HEADER SERINE PROTEASE 14-AUG-96 1HPK TITLE SOLUTION NMR STRUCTURE OF THE HUMAN PLASMINOGEN KRINGLE 1 TITLE 2 DOMAIN COMPLEXED WITH 6-AMINOHEXANOIC ACID AT PH 5.3, 310K, TITLE 3 DERIVED FROM RANDOMLY GENERATED STRUCTURES USING SIMULATED TITLE 4 ANNEALING, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PLASMINOGEN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: KRINGLE 1 DOMAIN; COMPND 5 EC: 3.4.21.7; COMPND 6 OTHER_DETAILS: CONTAINS THE 6-AMINOHEXANOIC ACID LIGAND SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: BLOOD; SOURCE 6 TISSUE: BLOOD PLASMA KEYWDS SERINE PROTEASE, FIBRINOLYTIC ENZYME, LYSINE-BINDING DOMAIN EXPDTA SOLUTION NMR AUTHOR M.REJANTE,M.LLINAS REVDAT 2 24-FEB-09 1HPK 1 VERSN REVDAT 1 12-MAR-97 1HPK 0 JRNL AUTH M.R.REJANTE,M.LLINAS JRNL TITL SOLUTION STRUCTURE OF THE EPSILON-AMINOHEXANOIC JRNL TITL 2 ACID COMPLEX OF HUMAN PLASMINOGEN KRINGLE 1. JRNL REF EUR.J.BIOCHEM. V. 221 939 1994 JRNL REFN ISSN 0014-2956 JRNL PMID 8181476 JRNL DOI 10.1111/J.1432-1033.1994.TB18809.X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.R.REJANTE,M.LLINAS REMARK 1 TITL 1H-NMR ASSIGNMENTS AND SECONDARY STRUCTURE OF REMARK 1 TITL 2 HUMAN PLASMINOGEN KRINGLE 1 REMARK 1 REF EUR.J.BIOCHEM. V. 221 927 1994 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HPK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AM-500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 31 CG HIS A 31 ND1 -0.125 REMARK 500 HIS A 40 CG HIS A 40 ND1 -0.115 REMARK 500 TRP A 61 CG TRP A 61 CD2 -0.108 REMARK 500 REMARK 500 REMARK: NULL 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 TRP A 25 CD1 - NE1 - CE2 ANGL. DEV. = 5.7 DEGREES REMARK 500 TRP A 61 CD1 - CG - CD2 ANGL. DEV. = 5.2 DEGREES REMARK 500 TRP A 61 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TRP A 61 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 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 2 79.69 -102.25 REMARK 500 THR A 3 38.38 -78.66 REMARK 500 LYS A 7 -50.22 -153.80 REMARK 500 ARG A 10 -55.74 -142.87 REMARK 500 MET A 13 -75.27 -44.93 REMARK 500 SER A 14 59.36 178.56 REMARK 500 LYS A 17 -47.08 -20.20 REMARK 500 THR A 21 104.48 -37.67 REMARK 500 CYS A 22 -156.24 -61.24 REMARK 500 GLN A 23 -169.11 -114.42 REMARK 500 SER A 26 -81.88 -79.34 REMARK 500 SER A 27 170.37 172.23 REMARK 500 PRO A 30 -70.49 -67.92 REMARK 500 HIS A 31 116.01 176.96 REMARK 500 ARG A 32 131.85 162.31 REMARK 500 PRO A 33 -162.69 -61.03 REMARK 500 SER A 36 -6.03 156.79 REMARK 500 THR A 39 22.81 -78.70 REMARK 500 SER A 42 -149.35 -141.85 REMARK 500 GLU A 43 49.55 -177.07 REMARK 500 GLU A 47 -75.33 45.94 REMARK 500 ARG A 51 -150.43 -142.58 REMARK 500 ASP A 54 -87.45 -105.46 REMARK 500 ASN A 55 73.40 -177.22 REMARK 500 CYS A 62 135.87 -177.26 REMARK 500 THR A 65 12.38 -52.00 REMARK 500 PRO A 67 -76.88 -57.30 REMARK 500 GLU A 68 -31.02 -33.90 REMARK 500 ASP A 72 -177.55 152.80 REMARK 500 TYR A 73 -160.36 -74.67 REMARK 500 GLU A 78 -168.18 -53.02 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 10 0.28 SIDE_CHAIN REMARK 500 ARG A 32 0.31 SIDE_CHAIN REMARK 500 ARG A 34 0.24 SIDE_CHAIN REMARK 500 ARG A 51 0.32 SIDE_CHAIN REMARK 500 ARG A 70 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AHA REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: THESE RESIDUES COMPRISE THE 6-AMINOHEXANOIC REMARK 800 ACID BINDING SITE AND, QUITE LIKELY, THE PHYSIOLOGICAL LIGAND REMARK 800 (FIBRIN) BINDING SITE AS WELL. REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACA A 80 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HPJ RELATED DB: PDB DBREF 1HPK A 1 79 UNP P00747 PLMN_HUMAN 103 181 SEQRES 1 A 79 CYS LYS THR GLY ASN GLY LYS ASN TYR ARG GLY THR MET SEQRES 2 A 79 SER LYS THR LYS ASN GLY ILE THR CYS GLN LYS TRP SER SEQRES 3 A 79 SER THR SER PRO HIS ARG PRO ARG PHE SER PRO ALA THR SEQRES 4 A 79 HIS PRO SER GLU GLY LEU GLU GLU ASN TYR CYS ARG ASN SEQRES 5 A 79 PRO ASP ASN ASP PRO GLN GLY PRO TRP CYS TYR THR THR SEQRES 6 A 79 ASP PRO GLU LYS ARG TYR ASP TYR CYS ASP ILE LEU GLU SEQRES 7 A 79 CYS HET ACA A 80 22 HETNAM ACA 6-AMINOHEXANOIC ACID HETSYN ACA AMINOCAPROIC ACID FORMUL 2 ACA C6 H13 N O2 HELIX 1 1 GLY A 11 MET A 13 5 3 SHEET 1 N1 2 SER A 14 THR A 16 0 SHEET 2 N1 2 ILE A 20 CYS A 22 -1 O ILE A 20 N THR A 16 SHEET 1 N2 2 PRO A 60 TYR A 63 0 SHEET 2 N2 2 TYR A 71 CYS A 74 -1 O ASP A 72 N CYS A 62 SSBOND 1 CYS A 1 CYS A 79 1555 1555 2.02 SSBOND 2 CYS A 22 CYS A 62 1555 1555 2.02 SSBOND 3 CYS A 50 CYS A 74 1555 1555 2.01 SITE 1 AHA 10 PRO A 33 ARG A 34 PHE A 35 ASP A 54 SITE 2 AHA 10 ASP A 56 TRP A 61 TYR A 63 ARG A 70 SITE 3 AHA 10 TYR A 71 TYR A 73 SITE 1 AC1 5 PRO A 33 ASP A 54 ASP A 56 TRP A 61 SITE 2 AC1 5 TYR A 63 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 CYS A 1 -9.204 2.093 2.649 1.00 0.00 N ATOM 2 CA CYS A 1 -9.906 0.975 3.322 1.00 0.00 C ATOM 3 C CYS A 1 -9.901 -0.265 2.432 1.00 0.00 C ATOM 4 O CYS A 1 -9.406 -0.238 1.334 1.00 0.00 O ATOM 5 CB CYS A 1 -11.361 1.367 3.604 1.00 0.00 C ATOM 6 SG CYS A 1 -12.462 0.077 4.222 1.00 0.00 S ATOM 7 H1 CYS A 1 -8.326 1.740 2.217 1.00 0.00 H ATOM 8 H2 CYS A 1 -9.817 2.492 1.910 1.00 0.00 H ATOM 9 H3 CYS A 1 -8.977 2.829 3.347 1.00 0.00 H ATOM 10 HA CYS A 1 -9.383 0.741 4.249 1.00 0.00 H ATOM 11 HB2 CYS A 1 -11.360 2.170 4.326 1.00 0.00 H ATOM 12 HB3 CYS A 1 -11.788 1.748 2.693 1.00 0.00 H ATOM 13 N LYS A 2 -10.463 -1.323 2.934 1.00 0.00 N ATOM 14 CA LYS A 2 -10.514 -2.591 2.151 1.00 0.00 C ATOM 15 C LYS A 2 -11.881 -2.814 1.543 1.00 0.00 C ATOM 16 O LYS A 2 -12.675 -3.565 2.077 1.00 0.00 O ATOM 17 CB LYS A 2 -10.257 -3.741 3.120 1.00 0.00 C ATOM 18 CG LYS A 2 -11.032 -3.464 4.414 1.00 0.00 C ATOM 19 CD LYS A 2 -11.544 -4.789 4.987 1.00 0.00 C ATOM 20 CE LYS A 2 -12.301 -4.516 6.289 1.00 0.00 C ATOM 21 NZ LYS A 2 -13.705 -4.109 6.000 1.00 0.00 N ATOM 22 H LYS A 2 -10.853 -1.288 3.828 1.00 0.00 H ATOM 23 HA LYS A 2 -9.762 -2.585 1.349 1.00 0.00 H ATOM 24 HB2 LYS A 2 -10.596 -4.672 2.678 1.00 0.00 H ATOM 25 HB3 LYS A 2 -9.200 -3.814 3.333 1.00 0.00 H ATOM 26 HG2 LYS A 2 -10.382 -2.985 5.130 1.00 0.00 H ATOM 27 HG3 LYS A 2 -11.868 -2.813 4.203 1.00 0.00 H ATOM 28 HD2 LYS A 2 -12.206 -5.260 4.275 1.00 0.00 H ATOM 29 HD3 LYS A 2 -10.710 -5.445 5.183 1.00 0.00 H ATOM 30 HE2 LYS A 2 -12.311 -5.409 6.895 1.00 0.00 H ATOM 31 HE3 LYS A 2 -11.810 -3.724 6.835 1.00 0.00 H ATOM 32 HZ1 LYS A 2 -13.848 -4.063 4.971 1.00 0.00 H ATOM 33 HZ2 LYS A 2 -14.359 -4.806 6.410 1.00 0.00 H ATOM 34 HZ3 LYS A 2 -13.888 -3.174 6.417 1.00 0.00 H ATOM 35 N THR A 3 -12.159 -2.156 0.449 1.00 0.00 N ATOM 36 CA THR A 3 -13.489 -2.352 -0.180 1.00 0.00 C ATOM 37 C THR A 3 -13.418 -3.659 -0.930 1.00 0.00 C ATOM 38 O THR A 3 -13.948 -3.820 -2.009 1.00 0.00 O ATOM 39 CB THR A 3 -13.753 -1.209 -1.167 1.00 0.00 C ATOM 40 OG1 THR A 3 -13.092 -0.084 -0.622 1.00 0.00 O ATOM 41 CG2 THR A 3 -15.239 -0.822 -1.168 1.00 0.00 C ATOM 42 H THR A 3 -11.503 -1.545 0.052 1.00 0.00 H ATOM 43 HA THR A 3 -14.255 -2.413 0.590 1.00 0.00 H ATOM 44 HB THR A 3 -13.376 -1.437 -2.159 1.00 0.00 H ATOM 45 HG1 THR A 3 -13.716 0.386 -0.064 1.00 0.00 H ATOM 46 HG21 THR A 3 -15.543 -0.542 -0.170 1.00 0.00 H ATOM 47 HG22 THR A 3 -15.397 0.013 -1.835 1.00 0.00 H ATOM 48 HG23 THR A 3 -15.834 -1.660 -1.500 1.00 0.00 H ATOM 49 N GLY A 4 -12.740 -4.566 -0.300 1.00 0.00 N ATOM 50 CA GLY A 4 -12.537 -5.892 -0.835 1.00 0.00 C ATOM 51 C GLY A 4 -11.054 -6.183 -0.667 1.00 0.00 C ATOM 52 O GLY A 4 -10.234 -5.546 -1.292 1.00 0.00 O ATOM 53 H GLY A 4 -12.361 -4.361 0.544 1.00 0.00 H ATOM 54 HA2 GLY A 4 -13.125 -6.612 -0.284 1.00 0.00 H ATOM 55 HA3 GLY A 4 -12.800 -5.908 -1.865 1.00 0.00 H ATOM 56 N ASN A 5 -10.731 -7.107 0.188 1.00 0.00 N ATOM 57 CA ASN A 5 -9.302 -7.427 0.390 1.00 0.00 C ATOM 58 C ASN A 5 -8.850 -8.278 -0.763 1.00 0.00 C ATOM 59 O ASN A 5 -8.452 -9.418 -0.621 1.00 0.00 O ATOM 60 CB ASN A 5 -9.136 -8.178 1.732 1.00 0.00 C ATOM 61 CG ASN A 5 -8.626 -7.198 2.803 1.00 0.00 C ATOM 62 OD1 ASN A 5 -8.667 -5.997 2.637 1.00 0.00 O ATOM 63 ND2 ASN A 5 -8.140 -7.672 3.915 1.00 0.00 N ATOM 64 H ASN A 5 -11.416 -7.586 0.672 1.00 0.00 H ATOM 65 HA ASN A 5 -8.731 -6.500 0.381 1.00 0.00 H ATOM 66 HB2 ASN A 5 -10.086 -8.584 2.044 1.00 0.00 H ATOM 67 HB3 ASN A 5 -8.424 -8.981 1.625 1.00 0.00 H ATOM 68 HD21 ASN A 5 -8.104 -8.641 4.059 1.00 0.00 H ATOM 69 HD22 ASN A 5 -7.803 -7.061 4.606 1.00 0.00 H ATOM 70 N GLY A 6 -8.939 -7.673 -1.900 1.00 0.00 N ATOM 71 CA GLY A 6 -8.539 -8.359 -3.155 1.00 0.00 C ATOM 72 C GLY A 6 -9.775 -8.576 -4.030 1.00 0.00 C ATOM 73 O GLY A 6 -9.987 -9.652 -4.553 1.00 0.00 O ATOM 74 H GLY A 6 -9.275 -6.744 -1.922 1.00 0.00 H ATOM 75 HA2 GLY A 6 -7.827 -7.751 -3.685 1.00 0.00 H ATOM 76 HA3 GLY A 6 -8.092 -9.313 -2.922 1.00 0.00 H ATOM 77 N LYS A 7 -10.570 -7.543 -4.171 1.00 0.00 N ATOM 78 CA LYS A 7 -11.781 -7.673 -4.997 1.00 0.00 C ATOM 79 C LYS A 7 -12.224 -6.329 -5.578 1.00 0.00 C ATOM 80 O LYS A 7 -12.461 -6.222 -6.765 1.00 0.00 O ATOM 81 