HEADER ELECTRON TRANSPORT 02-MAY-02 1LMS TITLE STRUCTURAL MODEL FOR AN ALKALINE FORM OF FERRICYTOCHROME C COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C, ISO-1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALKALINE TRANSITION; CYTOCHROME C; NMR STRUCTURE, ELECTRON KEYWDS 2 TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.ASSFALG,I.BERTINI,A.DOLFI,P.TURANO,A.G.MAUK,F.I.ROSELL, AUTHOR 2 H.B.GRAY REVDAT 2 24-FEB-09 1LMS 1 VERSN REVDAT 1 18-MAR-03 1LMS 0 JRNL AUTH M.ASSFALG,I.BERTINI,A.DOLFI,P.TURANO,A.G.MAUK, JRNL AUTH 2 F.I.ROSELL,H.B.GRAY JRNL TITL STRUCTURAL MODEL FOR AN ALKALINE FORM OF JRNL TITL 2 FERRICYTOCHROME C JRNL REF J.AM.CHEM.SOC. V. 125 2913 2003 JRNL REFN ISSN 0002-7863 JRNL PMID 12617658 JRNL DOI 10.1021/JA027180S REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 6.0 REMARK 3 AUTHORS : CASE AND KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LMS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-MAY-02. REMARK 100 THE RCSB ID CODE IS RCSB016089. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 11.1 REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2MM PROTEIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, 3D_15N- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, CORMA REMARK 210 METHOD USED : SIMULATED ANNEALING IN REMARK 210 TORSION ANGLE SPACE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE COORDINATES OF RESIDUES -5 TO 8 ARE NOT INCLUDED, REMARK 210 ALTHOUGH PRESENT IN THE SEQUENCE, BECAUSE NO CONSTRAINTS WERE REMARK 210 AVAILABLE 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 THR A -4 REMARK 465 GLU A -3 REMARK 465 PHE A -2 REMARK 465 LYS A -1 REMARK 465 ALA A 0 REMARK 465 GLY A 1 REMARK 465 SER A 2 REMARK 465 ALA A 3 REMARK 465 LYS A 4 REMARK 465 LYS A 5 REMARK 465 GLY A 6 REMARK 465 ALA A 7 REMARK 465 THR A 8 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR A 74 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES REMARK 500 ILE A 75 CA - CB - CG2 ANGL. DEV. = 12.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 11 -41.73 -26.14 REMARK 500 CYS A 14 51.22 -144.93 REMARK 500 VAL A 20 -34.83 -136.44 REMARK 500 LYS A 22 114.74 70.09 REMARK 500 LYS A 27 -86.44 27.05 REMARK 500 VAL A 28 -124.04 -101.15 REMARK 500 HIS A 33 -19.63 61.59 REMARK 500 SER A 40 -178.17 56.01 REMARK 500 GLU A 44 9.43 -63.79 REMARK 500 TYR A 48 7.72 -58.64 REMARK 500 THR A 49 10.70 -37.95 REMARK 500 ASP A 50 44.49 -178.98 REMARK 500 ALA A 51 -96.50 179.74 REMARK 500 ASP A 60 82.23 -176.57 REMARK 500 GLU A 61 -153.33 -169.81 REMARK 500 ASN A 62 -56.96 -149.03 REMARK 500 PRO A 71 71.51 -69.18 REMARK 500 ALA A 72 -40.14 -141.64 REMARK 500 TYR A 74 90.43 -169.05 REMARK 500 ALA A 79 -164.68 67.19 REMARK 500 MET A 80 -61.71 -172.55 REMARK 500 ALA A 81 29.12 -72.68 REMARK 500 LYS A 86 -43.92 -155.54 REMARK 500 GLU A 88 -100.24 35.77 REMARK 500 LYS A 89 38.38 -172.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 HIS A 18 THR A 19 147.82 REMARK 500 GLU A 21 LYS A 22 139.75 REMARK 500 PRO A 25 HIS A 26 -142.13 REMARK 500 HIS A 26 LYS A 27 149.07 REMARK 500 LYS A 27 VAL A 28 -115.64 REMARK 500 TYR A 46 SER A 47 -121.93 REMARK 500 ASP A 60 GLU A 61 -143.14 REMARK 500 GLY A 77 THR A 78 -138.49 REMARK 500 ALA A 79 MET A 80 -129.26 REMARK 500 ALA A 81 PHE A 82 148.54 REMARK 500 PHE A 82 GLY A 83 118.74 REMARK 500 GLY A 84 LEU A 85 120.39 REMARK 500 LEU A 85 LYS A 86 -144.55 REMARK 500 LYS A 86 LYS A 87 -121.45 REMARK 500 LYS A 87 GLU A 88 149.94 REMARK 500 GLU A 88 LYS A 89 -138.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 38 0.14 SIDE_CHAIN REMARK 500 TYR A 46 0.11 SIDE_CHAIN REMARK 500 PHE A 82 0.17 SIDE_CHAIN REMARK 500 ARG A 91 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 118 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 18 NE2 REMARK 620 2 LYS A 73 NZ 169.6 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 118 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YIC RELATED DB: PDB REMARK 900 CONTAINS THE SOLUTION STRUCTURE OF THE NATIVE YEAST ISO-1- REMARK 900 FERRICYTOCHROME C DBREF 1LMS A -4 103 UNP P00044 CYC1_YEAST 1 108 SEQADV 1LMS ALA A 72 UNP P00044 LYS 77 ENGINEERED SEQADV 1LMS ALA A 79 UNP P00044 LYS 84 ENGINEERED SEQADV 1LMS THR A 102 UNP P00044 CYS 107 ENGINEERED SEQRES 1 A 108 THR GLU PHE LYS ALA GLY SER ALA LYS LYS GLY ALA THR SEQRES 2 A 108 LEU PHE LYS THR ARG CYS LEU GLN CYS HIS THR VAL GLU SEQRES 3 A 108 LYS GLY GLY PRO HIS LYS VAL GLY PRO ASN LEU HIS GLY SEQRES 4 A 108 ILE PHE GLY ARG HIS SER GLY GLN ALA GLU GLY TYR SER SEQRES 5 A 108 TYR THR ASP ALA ASN ILE LYS LYS ASN VAL LEU TRP ASP SEQRES 6 A 108 GLU ASN ASN MET SER GLU TYR LEU THR ASN PRO ALA LYS SEQRES 7 A 108 TYR ILE PRO GLY THR ALA MET ALA PHE GLY GLY LEU LYS SEQRES 8 A 108 LYS GLU LYS ASP ARG ASN ASP LEU ILE THR TYR LEU LYS SEQRES 9 A 108 LYS ALA THR GLU HET HEC A 118 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 LEU A 9 CYS A 14 1 6 HELIX 2 2 ALA A 51 ASN A 56 1 6 HELIX 3 3 ASN A 62 ASN A 70 1 9 HELIX 4 4 LYS A 89 GLU A 103 1 15 SHEET 1 A 2 ARG A 38 HIS A 39 0 SHEET 2 A 2 LEU A 58 TRP A 59 -1 O TRP A 59 N ARG A 38 LINK NE2 HIS A 18 FE HEC A 118 1555 1555 1.96 LINK SG CYS A 14 CAB HEC A 118 1555 1555 1.83 LINK SG CYS A 17 CAC HEC A 118 1555 1555 1.81 LINK NZ LYS A 73 FE HEC A 118 1555 1555 2.04 SITE 1 AC1 12 CYS A 14 GLN A 16 CYS A 17 HIS A 18 SITE 2 AC1 12 VAL A 28 LEU A 32 GLY A 41 TYR A 48 SITE 3 AC1 12 ASN A 52 TRP A 59 LYS A 73 PHE A 82 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 ATOM 1 N LEU A 9 1.782 -6.110 12.449 1.00 0.00 N ATOM 2 CA LEU A 9 2.568 -5.760 11.289 1.00 0.00 C ATOM 3 C LEU A 9 2.282 -4.342 10.840 1.00 0.00 C ATOM 4 O LEU A 9 2.995 -3.414 11.217 1.00 0.00 O ATOM 5 CB LEU A 9 2.242 -6.820 10.252 1.00 0.00 C ATOM 6 CG LEU A 9 2.846 -8.118 10.814 1.00 0.00 C ATOM 7 CD1 LEU A 9 1.801 -9.169 11.184 1.00 0.00 C ATOM 8 CD2 LEU A 9 3.778 -8.638 9.762 1.00 0.00 C ATOM 9 H LEU A 9 1.007 -6.734 12.307 1.00 0.00 H ATOM 10 HA LEU A 9 3.636 -5.788 11.508 1.00 0.00 H ATOM 11 HB2 LEU A 9 1.163 -6.927 10.121 1.00 0.00 H ATOM 12 HB3 LEU A 9 2.672 -6.535 9.289 1.00 0.00 H ATOM 13 HG LEU A 9 3.490 -7.941 11.677 1.00 0.00 H ATOM 14 HD11 LEU A 9 1.420 -8.973 12.184 1.00 0.00 H ATOM 15 HD12 LEU A 9 0.979 -9.146 10.471 1.00 0.00 H ATOM 16 HD13 LEU A 9 2.260 -10.158 11.174 1.00 0.00 H ATOM 17 HD21 LEU A 9 3.176 -8.927 8.908 1.00 0.00 H ATOM 18 HD22 LEU A 9 4.437 -7.816 9.503 1.00 0.00 H ATOM 19 HD23 LEU A 9 4.364 -9.477 10.134 1.00 0.00 H ATOM 20 N PHE A 10 1.213 -4.183 10.066 1.00 0.00 N ATOM 21 CA PHE A 10 0.765 -2.918 9.524 1.00 0.00 C ATOM 22 C PHE A 10 0.824 -1.794 10.579 1.00 0.00 C ATOM 23 O PHE A 10 1.471 -0.783 10.321 1.00 0.00 O ATOM 24 CB PHE A 10 -0.614 -3.193 8.934 1.00 0.00 C ATOM 25 CG PHE A 10 -1.197 -2.023 8.208 1.00 0.00 C ATOM 26 CD1 PHE A 10 -0.613 -1.560 7.010 1.00 0.00 C ATOM 27 CD2 PHE A 10 -2.303 -1.374 8.781 1.00 0.00 C ATOM 28 CE1 PHE A 10 -1.206 -0.463 6.356 1.00 0.00 C ATOM 29 CE2 PHE A 10 -2.815 -0.217 8.180 1.00 0.00 C ATOM 30 CZ PHE A 10 -2.293 0.208 6.948 1.00 0.00 C ATOM 31 H PHE A 10 0.698 -5.008 9.801 1.00 0.00 H ATOM 32 HA PHE A 10 1.432 -2.636 8.708 1.00 0.00 H ATOM 33 HB2 PHE A 10 -0.539 -4.006 8.212 1.00 0.00 H ATOM 34 HB3 PHE A 10 -1.294 -3.517 9.722 1.00 0.00 H ATOM 35 HD1 PHE A 10 0.304 -2.016 6.604 1.00 0.00 H ATOM 36 HD2 PHE A 10 -2.733 -1.766 9.695 1.00 0.00 H ATOM 37 HE1 PHE A 10 -0.744 -0.043 5.473 1.00 0.00 H ATOM 38 HE2 PHE A 10 -3.604 0.347 8.660 1.00 0.00 H ATOM 39 HZ PHE A 10 -2.705 1.084 6.484 1.00 0.00 H ATOM 40 N LYS A 11 0.301 -2.070 11.793 1.00 0.00 N ATOM 41 CA LYS A 11 0.476 -1.339 13.068 1.00 0.00 C ATOM 42 C LYS A 11 1.759 -0.528 13.233 1.00 0.00 C ATOM 43 O LYS A 11 1.726 0.555 13.807 1.00 0.00 O ATOM 44 CB LYS A 11 0.372 -2.286 14.263 1.00 0.00 C ATOM 45 CG LYS A 11 -1.033 -2.808 14.589 1.00 0.00 C ATOM 46 CD LYS A 11 -1.921 -1.765 15.278 1.00 0.00 C ATOM 47 CE LYS A 11 -3.222 -2.420 15.752 1.00 0.00 C ATOM 48 NZ LYS A 11 -4.042 -1.481 16.528 1.00 0.00 N ATOM 49 H LYS A 11 -0.209 -2.937 11.845 1.00 0.00 H ATOM 50 HA LYS A 11 -0.301 -0.625 13.234 1.00 0.00 H ATOM 51 HB2 LYS A 11 1.045 -3.122 14.091 1.00 0.00 H ATOM 52 HB3 LYS A 11 0.710 -1.728 15.137 1.00 0.00 H ATOM 53 HG2 LYS A 11 -1.522 -3.191 13.692 1.00 0.00 H ATOM 54 HG3 LYS A 11 -0.895 -3.622 15.299 1.00 0.00 H ATOM 55 HD2 LYS A 11 -1.398 -1.367 16.149 1.00 0.00 H ATOM 56 HD3 LYS A 11 -2.154 -0.948 14.595 1.00 0.00 H ATOM 57 HE2 LYS A 11 -3.800 -2.759 14.893 1.00 0.00 H ATOM 58 HE3 LYS A 11 -2.996 -3.274 16.389 1.00 0.00 H ATOM 59 HZ2 LYS A 11 -4.351 -0.731 15.928 1.00 0.00 H ATOM 60 HZ3 LYS A 11 -4.842 -1.970 16.901 1.00 0.00 H ATOM 61 N THR A 12 2.893 -1.071 12.810 1.00 0.00 N ATOM 62 CA THR A 12 4.185 -0.396 12.933 1.00 0.00 C ATOM 63 C THR A 12 4.942 -0.322 11.613 1.00 0.00 C ATOM 64 O THR A 12 5.608 0.678 11.367 1.00 0.00 O ATOM 65 CB THR A 12 5.044 -1.039 14.017 1.00 0.00 C ATOM 66 OG1 THR A 12 5.209 -2.404 13.711 1.00 0.00 O ATOM 67 CG2 THR A 12 4.382 -0.882 15.389 1.00 0.00 C ATOM 68 H THR A 12 2.822 -1.967 12.346 1.00 0.00 H ATOM 69 HA THR A 12 4.037 0.634 13.240 1.00 0.00 H ATOM 70 HB THR A 12 6.016 -0.540 14.040 1.00 0.00 H ATOM 71 HG1 THR A 12 4.329 -2.795 13.713 1.00 0.00 H ATOM 72 HG21 THR A 12 3.431 -1.413 15.428 1.00 0.00 H ATOM 73 HG22 THR A 12 4.198 0.175 15.592 1.00 0.00 H ATOM 74 HG23 THR A 12 5.040 -1.279 16.161 1.00 0.00 H ATOM 75 N ARG A 13 4.827 -1.342 10.754 1.00 0.00 N ATOM 76 CA ARG A 13 5.371 -1.316 9.401 1.00 0.00 C ATOM 77 C ARG A 13 4.955 -0.029 8.704 1.00 0.00 C ATOM 78 O ARG A 13 5.783 0.811 8.350 1.00 0.00 O ATOM 79 CB ARG A 13 4.820 -2.507 8.580 1.00 0.00 C ATOM 80 CG ARG A 13 5.823 -3.642 8.417 1.00 0.00 C ATOM 81 CD ARG A 13 6.024 -4.404 9.723 1.00 0.00 C ATOM 82 NE ARG A 13 7.408 -4.899 9.794 1.00 0.00 N ATOM 83 CZ ARG A 13 8.293 -4.646 10.768 1.00 0.00 C ATOM 84 NH1 ARG A 13 7.974 -3.942 11.853 1.00 0.00 N ATOM 85 NH2 ARG A 13 9.530 -5.106 10.664 1.00 0.00 N ATOM 86 H ARG A 13 4.256 -2.133 11.016 1.00 0.00 H ATOM 87 HA ARG A 13 6.461 -1.344 9.437 1.00 0.00 H ATOM 88 HB2 ARG A 13 3.885 -2.879 8.990 1.00 0.00 H ATOM 89 HB3 ARG A 13 4.601 -2.187 7.563 1.00 0.00 H ATOM 90 HG2 ARG A 13 5.464 -4.329 7.650 1.00 0.00 H ATOM 91 HG3 ARG A 13 6.760 -3.212 8.064 1.00 0.00 H ATOM 92 HD2 ARG A 13 5.764 -3.755 10.555 1.00 0.00 H ATOM 93 HD3 ARG A 13 5.339 -5.254 9.745 1.00 0.00 H ATOM 94 HE ARG A 13 7.728 -5.412 8.963 1.00 0.00 H ATOM 95 HH11 ARG A 13 7.035 -3.600 11.984 1.00 0.00 H ATOM 96 HH12 ARG A 13 8.656 -3.766 12.571 1.00 0.00 H ATOM 97 HH21 ARG A 13 9.760 -5.674 9.864 1.00 0.00 H ATOM 98 HH22 ARG A 13 10.220 -4.913 11.370 1.00 0.00 H ATOM 99 N CYS A 14 3.647 0.087 8.487 1.00 0.00 N ATOM 100 CA CYS A 14 3.084 0.951 7.472 1.00 0.00 C ATOM 101 C CYS A 14 1.764 1.514 8.020 1.00 0.00 C ATOM 102 O CYS A 14 0.732 1.452 7.375 1.00 0.00 O ATOM 103 CB CYS A 14 3.035 0.184 6.151 1.00 0.00 C ATOM 104 SG CYS A 14 4.757 -0.185 5.632 1.00 0.00 S ATOM 105 H CYS A 14 3.016 -0.562 8.946 1.00 0.00 H ATOM 106 HA CYS A 14 3.723 1.820 7.322 1.00 0.00 H ATOM 107 HB2 CYS A 14 2.467 -0.740 6.258 1.00 0.00 H ATOM 108 HB3 CYS A 14 2.556 0.809 5.399 1.00 0.00 H ATOM 109 N LEU A 15 1.824 2.076 9.237 1.00 0.00 N ATOM 110 CA LEU A 15 0.769 2.771 9.946 1.00 0.00 C ATOM 111 C LEU A 15 1.019 4.286 9.875 1.00 0.00 C ATOM 112 O LEU A 15 0.077 5.058 9.752 1.00 0.00 O ATOM 113 CB LEU A 15 0.830 2.217 11.381 1.00 0.00 C ATOM 114 CG LEU A 15 -0.120 2.780 12.439 1.00 0.00 C ATOM 