Browse entries in the PDBbind-CN Database
HEADER TOXIN/DNA 01-APR-06 2GKD TITLE STRUCTURAL INSIGHT INTO SELF-SACRIFICE MECHANISM OF TITLE 2 ENEDIYNE RESISTANCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALC; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3'; COMPND 11 CHAIN: C; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; SOURCE 3 ORGANISM_TAXID: 1877; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 MOL_ID: 2; SOURCE 7 SYNTHETIC: YES; SOURCE 8 MOL_ID: 3; SOURCE 9 SYNTHETIC: YES KEYWDS START DOMAIN PROTEIN, TOXIN/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR S.SINGH,J.S.THORSON REVDAT 3 31-MAR-09 2GKD 1 REMARK REVDAT 2 24-FEB-09 2GKD 1 VERSN REVDAT 1 22-AUG-06 2GKD 0 JRNL AUTH S.SINGH,M.H.HAGER,C.ZHANG,B.R.GRIFFITH,M.S.LEE, JRNL AUTH 2 K.HALLENGA,J.L.MARKLEY,J.S.THORSON JRNL TITL STRUCTURAL INSIGHT INTO THE SELF-SACRIFICE JRNL TITL 2 MECHANISM OF ENEDIYNE RESISTANCE. JRNL REF ACS CHEM.BIOL. V. 1 451 2006 JRNL REFN ISSN 1554-8929 JRNL PMID 17168523 JRNL DOI 10.1021/CB6002898 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2, HADDOCK 1.1 REMARK 3 AUTHORS : BRUNGER A.T. (CNS), BONVIN, AMJJ (HADDOCK) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2GKD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAY-06. REMARK 100 THE RCSB ID CODE IS RCSB037226. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : U-15N, CALC, 50MM PHOSPHATE REMARK 210 BUFFER, 150 MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING, REMARK 210 MOLECULAR DYNAMICS, DOCKING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NMR CHEMICAL SHIFT PERTURBATION INFORMATION WAS USED REMARK 210 FOR DOCKING. 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 DA B 10 O3' DA B 10 C3' -0.047 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 DT B 4 O4' - C4' - C3' ANGL. DEV. = -2.4 DEGREES REMARK 500 DA B 5 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 DA B 5 O3' - P - OP2 ANGL. DEV. = -16.8 DEGREES REMARK 500 DA B 5 O3' - P - OP1 ANGL. DEV. = 20.8 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 10 O4' - C1' - C2' ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 11 O5' - P - OP1 ANGL. DEV. = -5.9 DEGREES REMARK 500 DT C 15 O3' - P - OP1 ANGL. DEV. = 11.6 DEGREES REMARK 500 DA C 17 N1 - C6 - N6 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA C 17 C5 - C6 - N6 ANGL. DEV. = -5.4 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 ASP A 15 165.55 141.65 REMARK 500 TRP A 31 21.19 -142.00 REMARK 500 PHE A 35 46.77 -74.51 REMARK 500 LYS A 39 -146.37 -146.02 REMARK 500 PRO A 43 66.69 -69.40 REMARK 500 LEU A 44 -85.71 -174.77 REMARK 500 HIS A 63 133.60 -31.41 REMARK 500 ASP A 72 63.50 -101.64 REMARK 500 GLU A 73 -170.39 48.27 REMARK 500 PRO A 74 84.12 -60.36 REMARK 500 ASP A 75 -70.00 -172.86 REMARK 500 ARG A 82 149.58 -177.78 REMARK 500 LEU A 83 -159.99 -138.86 REMARK 500 PHE A 86 -152.54 -130.87 REMARK 500 PRO A 91 41.57 -67.41 REMARK 500 SER A 94 -48.44 68.12 REMARK 500 SER A 95 87.25 29.33 REMARK 500 GLN A 106 19.60 58.09 REMARK 500 LYS A 107 14.17 -142.40 REMARK 500 HIS A 117 -69.45 -175.12 REMARK 500 MET A 121 4.56 -60.90 REMARK 500 THR A 123 -93.19 82.37 REMARK 500 ALA A 153 -53.55 -172.56 REMARK 500 LYS A 154 -64.92 -91.52 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 DA B 10 0.15 SIDE_CHAIN REMARK 500 DA C 17 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: GO.79751 RELATED DB: TARGETDB REMARK 900 RELATED ID: 1ZXF RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF CALC REMARK 900 RELATED ID: 2GKC RELATED DB: PDB REMARK 900 STRUCTURE OF CALC-CALICHEAMICIN DBREF 2GKD A 1 155 UNP Q8KNF0 Q8KNF0_MICEC 27 181 DBREF 2GKD B 1 11 PDB 2GKD 2GKD 1 11 DBREF 2GKD C 12 22 PDB 2GKD 2GKD 12 22 SEQRES 1 A 155 ASN TYR ASP PRO PHE VAL ARG HIS SER VAL THR VAL LYS SEQRES 2 A 155 ALA ASP ARG LYS THR ALA PHE LYS THR PHE LEU GLU GLY SEQRES 3 A 155 PHE PRO GLU TRP TRP PRO ASN ASN PHE ARG THR THR LYS SEQRES 4 A 155 VAL GLY ALA PRO LEU GLY VAL ASP LYS LYS GLY GLY ARG SEQRES 5 A 155 TRP TYR GLU ILE ASP GLU GLN GLY GLU GLU HIS THR PHE SEQRES 6 A 155 GLY LEU ILE ARG LYS VAL ASP GLU PRO ASP THR LEU VAL SEQRES 7 A 155 ILE GLY TRP ARG LEU ASN GLY PHE GLY ARG ILE ASP PRO SEQRES 8 A 155 ASP ASN SER SER GLU PHE THR VAL THR PHE VAL ALA ASP SEQRES 9 A 155 GLY GLN LYS LYS THR ARG VAL ASP VAL GLU HIS THR HIS SEQRES 10 A 155 PHE ASP ARG MET GLY THR LYS HIS ALA LYS ARG VAL ARG SEQRES 11 A 155 ASN GLY MET ASP LYS GLY TRP PRO THR ILE LEU GLN SER SEQRES 12 A 155 PHE GLN ASP LYS ILE ASP GLU GLU GLY ALA LYS LYS SEQRES 1 B 11 DG DC DA DT DA DT DG DA DT DA DG SEQRES 1 C 11 DC DT DA DT DC DA DT DA DT DG DC HELIX 1 1 ASP A 15 GLU A 25 1 11 HELIX 2 2 GLY A 26 TRP A 30 5 5 HELIX 3 3 PHE A 118 GLY A 122 5 5 HELIX 4 4 THR A 123 ARG A 130 1 8 HELIX 5 5 GLY A 136 GLY A 152 1 17 SHEET 1 A 6 VAL A 6 VAL A 12 0 SHEET 2 A 6 LYS A 108 HIS A 115 -1 O THR A 109 N VAL A 12 SHEET 3 A 6 PHE A 97 ASP A 104 -1 N ASP A 104 O LYS A 108 SHEET 4 A 6 THR A 76 GLY A 80 -1 N LEU A 77 O VAL A 99 SHEET 5 A 6 GLY A 60 ASP A 72 -1 N ARG A 69 O VAL A 78 SHEET 6 A 6 ARG A 52 ASP A 57 -1 N TRP A 53 O GLY A 66 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ASN A 1 5.720 -12.460 7.654 1.00 1.60 N ATOM 2 CA ASN A 1 6.073 -12.582 6.217 1.00 1.07 C ATOM 3 C ASN A 1 7.353 -11.806 5.928 1.00 1.17 C ATOM 4 O ASN A 1 8.046 -11.409 6.858 1.00 1.79 O ATOM 5 CB ASN A 1 4.934 -12.060 5.325 1.00 0.99 C ATOM 6 CG ASN A 1 4.695 -10.568 5.467 1.00 1.10 C ATOM 7 OD1 ASN A 1 4.813 -10.012 6.554 1.00 1.63 O ATOM 8 ND2 ASN A 1 4.377 -9.907 4.357 1.00 1.08 N ATOM 9 H1 ASN A 1 6.483 -12.851 8.247 1.00 1.91 H ATOM 10 H2 ASN A 1 4.846 -12.990 7.856 1.00 2.11 H ATOM 11 H3 ASN A 1 5.571 -11.462 7.917 1.00 1.99 H ATOM 12 HA ASN A 1 6.245 -13.626 5.999 1.00 1.25 H ATOM 13 HB2 ASN A 1 5.152 -12.278 4.309 1.00 1.33 H ATOM 14 HB3 ASN A 1 4.022 -12.570 5.599 1.00 1.38 H ATOM 15 HD21 ASN A 1 4.313 -10.385 3.531 1.00 1.13 H ATOM 16 HD22 ASN A 1 4.221 -8.943 4.431 1.00 1.34 H ATOM 17 N TYR A 2 7.687 -11.680 4.635 1.00 1.10 N ATOM 18 CA TYR A 2 8.781 -10.827 4.125 1.00 1.39 C ATOM 19 C TYR A 2 10.139 -11.302 4.617 1.00 1.58 C ATOM 20 O TYR A 2 11.139 -10.602 4.503 1.00 2.19 O ATOM 21 CB TYR A 2 8.574 -9.311 4.389 1.00 1.73 C ATOM 22 CG TYR A 2 8.543 -8.855 5.839 1.00 2.27 C ATOM 23 CD1 TYR A 2 9.698 -8.875 6.613 1.00 2.72 C ATOM 24 CD2 TYR A 2 7.365 -8.421 6.440 1.00 3.08 C ATOM 25 CE1 TYR A 2 9.684 -8.472 7.934 1.00 3.62 C ATOM 26 CE2 TYR A 2 7.344 -8.019 7.763 1.00 4.05 C ATOM 27 CZ TYR A 2 8.471 -7.997 8.487 1.00 4.21 C ATOM 28 OH TYR A 2 8.491 -7.644 9.821 1.00 5.30 O ATOM 29 H TYR A 2 7.201 -12.199 3.975 1.00 1.25 H ATOM 30 HA TYR A 2 8.780 -10.968 3.052 1.00 1.41 H ATOM 31 HB2 TYR A 2 9.372 -8.769 3.904 1.00 2.00 H ATOM 32 HB3 TYR A 2 7.640 -9.017 3.925 1.00 2.17 H ATOM 33 HD1 TYR A 2 10.619 -9.221 6.188 1.00 2.79 H ATOM 34 HD2 TYR A 2 6.457 -8.392 5.856 1.00 3.28 H ATOM 35 HE1 TYR A 2 10.597 -8.458 8.511 1.00 4.14 H ATOM 36 HE2 TYR A 2 6.414 -7.688 8.202 1.00 4.88 H ATOM 37 HH TYR A 2 8.056 -8.321 10.347 1.00 5.55 H ATOM 38 N ASP A 3 10.154 -12.505 5.147 1.00 1.58 N ATOM 39 CA ASP A 3 11.386 -13.202 5.462 1.00 1.84 C ATOM 40 C ASP A 3 11.445 -14.500 4.650 1.00 1.62 C ATOM 41 O ASP A 3 12.469 -14.807 4.045 1.00 1.73 O ATOM 42 CB ASP A 3 11.498 -13.468 6.969 1.00 2.20 C ATOM 43 CG ASP A 3 12.768 -14.209 7.344 1.00 2.86 C ATOM 44 OD1 ASP A 3 13.865 -13.658 7.110 1.00 3.31 O ATOM 45 OD2 ASP A 3 12.676 -15.350 7.845 1.00 3.26 O ATOM 46 H ASP A 3 9.334 -12.940 5.367 1.00 1.79 H ATOM 47 HA ASP A 3 12.218 -12.605 5.151 1.00 2.08 H ATOM 48 HB2 ASP A 3 11.512 -12.517 7.481 1.00 2.39 H ATOM 49 HB3 ASP A 3 10.659 -14.027 7.321 1.00 2.20 H ATOM 50 N PRO A 4 10.348 -15.298 4.623 1.00 1.51 N ATOM 51 CA PRO A 4 10.220 -16.404 3.687 1.00 1.44 C ATOM 52 C PRO A 4 9.419 -16.043 2.423 1.00 1.18 C ATOM 53 O PRO A 4 9.822 -16.364 1.308 1.00 1.20 O ATOM 54 CB PRO A 4 9.486 -17.468 4.513 1.00 1.74 C ATOM 55 CG PRO A 4 8.802 -16.732 5.634 1.00 1.85 C ATOM 56 CD PRO A 4 9.210 -15.279 5.550 1.00 1.69 C ATOM 57 HA PRO A 4 11.184 -16.796 3.388 1.00 1.55 H ATOM 58 HB2 PRO A 4 8.779 -18.006 3.903 1.00 1.78 H ATOM 59 HB3 PRO A 4 10.212 -18.166 4.904 1.00 1.96 H ATOM 60 HG2 PRO A 4 7.732 -16.820 5.524 1.00 1.91 H ATOM 61 HG3 PRO A 4 9.111 -17.149 6.581 1.00 2.14 H ATOM 62 HD2 PRO A 4 8.395 -14.685 5.172 1.00 1.70 H ATOM 63 HD3 PRO A 4 9.487 -14.942 6.519 1.00 1.90 H ATOM 64 N PHE A 5 8.277 -15.401 2.616 1.00 1.05 N ATOM 65 CA PHE A 5 7.409 -14.986 1.517 1.00 0.90 C ATOM 66 C PHE A 5 6.608 -13.776 1.963 1.00 0.77 C ATOM 67 O PHE A 5 6.486 -13.538 3.165 1.00 0.87 O ATOM 68 CB PHE A 5 6.463 -16.128 1.115 1.00 1.12 C ATOM 69 CG PHE A 5 5.477 -16.510 2.189 1.00 1.31 C ATOM 70 CD1 PHE A 5 5.850 -17.358 3.223 1.00 1.51 C ATOM 71 CD2 PHE A 5 4.177 -16.025 