CB LYS A 7 -12.911 -8.228 -4.118 1.00 0.00 C ATOM 82 CG LYS A 7 -13.862 -9.055 -4.986 1.00 0.00 C ATOM 83 CD LYS A 7 -15.255 -9.048 -4.353 1.00 0.00 C ATOM 84 CE LYS A 7 -15.979 -10.345 -4.721 1.00 0.00 C ATOM 85 NZ LYS A 7 -15.605 -11.436 -3.777 1.00 0.00 N ATOM 86 H LYS A 7 -10.362 -6.702 -3.746 1.00 0.00 H ATOM 87 HA LYS A 7 -11.564 -8.345 -5.807 1.00 0.00 H ATOM 88 HB2 LYS A 7 -12.494 -8.851 -3.341 1.00 0.00 H ATOM 89 HB3 LYS A 7 -13.452 -7.411 -3.664 1.00 0.00 H ATOM 90 HG2 LYS A 7 -13.912 -8.628 -5.977 1.00 0.00 H ATOM 91 HG3 LYS A 7 -13.500 -10.070 -5.056 1.00 0.00 H ATOM 92 HD2 LYS A 7 -15.166 -8.974 -3.280 1.00 0.00 H ATOM 93 HD3 LYS A 7 -15.817 -8.202 -4.721 1.00 0.00 H ATOM 94 HE2 LYS A 7 -17.047 -10.189 -4.675 1.00 0.00 H ATOM 95 HE3 LYS A 7 -15.709 -10.639 -5.724 1.00 0.00 H ATOM 96 HZ1 LYS A 7 -14.591 -11.369 -3.554 1.00 0.00 H ATOM 97 HZ2 LYS A 7 -16.160 -11.343 -2.902 1.00 0.00 H ATOM 98 HZ3 LYS A 7 -15.803 -12.358 -4.217 1.00 0.00 H ATOM 99 N ASN A 8 -12.331 -5.322 -4.741 1.00 0.00 N ATOM 100 CA ASN A 8 -12.762 -3.994 -5.270 1.00 0.00 C ATOM 101 C ASN A 8 -12.135 -2.844 -4.488 1.00 0.00 C ATOM 102 O ASN A 8 -11.935 -2.937 -3.293 1.00 0.00 O ATOM 103 CB ASN A 8 -14.290 -3.899 -5.147 1.00 0.00 C ATOM 104 CG ASN A 8 -14.940 -4.677 -6.294 1.00 0.00 C ATOM 105 OD1 ASN A 8 -15.497 -5.739 -6.101 1.00 0.00 O ATOM 106 ND2 ASN A 8 -14.891 -4.184 -7.501 1.00 0.00 N ATOM 107 H ASN A 8 -12.129 -5.439 -3.780 1.00 0.00 H ATOM 108 HA ASN A 8 -12.457 -3.915 -6.312 1.00 0.00 H ATOM 109 HB2 ASN A 8 -14.609 -4.322 -4.207 1.00 0.00 H ATOM 110 HB3 ASN A 8 -14.599 -2.865 -5.197 1.00 0.00 H ATOM 111 HD21 ASN A 8 -14.443 -3.328 -7.663 1.00 0.00 H ATOM 112 HD22 ASN A 8 -15.302 -4.670 -8.246 1.00 0.00 H ATOM 113 N TYR A 9 -11.833 -1.774 -5.186 1.00 0.00 N ATOM 114 CA TYR A 9 -11.216 -0.601 -4.507 1.00 0.00 C ATOM 115 C TYR A 9 -11.012 0.556 -5.485 1.00 0.00 C ATOM 116 O TYR A 9 -11.316 0.441 -6.656 1.00 0.00 O ATOM 117 CB TYR A 9 -9.848 -1.027 -3.967 1.00 0.00 C ATOM 118 CG TYR A 9 -9.357 -2.247 -4.747 1.00 0.00 C ATOM 119 CD1 TYR A 9 -9.122 -2.162 -6.104 1.00 0.00 C ATOM 120 CD2 TYR A 9 -9.152 -3.452 -4.107 1.00 0.00 C ATOM 121 CE1 TYR A 9 -8.690 -3.264 -6.810 1.00 0.00 C ATOM 122 CE2 TYR A 9 -8.720 -4.554 -4.813 1.00 0.00 C ATOM 123 CZ TYR A 9 -8.486 -4.469 -6.170 1.00 0.00 C ATOM 124 OH TYR A 9 -8.054 -5.572 -6.877 1.00 0.00 O ATOM 125 H TYR A 9 -12.013 -1.747 -6.149 1.00 0.00 H ATOM 126 HA TYR A 9 -11.867 -0.274 -3.700 1.00 0.00 H ATOM 127 HB2 TYR A 9 -9.142 -0.221 -4.087 1.00 0.00 H ATOM 128 HB3 TYR A 9 -9.933 -1.280 -2.922 1.00 0.00 H ATOM 129 HD1 TYR A 9 -9.282 -1.225 -6.617 1.00 0.00 H ATOM 130 HD2 TYR A 9 -9.331 -3.534 -3.045 1.00 0.00 H ATOM 131 HE1 TYR A 9 -8.510 -3.184 -7.872 1.00 0.00 H ATOM 132 HE2 TYR A 9 -8.569 -5.491 -4.300 1.00 0.00 H ATOM 133 HH TYR A 9 -8.669 -6.290 -6.711 1.00 0.00 H ATOM 134 N ARG A 10 -10.494 1.654 -4.983 1.00 0.00 N ATOM 135 CA ARG A 10 -10.262 2.831 -5.869 1.00 0.00 C ATOM 136 C ARG A 10 -8.969 3.562 -5.494 1.00 0.00 C ATOM 137 O ARG A 10 -8.100 3.747 -6.322 1.00 0.00 O ATOM 138 CB ARG A 10 -11.442 3.810 -5.704 1.00 0.00 C ATOM 139 CG ARG A 10 -12.726 3.192 -6.284 1.00 0.00 C ATOM 140 CD ARG A 10 -13.531 2.543 -5.155 1.00 0.00 C ATOM 141 NE ARG A 10 -14.429 1.506 -5.735 1.00 0.00 N ATOM 142 CZ ARG A 10 -15.503 1.876 -6.376 1.00 0.00 C ATOM 143 NH1 ARG A 10 -15.375 2.561 -7.479 1.00 0.00 N ATOM 144 NH2 ARG A 10 -16.671 1.549 -5.892 1.00 0.00 N ATOM 145 H ARG A 10 -10.262 1.699 -4.032 1.00 0.00 H ATOM 146 HA ARG A 10 -10.182 2.489 -6.899 1.00 0.00 H ATOM 147 HB2 ARG A 10 -11.587 4.027 -4.656 1.00 0.00 H ATOM 148 HB3 ARG A 10 -11.221 4.731 -6.224 1.00 0.00 H ATOM 149 HG2 ARG A 10 -13.319 3.965 -6.750 1.00 0.00 H ATOM 150 HG3 ARG A 10 -12.477 2.448 -7.023 1.00 0.00 H ATOM 151 HD2 ARG A 10 -12.863 2.080 -4.444 1.00 0.00 H ATOM 152 HD3 ARG A 10 -14.126 3.291 -4.655 1.00 0.00 H ATOM 153 HE ARG A 10 -14.215 0.555 -5.636 1.00 0.00 H ATOM 154 HH11 ARG A 10 -14.464 2.793 -7.820 1.00 0.00 H ATOM 155 HH12 ARG A 10 -16.187 2.853 -7.983 1.00 0.00 H ATOM 156 HH21 ARG A 10 -16.731 1.024 -5.043 1.00 0.00 H ATOM 157 HH22 ARG A 10 -17.505 1.825 -6.369 1.00 0.00 H ATOM 158 N GLY A 11 -8.865 3.965 -4.253 1.00 0.00 N ATOM 159 CA GLY A 11 -7.626 4.689 -3.815 1.00 0.00 C ATOM 160 C GLY A 11 -6.404 3.765 -3.880 1.00 0.00 C ATOM 161 O GLY A 11 -5.347 4.119 -3.417 1.00 0.00 O ATOM 162 H GLY A 11 -9.590 3.797 -3.618 1.00 0.00 H ATOM 163 HA2 GLY A 11 -7.463 5.534 -4.468 1.00 0.00 H ATOM 164 HA3 GLY A 11 -7.747 5.042 -2.812 1.00 0.00 H ATOM 165 N THR A 12 -6.569 2.608 -4.475 1.00 0.00 N ATOM 166 CA THR A 12 -5.418 1.666 -4.570 1.00 0.00 C ATOM 167 C THR A 12 -4.464 2.117 -5.639 1.00 0.00 C ATOM 168 O THR A 12 -3.414 1.530 -5.814 1.00 0.00 O ATOM 169 CB THR A 12 -5.938 0.291 -4.957 1.00 0.00 C ATOM 170 OG1 THR A 12 -4.798 -0.529 -4.977 1.00 0.00 O ATOM 171 CG2 THR A 12 -6.459 0.279 -6.404 1.00 0.00 C ATOM 172 H THR A 12 -7.438 2.364 -4.851 1.00 0.00 H ATOM 173 HA THR A 12 -4.884 1.623 -3.613 1.00 0.00 H ATOM 174 HB THR A 12 -6.654 -0.078 -4.252 1.00 0.00 H ATOM 175 HG1 THR A 12 -4.250 -0.258 -5.717 1.00 0.00 H ATOM 176 HG21 THR A 12 -7.102 1.132 -6.566 1.00 0.00 H ATOM 177 HG22 THR A 12 -5.632 0.321 -7.094 1.00 0.00 H ATOM 178 HG23 THR A 12 -7.020 -0.626 -6.580 1.00 0.00 H ATOM 179 N MET A 13 -4.846 3.146 -6.354 1.00 0.00 N ATOM 180 CA MET A 13 -3.956 3.639 -7.415 1.00 0.00 C ATOM 181 C MET A 13 -2.569 3.697 -6.865 1.00 0.00 C ATOM 182 O MET A 13 -1.741 2.860 -7.152 1.00 0.00 O ATOM 183 CB MET A 13 -4.398 5.055 -7.814 1.00 0.00 C ATOM 184 CG MET A 13 -5.593 4.958 -8.764 1.00 0.00 C ATOM 185 SD MET A 13 -6.858 6.247 -8.643 1.00 0.00 S ATOM 186 CE MET A 13 -8.196 5.326 -9.440 1.00 0.00 C ATOM 187 H MET A 13 -5.710 3.578 -6.185 1.00 0.00 H ATOM 188 HA MET A 13 -3.977 2.974 -8.243 1.00 0.00 H ATOM 189 HB2 MET A 13 -4.680 5.609 -6.931 1.00 0.00 H ATOM 190 HB3 MET A 13 -3.583 5.565 -8.306 1.00 0.00 H ATOM 191 HG2 MET A 13 -5.218 4.961 -9.777 1.00 0.00 H ATOM 192 HG3 MET A 13 -6.078 4.007 -8.598 1.00 0.00 H ATOM 193 HE1 MET A 13 -8.377 4.411 -8.896 1.00 0.00 H ATOM 194 HE2 MET A 13 -9.094 5.926 -9.444 1.00 0.00 H ATOM 195 HE3 MET A 13 -7.915 5.091 -10.456 1.00 0.00 H ATOM 196 N SER A 14 -2.361 4.676 -6.070 1.00 0.00 N ATOM 197 CA SER A 14 -1.036 4.856 -5.449 1.00 0.00 C ATOM 198 C SER A 14 -1.009 6.098 -4.574 1.00 0.00 C ATOM 199 O SER A 14 -0.231 7.006 -4.788 1.00 0.00 O ATOM 200 CB SER A 14 0.003 4.968 -6.545 1.00 0.00 C ATOM 201 OG SER A 14 -0.618 5.768 -7.541 1.00 0.00 O ATOM 202 H SER A 14 -3.083 5.298 -5.888 1.00 0.00 H ATOM 203 HA SER A 14 -0.833 3.989 -4.821 1.00 0.00 H ATOM 204 HB2 SER A 14 0.898 5.446 -6.180 1.00 0.00 H ATOM 205 HB3 SER A 14 0.226 3.992 -6.931 1.00 0.00 H ATOM 206 HG SER A 14 -0.927 5.185 -8.239 1.00 0.00 H ATOM 207 N LYS A 15 -1.870 6.102 -3.602 1.00 0.00 N ATOM 208 CA LYS A 15 -1.950 7.250 -2.673 1.00 0.00 C ATOM 209 C LYS A 15 -2.150 6.716 -1.257 1.00 0.00 C ATOM 210 O LYS A 15 -2.864 5.762 -1.067 1.00 0.00 O ATOM 211 CB LYS A 15 -3.157 8.117 -3.069 1.00 0.00 C ATOM 212 CG LYS A 15 -3.534 7.851 -4.532 1.00 0.00 C ATOM 213 CD LYS A 15 -4.645 8.819 -4.944 1.00 0.00 C ATOM 214 CE LYS A 15 -4.017 10.095 -5.509 1.00 0.00 C ATOM 215 NZ LYS A 15 -4.945 11.249 -5.345 1.00 0.00 N ATOM 216 H LYS A 15 -2.473 5.338 -3.483 1.00 0.00 H ATOM 217 HA LYS A 15 -1.020 7.817 -2.718 1.00 0.00 H ATOM 218 HB2 LYS A 15 -3.995 7.879 -2.433 1.00 0.00 H ATOM 219 HB3 LYS A 15 -2.903 9.158 -2.951 1.00 0.00 H ATOM 220 HG2 LYS A 15 -2.673 8.000 -5.164 1.00 0.00 H ATOM 221 HG3 LYS A 15 -3.885 6.835 -4.640 1.00 0.00 H ATOM 222 HD2 LYS A 15 -5.267 8.358 -5.697 1.00 0.00 H ATOM 223 HD3 LYS A 15 -5.252 9.063 -4.085 1.00 0.00 H ATOM 224 HE2 LYS A 15 -3.095 10.306 -4.987 1.00 0.00 H ATOM 225 HE3 LYS A 15 -3.804 9.960 -6.559 1.00 0.00 H ATOM 226 HZ1 LYS A 15 -5.754 10.963 -4.757 1.00 0.00 H ATOM 227 HZ2 LYS A 15 -4.443 12.035 -4.885 1.00 0.00 H ATOM 228 HZ3 LYS A 15 -5.286 11.555 -6.279 1.00 0.00 H ATOM 229 N THR A 16 -1.537 7.327 -0.281 1.00 0.00 N ATOM 230 CA THR A 16 -1.729 6.802 1.092 1.00 0.00 C ATOM 231 C THR A 16 -3.115 7.206 1.677 1.00 0.00 C ATOM 232 O THR A 16 -3.763 8.097 1.140 1.00 0.00 O ATOM 233 CB THR A 16 -0.574 7.283 1.961 1.00 0.00 C ATOM 234 OG1 THR A 16 0.362 7.777 1.043 1.00 0.00 O ATOM 235 CG2 THR A 16 0.174 6.107 2.594 1.00 0.00 C ATOM 236 H THR A 16 -0.976 8.108 -0.448 1.00 0.00 H ATOM 237 HA THR A 16 -1.700 5.728 1.008 1.00 0.00 H ATOM 238 HB THR A 16 -0.879 8.034 2.681 1.00 0.00 H ATOM 239 HG1 THR A 16 0.297 7.253 0.241 1.00 0.00 H ATOM 240 HG21 THR A 16 0.449 5.394 1.830 1.00 0.00 H ATOM 241 HG22 THR A 16 1.069 6.466 3.079 1.00 0.00 H ATOM 242 HG23 THR A 16 -0.445 5.630 3.310 1.00 0.00 H ATOM 243 N LYS A 17 -3.465 6.596 2.840 1.00 0.00 N ATOM 244 CA LYS A 17 -4.795 6.861 3.551 1.00 0.00 C ATOM 245 C LYS A 17 -5.450 8.161 3.146 1.00 0.00 C ATOM 246 O LYS A 17 -6.633 8.181 2.872 1.00 0.00 