115 CD1 LEU A 15 0.307 4.173 12.886 1.00 0.00 C ATOM 116 CD2 LEU A 15 -1.562 2.655 11.968 1.00 0.00 C ATOM 117 H LEU A 15 2.644 1.957 9.802 1.00 0.00 H ATOM 118 HA LEU A 15 -0.201 2.544 9.502 1.00 0.00 H ATOM 119 HB2 LEU A 15 0.581 1.164 11.318 1.00 0.00 H ATOM 120 HB3 LEU A 15 1.851 2.299 11.757 1.00 0.00 H ATOM 121 HG LEU A 15 -0.038 2.152 13.325 1.00 0.00 H ATOM 122 HD11 LEU A 15 -0.149 4.397 13.849 1.00 0.00 H ATOM 123 HD12 LEU A 15 1.396 4.164 12.974 1.00 0.00 H ATOM 124 HD13 LEU A 15 0.007 4.932 12.172 1.00 0.00 H ATOM 125 HD21 LEU A 15 -1.741 1.599 11.753 1.00 0.00 H ATOM 126 HD22 LEU A 15 -2.237 2.983 12.757 1.00 0.00 H ATOM 127 HD23 LEU A 15 -1.717 3.250 11.069 1.00 0.00 H ATOM 128 N GLN A 16 2.290 4.717 9.959 1.00 0.00 N ATOM 129 CA GLN A 16 2.685 6.126 10.078 1.00 0.00 C ATOM 130 C GLN A 16 1.929 7.024 9.099 1.00 0.00 C ATOM 131 O GLN A 16 1.311 8.014 9.487 1.00 0.00 O ATOM 132 CB GLN A 16 4.187 6.309 9.814 1.00 0.00 C ATOM 133 CG GLN A 16 5.112 5.414 10.649 1.00 0.00 C ATOM 134 CD GLN A 16 5.687 4.296 9.786 1.00 0.00 C ATOM 135 OE1 GLN A 16 6.591 4.520 8.991 1.00 0.00 O ATOM 136 NE2 GLN A 16 5.151 3.091 9.891 1.00 0.00 N ATOM 137 H GLN A 16 3.015 4.020 9.985 1.00 0.00 H ATOM 138 HA GLN A 16 2.461 6.461 11.092 1.00 0.00 H ATOM 139 HB2 GLN A 16 4.397 6.137 8.756 1.00 0.00 H ATOM 140 HB3 GLN A 16 4.431 7.352 10.023 1.00 0.00 H ATOM 141 HG2 GLN A 16 5.949 6.021 10.996 1.00 0.00 H ATOM 142 HG3 GLN A 16 4.591 5.018 11.520 1.00 0.00 H ATOM 143 HE21 GLN A 16 4.580 2.837 10.678 1.00 0.00 H ATOM 144 HE22 GLN A 16 5.554 2.361 9.307 1.00 0.00 H ATOM 145 N CYS A 17 2.015 6.662 7.819 1.00 0.00 N ATOM 146 CA CYS A 17 1.249 7.303 6.778 1.00 0.00 C ATOM 147 C CYS A 17 -0.152 6.697 6.711 1.00 0.00 C ATOM 148 O CYS A 17 -1.146 7.375 6.952 1.00 0.00 O ATOM 149 CB CYS A 17 1.927 7.132 5.454 1.00 0.00 C ATOM 150 SG CYS A 17 3.301 8.279 5.221 1.00 0.00 S ATOM 151 H CYS A 17 2.548 5.840 7.586 1.00 0.00 H ATOM 152 HA CYS A 17 1.216 8.360 7.000 1.00 0.00 H ATOM 153 HB2 CYS A 17 2.219 6.091 5.353 1.00 0.00 H ATOM 154 HB3 CYS A 17 1.228 7.364 4.658 1.00 0.00 H ATOM 155 N HIS A 18 -0.213 5.445 6.262 1.00 0.00 N ATOM 156 CA HIS A 18 -1.434 4.780 5.867 1.00 0.00 C ATOM 157 C HIS A 18 -2.529 4.776 6.909 1.00 0.00 C ATOM 158 O HIS A 18 -2.315 4.910 8.110 1.00 0.00 O ATOM 159 CB HIS A 18 -1.112 3.362 5.430 1.00 0.00 C ATOM 160 CG HIS A 18 -0.594 3.344 4.040 1.00 0.00 C ATOM 161 ND1 HIS A 18 -1.335 3.729 2.953 1.00 0.00 N ATOM 162 CD2 HIS A 18 0.713 3.206 3.668 1.00 0.00 C ATOM 163 CE1 HIS A 18 -0.477 3.817 1.936 1.00 0.00 C ATOM 164 NE2 HIS A 18 0.778 3.501 2.305 1.00 0.00 N ATOM 165 H HIS A 18 0.655 4.977 6.062 1.00 0.00 H ATOM 166 HA HIS A 18 -1.865 5.260 5.003 1.00 0.00 H ATOM 167 HB2 HIS A 18 -0.396 2.939 6.120 1.00 0.00 H ATOM 168 HB3 HIS A 18 -2.012 2.759 5.415 1.00 0.00 H ATOM 169 HD1 HIS A 18 -2.320 3.986 2.936 1.00 0.00 H ATOM 170 HD2 HIS A 18 1.536 2.974 4.330 1.00 0.00 H ATOM 171 HE1 HIS A 18 -0.795 4.130 0.963 1.00 0.00 H ATOM 172 N THR A 19 -3.718 4.450 6.415 1.00 0.00 N ATOM 173 CA THR A 19 -4.639 3.741 7.265 1.00 0.00 C ATOM 174 C THR A 19 -5.257 2.516 6.579 1.00 0.00 C ATOM 175 O THR A 19 -4.771 2.040 5.553 1.00 0.00 O ATOM 176 CB THR A 19 -5.574 4.752 7.975 1.00 0.00 C ATOM 177 OG1 THR A 19 -6.623 4.104 8.657 1.00 0.00 O ATOM 178 CG2 THR A 19 -6.149 5.849 7.066 1.00 0.00 C ATOM 179 H THR A 19 -3.825 4.383 5.415 1.00 0.00 H ATOM 180 HA THR A 19 -3.995 3.247 7.980 1.00 0.00 H ATOM 181 HB THR A 19 -4.974 5.272 8.725 1.00 0.00 H ATOM 182 HG1 THR A 19 -7.459 4.536 8.436 1.00 0.00 H ATOM 183 HG21 THR A 19 -6.957 6.377 7.575 1.00 0.00 H ATOM 184 HG22 THR A 19 -5.369 6.571 6.821 1.00 0.00 H ATOM 185 HG23 THR A 19 -6.522 5.442 6.137 1.00 0.00 H ATOM 186 N VAL A 20 -6.296 1.955 7.180 1.00 0.00 N ATOM 187 CA VAL A 20 -7.007 0.770 6.722 1.00 0.00 C ATOM 188 C VAL A 20 -8.523 0.970 6.844 1.00 0.00 C ATOM 189 O VAL A 20 -9.277 0.535 5.977 1.00 0.00 O ATOM 190 CB VAL A 20 -6.456 -0.446 7.482 1.00 0.00 C ATOM 191 CG1 VAL A 20 -6.690 -0.365 8.997 1.00 0.00 C ATOM 192 CG2 VAL A 20 -6.993 -1.763 6.920 1.00 0.00 C ATOM 193 H VAL A 20 -6.587 2.417 8.032 1.00 0.00 H ATOM 194 HA VAL A 20 -6.807 0.613 5.661 1.00 0.00 H ATOM 195 HB VAL A 20 -5.381 -0.456 7.310 1.00 0.00 H ATOM 196 HG11 VAL A 20 -6.295 0.568 9.400 1.00 0.00 H ATOM 197 HG12 VAL A 20 -6.174 -1.193 9.484 1.00 0.00 H ATOM 198 HG13 VAL A 20 -7.753 -0.433 9.224 1.00 0.00 H ATOM 199 HG21 VAL A 20 -8.065 -1.849 7.097 1.00 0.00 H ATOM 200 HG22 VAL A 20 -6.798 -1.806 5.849 1.00 0.00 H ATOM 201 HG23 VAL A 20 -6.479 -2.594 7.404 1.00 0.00 H ATOM 202 N GLU A 21 -8.949 1.695 7.885 1.00 0.00 N ATOM 203 CA GLU A 21 -10.326 2.090 8.144 1.00 0.00 C ATOM 204 C GLU A 21 -10.394 3.608 8.412 1.00 0.00 C ATOM 205 O GLU A 21 -9.361 4.274 8.518 1.00 0.00 O ATOM 206 CB GLU A 21 -10.795 1.268 9.359 1.00 0.00 C ATOM 207 CG GLU A 21 -12.317 1.059 9.441 1.00 0.00 C ATOM 208 CD GLU A 21 -12.713 0.269 10.685 1.00 0.00 C ATOM 209 OE1 GLU A 21 -12.175 -0.845 10.844 1.00 0.00 O ATOM 210 OE2 GLU A 21 -13.529 0.806 11.466 1.00 0.00 O ATOM 211 H GLU A 21 -8.269 2.039 8.544 1.00 0.00 H ATOM 212 HA GLU A 21 -10.957 1.854 7.286 1.00 0.00 H ATOM 213 HB2 GLU A 21 -10.352 0.271 9.302 1.00 0.00 H ATOM 214 HB3 GLU A 21 -10.434 1.725 10.282 1.00 0.00 H ATOM 215 HG2 GLU A 21 -12.856 2.000 9.476 1.00 0.00 H ATOM 216 HG3 GLU A 21 -12.650 0.491 8.574 1.00 0.00 H ATOM 217 N LYS A 22 -11.622 4.112 8.573 1.00 0.00 N ATOM 218 CA LYS A 22 -12.004 5.131 9.557 1.00 0.00 C ATOM 219 C LYS A 22 -11.499 6.554 9.356 1.00 0.00 C ATOM 220 O LYS A 22 -10.320 6.846 9.535 1.00 0.00 O ATOM 221 CB LYS A 22 -11.666 4.661 10.978 1.00 0.00 C ATOM 222 CG LYS A 22 -12.957 4.233 11.663 1.00 0.00 C ATOM 223 CD LYS A 22 -12.635 3.461 12.935 1.00 0.00 C ATOM 224 CE LYS A 22 -13.950 3.071 13.611 1.00 0.00 C ATOM 225 NZ LYS A 22 -13.939 1.656 13.983 1.00 0.00 N ATOM 226 H LYS A 22 -12.361 3.482 8.302 1.00 0.00 H ATOM 227 HA LYS A 22 -13.089 5.200 9.477 1.00 0.00 H ATOM 228 HB2 LYS A 22 -10.955 3.837 10.965 1.00 0.00 H ATOM 229 HB3 LYS A 22 -11.225 5.467 11.567 1.00 0.00 H ATOM 230 HG2 LYS A 22 -13.547 5.120 11.900 1.00 0.00 H ATOM 231 HG3 LYS A 22 -13.531 3.587 10.998 1.00 0.00 H ATOM 232 HD2 LYS A 22 -12.062 2.574 12.660 1.00 0.00 H ATOM 233 HD3 LYS A 22 -12.030 4.073 13.605 1.00 0.00 H ATOM 234 HE2 LYS A 22 -14.101 3.695 14.491 1.00 0.00 H ATOM 235 HE3 LYS A 22 -14.789 3.219 12.930 1.00 0.00 H ATOM 236 HZ2 LYS A 22 -13.082 1.465 14.473 1.00 0.00 H ATOM 237 HZ3 LYS A 22 -13.869 1.171 13.068 1.00 0.00 H ATOM 238 N GLY A 23 -12.438 7.473 9.111 1.00 0.00 N ATOM 239 CA GLY A 23 -12.192 8.905 9.131 1.00 0.00 C ATOM 240 C GLY A 23 -11.409 9.375 7.905 1.00 0.00 C ATOM 241 O GLY A 23 -11.876 10.231 7.162 1.00 0.00 O ATOM 242 H GLY A 23 -13.395 7.173 9.003 1.00 0.00 H ATOM 243 HA2 GLY A 23 -13.146 9.432 9.170 1.00 0.00 H ATOM 244 HA3 GLY A 23 -11.640 9.154 10.038 1.00 0.00 H ATOM 245 N GLY A 24 -10.180 8.868 7.752 1.00 0.00 N ATOM 246 CA GLY A 24 -9.161 9.386 6.851 1.00 0.00 C ATOM 247 C GLY A 24 -9.133 10.918 6.824 1.00 0.00 C ATOM 248 O GLY A 24 -9.088 11.492 5.739 1.00 0.00 O ATOM 249 H GLY A 24 -9.899 8.151 8.410 1.00 0.00 H ATOM 250 HA2 GLY A 24 -8.186 9.014 7.169 1.00 0.00 H ATOM 251 HA3 GLY A 24 -9.363 9.011 5.847 1.00 0.00 H ATOM 252 N PRO A 25 -9.177 11.596 7.990 1.00 0.00 N ATOM 253 CA PRO A 25 -9.432 13.030 8.044 1.00 0.00 C ATOM 254 C PRO A 25 -8.383 13.849 7.300 1.00 0.00 C ATOM 255 O PRO A 25 -8.669 14.924 6.781 1.00 0.00 O ATOM 256 CB PRO A 25 -9.416 13.408 9.534 1.00 0.00 C ATOM 257 CG PRO A 25 -8.789 12.218 10.264 1.00 0.00 C ATOM 258 CD PRO A 25 -9.056 11.042 9.335 1.00 0.00 C ATOM 259 HA PRO A 25 -10.413 13.245 7.619 1.00 0.00 H ATOM 260 HB2 PRO A 25 -8.843 14.319 9.721 1.00 0.00 H ATOM 261 HB3 PRO A 25 -10.440 13.550 9.878 1.00 0.00 H ATOM 262 HG2 PRO A 25 -7.716 12.346 10.383 1.00 0.00 H ATOM 263 HG3 PRO A 25 -9.242 12.069 11.246 1.00 0.00 H ATOM 264 HD2 PRO A 25 -8.268 10.292 9.420 1.00 0.00 H ATOM 265 HD3 PRO A 25 -10.003 10.626 9.663 1.00 0.00 H ATOM 266 N HIS A 26 -7.139 13.386 7.387 1.00 0.00 N ATOM 267 CA HIS A 26 -5.989 14.257 7.503 1.00 0.00 C ATOM 268 C HIS A 26 -4.911 13.934 6.466 1.00 0.00 C ATOM 269 O HIS A 26 -5.017 12.981 5.699 1.00 0.00 O ATOM 270 CB HIS A 26 -5.442 14.056 8.932 1.00 0.00 C ATOM 271 CG HIS A 26 -5.400 15.289 9.794 1.00 0.00 C ATOM 272 ND1 HIS A 26 -5.917 15.379 11.067 1.00 0.00 N ATOM 273 CD2 HIS A 26 -4.835 16.500 9.490 1.00 0.00 C ATOM 274 CE1 HIS A 26 -5.679 16.624 11.512 1.00 0.00 C ATOM 275 NE2 HIS A 26 -5.022 17.341 10.588 1.00 0.00 N ATOM 276 H HIS A 26 -7.018 12.442 7.716 1.00 0.00 H ATOM 277 HA HIS A 26 -6.290 15.297 7.365 1.00 0.00 H ATOM 278 HB2 HIS A 26 -6.070 13.345 9.462 1.00 0.00 H ATOM 279 HB3 HIS A 26 -4.458 13.597 8.918 1.00 0.00 H ATOM 280 HD1 HIS A 26 -6.389 14.647 11.574 1.00 0.00 H ATOM 281 HD2 HIS A 26 -4.342 16.772 8.571 1.00 0.00 H ATOM 282 HE1 HIS A 26 -5.977 16.996 12.481 1.00 0.00 H ATOM 283 N LYS A 27 -3.824 14.700 6.563 1.00 0.00 N ATOM 284 CA LYS A 27 -2.456 14.324 6.232 1.00 0.00 C ATOM 285 C LYS A 27 -2.254 13.230 5.172 1.00 0.00 C ATOM 286 O LYS A 27 -1.874 13.533 4.047 1.00 0.00 O ATOM 287 CB LYS A 27 -1.778 13.906 7.543 1.00 0.00 C ATOM 288 CG LYS A 27 -1.171 15.024 8.378 1.00 0.00 C ATOM 289 CD LYS A 27 -0.637 14.391 9.671 1.00 0.00 C ATOM 290 CE LYS A 27 0.162 15.409 10.480 1.00 0.00 C ATOM 291 NZ LYS A 27 -0.699 16.497 10.958 1.00 0.00 N ATOM 292 H LYS A 27 -3.902 15.465 7.211 1.00 0.00 H ATOM 293 HA LYS A 27 -1.940 15.199 5.837 1.00 0.00 H ATOM 294 HB2 LYS A 27 -2.482 13.363 8.164 1.00 0.00 H ATOM 295 HB3 LYS A 27 -0.956 13.252 7.310 1.00 0.00 H ATOM 296 HG2 LYS A 27 -0.350 15.471 7.816 1.00 0.00 H ATOM 297 HG3 LYS A 27 -1.925 15.778 8.601 1.00 0.00 H ATOM 298 HD2 LYS A 27 -1.467 14.015 10.271 1.00 0.00 H ATOM 299 HD3 LYS A 27 0.022 13.556 9.429 1.00 0.00 H ATOM 300 HE2 LYS A 27 0.611 14.916 11.342 1.00 0.00 H ATOM 301 HE3 LYS A 27 0.951 15.827 9.857 1.00 0.00 H ATOM 302 HZ2 LYS A 27 -1.319 16.135 11.669 1.00 0.00 H ATOM 303 HZ3 LYS A 27 -0.117 17.217 11.359 1.00 0.00 H ATOM 304 N VAL A 28 -2.272 11.969 5.613 1.00 0.00 N ATOM 305 CA VAL A 28 -1.056 11.158 5.504 1.00 0.00 C ATOM 306 C VAL A 28 -1.105 10.182 4.309 1.00 0.00 C ATOM 307 O VAL A 28 -1.309 10.601 3.173 1.00 0.00 O ATOM 308 CB VAL A 28 -0.667 10.568 6.892 1.00 0.00 C ATOM 309 CG1 VAL A 28 0.645 11.136 7.466 1.00 0.00 C ATOM 310 CG2 VAL A 28 -1.789 10.361 7.930 1.00 0.00 C ATOM 311 H VAL A 28 -2.870 11.784 6.401 1.00 0.00 H ATOM 312 HA VAL A 28 -0.237 11.823 5.231 1.00 0.00 H ATOM 313 HB VAL A 28 -0.360 9.563 6.751 1.00 0.00 H ATOM 314 HG11 VAL A 28 1.481 10.656 6.957 1.00 0.00 H ATOM 315 HG12 VAL A 28 0.771 12.202 7.318 1.00 0.00 H ATOM 316 HG13 VAL A 28 0.720 10.909 8.530 1.00 0.00 H ATOM 317 HG21 VAL A 28 -2.299 11.274 8.207 1.00 0.00 H ATOM 318 HG22 VAL A 28 -1.368 9.929 8.839 1.00 0.00 H ATOM 319 HG23 VAL A 28 -2.523 9.655 7.538 1.00 0.00 H ATOM 320 N GLY A 29 -0.931 8.878 4.521 1.00 0.00 N ATOM 321 CA GLY A 29 -1.265 7.878 3.534 1.00 0.00 C ATOM 322 C GLY A 29 -2.720 7.570 3.808 1.00 0.00 C ATOM 323 O GLY A 29 -3.058 7.162 4.918 1.00 0.00 O ATOM 324 H GLY A 29 -0.940 8.528 5.470 1.00 0.00 H ATOM 325 HA2 GLY A 29 -1.091 8.216 2.516 1.00 0.00 H ATOM 326 HA3 GLY A 29 -0.694 6.965 3.695 1.00 0.00 H ATOM 327 N PRO A 30 -3.631 7.790 2.868 1.00 0.00 N ATOM 328 CA PRO A 30 -4.962 7.318 3.098 1.00 0.00 C ATOM 329 C PRO A 30 -5.001 5.823 2.902 1.00 0.00 C ATOM 330 O PRO A 30 -4.040 5.170 2.477 1.00 0.00 O ATOM 331 CB PRO A 30 -5.839 8.118 2.133 1.00 0.00 C ATOM 332 CG PRO A 30 -4.888 8.318 0.947 1.00 0.00 C ATOM 333 CD PRO A 30 -3.504 8.448 1.586 1.00 0.00 C ATOM 334 HA PRO A 30 -5.220 7.387 4.157 1.00 0.00 H ATOM 335 HB2 PRO A 30 -6.760 7.603 1.855 1.00 0.00 H ATOM 336 HB3 PRO A 30 -6.067 9.085 2.583 1.00 0.00 H ATOM 337 HG2 PRO A 30 -4.913 7.421 0.329 1.00 0.00 H ATOM 338 HG3 PRO A 30 -5.140 9.195 0.354 1.00 0.00 H ATOM 339 HD2 PRO A 30 -2.753 7.972 0.956 1.00 0.00 H ATOM 340 HD3 PRO A 30 -3.261 9.501 1.740 1.00 0.00 H ATOM 341 N ASN A 31 -6.104 5.273 3.390 1.00 0.00 N ATOM 342 CA ASN A 31 -6.189 3.854 3.574 1.00 0.00 C ATOM 343 C ASN A 31 -6.295 3.143 2.239 1.00 0.00 C ATOM 344 O ASN A 31 -6.875 3.640 1.276 1.00 0.00 O ATOM 345 CB ASN A 31 -7.438 3.489 4.411 1.00 0.00 C ATOM 346 CG ASN A 31 -8.680 4.298 4.030 1.00 0.00 C ATOM 347 OD1 ASN A 31 -9.304 4.068 3.004 1.00 0.00 O ATOM 348 ND2 ASN A 31 -9.059 5.273 4.850 1.00 0.00 N ATOM 349 H ASN A 31 -6.846 5.873 3.720 1.00 0.00 H ATOM 350 HA ASN A 31 -5.179 3.603 3.996 1.00 0.00 H ATOM 351 HB2 ASN A 31 -7.680 2.437 4.261 1.00 0.00 H ATOM 352 HB3 ASN A 31 -7.279 3.630 5.469 1.00 0.00 H ATOM 353 HD21 ASN A 31 -8.618 5.416 5.744 1.00 0.00 H ATOM 354 HD22 ASN A 31 -9.876 5.801 4.584 1.00 0.00 H ATOM 355 N LEU A 32 -5.719 1.945 2.236 1.00 0.00 N ATOM 356 CA LEU A 32 -5.709 1.148 1.008 1.00 0.00 C ATOM 357 C LEU A 32 -7.024 0.390 0.800 1.00 0.00 C ATOM 358 O LEU A 32 -7.470 0.251 -0.336 1.00 0.00 O ATOM 359 CB LEU A 32 -4.458 0.268 1.019 1.00 0.00 C ATOM 360 CG LEU A 32 -3.203 1.116 1.319 1.00 0.00 C ATOM 361 CD1 LEU A 32 -1.912 0.299 1.240 1.00 0.00 C ATOM 362 CD2 LEU A 32 -3.114 2.306 0.354 1.00 0.00 C ATOM 363 H LEU A 32 -5.166 1.706 3.052 1.00 0.00 H ATOM 364 HA LEU A 32 -5.636 1.812 0.145 1.00 0.00 H ATOM 365 HB2 LEU A 32 -4.563 -0.513 1.774 1.00 0.00 H ATOM 366 HB3 LEU A 32 -4.371 -0.190 0.036 1.00 0.00 H ATOM 367 HG LEU A 32 -3.250 1.489 2.343 1.00 0.00 H ATOM 368 HD11 LEU A 32 -2.056 -0.679 1.700 1.00 0.00 H ATOM 369 HD12 LEU A 32 -1.608 0.186 0.203 1.00 0.00 H ATOM 370 HD13 LEU A 32 -1.120 0.825 1.774 1.00 0.00 H ATOM 371 HD21 LEU A 32 -3.527 2.047 -0.621 1.00 0.00 H ATOM 372 HD22 LEU A 32 -3.655 3.160 0.761 1.00 0.00 H ATOM 373 HD23 LEU A 32 -2.078 2.580 0.200 1.00 0.00 H ATOM 374 N HIS A 33 -7.650 -0.105 1.877 1.00 0.00 N ATOM 375 CA HIS A 33 -8.972 -0.747 1.871 1.00 0.00 C ATOM 376 C HIS A 33 -9.097 -2.033 1.024 1.00 0.00 C ATOM 377 O HIS A 33 -10.027 -2.796 1.252 1.00 0.00 O ATOM 378 CB HIS A 33 -10.077 0.293 1.577 1.00 0.00 C ATOM 379 CG HIS A 33 -11.360 -0.283 1.018 1.00 0.00 C ATOM 380 ND1 HIS A 33 -12.240 -1.115 1.679 1.00 0.00 N ATOM 381 CD2 HIS A 33 -11.663 -0.352 -0.316 1.00 0.00 C ATOM 382 CE1 HIS A 33 -13.045 -1.671 0.755 1.00 0.00 C ATOM 383 NE2 HIS A 33 -12.739 -1.227 -0.476 1.00 0.00 N ATOM 384 H HIS A 33 -7.220 0.060 2.774 1.00 0.00 H ATOM 385 HA HIS A 33 -9.149 -1.091 2.891 1.00 0.00 H ATOM 386 HB2 HIS A 33 -10.307 0.828 2.500 1.00 0.00 H ATOM 387 HB3 HIS A 33 -9.714 1.025 0.856 1.00 0.00 H ATOM 388 HD1 HIS A 33 -12.208 -1.365 2.656 1.00 0.00 H ATOM 389 HD2 HIS A 33 -11.088 0.091 -1.113 1.00 0.00 H ATOM 390 HE1 HIS A 33 -13.799 -2.416 0.968 1.00 0.00 H ATOM 391 N GLY A 34 -8.216 -2.306 0.059 1.00 0.00 N ATOM 392 CA GLY A 34 -8.390 -3.424 -0.856 1.00 0.00 C ATOM 393 C GLY A 34 -7.460 -3.326 -2.059 1.00 0.00 C ATOM 394 O GLY A 34 -7.640 -2.465 -2.917 1.00 0.00 O ATOM 395 H GLY A 34 -7.513 -1.612 -0.157 1.00 0.00 H ATOM 396 HA2 GLY A 34 -8.209 -4.360 -0.328 1.00 0.00 H ATOM 397 HA3 GLY A 34 -9.409 -3.409 -1.238 1.00 0.00 H ATOM 398 N ILE A 35 -6.474 -4.221 -2.118 1.00 0.00 N ATOM 399 CA ILE A 35 -5.377 -4.220 -3.084 1.00 0.00 C ATOM 400 C ILE A 35 -5.511 -5.411 -4.054 1.00 0.00 C ATOM 401 O ILE A 35 -4.539 -6.012 -4.495 1.00 0.00 O ATOM 402 CB ILE A 35 -4.085 -4.139 -2.228 1.00 0.00 C ATOM 403 CG1 ILE A 35 -3.772 -2.663 -1.935 1.00 0.00 C ATOM 404 CG2 ILE A 35 -2.796 -4.701 -2.843 1.00 0.00 C ATOM 405 CD1 ILE A 35 -3.075 -2.536 -0.576 1.00 0.00 C ATOM 406 H ILE A 35 -6.434 -4.928 -1.397 1.00 0.00 H ATOM 407 HA ILE A 35 -5.468 -3.344 -3.726 1.00 0.00 H ATOM 408 HB ILE A 35 -4.288 -4.678 -1.283 1.00 0.00 H ATOM 409 HG12 ILE A 35 -3.117 -2.268 -2.714 1.00 0.00 H ATOM 410 HG13 ILE A 35 -4.672 -2.048 -1.949 1.00 0.00 H ATOM 411 HG21 ILE A 35 -1.911 -4.323 -2.333 1.00 0.00 H ATOM 412 HG22 ILE A 35 -2.798 -5.781 -2.726 1.00 0.00 H ATOM 413 HG23 ILE A 35 -2.720 -4.410 -3.892 1.00 0.00 H ATOM 414 HD11 ILE A 35 -3.795 -2.674 0.228 1.00 0.00 H ATOM 415 HD12 ILE A 35 -2.267 -3.256 -0.447 1.00 0.00 H ATOM 416 HD13 ILE A 35 -2.653 -1.543 -0.510 1.00 0.00 H ATOM 417 N PHE A 36 -6.756 -5.745 -4.400 1.00 0.00 N ATOM 418 CA PHE A 36 -7.113 -6.969 -5.119 1.00 0.00 C ATOM 419 C PHE A 36 -8.120 -6.625 -6.219 1.00 0.00 C ATOM 420 O PHE A 36 -9.331 -6.711 -6.030 1.00 0.00 O ATOM 421 CB PHE A 36 -7.647 -8.010 -4.120 1.00 0.00 C ATOM 422 CG PHE A 36 -6.970 -7.955 -2.764 1.00 0.00 C ATOM 423 CD1 PHE A 36 -5.606 -8.275 -2.655 1.00 0.00 C ATOM 424 CD2 PHE A 36 -7.652 -7.404 -1.663 1.00 0.00 C ATOM 425 CE1 PHE A 36 -4.933 -8.075 -1.440 1.00 0.00 C ATOM 426 CE2 PHE A 36 -6.991 -7.242 -0.435 1.00 0.00 C ATOM 427 CZ PHE A 36 -5.634 -7.596 -0.322 1.00 0.00 C ATOM 428 H PHE A 36 -7.497 -5.182 -4.017 1.00 0.00 H ATOM 429 HA PHE A 36 -6.232 -7.399 -5.602 1.00 0.00 H ATOM 430 HB2 PHE A 36 -8.717 -7.868 -3.968 1.00 0.00 H ATOM 431 HB3 PHE A 36 -7.511 -9.005 -4.546 1.00 0.00 H ATOM 432 HD1 PHE A 36 -5.062 -8.627 -3.521 1.00 0.00 H ATOM 433 HD2 PHE A 36 -8.698 -7.146 -1.748 1.00 0.00 H ATOM 434 HE1 PHE A 36 -3.888 -8.329 -1.363 1.00 0.00 H ATOM 435 HE2 PHE A 36 -7.553 -6.910 0.427 1.00 0.00 H ATOM 436 HZ PHE A 36 -5.142 -7.587 0.634 1.00 0.00 H ATOM 437 N GLY A 37 -7.601 -6.123 -7.334 1.00 0.00 N ATOM 438 CA GLY A 37 -8.375 -5.464 -8.379 1.00 0.00 C ATOM 439 C GLY A 37 -8.514 -3.979 -8.073 1.00 0.00 C ATOM 440 O GLY A 37 -9.555 -3.381 -8.333 1.00 0.00 O ATOM 441 H GLY A 37 -6.588 -6.058 -7.375 1.00 0.00 H ATOM 442 HA2 GLY A 37 -7.852 -5.535 -9.333 1.00 0.00 H ATOM 443 HA3 GLY A 37 -9.362 -5.914 -8.484 1.00 0.00 H ATOM 444 N ARG A 38 -7.446 -3.377 -7.537 1.00 0.00 N ATOM 445 CA ARG A 38 -7.346 -1.929 -7.435 1.00 0.00 C ATOM 446 C ARG A 38 -6.595 -1.395 -8.650 1.00 0.00 C ATOM 447 O ARG A 38 -5.843 -2.120 -9.295 1.00 0.00 O ATOM 448 CB ARG A 38 -6.717 -1.540 -6.080 1.00 0.00 C ATOM 449 CG ARG A 38 -6.992 -0.099 -5.628 1.00 0.00 C ATOM 450 CD ARG A 38 -8.502 0.151 -5.643 1.00 0.00 C ATOM 451 NE ARG A 38 -8.958 1.006 -4.537 1.00 0.00 N ATOM 452 CZ ARG A 38 -10.144 0.890 -3.933 1.00 0.00 C ATOM 453 NH1 ARG A 38 -10.785 -0.272 -3.869 1.00 0.00 N ATOM 454 NH2 ARG A 38 -10.702 1.974 -3.418 1.00 0.00 N ATOM 455 H ARG A 38 -6.603 -3.930 -7.402 1.00 0.00 H ATOM 456 HA ARG A 38 -8.346 -1.511 -7.503 1.00 0.00 H ATOM 457 HB2 ARG A 38 -7.134 -2.204 -5.325 1.00 0.00 H ATOM 458 HB3 ARG A 38 -5.644 -1.691 -6.077 1.00 0.00 H ATOM 459 HG2 ARG A 38 -6.600 0.017 -4.615 1.00 0.00 H ATOM 460 HG3 ARG A 38 -6.482 0.614 -6.277 1.00 0.00 H ATOM 461 HD2 ARG A 38 -8.771 0.637 -6.584 1.00 0.00 H ATOM 462 HD3 ARG A 38 -9.008 -0.811 -5.598 1.00 0.00 H ATOM 463 HE ARG A 38 -8.499 1.905 -4.412 1.00 0.00 H ATOM 464 HH11 ARG A 38 -10.287 -1.107 -4.135 1.00 0.00 H ATOM 465 HH12 ARG A 38 -11.707 -0.346 -3.474 1.00 0.00 H ATOM 466 HH21 ARG A 38 -10.159 2.832 -3.497 1.00 0.00 H ATOM 467 HH22 ARG A 38 -11.635 1.969 -3.044 1.00 0.00 H ATOM 468 N HIS A 39 -6.815 -0.130 -8.988 1.00 0.00 N ATOM 469 CA HIS A 39 -6.036 0.556 -10.001 1.00 0.00 C ATOM 470 C HIS A 39 -5.470 1.797 -9.342 1.00 0.00 C ATOM 471 O HIS A 39 -6.222 2.669 -8.906 1.00 0.00 O ATOM 472 CB HIS A 39 -6.909 0.869 -11.222 1.00 0.00 C ATOM 473 CG HIS A 39 -7.649 -0.338 -11.740 1.00 0.00 C ATOM 474 ND1 HIS A 39 -7.075 -1.497 -12.209 1.00 0.00 N ATOM 475 CD2 HIS A 39 -9.003 -0.542 -11.686 1.00 0.00 C ATOM 476 CE1 HIS A 39 -8.064 -2.375 -12.443 1.00 0.00 C ATOM 477 NE2 HIS A 39 -9.257 -1.838 -12.146 1.00 0.00 N ATOM 478 H HIS A 39 -7.469 0.423 -8.454 1.00 0.00 H ATOM 479 HA HIS A 39 -5.172 -0.042 -10.303 1.00 0.00 H ATOM 480 HB2 HIS A 39 -7.638 1.638 -10.959 1.00 0.00 H ATOM 481 HB3 HIS A 39 -6.275 1.260 -12.019 1.00 0.00 H ATOM 482 HD1 HIS A 39 -6.088 -1.670 -12.322 1.00 0.00 H ATOM 483 HD2 HIS A 39 -9.739 0.155 -11.313 1.00 0.00 H ATOM 484 HE1 HIS A 39 -7.921 -3.382 -12.807 1.00 0.00 H ATOM 485 N SER A 40 -4.144 1.826 -9.208 1.00 0.00 N ATOM 486 CA SER A 40 -3.401 2.856 -8.517 1.00 0.00 C ATOM 487 C SER A 40 -3.829 3.075 -7.068 1.00 0.00 C ATOM 488 O SER A 40 -4.683 2.396 -6.498 1.00 0.00 O ATOM 489 CB SER A 40 -3.374 4.139 -9.376 1.00 0.00 C ATOM 490 OG SER A 40 -4.593 4.402 -10.038 1.00 0.00 O ATOM 491 H SER A 40 -3.606 1.073 -9.609 1.00 0.00 H ATOM 492 HA SER A 40 -2.387 2.484 -8.388 1.00 0.00 H ATOM 493 HB2 SER A 40 -3.113 5.027 -8.804 1.00 0.00 H ATOM 494 HB3 SER A 40 -2.620 4.003 -10.147 1.00 0.00 H ATOM 495 HG SER A 40 -5.342 4.165 -9.474 1.00 0.00 H ATOM 496 N GLY A 41 -3.168 4.046 -6.458 1.00 0.00 N ATOM 497 CA GLY A 41 -3.617 4.717 -5.269 1.00 0.00 C ATOM 498 C GLY A 41 -4.967 5.308 -5.589 1.00 0.00 C ATOM 499 O GLY A 41 -5.058 6.404 -6.133 1.00 0.00 O ATOM 500 H GLY A 41 -2.424 4.514 -6.958 1.00 0.00 H ATOM 501 HA2 GLY A 41 -3.665 4.046 -4.414 1.00 0.00 H ATOM 502 HA3 GLY A 41 -2.938 5.537 -5.060 1.00 0.00 H ATOM 503 N GLN A 42 -6.011 4.532 -5.319 1.00 0.00 N ATOM 504 CA GLN A 42 -7.361 5.033 -5.469 1.00 0.00 C ATOM 505 C GLN A 42 -8.237 4.745 -4.253 1.00 0.00 C ATOM 506 O GLN A 42 -8.677 3.621 -4.002 1.00 0.00 O ATOM 507 CB GLN A 42 -8.009 4.565 -6.770 1.00 0.00 C ATOM 508 CG GLN A 42 -9.108 5.582 -7.137 1.00 0.00 C ATOM 509 CD GLN A 42 -10.415 4.967 -7.616 1.00 0.00 C ATOM 510 OE1 GLN A 42 -10.493 3.806 -7.993 1.00 0.00 O ATOM 511 NE2 GLN A 42 -11.480 5.756 -7.577 1.00 0.00 N ATOM 512 H GLN A 42 -5.812 3.550 -5.146 1.00 0.00 H ATOM 513 HA GLN A 42 -7.253 6.115 -5.559 1.00 0.00 H ATOM 514 HB2 GLN A 42 -7.264 4.562 -7.565 1.00 0.00 H ATOM 515 HB3 GLN A 42 -8.394 3.553 -6.640 1.00 0.00 H ATOM 516 HG2 GLN A 42 -9.365 6.196 -6.273 1.00 0.00 H ATOM 517 HG3 GLN A 42 -8.727 6.245 -7.913 1.00 0.00 H ATOM 518 HE21 GLN A 42 -11.405 6.709 -7.258 1.00 0.00 H ATOM 519 HE22 GLN A 42 -12.355 5.370 -7.892 1.00 0.00 H ATOM 520 N ALA A 43 -8.544 5.815 -3.536 1.00 0.00 N ATOM 521 CA ALA A 43 -9.561 5.840 -2.487 1.00 0.00 C ATOM 522 C ALA A 43 -10.167 7.239 -2.397 1.00 0.00 C ATOM 523 O ALA A 43 -9.840 8.108 -3.199 1.00 0.00 O ATOM 524 CB ALA A 43 -8.916 5.446 -1.151 1.00 0.00 C ATOM 525 H ALA A 43 -8.120 6.684 -3.853 1.00 0.00 H ATOM 526 HA ALA A 43 -10.372 5.146 -2.713 1.00 0.00 H ATOM 527 HB1 ALA A 43 -9.600 5.627 -0.321 1.00 0.00 H ATOM 528 HB2 ALA A 43 -8.654 4.388 -1.161 1.00 0.00 H ATOM 529 HB3 ALA A 43 -8.019 6.043 -0.991 1.00 0.00 H ATOM 530 N GLU A 44 -10.948 7.469 -1.341 1.00 0.00 N ATOM 531 CA GLU A 44 -11.334 8.789 -0.859 1.00 0.00 C ATOM 532 C GLU A 44 -10.160 9.663 -0.355 1.00 0.00 C ATOM 533 O GLU A 44 -10.370 10.752 0.174 1.00 0.00 O ATOM 534 CB GLU A 44 -12.445 8.632 0.193 1.00 0.00 C ATOM 535 CG GLU A 44 -13.565 9.661 -0.018 1.00 0.00 C ATOM 536 CD GLU A 44 -14.694 9.492 0.991 1.00 0.00 C ATOM 537 OE1 GLU A 44 -14.383 9.514 2.201 1.00 0.00 O ATOM 538 OE2 GLU A 44 -15.844 9.328 0.530 1.00 0.00 O ATOM 539 H GLU A 44 -11.283 6.671 -0.833 1.00 0.00 H ATOM 540 HA GLU A 44 -11.737 9.290 -1.731 1.00 0.00 H ATOM 541 HB2 GLU A 44 -12.902 7.643 0.129 1.00 0.00 H ATOM 542 HB3 GLU A 44 -12.031 8.751 