2.164 1.00 2.04 C ATOM 72 CE1 PHE A 5 4.948 -17.713 4.205 1.00 2.22 C ATOM 73 CE2 PHE A 5 3.271 -16.379 3.147 1.00 2.98 C ATOM 74 CZ PHE A 5 3.655 -17.197 4.176 1.00 3.02 C ATOM 75 H PHE A 5 7.960 -15.245 3.512 1.00 1.17 H ATOM 76 HA PHE A 5 8.020 -14.707 0.667 1.00 0.87 H ATOM 77 HB2 PHE A 5 5.912 -15.830 0.233 1.00 1.70 H ATOM 78 HB3 PHE A 5 7.056 -17.002 0.875 1.00 1.56 H ATOM 79 HD1 PHE A 5 6.848 -17.760 3.245 1.00 1.53 H ATOM 80 HD2 PHE A 5 3.869 -15.364 1.367 1.00 2.05 H ATOM 81 HE1 PHE A 5 5.255 -18.359 5.016 1.00 2.37 H ATOM 82 HE2 PHE A 5 2.264 -15.995 3.114 1.00 3.76 H ATOM 83 HZ PHE A 5 2.946 -17.472 4.943 1.00 3.79 H ATOM 84 N VAL A 6 6.058 -13.014 1.034 1.00 0.68 N ATOM 85 CA VAL A 6 5.233 -11.881 1.411 1.00 0.68 C ATOM 86 C VAL A 6 3.754 -12.200 1.224 1.00 0.53 C ATOM 87 O VAL A 6 3.321 -12.615 0.143 1.00 0.55 O ATOM 88 CB VAL A 6 5.599 -10.591 0.634 1.00 0.87 C ATOM 89 CG1 VAL A 6 5.364 -10.752 -0.852 1.00 1.54 C ATOM 90 CG2 VAL A 6 4.813 -9.400 1.156 1.00 1.36 C ATOM 91 H VAL A 6 6.195 -13.221 0.083 1.00 0.70 H ATOM 92 HA VAL A 6 5.413 -11.672 2.453 1.00 0.80 H ATOM 93 HB VAL A 6 6.628 -10.393 0.801 1.00 1.59 H ATOM 94 HG11 VAL A 6 4.307 -10.811 -1.066 1.00 2.10 H ATOM 95 HG12 VAL A 6 5.851 -11.639 -1.202 1.00 2.00 H ATOM 96 HG13 VAL A 6 5.783 -9.901 -1.366 1.00 2.10 H ATOM 97 HG21 VAL A 6 4.959 -8.552 0.497 1.00 1.90 H ATOM 98 HG22 VAL A 6 5.180 -9.135 2.130 1.00 1.88 H ATOM 99 HG23 VAL A 6 3.759 -9.623 1.213 1.00 1.92 H ATOM 100 N ARG A 7 3.000 -12.048 2.304 1.00 0.54 N ATOM 101 CA ARG A 7 1.556 -12.158 2.248 1.00 0.45 C ATOM 102 C ARG A 7 0.898 -10.950 2.899 1.00 0.58 C ATOM 103 O ARG A 7 1.374 -10.423 3.902 1.00 0.92 O ATOM 104 CB ARG A 7 1.058 -13.455 2.894 1.00 0.54 C ATOM 105 CG ARG A 7 -0.440 -13.447 3.186 1.00 0.65 C ATOM 106 CD ARG A 7 -1.017 -14.846 3.279 1.00 1.12 C ATOM 107 NE ARG A 7 -1.416 -15.355 1.970 1.00 1.74 N ATOM 108 CZ ARG A 7 -2.628 -15.836 1.696 1.00 2.37 C ATOM 109 NH1 ARG A 7 -3.550 -15.915 2.654 1.00 2.55 N ATOM 110 NH2 ARG A 7 -2.917 -16.237 0.466 1.00 3.34 N ATOM 111 H ARG A 7 3.410 -11.928 3.171 1.00 0.68 H ATOM 112 HA ARG A 7 1.276 -12.169 1.219 1.00 0.37 H ATOM 113 HB2 ARG A 7 1.282 -14.273 2.223 1.00 0.63 H ATOM 114 HB3 ARG A 7 1.586 -13.607 3.824 1.00 0.71 H ATOM 115 HG2 ARG A 7 -0.607 -12.945 4.126 1.00 1.01 H ATOM 116 HG3 ARG A 7 -0.960 -12.915 2.400 1.00 0.62 H ATOM 117 HD2 ARG A 7 -0.272 -15.514 3.701 1.00 1.63 H ATOM 118 HD3 ARG A 7 -1.857 -14.801 3.943 1.00 1.74 H ATOM 119 HE ARG A 7 -0.747 -15.325 1.253 1.00 2.22 H ATOM 120 HH11 ARG A 7 -3.367 -15.625 3.586 1.00 2.44 H ATOM 121 HH12 ARG A 7 -4.460 -16.276 2.432 1.00 3.20 H ATOM 122 HH21 ARG A 7 -2.234 -16.180 -0.256 1.00 3.75 H ATOM 123 HH22 ARG A 7 -3.827 -16.602 0.255 1.00 3.87 H ATOM 124 N HIS A 8 -0.184 -10.514 2.286 1.00 0.47 N ATOM 125 CA HIS A 8 -0.995 -9.408 2.792 1.00 0.63 C ATOM 126 C HIS A 8 -2.302 -9.967 3.282 1.00 0.43 C ATOM 127 O HIS A 8 -2.859 -10.854 2.646 1.00 0.63 O ATOM 128 CB HIS A 8 -1.283 -8.443 1.651 1.00 1.17 C ATOM 129 CG HIS A 8 -1.951 -7.142 1.980 1.00 0.58 C ATOM 130 ND1 HIS A 8 -2.324 -6.255 0.989 1.00 0.76 N ATOM 131 CD2 HIS A 8 -2.314 -6.570 3.149 1.00 1.39 C ATOM 132 CE1 HIS A 8 -2.882 -5.196 1.530 1.00 0.85 C ATOM 133 NE2 HIS A 8 -2.892 -5.359 2.841 1.00 1.63 N ATOM 134 H HIS A 8 -0.471 -10.977 1.485 1.00 0.44 H ATOM 135 HA HIS A 8 -0.479 -8.889 3.592 1.00 0.87 H ATOM 136 HB2 HIS A 8 -0.345 -8.148 1.244 1.00 2.03 H ATOM 137 HB3 HIS A 8 -1.881 -8.909 0.902 1.00 1.88 H ATOM 138 HD1 HIS A 8 -2.196 -6.388 0.027 1.00 1.51 H ATOM 139 HD2 HIS A 8 -2.154 -6.965 4.136 1.00 2.07 H ATOM 140 HE1 HIS A 8 -3.268 -4.340 0.994 1.00 1.02 H ATOM 141 HE2 HIS A 8 -3.265 -4.735 3.474 1.00 2.39 H ATOM 142 N SER A 9 -2.791 -9.465 4.390 1.00 0.46 N ATOM 143 CA SER A 9 -4.074 -9.895 4.882 1.00 0.49 C ATOM 144 C SER A 9 -4.873 -8.711 5.409 1.00 0.48 C ATOM 145 O SER A 9 -4.514 -8.089 6.412 1.00 0.59 O ATOM 146 CB SER A 9 -3.866 -10.968 5.941 1.00 0.71 C ATOM 147 OG SER A 9 -2.993 -10.521 6.963 1.00 1.77 O ATOM 148 H SER A 9 -2.260 -8.828 4.920 1.00 0.60 H ATOM 149 HA SER A 9 -4.632 -10.341 4.063 1.00 0.52 H ATOM 150 HB2 SER A 9 -4.817 -11.232 6.385 1.00 1.25 H ATOM 151 HB3 SER A 9 -3.435 -11.844 5.478 1.00 1.05 H ATOM 152 HG SER A 9 -3.024 -11.133 7.702 1.00 2.27 H ATOM 153 N VAL A 10 -5.934 -8.383 4.693 1.00 0.41 N ATOM 154 CA VAL A 10 -6.797 -7.268 5.055 1.00 0.40 C ATOM 155 C VAL A 10 -8.242 -7.595 4.710 1.00 0.39 C ATOM 156 O VAL A 10 -8.523 -8.109 3.625 1.00 0.39 O ATOM 157 CB VAL A 10 -6.356 -5.955 4.349 1.00 0.43 C ATOM 158 CG1 VAL A 10 -7.518 -4.993 4.169 1.00 1.04 C ATOM 159 CG2 VAL A 10 -5.238 -5.281 5.128 1.00 1.19 C ATOM 160 H VAL A 10 -6.145 -8.894 3.875 1.00 0.43 H ATOM 161 HA VAL A 10 -6.733 -7.119 6.133 1.00 0.45 H ATOM 162 HB VAL A 10 -5.966 -6.190 3.400 1.00 1.09 H ATOM 163 HG11 VAL A 10 -7.151 -3.988 4.008 1.00 1.63 H ATOM 164 HG12 VAL A 10 -8.145 -5.006 5.029 1.00 1.64 H ATOM 165 HG13 VAL A 10 -8.095 -5.290 3.304 1.00 1.62 H ATOM 166 HG21 VAL A 10 -5.000 -4.325 4.678 1.00 1.77 H ATOM 167 HG22 VAL A 10 -4.361 -5.911 5.111 1.00 1.70 H ATOM 168 HG23 VAL A 10 -5.544 -5.129 6.143 1.00 1.74 H ATOM 169 N THR A 11 -9.147 -7.320 5.636 1.00 0.44 N ATOM 170 CA THR A 11 -10.555 -7.578 5.414 1.00 0.42 C ATOM 171 C THR A 11 -11.326 -6.264 5.317 1.00 0.40 C ATOM 172 O THR A 11 -11.393 -5.493 6.272 1.00 0.47 O ATOM 173 CB THR A 11 -11.134 -8.447 6.545 1.00 0.50 C ATOM 174 OG1 THR A 11 -10.281 -9.584 6.763 1.00 0.60 O ATOM 175 CG2 THR A 11 -12.537 -8.924 6.201 1.00 0.50 C ATOM 176 H THR A 11 -8.869 -6.924 6.494 1.00 0.50 H ATOM 177 HA THR A 11 -10.672 -8.128 4.483 1.00 0.39 H ATOM 178 HB THR A 11 -11.179 -7.862 7.456 1.00 0.55 H ATOM 179 HG1 THR A 11 -10.394 -9.906 7.662 1.00 1.07 H ATOM 180 HG21 THR A 11 -13.199 -8.076 6.112 1.00 1.11 H ATOM 181 HG22 THR A 11 -12.895 -9.575 6.985 1.00 1.11 H ATOM 182 HG23 THR A 11 -12.518 -9.467 5.266 1.00 1.05 H ATOM 183 N VAL A 12 -11.901 -6.017 4.152 1.00 0.35 N ATOM 184 CA VAL A 12 -12.624 -4.784 3.891 1.00 0.37 C ATOM 185 C VAL A 12 -14.134 -4.993 4.006 1.00 0.36 C ATOM 186 O VAL A 12 -14.674 -5.972 3.494 1.00 0.38 O ATOM 187 CB VAL A 12 -12.233 -4.227 2.507 1.00 0.40 C ATOM 188 CG1 VAL A 12 -13.306 -3.318 1.939 1.00 0.93 C ATOM 189 CG2 VAL A 12 -10.910 -3.485 2.618 1.00 0.80 C ATOM 190 H VAL A 12 -11.861 -6.694 3.438 1.00 0.33 H ATOM 191 HA VAL A 12 -12.332 -4.048 4.640 1.00 0.44 H ATOM 192 HB VAL A 12 -12.100 -5.048 1.823 1.00 0.83 H ATOM 193 HG11 VAL A 12 -14.047 -3.926 1.452 1.00 1.47 H ATOM 194 HG12 VAL A 12 -12.880 -2.635 1.216 1.00 1.55 H ATOM 195 HG13 VAL A 12 -13.771 -2.757 2.717 1.00 1.48 H ATOM 196 HG21 VAL A 12 -10.999 -2.690 3.342 1.00 1.47 H ATOM 197 HG22 VAL A 12 -10.642 -3.068 1.655 1.00 1.24 H ATOM 198 HG23 VAL A 12 -10.137 -4.172 2.934 1.00 1.48 H ATOM 199 N LYS A 13 -14.804 -4.053 4.668 1.00 0.40 N ATOM 200 CA LYS A 13 -16.206 -4.218 5.058 1.00 0.43 C ATOM 201 C LYS A 13 -17.176 -3.600 4.053 1.00 0.40 C ATOM 202 O LYS A 13 -18.377 -3.552 4.312 1.00 0.47 O ATOM 203 CB LYS A 13 -16.462 -3.545 6.412 1.00 0.64 C ATOM 204 CG LYS A 13 -15.309 -3.636 7.396 1.00 0.62 C ATOM 205 CD LYS A 13 -14.999 -5.068 7.794 1.00 1.52 C ATOM 206 CE LYS A 13 -13.923 -5.103 8.862 1.00 2.15 C ATOM 207 NZ LYS A 13 -14.423 -4.590 10.167 1.00 2.77 N ATOM 208 H LYS A 13 -14.357 -3.200 4.865 1.00 0.47 H ATOM 209 HA LYS A 13 -16.424 -5.274 5.154 1.00 0.45 H ATOM 210 HB2 LYS A 13 -16.669 -2.492 6.259 1.00 1.06 H ATOM 211 HB3 LYS A 13 -17.330 -4.003 6.865 1.00 0.94 H ATOM 212 HG2 LYS A 13 -14.428 -3.189 6.965 1.00 0.97 H ATOM 213 HG3 LYS A 13 -15.586 -3.086 8.267 1.00 0.90 H ATOM 214 HD2 LYS A 13 -15.893 -5.533 8.182 1.00 2.00 H ATOM 215 HD3 LYS A 13 -14.652 -5.609 6.926 1.00 1.88 H ATOM 216 HE2 LYS A 13 -13.602 -6.126 8.991 1.00 2.65 H ATOM 217 HE3 LYS A 13 -13.080 -4.503 8.545 1.00 2.19 H ATOM 218 HZ1 LYS A 13 -13.757 -4.844 10.925 1.00 2.98 H ATOM 219 HZ2 LYS A 13 -15.357 -4.994 10.395 1.00 3.13 H ATOM 220 HZ3 LYS A 13 -14.501 -3.564 10.130 1.00 3.18 H ATOM 221 N ALA A 14 -16.678 -3.124 2.922 1.00 0.36 N ATOM 222 CA ALA A 14 -17.521 -2.341 2.022 1.00 0.38 C ATOM 223 C ALA A 14 -17.772 -3.015 0.676 1.00 0.40 C ATOM 224 O ALA A 14 -18.913 -3.035 0.219 1.00 0.64 O ATOM 225 CB ALA A 14 -16.919 -0.958 1.818 1.00 0.47 C ATOM 226 H ALA A 14 -15.771 -3.310 2.665 1.00 0.36 H ATOM 227 HA ALA A 14 -18.486 -2.186 2.489 1.00 0.41 H ATOM 228 HB1 ALA A 14 -15.969 -1.048 1.311 1.00 1.20 H ATOM 229 HB2 ALA A 14 -16.769 -0.489 2.779 1.00 0.97 H ATOM 230 HB3 ALA A 14 -17.589 -0.353 1.224 1.00 1.20 H ATOM 231 N ASP A 15 -16.720 -3.624 0.101 1.00 0.34 N ATOM 232 CA ASP A 15 -16.679 -4.053 -1.315 1.00 0.37 C ATOM 233 C ASP A 15 -15.280 -3.803 -1.894 1.00 0.32 C ATOM 234 O ASP A 15 -14.474 -3.078 -1.305 1.00 0.34 O ATOM 235 CB ASP A 15 -17.702 -3.323 -2.204 1.00 0.50 C ATOM 236 CG ASP A 15 -17.354 -1.869 -2.451 1.00 1.01 C ATOM 237 OD1 ASP A 15 -17.729 -1.010 -1.634 1.00 1.94 O ATOM 238 OD2 ASP A 15 -16.714 -1.582 -3.476 1.00 1.28 O ATOM 239 H ASP A 15 -15.937 -3.823 0.651 1.00 0.41 H ATOM 240 HA ASP A 15 -16.880 -5.114 -1.341 1.00 0.44 H ATOM 241 HB2 ASP A 15 -17.721 -3.819 -3.165 1.00 0.78 H ATOM 242 HB3 ASP A 15 -18.686 -3.384 -1.784 1.00 0.87 H ATOM 243 N ARG A 16 -15.009 -4.406 -3.050 1.00 0.33 N ATOM 244 CA ARG A 16 -13.687 -4.340 -3.677 1.00 0.35 C ATOM 245 C ARG A 16 -13.392 -2.967 -4.275 1.00 0.36 C ATOM 246 O ARG A 16 -12.233 -2.553 -4.334 1.00 0.39 O ATOM 247 CB ARG A 16 -13.554 -5.417 -4.755 1.00 0.44 C ATOM 248 CG ARG A 16 -12.124 -5.859 -4.997 1.00 0.71 C ATOM 249 CD ARG A 16 -12.063 -7.253 -5.598 1.00 0.63 C ATOM 250 NE ARG A 16 -12.785 -7.357 -6.864 1.00 1.38 N ATOM 251 CZ ARG A 16 -12.537 -8.295 -7.778 1.00 1.95 C ATOM 252 NH1 ARG A 16 -11.605 -9.216 -7.551 1.00 2.05 N ATOM 253 NH2 ARG A 16 -13.220 -8.309 -8.918 1.00 2.66 N ATOM 254 H ARG A 16 -15.728 -4.904 -3.508 1.00 0.36 H ATOM 255 HA ARG A 16 -12.952 -4.533 -2.904 1.00 0.37 H ATOM 256 HB2 ARG A 16 -14.134 -6.279 -4.450 1.00 0.78 H ATOM 257 HB3 ARG A 16 -13.958 -5.048 -5.690 1.00 0.88 H ATOM 258 HG2 ARG A 16 -11.659 -5.167 -5.684 1.00 1.24 H ATOM 259 HG3 ARG A 16 -11.592 -5.851 -4.070 1.00 1.41 H ATOM 260 HD2 ARG A 16 -11.027 -7.471 -5.769 1.00 0.74 H ATOM 261 HD3 ARG A 16 -12.473 -7.961 -4.892 1.00 0.82 H ATOM 262 HE ARG A 16 -13.488 -6.695 -7.057 1.00 1.67 H ATOM 263 HH11 ARG A 16 -11.080 -9.232 -6.707 1.00 1.76 H ATOM 264 HH12 ARG A 16 -11.424 -9.915 -8.247 1.00 2.60 H ATOM 265 HH21 ARG A 16 -13.921 -7.615 -9.093 1.00 2.84 H ATOM 266 HH22 ARG A 16 -13.034 -9.012 -9.607 1.00 3.11 H ATOM 267 N LYS A 17 -14.423 -2.258 -4.717 1.00 0.42 N ATOM 268 CA LYS A 17 -14.228 -0.965 -5.351 1.00 0.52 C ATOM 269 C LYS A 17 -13.817 0.065 -4.309 1.00 0.44 C ATOM 270 O LYS A 17 -12.909 0.857 -4.540 1.00 0.44 O ATOM 271 CB LYS A 17 -15.496 -0.538 -6.111 1.00 0.71 C ATOM 272 CG LYS A 17 -15.498 0.914 -6.577 1.00 1.40 C ATOM 273 CD LYS A 17 -16.119 1.831 -5.533 1.00 1.77 C ATOM 274 CE LYS A 17 -17.582 2.138 -5.830 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.346 0.955 -6.314 1.00 3.18 N ATOM 276 H LYS A 17 -15.338 -2.609 -4.620 1.00 0.43 H ATOM 277 HA LYS A 17 -13.424 -1.049 -6.060 1.00 0.58 H ATOM 278 HB2 LYS A 17 -15.585 -1.162 -6.989 1.00 1.48 H ATOM 279 HB3 LYS A 17 -16.353 -0.708 -5.491 1.00 1.21 H ATOM 280 HG2 LYS A 17 -14.475 1.232 -6.748 1.00 2.13 H ATOM 281 HG3 LYS A 17 -16.042 0.986 -7.507 1.00 2.04 H ATOM 282 HD2 LYS A 17 -16.069 1.383 -4.555 1.00 2.04 H ATOM 283 HD3 LYS A 17 -15.571 2.760 -5.525 1.00 2.23 H ATOM 284 HE2 LYS A 17 -18.045 2.502 -4.926 1.00 2.76 H ATOM 285 HE3 LYS A 17 -17.623 2.912 -6.583 1.00 2.88 H ATOM 286 HZ1 LYS A 17 -18.066 0.700 -7.280 1.00 3.53 H ATOM 287 HZ2 LYS A 17 -19.363 1.178 -6.320 1.00 3.50 H ATOM 288 HZ3 LYS A 17 -18.200 0.139 -5.689 1.00 3.63 H ATOM 289 N THR A 18 -14.477 0.037 -3.157 1.00 0.44 N ATOM 290 CA THR A 18 -14.103 0.895 -2.048 1.00 0.44 C ATOM 291 C THR A 18 -12.699 0.549 -1.559 1.00 0.37 C ATOM 292 O THR A 18 -11.915 1.437 -1.227 1.00 0.38 O ATOM 293 CB THR A 18 -15.108 0.771 -0.892 1.00 0.52 C ATOM 294 OG1 THR A 18 -16.410 1.159 -1.343 1.00 1.27 O ATOM 295 CG2 THR A 18 -14.700 1.636 0.287 1.00 0.82 C ATOM 296 H THR A 18 -15.225 -0.576 -3.050 1.00 0.48 H ATOM 297 HA THR A 18 -14.110 1.921 -2.395 1.00 0.46 H ATOM 298 HB THR A 18 -15.140 -0.261 -0.570 1.00 1.14 H ATOM 299 HG1 THR A 18 -16.713 0.593 -2.047 1.00 0.98 H ATOM 300 HG21 THR A 18 -14.451 2.633 -0.053 1.00 1.50 H ATOM 301 HG22 THR A 18 -13.848 1.201 0.786 1.00 1.41 H ATOM 302 HG23 THR A 18 -15.524 1.696 0.983 1.00 1.45 H ATOM 303 N ALA A 19 -12.382 -0.743 -1.537 1.00 0.34 N ATOM 304 CA ALA A 19 -11.046 -1.192 -1.163 1.00 0.32 C ATOM 305 C ALA A 19 -10.003 -0.620 -2.118 1.00 0.29 C ATOM 306 O ALA A 19 -9.036 0.004 -1.687 1.00 0.31 O ATOM 307 CB ALA A 19 -10.982 -2.714 -1.144 1.00 0.33 C ATOM 308 H ALA A 19 -13.066 -1.417 -1.762 1.00 0.37 H ATOM 309 HA ALA A 19 -10.836 -0.836 -0.165 1.00 0.36 H ATOM 310 HB1 ALA A 19 -10.053 -3.025 -0.695 1.00 1.00 H ATOM 311 HB2 ALA A 19 -11.042 -3.098 -2.154 1.00 1.09 H ATOM 312 HB3 ALA A 19 -11.805 -3.101 -0.568 1.00 1.04 H ATOM 313 N PHE A 20 -10.223 -0.815 -3.416 1.00 0.29 N ATOM 314 CA PHE A 20 -9.326 -0.289 -4.443 1.00 0.28 C ATOM 315 C PHE A 20 -9.249 1.239 -4.380 1.00 0.28 C ATOM 316 O PHE A 20 -8.163 1.819 -4.441 1.00 0.28 O ATOM 317 CB PHE A 20 -9.800 -0.736 -5.830 1.00 0.31 C ATOM 318 CG PHE A 20 -9.042 -0.119 -6.972 1.00 0.32 C ATOM 319 CD1 PHE A 20 -7.809 -0.624 -7.354 1.00 0.31 C ATOM 320 CD2 PHE A 20 -9.559 0.967 -7.659 1.00 0.39 C ATOM 321 CE1 PHE A 20 -7.107 -0.059 -8.401 1.00 0.33 C ATOM 322 CE2 PHE A 20 -8.860 1.537 -8.708 1.00 0.41 C ATOM 323 CZ PHE A 20 -7.647 1.020 -9.090 1.00 0.37 C ATOM 324 H PHE A 20 -11.018 -1.330 -3.694 1.00 0.33 H ATOM 325 HA PHE A 20 -8.338 -0.694 -4.267 1.00 0.28 H ATOM 326 HB2 PHE A 20 -9.688 -1.808 -5.889 1.00 0.33 H ATOM 327 HB3 PHE A 20 -10.848 -0.490 -5.936 1.00 0.35 H ATOM 328 HD1 PHE A 20 -7.394 -1.472 -6.829 1.00 0.32 H ATOM 329 HD2 PHE A 20 -10.513 1.380 -7.365 1.00 0.44 H ATOM 330 HE1 PHE A 20 -6.147 -0.461 -8.689 1.00 0.35 H ATOM 331 HE2 PHE A 20 -9.280 2.376 -9.241 1.00 0.48 H ATOM 332 HZ PHE A 20 -7.102 1.467 -9.909 1.00 0.39 H ATOM 333 N LYS A 21 -10.409 1.878 -4.256 1.00 0.32 N ATOM 334 CA LYS A 21 -10.487 3.332 -4.160 1.00 0.38 C ATOM 335 C LYS A 21 -9.628 3.832 -3.011 1.00 0.39 C ATOM 336 O LYS A 21 -8.766 4.687 -3.195 1.00 0.41 O ATOM 337 CB LYS A 21 -11.939 3.773 -3.950 1.00 0.48 C ATOM 338 CG LYS A 21 -12.105 5.260 -3.663 1.00 0.63 C ATOM 339 CD LYS A 21 -11.809 6.115 -4.885 1.00 1.27 C ATOM 340 CE LYS A 21 -12.806 5.854 -6.004 1.00 2.00 C ATOM 341 NZ LYS A 21 -12.587 6.753 -7.166 1.00 2.72 N ATOM 342 H LYS A 21 -11.244 1.357 -4.237 1.00 0.32 H ATOM 343 HA LYS A 21 -10.120 3.753 -5.086 1.00 0.40 H ATOM 344 HB2 LYS A 21 -12.518 3.503 -4.816 1.00 0.51 H ATOM 345 HB3 LYS A 21 -12.332 3.230 -3.102 1.00 0.48 H ATOM 346 HG2 LYS A 21 -13.127 5.435 -3.360 1.00 1.16 H ATOM 347 HG3 LYS A 21 -11.451 5.558 -2.858 1.00 1.17 H ATOM 348 HD2 LYS A 21 -11.863 7.156 -4.605 1.00 1.76 H ATOM 349 HD3 LYS A 21 -10.818 5.889 -5.243 1.00 1.95 H ATOM 350 HE2 LYS A 21 -12.701 4.837 -6.344 1.00 2.39 H ATOM 351 HE3 LYS A 21 -13.809 6.009 -5.630 1.00 2.49 H ATOM 352 HZ1 LYS A 21 -11.657 6.574 -7.589 1.00 3.14 H ATOM 353 HZ2 LYS A 21 -12.637 7.751 -6.869 1.00 3.06 H ATOM 354 HZ3 LYS A 21 -13.319 6.585 -7.886 1.00 3.15 H ATOM 355 N THR A 22 -9.849 3.267 -1.839 1.00 0.41 N ATOM 356 CA THR A 22 -9.116 3.657 -0.650 1.00 0.47 C ATOM 357 C THR A 22 -7.622 3.386 -0.819 1.00 0.46 C ATOM 358 O THR A 22 -6.799 4.257 -0.567 1.00 0.57 O ATOM 359 CB THR A 22 -9.654 2.900 0.581 1.00 0.51 C ATOM 360 OG1 THR A 22 -11.067 3.115 0.694 1.00 0.58 O ATOM 361 CG2 THR A 22 -8.970 3.347 1.866 1.00 0.57 C ATOM 362 H THR A 22 -10.532 2.558 -1.767 1.00 0.42 H ATOM 363 HA THR A 22 -9.267 4.719 -0.490 1.00 0.53 H ATOM 364 HB THR A 22 -9.467 1.843 0.439 1.00 0.49 H ATOM 365 HG1 THR A 22 -11.523 2.271 0.748 1.00 1.11 H ATOM 366 HG21 THR A 22 -9.073 4.417 1.980 1.00 1.17 H ATOM 367 HG22 THR A 22 -7.929 3.087 1.833 1.00 1.14 H ATOM 368 HG23 THR A 22 -9.434 2.854 2.707 1.00 1.16 H ATOM 369 N PHE A 23 -7.297 2.195 -1.302 1.00 0.37 N ATOM 370 CA PHE A 23 -5.915 1.733 -1.379 1.00 0.39 C ATOM 371 C PHE A 23 -5.068 2.557 -2.351 1.00 0.41 C ATOM 372 O PHE A 23 -3.915 2.872 -2.060 1.00 0.57 O ATOM 373 CB PHE A 23 -5.899 0.256 -1.792 1.00 0.37 C ATOM 374 CG PHE A 23 -4.533 -0.370 -1.813 1.00 0.44 C ATOM 375 CD1 PHE A 23 -3.875 -0.669 -0.631 1.00 0.60 C ATOM 376 CD2 PHE A 23 -3.901 -0.646 -3.016 1.00 0.41 C ATOM 377 CE1 PHE A 23 -2.616 -1.235 -0.646 1.00 0.69 C ATOM 378 CE2 PHE A 23 -2.640 -1.212 -3.038 1.00 0.50 C ATOM 379 CZ PHE A 23 -2.018 -1.551 -1.859 1.00 0.63 C ATOM 380 H PHE A 23 -8.012 1.597 -1.624 1.00 0.33 H ATOM 381 HA PHE A 23 -5.481 1.815 -0.392 1.00 0.46 H ATOM 382 HB2 PHE A 23 -6.508 -0.302 -1.092 1.00 0.39 H ATOM 383 HB3 PHE A 23 -6.339 0.165 -2.779 1.00 0.33 H ATOM 384 HD1 PHE A 23 -4.339 -0.423 0.315 1.00 0.66 H ATOM 385 HD2 PHE A 23 -4.405 -0.412 -3.939 1.00 0.37 H ATOM 386 HE1 PHE A 23 -2.131 -1.500 0.281 1.00 0.83 H ATOM 387 HE2 PHE A 23 -2.159 -1.423 -3.982 1.00 0.50 H ATOM 388 HZ PHE A 23 -1.032 -1.993 -1.875 1.00 0.71 H ATOM 389 N LEU A 24 -5.629 2.912 -3.501 1.00 0.33 N ATOM 390 CA LEU A 24 -4.813 3.487 -4.565 1.00 0.36 C ATOM 391 C LEU A 24 -5.175 4.937 -4.884 1.00 0.39 C ATOM 392 O LEU A 24 -4.420 5.636 -5.561 1.00 0.50 O ATOM 393 CB LEU A 24 -4.953 2.637 -5.823 1.00 0.40 C ATOM 394 CG LEU A 24 -3.708 2.588 -6.701 1.00 0.45 C ATOM 395 CD1 LEU A 24 -2.591 1.842 -5.986 1.00 0.47 C ATOM 396 