O ATOM 247 CB LYS A 17 -4.584 6.876 5.098 1.00 0.00 C ATOM 248 CG LYS A 17 -5.893 7.305 5.763 1.00 0.00 C ATOM 249 CD LYS A 17 -5.901 6.824 7.215 1.00 0.00 C ATOM 250 CE LYS A 17 -6.667 7.833 8.072 1.00 0.00 C ATOM 251 NZ LYS A 17 -7.050 7.225 9.377 1.00 0.00 N ATOM 252 H LYS A 17 -2.849 5.969 3.234 1.00 0.00 H ATOM 253 HA LYS A 17 -5.474 6.061 3.294 1.00 0.00 H ATOM 254 HB2 LYS A 17 -4.304 5.869 5.464 1.00 0.00 H ATOM 255 HB3 LYS A 17 -3.812 7.578 5.356 1.00 0.00 H ATOM 256 HG2 LYS A 17 -5.978 8.381 5.737 1.00 0.00 H ATOM 257 HG3 LYS A 17 -6.729 6.871 5.233 1.00 0.00 H ATOM 258 HD2 LYS A 17 -6.381 5.858 7.275 1.00 0.00 H ATOM 259 HD3 LYS A 17 -4.887 6.738 7.574 1.00 0.00 H ATOM 260 HE2 LYS A 17 -6.047 8.698 8.254 1.00 0.00 H ATOM 261 HE3 LYS A 17 -7.562 8.144 7.552 1.00 0.00 H ATOM 262 HZ1 LYS A 17 -6.384 6.462 9.612 1.00 0.00 H ATOM 263 HZ2 LYS A 17 -7.021 7.952 10.120 1.00 0.00 H ATOM 264 HZ3 LYS A 17 -8.012 6.837 9.310 1.00 0.00 H ATOM 265 N ASN A 18 -4.727 9.211 3.112 1.00 0.00 N ATOM 266 CA ASN A 18 -5.369 10.479 2.714 1.00 0.00 C ATOM 267 C ASN A 18 -5.302 10.650 1.227 1.00 0.00 C ATOM 268 O ASN A 18 -6.293 10.872 0.560 1.00 0.00 O ATOM 269 CB ASN A 18 -4.589 11.610 3.255 1.00 0.00 C ATOM 270 CG ASN A 18 -5.468 12.467 4.169 1.00 0.00 C ATOM 271 OD1 ASN A 18 -5.458 13.680 4.098 1.00 0.00 O ATOM 272 ND2 ASN A 18 -6.241 11.878 5.040 1.00 0.00 N ATOM 273 H ASN A 18 -3.775 9.178 3.344 1.00 0.00 H ATOM 274 HA ASN A 18 -6.402 10.506 3.049 1.00 0.00 H ATOM 275 HB2 ASN A 18 -3.731 11.247 3.802 1.00 0.00 H ATOM 276 HB3 ASN A 18 -4.266 12.181 2.409 1.00 0.00 H ATOM 277 HD21 ASN A 18 -6.253 10.900 5.102 1.00 0.00 H ATOM 278 HD22 ASN A 18 -6.809 12.414 5.632 1.00 0.00 H ATOM 279 N GLY A 19 -4.111 10.547 0.741 1.00 0.00 N ATOM 280 CA GLY A 19 -3.885 10.689 -0.676 1.00 0.00 C ATOM 281 C GLY A 19 -2.398 10.956 -0.943 1.00 0.00 C ATOM 282 O GLY A 19 -2.051 11.614 -1.903 1.00 0.00 O ATOM 283 H GLY A 19 -3.373 10.380 1.321 1.00 0.00 H ATOM 284 HA2 GLY A 19 -4.191 9.794 -1.168 1.00 0.00 H ATOM 285 HA3 GLY A 19 -4.462 11.509 -1.034 1.00 0.00 H ATOM 286 N ILE A 20 -1.544 10.439 -0.084 1.00 0.00 N ATOM 287 CA ILE A 20 -0.076 10.670 -0.294 1.00 0.00 C ATOM 288 C ILE A 20 0.521 9.716 -1.342 1.00 0.00 C ATOM 289 O ILE A 20 0.598 8.524 -1.142 1.00 0.00 O ATOM 290 CB ILE A 20 0.617 10.503 1.066 1.00 0.00 C ATOM 291 CG1 ILE A 20 0.524 11.813 1.806 1.00 0.00 C ATOM 292 CG2 ILE A 20 2.117 10.105 0.876 1.00 0.00 C ATOM 293 CD1 ILE A 20 1.143 11.671 3.206 1.00 0.00 C ATOM 294 H ILE A 20 -1.864 9.914 0.694 1.00 0.00 H ATOM 295 HA ILE A 20 0.051 11.681 -0.649 1.00 0.00 H ATOM 296 HB ILE A 20 0.087 9.784 1.627 1.00 0.00 H ATOM 297 HG12 ILE A 20 1.039 12.584 1.255 1.00 0.00 H ATOM 298 HG13 ILE A 20 -0.526 12.075 1.894 1.00 0.00 H ATOM 299 HG21 ILE A 20 2.581 10.779 0.177 1.00 0.00 H ATOM 300 HG22 ILE A 20 2.647 10.152 1.825 1.00 0.00 H ATOM 301 HG23 ILE A 20 2.192 9.096 0.498 1.00 0.00 H ATOM 302 HD11 ILE A 20 1.106 10.640 3.524 1.00 0.00 H ATOM 303 HD12 ILE A 20 2.171 11.999 3.184 1.00 0.00 H ATOM 304 HD13 ILE A 20 0.592 12.278 3.909 1.00 0.00 H ATOM 305 N THR A 21 0.932 10.285 -2.451 1.00 0.00 N ATOM 306 CA THR A 21 1.526 9.475 -3.542 1.00 0.00 C ATOM 307 C THR A 21 2.403 8.337 -3.013 1.00 0.00 C ATOM 308 O THR A 21 3.512 8.557 -2.575 1.00 0.00 O ATOM 309 CB THR A 21 2.395 10.400 -4.399 1.00 0.00 C ATOM 310 OG1 THR A 21 1.794 11.676 -4.300 1.00 0.00 O ATOM 311 CG2 THR A 21 2.280 10.033 -5.886 1.00 0.00 C ATOM 312 H THR A 21 0.835 11.242 -2.568 1.00 0.00 H ATOM 313 HA THR A 21 0.723 9.061 -4.128 1.00 0.00 H ATOM 314 HB THR A 21 3.423 10.427 -4.050 1.00 0.00 H ATOM 315 HG1 THR A 21 2.322 12.293 -4.811 1.00 0.00 H ATOM 316 HG21 THR A 21 1.246 10.087 -6.195 1.00 0.00 H ATOM 317 HG22 THR A 21 2.865 10.722 -6.477 1.00 0.00 H ATOM 318 HG23 THR A 21 2.645 9.029 -6.043 1.00 0.00 H ATOM 319 N CYS A 22 1.880 7.140 -3.074 1.00 0.00 N ATOM 320 CA CYS A 22 2.652 5.961 -2.586 1.00 0.00 C ATOM 321 C CYS A 22 3.975 5.769 -3.389 1.00 0.00 C ATOM 322 O CYS A 22 4.488 6.708 -3.964 1.00 0.00 O ATOM 323 CB CYS A 22 1.733 4.715 -2.712 1.00 0.00 C ATOM 324 SG CYS A 22 0.831 4.200 -1.221 1.00 0.00 S ATOM 325 H CYS A 22 0.976 7.022 -3.425 1.00 0.00 H ATOM 326 HA CYS A 22 2.911 6.134 -1.541 1.00 0.00 H ATOM 327 HB2 CYS A 22 1.004 4.917 -3.476 1.00 0.00 H ATOM 328 HB3 CYS A 22 2.313 3.877 -3.041 1.00 0.00 H ATOM 329 N GLN A 23 4.489 4.551 -3.405 1.00 0.00 N ATOM 330 CA GLN A 23 5.769 4.262 -4.149 1.00 0.00 C ATOM 331 C GLN A 23 5.578 3.329 -5.325 1.00 0.00 C ATOM 332 O GLN A 23 4.494 3.054 -5.694 1.00 0.00 O ATOM 333 CB GLN A 23 6.733 3.564 -3.193 1.00 0.00 C ATOM 334 CG GLN A 23 6.005 2.516 -2.343 1.00 0.00 C ATOM 335 CD GLN A 23 6.883 2.230 -1.121 1.00 0.00 C ATOM 336 OE1 GLN A 23 7.097 1.095 -0.765 1.00 0.00 O ATOM 337 NE2 GLN A 23 7.432 3.248 -0.464 1.00 0.00 N ATOM 338 H GLN A 23 4.032 3.832 -2.935 1.00 0.00 H ATOM 339 HA GLN A 23 6.189 5.186 -4.498 1.00 0.00 H ATOM 340 HB2 GLN A 23 7.489 3.070 -3.750 1.00 0.00 H ATOM 341 HB3 GLN A 23 7.194 4.288 -2.566 1.00 0.00 H ATOM 342 HG2 GLN A 23 5.064 2.872 -2.016 1.00 0.00 H ATOM 343 HG3 GLN A 23 5.871 1.610 -2.912 1.00 0.00 H ATOM 344 HE21 GLN A 23 7.272 4.149 -0.761 1.00 0.00 H ATOM 345 HE22 GLN A 23 7.997 3.081 0.320 1.00 0.00 H ATOM 346 N LYS A 24 6.692 2.858 -5.882 1.00 0.00 N ATOM 347 CA LYS A 24 6.632 1.931 -7.043 1.00 0.00 C ATOM 348 C LYS A 24 7.243 0.587 -6.668 1.00 0.00 C ATOM 349 O LYS A 24 7.484 -0.259 -7.505 1.00 0.00 O ATOM 350 CB LYS A 24 7.480 2.521 -8.154 1.00 0.00 C ATOM 351 CG LYS A 24 8.494 3.493 -7.549 1.00 0.00 C ATOM 352 CD LYS A 24 9.587 3.788 -8.582 1.00 0.00 C ATOM 353 CE LYS A 24 8.937 4.198 -9.906 1.00 0.00 C ATOM 354 NZ LYS A 24 8.484 2.995 -10.660 1.00 0.00 N ATOM 355 H LYS A 24 7.574 3.121 -5.521 1.00 0.00 H ATOM 356 HA LYS A 24 5.612 1.801 -7.353 1.00 0.00 H ATOM 357 HB2 LYS A 24 8.000 1.727 -8.654 1.00 0.00 H ATOM 358 HB3 LYS A 24 6.849 3.036 -8.855 1.00 0.00 H ATOM 359 HG2 LYS A 24 7.998 4.411 -7.272 1.00 0.00 H ATOM 360 HG3 LYS A 24 8.941 3.053 -6.672 1.00 0.00 H ATOM 361 HD2 LYS A 24 10.216 4.589 -8.224 1.00 0.00 H ATOM 362 HD3 LYS A 24 10.190 2.905 -8.733 1.00 0.00 H ATOM 363 HE2 LYS A 24 8.085 4.833 -9.710 1.00 0.00 H ATOM 364 HE3 LYS A 24 9.651 4.742 -10.506 1.00 0.00 H ATOM 365 HZ1 LYS A 24 8.847 2.138 -10.196 1.00 0.00 H ATOM 366 HZ2 LYS A 24 7.445 2.966 -10.677 1.00 0.00 H ATOM 367 HZ3 LYS A 24 8.846 3.040 -11.634 1.00 0.00 H ATOM 368 N TRP A 25 7.474 0.443 -5.412 1.00 0.00 N ATOM 369 CA TRP A 25 8.074 -0.815 -4.869 1.00 0.00 C ATOM 370 C TRP A 25 9.501 -0.950 -5.377 1.00 0.00 C ATOM 371 O TRP A 25 9.942 -2.021 -5.744 1.00 0.00 O ATOM 372 CB TRP A 25 7.283 -2.100 -5.288 1.00 0.00 C ATOM 373 CG TRP A 25 5.734 -2.048 -5.024 1.00 0.00 C ATOM 374 CD1 TRP A 25 4.852 -2.577 -5.887 1.00 0.00 C ATOM 375 CD2 TRP A 25 5.085 -1.580 -3.925 1.00 0.00 C ATOM 376 NE1 TRP A 25 3.666 -2.423 -5.289 1.00 0.00 N ATOM 377 CE2 TRP A 25 3.717 -1.816 -4.076 1.00 0.00 C ATOM 378 CE3 TRP A 25 5.495 -0.968 -2.736 1.00 0.00 C ATOM 379 CZ2 TRP A 25 2.814 -1.463 -3.106 1.00 0.00 C ATOM 380 CZ3 TRP A 25 4.574 -0.615 -1.767 1.00 0.00 C ATOM 381 CH2 TRP A 25 3.241 -0.862 -1.954 1.00 0.00 C ATOM 382 H TRP A 25 7.272 1.182 -4.816 1.00 0.00 H ATOM 383 HA TRP A 25 8.139 -0.730 -3.803 1.00 0.00 H ATOM 384 HB2 TRP A 25 7.440 -2.278 -6.341 1.00 0.00 H ATOM 385 HB3 TRP A 25 7.686 -2.942 -4.745 1.00 0.00 H ATOM 386 HD1 TRP A 25 5.054 -3.026 -6.848 1.00 0.00 H ATOM 387 HE1 TRP A 25 2.820 -2.742 -5.683 1.00 0.00 H ATOM 388 HE3 TRP A 25 6.511 -0.791 -2.552 1.00 0.00 H ATOM 389 HZ2 TRP A 25 1.774 -1.694 -3.239 1.00 0.00 H ATOM 390 HZ3 TRP A 25 4.910 -0.141 -0.857 1.00 0.00 H ATOM 391 HH2 TRP A 25 2.529 -0.586 -1.191 1.00 0.00 H ATOM 392 N SER A 26 10.194 0.154 -5.386 1.00 0.00 N ATOM 393 CA SER A 26 11.597 0.148 -5.856 1.00 0.00 C ATOM 394 C SER A 26 12.494 -0.385 -4.734 1.00 0.00 C ATOM 395 O SER A 26 12.844 -1.548 -4.733 1.00 0.00 O ATOM 396 CB SER A 26 11.983 1.599 -6.227 1.00 0.00 C ATOM 397 OG SER A 26 12.613 1.475 -7.493 1.00 0.00 O ATOM 398 H SER A 26 9.786 0.981 -5.086 1.00 0.00 H ATOM 399 HA SER A 26 11.676 -0.512 -6.720 1.00 0.00 H ATOM 400 HB2 SER A 26 11.093 2.220 -6.313 1.00 0.00 H ATOM 401 HB3 SER A 26 12.669 2.022 -5.510 1.00 0.00 H ATOM 402 HG SER A 26 13.486 1.101 -7.354 1.00 0.00 H ATOM 403 N SER A 27 12.856 0.459 -3.793 1.00 0.00 N ATOM 404 CA SER A 27 13.722 -0.040 -2.690 1.00 0.00 C ATOM 405 C SER A 27 14.236 1.045 -1.759 1.00 0.00 C ATOM 406 O SER A 27 14.105 2.228 -2.003 1.00 0.00 O ATOM 407 CB SER A 27 14.914 -0.798 -3.290 1.00 0.00 C ATOM 408 OG SER A 27 14.539 -2.164 -3.200 1.00 0.00 O ATOM 409 H SER A 27 12.565 1.393 -3.819 1.00 0.00 H ATOM 410 HA SER A 27 13.115 -0.698 -2.078 1.00 0.00 H ATOM 411 HB2 SER A 27 15.067 -0.519 -4.321 1.00 0.00 H ATOM 412 HB3 SER A 27 15.810 -0.618 -2.713 1.00 0.00 H ATOM 413 HG SER A 27 13.582 -2.205 -3.129 1.00 0.00 H ATOM 414 N THR A 28 14.821 