1.197 1.00 0.00 H ATOM 543 HG2 GLU A 44 -13.171 10.672 0.083 1.00 0.00 H ATOM 544 HG3 GLU A 44 -13.990 9.542 -1.015 1.00 0.00 H ATOM 545 N GLY A 45 -8.907 9.240 -0.573 1.00 0.00 N ATOM 546 CA GLY A 45 -7.809 10.187 -0.711 1.00 0.00 C ATOM 547 C GLY A 45 -8.116 11.205 -1.817 1.00 0.00 C ATOM 548 O GLY A 45 -8.968 10.970 -2.670 1.00 0.00 O ATOM 549 H GLY A 45 -8.774 8.339 -0.994 1.00 0.00 H ATOM 550 HA2 GLY A 45 -7.629 10.696 0.237 1.00 0.00 H ATOM 551 HA3 GLY A 45 -6.914 9.638 -1.002 1.00 0.00 H ATOM 552 N TYR A 46 -7.390 12.323 -1.857 1.00 0.00 N ATOM 553 CA TYR A 46 -7.533 13.312 -2.915 1.00 0.00 C ATOM 554 C TYR A 46 -6.278 13.229 -3.790 1.00 0.00 C ATOM 555 O TYR A 46 -6.203 13.822 -4.855 1.00 0.00 O ATOM 556 CB TYR A 46 -7.768 14.688 -2.255 1.00 0.00 C ATOM 557 CG TYR A 46 -6.589 15.646 -2.226 1.00 0.00 C ATOM 558 CD1 TYR A 46 -5.474 15.397 -1.403 1.00 0.00 C ATOM 559 CD2 TYR A 46 -6.592 16.776 -3.064 1.00 0.00 C ATOM 560 CE1 TYR A 46 -4.341 16.225 -1.482 1.00 0.00 C ATOM 561 CE2 TYR A 46 -5.479 17.632 -3.099 1.00 0.00 C ATOM 562 CZ TYR A 46 -4.328 17.313 -2.364 1.00 0.00 C ATOM 563 OH TYR A 46 -3.153 17.931 -2.651 1.00 0.00 O ATOM 564 H TYR A 46 -6.528 12.410 -1.337 1.00 0.00 H ATOM 565 HA TYR A 46 -8.386 13.105 -3.561 1.00 0.00 H ATOM 566 HB2 TYR A 46 -8.590 15.171 -2.784 1.00 0.00 H ATOM 567 HB3 TYR A 46 -8.112 14.546 -1.228 1.00 0.00 H ATOM 568 HD1 TYR A 46 -5.395 14.471 -0.862 1.00 0.00 H ATOM 569 HD2 TYR A 46 -7.400 16.926 -3.762 1.00 0.00 H ATOM 570 HE1 TYR A 46 -3.432 15.946 -0.969 1.00 0.00 H ATOM 571 HE2 TYR A 46 -5.482 18.488 -3.756 1.00 0.00 H ATOM 572 HH TYR A 46 -3.152 18.288 -3.541 1.00 0.00 H ATOM 573 N SER A 47 -5.285 12.469 -3.309 1.00 0.00 N ATOM 574 CA SER A 47 -3.936 12.961 -3.049 1.00 0.00 C ATOM 575 C SER A 47 -2.979 12.607 -4.170 1.00 0.00 C ATOM 576 O SER A 47 -2.013 13.317 -4.424 1.00 0.00 O ATOM 577 CB SER A 47 -3.456 12.402 -1.706 1.00 0.00 C ATOM 578 OG SER A 47 -2.526 13.294 -1.135 1.00 0.00 O ATOM 579 H SER A 47 -5.564 11.685 -2.745 1.00 0.00 H ATOM 580 HA SER A 47 -3.959 14.047 -3.004 1.00 0.00 H ATOM 581 HB2 SER A 47 -4.292 12.314 -1.011 1.00 0.00 H ATOM 582 HB3 SER A 47 -3.012 11.411 -1.835 1.00 0.00 H ATOM 583 HG SER A 47 -1.761 13.386 -1.713 1.00 0.00 H ATOM 584 N TYR A 48 -3.384 11.599 -4.937 1.00 0.00 N ATOM 585 CA TYR A 48 -2.863 11.161 -6.223 1.00 0.00 C ATOM 586 C TYR A 48 -2.912 12.256 -7.315 1.00 0.00 C ATOM 587 O TYR A 48 -2.616 11.966 -8.474 1.00 0.00 O ATOM 588 CB TYR A 48 -3.674 9.914 -6.622 1.00 0.00 C ATOM 589 CG TYR A 48 -4.130 9.058 -5.447 1.00 0.00 C ATOM 590 CD1 TYR A 48 -3.186 8.314 -4.715 1.00 0.00 C ATOM 591 CD2 TYR A 48 -5.454 9.164 -4.968 1.00 0.00 C ATOM 592 CE1 TYR A 48 -3.583 7.616 -3.560 1.00 0.00 C ATOM 593 CE2 TYR A 48 -5.841 8.483 -3.800 1.00 0.00 C ATOM 594 CZ TYR A 48 -4.921 7.657 -3.141 1.00 0.00 C ATOM 595 OH TYR A 48 -5.346 6.847 -2.135 1.00 0.00 O ATOM 596 H TYR A 48 -4.228 11.146 -4.633 1.00 0.00 H ATOM 597 HA TYR A 48 -1.821 10.869 -6.081 1.00 0.00 H ATOM 598 HB2 TYR A 48 -4.567 10.239 -7.158 1.00 0.00 H ATOM 599 HB3 TYR A 48 -3.080 9.303 -7.303 1.00 0.00 H ATOM 600 HD1 TYR A 48 -2.166 8.238 -5.067 1.00 0.00 H ATOM 601 HD2 TYR A 48 -6.177 9.774 -5.489 1.00 0.00 H ATOM 602 HE1 TYR A 48 -2.874 6.967 -3.069 1.00 0.00 H ATOM 603 HE2 TYR A 48 -6.860 8.537 -3.449 1.00 0.00 H ATOM 604 HH TYR A 48 -4.644 6.270 -1.828 1.00 0.00 H ATOM 605 N THR A 49 -3.263 13.495 -6.933 1.00 0.00 N ATOM 606 CA THR A 49 -3.291 14.776 -7.663 1.00 0.00 C ATOM 607 C THR A 49 -2.181 15.122 -8.688 1.00 0.00 C ATOM 608 O THR A 49 -2.192 16.261 -9.142 1.00 0.00 O ATOM 609 CB THR A 49 -3.383 15.935 -6.633 1.00 0.00 C ATOM 610 OG1 THR A 49 -2.385 15.845 -5.629 1.00 0.00 O ATOM 611 CG2 THR A 49 -4.725 16.037 -5.918 1.00 0.00 C ATOM 612 H THR A 49 -3.585 13.559 -5.976 1.00 0.00 H ATOM 613 HA THR A 49 -4.210 14.788 -8.249 1.00 0.00 H ATOM 614 HB THR A 49 -3.265 16.894 -7.140 1.00 0.00 H ATOM 615 HG1 THR A 49 -2.481 15.031 -5.113 1.00 0.00 H ATOM 616 HG21 THR A 49 -4.652 15.540 -4.955 1.00 0.00 H ATOM 617 HG22 THR A 49 -4.952 17.086 -5.737 1.00 0.00 H ATOM 618 HG23 THR A 49 -5.528 15.609 -6.518 1.00 0.00 H ATOM 619 N ASP A 50 -1.285 14.212 -9.109 1.00 0.00 N ATOM 620 CA ASP A 50 -0.286 14.453 -10.164 1.00 0.00 C ATOM 621 C ASP A 50 0.624 13.237 -10.492 1.00 0.00 C ATOM 622 O ASP A 50 1.827 13.400 -10.671 1.00 0.00 O ATOM 623 CB ASP A 50 0.533 15.740 -9.866 1.00 0.00 C ATOM 624 CG ASP A 50 0.395 16.761 -10.987 1.00 0.00 C ATOM 625 OD1 ASP A 50 0.734 16.383 -12.130 1.00 0.00 O ATOM 626 OD2 ASP A 50 -0.025 17.899 -10.689 1.00 0.00 O ATOM 627 H ASP A 50 -1.421 13.265 -8.800 1.00 0.00 H ATOM 628 HA ASP A 50 -0.856 14.619 -11.080 1.00 0.00 H ATOM 629 HB2 ASP A 50 0.252 16.205 -8.924 1.00 0.00 H ATOM 630 HB3 ASP A 50 1.599 15.540 -9.789 1.00 0.00 H ATOM 631 N ALA A 51 0.081 12.012 -10.622 1.00 0.00 N ATOM 632 CA ALA A 51 0.839 10.866 -11.168 1.00 0.00 C ATOM 633 C ALA A 51 0.031 9.555 -11.224 1.00 0.00 C ATOM 634 O ALA A 51 -0.690 9.261 -12.178 1.00 0.00 O ATOM 635 CB ALA A 51 2.161 10.636 -10.394 1.00 0.00 C ATOM 636 H ALA A 51 -0.912 11.917 -10.456 1.00 0.00 H ATOM 637 HA ALA A 51 1.104 11.101 -12.200 1.00 0.00 H ATOM 638 HB1 ALA A 51 2.931 11.348 -10.683 1.00 0.00 H ATOM 639 HB2 ALA A 51 1.994 10.716 -9.318 1.00 0.00 H ATOM 640 HB3 ALA A 51 2.573 9.651 -10.620 1.00 0.00 H ATOM 641 N ASN A 52 0.221 8.736 -10.192 1.00 0.00 N ATOM 642 CA ASN A 52 -0.171 7.352 -10.022 1.00 0.00 C ATOM 643 C ASN A 52 -1.559 6.994 -10.585 1.00 0.00 C ATOM 644 O ASN A 52 -1.701 6.012 -11.307 1.00 0.00 O ATOM 645 CB ASN A 52 -0.013 7.138 -8.518 1.00 0.00 C ATOM 646 CG ASN A 52 -0.554 5.834 -8.007 1.00 0.00 C ATOM 647 OD1 ASN A 52 -1.260 5.837 -7.022 1.00 0.00 O ATOM 648 ND2 ASN A 52 -0.293 4.717 -8.666 1.00 0.00 N ATOM 649 H ASN A 52 0.813 9.081 -9.455 1.00 0.00 H ATOM 650 HA ASN A 52 0.562 6.725 -10.534 1.00 0.00 H ATOM 651 HB2 ASN A 52 1.042 7.192 -8.248 1.00 0.00 H ATOM 652 HB3 ASN A 52 -0.543 7.931 -7.987 1.00 0.00 H ATOM 653 HD21 ASN A 52 0.249 4.721 -9.513 1.00 0.00 H ATOM 654 HD22 ASN A 52 -0.540 3.863 -8.201 1.00 0.00 H ATOM 655 N ILE A 53 -2.578 7.797 -10.293 1.00 0.00 N ATOM 656 CA ILE A 53 -3.934 7.631 -10.817 1.00 0.00 C ATOM 657 C ILE A 53 -4.033 7.727 -12.339 1.00 0.00 C ATOM 658 O ILE A 53 -4.773 6.984 -12.976 1.00 0.00 O ATOM 659 CB ILE A 53 -4.862 8.615 -10.108 1.00 0.00 C ATOM 660 CG1 ILE A 53 -6.333 8.280 -10.401 1.00 0.00 C ATOM 661 CG2 ILE A 53 -4.558 10.089 -10.432 1.00 0.00 C ATOM 662 CD1 ILE A 53 -7.253 8.942 -9.375 1.00 0.00 C ATOM 663 H ILE A 53 -2.407 8.569 -9.672 1.00 0.00 H ATOM 664 HA ILE A 53 -4.267 6.638 -10.549 1.00 0.00 H ATOM 665 HB ILE A 53 -4.659 8.446 -9.056 1.00 0.00 H ATOM 666 HG12 ILE A 53 -6.597 8.624 -11.402 1.00 0.00 H ATOM 667 HG13 ILE A 53 -6.496 7.202 -10.358 1.00 0.00 H ATOM 668 HG21 ILE A 53 -5.255 10.472 -11.178 1.00 0.00 H ATOM 669 HG22 ILE A 53 -4.664 10.683 -9.527 1.00 0.00 H ATOM 670 HG23 ILE A 53 -3.543 10.224 -10.802 1.00 0.00 H ATOM 671 HD11 ILE A 53 -6.895 9.940 -9.127 1.00 0.00 H ATOM 672 HD12 ILE A 53 -8.257 9.018 -9.792 1.00 0.00 H ATOM 673 HD13 ILE A 53 -7.280 8.334 -8.471 1.00 0.00 H ATOM 674 N LYS A 54 -3.269 8.649 -12.922 1.00 0.00 N ATOM 675 CA LYS A 54 -3.181 8.849 -14.360 1.00 0.00 C ATOM 676 C LYS A 54 -2.496 7.646 -15.011 1.00 0.00 C ATOM 677 O LYS A 54 -2.884 7.201 -16.086 1.00 0.00 O ATOM 678 CB LYS A 54 -2.397 10.143 -14.619 1.00 0.00 C ATOM 679 CG LYS A 54 -3.062 11.000 -15.693 1.00 0.00 C ATOM 680 CD LYS A 54 -2.204 12.247 -15.911 1.00 0.00 C ATOM 681 CE LYS A 54 -2.875 13.185 -16.911 1.00 0.00 C ATOM 682 NZ LYS A 54 -2.022 14.348 -17.185 1.00 0.00 N ATOM 683 H LYS A 54 -2.588 9.131 -12.345 1.00 0.00 H ATOM 684 HA LYS A 54 -4.198 8.929 -14.752 1.00 0.00 H ATOM 685 HB2 LYS A 54 -2.354 10.741 -13.708 1.00 0.00 H ATOM 686 HB3 LYS A 54 -1.374 9.907 -14.919 1.00 0.00 H ATOM 687 HG2 LYS A 54 -3.148 10.436 -16.622 1.00 0.00 H ATOM 688 HG3 LYS A 54 -4.055 11.294 -15.351 1.00 0.00 H ATOM 689 HD2 LYS A 54 -2.072 12.772 -14.963 1.00 0.00 H ATOM 690 HD3 LYS A 54 -1.226 11.947 -16.291 1.00 0.00 H ATOM 691 HE2 LYS A 54 -3.054 12.655 -17.845 1.00 0.00 H ATOM 692 HE3 LYS A 54 -3.823 13.533 -16.503 1.00 0.00 H ATOM 693 HZ2 LYS A 54 -1.143 14.031 -17.566 1.00 0.00 H ATOM 694 HZ3 LYS A 54 -1.850 14.843 -16.321 1.00 0.00 H ATOM 695 N LYS A 55 -1.471 7.128 -14.327 1.00 0.00 N ATOM 696 CA LYS A 55 -0.771 5.901 -14.713 1.00 0.00 C ATOM 697 C LYS A 55 -1.709 4.688 -14.621 1.00 0.00 C ATOM 698 O LYS A 55 -1.668 3.794 -15.461 1.00 0.00 O ATOM 699 CB LYS A 55 0.473 5.748 -13.823 1.00 0.00 C ATOM 700 CG LYS A 55 1.294 4.479 -14.074 1.00 0.00 C ATOM 701 CD LYS A 55 2.086 4.571 -15.380 1.00 0.00 C ATOM 702 CE LYS A 55 2.836 3.265 -15.637 1.00 0.00 C ATOM 703 NZ LYS A 55 3.711 3.385 -16.809 1.00 0.00 N ATOM 704 H LYS A 55 -1.272 7.562 -13.428 1.00 0.00 H ATOM 705 HA LYS A 55 -0.463 5.988 -15.756 1.00 0.00 H ATOM 706 HB2 LYS A 55 1.115 6.620 -13.954 1.00 0.00 H ATOM 707 HB3 LYS A 55 0.161 5.716 -12.784 1.00 0.00 H ATOM 708 HG2 LYS A 55 1.998 4.381 -13.246 1.00 0.00 H ATOM 709 HG3 LYS A 55 0.650 3.600 -14.079 1.00 0.00 H ATOM 710 HD2 LYS A 55 1.417 4.762 -16.219 1.00 0.00 H ATOM 711 HD3 LYS A 55 2.803 5.389 -15.300 1.00 0.00 H ATOM 712 HE2 LYS A 55 3.454 3.020 -14.773 1.00 0.00 H ATOM 713 HE3 LYS A 55 2.124 2.457 -15.809 1.00 0.00 H ATOM 714 HZ2 LYS A 55 4.256 2.540 -16.895 1.00 0.00 H ATOM 715 HZ3 LYS A 55 4.330 4.172 -16.681 1.00 0.00 H ATOM 716 N ASN A 56 -2.546 4.660 -13.583 1.00 0.00 N ATOM 717 CA ASN A 56 -3.593 3.673 -13.350 1.00 0.00 C ATOM 718 C ASN A 56 -3.019 2.279 -13.067 1.00 0.00 C ATOM 719 O ASN A 56 -3.468 1.261 -13.592 1.00 0.00 O ATOM 720 CB ASN A 56 -4.642 3.713 -14.488 1.00 0.00 C ATOM 721 CG ASN A 56 -6.070 3.956 -14.011 1.00 0.00 C ATOM 722 OD1 ASN A 56 -6.395 3.871 -12.835 1.00 0.00 O ATOM 723 ND2 ASN A 56 -6.970 4.249 -14.941 1.00 0.00 N ATOM 724 H ASN A 56 -2.453 5.389 -12.885 1.00 0.00 H ATOM 725 HA ASN A 56 -4.013 4.005 -12.404 1.00 0.00 H ATOM 726 HB2 ASN A 56 -4.398 4.513 -15.188 1.00 0.00 H ATOM 727 HB3 ASN A 56 -4.641 2.783 -15.057 1.00 0.00 H ATOM 728 HD21 ASN A 56 -6.705 4.304 -15.911 1.00 0.00 H ATOM 729 HD22 ASN A 56 -7.907 4.444 -14.629 1.00 0.00 H ATOM 730 N VAL A 57 -1.997 2.238 -12.211 1.00 0.00 N ATOM 731 CA VAL A 57 -1.201 1.038 -12.001 1.00 0.00 C ATOM 732 C VAL A 57 -2.002 -0.109 -11.350 1.00 0.00 C ATOM 733 O VAL A 57 -2.361 -0.058 -10.177 1.00 0.00 O ATOM 734 CB VAL A 57 0.114 1.403 -11.291 1.00 0.00 C ATOM 735 CG1 VAL A 57 0.048 1.517 -9.766 1.00 0.00 C ATOM 736 CG2 VAL A 57 1.156 0.356 -11.670 1.00 0.00 C ATOM 737 H VAL A 57 -1.672 3.117 -11.838 1.00 0.00 H ATOM 738 HA VAL A 57 -0.911 0.709 -13.001 1.00 0.00 H ATOM 739 HB VAL A 57 0.423 2.380 -11.669 1.00 0.00 H ATOM 740 HG11 VAL A 57 -0.183 0.564 -9.293 1.00 0.00 H ATOM 741 HG12 VAL A 57 1.000 1.872 -9.371 1.00 0.00 H ATOM 742 HG13 VAL A 57 -0.711 2.246 -9.529 1.00 0.00 H ATOM 743 HG21 VAL A 57 0.670 -0.618 -11.713 1.00 0.00 H ATOM 744 HG22 VAL A 57 1.579 0.586 -12.647 1.00 0.00 H ATOM 745 HG23 VAL A 57 1.949 0.330 -10.925 1.00 0.00 H ATOM 746 N LEU A 58 -2.327 -1.142 -12.127 1.00 0.00 N ATOM 747 CA LEU A 58 -3.142 -2.272 -11.684 1.00 0.00 C ATOM 748 C LEU A 58 -2.534 -3.035 -10.492 1.00 0.00 C ATOM 749 O LEU A 58 -1.369 -3.417 -10.515 1.00 0.00 O ATOM 750 CB LEU A 58 -3.423 -3.160 -12.905 1.00 0.00 C ATOM 751 CG LEU A 58 -3.968 -4.576 -12.640 1.00 0.00 C ATOM 752 CD1 LEU A 58 -2.850 -5.580 -12.305 1.00 0.00 C ATOM 753 CD2 LEU