CD2 LEU A 24 -4.022 1.938 -8.036 1.00 0.48 C ATOM 397 H LEU A 24 -6.592 2.776 -3.650 1.00 0.34 H ATOM 398 HA LEU A 24 -3.783 3.481 -4.252 1.00 0.39 H ATOM 399 HB2 LEU A 24 -5.201 1.622 -5.530 1.00 0.40 H ATOM 400 HB3 LEU A 24 -5.776 3.021 -6.416 1.00 0.43 H ATOM 401 HG LEU A 24 -3.368 3.594 -6.888 1.00 0.53 H ATOM 402 HD11 LEU A 24 -2.272 2.396 -5.126 1.00 1.06 H ATOM 403 HD12 LEU A 24 -1.751 1.705 -6.652 1.00 1.15 H ATOM 404 HD13 LEU A 24 -2.942 0.878 -5.666 1.00 1.07 H ATOM 405 HD21 LEU A 24 -3.105 1.715 -8.566 1.00 1.14 H ATOM 406 HD22 LEU A 24 -4.613 2.617 -8.630 1.00 1.15 H ATOM 407 HD23 LEU A 24 -4.580 1.032 -7.890 1.00 1.06 H ATOM 408 N GLU A 25 -6.328 5.392 -4.433 1.00 0.47 N ATOM 409 CA GLU A 25 -6.741 6.759 -4.721 1.00 0.52 C ATOM 410 C GLU A 25 -6.960 7.553 -3.448 1.00 0.56 C ATOM 411 O GLU A 25 -6.721 8.759 -3.403 1.00 0.81 O ATOM 412 CB GLU A 25 -8.019 6.779 -5.559 1.00 0.59 C ATOM 413 CG GLU A 25 -7.939 5.943 -6.822 1.00 0.72 C ATOM 414 CD GLU A 25 -8.751 6.539 -7.944 1.00 1.04 C ATOM 415 OE1 GLU A 25 -9.989 6.543 -7.833 1.00 1.34 O ATOM 416 OE2 GLU A 25 -8.157 6.972 -8.955 1.00 1.30 O ATOM 417 H GLU A 25 -6.939 4.810 -3.943 1.00 0.55 H ATOM 418 HA GLU A 25 -5.966 7.261 -5.284 1.00 0.58 H ATOM 419 HB2 GLU A 25 -8.832 6.399 -4.961 1.00 0.64 H ATOM 420 HB3 GLU A 25 -8.233 7.806 -5.830 1.00 0.63 H ATOM 421 HG2 GLU A 25 -6.932 5.824 -7.130 1.00 0.83 H ATOM 422 HG3 GLU A 25 -8.349 4.968 -6.601 1.00 0.77 H ATOM 423 N GLY A 26 -7.396 6.863 -2.414 1.00 0.54 N ATOM 424 CA GLY A 26 -7.765 7.517 -1.183 1.00 0.61 C ATOM 425 C GLY A 26 -6.604 7.666 -0.229 1.00 0.48 C ATOM 426 O GLY A 26 -6.811 7.804 0.968 1.00 0.55 O ATOM 427 H GLY A 26 -7.492 5.893 -2.462 1.00 0.64 H ATOM 428 HA2 GLY A 26 -8.174 8.499 -1.393 1.00 0.74 H ATOM 429 HA3 GLY A 26 -8.530 6.925 -0.700 1.00 0.83 H ATOM 430 N PHE A 27 -5.387 7.643 -0.759 1.00 0.47 N ATOM 431 CA PHE A 27 -4.195 7.824 0.039 1.00 0.62 C ATOM 432 C PHE A 27 -4.364 9.017 0.984 1.00 0.66 C ATOM 433 O PHE A 27 -4.254 8.850 2.188 1.00 0.88 O ATOM 434 CB PHE A 27 -2.985 8.025 -0.882 1.00 0.73 C ATOM 435 CG PHE A 27 -1.684 7.540 -0.313 1.00 0.88 C ATOM 436 CD1 PHE A 27 -1.097 8.213 0.742 1.00 1.54 C ATOM 437 CD2 PHE A 27 -1.056 6.417 -0.822 1.00 1.10 C ATOM 438 CE1 PHE A 27 0.100 7.776 1.278 1.00 1.96 C ATOM 439 CE2 PHE A 27 0.142 5.976 -0.290 1.00 1.54 C ATOM 440 CZ PHE A 27 0.724 6.626 0.724 1.00 1.83 C ATOM 441 H PHE A 27 -5.273 7.487 -1.713 1.00 0.48 H ATOM 442 HA PHE A 27 -4.051 6.956 0.621 1.00 0.76 H ATOM 443 HB2 PHE A 27 -3.154 7.490 -1.809 1.00 0.89 H ATOM 444 HB3 PHE A 27 -2.857 9.064 -1.119 1.00 0.99 H ATOM 445 HD1 PHE A 27 -1.580 9.090 1.143 1.00 1.93 H ATOM 446 HD2 PHE A 27 -1.504 5.880 -1.647 1.00 1.37 H ATOM 447 HE1 PHE A 27 0.560 8.310 2.096 1.00 2.56 H ATOM 448 HE2 PHE A 27 0.615 5.116 -0.671 1.00 1.92 H ATOM 449 HZ PHE A 27 1.660 6.270 1.129 1.00 2.25 H ATOM 450 N PRO A 28 -4.690 10.225 0.469 1.00 0.63 N ATOM 451 CA PRO A 28 -4.858 11.420 1.315 1.00 0.81 C ATOM 452 C PRO A 28 -6.001 11.323 2.341 1.00 0.83 C ATOM 453 O PRO A 28 -6.032 12.095 3.302 1.00 1.17 O ATOM 454 CB PRO A 28 -5.162 12.537 0.306 1.00 0.91 C ATOM 455 CG PRO A 28 -5.645 11.837 -0.916 1.00 0.85 C ATOM 456 CD PRO A 28 -4.899 10.543 -0.963 1.00 0.63 C ATOM 457 HA PRO A 28 -3.941 11.656 1.835 1.00 0.95 H ATOM 458 HB2 PRO A 28 -5.911 13.215 0.695 1.00 1.04 H ATOM 459 HB3 PRO A 28 -4.257 13.086 0.106 1.00 1.01 H ATOM 460 HG2 PRO A 28 -6.708 11.657 -0.841 1.00 0.90 H ATOM 461 HG3 PRO A 28 -5.424 12.431 -1.791 1.00 1.07 H ATOM 462 HD2 PRO A 28 -5.491 9.804 -1.463 1.00 0.51 H ATOM 463 HD3 PRO A 28 -3.959 10.682 -1.471 1.00 0.75 H ATOM 464 N GLU A 29 -6.924 10.375 2.171 1.00 0.59 N ATOM 465 CA GLU A 29 -8.124 10.348 3.010 1.00 0.64 C ATOM 466 C GLU A 29 -8.020 9.334 4.154 1.00 0.53 C ATOM 467 O GLU A 29 -9.005 9.086 4.857 1.00 0.68 O ATOM 468 CB GLU A 29 -9.380 10.072 2.177 1.00 0.75 C ATOM 469 CG GLU A 29 -9.479 8.656 1.638 1.00 0.73 C ATOM 470 CD GLU A 29 -10.826 8.361 1.020 1.00 0.99 C ATOM 471 OE1 GLU A 29 -11.069 8.790 -0.123 1.00 1.20 O ATOM 472 OE2 GLU A 29 -11.653 7.709 1.687 1.00 1.21 O ATOM 473 H GLU A 29 -6.823 9.700 1.479 1.00 0.52 H ATOM 474 HA GLU A 29 -8.248 11.327 3.460 1.00 0.79 H ATOM 475 HB2 GLU A 29 -10.247 10.263 2.796 1.00 0.83 H ATOM 476 HB3 GLU A 29 -9.396 10.753 1.340 1.00 0.91 H ATOM 477 HG2 GLU A 29 -8.759 8.558 0.882 1.00 0.72 H ATOM 478 HG3 GLU A 29 -9.294 7.937 2.421 1.00 0.64 H ATOM 479 N TRP A 30 -6.851 8.735 4.340 1.00 0.51 N ATOM 480 CA TRP A 30 -6.627 7.918 5.527 1.00 0.46 C ATOM 481 C TRP A 30 -6.051 8.812 6.621 1.00 0.51 C ATOM 482 O TRP A 30 -5.999 10.033 6.463 1.00 0.79 O ATOM 483 CB TRP A 30 -5.653 6.757 5.281 1.00 0.72 C ATOM 484 CG TRP A 30 -5.713 6.107 3.933 1.00 0.59 C ATOM 485 CD1 TRP A 30 -6.819 5.811 3.194 1.00 0.53 C ATOM 486 CD2 TRP A 30 -4.590 5.633 3.182 1.00 1.56 C ATOM 487 NE1 TRP A 30 -6.444 5.211 2.015 1.00 0.64 N ATOM 488 CE2 TRP A 30 -5.085 5.083 1.990 1.00 1.54 C ATOM 489 CE3 TRP A 30 -3.210 5.628 3.397 1.00 2.60 C ATOM 490 CZ2 TRP A 30 -4.251 4.534 1.018 1.00 2.50 C ATOM 491 CZ3 TRP A 30 -2.385 5.082 2.433 1.00 3.54 C ATOM 492 CH2 TRP A 30 -2.909 4.540 1.256 1.00 3.48 C ATOM 493 H TRP A 30 -6.125 8.833 3.685 1.00 0.64 H ATOM 494 HA TRP A 30 -7.571 7.511 5.872 1.00 0.54 H ATOM 495 HB2 TRP A 30 -4.658 7.107 5.395 1.00 1.14 H ATOM 496 HB3 TRP A 30 -5.845 5.987 6.014 1.00 1.10 H ATOM 497 HD1 TRP A 30 -7.833 6.041 3.491 1.00 1.30 H ATOM 498 HE1 TRP A 30 -7.042 4.931 1.309 1.00 0.70 H ATOM 499 HE3 TRP A 30 -2.784 6.029 4.299 1.00 2.70 H ATOM 500 HZ2 TRP A 30 -4.632 4.110 0.108 1.00 2.52 H ATOM 501 HZ3 TRP A 30 -1.324 5.076 2.574 1.00 4.36 H ATOM 502 HH2 TRP A 30 -2.228 4.122 0.530 1.00 4.26 H ATOM 503 N TRP A 31 -5.612 8.225 7.726 1.00 0.49 N ATOM 504 CA TRP A 31 -4.915 9.002 8.755 1.00 0.63 C ATOM 505 C TRP A 31 -3.728 8.269 9.444 1.00 0.71 C ATOM 506 O TRP A 31 -3.329 8.679 10.535 1.00 1.20 O ATOM 507 CB TRP A 31 -5.923 9.469 9.811 1.00 0.79 C ATOM 508 CG TRP A 31 -7.107 8.557 9.960 1.00 0.93 C ATOM 509 CD1 TRP A 31 -7.142 7.347 10.587 1.00 0.81 C ATOM 510 CD2 TRP A 31 -8.433 8.790 9.467 1.00 1.96 C ATOM 511 NE1 TRP A 31 -8.402 6.810 10.506 1.00 1.15 N ATOM 512 CE2 TRP A 31 -9.213 7.677 9.830 1.00 2.01 C ATOM 513 CE3 TRP A 31 -9.038 9.832 8.756 1.00 3.01 C ATOM 514 CZ2 TRP A 31 -10.561 7.572 9.505 1.00 3.01 C ATOM 515 CZ3 TRP A 31 -10.377 9.726 8.436 1.00 4.02 C ATOM 516 CH2 TRP A 31 -11.128 8.604 8.811 1.00 4.01 C ATOM 517 H TRP A 31 -5.872 7.298 7.923 1.00 0.47 H ATOM 518 HA TRP A 31 -4.501 9.886 8.289 1.00 0.78 H ATOM 519 HB2 TRP A 31 -5.455 9.562 10.781 1.00 0.96 H ATOM 520 HB3 TRP A 31 -6.294 10.442 9.518 1.00 1.05 H ATOM 521 HD1 TRP A 31 -6.289 6.886 11.065 1.00 1.34 H ATOM 522 HE1 TRP A 31 -8.675 5.946 10.879 1.00 1.20 H ATOM 523 HE3 TRP A 31 -8.476 10.704 8.458 1.00 3.07 H ATOM 524 HZ2 TRP A 31 -11.152 6.715 9.788 1.00 3.07 H ATOM 525 HZ3 TRP A 31 -10.862 10.521 7.887 1.00 4.87 H ATOM 526 HH2 TRP A 31 -12.172 8.565 8.539 1.00 4.84 H ATOM 527 N PRO A 32 -3.107 7.212 8.850 1.00 0.59 N ATOM 528 CA PRO A 32 -1.989 6.508 9.475 1.00 0.65 C ATOM 529 C PRO A 32 -0.604 7.003 9.013 1.00 0.80 C ATOM 530 O PRO A 32 0.315 7.131 9.820 1.00 1.65 O ATOM 531 CB PRO A 32 -2.217 5.056 9.024 1.00 0.69 C ATOM 532 CG PRO A 32 -3.253 5.110 7.932 1.00 0.73 C ATOM 533 CD PRO A 32 -3.439 6.558 7.589 1.00 0.87 C ATOM 534 HA PRO A 32 -2.038 6.552 10.555 1.00 0.75 H ATOM 535 HB2 PRO A 32 -1.297 4.615 8.666 1.00 0.77 H ATOM 536 HB3 PRO A 32 -2.582 4.484 9.862 1.00 0.83 H ATOM 537 HG2 PRO A 32 -2.904 4.606 7.056 1.00 0.74 H ATOM 538 HG3 PRO A 32 -4.158 4.699 8.254 1.00 0.87 H ATOM 539 HD2 PRO A 32 -2.795 6.850 6.793 1.00 1.16 H ATOM 540 HD3 PRO A 32 -4.428 6.706 7.337 1.00 1.20 H ATOM 541 N ASN A 33 -0.457 7.271 7.716 1.00 0.76 N ATOM 542 CA ASN A 33 0.837 7.659 7.139 1.00 0.70 C ATOM 543 C ASN A 33 0.702 8.968 6.390 1.00 0.66 C ATOM 544 O ASN A 33 1.509 9.880 6.548 1.00 0.71 O ATOM 545 CB ASN A 33 1.305 6.601 6.152 1.00 0.84 C ATOM 546 CG ASN A 33 2.806 6.632 5.897 1.00 1.00 C ATOM 547 OD1 ASN A 33 3.396 5.623 5.514 1.00 1.74 O ATOM 548 ND2 ASN A 33 3.444 7.773 6.125 1.00 1.06 N ATOM 549 H ASN A 33 -1.203 7.183 7.122 1.00 1.37 H ATOM 550 HA ASN A 33 1.571 7.775 7.928 1.00 0.78 H ATOM 551 HB2 ASN A 33 1.081 5.638 6.567 1.00 0.99 H ATOM 552 HB3 ASN A 33 0.789 6.706 5.205 1.00 0.89 H ATOM 553 HD21 ASN A 33 2.967 8.555 6.427 1.00 1.52 H ATOM 554 HD22 ASN A 33 4.401 7.782 6.011 1.00 1.14 H ATOM 555 N ASN A 34 -0.340 9.030 5.575 1.00 0.74 N ATOM 556 CA ASN A 34 -0.626 10.167 4.699 1.00 0.87 C ATOM 557 C ASN A 34 -1.087 11.393 5.491 1.00 0.96 C ATOM 558 O ASN A 34 -1.650 12.328 4.918 1.00 1.29 O ATOM 559 CB ASN A 34 -1.755 9.766 3.759 1.00 1.13 C ATOM 560 CG ASN A 34 -2.952 9.336 4.568 1.00 1.50 C ATOM 561 OD1 ASN A 34 -3.060 8.186 4.980 