0.576 -0.696 1.00 0.00 N ATOM 415 CA THR A 28 15.382 1.474 0.331 1.00 0.00 C ATOM 416 C THR A 28 16.539 2.324 -0.130 1.00 0.00 C ATOM 417 O THR A 28 16.886 3.278 0.537 1.00 0.00 O ATOM 418 CB THR A 28 15.927 0.603 1.461 1.00 0.00 C ATOM 419 OG1 THR A 28 14.919 0.598 2.453 1.00 0.00 O ATOM 420 CG2 THR A 28 17.136 1.293 2.134 1.00 0.00 C ATOM 421 H THR A 28 14.892 -0.394 -0.575 1.00 0.00 H ATOM 422 HA THR A 28 14.601 2.111 0.705 1.00 0.00 H ATOM 423 HB THR A 28 16.149 -0.405 1.126 1.00 0.00 H ATOM 424 HG1 THR A 28 14.623 -0.307 2.571 1.00 0.00 H ATOM 425 HG21 THR A 28 16.842 2.291 2.453 1.00 0.00 H ATOM 426 HG22 THR A 28 17.440 0.729 2.991 1.00 0.00 H ATOM 427 HG23 THR A 28 17.991 1.366 1.425 1.00 0.00 H ATOM 428 N SER A 29 17.094 2.087 -1.248 1.00 0.00 N ATOM 429 CA SER A 29 18.200 2.975 -1.558 1.00 0.00 C ATOM 430 C SER A 29 17.646 4.314 -1.719 1.00 0.00 C ATOM 431 O SER A 29 18.032 5.219 -1.005 1.00 0.00 O ATOM 432 CB SER A 29 18.950 2.452 -2.753 1.00 0.00 C ATOM 433 OG SER A 29 18.042 1.565 -3.390 1.00 0.00 O ATOM 434 H SER A 29 16.795 1.373 -1.853 1.00 0.00 H ATOM 435 HA SER A 29 18.859 2.996 -0.683 1.00 0.00 H ATOM 436 HB2 SER A 29 19.247 3.248 -3.407 1.00 0.00 H ATOM 437 HB3 SER A 29 19.810 1.901 -2.400 1.00 0.00 H ATOM 438 HG SER A 29 18.554 0.882 -3.830 1.00 0.00 H ATOM 439 N PRO A 30 16.697 4.508 -2.685 1.00 0.00 N ATOM 440 CA PRO A 30 16.076 5.737 -2.694 1.00 0.00 C ATOM 441 C PRO A 30 15.270 5.719 -1.417 1.00 0.00 C ATOM 442 O PRO A 30 15.579 6.395 -0.457 1.00 0.00 O ATOM 443 CB PRO A 30 15.159 5.741 -3.932 1.00 0.00 C ATOM 444 CG PRO A 30 15.240 4.309 -4.539 1.00 0.00 C ATOM 445 CD PRO A 30 16.333 3.570 -3.758 1.00 0.00 C ATOM 446 HA PRO A 30 16.795 6.510 -2.674 1.00 0.00 H ATOM 447 HB2 PRO A 30 14.142 5.967 -3.640 1.00 0.00 H ATOM 448 HB3 PRO A 30 15.504 6.471 -4.649 1.00 0.00 H ATOM 449 HG2 PRO A 30 14.299 3.800 -4.426 1.00 0.00 H ATOM 450 HG3 PRO A 30 15.502 4.362 -5.586 1.00 0.00 H ATOM 451 HD2 PRO A 30 15.961 2.646 -3.348 1.00 0.00 H ATOM 452 HD3 PRO A 30 17.175 3.393 -4.401 1.00 0.00 H ATOM 453 N HIS A 31 14.263 4.906 -1.456 1.00 0.00 N ATOM 454 CA HIS A 31 13.353 4.733 -0.301 1.00 0.00 C ATOM 455 C HIS A 31 12.229 3.783 -0.651 1.00 0.00 C ATOM 456 O HIS A 31 11.436 4.075 -1.503 1.00 0.00 O ATOM 457 CB HIS A 31 12.728 6.026 0.184 1.00 0.00 C ATOM 458 CG HIS A 31 12.221 5.689 1.581 1.00 0.00 C ATOM 459 ND1 HIS A 31 12.724 6.088 2.646 1.00 0.00 N ATOM 460 CD2 HIS A 31 11.211 4.831 1.957 1.00 0.00 C ATOM 461 CE1 HIS A 31 12.143 5.571 3.646 1.00 0.00 C ATOM 462 NE2 HIS A 31 11.162 4.758 3.300 1.00 0.00 N ATOM 463 H HIS A 31 14.103 4.397 -2.273 1.00 0.00 H ATOM 464 HA HIS A 31 13.927 4.281 0.504 1.00 0.00 H ATOM 465 HB2 HIS A 31 13.453 6.817 0.235 1.00 0.00 H ATOM 466 HB3 HIS A 31 11.903 6.312 -0.451 1.00 0.00 H ATOM 467 HD1 HIS A 31 13.472 6.719 2.704 1.00 0.00 H ATOM 468 HD2 HIS A 31 10.595 4.277 1.290 1.00 0.00 H ATOM 469 HE1 HIS A 31 12.422 5.757 4.653 1.00 0.00 H ATOM 470 N ARG A 32 12.185 2.660 0.026 1.00 0.00 N ATOM 471 CA ARG A 32 11.114 1.649 -0.240 1.00 0.00 C ATOM 472 C ARG A 32 11.561 0.269 0.359 1.00 0.00 C ATOM 473 O ARG A 32 12.677 -0.147 0.138 1.00 0.00 O ATOM 474 CB ARG A 32 10.954 1.499 -1.787 1.00 0.00 C ATOM 475 CG ARG A 32 9.731 2.322 -2.322 1.00 0.00 C ATOM 476 CD ARG A 32 10.056 3.102 -3.646 1.00 0.00 C ATOM 477 NE ARG A 32 11.506 3.417 -3.802 1.00 0.00 N ATOM 478 CZ ARG A 32 11.853 4.597 -4.248 1.00 0.00 C ATOM 479 NH1 ARG A 32 11.727 5.636 -3.467 1.00 0.00 N ATOM 480 NH2 ARG A 32 12.314 4.698 -5.465 1.00 0.00 N ATOM 481 H ARG A 32 12.854 2.482 0.711 1.00 0.00 H ATOM 482 HA ARG A 32 10.209 1.988 0.224 1.00 0.00 H ATOM 483 HB2 ARG A 32 11.833 1.827 -2.243 1.00 0.00 H ATOM 484 HB3 ARG A 32 10.810 0.456 -2.027 1.00 0.00 H ATOM 485 HG2 ARG A 32 8.923 1.640 -2.519 1.00 0.00 H ATOM 486 HG3 ARG A 32 9.415 3.023 -1.585 1.00 0.00 H ATOM 487 HD2 ARG A 32 9.730 2.528 -4.484 1.00 0.00 H ATOM 488 HD3 ARG A 32 9.520 4.027 -3.645 1.00 0.00 H ATOM 489 HE ARG A 32 12.188 2.751 -3.591 1.00 0.00 H ATOM 490 HH11 ARG A 32 11.368 5.526 -2.542 1.00 0.00 H ATOM 491 HH12 ARG A 32 11.989 6.543 -3.796 1.00 0.00 H ATOM 492 HH21 ARG A 32 12.396 3.882 -6.038 1.00 0.00 H ATOM 493 HH22 ARG A 32 12.584 5.591 -5.825 1.00 0.00 H ATOM 494 N PRO A 33 10.691 -0.421 1.119 1.00 0.00 N ATOM 495 CA PRO A 33 11.060 -1.726 1.710 1.00 0.00 C ATOM 496 C PRO A 33 11.407 -2.789 0.651 1.00 0.00 C ATOM 497 O PRO A 33 11.671 -2.475 -0.493 1.00 0.00 O ATOM 498 CB PRO A 33 9.803 -2.175 2.491 1.00 0.00 C ATOM 499 CG PRO A 33 8.705 -1.098 2.275 1.00 0.00 C ATOM 500 CD PRO A 33 9.327 0.036 1.450 1.00 0.00 C ATOM 501 HA PRO A 33 11.902 -1.593 2.381 1.00 0.00 H ATOM 502 HB2 PRO A 33 9.456 -3.127 2.122 1.00 0.00 H ATOM 503 HB3 PRO A 33 10.034 -2.258 3.542 1.00 0.00 H ATOM 504 HG2 PRO A 33 7.869 -1.525 1.741 1.00 0.00 H ATOM 505 HG3 PRO A 33 8.369 -0.718 3.228 1.00 0.00 H ATOM 506 HD2 PRO A 33 8.765 0.198 0.550 1.00 0.00 H ATOM 507 HD3 PRO A 33 9.367 0.941 2.039 1.00 0.00 H ATOM 508 N ARG A 34 11.393 -4.035 1.081 1.00 0.00 N ATOM 509 CA ARG A 34 11.708 -5.167 0.166 1.00 0.00 C ATOM 510 C ARG A 34 10.522 -6.120 0.136 1.00 0.00 C ATOM 511 O ARG A 34 10.656 -7.318 0.290 1.00 0.00 O ATOM 512 CB ARG A 34 12.942 -5.918 0.702 1.00 0.00 C ATOM 513 CG ARG A 34 12.785 -6.152 2.216 1.00 0.00 C ATOM 514 CD ARG A 34 13.090 -4.860 3.000 1.00 0.00 C ATOM 515 NE ARG A 34 14.160 -5.146 3.997 1.00 0.00 N ATOM 516 CZ ARG A 34 14.221 -4.439 5.093 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.141 -4.292 5.810 1.00 0.00 N ATOM 518 NH2 ARG A 34 15.361 -3.903 5.435 1.00 0.00 N ATOM 519 H ARG A 34 11.153 -4.221 2.007 1.00 0.00 H ATOM 520 HA ARG A 34 11.884 -4.783 -0.838 1.00 0.00 H ATOM 521 HB2 ARG A 34 13.023 -6.871 0.201 1.00 0.00 H ATOM 522 HB3 ARG A 34 13.836 -5.345 0.503 1.00 0.00 H ATOM 523 HG2 ARG A 34 11.773 -6.468 2.426 1.00 0.00 H ATOM 524 HG3 ARG A 34 13.465 -6.930 2.530 1.00 0.00 H ATOM 525 HD2 ARG A 34 13.425 -4.081 2.335 1.00 0.00 H ATOM 526 HD3 ARG A 34 12.201 -4.529 3.517 1.00 0.00 H ATOM 527 HE ARG A 34 14.812 -5.858 3.831 1.00 0.00 H ATOM 528 HH11 ARG A 34 12.284 -4.718 5.517 1.00 0.00 H ATOM 529 HH12 ARG A 34 13.169 -3.754 6.652 1.00 0.00 H ATOM 530 HH21 ARG A 34 16.169 -4.037 4.861 1.00 0.00 H ATOM 531 HH22 ARG A 34 15.426 -3.359 6.271 1.00 0.00 H ATOM 532 N PHE A 35 9.388 -5.539 -0.064 1.00 0.00 N ATOM 533 CA PHE A 35 8.114 -6.309 -0.122 1.00 0.00 C ATOM 534 C PHE A 35 7.937 -7.026 -1.463 1.00 0.00 C ATOM 535 O PHE A 35 8.247 -6.480 -2.501 1.00 0.00 O ATOM 536 CB PHE A 35 7.008 -5.256 -0.001 1.00 0.00 C ATOM 537 CG PHE A 35 5.703 -5.856 0.517 1.00 0.00 C ATOM 538 CD1 PHE A 35 4.989 -6.768 -0.242 1.00 0.00 C ATOM 539 CD2 PHE A 35 5.170 -5.420 1.716 1.00 0.00 C ATOM 540 CE1 PHE A 35 3.770 -7.225 0.188 1.00 0.00 C ATOM 541 CE2 PHE A 35 3.949 -5.878 2.141 1.00 0.00 C ATOM 542 CZ PHE A 35 3.244 -6.775 1.379 1.00 0.00 C ATOM 543 H PHE A 35 9.366 -4.564 -0.162 1.00 0.00 H ATOM 544 HA PHE A 35 8.066 -7.034 0.699 1.00 0.00 H ATOM 545 HB2 PHE A 35 7.330 -4.478 0.674 1.00 0.00 H ATOM 546 HB3 PHE A 35 6.827 -4.818 -0.972 1.00 0.00 H ATOM 547 HD1 PHE A 35 5.376 -7.106 -1.182 1.00 0.00 H ATOM 548 HD2 PHE A 35 5.717 -4.716 2.324 1.00 0.00 H ATOM 549 HE1 PHE A 35 3.237 -7.953 -0.401 1.00 0.00 H ATOM 550 HE2 PHE A 35 3.538 -5.523 3.072 1.00 0.00 H ATOM 551 HZ PHE A 35 2.251 -7.068 1.679 1.00 0.00 H ATOM 552 N SER A 36 7.418 -8.240 -1.388 1.00 0.00 N ATOM 553 CA SER A 36 7.183 -9.067 -2.625 1.00 0.00 C ATOM 554 C SER A 36 7.110 -10.629 -2.433 1.00 0.00 C ATOM 555 O SER A 36 6.811 -11.322 -3.385 1.00 0.00 O ATOM 556 CB SER A 36 8.294 -8.786 -3.654 1.00 0.00 C ATOM 557 OG SER A 36 7.787 -7.711 -4.434 1.00 0.00 O ATOM 558 H SER A 36 7.166 -8.583 -0.529 1.00 0.00 H ATOM 559 HA SER A 36 6.238 -8.764 -3.013 1.00 0.00 H ATOM 560 HB2 SER A 36 9.214 -8.499 -3.166 1.00 0.00 H ATOM 561 HB3 SER A 36 8.458 -9.650 -4.280 1.00 0.00 H ATOM 562 HG SER A 36 8.531 -7.272 -4.854 1.00 0.00 H ATOM 563 N PRO A 37 7.371 -11.170 -1.248 1.00 0.00 N ATOM 564 CA PRO A 37 7.307 -12.630 -1.056 1.00 0.00 C ATOM 565 C PRO A 37 5.918 -13.199 -1.378 1.00 0.00 C ATOM 566 O PRO A 37 4.923 -12.505 -1.302 1.00 0.00 O ATOM 567 CB PRO A 37 7.635 -12.833 0.428 1.00 0.00 C ATOM 568 CG PRO A 37 8.106 -11.457 0.970 1.00 0.00 C ATOM 569 CD PRO A 37 7.746 -10.418 -0.057 1.00 0.00 C ATOM 570 HA PRO A 37 8.051 -13.109 -1.686 1.00 0.00 H ATOM 571 HB2 PRO A 37 6.756 -13.160 0.961 1.00 0.00 H ATOM 572 HB3 PRO A 37 8.421 -13.565 0.539 1.00 0.00 H ATOM 573 HG2 PRO A 37 7.618 -11.226 1.890 1.00 0.00 H ATOM 574 HG3 PRO A 37 9.165 -11.459 1.110 1.00 0.00 H ATOM 575 HD2 PRO A 37 6.909 -9.840 0.297 1.00 0.00 H ATOM 576 HD3 PRO A 37 8.597 -9.790 -0.259 1.00 0.00 H ATOM 577 N ALA A 38 5.888 -14.464 -1.734 1.00 0.00 N ATOM 578 CA ALA A 38 4.587 -15.116 -2.071 1.00 0.00 C ATOM 579 C ALA A 38 3.925 -15.771 -0.854 1.00 0.00 C ATOM 580 O ALA A 38 2.807 -16.241 -0.939 1.00 0.00 O ATOM 581 CB ALA A 38 