A 58 -5.110 -4.620 -11.613 1.00 0.00 C ATOM 754 H LEU A 58 -2.072 -1.093 -13.103 1.00 0.00 H ATOM 755 HA LEU A 58 -4.094 -1.858 -11.356 1.00 0.00 H ATOM 756 HB2 LEU A 58 -4.152 -2.631 -13.521 1.00 0.00 H ATOM 757 HB3 LEU A 58 -2.513 -3.253 -13.500 1.00 0.00 H ATOM 758 HG LEU A 58 -4.390 -4.894 -13.595 1.00 0.00 H ATOM 759 HD11 LEU A 58 -2.969 -6.471 -12.922 1.00 0.00 H ATOM 760 HD12 LEU A 58 -1.867 -5.155 -12.507 1.00 0.00 H ATOM 761 HD13 LEU A 58 -2.879 -5.885 -11.262 1.00 0.00 H ATOM 762 HD21 LEU A 58 -5.560 -3.639 -11.493 1.00 0.00 H ATOM 763 HD22 LEU A 58 -5.878 -5.316 -11.948 1.00 0.00 H ATOM 764 HD23 LEU A 58 -4.753 -4.954 -10.641 1.00 0.00 H ATOM 765 N TRP A 59 -3.343 -3.264 -9.455 1.00 0.00 N ATOM 766 CA TRP A 59 -3.023 -3.966 -8.219 1.00 0.00 C ATOM 767 C TRP A 59 -3.930 -5.207 -8.057 1.00 0.00 C ATOM 768 O TRP A 59 -5.008 -5.112 -7.463 1.00 0.00 O ATOM 769 CB TRP A 59 -3.218 -2.986 -7.060 1.00 0.00 C ATOM 770 CG TRP A 59 -2.141 -1.969 -6.845 1.00 0.00 C ATOM 771 CD1 TRP A 59 -2.316 -0.633 -6.839 1.00 0.00 C ATOM 772 CD2 TRP A 59 -0.752 -2.185 -6.460 1.00 0.00 C ATOM 773 NE1 TRP A 59 -1.111 -0.012 -6.587 1.00 0.00 N ATOM 774 CE2 TRP A 59 -0.112 -0.924 -6.259 1.00 0.00 C ATOM 775 CE3 TRP A 59 0.055 -3.331 -6.335 1.00 0.00 C ATOM 776 CZ2 TRP A 59 1.250 -0.867 -5.867 1.00 0.00 C ATOM 777 CZ3 TRP A 59 1.342 -3.257 -5.761 1.00 0.00 C ATOM 778 CH2 TRP A 59 1.867 -2.023 -5.390 1.00 0.00 C ATOM 779 H TRP A 59 -4.300 -2.946 -9.542 1.00 0.00 H ATOM 780 HA TRP A 59 -1.979 -4.268 -8.220 1.00 0.00 H ATOM 781 HB2 TRP A 59 -4.144 -2.460 -7.262 1.00 0.00 H ATOM 782 HB3 TRP A 59 -3.330 -3.540 -6.128 1.00 0.00 H ATOM 783 HD1 TRP A 59 -3.265 -0.137 -6.992 1.00 0.00 H ATOM 784 HE1 TRP A 59 -1.075 0.992 -6.623 1.00 0.00 H ATOM 785 HE3 TRP A 59 -0.322 -4.228 -6.799 1.00 0.00 H ATOM 786 HZ2 TRP A 59 1.944 -0.057 -5.982 1.00 0.00 H ATOM 787 HZ3 TRP A 59 2.047 -4.072 -5.763 1.00 0.00 H ATOM 788 HH2 TRP A 59 2.850 -1.970 -4.944 1.00 0.00 H ATOM 789 N ASP A 60 -3.491 -6.342 -8.622 1.00 0.00 N ATOM 790 CA ASP A 60 -4.158 -7.653 -8.639 1.00 0.00 C ATOM 791 C ASP A 60 -3.259 -8.703 -9.327 1.00 0.00 C ATOM 792 O ASP A 60 -3.341 -8.871 -10.542 1.00 0.00 O ATOM 793 CB ASP A 60 -5.468 -7.541 -9.431 1.00 0.00 C ATOM 794 CG ASP A 60 -6.325 -8.788 -9.279 1.00 0.00 C ATOM 795 OD1 ASP A 60 -6.224 -9.412 -8.201 1.00 0.00 O ATOM 796 OD2 ASP A 60 -7.069 -9.081 -10.238 1.00 0.00 O ATOM 797 H ASP A 60 -2.625 -6.267 -9.131 1.00 0.00 H ATOM 798 HA ASP A 60 -4.352 -7.947 -7.605 1.00 0.00 H ATOM 799 HB2 ASP A 60 -6.039 -6.689 -9.117 1.00 0.00 H ATOM 800 HB3 ASP A 60 -5.262 -7.402 -10.491 1.00 0.00 H ATOM 801 N GLU A 61 -2.287 -9.296 -8.623 1.00 0.00 N ATOM 802 CA GLU A 61 -1.028 -9.586 -9.315 1.00 0.00 C ATOM 803 C GLU A 61 -0.007 -10.479 -8.578 1.00 0.00 C ATOM 804 O GLU A 61 -0.344 -11.331 -7.759 1.00 0.00 O ATOM 805 CB GLU A 61 -0.425 -8.233 -9.800 1.00 0.00 C ATOM 806 CG GLU A 61 -0.174 -8.220 -11.318 1.00 0.00 C ATOM 807 CD GLU A 61 0.796 -9.287 -11.795 1.00 0.00 C ATOM 808 OE1 GLU A 61 2.003 -9.117 -11.487 1.00 0.00 O ATOM 809 OE2 GLU A 61 0.312 -10.285 -12.370 1.00 0.00 O ATOM 810 H GLU A 61 -2.344 -9.336 -7.619 1.00 0.00 H ATOM 811 HA GLU A 61 -1.292 -10.186 -10.186 1.00 0.00 H ATOM 812 HB2 GLU A 61 -1.111 -7.414 -9.612 1.00 0.00 H ATOM 813 HB3 GLU A 61 0.473 -7.942 -9.258 1.00 0.00 H ATOM 814 HG2 GLU A 61 -1.123 -8.359 -11.837 1.00 0.00 H ATOM 815 HG3 GLU A 61 0.238 -7.256 -11.608 1.00 0.00 H ATOM 816 N ASN A 62 1.265 -10.273 -8.934 1.00 0.00 N ATOM 817 CA ASN A 62 2.400 -11.183 -8.851 1.00 0.00 C ATOM 818 C ASN A 62 3.641 -10.313 -8.621 1.00 0.00 C ATOM 819 O ASN A 62 4.309 -10.414 -7.594 1.00 0.00 O ATOM 820 CB ASN A 62 2.508 -11.892 -10.215 1.00 0.00 C ATOM 821 CG ASN A 62 2.278 -13.389 -10.231 1.00 0.00 C ATOM 822 OD1 ASN A 62 2.488 -14.098 -9.256 1.00 0.00 O ATOM 823 ND2 ASN A 62 1.855 -13.882 -11.388 1.00 0.00 N ATOM 824 H ASN A 62 1.407 -9.508 -9.584 1.00 0.00 H ATOM 825 HA ASN A 62 2.285 -11.889 -8.027 1.00 0.00 H ATOM 826 HB2 ASN A 62 1.730 -11.508 -10.860 1.00 0.00 H ATOM 827 HB3 ASN A 62 3.464 -11.691 -10.698 1.00 0.00 H ATOM 828 HD21 ASN A 62 1.656 -13.241 -12.145 1.00 0.00 H ATOM 829 HD22 ASN A 62 1.710 -14.872 -11.474 1.00 0.00 H ATOM 830 N ASN A 63 3.892 -9.363 -9.526 1.00 0.00 N ATOM 831 CA ASN A 63 4.912 -8.340 -9.306 1.00 0.00 C ATOM 832 C ASN A 63 4.681 -7.594 -7.978 1.00 0.00 C ATOM 833 O ASN A 63 5.624 -7.358 -7.231 1.00 0.00 O ATOM 834 CB ASN A 63 4.963 -7.386 -10.503 1.00 0.00 C ATOM 835 CG ASN A 63 5.667 -7.995 -11.705 1.00 0.00 C ATOM 836 OD1 ASN A 63 6.884 -7.936 -11.816 1.00 0.00 O ATOM 837 ND2 ASN A 63 4.915 -8.553 -12.642 1.00 0.00 N ATOM 838 H ASN A 63 3.293 -9.310 -10.356 1.00 0.00 H ATOM 839 HA ASN A 63 5.884 -8.831 -9.223 1.00 0.00 H ATOM 840 HB2 ASN A 63 3.957 -7.096 -10.799 1.00 0.00 H ATOM 841 HB3 ASN A 63 5.530 -6.498 -10.225 1.00 0.00 H ATOM 842 HD21 ASN A 63 3.907 -8.630 -12.526 1.00 0.00 H ATOM 843 HD22 ASN A 63 5.394 -8.918 -13.449 1.00 0.00 H ATOM 844 N MET A 64 3.427 -7.274 -7.632 1.00 0.00 N ATOM 845 CA MET A 64 3.040 -6.741 -6.333 1.00 0.00 C ATOM 846 C MET A 64 3.480 -7.618 -5.178 1.00 0.00 C ATOM 847 O MET A 64 3.782 -7.115 -4.102 1.00 0.00 O ATOM 848 CB MET A 64 1.520 -6.587 -6.262 1.00 0.00 C ATOM 849 CG MET A 64 0.777 -7.913 -6.109 1.00 0.00 C ATOM 850 SD MET A 64 -1.004 -7.761 -6.182 1.00 0.00 S ATOM 851 CE MET A 64 -1.274 -6.748 -4.738 1.00 0.00 C ATOM 852 H MET A 64 2.677 -7.440 -8.276 1.00 0.00 H ATOM 853 HA MET A 64 3.521 -5.776 -6.192 1.00 0.00 H ATOM 854 HB2 MET A 64 1.277 -6.004 -5.376 1.00 0.00 H ATOM 855 HB3 MET A 64 1.147 -6.085 -7.151 1.00 0.00 H ATOM 856 HG2 MET A 64 1.085 -8.601 -6.888 1.00 0.00 H ATOM 857 HG3 MET A 64 0.975 -8.360 -5.136 1.00 0.00 H ATOM 858 HE1 MET A 64 -0.957 -5.726 -4.932 1.00 0.00 H ATOM 859 HE2 MET A 64 -2.339 -6.789 -4.576 1.00 0.00 H ATOM 860 HE3 MET A 64 -0.754 -7.162 -3.877 1.00 0.00 H ATOM 861 N SER A 65 3.440 -8.937 -5.369 1.00 0.00 N ATOM 862 CA SER A 65 3.813 -9.860 -4.320 1.00 0.00 C ATOM 863 C SER A 65 5.245 -9.535 -3.919 1.00 0.00 C ATOM 864 O SER A 65 5.481 -9.206 -2.761 1.00 0.00 O ATOM 865 CB SER A 65 3.592 -11.315 -4.768 1.00 0.00 C ATOM 866 OG SER A 65 2.553 -11.895 -4.014 1.00 0.00 O ATOM 867 H SER A 65 3.294 -9.292 -6.305 1.00 0.00 H ATOM 868 HA SER A 65 3.183 -9.635 -3.455 1.00 0.00 H ATOM 869 HB2 SER A 65 3.256 -11.361 -5.799 1.00 0.00 H ATOM 870 HB3 SER A 65 4.507 -11.906 -4.674 1.00 0.00 H ATOM 871 HG SER A 65 2.123 -12.578 -4.543 1.00 0.00 H ATOM 872 N GLU A 66 6.159 -9.500 -4.886 1.00 0.00 N ATOM 873 CA GLU A 66 7.520 -9.030 -4.677 1.00 0.00 C ATOM 874 C GLU A 66 7.576 -7.564 -4.184 1.00 0.00 C ATOM 875 O GLU A 66 8.166 -7.295 -3.133 1.00 0.00 O ATOM 876 CB GLU A 66 8.331 -9.312 -5.950 1.00 0.00 C ATOM 877 CG GLU A 66 8.525 -10.834 -6.106 1.00 0.00 C ATOM 878 CD GLU A 66 9.354 -11.208 -7.327 1.00 0.00 C ATOM 879 OE1 GLU A 66 8.790 -11.115 -8.437 1.00 0.00 O ATOM 880 OE2 GLU A 66 10.526 -11.588 -7.120 1.00 0.00 O ATOM 881 H GLU A 66 5.883 -9.741 -5.831 1.00 0.00 H ATOM 882 HA GLU A 66 7.964 -9.637 -3.888 1.00 0.00 H ATOM 883 HB2 GLU A 66 7.819 -8.917 -6.830 1.00 0.00 H ATOM 884 HB3 GLU A 66 9.314 -8.843 -5.877 1.00 0.00 H ATOM 885 HG2 GLU A 66 9.040 -11.231 -5.231 1.00 0.00 H ATOM 886 HG3 GLU A 66 7.565 -11.338 -6.205 1.00 0.00 H ATOM 887 N TYR A 67 6.948 -6.608 -4.890 1.00 0.00 N ATOM 888 CA TYR A 67 7.079 -5.184 -4.558 1.00 0.00 C ATOM 889 C TYR A 67 6.590 -4.800 -3.172 1.00 0.00 C ATOM 890 O TYR A 67 7.189 -3.955 -2.506 1.00 0.00 O ATOM 891 CB TYR A 67 6.463 -4.231 -5.610 1.00 0.00 C ATOM 892 CG TYR A 67 7.363 -4.099 -6.816 1.00 0.00 C ATOM 893 CD1 TYR A 67 8.641 -3.527 -6.658 1.00 0.00 C ATOM 894 CD2 TYR A 67 6.938 -4.526 -8.084 1.00 0.00 C ATOM 895 CE1 TYR A 67 9.488 -3.382 -7.768 1.00 0.00 C ATOM 896 CE2 TYR A 67 7.765 -4.330 -9.203 1.00 0.00 C ATOM 897 CZ TYR A 67 9.034 -3.751 -9.042 1.00 0.00 C ATOM 898 OH TYR A 67 9.819 -3.516 -10.126 1.00 0.00 O ATOM 899 H TYR A 67 6.488 -6.872 -5.752 1.00 0.00 H ATOM 900 HA TYR A 67 8.155 -5.062 -4.498 1.00 0.00 H ATOM 901 HB2 TYR A 67 5.415 -4.432 -5.871 1.00 0.00 H ATOM 902 HB3 TYR A 67 6.388 -3.228 -5.190 1.00 0.00 H ATOM 903 HD1 TYR A 67 8.976 -3.195 -5.686 1.00 0.00 H ATOM 904 HD2 TYR A 67 5.962 -4.967 -8.203 1.00 0.00 H ATOM 905 HE1 TYR A 67 10.476 -2.965 -7.648 1.00 0.00 H ATOM 906 HE2 TYR A 67 7.418 -4.618 -10.183 1.00 0.00 H ATOM 907 HH TYR A 67 9.392 -3.791 -10.939 1.00 0.00 H ATOM 908 N LEU A 68 5.473 -5.391 -2.767 1.00 0.00 N ATOM 909 CA LEU A 68 4.978 -5.252 -1.419 1.00 0.00 C ATOM 910 C LEU A 68 5.783 -6.124 -0.430 1.00 0.00 C ATOM 911 O LEU A 68 5.973 -5.698 0.704 1.00 0.00 O ATOM 912 CB LEU A 68 3.461 -5.542 -1.358 1.00 0.00 C ATOM 913 CG LEU A 68 2.498 -4.717 -2.242 1.00 0.00 C ATOM 914 CD1 LEU A 68 1.087 -5.305 -2.155 1.00 0.00 C ATOM 915 CD2 LEU A 68 2.466 -3.240 -1.820 1.00 0.00 C ATOM 916 H LEU A 68 5.009 -6.035 -3.395 1.00 0.00 H ATOM 917 HA LEU A 68 5.186 -4.215 -1.147 1.00 0.00 H ATOM 918 HB2 LEU A 68 3.318 -6.590 -1.615 1.00 0.00 H ATOM 919 HB3 LEU A 68 3.142 -5.387 -0.328 1.00 0.00 H ATOM 920 HG LEU A 68 2.717 -4.808 -3.303 1.00 0.00 H ATOM 921 HD11 LEU A 68 1.117 -6.375 -2.366 1.00 0.00 H ATOM 922 HD12 LEU A 68 0.669 -5.144 -1.166 1.00 0.00 H ATOM 923 HD13 LEU A 68 0.450 -4.819 -2.893 1.00 0.00 H ATOM 924 HD21 LEU A 68 3.355 -2.973 -1.253 1.00 0.00 H ATOM 925 HD22 LEU A 68 2.414 -2.605 -2.702 1.00 0.00 H ATOM 926 HD23 LEU A 68 1.594 -3.044 -1.198 1.00 0.00 H ATOM 927 N THR A 69 6.187 -7.362 -0.794 1.00 0.00 N ATOM 928 CA THR A 69 7.005 -8.227 0.087 1.00 0.00 C ATOM 929 C THR A 69 8.222 -7.466 0.587 1.00 0.00 C ATOM 930 O THR A 69 8.509 -7.452 1.780 1.00 0.00 O ATOM 931 CB THR A 69 7.454 -9.546 -0.579 1.00 0.00 C ATOM 932 OG1 THR A 69 6.375 -10.455 -0.607 1.00 0.00 O ATOM 933 CG2 THR A 69 8.575 -10.277 0.170 1.00 0.00 C ATOM 934 H THR A 69 5.974 -7.704 -1.725 1.00 0.00 H ATOM 935 HA THR A 69 6.424 -8.498 0.962 1.00 0.00 H ATOM 936 HB THR A 69 7.817 -9.348 -1.587 1.00 0.00 H ATOM 937 HG1 THR A 69 5.857 -10.249 -1.390 1.00 0.00 H ATOM 938 HG21 THR A 69 9.501 -9.700 0.166 1.00 0.00 H ATOM 939 HG22 THR A 69 8.273 -10.478 1.198 1.00 0.00 H ATOM 940 HG23 THR A 69 8.773 -11.225 -0.330 1.00 0.00 H ATOM 941 N ASN A 70 8.930 -6.818 -0.335 1.00 0.00 N ATOM 942 CA ASN A 70 10.024 -5.947 0.044 1.00 0.00 C ATOM 943 C ASN A 70 9.508 -4.599 0.570 1.00 0.00 C ATOM 944 O ASN A 70 8.445 -4.124 0.169 1.00 0.00 O ATOM 945 CB ASN A 70 10.965 -5.764 -1.151 1.00 0.00 C ATOM 946 CG ASN A 70 11.939 -6.932 -1.262 1.00 0.00 C ATOM 947 OD1 ASN A 70 11.583 -8.087 -1.072 1.00 0.00 O ATOM 948 ND2 ASN A 70 13.203 -6.646 -1.539 1.00 0.00 N ATOM 949 H ASN A 70 8.639 -6.869 -1.309 1.00 0.00 H ATOM 950 HA ASN A 70 10.572 -6.442 0.847 1.00 0.00 H ATOM 951 HB2 ASN A 70 10.390 -5.677 -2.073 1.00 0.00 H ATOM 952 HB3 ASN A 70 11.537 -4.845 -1.020 1.00 0.00 H ATOM 953 HD21 ASN A 70 13.499 -5.699 -1.706 1.00 0.00 H ATOM 954 HD22 ASN A 70 13.844 -7.422 -1.573 1.00 0.00 H ATOM 955 N PRO A 71 10.293 -3.931 1.426 1.00 0.00 N ATOM 956 CA PRO A 71 10.053 -2.554 1.836 1.00 0.00 C ATOM 957 C PRO A 71 10.304 -1.616 0.647 1.00 0.00 C ATOM 958 O PRO A 71 11.297 -0.898 0.605 1.00 0.00 O ATOM 959 CB PRO A 71 11.076 -2.313 2.950 1.00 0.00 C ATOM 960 CG PRO A 71 12.252 -3.164 2.470 1.00 0.00 C ATOM 961 CD PRO A 71 11.552 -4.414 1.966 1.00 0.00 C ATOM 962 HA PRO A 71 9.030 -2.425 2.214 1.00 0.00 H ATOM 963 HB2 PRO A 71 11.334 -1.261 3.087 1.00 0.00 H ATOM 964 HB3 PRO A 71 10.685 -2.725 3.876 1.00 0.00 H ATOM 965 HG2 PRO A 71 12.777 -2.674 1.648 1.00 0.00 H ATOM 966 HG3 PRO A 71 12.958 -3.418 3.243 1.00 0.00 H ATOM 967 HD2 PRO A 71 12.191 -4.911 1.237 1.00 0.00 H ATOM 968 HD3 PRO A 71 11.348 -5.085 2.804 1.00 0.00 H ATOM 969 N ALA A 72 9.409 -1.645 -0.336 1.00 0.00 N ATOM 970 CA ALA A 72 9.549 -0.916 -1.593 1.00 0.00 C ATOM 971 C ALA A 72 8.206 -0.350 -2.062 1.00 0.00 C ATOM 972 O ALA A 72 8.159 0.785 -2.522 1.00 0.00 O ATOM 973 CB ALA A 72 10.181 -1.833 -2.641 1.00 0.00 C ATOM 974 H ALA A 72 8.672 -2.334 -0.240 1.00 0.00 H ATOM 975 HA ALA A 72 10.218 -0.063 -1.453 1.00 0.00 H ATOM 976 HB1 ALA A 72 9.496 -2.637 -2.908 1.00 0.00 H ATOM 977 HB2 ALA A 72 10.414 -1.253 -3.533 1.00 0.00 H ATOM 978 HB3 ALA A 72 11.104 -2.261 -2.247 1.00 0.00 H ATOM 979 N LYS A 73 7.122 -1.127 -1.908 1.00 0.00 N ATOM 980 CA LYS A 73 5.735 -0.720 -2.144 1.00 0.00 C ATOM 981 C LYS A 73 5.506 0.042 -3.455 1.00 0.00 C ATOM 982 O LYS A 73 5.157 1.215 -3.448 1.00 0.00 O ATOM 983 CB LYS A 73 5.100 -0.069 -0.896 1.00 0.00 C ATOM 984 CG LYS A 73 5.864 1.021 -0.114 1.00 0.00 C ATOM 985 CD LYS A 73 5.959 2.434 -0.712 1.00 0.00 C ATOM 986 CE LYS A 73 4.649 3.105 -1.160 1.00 0.00 C ATOM 987 NZ LYS A 73 3.942 3.834 -0.088 1.00 0.00 N ATOM 988 H LYS A 73 7.270 -2.090 -1.621 1.00 0.00 H ATOM 989 HA LYS A 73 5.177 -1.646 -2.287 1.00 0.00 H ATOM 990 HB2 LYS A 73 4.110 0.293 -1.163 1.00 0.00 H ATOM 991 HB3 LYS A 73 4.954 -0.883 -0.185 1.00 0.00 H ATOM 992 HG2 LYS A 73 5.367 1.132 0.842 1.00 0.00 H ATOM 993 HG3 LYS A 73 6.870 0.665 0.115 1.00 0.00 H ATOM 994 HD2 LYS A 73 6.440 3.077 0.027 1.00 0.00 H ATOM 995 HD3 LYS A 73 6.615 2.399 -1.576 1.00 0.00 H ATOM 996 HE2 LYS A 73 4.925 3.870 -1.886 1.00 0.00 H ATOM 997 HE3 LYS A 73 3.954 2.420 -1.634 1.00 0.00 H ATOM 998 HZ2 LYS A 73 3.456 4.526 -0.657 1.00 0.00 H ATOM 999 HZ3 LYS A 73 4.679 4.354 0.380 1.00 0.00 H ATOM 1000 N TYR A 74 5.652 -0.666 -4.580 1.00 0.00 N ATOM 1001 CA TYR A 74 5.524 -0.107 -5.926 1.00 0.00 C ATOM 1002 C TYR A 74 5.471 -1.163 -7.059 1.00 0.00 C ATOM 1003 O TYR A 74 6.477 -1.437 -7.714 1.00 0.00 O ATOM 1004 CB TYR A 74 6.672 0.905 -6.179 1.00 0.00 C ATOM 1005 CG TYR A 74 6.454 2.406 -6.007 1.00 0.00 C ATOM 1006 CD1 TYR A 74 5.192 3.001 -5.783 1.00 0.00 C ATOM 1007 CD2 TYR A 74 7.565 3.239 -6.238 1.00 0.00 C ATOM 1008 CE1 TYR A 74 5.066 4.402 -5.750 1.00 0.00 C ATOM 1009 CE2 TYR A 74 7.427 4.635 -6.260 1.00 0.00 C ATOM 1010 CZ TYR A 74 6.183 5.215 -5.989 1.00 0.00 C ATOM 1011 OH TYR A 74 6.062 6.569 -5.970 1.00 0.00 O ATOM 1012 H TYR A 74 5.932 -1.623 -4.468 1.00 0.00 H ATOM 1013 HA TYR A 74 4.559 0.389 -5.969 1.00 0.00 H ATOM 1014 HB2 TYR A 74 7.523 0.616 -5.559 1.00 0.00 H ATOM 1015 HB3 TYR A 74 7.007 0.822 -7.213 1.00 0.00 H ATOM 1016 HD1 TYR A 74 4.307 2.421 -5.582 1.00 0.00 H ATOM 1017 HD2 TYR A 74 8.528 2.806 -6.434 1.00 0.00 H ATOM 1018 HE1 TYR A 74 4.104 4.843 -5.532 1.00 0.00 H ATOM 1019 HE2 TYR A 74 8.279 5.263 -6.472 1.00 0.00 H ATOM 1020 HH TYR A 74 5.186 6.843 -5.692 1.00 0.00 H ATOM 1021 N ILE A 75 4.260 -1.628 -7.430 1.00 0.00 N ATOM 1022 CA ILE A 75 4.006 -2.236 -8.740 1.00 0.00 C ATOM 1023 C ILE A 75 4.632 -1.505 -9.957 1.00 0.00 C ATOM 1024 O ILE A 75 5.078 -2.196 -10.872 1.00 0.00 O ATOM 1025 CB ILE A 75 2.496 -2.613 -8.829 1.00 0.00 C ATOM 1026 CG1 ILE A 75 2.274 -4.106 -8.596 1.00 0.00 C ATOM 1027 CG2 ILE A 75 1.595 -2.229 -10.007 1.00 0.00 C ATOM 1028 CD1 ILE A 75 2.829 -4.968 -9.705 1.00 0.00 C ATOM 1029 H ILE A 75 3.438 -1.504 -6.860 1.00 0.00 H ATOM 1030 HA ILE A 75 4.559 -3.169 -8.705 1.00 0.00 H ATOM 1031 HB ILE A 75 2.005 -2.102 -8.014 1.00 0.00 H ATOM 1032 HG12 ILE A 75 2.776 -4.439 -7.701 1.00 0.00 H ATOM 1033 HG13 ILE A 75 1.207 -4.301 -8.516 1.00 0.00 H ATOM 1034 HG21 ILE A 75 2.160 -1.969 -10.893 1.00 0.00 H ATOM 1035 HG22 ILE A 75 0.949 -3.061 -10.278 1.00 0.00 H ATOM 1036 HG23 ILE A 75 0.901 -1.446 -9.683 1.00 0.00 H ATOM 1037 HD11 ILE A 75 2.671 -4.513 -10.679 1.00 0.00 H ATOM 1038 HD12 ILE A 75 3.889 -5.089 -9.508 1.00 0.00 H ATOM 1039 HD13 ILE A 75 2.320 -5.927 -9.647 1.00 0.00 H ATOM 1040 N PRO A 76 4.733 -0.156 -10.015 1.00 0.00 N ATOM 1041 CA PRO A 76 5.193 0.521 -11.228 1.00 0.00 C ATOM 1042 C PRO A 76 6.719 0.602 -11.465 1.00 0.00 C ATOM 1043 O PRO A 76 7.106 1.339 -12.369 1.00 0.00 O ATOM 1044 CB PRO A 76 4.532 1.907 -11.202 1.00 0.00 C ATOM 1045 CG PRO A 76 4.337 2.195 -9.720 1.00 0.00 C ATOM 1046 CD PRO A 76 4.146 0.816 -9.096 1.00 0.00 C ATOM 1047 HA PRO A 76 4.792 0.002 -12.100 1.00 0.00 H ATOM 1048 HB2 PRO A 76 5.126 2.686 -11.682 1.00 0.00 H ATOM 1049 HB3 PRO A 76 3.558 1.853 -11.685 1.00 0.00 H ATOM 1050 HG2 PRO A 76 5.249 2.646 -9.323 1.00 0.00 H ATOM 1051 HG3 PRO A 76 3.488 2.852 -9.528 1.00 0.00 H ATOM 1052 HD2 PRO A 76 4.664 0.881 -8.151 1.00 0.00 H ATOM 1053 HD3 PRO A 76 3.091 0.602 -8.927 1.00 0.00 H ATOM 1054 N GLY A 77 7.586 -0.158 -10.765 1.00 0.00 N ATOM 1055 CA GLY A 77 8.947 -0.415 -11.284 1.00 0.00 C ATOM 1056 C GLY A 77 10.162 -0.237 -10.355 1.00 0.00 C ATOM 1057 O GLY A 77 11.280 -0.492 -10.799 1.00 0.00 O ATOM 1058 H GLY A 77 7.231 -0.751 -10.027 1.00 0.00 H ATOM 1059 HA2 GLY A 77 8.975 -1.418 -11.707 1.00 0.00 H ATOM 1060 HA3 GLY A 77 9.172 0.268 -12.105 1.00 0.00 H ATOM 1061 N THR A 78 10.003 0.299 -9.137 1.00 0.00 N ATOM 1062 CA THR A 78 10.995 1.270 -8.640 1.00 0.00 C ATOM 1063 C THR A 78 11.186 1.285 -7.106 1.00 0.00 C ATOM 1064 O THR A 78 10.228 1.130 -6.359 1.00 0.00 O ATOM 1065 CB THR A 78 10.509 2.664 -9.114 1.00 0.00 C ATOM 1066 OG1 THR A 78 10.154 2.660 -10.483 1.00 0.00 O ATOM 1067 CG2 THR A 78 11.499 3.828 -8.935 1.00 0.00 C ATOM 1068 H THR A 78 9.058 0.404 -8.801 1.00 0.00 H ATOM 1069 HA THR A 78 11.969 1.061 -9.087 1.00 0.00 H ATOM 1070 HB THR A 78 9.574 2.875 -8.585 1.00 0.00 H ATOM 1071 HG1 THR A 78 10.944 2.756 -11.020 1.00 0.00 H ATOM 1072 HG21 THR A 78 12.241 3.256 -9.491 1.00 0.00 H ATOM 1073 HG22 THR A 78 12.411 3.874 -8.345 1.00 0.00 H ATOM 1074 HG23 THR A 78 11.170 3.890 -7.899 1.00 0.00 H ATOM 1075 N ALA A 79 12.407 1.592 -6.636 1.00 0.00 N ATOM 1076 CA ALA A 79 12.708 2.233 -5.351 1.00 0.00 C ATOM 1077 C ALA A 79 12.402 1.413 -4.087 1.00 0.00 C ATOM 1078 O ALA A 79 12.416 0.184 -4.141 1.00 0.00 O ATOM 1079 CB ALA A 79 12.166 3.665 -5.315 1.00 0.00 C ATOM 1080 H ALA A 79 13.203 1.471 -7.237 1.00 0.00 H ATOM 1081 HA ALA A 79 13.795 2.332 -5.347 1.00 0.00 H ATOM 1082 HB1 ALA A 79 12.552 4.220 -6.166 1.00 0.00 H ATOM 1083 HB2 ALA A 79 11.076 3.655 -5.333 1.00 0.00 H ATOM 1084 HB3 ALA A 79 12.516 4.188 -4.427 1.00 0.00 H ATOM 1085 N MET A 80 12.367 2.080 -2.914 1.00 0.00 N ATOM 1086 CA MET A 80 13.145 1.562 -1.807 1.00 0.00 C ATOM 1087 C MET A 80 12.910 2.279 -0.448 1.00 0.00 C ATOM 1088 O MET A 80 12.542 1.635 0.531 1.00 0.00 O ATOM 1089 CB MET A 80 14.615 1.704 -2.220 1.00 0.00 C ATOM 1090 CG MET A 80 15.517 0.777 -1.409 1.00 0.00 C ATOM 1091 SD MET A 80 17.191 1.411 -1.173 1.00 0.00 S ATOM 1092 CE MET A 80 16.835 2.720 0.014 1.00 0.00 C ATOM 1093 H MET A 80 12.263 3.079 -2.869 1.00 0.00 H ATOM 1094 HA MET A 80 12.907 0.500 -1.727 1.00 0.00 H ATOM 1095 HB2 MET A 80 14.785 1.442 -3.265 1.00 0.00 H ATOM 1096 HB3 MET A 80 14.911 2.746 -2.112 1.00 0.00 H ATOM 1097 HG2 MET A 80 15.094 0.581 -0.426 1.00 0.00 H ATOM 1098 HG3 MET A 80 15.580 -0.165 -1.954 1.00 0.00 H ATOM 1099 HE1 MET A 80 16.110 3.410 -0.404 1.00 0.00 H ATOM 1100 HE2 MET A 80 16.438 2.272 0.923 1.00 0.00 H ATOM 1101 HE3 MET A 80 17.755 3.256 0.234 1.00 0.00 H ATOM 1102 N ALA A 81 13.196 3.593 -0.319 1.00 0.00 N ATOM 1103 CA ALA A 81 13.462 4.214 1.003 1.00 0.00 C ATOM 1104 C ALA A 81 12.249 4.408 1.938 1.00 0.00 C ATOM 1105 O ALA A 81 12.295 5.253 2.828 1.00 0.00 O ATOM 1106 CB ALA A 81 14.310 5.504 0.943 1.00 0.00 C ATOM 1107 H ALA A 81 13.459 4.105 -1.146 1.00 0.00 H ATOM 1108 HA ALA A 81 14.134 3.529 1.522 1.00 0.00 H ATOM 1109 HB1 ALA A 81 13.722 6.383 0.675 1.00 0.00 H ATOM 1110 HB2 ALA A 81 14.708 5.701 1.947 1.00 0.00 H ATOM 1111 HB3 ALA A 81 15.166 5.405 0.277 1.00 0.00 H ATOM 1112 N PHE A 82 11.220 3.561 1.848 1.00 0.00 N ATOM 1113 CA PHE A 82 10.417 3.224 3.021 1.00 0.00 C ATOM 1114 C PHE A 82 11.328 2.651 4.142 1.00 0.00 C ATOM 1115 O PHE A 82 11.124 2.929 5.321 1.00 0.00 O ATOM 1116 CB PHE A 82 9.250 2.327 2.579 1.00 0.00 C ATOM 1117 CG PHE A 82 8.607 1.545 3.700 1.00 0.00 C ATOM 1118 CD1 PHE A 82 8.375 2.163 4.938 1.00 0.00 C ATOM 1119 CD2 PHE A 82 8.573 0.148 3.611 1.00 0.00 C ATOM 1120 CE1 PHE A 82 8.293 1.393 6.107 1.00 0.00 C ATOM 1121 CE2 PHE A 82 8.580 -0.624 4.782 1.00 0.00 C ATOM 1122 CZ PHE A 82 8.528 0.012 6.037 1.00 0.00 C ATOM 1123 H PHE A 82 11.256 2.874 1.107 1.00 0.00 H ATOM 1124 HA PHE A 82 9.984 4.144 3.418 1.00 0.00 H ATOM 1125 HB2 PHE A 82 8.487 2.950 2.109 1.00 0.00 H ATOM 1126 HB3 PHE A 82 9.614 1.626 1.826 1.00 0.00 H ATOM 1127 HD1 PHE A 82 8.514 3.229 5.035 1.00 0.00 H ATOM 1128 HD2 PHE A 82 8.698 -0.316 2.649 1.00 0.00 H ATOM 1129 HE1 PHE A 82 8.217 1.879 7.070 1.00 0.00 H ATOM 1130 HE2 PHE A 82 8.707 -1.691 4.701 1.00 0.00 H ATOM 1131 HZ PHE A 82 8.771 -0.519 6.953 1.00 0.00 H ATOM 1132 N GLY A 83 12.462 2.039 3.772 1.00 0.00 N ATOM 1133 CA GLY A 83 13.707 2.649 4.266 1.00 0.00 C ATOM 1134 C GLY A 83 14.584 1.880 5.247 1.00 0.00 C ATOM 1135 O GLY A 83 15.298 2.496 6.031 1.00 0.00 O ATOM 1136 H GLY A 83 12.487 1.717 2.810 1.00 0.00 H ATOM 1137 HA2 GLY A 83 14.360 2.809 3.418 1.00 0.00 H ATOM 1138 HA3 GLY A 83 13.507 3.623 4.713 1.00 0.00 H ATOM 1139 N GLY A 84 14.613 0.554 5.165 1.00 0.00 N ATOM 1140 CA GLY A 84 15.587 -0.253 5.891 1.00 0.00 C ATOM 1141 C GLY A 84 14.910 -1.023 7.027 1.00 0.00 C ATOM 1142 O GLY A 84 15.553 -1.412 7.995 1.00 0.00 O ATOM 1143 H GLY A 84 13.869 0.085 4.679 1.00 0.00 H ATOM 1144 HA2 GLY A 84 16.030 -0.963 5.190 1.00 0.00 H ATOM 1145 HA3 GLY A 84 16.413 0.340 6.283 1.00 0.00 H ATOM 1146 N LEU A 85 13.612 -1.311 6.858 1.00 0.00 N ATOM 1147 CA LEU A 85 13.124 -2.671 6.851 1.00 0.00 C ATOM 1148 C LEU A 85 13.765 -3.416 5.663 1.00 0.00 C ATOM 1149 O LEU A 85 14.557 -2.874 4.895 1.00 0.00 O ATOM 1150 CB LEU A 85 11.586 -2.588 6.793 1.00 0.00 C ATOM 1151 CG LEU A 85 10.804 -3.903 6.592 1.00 0.00 C ATOM 1152 CD1 LEU A 85 11.260 -5.046 7.522 1.00 0.00 C ATOM 1153 CD2 LEU A 85 9.305 -3.640 6.775 1.00 0.00 C ATOM 1154 H LEU A 85 13.099 -0.776 6.189 1.00 0.00 H ATOM 1155 HA LEU A 85 13.429 -3.164 7.774 1.00 0.00 H ATOM 1156 HB2 LEU A 85 11.255 -2.120 7.721 1.00 0.00 H ATOM 1157 HB3 LEU A 85 11.311 -1.917 5.977 1.00 0.00 H ATOM 1158 HG LEU A 85 10.946 -4.199 5.550 1.00 0.00 H ATOM 1159 HD11 LEU A 85 10.699 -5.692 8.190 1.00 0.00 H ATOM 1160 HD12 LEU A 85 11.071 -4.388 8.369 1.00 0.00 H ATOM 1161 HD13 LEU A 85 10.628 -5.679 6.896 1.00 0.00 H ATOM 1162 HD21 LEU A 85 8.733 -4.226 6.055 1.00 0.00 H ATOM 1163 HD22 LEU A 85 8.989 -3.888 7.785 1.00 0.00 H ATOM 1164 HD23 LEU A 85 9.085 -2.597 6.620 1.00 0.00 H ATOM 1165 N LYS A 86 13.478 -4.703 5.582 1.00 0.00 N ATOM 1166 CA LYS A 86 14.415 -5.701 5.119 1.00 0.00 C ATOM 1167 C LYS A 86 13.748 -6.956 4.555 1.00 0.00 C ATOM 1168 O LYS A 86 14.281 -7.568 3.635 1.00 0.00 O ATOM 1169 CB LYS A 86 15.191 -6.104 6.382 1.00 0.00 C ATOM 1170 CG LYS A 86 16.689 -6.253 6.169 1.00 0.00 C ATOM 1171 CD LYS A 86 17.365 -4.885 6.065 1.00 0.00 C ATOM 1172 CE LYS A 86 17.115 -3.973 7.269 1.00 0.00 C ATOM 1173 NZ LYS A 86 17.282 -4.668 8.554 1.00 0.00 N ATOM 1174 H LYS A 86 12.922 -4.982 6.355 1.00 0.00 H ATOM 1175 HA LYS A 86 15.078 -5.299 4.350 1.00 0.00 H ATOM 1176 HB2 LYS A 86 14.998 -5.428 