1.00 2.34 O ATOM 562 ND2 ASN A 34 -3.832 10.274 4.822 1.00 1.46 N ATOM 563 H ASN A 34 -0.925 8.246 5.516 1.00 0.80 H ATOM 564 HA ASN A 34 0.244 10.395 4.125 1.00 0.90 H ATOM 565 HB2 ASN A 34 -2.022 10.584 3.101 1.00 1.11 H ATOM 566 HB3 ASN A 34 -1.432 8.927 3.186 1.00 1.26 H ATOM 567 HD21 ASN A 34 -3.670 11.185 4.484 1.00 1.70 H ATOM 568 HD22 ASN A 34 -4.611 10.038 5.325 1.00 1.69 H ATOM 569 N PHE A 35 -0.875 11.373 6.796 1.00 1.02 N ATOM 570 CA PHE A 35 -1.345 12.443 7.682 1.00 1.36 C ATOM 571 C PHE A 35 -0.483 13.714 7.538 1.00 1.18 C ATOM 572 O PHE A 35 -0.085 14.334 8.526 1.00 1.56 O ATOM 573 CB PHE A 35 -1.327 11.932 9.129 1.00 1.96 C ATOM 574 CG PHE A 35 -2.207 12.710 10.071 1.00 2.65 C ATOM 575 CD1 PHE A 35 -3.585 12.677 9.939 1.00 3.31 C ATOM 576 CD2 PHE A 35 -1.653 13.478 11.084 1.00 3.02 C ATOM 577 CE1 PHE A 35 -4.395 13.395 10.799 1.00 4.29 C ATOM 578 CE2 PHE A 35 -2.459 14.197 11.948 1.00 3.90 C ATOM 579 CZ PHE A 35 -3.836 14.131 11.820 1.00 4.55 C ATOM 580 H PHE A 35 -0.376 10.652 7.201 1.00 1.03 H ATOM 581 HA PHE A 35 -2.366 12.684 7.406 1.00 1.62 H ATOM 582 HB2 PHE A 35 -1.672 10.906 9.140 1.00 2.19 H ATOM 583 HB3 PHE A 35 -0.310 11.954 9.506 1.00 2.26 H ATOM 584 HD1 PHE A 35 -4.033 12.082 9.155 1.00 3.20 H ATOM 585 HD2 PHE A 35 -0.577 13.531 11.188 1.00 2.82 H ATOM 586 HE1 PHE A 35 -5.469 13.361 10.683 1.00 4.96 H ATOM 587 HE2 PHE A 35 -2.017 14.773 12.747 1.00 4.22 H ATOM 588 HZ PHE A 35 -4.469 14.692 12.491 1.00 5.35 H ATOM 589 N ARG A 36 -0.224 14.107 6.296 1.00 1.03 N ATOM 590 CA ARG A 36 0.630 15.248 5.992 1.00 1.10 C ATOM 591 C ARG A 36 0.141 15.974 4.741 1.00 0.98 C ATOM 592 O ARG A 36 -0.896 15.619 4.178 1.00 1.26 O ATOM 593 CB ARG A 36 2.080 14.789 5.794 1.00 1.32 C ATOM 594 CG ARG A 36 2.793 14.378 7.076 1.00 1.67 C ATOM 595 CD ARG A 36 3.207 15.584 7.911 1.00 1.88 C ATOM 596 NE ARG A 36 2.075 16.438 8.265 1.00 2.39 N ATOM 597 CZ ARG A 36 2.193 17.653 8.789 1.00 3.06 C ATOM 598 NH1 ARG A 36 3.395 18.137 9.083 1.00 3.35 N ATOM 599 NH2 ARG A 36 1.114 18.384 9.024 1.00 3.90 N ATOM 600 H ARG A 36 -0.642 13.648 5.549 1.00 1.21 H ATOM 601 HA ARG A 36 0.566 15.945 6.789 1.00 1.39 H ATOM 602 HB2 ARG A 36 2.089 13.958 5.126 1.00 1.35 H ATOM 603 HB3 ARG A 36 2.645 15.594 5.355 1.00 1.66 H ATOM 604 HG2 ARG A 36 2.155 13.745 7.665 1.00 2.13 H ATOM 605 HG3 ARG A 36 3.683 13.827 6.807 1.00 1.91 H ATOM 606 HD2 ARG A 36 3.673 15.231 8.819 1.00 2.19 H ATOM 607 HD3 ARG A 36 3.924 16.160 7.341 1.00 2.30 H ATOM 608 HE ARG A 36 1.179 16.084 8.153 1.00 2.68 H ATOM 609 HH11 ARG A 36 4.224 17.604 8.922 1.00 3.21 H ATOM 610 HH12 ARG A 36 3.476 19.055 9.477 1.00 4.01 H ATOM 611 HH21 ARG A 36 0.203 18.022 8.808 1.00 4.18 H ATOM 612 HH22 ARG A 36 1.201 19.302 9.419 1.00 4.48 H ATOM 613 N THR A 37 0.867 17.013 4.340 1.00 1.01 N ATOM 614 CA THR A 37 0.584 17.742 3.106 1.00 0.97 C ATOM 615 C THR A 37 1.887 17.988 2.343 1.00 0.87 C ATOM 616 O THR A 37 2.895 18.326 2.967 1.00 1.01 O ATOM 617 CB THR A 37 -0.107 19.089 3.400 1.00 1.24 C ATOM 618 OG1 THR A 37 0.571 19.759 4.472 1.00 1.96 O ATOM 619 CG2 THR A 37 -1.570 18.887 3.768 1.00 1.77 C ATOM 620 H THR A 37 1.601 17.339 4.910 1.00 1.27 H ATOM 621 HA THR A 37 -0.076 17.155 2.481 1.00 0.98 H ATOM 622 HB THR A 37 -0.066 19.712 2.514 1.00 1.36 H ATOM 623 HG1 THR A 37 0.432 19.307 5.313 1.00 2.41 H ATOM 624 HG21 THR A 37 -1.639 18.265 4.650 1.00 2.20 H ATOM 625 HG22 THR A 37 -2.086 18.407 2.948 1.00 2.17 H ATOM 626 HG23 THR A 37 -2.025 19.845 3.968 1.00 2.18 H ATOM 627 N THR A 38 1.874 17.782 1.010 1.00 0.80 N ATOM 628 CA THR A 38 3.076 17.942 0.170 1.00 0.84 C ATOM 629 C THR A 38 4.203 17.125 0.764 1.00 0.97 C ATOM 630 O THR A 38 5.371 17.507 0.778 1.00 1.46 O ATOM 631 CB THR A 38 3.486 19.426 0.010 1.00 1.01 C ATOM 632 OG1 THR A 38 3.783 20.030 1.273 1.00 1.20 O ATOM 633 CG2 THR A 38 2.371 20.206 -0.664 1.00 1.07 C ATOM 634 H THR A 38 1.036 17.515 0.573 1.00 0.84 H ATOM 635 HA THR A 38 2.850 17.537 -0.789 1.00 0.83 H ATOM 636 HB THR A 38 4.353 19.471 -0.596 1.00 1.10 H ATOM 637 HG1 THR A 38 4.384 20.770 1.147 1.00 1.30 H ATOM 638 HG21 THR A 38 2.210 19.823 -1.658 1.00 1.59 H ATOM 639 HG22 THR A 38 2.651 21.247 -0.723 1.00 1.34 H ATOM 640 HG23 THR A 38 1.460 20.114 -0.088 1.00 1.54 H ATOM 641 N LYS A 39 3.795 15.975 1.232 1.00 0.88 N ATOM 642 CA LYS A 39 4.633 15.067 1.973 1.00 1.09 C ATOM 643 C LYS A 39 4.191 13.662 1.613 1.00 1.05 C ATOM 644 O LYS A 39 3.759 13.408 0.489 1.00 1.79 O ATOM 645 CB LYS A 39 4.398 15.314 3.466 1.00 1.32 C ATOM 646 CG LYS A 39 5.642 15.322 4.361 1.00 1.68 C ATOM 647 CD LYS A 39 6.480 14.059 4.236 1.00 1.96 C ATOM 648 CE LYS A 39 7.666 14.279 3.317 1.00 2.55 C ATOM 649 NZ LYS A 39 8.397 13.020 3.036 1.00 3.43 N ATOM 650 H LYS A 39 2.864 15.694 1.062 1.00 1.00 H ATOM 651 HA LYS A 39 5.656 15.221 1.727 1.00 1.36 H ATOM 652 HB2 LYS A 39 3.933 16.277 3.586 1.00 1.62 H ATOM 653 HB3 LYS A 39 3.724 14.580 3.854 1.00 1.27 H ATOM 654 HG2 LYS A 39 6.241 16.185 4.110 1.00 1.99 H ATOM 655 HG3 LYS A 39 5.314 15.415 5.387 1.00 2.28 H ATOM 656 HD2 LYS A 39 6.860 13.811 5.214 1.00 2.17 H ATOM 657 HD3 LYS A 39 5.912 13.250 3.881 1.00 2.39 H ATOM 658 HE2 LYS A 39 7.336 14.700 2.389 1.00 2.86 H ATOM 659 HE3 LYS A 39 8.344 14.970 3.797 1.00 2.78 H ATOM 660 HZ1 LYS A 39 7.766 12.325 2.587 1.00 3.72 H ATOM 661 HZ2 LYS A 39 8.775 12.614 3.916 1.00 3.94 H ATOM 662 HZ3 LYS A 39 9.188 13.217 2.393 1.00 3.76 H ATOM 663 N VAL A 40 4.276 12.759 2.562 1.00 1.04 N ATOM 664 CA VAL A 40 3.538 11.538 2.469 1.00 0.99 C ATOM 665 C VAL A 40 2.130 11.881 2.946 1.00 1.00 C ATOM 666 O VAL A 40 1.871 11.987 4.145 1.00 1.69 O ATOM 667 CB VAL A 40 4.153 10.391 3.303 1.00 1.11 C ATOM 668 CG1 VAL A 40 4.494 10.839 4.723 1.00 1.76 C ATOM 669 CG2 VAL A 40 3.206 9.205 3.326 1.00 1.47 C ATOM 670 H VAL A 40 4.848 12.889 3.301 1.00 1.60 H ATOM 671 HA VAL A 40 3.496 11.232 1.450 1.00 1.12 H ATOM 672 HB VAL A 40 5.068 10.078 2.823 1.00 1.80 H ATOM 673 HG11 VAL A 40 4.682 9.971 5.342 1.00 2.43 H ATOM 674 HG12 VAL A 40 3.693 11.407 5.154 1.00 2.14 H ATOM 675 HG13 VAL A 40 5.385 11.438 4.704 1.00 2.19 H ATOM 676 HG21 VAL A 40 2.378 9.405 3.995 1.00 2.02 H ATOM 677 HG22 VAL A 40 3.730 8.335 3.670 1.00 1.96 H ATOM 678 HG23 VAL A 40 2.819 9.017 2.340 1.00 1.97 H ATOM 679 N GLY A 41 1.247 12.123 2.007 1.00 0.99 N ATOM 680 CA GLY A 41 0.034 12.823 2.311 1.00 1.26 C ATOM 681 C GLY A 41 -0.113 14.053 1.443 1.00 1.19 C ATOM 682 O GLY A 41 0.369 15.134 1.779 1.00 1.79 O ATOM 683 H GLY A 41 1.433 11.854 1.098 1.00 1.37 H ATOM 684 HA2 GLY A 41 -0.804 12.162 2.138 1.00 1.52 H ATOM 685 HA3 GLY A 41 0.018 13.138 3.347 1.00 1.41 H ATOM 686 N ALA A 42 -0.711 13.867 0.289 1.00 0.72 N ATOM 687 CA ALA A 42 -0.991 14.960 -0.627 1.00 0.66 C ATOM 688 C ALA A 42 -2.128 14.576 -1.577 1.00 0.69 C ATOM 689 O ALA A 42 -2.546 13.421 -1.602 1.00 0.96 O ATOM 690 CB ALA A 42 0.274 15.321 -1.389 1.00 0.68 C ATOM 691 H ALA A 42 -1.010 12.966 0.048 1.00 0.80 H ATOM 692 HA ALA A 42 -1.298 15.823 -0.048 1.00 0.72 H ATOM 693 HB1 ALA A 42 0.406 16.391 -1.357 1.00 1.24 H ATOM 694 HB2 ALA A 42 0.171 15.015 -2.396 1.00 1.14 H ATOM 695 HB3 ALA A 42 1.137 14.843 -0.945 1.00 1.32 H ATOM 696 N PRO A 43 -2.666 15.537 -2.354 1.00 0.67 N ATOM 697 CA PRO A 43 -3.786 15.282 -3.273 1.00 0.75 C ATOM 698 C PRO A 43 -3.408 14.406 -4.472 1.00 0.78 C ATOM 699 O PRO A 43 -3.398 14.877 -5.610 1.00 1.16 O ATOM 700 CB PRO A 43 -4.197 16.684 -3.755 1.00 0.91 C ATOM 701 CG PRO A 43 -3.521 17.641 -2.830 1.00 0.95 C ATOM 702 CD PRO A 43 -2.267 16.954 -2.380 1.00 0.80 C ATOM 703 HA PRO A 43 -4.617 14.828 -2.754 1.00 0.78 H ATOM 704 HB2 PRO A 43 -3.886 16.864 -4.774 1.00 1.04 H ATOM 705 HB3 PRO A 43 -5.269 16.780 -3.688 1.00 1.06 H ATOM 706 HG2 PRO A 43 -3.283 18.553 -3.355 1.00 1.21 H ATOM 707 HG3 PRO A 43 -4.160 17.848 -1.984 1.00 1.21 H ATOM 708 HD2 PRO A 43 -1.478 17.122 -3.087 1.00 1.02 H ATOM 709 HD3 PRO A 43 -1.986 17.308 -1.401 1.00 0.94 H ATOM 710 N LEU A 44 -3.083 13.142 -4.208 1.00 0.59 N ATOM 711 CA LEU A 44 -2.853 12.162 -5.266 1.00 0.70 C ATOM 712 C LEU A 44 -2.625 10.773 -4.674 1.00 0.58 C ATOM 713 O LEU A 44 -3.558 9.980 -4.551 1.00 0.77 O ATOM 714 CB LEU A 44 -1.658 12.552 -6.142 1.00 0.94 C ATOM 715 CG LEU A 44 -1.422 11.630 -7.337 1.00 1.43 C ATOM 716 CD1 LEU A 44 -2.611 11.660 -8.282 1.00 2.01 C ATOM 717 CD2 LEU A 44 -0.154 12.022 -8.072 1.00 1.96 C ATOM 718 H LEU A 44 -3.018 12.847 -3.274 1.00 0.61 H ATOM 719 HA LEU A 44 -3.744 12.128 -5.874 1.00 1.01 H ATOM 720 HB2 LEU A 44 -1.830 13.546 -6.527 1.00 1.36 H ATOM 721 HB3 LEU A 44 -0.773 12.586 -5.547 1.00 1.09 H ATOM 722 HG LEU A 44 -1.300 10.615 -6.990 1.00 1.51 H ATOM 723 HD11 LEU A 44 -2.402 11.046 -9.150 1.00 2.48 H ATOM 724 HD12 LEU A 44 -2.802 12.675 -8.602 1.00 2.40 H ATOM 725 HD13 LEU A 44 -3.485 11.271 -7.783 1.00 2.29 H ATOM 726 HD21 LEU A 