4.865 -16.207 -3.108 1.00 0.00 C ATOM 582 H ALA A 38 6.720 -14.979 -1.778 1.00 0.00 H ATOM 583 HA ALA A 38 3.913 -14.367 -2.477 1.00 0.00 H ATOM 584 HB1 ALA A 38 5.424 -15.792 -3.934 1.00 0.00 H ATOM 585 HB2 ALA A 38 5.440 -17.000 -2.653 1.00 0.00 H ATOM 586 HB3 ALA A 38 3.933 -16.609 -3.475 1.00 0.00 H ATOM 587 N THR A 39 4.615 -15.794 0.250 1.00 0.00 N ATOM 588 CA THR A 39 4.028 -16.414 1.459 1.00 0.00 C ATOM 589 C THR A 39 3.042 -15.458 2.109 1.00 0.00 C ATOM 590 O THR A 39 2.747 -15.550 3.284 1.00 0.00 O ATOM 591 CB THR A 39 5.155 -16.716 2.451 1.00 0.00 C ATOM 592 OG1 THR A 39 4.550 -17.464 3.487 1.00 0.00 O ATOM 593 CG2 THR A 39 5.640 -15.431 3.135 1.00 0.00 C ATOM 594 H THR A 39 5.496 -15.415 0.280 1.00 0.00 H ATOM 595 HA THR A 39 3.514 -17.315 1.169 1.00 0.00 H ATOM 596 HB THR A 39 5.961 -17.278 1.987 1.00 0.00 H ATOM 597 HG1 THR A 39 3.665 -17.117 3.626 1.00 0.00 H ATOM 598 HG21 THR A 39 5.650 -14.621 2.423 1.00 0.00 H ATOM 599 HG22 THR A 39 4.979 -15.180 3.950 1.00 0.00 H ATOM 600 HG23 THR A 39 6.639 -15.578 3.520 1.00 0.00 H ATOM 601 N HIS A 40 2.556 -14.560 1.312 1.00 0.00 N ATOM 602 CA HIS A 40 1.584 -13.560 1.803 1.00 0.00 C ATOM 603 C HIS A 40 0.152 -13.901 1.318 1.00 0.00 C ATOM 604 O HIS A 40 -0.008 -14.525 0.287 1.00 0.00 O ATOM 605 CB HIS A 40 2.022 -12.232 1.193 1.00 0.00 C ATOM 606 CG HIS A 40 3.307 -11.785 1.897 1.00 0.00 C ATOM 607 ND1 HIS A 40 4.258 -12.541 2.206 1.00 0.00 N ATOM 608 CD2 HIS A 40 3.684 -10.540 2.331 1.00 0.00 C ATOM 609 CE1 HIS A 40 5.187 -11.897 2.788 1.00 0.00 C ATOM 610 NE2 HIS A 40 4.904 -10.609 2.910 1.00 0.00 N ATOM 611 H HIS A 40 2.842 -14.539 0.378 1.00 0.00 H ATOM 612 HA HIS A 40 1.626 -13.519 2.884 1.00 0.00 H ATOM 613 HB2 HIS A 40 2.223 -12.362 0.141 1.00 0.00 H ATOM 614 HB3 HIS A 40 1.256 -11.491 1.318 1.00 0.00 H ATOM 615 HD1 HIS A 40 4.283 -13.504 2.023 1.00 0.00 H ATOM 616 HD2 HIS A 40 3.105 -9.662 2.229 1.00 0.00 H ATOM 617 HE1 HIS A 40 6.098 -12.343 3.144 1.00 0.00 H ATOM 618 N PRO A 41 -0.877 -13.486 2.068 1.00 0.00 N ATOM 619 CA PRO A 41 -2.254 -13.764 1.682 1.00 0.00 C ATOM 620 C PRO A 41 -2.452 -13.534 0.196 1.00 0.00 C ATOM 621 O PRO A 41 -3.003 -14.362 -0.503 1.00 0.00 O ATOM 622 CB PRO A 41 -3.072 -12.741 2.488 1.00 0.00 C ATOM 623 CG PRO A 41 -2.172 -12.267 3.654 1.00 0.00 C ATOM 624 CD PRO A 41 -0.745 -12.704 3.310 1.00 0.00 C ATOM 625 HA PRO A 41 -2.519 -14.782 1.946 1.00 0.00 H ATOM 626 HB2 PRO A 41 -3.318 -11.897 1.861 1.00 0.00 H ATOM 627 HB3 PRO A 41 -3.970 -13.193 2.868 1.00 0.00 H ATOM 628 HG2 PRO A 41 -2.219 -11.192 3.747 1.00 0.00 H ATOM 629 HG3 PRO A 41 -2.488 -12.726 4.579 1.00 0.00 H ATOM 630 HD2 PRO A 41 -0.133 -11.867 3.144 1.00 0.00 H ATOM 631 HD3 PRO A 41 -0.336 -13.320 4.096 1.00 0.00 H ATOM 632 N SER A 42 -1.997 -12.407 -0.251 1.00 0.00 N ATOM 633 CA SER A 42 -2.130 -12.071 -1.680 1.00 0.00 C ATOM 634 C SER A 42 -0.878 -11.354 -2.143 1.00 0.00 C ATOM 635 O SER A 42 0.197 -11.597 -1.633 1.00 0.00 O ATOM 636 CB SER A 42 -3.337 -11.137 -1.852 1.00 0.00 C ATOM 637 OG SER A 42 -3.831 -11.442 -3.148 1.00 0.00 O ATOM 638 H SER A 42 -1.563 -11.777 0.361 1.00 0.00 H ATOM 639 HA SER A 42 -2.254 -12.986 -2.256 1.00 0.00 H ATOM 640 HB2 SER A 42 -4.091 -11.344 -1.107 1.00 0.00 H ATOM 641 HB3 SER A 42 -3.031 -10.102 -1.802 1.00 0.00 H ATOM 642 HG SER A 42 -4.738 -11.133 -3.200 1.00 0.00 H ATOM 643 N GLU A 43 -1.029 -10.486 -3.093 1.00 0.00 N ATOM 644 CA GLU A 43 0.154 -9.750 -3.589 1.00 0.00 C ATOM 645 C GLU A 43 -0.250 -8.745 -4.637 1.00 0.00 C ATOM 646 O GLU A 43 0.330 -8.682 -5.702 1.00 0.00 O ATOM 647 CB GLU A 43 1.139 -10.752 -4.215 1.00 0.00 C ATOM 648 CG GLU A 43 0.366 -11.723 -5.111 1.00 0.00 C ATOM 649 CD GLU A 43 0.039 -12.992 -4.321 1.00 0.00 C ATOM 650 OE1 GLU A 43 0.978 -13.546 -3.774 1.00 0.00 O ATOM 651 OE2 GLU A 43 -1.132 -13.335 -4.309 1.00 0.00 O ATOM 652 H GLU A 43 -1.915 -10.319 -3.476 1.00 0.00 H ATOM 653 HA GLU A 43 0.610 -9.218 -2.757 1.00 0.00 H ATOM 654 HB2 GLU A 43 1.870 -10.220 -4.805 1.00 0.00 H ATOM 655 HB3 GLU A 43 1.647 -11.300 -3.438 1.00 0.00 H ATOM 656 HG2 GLU A 43 -0.553 -11.262 -5.442 1.00 0.00 H ATOM 657 HG3 GLU A 43 0.965 -11.983 -5.971 1.00 0.00 H ATOM 658 N GLY A 44 -1.239 -7.972 -4.320 1.00 0.00 N ATOM 659 CA GLY A 44 -1.692 -6.962 -5.291 1.00 0.00 C ATOM 660 C GLY A 44 -0.719 -5.782 -5.299 1.00 0.00 C ATOM 661 O GLY A 44 -1.083 -4.674 -5.636 1.00 0.00 O ATOM 662 H GLY A 44 -1.680 -8.057 -3.449 1.00 0.00 H ATOM 663 HA2 GLY A 44 -1.721 -7.405 -6.276 1.00 0.00 H ATOM 664 HA3 GLY A 44 -2.674 -6.627 -5.029 1.00 0.00 H ATOM 665 N LEU A 45 0.507 -6.053 -4.913 1.00 0.00 N ATOM 666 CA LEU A 45 1.523 -4.998 -4.886 1.00 0.00 C ATOM 667 C LEU A 45 1.985 -4.714 -6.296 1.00 0.00 C ATOM 668 O LEU A 45 3.129 -4.927 -6.646 1.00 0.00 O ATOM 669 CB LEU A 45 2.719 -5.527 -4.067 1.00 0.00 C ATOM 670 CG LEU A 45 2.502 -5.458 -2.519 1.00 0.00 C ATOM 671 CD1 LEU A 45 3.695 -4.706 -1.975 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.197 -4.742 -2.097 1.00 0.00 C ATOM 673 H LEU A 45 0.742 -6.944 -4.611 1.00 0.00 H ATOM 674 HA LEU A 45 1.121 -4.100 -4.480 1.00 0.00 H ATOM 675 HB2 LEU A 45 2.909 -6.553 -4.344 1.00 0.00 H ATOM 676 HB3 LEU A 45 3.593 -4.944 -4.315 1.00 0.00 H ATOM 677 HG LEU A 45 2.494 -6.443 -2.104 1.00 0.00 H ATOM 678 HD11 LEU A 45 4.602 -5.195 -2.289 1.00 0.00 H ATOM 679 HD12 LEU A 45 3.684 -3.719 -2.358 1.00 0.00 H ATOM 680 HD13 LEU A 45 3.664 -4.674 -0.921 1.00 0.00 H ATOM 681 HD21 LEU A 45 0.355 -5.135 -2.644 1.00 0.00 H ATOM 682 HD22 LEU A 45 1.020 -4.903 -1.062 1.00 0.00 H ATOM 683 HD23 LEU A 45 1.287 -3.686 -2.269 1.00 0.00 H ATOM 684 N GLU A 46 1.065 -4.233 -7.081 1.00 0.00 N ATOM 685 CA GLU A 46 1.380 -3.916 -8.466 1.00 0.00 C ATOM 686 C GLU A 46 2.088 -2.579 -8.553 1.00 0.00 C ATOM 687 O GLU A 46 1.524 -1.565 -8.241 1.00 0.00 O ATOM 688 CB GLU A 46 0.033 -3.887 -9.265 1.00 0.00 C ATOM 689 CG GLU A 46 -0.201 -2.531 -9.985 1.00 0.00 C ATOM 690 CD GLU A 46 -1.357 -2.695 -10.973 1.00 0.00 C ATOM 691 OE1 GLU A 46 -2.482 -2.575 -10.515 1.00 0.00 O ATOM 692 OE2 GLU A 46 -1.051 -2.929 -12.131 1.00 0.00 O ATOM 693 H GLU A 46 0.172 -4.088 -6.749 1.00 0.00 H ATOM 694 HA GLU A 46 2.031 -4.684 -8.848 1.00 0.00 H ATOM 695 HB2 GLU A 46 0.041 -4.679 -9.998 1.00 0.00 H ATOM 696 HB3 GLU A 46 -0.784 -4.062 -8.579 1.00 0.00 H ATOM 697 HG2 GLU A 46 -0.467 -1.771 -9.267 1.00 0.00 H ATOM 698 HG3 GLU A 46 0.679 -2.223 -10.531 1.00 0.00 H ATOM 699 N GLU A 47 3.322 -2.622 -8.958 1.00 0.00 N ATOM 700 CA GLU A 47 4.117 -1.372 -9.087 1.00 0.00 C ATOM 701 C GLU A 47 3.996 -0.429 -7.893 1.00 0.00 C ATOM 702 O GLU A 47 4.879 -0.333 -7.085 1.00 0.00 O ATOM 703 CB GLU A 47 3.602 -0.628 -10.325 1.00 0.00 C ATOM 704 CG GLU A 47 4.363 -1.118 -11.558 1.00 0.00 C ATOM 705 CD GLU A 47 5.785 -0.553 -11.532 1.00 0.00 C ATOM 706 OE1 GLU A 47 5.889 0.657 -11.651 1.00 0.00 O ATOM 707 OE2 GLU A 47 6.687 -1.363 -11.395 1.00 0.00 O ATOM 708 H GLU A 47 3.731 -3.485 -9.182 1.00 0.00 H ATOM 709 HA GLU A 47 5.150 -1.630 -9.214 1.00 0.00 H ATOM 710 HB2 GLU A 47 2.544 -0.818 -10.448 1.00 0.00 H ATOM 711 HB3 GLU A 47 3.757 0.433 -10.200 1.00 0.00 H ATOM 712 HG2 GLU A 47 4.408 -2.197 -11.556 1.00 0.00 H ATOM 713 HG3 GLU A 47 3.862 -0.783 -12.454 1.00 0.00 H ATOM 714 N ASN A 48 2.894 0.228 -7.820 1.00 0.00 N ATOM 715 CA ASN A 48 2.645 1.188 -6.712 1.00 0.00 C ATOM 716 C ASN A 48 1.255 0.953 -6.124 1.00 0.00 C ATOM 717 O ASN A 48 0.322 1.644 -6.487 1.00 0.00 O ATOM 718 CB ASN A 48 2.650 2.581 -7.371 1.00 0.00 C ATOM 719 CG ASN A 48 1.640 2.590 -8.523 1.00 0.00 C ATOM 720 OD1 ASN A 48 0.960 1.615 -8.775 1.00 0.00 O ATOM 721 ND2 ASN A 48 1.512 3.670 -9.244 1.00 0.00 N ATOM 722 H ASN A 48 2.202 0.066 -8.482 1.00 0.00 H ATOM 723 HA ASN A 48 3.426 1.092 -5.932 1.00 0.00 H ATOM 724 HB2 ASN A 48 2.387 3.334 -6.648 1.00 0.00 H ATOM 725 HB3 ASN A 48 3.620 2.797 -7.774 1.00 0.00 H ATOM 726 HD21 ASN A 48 2.061 4.464 -9.043 1.00 0.00 H ATOM 727 HD22 ASN A 48 0.865 3.690 -9.989 1.00 0.00 H ATOM 728 N TYR A 49 1.134 0.003 -5.222 1.00 0.00 N ATOM 729 CA TYR A 49 -0.194 -0.264 -4.632 1.00 0.00 C ATOM 730 C TYR A 49 -0.313 -0.260 -3.120 1.00 0.00 C ATOM 731 O TYR A 49 0.606 0.019 -2.391 1.00 0.00 O ATOM 732 CB TYR A 49 -0.514 -1.697 -5.033 1.00 0.00 C ATOM 733 CG TYR A 49 -1.691 -1.667 -5.976 1.00 0.00 C ATOM 734 CD1 TYR A 49 -1.647 -0.860 -7.083 1.00 0.00 C ATOM 735 CD2 TYR A 49 -2.818 -2.398 -5.717 1.00 0.00 C ATOM 736 CE1 TYR A 49 -2.732 -0.778 -7.930 1.00 0.00 C ATOM 737 CE2 TYR A 49 -3.909 -2.324 -6.559 1.00 0.00 C ATOM 738 CZ TYR A 49 -3.876 -1.513 -7.671 1.00 0.00 C ATOM 739 OH TYR A 49 -4.964 -1.435 -8.515 1.00 0.00 O ATOM 740 H TYR A 49 1.877 -0.540 -4.986 1.00 0.00 H ATOM 741 HA TYR A 49 -0.903 0.417 -5.045 1.00 0.00 H ATOM 742 HB2 TYR A 49 0.337 -2.136 -5.529 1.00 0.00 H ATOM 743 HB3 TYR A 49 -0.737 -2.292 -4.136 1.00 0.00 H ATOM 744 HD1 TYR A 49 -0.739 -0.275 -7.280 1.00 0.00 H ATOM 745 HD2 TYR A 49 -2.848 -3.032 -4.850 1.00 0.00 H ATOM 746 