7.213 1.00 0.00 H ATOM 1177 HB3 LYS A 86 14.820 -7.051 6.728 1.00 0.00 H ATOM 1178 HG2 LYS A 86 17.105 -6.799 7.017 1.00 0.00 H ATOM 1179 HG3 LYS A 86 16.873 -6.834 5.265 1.00 0.00 H ATOM 1180 HD2 LYS A 86 18.426 -5.069 5.990 1.00 0.00 H ATOM 1181 HD3 LYS A 86 17.040 -4.372 5.161 1.00 0.00 H ATOM 1182 HE2 LYS A 86 17.798 -3.126 7.236 1.00 0.00 H ATOM 1183 HE3 LYS A 86 16.097 -3.607 7.218 1.00 0.00 H ATOM 1184 HZ2 LYS A 86 17.069 -4.001 9.283 1.00 0.00 H ATOM 1185 HZ3 LYS A 86 18.241 -4.968 8.647 1.00 0.00 H ATOM 1186 N LYS A 87 12.718 -7.453 5.251 1.00 0.00 N ATOM 1187 CA LYS A 87 12.797 -8.828 5.741 1.00 0.00 C ATOM 1188 C LYS A 87 11.653 -9.709 5.274 1.00 0.00 C ATOM 1189 O LYS A 87 10.588 -9.221 4.918 1.00 0.00 O ATOM 1190 CB LYS A 87 12.844 -8.822 7.286 1.00 0.00 C ATOM 1191 CG LYS A 87 13.863 -9.821 7.868 1.00 0.00 C ATOM 1192 CD LYS A 87 15.316 -9.382 7.629 1.00 0.00 C ATOM 1193 CE LYS A 87 16.337 -10.500 7.832 1.00 0.00 C ATOM 1194 NZ LYS A 87 16.279 -11.076 9.181 1.00 0.00 N ATOM 1195 H LYS A 87 12.109 -6.842 5.778 1.00 0.00 H ATOM 1196 HA LYS A 87 13.694 -9.299 5.349 1.00 0.00 H ATOM 1197 HB2 LYS A 87 13.063 -7.829 7.674 1.00 0.00 H ATOM 1198 HB3 LYS A 87 11.854 -9.077 7.666 1.00 0.00 H ATOM 1199 HG2 LYS A 87 13.697 -9.887 8.944 1.00 0.00 H ATOM 1200 HG3 LYS A 87 13.702 -10.806 7.437 1.00 0.00 H ATOM 1201 HD2 LYS A 87 15.451 -9.067 6.597 1.00 0.00 H ATOM 1202 HD3 LYS A 87 15.553 -8.550 8.295 1.00 0.00 H ATOM 1203 HE2 LYS A 87 16.163 -11.286 7.098 1.00 0.00 H ATOM 1204 HE3 LYS A 87 17.330 -10.080 7.672 1.00 0.00 H ATOM 1205 HZ2 LYS A 87 15.426 -11.620 9.290 1.00 0.00 H ATOM 1206 HZ3 LYS A 87 16.306 -10.337 9.867 1.00 0.00 H ATOM 1207 N GLU A 88 11.879 -11.017 5.413 1.00 0.00 N ATOM 1208 CA GLU A 88 10.854 -12.017 5.651 1.00 0.00 C ATOM 1209 C GLU A 88 9.521 -11.753 4.939 1.00 0.00 C ATOM 1210 O GLU A 88 9.328 -12.166 3.794 1.00 0.00 O ATOM 1211 CB GLU A 88 10.731 -12.197 7.182 1.00 0.00 C ATOM 1212 CG GLU A 88 11.670 -13.306 7.678 1.00 0.00 C ATOM 1213 CD GLU A 88 11.939 -13.207 9.173 1.00 0.00 C ATOM 1214 OE1 GLU A 88 10.950 -13.289 9.931 1.00 0.00 O ATOM 1215 OE2 GLU A 88 13.127 -13.019 9.517 1.00 0.00 O ATOM 1216 H GLU A 88 12.809 -11.296 5.680 1.00 0.00 H ATOM 1217 HA GLU A 88 11.210 -12.960 5.236 1.00 0.00 H ATOM 1218 HB2 GLU A 88 10.985 -11.265 7.690 1.00 0.00 H ATOM 1219 HB3 GLU A 88 9.727 -12.483 7.500 1.00 0.00 H ATOM 1220 HG2 GLU A 88 11.206 -14.272 7.479 1.00 0.00 H ATOM 1221 HG3 GLU A 88 12.628 -13.259 7.164 1.00 0.00 H ATOM 1222 N LYS A 89 8.547 -11.220 5.679 1.00 0.00 N ATOM 1223 CA LYS A 89 7.189 -11.712 5.514 1.00 0.00 C ATOM 1224 C LYS A 89 6.174 -10.884 6.302 1.00 0.00 C ATOM 1225 O LYS A 89 5.220 -11.441 6.834 1.00 0.00 O ATOM 1226 CB LYS A 89 7.195 -13.194 5.958 1.00 0.00 C ATOM 1227 CG LYS A 89 6.128 -14.034 5.255 1.00 0.00 C ATOM 1228 CD LYS A 89 6.220 -15.502 5.690 1.00 0.00 C ATOM 1229 CE LYS A 89 7.067 -16.407 4.783 1.00 0.00 C ATOM 1230 NZ LYS A 89 8.338 -15.800 4.363 1.00 0.00 N ATOM 1231 H LYS A 89 8.804 -10.810 6.565 1.00 0.00 H ATOM 1232 HA LYS A 89 6.912 -11.638 4.463 1.00 0.00 H ATOM 1233 HB2 LYS A 89 8.148 -13.667 5.736 1.00 0.00 H ATOM 1234 HB3 LYS A 89 7.064 -13.251 7.040 1.00 0.00 H ATOM 1235 HG2 LYS A 89 5.161 -13.652 5.564 1.00 0.00 H ATOM 1236 HG3 LYS A 89 6.220 -13.948 4.172 1.00 0.00 H ATOM 1237 HD2 LYS A 89 6.611 -15.547 6.707 1.00 0.00 H ATOM 1238 HD3 LYS A 89 5.210 -15.914 5.704 1.00 0.00 H ATOM 1239 HE2 LYS A 89 7.300 -17.318 5.334 1.00 0.00 H ATOM 1240 HE3 LYS A 89 6.504 -16.671 3.889 1.00 0.00 H ATOM 1241 HZ2 LYS A 89 8.177 -15.175 3.585 1.00 0.00 H ATOM 1242 HZ3 LYS A 89 8.980 -16.526 4.082 1.00 0.00 H ATOM 1243 N ASP A 90 6.335 -9.558 6.366 1.00 0.00 N ATOM 1244 CA ASP A 90 5.356 -8.714 7.042 1.00 0.00 C ATOM 1245 C ASP A 90 4.136 -8.471 6.151 1.00 0.00 C ATOM 1246 O ASP A 90 2.974 -8.613 6.542 1.00 0.00 O ATOM 1247 CB ASP A 90 5.967 -7.397 7.555 1.00 0.00 C ATOM 1248 CG ASP A 90 7.123 -6.850 6.760 1.00 0.00 C ATOM 1249 OD1 ASP A 90 7.128 -7.095 5.533 1.00 0.00 O ATOM 1250 OD2 ASP A 90 7.955 -6.199 7.436 1.00 0.00 O ATOM 1251 H ASP A 90 7.053 -9.082 5.824 1.00 0.00 H ATOM 1252 HA ASP A 90 5.038 -9.291 7.897 1.00 0.00 H ATOM 1253 HB2 ASP A 90 5.197 -6.628 7.571 1.00 0.00 H ATOM 1254 HB3 ASP A 90 6.353 -7.548 8.560 1.00 0.00 H ATOM 1255 N ARG A 91 4.428 -8.130 4.902 1.00 0.00 N ATOM 1256 CA ARG A 91 3.425 -8.020 3.861 1.00 0.00 C ATOM 1257 C ARG A 91 2.442 -9.200 3.862 1.00 0.00 C ATOM 1258 O ARG A 91 1.248 -8.991 3.674 1.00 0.00 O ATOM 1259 CB ARG A 91 4.164 -7.826 2.528 1.00 0.00 C ATOM 1260 CG ARG A 91 3.292 -7.660 1.276 1.00 0.00 C ATOM 1261 CD ARG A 91 2.487 -8.919 0.985 1.00 0.00 C ATOM 1262 NE ARG A 91 2.592 -9.494 -0.363 1.00 0.00 N ATOM 1263 CZ ARG A 91 2.117 -10.736 -0.540 1.00 0.00 C ATOM 1264 NH1 ARG A 91 1.219 -11.233 0.302 1.00 0.00 N ATOM 1265 NH2 ARG A 91 2.538 -11.540 -1.494 1.00 0.00 N ATOM 1266 H ARG A 91 5.404 -7.892 4.721 1.00 0.00 H ATOM 1267 HA ARG A 91 2.828 -7.150 4.090 1.00 0.00 H ATOM 1268 HB2 ARG A 91 4.787 -6.934 2.622 1.00 0.00 H ATOM 1269 HB3 ARG A 91 4.817 -8.683 2.376 1.00 0.00 H ATOM 1270 HG2 ARG A 91 2.639 -6.795 1.403 1.00 0.00 H ATOM 1271 HG3 ARG A 91 3.946 -7.501 0.438 1.00 0.00 H ATOM 1272 HD2 ARG A 91 2.918 -9.715 1.581 1.00 0.00 H ATOM 1273 HD3 ARG A 91 1.456 -8.715 1.256 1.00 0.00 H ATOM 1274 HE ARG A 91 3.276 -9.119 -1.008 1.00 0.00 H ATOM 1275 HH11 ARG A 91 0.884 -10.652 1.051 1.00 0.00 H ATOM 1276 HH12 ARG A 91 0.904 -12.186 0.232 1.00 0.00 H ATOM 1277 HH21 ARG A 91 3.010 -11.217 -2.330 1.00 0.00 H ATOM 1278 HH22 ARG A 91 2.183 -12.477 -1.542 1.00 0.00 H ATOM 1279 N ASN A 92 2.920 -10.443 3.990 1.00 0.00 N ATOM 1280 CA ASN A 92 2.078 -11.639 3.886 1.00 0.00 C ATOM 1281 C ASN A 92 0.845 -11.537 4.799 1.00 0.00 C ATOM 1282 O ASN A 92 -0.292 -11.525 4.322 1.00 0.00 O ATOM 1283 CB ASN A 92 2.935 -12.875 4.164 1.00 0.00 C ATOM 1284 CG ASN A 92 2.286 -14.152 3.648 1.00 0.00 C ATOM 1285 OD1 ASN A 92 1.813 -14.206 2.518 1.00 0.00 O ATOM 1286 ND2 ASN A 92 2.270 -15.201 4.454 1.00 0.00 N ATOM 1287 H ASN A 92 3.905 -10.552 4.182 1.00 0.00 H ATOM 1288 HA ASN A 92 1.715 -11.733 2.865 1.00 0.00 H ATOM 1289 HB2 ASN A 92 3.887 -12.771 3.642 1.00 0.00 H ATOM 1290 HB3 ASN A 92 3.119 -12.949 5.235 1.00 0.00 H ATOM 1291 HD21 ASN A 92 2.634 -15.127 5.393 1.00 0.00 H ATOM 1292 HD22 ASN A 92 1.843 -16.047 4.114 1.00 0.00 H ATOM 1293 N ASP A 93 1.085 -11.381 6.100 1.00 0.00 N ATOM 1294 CA ASP A 93 0.080 -11.147 7.120 1.00 0.00 C ATOM 1295 C ASP A 93 -0.768 -9.891 6.846 1.00 0.00 C ATOM 1296 O ASP A 93 -1.992 -9.945 6.915 1.00 0.00 O ATOM 1297 CB ASP A 93 0.803 -11.083 8.462 1.00 0.00 C ATOM 1298 CG ASP A 93 1.389 -12.432 8.842 1.00 0.00 C ATOM 1299 OD1 ASP A 93 2.260 -12.904 8.079 1.00 0.00 O ATOM 1300 OD2 ASP A 93 0.931 -12.971 9.870 1.00 0.00 O ATOM 1301 H ASP A 93 2.030 -11.511 6.451 1.00 0.00 H ATOM 1302 HA ASP A 93 -0.581 -12.011 7.165 1.00 0.00 H ATOM 1303 HB2 ASP A 93 1.610 -10.359 8.413 1.00 0.00 H ATOM 1304 HB3 ASP A 93 0.092 -10.796 9.234 1.00 0.00 H ATOM 1305 N LEU A 94 -0.142 -8.760 6.504 1.00 0.00 N ATOM 1306 CA LEU A 94 -0.845 -7.526 6.126 1.00 0.00 C ATOM 1307 C LEU A 94 -1.870 -7.749 5.000 1.00 0.00 C ATOM 1308 O LEU A 94 -3.063 -7.507 5.176 1.00 0.00 O ATOM 1309 CB LEU A 94 0.216 -6.469 5.797 1.00 0.00 C ATOM 1310 CG LEU A 94 -0.168 -5.236 4.957 1.00 0.00 C ATOM 1311 CD1 LEU A 94 -1.554 -4.638 5.224 1.00 0.00 C ATOM 1312 CD2 LEU A 94 0.925 -4.195 5.197 1.00 0.00 C ATOM 1313 H LEU A 94 0.875 -8.780 6.479 1.00 0.00 H ATOM 1314 HA LEU A 94 -1.404 -7.171 6.993 1.00 0.00 H ATOM 1315 HB2 LEU A 94 0.631 -6.145 6.752 1.00 0.00 H ATOM 1316 HB3 LEU A 94 1.017 -6.958 5.253 1.00 0.00 H ATOM 1317 HG LEU A 94 -0.133 -5.494 3.902 1.00 0.00 H ATOM 1318 HD11 LEU A 94 -1.803 -4.679 6.283 1.00 0.00 H ATOM 1319 HD12 LEU A 94 -1.601 -3.607 4.867 1.00 0.00 H ATOM 1320 HD13 LEU A 94 -2.294 -5.189 4.652 1.00 0.00 H ATOM 1321 HD21 LEU A 94 0.993 -3.987 6.263 1.00 0.00 H ATOM 1322 HD22 LEU A 94 1.887 -4.591 4.873 1.00 0.00 H ATOM 1323 HD23 LEU A 94 0.704 -3.284 4.638 1.00 0.00 H ATOM 1324 N ILE A 95 -1.420 -8.236 3.844 1.00 0.00 N ATOM 1325 CA ILE A 95 -2.283 -8.598 2.723 1.00 0.00 C ATOM 1326 C ILE A 95 -3.326 -9.645 3.164 1.00 0.00 C ATOM 1327 O ILE A 95 -4.482 -9.523 2.775 1.00 0.00 O ATOM 1328 CB ILE A 95 -1.438 -8.965 1.479 1.00 0.00 C ATOM 1329 CG1 ILE A 95 -1.010 -7.730 0.627 1.00 0.00 C ATOM 1330 CG2 ILE A 95 -2.142 -9.997 0.587 1.00 0.00 C ATOM 1331 CD1 ILE A 95 -0.420 -6.577 1.429 1.00 0.00 C ATOM 1332 H ILE A 95 -0.433 -8.449 3.784 1.00 0.00 H ATOM 1333 HA ILE A 95 -2.860 -7.717 2.447 1.00 0.00 H ATOM 1334 HB ILE A 95 -0.543 -9.462 1.844 1.00 0.00 H ATOM 1335 HG12 ILE A 95 -0.240 -7.998 -0.095 1.00 0.00 H ATOM 1336 HG13 ILE A 95 -1.830 -7.292 0.058 1.00 0.00 H ATOM 1337 HG21 ILE A 95 -3.151 -9.669 0.345 1.00 0.00 H ATOM 1338 HG22 ILE A 95 -1.580 -10.139 -0.336 1.00 0.00 H ATOM 1339 HG23 ILE A 95 -2.198 -10.958 1.101 1.00 0.00 H ATOM 1340 HD11 ILE A 95 0.205 -6.950 2.236 1.00 0.00 H ATOM 1341 HD12 ILE A 95 0.190 -5.964 0.773 1.00 0.00 H ATOM 1342 HD13 ILE A 95 -1.228 -5.952 1.803 1.00 0.00 H ATOM 1343 N THR A 96 -2.973 -10.623 4.013 1.00 0.00 N ATOM 1344 CA THR A 96 -3.958 -11.503 4.673 1.00 0.00 C ATOM 1345 C THR A 96 -5.067 -10.707 5.392 1.00 0.00 C ATOM 1346 O THR A 96 -6.259 -10.932 5.168 1.00 0.00 O ATOM 1347 CB THR A 96 -3.257 -12.511 5.614 1.00 0.00 C ATOM 1348 OG1 THR A 96 -3.181 -13.770 4.983 1.00 0.00 O ATOM 1349 CG2 THR A 96 -3.906 -12.731 6.988 1.00 0.00 C ATOM 1350 H THR A 96 -1.993 -10.714 4.269 1.00 0.00 H ATOM 1351 HA THR A 96 -4.437 -12.076 3.879 1.00 0.00 H ATOM 1352 HB THR A 96 -2.241 -12.182 5.797 1.00 0.00 H ATOM 1353 HG1 THR A 96 -2.539 -13.716 4.271 1.00 0.00 H ATOM 1354 HG21 THR A 96 -3.351 -13.507 7.517 1.00 0.00 H ATOM 1355 HG22 THR A 96 -3.860 -11.826 7.595 1.00 0.00 H ATOM 1356 HG23 THR A 96 -4.941 -13.056 6.879 1.00 0.00 H ATOM 1357 N TYR A 97 -4.678 -9.753 6.243 1.00 0.00 N ATOM 1358 CA TYR A 97 -5.595 -8.886 6.978 1.00 0.00 C ATOM 1359 C TYR A 97 -6.494 -8.101 6.022 1.00 0.00 C ATOM 1360 O TYR A 97 -7.711 -8.085 6.179 1.00 0.00 O ATOM 1361 CB TYR A 97 -4.818 -7.938 7.909 1.00 0.00 C ATOM 1362 CG TYR A 97 -5.174 -8.102 9.372 1.00 0.00 C ATOM 1363 CD1 TYR A 97 -6.389 -7.586 9.862 1.00 0.00 C ATOM 1364 CD2 TYR A 97 -4.321 -8.821 10.229 1.00 0.00 C ATOM 1365 CE1 TYR A 97 -6.737 -7.769 11.211 1.00 0.00 C ATOM 1366 CE2 TYR A 97 -4.670 -8.997 11.579 1.00 0.00 C ATOM 1367 CZ TYR A 97 -5.876 -8.473 12.067 1.00 0.00 C ATOM 1368 OH TYR A 97 -6.205 -8.643 13.376 1.00 0.00 O ATOM 1369 H TYR A 97 -3.682 -9.620 6.379 1.00 0.00 H ATOM 1370 HA TYR A 97 -6.238 -9.529 7.580 1.00 0.00 H ATOM 1371 HB2 TYR A 97 -3.745 -8.087 7.790 1.00 0.00 H ATOM 1372 HB3 TYR A 97 -5.021 -6.902 7.634 1.00 0.00 H ATOM 1373 HD1 TYR A 97 -7.062 -7.060 9.199 1.00 0.00 H ATOM 1374 HD2 TYR A 97 -3.403 -9.247 9.850 1.00 0.00 H ATOM 1375 HE1 TYR A 97 -7.674 -7.378 11.581 1.00 0.00 H ATOM 1376 HE2 TYR A 97 -4.025 -9.556 12.240 1.00 0.00 H ATOM 1377 HH TYR A 97 -7.062 -8.267 13.580 1.00 0.00 H ATOM 1378 N LEU A 98 -5.897 -7.467 5.009 1.00 0.00 N ATOM 1379 CA LEU A 98 -6.657 -6.802 3.960 1.00 0.00 C ATOM 1380 C LEU A 98 -7.605 -7.775 3.259 1.00 0.00 C ATOM 1381 O LEU A 98 -8.754 -7.428 3.057 1.00 0.00 O ATOM 1382 CB LEU A 98 -5.732 -6.128 2.950 1.00 0.00 C ATOM 1383 CG LEU A 98 -5.005 -4.893 3.499 1.00 0.00 C ATOM 1384 CD1 LEU A 98 -3.904 -4.532 2.502 1.00 0.00 C ATOM 1385 CD2 LEU A 98 -5.924 -3.674 3.652 1.00 0.00 