44 0.019 11.335 -8.890 1.00 2.34 H ATOM 727 HD22 LEU A 44 0.686 11.983 -7.394 1.00 2.34 H ATOM 728 HD23 LEU A 44 -0.252 13.025 -8.464 1.00 2.37 H ATOM 729 N GLY A 45 -1.382 10.492 -4.312 1.00 0.51 N ATOM 730 CA GLY A 45 -1.045 9.225 -3.693 1.00 0.69 C ATOM 731 C GLY A 45 -0.492 8.223 -4.686 1.00 0.63 C ATOM 732 O GLY A 45 0.591 7.677 -4.486 1.00 0.67 O ATOM 733 H GLY A 45 -0.671 11.129 -4.456 1.00 0.51 H ATOM 734 HA2 GLY A 45 -0.332 9.355 -2.920 1.00 0.84 H ATOM 735 HA3 GLY A 45 -1.930 8.792 -3.253 1.00 0.87 H ATOM 736 N VAL A 46 -1.230 7.981 -5.760 1.00 0.60 N ATOM 737 CA VAL A 46 -0.826 7.018 -6.778 1.00 0.55 C ATOM 738 C VAL A 46 -1.237 7.517 -8.159 1.00 0.57 C ATOM 739 O VAL A 46 -2.238 8.221 -8.300 1.00 0.68 O ATOM 740 CB VAL A 46 -1.466 5.628 -6.542 1.00 0.62 C ATOM 741 CG1 VAL A 46 -0.876 4.591 -7.487 1.00 0.81 C ATOM 742 CG2 VAL A 46 -1.307 5.179 -5.097 1.00 0.82 C ATOM 743 H VAL A 46 -2.093 8.442 -5.869 1.00 0.65 H ATOM 744 HA VAL A 46 0.238 6.919 -6.759 1.00 0.54 H ATOM 745 HB VAL A 46 -2.517 5.697 -6.756 1.00 0.94 H ATOM 746 HG11 VAL A 46 -1.201 3.617 -7.211 1.00 1.34 H ATOM 747 HG12 VAL A 46 0.204 4.628 -7.446 1.00 1.23 H ATOM 748 HG13 VAL A 46 -1.202 4.796 -8.495 1.00 1.50 H ATOM 749 HG21 VAL A 46 -1.868 5.843 -4.455 1.00 1.33 H ATOM 750 HG22 VAL A 46 -0.267 5.214 -4.820 1.00 1.46 H ATOM 751 HG23 VAL A 46 -1.674 4.183 -4.975 1.00 1.28 H ATOM 752 N ASP A 47 -0.481 7.123 -9.167 1.00 0.53 N ATOM 753 CA ASP A 47 -0.786 7.455 -10.543 1.00 0.61 C ATOM 754 C ASP A 47 -1.484 6.276 -11.199 1.00 0.62 C ATOM 755 O ASP A 47 -0.958 5.157 -11.188 1.00 0.60 O ATOM 756 CB ASP A 47 0.490 7.794 -11.302 1.00 0.67 C ATOM 757 CG ASP A 47 0.267 7.928 -12.793 1.00 0.84 C ATOM 758 OD1 ASP A 47 -0.551 8.777 -13.194 1.00 1.39 O ATOM 759 OD2 ASP A 47 0.893 7.175 -13.569 1.00 1.31 O ATOM 760 H ASP A 47 0.303 6.569 -8.985 1.00 0.49 H ATOM 761 HA ASP A 47 -1.439 8.322 -10.565 1.00 0.73 H ATOM 762 HB2 ASP A 47 0.904 8.717 -10.926 1.00 0.73 H ATOM 763 HB3 ASP A 47 1.170 7.003 -11.134 1.00 0.64 H ATOM 764 N LYS A 48 -2.664 6.524 -11.753 1.00 0.77 N ATOM 765 CA LYS A 48 -3.497 5.462 -12.310 1.00 0.90 C ATOM 766 C LYS A 48 -3.028 5.031 -13.694 1.00 0.91 C ATOM 767 O LYS A 48 -2.935 3.838 -13.981 1.00 1.07 O ATOM 768 CB LYS A 48 -4.956 5.918 -12.395 1.00 1.18 C ATOM 769 CG LYS A 48 -5.561 6.329 -11.065 1.00 1.12 C ATOM 770 CD LYS A 48 -5.538 5.191 -10.059 1.00 0.95 C ATOM 771 CE LYS A 48 -4.626 5.507 -8.884 1.00 1.64 C ATOM 772 NZ LYS A 48 -5.074 6.715 -8.142 1.00 2.47 N ATOM 773 H LYS A 48 -2.984 7.456 -11.808 1.00 0.86 H ATOM 774 HA LYS A 48 -3.440 4.604 -11.654 1.00 0.90 H ATOM 775 HB2 LYS A 48 -5.018 6.766 -13.063 1.00 1.53 H ATOM 776 HB3 LYS A 48 -5.556 5.111 -12.801 1.00 1.68 H ATOM 777 HG2 LYS A 48 -5.011 7.179 -10.684 1.00 1.83 H ATOM 778 HG3 LYS A 48 -6.588 6.622 -11.233 1.00 1.78 H ATOM 779 HD2 LYS A 48 -6.539 5.052 -9.681 1.00 1.63 H ATOM 780 HD3 LYS A 48 -5.207 4.273 -10.524 1.00 1.40 H ATOM 781 HE2 LYS A 48 -4.637 4.671 -8.212 1.00 2.01 H ATOM 782 HE3 LYS A 48 -3.620 5.665 -9.247 1.00 1.97 H ATOM 783 HZ1 LYS A 48 -4.420 7.502 -8.335 1.00 2.78 H ATOM 784 HZ2 LYS A 48 -5.063 6.533 -7.122 1.00 2.88 H ATOM 785 HZ3 LYS A 48 -6.031 7.011 -8.428 1.00 2.95 H ATOM 786 N LYS A 49 -2.727 6.004 -14.544 1.00 0.89 N ATOM 787 CA LYS A 49 -2.460 5.726 -15.951 1.00 0.98 C ATOM 788 C LYS A 49 -1.103 5.070 -16.168 1.00 0.84 C ATOM 789 O LYS A 49 -0.842 4.506 -17.235 1.00 0.96 O ATOM 790 CB LYS A 49 -2.563 7.009 -16.780 1.00 1.19 C ATOM 791 CG LYS A 49 -1.653 8.133 -16.310 1.00 1.20 C ATOM 792 CD LYS A 49 -1.724 9.323 -17.250 1.00 1.52 C ATOM 793 CE LYS A 49 -1.154 8.982 -18.617 1.00 2.17 C ATOM 794 NZ LYS A 49 -1.378 10.068 -19.606 1.00 2.61 N ATOM 795 H LYS A 49 -2.690 6.927 -14.214 1.00 0.91 H ATOM 796 HA LYS A 49 -3.222 5.041 -16.303 1.00 1.14 H ATOM 797 HB2 LYS A 49 -2.335 6.762 -17.803 1.00 1.30 H ATOM 798 HB3 LYS A 49 -3.585 7.361 -16.732 1.00 1.48 H ATOM 799 HG2 LYS A 49 -1.967 8.455 -15.330 1.00 1.33 H ATOM 800 HG3 LYS A 49 -0.634 7.775 -16.263 1.00 1.14 H ATOM 801 HD2 LYS A 49 -2.753 9.633 -17.364 1.00 1.72 H ATOM 802 HD3 LYS A 49 -1.150 10.134 -16.826 1.00 1.88 H ATOM 803 HE2 LYS A 49 -0.093 8.819 -18.518 1.00 2.57 H ATOM 804 HE3 LYS A 49 -1.615 8.086 -18.999 1.00 2.70 H ATOM 805 HZ1 LYS A 49 -0.921 10.948 -19.286 1.00 2.96 H ATOM 806 HZ2 LYS A 49 -2.396 10.244 -19.726 1.00 2.90 H ATOM 807 HZ3 LYS A 49 -0.976 9.799 -20.525 1.00 2.98 H ATOM 808 N GLY A 50 -0.230 5.147 -15.176 1.00 0.75 N ATOM 809 CA GLY A 50 1.063 4.517 -15.305 1.00 0.86 C ATOM 810 C GLY A 50 1.322 3.471 -14.254 1.00 0.77 C ATOM 811 O GLY A 50 2.142 2.571 -14.457 1.00 1.01 O ATOM 812 H GLY A 50 -0.426 5.674 -14.375 1.00 0.75 H ATOM 813 HA2 GLY A 50 1.173 4.052 -16.276 1.00 1.04 H ATOM 814 HA3 GLY A 50 1.819 5.282 -15.211 1.00 0.98 H ATOM 815 N GLY A 51 0.631 3.579 -13.131 1.00 0.58 N ATOM 816 CA GLY A 51 0.824 2.631 -12.064 1.00 0.60 C ATOM 817 C GLY A 51 2.064 2.954 -11.263 1.00 0.55 C ATOM 818 O GLY A 51 3.069 2.247 -11.341 1.00 0.62 O ATOM 819 H GLY A 51 -0.009 4.306 -12.997 1.00 0.61 H ATOM 820 HA2 GLY A 51 -0.036 2.672 -11.420 1.00 0.62 H ATOM 821 HA3 GLY A 51 0.911 1.632 -12.469 1.00 0.73 H ATOM 822 N ARG A 52 2.000 4.026 -10.497 1.00 0.49 N ATOM 823 CA ARG A 52 3.154 4.489 -9.737 1.00 0.50 C ATOM 824 C ARG A 52 2.700 5.389 -8.591 1.00 0.55 C ATOM 825 O ARG A 52 1.913 6.294 -8.798 1.00 0.69 O ATOM 826 CB ARG A 52 4.099 5.240 -10.681 1.00 0.61 C ATOM 827 CG ARG A 52 3.374 6.276 -11.523 1.00 1.38 C ATOM 828 CD ARG A 52 4.303 7.038 -12.446 1.00 2.00 C ATOM 829 NE ARG A 52 3.598 8.133 -13.111 1.00 2.60 N ATOM 830 CZ ARG A 52 4.012 9.399 -13.106 1.00 3.32 C ATOM 831 NH1 ARG A 52 5.177 9.719 -12.554 1.00 3.64 N ATOM 832 NH2 ARG A 52 3.270 10.344 -13.677 1.00 4.09 N ATOM 833 H ARG A 52 1.154 4.534 -10.442 1.00 0.51 H ATOM 834 HA ARG A 52 3.671 3.628 -9.329 1.00 0.52 H ATOM 835 HB2 ARG A 52 4.875 5.679 -10.117 1.00 1.06 H ATOM 836 HB3 ARG A 52 4.538 4.518 -11.355 1.00 1.38 H ATOM 837 HG2 ARG A 52 2.613 5.799 -12.118 1.00 1.95 H ATOM 838 HG3 ARG A 52 2.932 6.985 -10.852 1.00 1.76 H ATOM 839 HD2 ARG A 52 5.144 7.394 -11.904 1.00 2.46 H ATOM 840 HD3 ARG A 52 4.650 6.353 -13.206 1.00 2.24 H ATOM 841 HE ARG A 52 2.769 7.912 -13.581 1.00 2.81 H ATOM 842 HH11 ARG A 52 5.768 9.038 -12.137 1.00 3.41 H ATOM 843 HH12 ARG A 52 5.473 10.677 -12.554 1.00 4.35 H ATOM 844 HH21 ARG A 52 2.398 10.106 -14.111 1.00 4.25 H ATOM 845 HH22 ARG A 52 3.578 11.298 -13.675 1.00 4.71 H ATOM 846 N TRP A 53 3.188 5.142 -7.386 1.00 0.61 N ATOM 847 CA TRP A 53 2.700 5.865 -6.208 1.00 0.67 C ATOM 848 C TRP A 53 3.468 7.172 -6.004 1.00 0.79 C ATOM 849 O TRP A 53 4.675 7.148 -5.781 1.00 1.04 O ATOM 850 CB TRP A 53 2.850 5.008 -4.948 1.00 0.88 C ATOM 851 CG TRP A 53 2.121 3.691 -4.968 1.00 0.82 C ATOM 852 CD1 TRP A 53 2.175 2.728 -5.933 1.00 0.71 C ATOM 853 CD2 TRP A 53 1.263 3.180 -3.942 1.00 1.10 C ATOM 854 NE1 TRP A 53 1.389 1.660 -5.578 1.00 0.94 N ATOM 855 CE2 TRP A 53 0.821 1.913 -4.359 1.00 1.20 C ATOM 856 CE3 TRP A 53 0.822 3.675 -2.712 1.00 1.38 C ATOM 857 CZ2 TRP A 53 -0.043 1.134 -3.590 1.00 1.58 C ATOM 858 CZ3 TRP A 53 -0.032 2.902 -1.949 1.00 1.72 C ATOM 859 CH2 TRP A 53 -0.458 1.644 -2.390 1.00 1.82 C ATOM 860 H TRP A 53 3.920 4.489 -7.283 1.00 0.70 H ATOM 861 HA TRP A 53 1.661 6.075 -6.344 1.00 0.60 H ATOM 862 HB2 TRP A 53 3.871 4.800 -4.816 1.00 1.05 H ATOM 863 HB3 TRP A 53 2.487 5.574 -4.101 1.00 1.16 H ATOM 864 HD1 TRP A 53 2.744 2.799 -6.842 1.00 0.63 H ATOM 865 HE1 TRP A 53 1.258 0.852 -6.095 1.00 1.01 H ATOM 866 HE3 TRP A 53 1.144 4.638 -2.373 1.00 1.39 H ATOM 867 HZ2 TRP A 53 -0.380 0.161 -3.918 1.00 1.72 H ATOM 868 HZ3 TRP A 53 -0.385 3.267 -0.998 1.00 1.95 H ATOM 869 HH2 TRP A 53 -1.126 1.075 -1.762 1.00 2.13 H ATOM 870 N TYR A 54 2.764 8.303 -6.077 1.00 0.69 N ATOM 871 CA TYR A 54 3.367 9.624 -5.848 1.00 0.88 C ATOM 872 C TYR A 54 2.349 10.577 -5.276 1.00 0.65 C ATOM 873 O TYR A 54 1.158 10.439 -5.534 1.00 0.65 O ATOM 874 CB TYR A 54 3.868 10.255 -7.137 1.00 1.24 C ATOM 875 CG TYR A 54 4.930 9.472 -7.828 1.00 1.03 C ATOM 876 CD1 TYR A 54 4.589 8.511 -8.759 1.00 0.97 C ATOM 877 CD2 TYR A 54 6.269 9.706 -7.556 1.00 1.31 C ATOM 878 CE1 TYR A 54 5.575 7.793 -9.412 1.00 1.28 C ATOM 879 CE2 TYR A 54 7.257 8.992 -8.203 1.00 1.72 C ATOM 880 CZ TYR A 54 6.905 8.037 -9.131 1.00 1.72 C ATOM 881 OH TYR A 54 7.888 7.322 -9.781 1.00 2.29 O ATOM 882 H TYR A 54 1.809 8.258 -6.311 1.00 0.59 H ATOM 883 HA TYR A 54 4.187 9.523 -5.159 1.00 1.12 H ATOM 884 HB2 TYR A 54 3.036 10.368 -7.825 1.00 1.72 H ATOM 885 HB3 TYR A 54 4.270 11.241 -6.919 1.00 1.73 H ATOM 886 HD1 TYR A 54 3.547 8.319 -8.979 1.00 0.98 H ATOM 887 HD2 TYR A 54 6.542 10.456 -6.826 1.00 1.40 H ATOM 888 HE1 TYR A 54 5.337 7.078 -10.104 1.00 1.35 H ATOM 889 HE2 TYR A 54 8.296 9.189 -7.988 1.00 