HE1 TYR A 49 -2.688 -0.138 -8.799 1.00 0.00 H ATOM 747 HE2 TYR A 49 -4.796 -2.898 -6.343 1.00 0.00 H ATOM 748 HH TYR A 49 -4.638 -1.411 -9.418 1.00 0.00 H ATOM 749 N CYS A 50 -1.529 -0.566 -2.708 1.00 0.00 N ATOM 750 CA CYS A 50 -1.860 -0.630 -1.280 1.00 0.00 C ATOM 751 C CYS A 50 -2.799 -1.770 -1.090 1.00 0.00 C ATOM 752 O CYS A 50 -3.933 -1.729 -1.529 1.00 0.00 O ATOM 753 CB CYS A 50 -2.583 0.614 -0.819 1.00 0.00 C ATOM 754 SG CYS A 50 -1.989 2.221 -1.346 1.00 0.00 S ATOM 755 H CYS A 50 -2.244 -0.722 -3.374 1.00 0.00 H ATOM 756 HA CYS A 50 -0.961 -0.833 -0.704 1.00 0.00 H ATOM 757 HB2 CYS A 50 -3.608 0.534 -1.143 1.00 0.00 H ATOM 758 HB3 CYS A 50 -2.580 0.604 0.260 1.00 0.00 H ATOM 759 N ARG A 51 -2.332 -2.751 -0.425 1.00 0.00 N ATOM 760 CA ARG A 51 -3.188 -3.937 -0.185 1.00 0.00 C ATOM 761 C ARG A 51 -2.913 -4.461 1.213 1.00 0.00 C ATOM 762 O ARG A 51 -2.583 -3.685 2.087 1.00 0.00 O ATOM 763 CB ARG A 51 -2.817 -5.007 -1.260 1.00 0.00 C ATOM 764 CG ARG A 51 -3.516 -4.680 -2.584 1.00 0.00 C ATOM 765 CD ARG A 51 -4.939 -5.264 -2.587 1.00 0.00 C ATOM 766 NE ARG A 51 -5.652 -4.794 -3.811 1.00 0.00 N ATOM 767 CZ ARG A 51 -5.482 -5.431 -4.940 1.00 0.00 C ATOM 768 NH1 ARG A 51 -4.436 -5.161 -5.666 1.00 0.00 N ATOM 769 NH2 ARG A 51 -6.366 -6.314 -5.306 1.00 0.00 N ATOM 770 H ARG A 51 -1.406 -2.695 -0.041 1.00 0.00 H ATOM 771 HA ARG A 51 -4.228 -3.651 -0.260 1.00 0.00 H ATOM 772 HB2 ARG A 51 -1.740 -5.004 -1.420 1.00 0.00 H ATOM 773 HB3 ARG A 51 -3.126 -5.982 -0.941 1.00 0.00 H ATOM 774 HG2 ARG A 51 -3.566 -3.624 -2.717 1.00 0.00 H ATOM 775 HG3 ARG A 51 -2.954 -5.100 -3.391 1.00 0.00 H ATOM 776 HD2 ARG A 51 -4.892 -6.343 -2.594 1.00 0.00 H ATOM 777 HD3 ARG A 51 -5.477 -4.937 -1.713 1.00 0.00 H ATOM 778 HE ARG A 51 -6.243 -4.013 -3.768 1.00 0.00 H ATOM 779 HH11 ARG A 51 -3.778 -4.477 -5.358 1.00 0.00 H ATOM 780 HH12 ARG A 51 -4.292 -5.639 -6.532 1.00 0.00 H ATOM 781 HH21 ARG A 51 -7.157 -6.495 -4.729 1.00 0.00 H ATOM 782 HH22 ARG A 51 -6.251 -6.810 -6.167 1.00 0.00 H ATOM 783 N ASN A 52 -3.071 -5.753 1.418 1.00 0.00 N ATOM 784 CA ASN A 52 -2.808 -6.299 2.761 1.00 0.00 C ATOM 785 C ASN A 52 -2.060 -7.667 2.725 1.00 0.00 C ATOM 786 O ASN A 52 -2.376 -8.563 3.484 1.00 0.00 O ATOM 787 CB ASN A 52 -4.163 -6.503 3.469 1.00 0.00 C ATOM 788 CG ASN A 52 -4.195 -5.684 4.761 1.00 0.00 C ATOM 789 OD1 ASN A 52 -4.643 -6.149 5.789 1.00 0.00 O ATOM 790 ND2 ASN A 52 -3.733 -4.464 4.753 1.00 0.00 N ATOM 791 H ASN A 52 -3.366 -6.339 0.698 1.00 0.00 H ATOM 792 HA ASN A 52 -2.198 -5.583 3.291 1.00 0.00 H ATOM 793 HB2 ASN A 52 -4.962 -6.174 2.822 1.00 0.00 H ATOM 794 HB3 ASN A 52 -4.307 -7.556 3.705 1.00 0.00 H ATOM 795 HD21 ASN A 52 -3.371 -4.082 3.925 1.00 0.00 H ATOM 796 HD22 ASN A 52 -3.747 -3.929 5.573 1.00 0.00 H ATOM 797 N PRO A 53 -1.061 -7.819 1.871 1.00 0.00 N ATOM 798 CA PRO A 53 -0.346 -9.079 1.812 1.00 0.00 C ATOM 799 C PRO A 53 0.547 -9.240 3.051 1.00 0.00 C ATOM 800 O PRO A 53 1.229 -10.214 3.204 1.00 0.00 O ATOM 801 CB PRO A 53 0.500 -8.984 0.519 1.00 0.00 C ATOM 802 CG PRO A 53 0.232 -7.585 -0.098 1.00 0.00 C ATOM 803 CD PRO A 53 -0.569 -6.796 0.933 1.00 0.00 C ATOM 804 HA PRO A 53 -1.056 -9.899 1.759 1.00 0.00 H ATOM 805 HB2 PRO A 53 1.537 -9.090 0.743 1.00 0.00 H ATOM 806 HB3 PRO A 53 0.201 -9.755 -0.173 1.00 0.00 H ATOM 807 HG2 PRO A 53 1.149 -7.086 -0.313 1.00 0.00 H ATOM 808 HG3 PRO A 53 -0.341 -7.689 -1.006 1.00 0.00 H ATOM 809 HD2 PRO A 53 0.058 -6.101 1.451 1.00 0.00 H ATOM 810 HD3 PRO A 53 -1.348 -6.304 0.468 1.00 0.00 H ATOM 811 N ASP A 54 0.510 -8.269 3.919 1.00 0.00 N ATOM 812 CA ASP A 54 1.349 -8.357 5.146 1.00 0.00 C ATOM 813 C ASP A 54 0.481 -8.681 6.363 1.00 0.00 C ATOM 814 O ASP A 54 0.298 -9.834 6.699 1.00 0.00 O ATOM 815 CB ASP A 54 2.064 -7.006 5.338 1.00 0.00 C ATOM 816 CG ASP A 54 2.411 -6.800 6.816 1.00 0.00 C ATOM 817 OD1 ASP A 54 3.385 -7.406 7.233 1.00 0.00 O ATOM 818 OD2 ASP A 54 1.683 -6.050 7.444 1.00 0.00 O ATOM 819 H ASP A 54 -0.063 -7.489 3.766 1.00 0.00 H ATOM 820 HA ASP A 54 2.072 -9.150 5.023 1.00 0.00 H ATOM 821 HB2 ASP A 54 2.976 -7.003 4.764 1.00 0.00 H ATOM 822 HB3 ASP A 54 1.428 -6.203 4.994 1.00 0.00 H ATOM 823 N ASN A 55 -0.048 -7.666 6.983 1.00 0.00 N ATOM 824 CA ASN A 55 -0.902 -7.878 8.171 1.00 0.00 C ATOM 825 C ASN A 55 -1.435 -6.546 8.647 1.00 0.00 C ATOM 826 O ASN A 55 -1.007 -6.028 9.658 1.00 0.00 O ATOM 827 CB ASN A 55 -0.060 -8.498 9.304 1.00 0.00 C ATOM 828 CG ASN A 55 -0.991 -9.001 10.408 1.00 0.00 C ATOM 829 OD1 ASN A 55 -1.184 -10.188 10.579 1.00 0.00 O ATOM 830 ND2 ASN A 55 -1.588 -8.133 11.179 1.00 0.00 N ATOM 831 H ASN A 55 0.112 -6.764 6.661 1.00 0.00 H ATOM 832 HA ASN A 55 -1.733 -8.517 7.898 1.00 0.00 H ATOM 833 HB2 ASN A 55 0.522 -9.322 8.929 1.00 0.00 H ATOM 834 HB3 ASN A 55 0.605 -7.751 9.713 1.00 0.00 H ATOM 835 HD21 ASN A 55 -1.436 -7.174 11.046 1.00 0.00 H ATOM 836 HD22 ASN A 55 -2.187 -8.440 11.891 1.00 0.00 H ATOM 837 N ASP A 56 -2.364 -6.019 7.911 1.00 0.00 N ATOM 838 CA ASP A 56 -2.944 -4.715 8.298 1.00 0.00 C ATOM 839 C ASP A 56 -4.436 -4.657 7.928 1.00 0.00 C ATOM 840 O ASP A 56 -4.836 -3.946 7.027 1.00 0.00 O ATOM 841 CB ASP A 56 -2.170 -3.608 7.531 1.00 0.00 C ATOM 842 CG ASP A 56 -1.108 -2.997 8.453 1.00 0.00 C ATOM 843 OD1 ASP A 56 -0.645 -3.730 9.309 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.820 -1.830 8.246 1.00 0.00 O ATOM 845 H ASP A 56 -2.690 -6.492 7.113 1.00 0.00 H ATOM 846 HA ASP A 56 -2.835 -4.581 9.368 1.00 0.00 H ATOM 847 HB2 ASP A 56 -1.678 -4.032 6.662 1.00 0.00 H ATOM 848 HB3 ASP A 56 -2.845 -2.831 7.214 1.00 0.00 H ATOM 849 N PRO A 57 -5.238 -5.429 8.639 1.00 0.00 N ATOM 850 CA PRO A 57 -6.676 -5.465 8.386 1.00 0.00 C ATOM 851 C PRO A 57 -7.299 -4.096 8.624 1.00 0.00 C ATOM 852 O PRO A 57 -8.283 -3.740 8.007 1.00 0.00 O ATOM 853 CB PRO A 57 -7.233 -6.486 9.400 1.00 0.00 C ATOM 854 CG PRO A 57 -6.021 -7.072 10.182 1.00 0.00 C ATOM 855 CD PRO A 57 -4.769 -6.305 9.728 1.00 0.00 C ATOM 856 HA PRO A 57 -6.861 -5.784 7.365 1.00 0.00 H ATOM 857 HB2 PRO A 57 -7.911 -5.995 10.082 1.00 0.00 H ATOM 858 HB3 PRO A 57 -7.754 -7.276 8.879 1.00 0.00 H ATOM 859 HG2 PRO A 57 -6.169 -6.941 11.244 1.00 0.00 H ATOM 860 HG3 PRO A 57 -5.911 -8.123 9.959 1.00 0.00 H ATOM 861 HD2 PRO A 57 -4.383 -5.716 10.545 1.00 0.00 H ATOM 862 HD3 PRO A 57 -4.015 -6.986 9.364 1.00 0.00 H ATOM 863 N GLN A 58 -6.709 -3.354 9.519 1.00 0.00 N ATOM 864 CA GLN A 58 -7.241 -2.011 9.816 1.00 0.00 C ATOM 865 C GLN A 58 -7.395 -1.215 8.529 1.00 0.00 C ATOM 866 O GLN A 58 -8.298 -0.414 8.391 1.00 0.00 O ATOM 867 CB GLN A 58 -6.253 -1.278 10.744 1.00 0.00 C ATOM 868 CG GLN A 58 -4.830 -1.796 10.499 1.00 0.00 C ATOM 869 CD GLN A 58 -4.580 -3.028 11.374 1.00 0.00 C ATOM 870 OE1 GLN A 58 -5.500 -3.649 11.867 1.00 0.00 O ATOM 871 NE2 GLN A 58 -3.352 -3.413 11.591 1.00 0.00 N ATOM 872 H GLN A 58 -5.927 -3.684 9.989 1.00 0.00 H ATOM 873 HA GLN A 58 -8.211 -2.117 10.288 1.00 0.00 H ATOM 874 HB2 GLN A 58 -6.291 -0.217 10.545 1.00 0.00 H ATOM 875 HB3 GLN A 58 -6.529 -1.452 11.774 1.00 0.00 H ATOM 876 HG2 GLN A 58 -4.705 -2.061 9.460 1.00 0.00 H ATOM 877 HG3 GLN A 58 -4.116 -1.031 10.758 1.00 0.00 H ATOM 878 HE21 GLN A 58 -2.606 -2.916 11.196 1.00 0.00 H ATOM 879 HE22 GLN A 58 -3.177 -4.200 12.148 1.00 0.00 H ATOM 880 N GLY A 59 -6.501 -1.454 7.607 1.00 0.00 N ATOM 881 CA GLY A 59 -6.569 -0.723 6.311 1.00 0.00 C ATOM 882 C GLY A 59 -5.416 -1.182 5.385 1.00 0.00 C ATOM 883 O GLY A 59 -4.368 -1.566 5.864 1.00 0.00 O ATOM 884 H GLY A 59 -5.791 -2.111 7.768 1.00 0.00 H ATOM 885 HA2 GLY A 59 -7.519 -0.925 5.861 1.00 0.00 H ATOM 886 HA3 GLY A 59 -6.480 0.338 6.494 1.00 0.00 H ATOM 887 N PRO A 60 -5.629 -1.152 4.067 1.00 0.00 N ATOM 888 CA PRO A 60 -4.585 -1.567 3.128 1.00 0.00 C ATOM 889 C PRO A 60 -3.397 -0.636 3.271 1.00 0.00 C ATOM 890 O PRO A 60 -3.480 0.531 2.937 1.00 0.00 O ATOM 891 CB PRO A 60 -5.210 -1.392 1.735 1.00 0.00 C ATOM 892 CG PRO A 60 -6.600 -0.733 1.928 1.00 0.00 C ATOM 893 CD PRO A 60 -6.886 -0.706 3.436 1.00 0.00 C ATOM 894 HA PRO A 60 -4.278 -2.615 3.315 1.00 0.00 H ATOM 895 HB2 PRO A 60 -4.582 -0.762 1.122 1.00 0.00 H ATOM 896 HB3 PRO A 60 -5.327 -2.350 1.265 1.00 0.00 H ATOM 897 HG2 PRO A 60 -6.591 0.273 1.535 1.00 0.00 H ATOM 898 HG3 PRO A 60 -7.352 -1.315 1.420 1.00 0.00 H ATOM 899 HD2 PRO A 60 -7.136 0.292 3.762 1.00 0.00 H ATOM 900 HD3 PRO A 60 -7.687 -1.392 3.669 1.00 0.00 H ATOM 901 N TRP A 61 -2.319 -1.189 3.738 1.00 0.00 N ATOM 902 CA TRP A 61 -1.068 -0.396 3.937 1.00 0.00 C ATOM 903 C TRP A 61 -0.348 -0.169 2.637 1.00 0.00 C ATOM 904 O TRP A 61 -0.625 -0.825 1.623 1.00 0.00 O ATOM 905 CB TRP A 61 -0.116 -1.210 4.791 1.00 0.00 C ATOM 906 CG TRP A 61 0.308 -2.323 3.892 1.00 0.00 C ATOM 907 CD1 TRP A 61 -0.496 -3.294 3.598 1.00 0.00 C ATOM 908 CD2 TRP A 61 1.404 -2.360 3.150 1.00 0.00 C ATOM 909 NE1 TRP A 61 0.121 -3.948 2.617 1.00 0.00 N ATOM 910 CE2 TRP A 61 1.333 -3.426 2.274 1.00 0.00 C ATOM 911 CE3 TRP A 61 2.519 -1.532 3.118 1.00 0.00 