C ATOM 1386 H LEU A 98 -4.883 -7.503 4.951 1.00 0.00 H ATOM 1387 HA LEU A 98 -7.281 -6.038 4.421 1.00 0.00 H ATOM 1388 HB2 LEU A 98 -5.007 -6.879 2.647 1.00 0.00 H ATOM 1389 HB3 LEU A 98 -6.309 -5.826 2.076 1.00 0.00 H ATOM 1390 HG LEU A 98 -4.562 -5.130 4.466 1.00 0.00 H ATOM 1391 HD11 LEU A 98 -3.382 -3.628 2.816 1.00 0.00 H ATOM 1392 HD12 LEU A 98 -3.197 -5.353 2.444 1.00 0.00 H ATOM 1393 HD13 LEU A 98 -4.345 -4.382 1.518 1.00 0.00 H ATOM 1394 HD21 LEU A 98 -6.772 -3.900 4.296 1.00 0.00 H ATOM 1395 HD22 LEU A 98 -5.357 -2.859 4.104 1.00 0.00 H ATOM 1396 HD23 LEU A 98 -6.290 -3.352 2.677 1.00 0.00 H ATOM 1397 N LYS A 99 -7.181 -8.995 2.919 1.00 0.00 N ATOM 1398 CA LYS A 99 -8.091 -10.021 2.403 1.00 0.00 C ATOM 1399 C LYS A 99 -9.301 -10.181 3.323 1.00 0.00 C ATOM 1400 O LYS A 99 -10.422 -9.958 2.889 1.00 0.00 O ATOM 1401 CB LYS A 99 -7.347 -11.351 2.169 1.00 0.00 C ATOM 1402 CG LYS A 99 -7.353 -11.836 0.712 1.00 0.00 C ATOM 1403 CD LYS A 99 -6.828 -10.782 -0.271 1.00 0.00 C ATOM 1404 CE LYS A 99 -6.586 -11.298 -1.699 1.00 0.00 C ATOM 1405 NZ LYS A 99 -6.940 -12.711 -1.889 1.00 0.00 N ATOM 1406 H LYS A 99 -6.215 -9.241 3.097 1.00 0.00 H ATOM 1407 HA LYS A 99 -8.521 -9.658 1.473 1.00 0.00 H ATOM 1408 HB2 LYS A 99 -6.309 -11.260 2.484 1.00 0.00 H ATOM 1409 HB3 LYS A 99 -7.800 -12.138 2.774 1.00 0.00 H ATOM 1410 HG2 LYS A 99 -6.709 -12.717 0.676 1.00 0.00 H ATOM 1411 HG3 LYS A 99 -8.366 -12.121 0.427 1.00 0.00 H ATOM 1412 HD2 LYS A 99 -7.566 -9.986 -0.348 1.00 0.00 H ATOM 1413 HD3 LYS A 99 -5.901 -10.361 0.126 1.00 0.00 H ATOM 1414 HE2 LYS A 99 -7.196 -10.731 -2.400 1.00 0.00 H ATOM 1415 HE3 LYS A 99 -5.536 -11.161 -1.961 1.00 0.00 H ATOM 1416 HZ2 LYS A 99 -7.963 -12.754 -1.870 1.00 0.00 H ATOM 1417 HZ3 LYS A 99 -6.665 -12.960 -2.827 1.00 0.00 H ATOM 1418 N LYS A 100 -9.082 -10.489 4.602 1.00 0.00 N ATOM 1419 CA LYS A 100 -10.175 -10.582 5.576 1.00 0.00 C ATOM 1420 C LYS A 100 -11.041 -9.321 5.681 1.00 0.00 C ATOM 1421 O LYS A 100 -12.245 -9.424 5.892 1.00 0.00 O ATOM 1422 CB LYS A 100 -9.624 -10.982 6.947 1.00 0.00 C ATOM 1423 CG LYS A 100 -9.274 -12.477 6.960 1.00 0.00 C ATOM 1424 CD LYS A 100 -9.965 -13.247 8.100 1.00 0.00 C ATOM 1425 CE LYS A 100 -10.702 -14.475 7.562 1.00 0.00 C ATOM 1426 NZ LYS A 100 -11.385 -15.194 8.644 1.00 0.00 N ATOM 1427 H LYS A 100 -8.119 -10.628 4.899 1.00 0.00 H ATOM 1428 HA LYS A 100 -10.879 -11.344 5.233 1.00 0.00 H ATOM 1429 HB2 LYS A 100 -8.736 -10.392 7.177 1.00 0.00 H ATOM 1430 HB3 LYS A 100 -10.381 -10.752 7.696 1.00 0.00 H ATOM 1431 HG2 LYS A 100 -9.559 -12.920 6.006 1.00 0.00 H ATOM 1432 HG3 LYS A 100 -8.194 -12.577 7.057 1.00 0.00 H ATOM 1433 HD2 LYS A 100 -9.213 -13.565 8.822 1.00 0.00 H ATOM 1434 HD3 LYS A 100 -10.696 -12.628 8.618 1.00 0.00 H ATOM 1435 HE2 LYS A 100 -11.456 -14.165 6.838 1.00 0.00 H ATOM 1436 HE3 LYS A 100 -9.997 -15.152 7.081 1.00 0.00 H ATOM 1437 HZ2 LYS A 100 -11.831 -16.011 8.252 1.00 0.00 H ATOM 1438 HZ3 LYS A 100 -12.092 -14.587 9.032 1.00 0.00 H ATOM 1439 N ALA A 101 -10.439 -8.134 5.616 1.00 0.00 N ATOM 1440 CA ALA A 101 -11.181 -6.880 5.679 1.00 0.00 C ATOM 1441 C ALA A 101 -12.006 -6.594 4.407 1.00 0.00 C ATOM 1442 O ALA A 101 -13.128 -6.096 4.488 1.00 0.00 O ATOM 1443 CB ALA A 101 -10.205 -5.739 5.979 1.00 0.00 C ATOM 1444 H ALA A 101 -9.430 -8.112 5.523 1.00 0.00 H ATOM 1445 HA ALA A 101 -11.868 -6.962 6.522 1.00 0.00 H ATOM 1446 HB1 ALA A 101 -10.755 -4.802 6.080 1.00 0.00 H ATOM 1447 HB2 ALA A 101 -9.674 -5.941 6.910 1.00 0.00 H ATOM 1448 HB3 ALA A 101 -9.485 -5.642 5.168 1.00 0.00 H ATOM 1449 N THR A 102 -11.408 -6.828 3.236 1.00 0.00 N ATOM 1450 CA THR A 102 -11.914 -6.482 1.906 1.00 0.00 C ATOM 1451 C THR A 102 -12.794 -7.577 1.290 1.00 0.00 C ATOM 1452 O THR A 102 -13.906 -7.297 0.841 1.00 0.00 O ATOM 1453 CB THR A 102 -10.740 -6.235 0.938 1.00 0.00 C ATOM 1454 OG1 THR A 102 -9.735 -5.421 1.491 1.00 0.00 O ATOM 1455 CG2 THR A 102 -11.223 -5.551 -0.342 1.00 0.00 C ATOM 1456 H THR A 102 -10.481 -7.229 3.277 1.00 0.00 H ATOM 1457 HA THR A 102 -12.499 -5.564 1.986 1.00 0.00 H ATOM 1458 HB THR A 102 -10.261 -7.182 0.685 1.00 0.00 H ATOM 1459 HG1 THR A 102 -10.067 -4.520 1.534 1.00 0.00 H ATOM 1460 HG21 THR A 102 -10.382 -5.424 -1.017 1.00 0.00 H ATOM 1461 HG22 THR A 102 -11.975 -6.159 -0.843 1.00 0.00 H ATOM 1462 HG23 THR A 102 -11.650 -4.574 -0.106 1.00 0.00 H ATOM 1463 N GLU A 103 -12.217 -8.774 1.149 1.00 0.00 N ATOM 1464 CA GLU A 103 -12.815 -9.943 0.513 1.00 0.00 C ATOM 1465 C GLU A 103 -13.780 -10.685 1.468 1.00 0.00 C ATOM 1466 O GLU A 103 -14.322 -11.728 1.037 1.00 0.00 O ATOM 1467 CB GLU A 103 -11.681 -10.851 -0.024 1.00 0.00 C ATOM 1468 CG GLU A 103 -11.042 -10.357 -1.341 1.00 0.00 C ATOM 1469 CD GLU A 103 -11.035 -11.433 -2.422 1.00 0.00 C ATOM 1470 OE1 GLU A 103 -10.036 -12.191 -2.457 1.00 0.00 O ATOM 1471 OE2 GLU A 103 -12.018 -11.465 -3.194 1.00 0.00 O ATOM 1472 OXT GLU A 103 -13.987 -10.203 2.605 1.00 0.00 O ATOM 1473 H GLU A 103 -11.379 -8.959 1.689 1.00 0.00 H ATOM 1474 HA GLU A 103 -13.421 -9.626 -0.335 1.00 0.00 H ATOM 1475 HB2 GLU A 103 -10.881 -10.953 0.710 1.00 0.00 H ATOM 1476 HB3 GLU A 103 -12.099 -11.845 -0.190 1.00 0.00 H ATOM 1477 HG2 GLU A 103 -11.571 -9.487 -1.727 1.00 0.00 H ATOM 1478 HG3 GLU A 103 -10.004 -10.082 -1.163 1.00 0.00 H TER 1479 GLU A 103 HETATM 1480 FE HEC A 118 2.349 3.485 1.132 1.00 0.00 FE HETATM 1481 CHA HEC A 118 0.194 4.757 -1.292 1.00 0.00 C HETATM 1482 CHB HEC A 118 1.651 0.263 0.098 1.00 0.00 C HETATM 1483 CHC HEC A 118 4.423 2.277 3.610 1.00 0.00 C HETATM 1484 CHD HEC A 118 2.874 6.759 2.325 1.00 0.00 C HETATM 1485 NA HEC A 118 1.216 2.656 -0.396 1.00 0.00 N HETATM 1486 C1A HEC A 118 0.423 3.366 -1.260 1.00 0.00 C HETATM 1487 C2A HEC A 118 -0.242 2.394 -2.101 1.00 0.00 C HETATM 1488 C3A HEC A 118 0.215 1.147 -1.756 1.00 0.00 C HETATM 1489 C4A HEC A 118 1.091 1.314 -0.622 1.00 0.00 C HETATM 1490 CMA HEC A 118 -0.199 -0.141 -2.432 1.00 0.00 C HETATM 1491 CAA HEC A 118 -1.270 2.652 -3.169 1.00 0.00 C HETATM 1492 CBA HEC A 118 -0.622 2.908 -4.530 1.00 0.00 C HETATM 1493 CGA HEC A 118 0.033 4.277 -4.606 1.00 0.00 C HETATM 1494 O1A HEC A 118 -0.674 5.253 -4.283 1.00 0.00 O HETATM 1495 O2A HEC A 118 1.223 4.318 -4.982 1.00 0.00 O HETATM 1496 NB HEC A 118 2.901 1.587 1.780 1.00 0.00 N HETATM 1497 C1B HEC A 118 2.468 0.427 1.220 1.00 0.00 C HETATM 1498 C2B HEC A 118 2.988 -0.665 2.009 1.00 0.00 C HETATM 1499 C3B HEC A 118 3.826 -0.123 2.971 1.00 0.00 C HETATM 1500 C4B HEC A 118 3.741 1.326 2.826 1.00 0.00 C HETATM 1501 CMB HEC A 118 2.609 -2.121 1.818 1.00 0.00 C HETATM 1502 CAB HEC A 118 4.739 -0.882 3.941 1.00 0.00 C HETATM 1503 CBB HEC A 118 4.562 -2.402 4.086 1.00 0.00 C HETATM 1504 NC HEC A 118 3.454 4.369 2.697 1.00 0.00 N HETATM 1505 C1C HEC A 118 4.217 3.656 3.556 1.00 0.00 C HETATM 1506 C2C HEC A 118 4.775 4.580 4.511 1.00 0.00 C HETATM 1507 C3C HEC A 118 4.366 5.848 4.170 1.00 0.00 C HETATM 1508 C4C HEC A 118 3.526 5.711 2.989 1.00 0.00 C HETATM 1509 CMC HEC A 118 5.569 4.193 5.735 1.00 0.00 C HETATM 1510 CAC HEC A 118 4.642 7.075 5.037 1.00 0.00 C HETATM 1511 CBC HEC A 118 5.967 7.766 4.703 1.00 0.00 C HETATM 1512 ND HEC A 118 1.662 5.432 0.600 1.00 0.00 N HETATM 1513 C1D HEC A 118 1.985 6.586 1.257 1.00 0.00 C HETATM 1514 C2D HEC A 118 1.207 7.648 0.658 1.00 0.00 C HETATM 1515 C3D HEC A 118 0.431 7.081 -0.329 1.00 0.00 C HETATM 1516 C4D HEC A 118 0.769 5.677 -0.401 1.00 0.00 C HETATM 1517 CMD HEC A 118 1.208 9.114 1.041 1.00 0.00 C HETATM 1518 CAD HEC A 118 -0.646 7.790 -1.117 1.00 0.00 C HETATM 1519 CBD HEC A 118 -0.200 8.254 -2.506 1.00 0.00 C HETATM 1520 CGD HEC A 118 1.009 9.172 -2.433 1.00 0.00 C HETATM 1521 O1D HEC A 118 0.788 10.355 -2.097 1.00 0.00 O HETATM 1522 O2D HEC A 118 2.123 8.676 -2.703 1.00 0.00 O HETATM 1523 HHA HEC A 118 -0.522 5.142 -1.993 1.00 0.00 H HETATM 1524 HHB HEC A 118 1.433 -0.734 -0.230 1.00 0.00 H HETATM 1525 HHC HEC A 118 5.145 1.961 4.334 1.00 0.00 H HETATM 1526 HHD HEC A 118 3.049 7.762 2.662 1.00 0.00 H HETATM 1527 HMA1 HEC A 118 -1.269 -0.301 -2.299 1.00 0.00 H HETATM 1528 HMA2 HEC A 118 0.011 -0.053 -3.496 1.00 0.00 H HETATM 1529 HMA3 HEC A 118 0.333 -1.010 -2.056 1.00 0.00 H HETATM 1530 HAA1 HEC A 118 -1.910 3.487 -2.882 1.00 0.00 H HETATM 1531 HAA2 HEC A 118 -1.911 1.775 -3.257 1.00 0.00 H HETATM 1532 HBA1 HEC A 118 -1.379 2.851 -5.300 1.00 0.00 H HETATM 1533 HBA2 HEC A 118 0.130 2.147 -4.731 1.00 0.00 H HETATM 1534 HMB1 HEC A 118 3.409 -2.655 1.307 1.00 0.00 H HETATM 1535 HMB2 HEC A 118 2.391 -2.585 2.775 1.00 0.00 H HETATM 1536 HMB3 HEC A 118 1.695 -2.230 1.241 1.00 0.00 H HETATM 1537 HAB HEC A 118 5.759 -0.775 3.549 1.00 0.00 H HETATM 1538 HBB1 HEC A 118 4.690 -2.910 3.132 1.00 0.00 H HETATM 1539 HBB2 HEC A 118 5.341 -2.777 4.752 1.00 0.00 H HETATM 1540 HBB3 HEC A 118 3.602 -2.635 4.543 1.00 0.00 H HETATM 1541 HMC1 HEC A 118 5.889 5.039 6.338 1.00 0.00 H HETATM 1542 HMC2 HEC A 118 4.993 3.512 6.360 1.00 0.00 H HETATM 1543 HMC3 HEC A 118 6.457 3.687 5.399 1.00 0.00 H HETATM 1544 HAC HEC A 118 4.701 6.736 6.067 1.00 0.00 H HETATM 1545 HBC1 HEC A 118 6.784 7.049 4.785 1.00 0.00 H HETATM 1546 HBC2 HEC A 118 5.930 8.159 3.687 1.00 0.00 H HETATM 1547 HBC3 HEC A 118 6.139 8.585 5.403 1.00 0.00 H HETATM 1548 HMD1 HEC A 118 1.669 9.289 2.010 1.00 0.00 H HETATM 1549 HMD2 HEC A 118 1.749 9.679 0.282 1.00 0.00 H HETATM 1550 HMD3 HEC A 118 0.192 9.501 1.096 1.00 0.00 H HETATM 1551 HAD1 HEC A 118 -0.972 8.675 -0.573 1.00 0.00 H HETATM 1552 HAD2 HEC A 118 -1.508 7.133 -1.209 1.00 0.00 H HETATM 1553 HBD1 HEC A 118 -1.006 8.819 -2.969 1.00 0.00 H HETATM 1554 HBD2 HEC A 118 0.043 7.398 -3.134 1.00 0.00 H CONECT 104 1502 CONECT 150 1510 CONECT 164 1480 CONECT 987 1480 CONECT 1480 164 987 1485 1496 CONECT 1480 1504 1512 CONECT 1481 1486 1516 1523 CONECT 1482 1489 1497 1524 CONECT 1483 1500 1505 1525 CONECT 1484 1508 1513 1526 CONECT 1485 1480 1486 1489 CONECT 1486 1481 1485 1487 CONECT 1487 1486 1488 1491 CONECT 1488 1487 1489 1490 CONECT 1489 1482 1485 1488 CONECT 1490 1488 1527 1528 1529 CONECT 1491 1487 1492 1530 1531 CONECT 1492 1491 1493 1532 1533 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 CONECT 1496 1480 1497 1500 CONECT 1497 1482 1496 1498 CONECT 1498 1497 1499 1501 CONECT 1499 1498 1500 1502 CONECT 1500 1483 1496 1499 CONECT 1501 1498 1534 1535 1536 CONECT 1502 104 1499 1503 1537 CONECT 1503 1502 1538 1539 1540 CONECT 1504 1480 1505 1508 CONECT 1505 1483 1504 1506 CONECT 1506 1505 1507 1509 CONECT 1507 1506 1508 1510 CONECT 1508 1484 1504 1507 CONECT 1509 1506 1541 1542 1543 CONECT 1510 150 1507 1511 1544 CONECT 1511 1510 1545 1546 1547 CONECT 1512 1480 1513 1516 CONECT 1513 1484 1512 1514 CONECT 1514 1513 1515 1517 CONECT 1515 1514 1516 1518 CONECT 1516 1481 1512 1515 CONECT 1517 1514 1548 1549 1550 CONECT 1518 1515 1519 1551 1552 CONECT 1519 1518 1520 1553 1554 CONECT 1520 1519 1521 1522 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1481 CONECT 1524 1482 CONECT 1525 1483 CONECT 1526 1484 CONECT 1527 1490 CONECT 1528 1490 CONECT 1529 1490 CONECT 1530 1491 CONECT 1531 1491 CONECT 1532 1492 CONECT 1533 1492 CONECT 1534 1501 CONECT 1535 1501 CONECT 1536 1501 CONECT 1537 1502 CONECT 1538 1503 CONECT 1539 1503 CONECT 1540 1503 CONECT 1541 1509 CONECT 1542 1509 CONECT 1543 1509 CONECT 1544 1510 CONECT 1545 1511 CONECT 1546 1511 CONECT 1547 1511 CONECT 1548 1517 CONECT 1549 1517 CONECT 1550 1517 CONECT 1551 1518 CONECT 1552 1518 CONECT 1553 1519 CONECT 1554 1519 MASTER 197 0 1 4 2 0 3 6 1553 1 80 9 END