2.13 H ATOM 890 HH TYR A 54 7.953 7.614 -10.696 1.00 2.56 H ATOM 891 N GLU A 55 2.806 11.577 -4.547 1.00 0.56 N ATOM 892 CA GLU A 55 1.890 12.589 -4.056 1.00 0.50 C ATOM 893 C GLU A 55 2.393 13.975 -4.411 1.00 0.51 C ATOM 894 O GLU A 55 3.504 14.124 -4.892 1.00 0.60 O ATOM 895 CB GLU A 55 1.659 12.424 -2.561 1.00 0.63 C ATOM 896 CG GLU A 55 1.009 11.096 -2.247 1.00 0.86 C ATOM 897 CD GLU A 55 0.469 11.003 -0.848 1.00 1.62 C ATOM 898 OE1 GLU A 55 -0.682 11.412 -0.636 1.00 2.40 O ATOM 899 OE2 GLU A 55 1.195 10.528 0.041 1.00 2.04 O ATOM 900 H GLU A 55 3.764 11.636 -4.321 1.00 0.61 H ATOM 901 HA GLU A 55 0.946 12.478 -4.556 1.00 0.53 H ATOM 902 HB2 GLU A 55 2.601 12.487 -2.039 1.00 0.70 H ATOM 903 HB3 GLU A 55 1.012 13.192 -2.226 1.00 0.70 H ATOM 904 HG2 GLU A 55 0.204 11.004 -2.893 1.00 1.28 H ATOM 905 HG3 GLU A 55 1.716 10.297 -2.409 1.00 0.95 H ATOM 906 N ILE A 56 1.575 14.986 -4.201 1.00 0.52 N ATOM 907 CA ILE A 56 1.923 16.324 -4.645 1.00 0.62 C ATOM 908 C ILE A 56 2.701 17.085 -3.576 1.00 0.63 C ATOM 909 O ILE A 56 2.129 17.585 -2.611 1.00 0.69 O ATOM 910 CB ILE A 56 0.662 17.131 -5.024 1.00 0.76 C ATOM 911 CG1 ILE A 56 -0.238 16.321 -5.963 1.00 0.83 C ATOM 912 CG2 ILE A 56 1.050 18.453 -5.671 1.00 0.93 C ATOM 913 CD1 ILE A 56 0.433 15.920 -7.262 1.00 0.93 C ATOM 914 H ILE A 56 0.694 14.817 -3.831 1.00 0.54 H ATOM 915 HA ILE A 56 2.539 16.241 -5.538 1.00 0.65 H ATOM 916 HB ILE A 56 0.118 17.354 -4.124 1.00 0.77 H ATOM 917 HG12 ILE A 56 -0.562 15.420 -5.468 1.00 0.87 H ATOM 918 HG13 ILE A 56 -1.109 16.912 -6.213 1.00 1.01 H ATOM 919 HG21 ILE A 56 1.558 19.076 -4.951 1.00 1.29 H ATOM 920 HG22 ILE A 56 0.161 18.967 -6.013 1.00 1.57 H ATOM 921 HG23 ILE A 56 1.702 18.273 -6.513 1.00 1.33 H ATOM 922 HD11 ILE A 56 -0.274 15.376 -7.872 1.00 1.33 H ATOM 923 HD12 ILE A 56 1.282 15.288 -7.058 1.00 1.41 H ATOM 924 HD13 ILE A 56 0.756 16.799 -7.796 1.00 1.39 H ATOM 925 N ASP A 57 4.012 17.146 -3.759 1.00 0.71 N ATOM 926 CA ASP A 57 4.871 18.026 -2.968 1.00 0.77 C ATOM 927 C ASP A 57 4.685 19.474 -3.431 1.00 0.89 C ATOM 928 O ASP A 57 4.159 19.724 -4.516 1.00 0.93 O ATOM 929 CB ASP A 57 6.341 17.604 -3.129 1.00 0.86 C ATOM 930 CG ASP A 57 7.292 18.324 -2.188 1.00 0.98 C ATOM 931 OD1 ASP A 57 7.568 19.519 -2.405 1.00 1.14 O ATOM 932 OD2 ASP A 57 7.758 17.699 -1.217 1.00 1.14 O ATOM 933 H ASP A 57 4.414 16.629 -4.483 1.00 0.80 H ATOM 934 HA ASP A 57 4.598 17.934 -1.942 1.00 0.76 H ATOM 935 HB2 ASP A 57 6.429 16.575 -2.939 1.00 0.85 H ATOM 936 HB3 ASP A 57 6.662 17.799 -4.143 1.00 0.91 H ATOM 937 N GLU A 58 5.115 20.422 -2.616 1.00 1.00 N ATOM 938 CA GLU A 58 5.018 21.831 -2.964 1.00 1.17 C ATOM 939 C GLU A 58 5.947 22.164 -4.132 1.00 1.28 C ATOM 940 O GLU A 58 5.681 23.087 -4.904 1.00 1.44 O ATOM 941 CB GLU A 58 5.345 22.709 -1.750 1.00 1.28 C ATOM 942 CG GLU A 58 6.653 22.346 -1.065 1.00 1.29 C ATOM 943 CD GLU A 58 6.998 23.291 0.066 1.00 1.48 C ATOM 944 OE1 GLU A 58 6.547 23.050 1.204 1.00 1.50 O ATOM 945 OE2 GLU A 58 7.715 24.282 -0.176 1.00 1.73 O ATOM 946 H GLU A 58 5.502 20.164 -1.763 1.00 0.99 H ATOM 947 HA GLU A 58 3.999 22.034 -3.269 1.00 1.18 H ATOM 948 HB2 GLU A 58 5.394 23.745 -2.063 1.00 1.43 H ATOM 949 HB3 GLU A 58 4.549 22.603 -1.029 1.00 1.27 H ATOM 950 HG2 GLU A 58 6.577 21.354 -0.658 1.00 1.16 H ATOM 951 HG3 GLU A 58 7.451 22.377 -1.794 1.00 1.38 H ATOM 952 N GLN A 59 7.021 21.395 -4.269 1.00 1.24 N ATOM 953 CA GLN A 59 7.982 21.607 -5.343 1.00 1.38 C ATOM 954 C GLN A 59 7.691 20.681 -6.523 1.00 1.31 C ATOM 955 O GLN A 59 8.354 20.755 -7.559 1.00 1.45 O ATOM 956 CB GLN A 59 9.410 21.382 -4.833 1.00 1.50 C ATOM 957 CG GLN A 59 9.735 19.927 -4.527 1.00 1.45 C ATOM 958 CD GLN A 59 10.540 19.758 -3.249 1.00 1.59 C ATOM 959 OE1 GLN A 59 11.342 18.835 -3.120 1.00 1.94 O ATOM 960 NE2 GLN A 59 10.319 20.641 -2.288 1.00 1.52 N ATOM 961 H GLN A 59 7.186 20.665 -3.637 1.00 1.15 H ATOM 962 HA GLN A 59 7.905 22.632 -5.690 1.00 1.48 H ATOM 963 HB2 GLN A 59 10.093 21.716 -5.605 1.00 1.62 H ATOM 964 HB3 GLN A 59 9.553 21.998 -3.972 1.00 1.56 H ATOM 965 HG2 GLN A 59 8.825 19.354 -4.432 1.00 1.28 H ATOM 966 HG3 GLN A 59 10.317 19.528 -5.346 1.00 1.54 H ATOM 967 HE21 GLN A 59 9.657 21.348 -2.398 1.00 1.53 H ATOM 968 HE22 GLN A 59 10.850 20.546 -1.470 1.00 1.63 H ATOM 969 N GLY A 60 6.695 19.814 -6.368 1.00 1.14 N ATOM 970 CA GLY A 60 6.370 18.869 -7.421 1.00 1.12 C ATOM 971 C GLY A 60 5.670 17.633 -6.895 1.00 0.97 C ATOM 972 O GLY A 60 4.545 17.710 -6.406 1.00 0.92 O ATOM 973 H GLY A 60 6.162 19.814 -5.555 1.00 1.06 H ATOM 974 HA2 GLY A 60 5.716 19.358 -8.130 1.00 1.18 H ATOM 975 HA3 GLY A 60 7.277 18.569 -7.937 1.00 1.20 H ATOM 976 N GLU A 61 6.331 16.488 -6.989 1.00 0.97 N ATOM 977 CA GLU A 61 5.761 15.246 -6.491 1.00 0.87 C ATOM 978 C GLU A 61 6.582 14.717 -5.326 1.00 0.86 C ATOM 979 O GLU A 61 7.776 14.438 -5.474 1.00 1.00 O ATOM 980 CB GLU A 61 5.695 14.165 -7.578 1.00 1.00 C ATOM 981 CG GLU A 61 5.113 14.628 -8.900 1.00 1.12 C ATOM 982 CD GLU A 61 6.192 14.932 -9.915 1.00 1.33 C ATOM 983 OE1 GLU A 61 6.914 13.994 -10.316 1.00 1.72 O ATOM 984 OE2 GLU A 61 6.329 16.104 -10.317 1.00 1.63 O ATOM 985 H GLU A 61 7.225 16.466 -7.401 1.00 1.08 H ATOM 986 HA GLU A 61 4.756 15.439 -6.159 1.00 0.79 H ATOM 987 HB2 GLU A 61 6.693 13.775 -7.753 1.00 1.28 H ATOM 988 HB3 GLU A 61 5.077 13.358 -7.211 1.00 1.02 H ATOM 989 HG2 GLU A 61 4.486 13.841 -9.293 1.00 1.29 H ATOM 990 HG3 GLU A 61 4.516 15.518 -8.748 1.00 1.38 H ATOM 991 N GLU A 62 5.951 14.597 -4.168 1.00 0.77 N ATOM 992 CA GLU A 62 6.567 13.969 -3.033 1.00 0.84 C ATOM 993 C GLU A 62 6.557 12.452 -3.227 1.00 0.80 C ATOM 994 O GLU A 62 6.080 11.937 -4.246 1.00 0.72 O ATOM 995 CB GLU A 62 5.854 14.377 -1.737 1.00 0.93 C ATOM 996 CG GLU A 62 6.798 14.785 -0.600 1.00 1.34 C ATOM 997 CD GLU A 62 7.653 13.650 -0.063 1.00 1.60 C ATOM 998 OE1 GLU A 62 7.110 12.744 0.597 1.00 2.12 O ATOM 999 OE2 GLU A 62 8.881 13.652 -0.310 1.00 1.91 O ATOM 1000 H GLU A 62 5.019 14.880 -4.096 1.00 0.70 H ATOM 1001 HA GLU A 62 7.602 14.297 -2.990 1.00 0.96 H ATOM 1002 HB2 GLU A 62 5.205 15.218 -1.936 1.00 0.97 H ATOM 1003 HB3 GLU A 62 5.241 13.561 -1.386 1.00 1.22 H ATOM 1004 HG2 GLU A 62 7.464 15.532 -0.982 1.00 1.58 H ATOM 1005 HG3 GLU A 62 6.233 15.205 0.181 1.00 1.85 H ATOM 1006 N HIS A 63 6.965 11.786 -2.171 1.00 1.08 N ATOM 1007 CA HIS A 63 7.458 10.414 -2.146 1.00 1.14 C ATOM 1008 C HIS A 63 6.864 9.456 -3.184 1.00 1.07 C ATOM 1009 O HIS A 63 5.650 9.380 -3.387 1.00 1.50 O ATOM 1010 CB HIS A 63 7.169 9.858 -0.758 1.00 1.70 C ATOM 1011 CG HIS A 63 5.710 9.626 -0.514 1.00 2.03 C ATOM 1012 ND1 HIS A 63 5.208 8.426 -0.069 1.00 2.45 N ATOM 1013 CD2 HIS A 63 4.640 10.443 -0.699 1.00 2.16 C ATOM 1014 CE1 HIS A 63 3.896 8.507 0.011 1.00 2.84 C ATOM 1015 NE2 HIS A 63 3.530 9.714 -0.363 1.00 2.67 N ATOM 1016 H HIS A 63 6.893 12.207 -1.317 1.00 1.35 H ATOM 1017 HA HIS A 63 8.528 10.456 -2.266 1.00 1.14 H ATOM 1018 HB2 HIS A 63 7.680 8.912 -0.643 1.00 1.84 H ATOM 1019 HB3 HIS A 63 7.532 10.541 -0.010 1.00 1.89 H ATOM 1020 HD1 HIS A 63 5.736 7.637 0.160 1.00 2.51 H ATOM 1021 HD2 HIS A 63 4.659 11.468 -1.041 1.00 1.96 H ATOM 1022 HE1 HIS A 63 3.234 7.717 0.331 1.00 3.26 H ATOM 1023 HE2 HIS A 63 2.674 10.097 -0.157 1.00 2.93 H ATOM 1024 N THR A 64 7.758 8.714 -3.822 1.00 0.86 N ATOM 1025 CA THR A 64 7.376 7.541 -4.578 1.00 1.00 C ATOM 1026 C THR A 64 7.129 6.390 -3.603 1.00 1.30 C ATOM 1027 O THR A 64 7.990 6.070 -2.781 1.00 2.19 O ATOM 1028 CB THR A 64 8.463 7.153 -5.611 1.00 1.50 C ATOM 1029 OG1 THR A 64 8.120 5.924 -6.268 1.00 2.32 O ATOM 1030 CG2 THR A 64 9.836 7.028 -4.951 1.00 1.99 C ATOM 1031 H THR A 64 8.703 8.979 -3.784 1.00 0.94 H ATOM 1032 HA THR A 64 6.475 7.768 -5.113 1.00 1.50 H ATOM 1033 HB THR A 64 8.525 7.930 -6.336 1.00 1.82 H ATOM 1034 HG1 THR A 64 8.554 5.885 -7.124 1.00 2.55 H ATOM 1035 HG21 THR A 64 9.771 6.579 -3.979 1.00 2.53 H ATOM 1036 HG22 THR A 64 10.275 8.009 -4.859 1.00 2.34 H ATOM 1037 HG23 THR A 64 10.471 6.421 -5.581 1.00 2.30 H ATOM 1038 N PHE A 65 5.950 5.790 -3.661 1.00 1.60 N ATOM 1039 CA PHE A 65 5.576 4.785 -2.673 1.00 2.46 C ATOM 1040 C PHE A 65 5.300 3.427 -3.324 1.00 2.10 C ATOM 1041 O PHE A 65 4.770 2.519 -2.688 1.00 2.82 O ATOM 1042 CB PHE A 65 4.353 5.270 -1.881 1.00 3.54 C ATOM 1043 CG PHE A 65 4.187 4.614 -0.537 1.00 4.43 C ATOM 1044 CD1 PHE A 65 5.052 4.896 0.507 1.00 5.05 C ATOM 1045 CD2 PHE A 65 3.167 3.698 -0.325 1.00 4.94 C ATOM 1046 CE1 PHE A 65 4.903 4.283 1.736 1.00 6.14 C ATOM 1047 CE2 PHE A 65 3.015 3.080 0.902 1.00 6.01 C ATOM 1048 CZ PHE A 65 3.870 3.426 1.957 1.00 6.59 C ATOM 1049 H PHE A 65 5.323 6.025 -4.370 1.00 1.86 H ATOM 1050 HA PHE A 65 6.398 4.648 -1.979 1.00 2.96 H ATOM 1051 HB2 PHE A 65 4.448 6.336 -1.709 1.00 3.77 H ATOM 1052 HB3 PHE A 65 3.460 5.098 -2.446 1.00 3.93 H ATOM 1053 HD1 PHE A 65 5.881 5.567 