C ATOM 912 CZ2 TRP A 61 2.339 -3.671 1.383 1.00 0.00 C ATOM 913 CZ3 TRP A 61 3.536 -1.783 2.213 1.00 0.00 C ATOM 914 CH2 TRP A 61 3.444 -2.852 1.349 1.00 0.00 C ATOM 915 H TRP A 61 -2.329 -2.132 3.936 1.00 0.00 H ATOM 916 HA TRP A 61 -1.289 0.535 4.397 1.00 0.00 H ATOM 917 HB2 TRP A 61 0.730 -0.619 5.094 1.00 0.00 H ATOM 918 HB3 TRP A 61 -0.626 -1.607 5.657 1.00 0.00 H ATOM 919 HD1 TRP A 61 -1.434 -3.508 4.059 1.00 0.00 H ATOM 920 HE1 TRP A 61 -0.285 -4.692 2.143 1.00 0.00 H ATOM 921 HE3 TRP A 61 2.598 -0.691 3.799 1.00 0.00 H ATOM 922 HZ2 TRP A 61 2.262 -4.512 0.707 1.00 0.00 H ATOM 923 HZ3 TRP A 61 4.400 -1.139 2.177 1.00 0.00 H ATOM 924 HH2 TRP A 61 4.242 -3.048 0.652 1.00 0.00 H ATOM 925 N CYS A 62 0.595 0.734 2.707 1.00 0.00 N ATOM 926 CA CYS A 62 1.395 1.074 1.526 1.00 0.00 C ATOM 927 C CYS A 62 2.448 2.084 1.886 1.00 0.00 C ATOM 928 O CYS A 62 2.165 3.038 2.592 1.00 0.00 O ATOM 929 CB CYS A 62 0.479 1.710 0.510 1.00 0.00 C ATOM 930 SG CYS A 62 1.219 2.223 -1.067 1.00 0.00 S ATOM 931 H CYS A 62 0.764 1.195 3.557 1.00 0.00 H ATOM 932 HA CYS A 62 1.865 0.178 1.129 1.00 0.00 H ATOM 933 HB2 CYS A 62 -0.295 1.015 0.308 1.00 0.00 H ATOM 934 HB3 CYS A 62 0.028 2.575 0.963 1.00 0.00 H ATOM 935 N TYR A 63 3.645 1.873 1.409 1.00 0.00 N ATOM 936 CA TYR A 63 4.703 2.837 1.735 1.00 0.00 C ATOM 937 C TYR A 63 4.822 3.874 0.608 1.00 0.00 C ATOM 938 O TYR A 63 3.988 3.908 -0.272 1.00 0.00 O ATOM 939 CB TYR A 63 6.045 2.098 1.918 1.00 0.00 C ATOM 940 CG TYR A 63 6.196 1.635 3.365 1.00 0.00 C ATOM 941 CD1 TYR A 63 5.178 0.967 3.988 1.00 0.00 C ATOM 942 CD2 TYR A 63 7.361 1.885 4.066 1.00 0.00 C ATOM 943 CE1 TYR A 63 5.308 0.547 5.296 1.00 0.00 C ATOM 944 CE2 TYR A 63 7.495 1.468 5.373 1.00 0.00 C ATOM 945 CZ TYR A 63 6.469 0.795 5.999 1.00 0.00 C ATOM 946 OH TYR A 63 6.598 0.380 7.308 1.00 0.00 O ATOM 947 H TYR A 63 3.831 1.093 0.847 1.00 0.00 H ATOM 948 HA TYR A 63 4.422 3.320 2.622 1.00 0.00 H ATOM 949 HB2 TYR A 63 6.083 1.245 1.270 1.00 0.00 H ATOM 950 HB3 TYR A 63 6.853 2.763 1.692 1.00 0.00 H ATOM 951 HD1 TYR A 63 4.268 0.786 3.459 1.00 0.00 H ATOM 952 HD2 TYR A 63 8.173 2.412 3.587 1.00 0.00 H ATOM 953 HE1 TYR A 63 4.495 0.025 5.773 1.00 0.00 H ATOM 954 HE2 TYR A 63 8.411 1.669 5.909 1.00 0.00 H ATOM 955 HH TYR A 63 7.366 -0.193 7.363 1.00 0.00 H ATOM 956 N THR A 64 5.830 4.722 0.659 1.00 0.00 N ATOM 957 CA THR A 64 5.968 5.745 -0.437 1.00 0.00 C ATOM 958 C THR A 64 7.429 6.038 -0.762 1.00 0.00 C ATOM 959 O THR A 64 8.322 5.746 0.008 1.00 0.00 O ATOM 960 CB THR A 64 5.280 7.058 -0.068 1.00 0.00 C ATOM 961 OG1 THR A 64 6.322 7.922 0.364 1.00 0.00 O ATOM 962 CG2 THR A 64 4.317 6.894 1.128 1.00 0.00 C ATOM 963 H THR A 64 6.472 4.689 1.397 1.00 0.00 H ATOM 964 HA THR A 64 5.512 5.330 -1.334 1.00 0.00 H ATOM 965 HB THR A 64 4.786 7.486 -0.935 1.00 0.00 H ATOM 966 HG1 THR A 64 6.841 7.475 1.039 1.00 0.00 H ATOM 967 HG21 THR A 64 4.799 6.372 1.929 1.00 0.00 H ATOM 968 HG22 THR A 64 4.002 7.866 1.477 1.00 0.00 H ATOM 969 HG23 THR A 64 3.447 6.334 0.817 1.00 0.00 H ATOM 970 N THR A 65 7.623 6.603 -1.919 1.00 0.00 N ATOM 971 CA THR A 65 8.990 6.947 -2.386 1.00 0.00 C ATOM 972 C THR A 65 9.813 7.762 -1.403 1.00 0.00 C ATOM 973 O THR A 65 10.842 8.279 -1.791 1.00 0.00 O ATOM 974 CB THR A 65 8.859 7.767 -3.677 1.00 0.00 C ATOM 975 OG1 THR A 65 7.808 8.680 -3.431 1.00 0.00 O ATOM 976 CG2 THR A 65 8.351 6.907 -4.849 1.00 0.00 C ATOM 977 H THR A 65 6.853 6.804 -2.492 1.00 0.00 H ATOM 978 HA THR A 65 9.524 6.034 -2.581 1.00 0.00 H ATOM 979 HB THR A 65 9.779 8.296 -3.912 1.00 0.00 H ATOM 980 HG1 THR A 65 7.432 8.934 -4.277 1.00 0.00 H ATOM 981 HG21 THR A 65 8.419 5.862 -4.597 1.00 0.00 H ATOM 982 HG22 THR A 65 7.322 7.156 -5.062 1.00 0.00 H ATOM 983 HG23 THR A 65 8.951 7.099 -5.726 1.00 0.00 H ATOM 984 N ASP A 66 9.399 7.895 -0.166 1.00 0.00 N ATOM 985 CA ASP A 66 10.254 8.699 0.719 1.00 0.00 C ATOM 986 C ASP A 66 9.993 8.437 2.245 1.00 0.00 C ATOM 987 O ASP A 66 8.917 8.054 2.629 1.00 0.00 O ATOM 988 CB ASP A 66 9.889 10.130 0.415 1.00 0.00 C ATOM 989 CG ASP A 66 11.081 10.866 -0.209 1.00 0.00 C ATOM 990 OD1 ASP A 66 11.402 10.523 -1.334 1.00 0.00 O ATOM 991 OD2 ASP A 66 11.600 11.731 0.477 1.00 0.00 O ATOM 992 H ASP A 66 8.558 7.525 0.138 1.00 0.00 H ATOM 993 HA ASP A 66 11.279 8.494 0.460 1.00 0.00 H ATOM 994 HB2 ASP A 66 9.045 10.132 -0.262 1.00 0.00 H ATOM 995 HB3 ASP A 66 9.620 10.622 1.320 1.00 0.00 H ATOM 996 N PRO A 67 11.018 8.687 3.077 1.00 0.00 N ATOM 997 CA PRO A 67 10.945 8.496 4.550 1.00 0.00 C ATOM 998 C PRO A 67 9.816 9.300 5.233 1.00 0.00 C ATOM 999 O PRO A 67 8.804 8.736 5.598 1.00 0.00 O ATOM 1000 CB PRO A 67 12.316 8.995 5.071 1.00 0.00 C ATOM 1001 CG PRO A 67 13.070 9.602 3.857 1.00 0.00 C ATOM 1002 CD PRO A 67 12.310 9.165 2.600 1.00 0.00 C ATOM 1003 HA PRO A 67 10.819 7.453 4.769 1.00 0.00 H ATOM 1004 HB2 PRO A 67 12.182 9.742 5.836 1.00 0.00 H ATOM 1005 HB3 PRO A 67 12.879 8.166 5.474 1.00 0.00 H ATOM 1006 HG2 PRO A 67 13.081 10.679 3.929 1.00 0.00 H ATOM 1007 HG3 PRO A 67 14.084 9.229 3.826 1.00 0.00 H ATOM 1008 HD2 PRO A 67 12.159 9.969 1.935 1.00 0.00 H ATOM 1009 HD3 PRO A 67 12.843 8.373 2.106 1.00 0.00 H ATOM 1010 N GLU A 68 10.030 10.599 5.409 1.00 0.00 N ATOM 1011 CA GLU A 68 8.984 11.462 6.069 1.00 0.00 C ATOM 1012 C GLU A 68 7.583 10.987 5.725 1.00 0.00 C ATOM 1013 O GLU A 68 6.658 11.120 6.503 1.00 0.00 O ATOM 1014 CB GLU A 68 9.152 12.901 5.558 1.00 0.00 C ATOM 1015 CG GLU A 68 10.531 13.424 5.967 1.00 0.00 C ATOM 1016 CD GLU A 68 10.497 14.953 6.017 1.00 0.00 C ATOM 1017 OE1 GLU A 68 9.669 15.452 6.762 1.00 0.00 O ATOM 1018 OE2 GLU A 68 11.301 15.535 5.308 1.00 0.00 O ATOM 1019 H GLU A 68 10.872 10.999 5.108 1.00 0.00 H ATOM 1020 HA GLU A 68 9.117 11.417 7.148 1.00 0.00 H ATOM 1021 HB2 GLU A 68 9.063 12.917 4.482 1.00 0.00 H ATOM 1022 HB3 GLU A 68 8.385 13.530 5.986 1.00 0.00 H ATOM 1023 HG2 GLU A 68 10.794 13.041 6.942 1.00 0.00 H ATOM 1024 HG3 GLU A 68 11.271 13.107 5.247 1.00 0.00 H ATOM 1025 N LYS A 69 7.472 10.445 4.563 1.00 0.00 N ATOM 1026 CA LYS A 69 6.176 9.932 4.083 1.00 0.00 C ATOM 1027 C LYS A 69 6.383 8.516 3.643 1.00 0.00 C ATOM 1028 O LYS A 69 6.060 8.168 2.559 1.00 0.00 O ATOM 1029 CB LYS A 69 5.772 10.744 2.855 1.00 0.00 C ATOM 1030 CG LYS A 69 6.969 10.804 1.876 1.00 0.00 C ATOM 1031 CD LYS A 69 6.559 11.605 0.632 1.00 0.00 C ATOM 1032 CE LYS A 69 6.012 10.655 -0.439 1.00 0.00 C ATOM 1033 NZ LYS A 69 4.817 9.928 0.072 1.00 0.00 N ATOM 1034 H LYS A 69 8.261 10.367 3.992 1.00 0.00 H ATOM 1035 HA LYS A 69 5.423 9.980 4.869 1.00 0.00 H ATOM 1036 HB2 LYS A 69 4.929 10.278 2.381 1.00 0.00 H ATOM 1037 HB3 LYS A 69 5.500 11.745 3.157 1.00 0.00 H ATOM 1038 HG2 LYS A 69 7.785 11.306 2.363 1.00 0.00 H ATOM 1039 HG3 LYS A 69 7.279 9.817 1.586 1.00 0.00 H ATOM 1040 HD2 LYS A 69 5.799 12.324 0.899 1.00 0.00 H ATOM 1041 HD3 LYS A 69 7.419 12.131 0.242 1.00 0.00 H ATOM 1042 HE2 LYS A 69 5.730 11.222 -1.313 1.00 0.00 H ATOM 1043 HE3 LYS A 69 6.770 9.941 -0.714 1.00 0.00 H ATOM 1044 HZ1 LYS A 69 4.248 10.573 0.652 1.00 0.00 H ATOM 1045 HZ2 LYS A 69 4.248 9.587 -0.729 1.00 0.00 H ATOM 1046 HZ3 LYS A 69 5.118 9.125 0.650 1.00 0.00 H ATOM 1047 N ARG A 70 6.897 7.717 4.498 1.00 0.00 N ATOM 1048 CA ARG A 70 7.124 6.320 4.102 1.00 0.00 C ATOM 1049 C ARG A 70 5.900 5.477 4.077 1.00 0.00 C ATOM 1050 O ARG A 70 5.879 4.555 3.328 1.00 0.00 O ATOM 1051 CB ARG A 70 8.079 5.688 5.081 1.00 0.00 C ATOM 1052 CG ARG A 70 7.343 5.399 6.375 1.00 0.00 C ATOM 1053 CD ARG A 70 8.400 5.088 7.423 1.00 0.00 C ATOM 1054 NE ARG A 70 7.866 4.073 8.375 1.00 0.00 N ATOM 1055 CZ ARG A 70 8.652 3.123 8.803 1.00 0.00 C ATOM 1056 NH1 ARG A 70 9.414 2.501 7.945 1.00 0.00 N ATOM 1057 NH2 ARG A 70 8.650 2.827 10.074 1.00 0.00 N ATOM 1058 H ARG A 70 7.140 8.031 5.386 1.00 0.00 H ATOM 1059 HA ARG A 70 7.554 6.305 3.112 1.00 0.00 H ATOM 1060 HB2 ARG A 70 8.468 4.769 4.670 1.00 0.00 H ATOM 1061 HB3 ARG A 70 8.890 6.359 5.276 1.00 0.00 H ATOM 1062 HG2 ARG A 70 6.755 6.268 6.662 1.00 0.00 H ATOM 1063 HG3 ARG A 70 6.684 4.545 6.255 1.00 0.00 H ATOM 1064 HD2 ARG A 70 9.287 4.691 6.927 1.00 0.00 H ATOM 1065 HD3 ARG A 70 8.661 5.986 7.959 1.00 0.00 H ATOM 1066 HE ARG A 70 6.935 4.118 8.676 1.00 0.00 H ATOM 1067 HH11 ARG A 70 9.390 2.755 6.978 1.00 0.00 H ATOM 1068 HH12 ARG A 70 10.023 1.770 8.255 1.00 0.00 H ATOM 1069 HH21 ARG A 70 8.053 3.325 10.703 1.00 0.00 H ATOM 1070 HH22 ARG A 70 9.246 2.102 10.420 1.00 0.00 H ATOM 1071 N TYR A 71 4.896 5.757 4.877 1.00 0.00 N ATOM 1072 CA TYR A 71 3.715 4.863 4.790 1.00 0.00 C ATOM 1073 C TYR A 71 2.487 5.296 5.538 1.00 0.00 C ATOM 1074 O TYR A 71 2.429 6.312 6.202 1.00 0.00 O ATOM 1075 CB TYR A 71 4.090 3.460 5.309 1.00 0.00 C ATOM 1076 CG TYR A 71 3.842 3.393 6.824 1.00 0.00 C ATOM 1077 CD1 TYR A 71 4.226 4.434 7.650 1.00 0.00 C ATOM 1078 CD2 TYR A 71 3.237 2.286 7.385 1.00 0.00 C ATOM 1079 CE1 TYR A 71 4.008 4.365 9.011 1.00 0.00 C ATOM 1080 CE2 TYR A 71 3.020 2.220 8.747 1.00 0.00 C ATOM 1081 CZ TYR A 71 3.404 3.258 9.569 1.00 0.00 C ATOM 1082 OH TYR A 71 3.188 3.190 10.931 1.00 0.00 O ATOM 1083 H TYR A 71 4.915 6.518 5.469 1.00 0.00 H ATOM 1084 HA TYR A 71 3.438 4.809 3.765 1.00 0.00 H ATOM 1085 HB2 TYR A 71 3.475 2.706 4.815 1.00 0.00 H ATOM 1086 HB3 TYR A 71 5.124 3.257 5.116 1.00 0.00 H ATOM 1087 HD1 TYR A 71 4.695 5.307 7.228 1.00 0.00 H ATOM 1088 HD2 TYR A 71 2.929 1.467 6.753 1.00 0.00 H ATOM 1089 HE1 TYR A 71 4.314 5.185 9.644 1.00 0.00 H ATOM 1090 HE2 TYR A 71 2.546 1.347 9.171 1.00 0.00 H ATOM 1091 HH TYR A 71 2.243 3.109 11.078 1.00 0.00 H ATOM 1092 N ASP A 72 1.531 4.428 5.378 1.00 0.00 N ATOM 1093 CA ASP A 72 0.185 4.559 5.983 1.00 0.00 C ATOM 1094 C ASP A 72 -0.788 3.788 5.044 1.00 0.00 C ATOM 1095 O ASP A 72 -0.335 3.201 4.078 1.00 0.00 O ATOM 1096 CB ASP A 72 -0.174 6.069 6.070 1.00 0.00 C ATOM 1097 CG ASP A 72 -1.665 6.255 5.940 1.00 0.00 C ATOM 1098 OD1 ASP A 72 -2.111 6.133 4.822 1.00 0.00 O ATOM 1099 OD2 ASP A 72 -2.277 6.508 6.965 1.00 0.00 O ATOM 1100 H ASP A 72 1.725 3.638 4.829 1.00 0.00 H ATOM 1101 HA ASP A 72 0.188 4.085 6.968 1.00 0.00 H ATOM 1102 HB2 ASP A 72 0.151 6.466 7.020 1.00 0.00 H ATOM 1103 HB3 ASP A 72 0.309 6.613 5.277 1.00 0.00 H ATOM 1104 N TYR A 73 -2.076 3.773 5.307 1.00 0.00 N ATOM 1105 CA TYR A 73 -2.970 3.013 4.366 1.00 0.00 C ATOM 1106 C TYR A 73 -3.176 3.732 3.086 1.00 0.00 C ATOM 1107 O TYR A 73 -2.383 4.526 2.714 1.00 0.00 O ATOM 1108 CB TYR A 73 -4.330 2.769 5.013 1.00 0.00 C ATOM 1109 CG TYR A 73 -4.065 2.257 6.385 1.00 0.00 C ATOM 1110 CD1 TYR A 73 -3.441 1.051 6.544 1.00 0.00 C ATOM 1111 CD2 TYR A 73 -4.352 3.023 7.486 1.00 0.00 C ATOM 1112 CE1 TYR A 73 -3.098 0.615 7.781 1.00 0.00 C ATOM 1113 CE2 TYR A 73 -4.007 2.585 8.726 1.00 0.00 C ATOM 1114 CZ TYR A 73 -3.376 1.377 8.879 1.00 0.00 C ATOM 1115 OH TYR A 73 -3.017 0.940 10.136 1.00 0.00 O ATOM 1116 H TYR A 73 -2.441 4.241 6.087 1.00 0.00 H ATOM 1117 HA TYR A 73 -2.504 2.106 4.147 1.00 0.00 H ATOM 1118 HB2 TYR A 73 -4.895 3.681 5.060 1.00 0.00 H ATOM 1119 HB3 TYR A 73 -4.879 2.027 4.450 1.00 0.00 H ATOM 1120 HD1 TYR A 73 -3.219 0.447 5.682 1.00 0.00 H ATOM 1121 HD2 TYR A 73 -4.851 3.973 7.370 1.00 0.00 H ATOM 1122 HE1 TYR A 73 -2.604 -0.337 7.898 1.00 0.00 H ATOM 1123 HE2 TYR A 73 -4.231 3.190 9.592 1.00 0.00 H ATOM 1124 HH TYR A 73 -3.287 1.607 10.771 1.00 0.00 H ATOM 1125 N CYS A 74 -4.215 3.363 2.399 1.00 0.00 N ATOM 1126 CA CYS A 74 -4.518 4.029 1.094 1.00 0.00 C ATOM 1127 C CYS A 74 -5.840 4.750 1.165 1.00 0.00 C ATOM 1128 O CYS A 74 -6.712 4.374 1.922 1.00 0.00 O ATOM 1129 CB CYS A 74 -4.615 2.978 0.003 1.00 0.00 C ATOM 1130 SG CYS A 74 -3.689 3.282 -1.531 1.00 0.00 S ATOM 1131 H CYS A 74 -4.768 2.614 2.721 1.00 0.00 H ATOM 1132 HA CYS A 74 -3.744 4.749 0.872 1.00 0.00 H ATOM 1133 HB2 CYS A 74 -4.293 2.056 0.415 1.00 0.00 H ATOM 1134 HB3 CYS A 74 -5.655 2.869 -0.263 1.00 0.00 H ATOM 1135 N ASP A 75 -5.977 5.777 0.381 1.00 0.00 N ATOM 1136 CA ASP A 75 -7.240 6.516 0.408 1.00 0.00 C ATOM 1137 C ASP A 75 -8.314 5.778 -0.405 1.00 0.00 C ATOM 1138 O ASP A 75 -8.960 6.342 -1.265 1.00 0.00 O ATOM 1139 CB ASP A 75 -6.987 7.955 -0.139 1.00 0.00 C ATOM 1140 CG ASP A 75 -8.325 8.676 -0.323 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -9.182 8.448 0.515 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -8.414 9.413 -1.291 1.00 0.00 O ATOM 1143 H ASP A 75 -5.253 6.052 -0.210 1.00 0.00 H ATOM 1144 HA ASP A 75 -7.571 6.556 1.421 1.00 0.00 H ATOM 1145 HB2 ASP A 75 -6.368 8.526 0.574 1.00 0.00 H ATOM 1146 HB3 ASP A 75 -6.475 7.906 -1.085 1.00 0.00 H ATOM 1147 N ILE A 76 -8.472 4.496 -0.095 1.00 0.00 N ATOM 1148 CA ILE A 76 -9.481 3.665 -0.803 1.00 0.00 C ATOM 1149 C ILE A 76 -10.858 3.936 -0.206 1.00 0.00 C ATOM 1150 O ILE A 76 -10.999 4.029 0.998 1.00 0.00 O ATOM 1151 CB ILE A 76 -9.111 2.183 -0.598 1.00 0.00 C ATOM 1152 CG1 ILE A 76 -8.238 1.699 -1.756 1.00 0.00 C ATOM 1153 CG2 ILE A 76 -10.395 1.326 -0.593 1.00 0.00 C ATOM 1154 CD1 ILE A 76 -7.612 0.352 -1.402 1.00 0.00 C ATOM 1155 H ILE A 76 -7.923 4.093 0.605 1.00 0.00 H ATOM 1156 HA ILE A 76 -9.487 3.914 -1.851 1.00 0.00 H ATOM 1157 HB ILE A 76 -8.566 2.083 0.340 1.00 0.00 H ATOM 1158 HG12 ILE A 76 -8.844 1.593 -2.642 1.00 0.00 H ATOM 1159 HG13 ILE A 76 -7.457 2.408 -1.952 1.00 0.00 H ATOM 1160 HG21 ILE A 76 -11.072 1.673 -1.357 1.00 0.00 H ATOM 1161 HG22 ILE A 76 -10.145 0.293 -0.797 1.00 0.00 H ATOM 1162 HG23 ILE A 76 -10.873 1.393 0.372 1.00 0.00 H ATOM 1163 HD11 ILE A 76 -7.882 0.064 -0.407 1.00 0.00 H ATOM 1164 HD12 ILE A 76 -7.952 -0.396 -2.091 1.00 0.00 H ATOM 1165 HD13 ILE A 76 -6.540 0.429 -1.468 1.00 0.00 H ATOM 1166 N LEU A 77 -11.846 4.064 -1.052 1.00 0.00 N ATOM 1167 CA LEU A 77 -13.218 4.330 -0.537 1.00 0.00 C ATOM 1168 C LEU A 77 -13.508 3.460 0.680 1.00 0.00 C ATOM 1169 O LEU A 77 -12.992 2.369 0.794 1.00 0.00 O ATOM 1170 CB LEU A 77 -14.233 3.974 -1.647 1.00 0.00 C ATOM 1171 CG LEU A 77 -14.712 5.240 -2.400 1.00 0.00 C ATOM 1172 CD1 LEU A 77 -15.760 5.983 -1.554 1.00 0.00 C ATOM 1173 CD2 LEU A 77 -13.525 6.174 -2.699 1.00 0.00 C ATOM 1174 H LEU A 77 -11.685 3.985 -2.015 1.00 0.00 H ATOM 1175 HA LEU A 77 -13.292 5.369 -0.249 1.00 0.00 H ATOM 1176 HB2 LEU A 77 -13.769 3.297 -2.348 1.00 0.00 H ATOM 1177 HB3 LEU A 77 -15.086 3.481 -1.204 1.00 0.00 H ATOM 1178 HG LEU A 77 -15.165 4.941 -3.334 1.00 0.00 H ATOM 1179 HD11 LEU A 77 -16.559 5.307 -1.290 1.00 0.00 H ATOM 1180 HD12 LEU A 77 -15.311 6.366 -0.653 1.00 0.00 H ATOM 1181 HD13 LEU A 77 -16.167 6.806 -2.123 1.00 0.00 H ATOM 1182 HD21 LEU A 77 -12.608 5.608 -2.716 1.00 0.00 H ATOM 1183 HD22 LEU A 77 -13.668 6.641 -3.662 1.00 0.00 H ATOM 1184 HD23 LEU A 77 -13.458 6.941 -1.943 1.00 0.00 H ATOM 1185 N GLU A 78 -14.327 3.964 1.570 1.00 0.00 N ATOM 1186 CA GLU A 78 -14.660 3.175 2.787 1.00 0.00 C ATOM 1187 C GLU A 78 -15.153 1.792 2.412 1.00 0.00 C ATOM 1188 O GLU A 78 -15.048 1.380 1.274 1.00 0.00 O ATOM 1189 CB GLU A 78 -15.765 3.908 3.559 1.00 0.00 C ATOM 1190 CG GLU A 78 -15.444 3.868 5.055 1.00 0.00 C ATOM 1191 CD GLU A 78 -14.230 4.755 5.336 1.00 0.00 C ATOM 1192 OE1 GLU A 78 -14.424 5.959 5.321 1.00 0.00 O ATOM 1193 OE2 GLU A 78 -13.176 4.178 5.551 1.00 0.00 O ATOM 1194 H GLU A 78 -14.716 4.853 1.435 1.00 0.00 H ATOM 1195 HA GLU A 78 -13.761 3.065 3.400 1.00 0.00 H ATOM 1196 HB2 GLU A 78 -15.819 4.935 3.227 1.00 0.00 H ATOM 1197 HB3 GLU A 78 -16.715 3.427 3.378 1.00 0.00 H ATOM 1198 HG2 GLU A 78 -16.290 4.231 5.620 1.00 0.00 H ATOM 1199 HG3 GLU A 78 -15.223 2.854 5.354 1.00 0.00 H ATOM 1200 N CYS A 79 -15.697 1.094 3.363 1.00 0.00 N ATOM 1201 CA CYS A 79 -16.188 -0.257 3.044 1.00 0.00 C ATOM 1202 C CYS A 79 -17.294 -0.684 4.005 1.00 0.00 C ATOM 1203 O CYS A 79 -17.034 -0.612 5.195 1.00 0.00 O ATOM 1204 CB CYS A 79 -14.991 -1.192 3.203 1.00 0.00 C ATOM 1205 SG CYS A 79 -13.416 -0.585 2.570 1.00 0.00 S ATOM 1206 OXT CYS A 79 -18.338 -1.059 3.497 1.00 0.00 O ATOM 1207 H CYS A 79 -15.779 1.458 4.270 1.00 0.00 H ATOM 1208 HA CYS A 79 -16.565 -0.274 2.025 1.00 0.00 H ATOM 1209 HB2 CYS A 79 -14.861 -1.409 4.250 1.00 0.00 H ATOM 1210 HB3 CYS A 79 -15.210 -2.118 2.698 1.00 0.00 H TER 1211 CYS A 79 HETATM 1212 C1 ACA A 80 6.804 -2.108 5.750 1.00 0.00 C HETATM 1213 O1 ACA A 80 7.883 -1.914 5.215 1.00 0.00 O HETATM 1214 O2 ACA A 80 6.524 -1.955 6.926 1.00 0.00 O HETATM 1215 C2 ACA A 80 5.674 -2.597 4.841 1.00 0.00 C HETATM 1216 C3 ACA A 80 4.475 -3.013 5.693 1.00 0.00 C HETATM 1217 C4 ACA A 80 4.840 -4.259 6.505 1.00 0.00 C HETATM 1218 C5 ACA A 80 4.524 -4.011 7.985 1.00 0.00 C HETATM 1219 C6 ACA A 80 3.034 -3.693 8.141 1.00 0.00 C HETATM 1220 N6 ACA A 80 2.424 -4.550 9.196 1.00 0.00 N HETATM 1221 H21 ACA A 80 6.022 -3.440 4.263 1.00 0.00 H HETATM 1222 H22 ACA A 80 5.385 -1.802 4.173 1.00 0.00 H HETATM 1223 H31 ACA A 80 3.634 -3.233 5.050 1.00 0.00 H HETATM 1224 H32 ACA A 80 4.210 -2.210 6.361 1.00 0.00 H HETATM 1225 H41 ACA A 80 5.892 -4.471 6.390 1.00 0.00 H HETATM 1226 H42 ACA A 80 4.269 -5.102 6.149 1.00 0.00 H HETATM 1227 H51 ACA A 80 5.111 -3.181 8.348 1.00 0.00 H HETATM 1228 H52 ACA A 80 4.768 -4.893 8.560 1.00 0.00 H HETATM 1229 H61 ACA A 80 2.526 -3.869 7.205 1.00 0.00 H HETATM 1230 H62 ACA A 80 2.913 -2.656 8.417 1.00 0.00 H HETATM 1231 HN61 ACA A 80 2.321 -4.000 10.072 1.00 0.00 H HETATM 1232 HN62 ACA A 80 3.037 -5.371 9.373 1.00 0.00 H HETATM 1233 HN63 ACA A 80 1.490 -4.878 8.880 1.00 0.00 H CONECT 6 1205 CONECT 324 930 CONECT 754 1130 CONECT 930 324 CONECT 1130 754 CONECT 1205 6 CONECT 1212 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 1216 1221 1222 CONECT 1216 1215 1217 1223 1224 CONECT 1217 1216 1218 1225 1226 CONECT 1218 1217 1219 1227 1228 CONECT 1219 1218 1220 1229 1230 CONECT 1220 1219 1231 1232 CONECT 1221 1215 CONECT 1222 1215 CONECT 1223 1216 CONECT 1224 1216 CONECT 1225 1217 CONECT 1226 1217 CONECT 1227 1218 CONECT 1228 1218 CONECT 1229 1219 CONECT 1230 1219 CONECT 1231 1220 CONECT 1232 1220 MASTER 174 0 1 1 4 8 5 6 1232 1 27 7 END