0.345 1.00 4.82 H ATOM 1054 HD2 PHE A 65 2.504 3.460 -1.113 1.00 4.65 H ATOM 1055 HE1 PHE A 65 5.561 4.548 2.549 1.00 6.74 H ATOM 1056 HE2 PHE A 65 2.228 2.379 1.046 1.00 6.49 H ATOM 1057 HZ PHE A 65 3.761 2.963 2.915 1.00 7.51 H ATOM 1058 N GLY A 66 5.673 3.278 -4.592 1.00 1.21 N ATOM 1059 CA GLY A 66 5.529 1.987 -5.232 1.00 0.92 C ATOM 1060 C GLY A 66 5.659 2.032 -6.741 1.00 0.77 C ATOM 1061 O GLY A 66 5.227 2.991 -7.385 1.00 0.92 O ATOM 1062 H GLY A 66 6.053 4.030 -5.097 1.00 1.08 H ATOM 1063 HA2 GLY A 66 6.283 1.336 -4.836 1.00 0.96 H ATOM 1064 HA3 GLY A 66 4.557 1.572 -4.989 1.00 0.94 H ATOM 1065 N LEU A 67 6.259 0.984 -7.298 1.00 0.64 N ATOM 1066 CA LEU A 67 6.338 0.807 -8.748 1.00 0.66 C ATOM 1067 C LEU A 67 5.344 -0.269 -9.166 1.00 0.52 C ATOM 1068 O LEU A 67 5.608 -1.459 -9.022 1.00 0.56 O ATOM 1069 CB LEU A 67 7.762 0.427 -9.215 1.00 0.80 C ATOM 1070 CG LEU A 67 8.417 -0.772 -8.502 1.00 0.73 C ATOM 1071 CD1 LEU A 67 9.375 -1.511 -9.427 1.00 1.06 C ATOM 1072 CD2 LEU A 67 9.171 -0.311 -7.275 1.00 1.09 C ATOM 1073 H LEU A 67 6.619 0.277 -6.721 1.00 0.64 H ATOM 1074 HA LEU A 67 6.062 1.740 -9.232 1.00 0.79 H ATOM 1075 HB2 LEU A 67 7.714 0.215 -10.279 1.00 1.16 H ATOM 1076 HB3 LEU A 67 8.394 1.296 -9.085 1.00 1.16 H ATOM 1077 HG LEU A 67 7.667 -1.458 -8.199 1.00 1.21 H ATOM 1078 HD11 LEU A 67 9.807 -2.357 -8.908 1.00 1.58 H ATOM 1079 HD12 LEU A 67 10.165 -0.844 -9.746 1.00 1.47 H ATOM 1080 HD13 LEU A 67 8.836 -1.866 -10.294 1.00 1.64 H ATOM 1081 HD21 LEU A 67 9.201 -1.112 -6.563 1.00 1.57 H ATOM 1082 HD22 LEU A 67 8.711 0.556 -6.825 1.00 1.70 H ATOM 1083 HD23 LEU A 67 10.170 -0.078 -7.555 1.00 1.48 H ATOM 1084 N ILE A 68 4.185 0.144 -9.651 1.00 0.45 N ATOM 1085 CA ILE A 68 3.123 -0.804 -9.936 1.00 0.41 C ATOM 1086 C ILE A 68 3.396 -1.567 -11.228 1.00 0.42 C ATOM 1087 O ILE A 68 3.759 -0.990 -12.255 1.00 0.50 O ATOM 1088 CB ILE A 68 1.737 -0.124 -10.005 1.00 0.48 C ATOM 1089 CG1 ILE A 68 1.470 0.673 -8.725 1.00 0.49 C ATOM 1090 CG2 ILE A 68 0.647 -1.161 -10.204 1.00 0.63 C ATOM 1091 CD1 ILE A 68 0.160 1.433 -8.741 1.00 0.59 C ATOM 1092 H ILE A 68 4.044 1.102 -9.838 1.00 0.49 H ATOM 1093 HA ILE A 68 3.093 -1.504 -9.117 1.00 0.41 H ATOM 1094 HB ILE A 68 1.716 0.513 -10.842 1.00 0.52 H ATOM 1095 HG12 ILE A 68 1.453 0.001 -7.890 1.00 0.53 H ATOM 1096 HG13 ILE A 68 2.260 1.397 -8.579 1.00 0.49 H ATOM 1097 HG21 ILE A 68 0.721 -1.916 -9.439 1.00 1.28 H ATOM 1098 HG22 ILE A 68 0.754 -1.618 -11.172 1.00 1.21 H ATOM 1099 HG23 ILE A 68 -0.324 -0.710 -10.151 1.00 1.13 H ATOM 1100 HD11 ILE A 68 -0.668 0.744 -8.751 1.00 1.29 H ATOM 1101 HD12 ILE A 68 0.109 2.065 -9.592 1.00 1.10 H ATOM 1102 HD13 ILE A 68 0.100 2.034 -7.850 1.00 1.05 H ATOM 1103 N ARG A 69 3.231 -2.872 -11.143 1.00 0.42 N ATOM 1104 CA ARG A 69 3.481 -3.783 -12.247 1.00 0.48 C ATOM 1105 C ARG A 69 2.167 -4.113 -12.946 1.00 0.44 C ATOM 1106 O ARG A 69 2.139 -4.460 -14.125 1.00 0.53 O ATOM 1107 CB ARG A 69 4.103 -5.071 -11.703 1.00 0.59 C ATOM 1108 CG ARG A 69 5.065 -4.838 -10.545 1.00 1.09 C ATOM 1109 CD ARG A 69 6.375 -4.234 -11.010 1.00 0.55 C ATOM 1110 NE ARG A 69 7.238 -5.237 -11.630 1.00 1.19 N ATOM 1111 CZ ARG A 69 8.079 -4.988 -12.631 1.00 1.41 C ATOM 1112 NH1 ARG A 69 8.159 -3.767 -13.150 1.00 1.67 N ATOM 1113 NH2 ARG A 69 8.834 -5.960 -13.120 1.00 2.16 N ATOM 1114 H ARG A 69 2.895 -3.245 -10.303 1.00 0.42 H ATOM 1115 HA ARG A 69 4.163 -3.327 -12.954 1.00 0.56 H ATOM 1116 HB2 ARG A 69 3.318 -5.728 -11.345 1.00 0.61 H ATOM 1117 HB3 ARG A 69 4.634 -5.568 -12.501 1.00 0.70 H ATOM 1118 HG2 ARG A 69 4.624 -4.191 -9.808 1.00 1.71 H ATOM 1119 HG3 ARG A 69 5.268 -5.787 -10.085 1.00 1.87 H ATOM 1120 HD2 ARG A 69 6.156 -3.436 -11.702 1.00 0.81 H ATOM 1121 HD3 ARG A 69 6.884 -3.824 -10.149 1.00 0.82 H ATOM 1122 HE ARG A 69 7.198 -6.151 -11.273 1.00 1.93 H ATOM 1123 HH11 ARG A 69 7.604 -3.015 -12.812 1.00 1.76 H ATOM 1124 HH12 ARG A 69 8.795 -3.593 -13.906 1.00 2.24 H ATOM 1125 HH21 ARG A 69 8.774 -6.884 -12.738 1.00 2.70 H ATOM 1126 HH22 ARG A 69 9.469 -5.775 -13.873 1.00 2.44 H ATOM 1127 N LYS A 70 1.078 -3.992 -12.198 1.00 0.37 N ATOM 1128 CA LYS A 70 -0.239 -4.361 -12.682 1.00 0.37 C ATOM 1129 C LYS A 70 -1.299 -3.554 -11.961 1.00 0.35 C ATOM 1130 O LYS A 70 -1.457 -3.665 -10.744 1.00 0.37 O ATOM 1131 CB LYS A 70 -0.489 -5.860 -12.479 1.00 0.44 C ATOM 1132 CG LYS A 70 -1.961 -6.252 -12.494 1.00 0.45 C ATOM 1133 CD LYS A 70 -2.148 -7.756 -12.347 1.00 0.64 C ATOM 1134 CE LYS A 70 -1.870 -8.491 -13.648 1.00 1.01 C ATOM 1135 NZ LYS A 70 -3.021 -8.415 -14.588 1.00 1.20 N ATOM 1136 H LYS A 70 1.152 -3.692 -11.268 1.00 0.38 H ATOM 1137 HA LYS A 70 -0.288 -4.144 -13.745 1.00 0.41 H ATOM 1138 HB2 LYS A 70 0.022 -6.403 -13.258 1.00 0.62 H ATOM 1139 HB3 LYS A 70 -0.085 -6.147 -11.538 1.00 0.58 H ATOM 1140 HG2 LYS A 70 -2.463 -5.780 -11.663 1.00 0.53 H ATOM 1141 HG3 LYS A 70 -2.409 -5.920 -13.421 1.00 0.64 H ATOM 1142 HD2 LYS A 70 -1.484 -8.135 -11.589 1.00 1.34 H ATOM 1143 HD3 LYS A 70 -3.168 -7.948 -12.053 1.00 1.30 H ATOM 1144 HE2 LYS A 70 -0.995 -8.072 -14.128 1.00 1.71 H ATOM 1145 HE3 LYS A 70 -1.681 -9.530 -13.418 1.00 1.60 H ATOM 1146 HZ1 LYS A 70 -3.869 -8.840 -14.158 1.00 1.65 H ATOM 1147 HZ2 LYS A 70 -2.799 -8.931 -15.463 1.00 1.68 H ATOM 1148 HZ3 LYS A 70 -3.226 -7.424 -14.829 1.00 1.59 H ATOM 1149 N VAL A 71 -2.001 -2.731 -12.712 1.00 0.36 N ATOM 1150 CA VAL A 71 -3.081 -1.933 -12.166 1.00 0.39 C ATOM 1151 C VAL A 71 -4.396 -2.487 -12.699 1.00 0.37 C ATOM 1152 O VAL A 71 -4.942 -1.978 -13.676 1.00 0.44 O ATOM 1153 CB VAL A 71 -2.941 -0.438 -12.560 1.00 0.51 C ATOM 1154 CG1 VAL A 71 -3.747 0.442 -11.631 1.00 0.87 C ATOM 1155 CG2 VAL A 71 -1.486 0.009 -12.569 1.00 0.86 C ATOM 1156 H VAL A 71 -1.800 -2.649 -13.673 1.00 0.39 H ATOM 1157 HA VAL A 71 -3.080 -2.011 -11.082 1.00 0.40 H ATOM 1158 HB VAL A 71 -3.324 -0.296 -13.563 1.00 1.08 H ATOM 1159 HG11 VAL A 71 -3.664 1.475 -11.941 1.00 1.56 H ATOM 1160 HG12 VAL A 71 -3.377 0.339 -10.620 1.00 1.45 H ATOM 1161 HG13 VAL A 71 -4.786 0.145 -11.663 1.00 1.26 H ATOM 1162 HG21 VAL A 71 -1.155 0.199 -11.569 1.00 1.52 H ATOM 1163 HG22 VAL A 71 -1.410 0.924 -13.135 1.00 1.15 H ATOM 1164 HG23 VAL A 71 -0.851 -0.733 -13.029 1.00 1.56 H ATOM 1165 N ASP A 72 -4.886 -3.562 -12.081 1.00 0.34 N ATOM 1166 CA ASP A 72 -6.003 -4.304 -12.648 1.00 0.34 C ATOM 1167 C ASP A 72 -7.312 -3.966 -11.950 1.00 0.34 C ATOM 1168 O ASP A 72 -7.905 -4.830 -11.306 1.00 0.35 O ATOM 1169 CB ASP A 72 -5.734 -5.807 -12.556 1.00 0.39 C ATOM 1170 CG ASP A 72 -6.151 -6.555 -13.806 1.00 0.85 C ATOM 1171 OD1 ASP A 72 -7.332 -6.952 -13.909 1.00 1.22 O ATOM 1172 OD2 ASP A 72 -5.288 -6.768 -14.690 1.00 1.30 O ATOM 1173 H ASP A 72 -4.504 -3.850 -11.219 1.00 0.34 H ATOM 1174 HA ASP A 72 -6.106 -4.031 -13.694 1.00 0.36 H ATOM 1175 HB2 ASP A 72 -4.676 -5.967 -12.423 1.00 0.41 H ATOM 1176 HB3 ASP A 72 -6.249 -6.240 -11.717 1.00 0.64 H ATOM 1177 N GLU A 73 -7.721 -2.693 -12.069 1.00 0.37 N ATOM 1178 CA GLU A 73 -9.015 -2.188 -11.564 1.00 0.39 C ATOM 1179 C GLU A 73 -9.280 -2.627 -10.104 1.00 0.34 C ATOM 1180 O GLU A 73 -8.361 -3.077 -9.415 1.00 0.32 O ATOM 1181 CB GLU A 73 -10.152 -2.632 -12.512 1.00 0.49 C ATOM 1182 CG GLU A 73 -10.517 -4.106 -12.429 1.00 0.55 C ATOM 1183 CD GLU A 73 -11.686 -4.466 -13.315 1.00 0.81 C ATOM 1184 OE1 GLU A 73 -12.837 -4.159 -12.942 1.00 1.12 O ATOM 1185 OE2 GLU A 73 -11.463 -5.061 -14.390 1.00 0.92 O ATOM 1186 H GLU A 73 -7.129 -2.045 -12.516 1.00 0.40 H ATOM 1187 HA GLU A 73 -8.960 -1.109 -11.581 1.00 0.46 H ATOM 1188 HB2 GLU A 73 -11.023 -2.041 -12.349 1.00 0.54 H ATOM 1189 HB3 GLU A 73 -9.820 -2.444 -13.524 1.00 0.55 H ATOM 1190 HG2 GLU A 73 -9.680 -4.695 -12.751 1.00 0.56 H ATOM 1191 HG3 GLU A 73 -10.770 -4.360 -11.413 1.00 0.53 H ATOM 1192 N PRO A 74 -10.504 -2.414 -9.561 1.00 0.37 N ATOM 1193 CA PRO A 74 -10.915 -3.059 -8.310 1.00 0.41 C ATOM 1194 C PRO A 74 -10.896 -4.578 -8.440 1.00 0.45 C ATOM 1195 O PRO A 74 -11.917 -5.204 -8.729 1.00 0.76 O ATOM 1196 CB PRO A 74 -12.343 -2.558 -8.081 1.00 0.47 C ATOM 1197 CG PRO A 74 -12.433 -1.297 -8.864 1.00 0.44 C ATOM 1198 CD PRO A 74 -11.542 -1.490 -10.057 1.00 0.44 C ATOM 1199 HA PRO A 74 -10.288 -2.768 -7.496 1.00 0.43 H ATOM 1200 HB2 PRO A 74 -13.075 -3.275 -8.429 1.00 0.53 H ATOM 1201 HB3 PRO A 74 -12.484 -2.381 -7.034 1.00 0.54 H ATOM 1202 HG2 PRO A 74 -13.454 -1.133 -9.179 1.00 0.49 H ATOM 1203 HG3 PRO A 74 -12.086 -0.468 -8.266 1.00 0.47 H ATOM 1204 HD2 PRO A 74 -12.117 -1.935 -10.850 1.00 0.52 H ATOM 1205 HD3 PRO A 74 -11.114 -0.550 -10.371 1.00 0.50 H ATOM 1206 N ASP A 75 -9.719 -5.147 -8.241 1.00 0.35 N ATOM 1207 CA ASP A 75 -9.483 -6.573 -8.432 1.00 0.33 C ATOM 1208 C ASP A 75 -8.085 -6.928 -7.953 1.00 0.30 C ATOM 1209 O ASP A 75 -7.921 -7.582 -6.924 1.00 0.35 O ATOM 1210 CB ASP A 75 -9.617 -6.957 -9.908 1.00 0.37 C ATOM 1211 CG ASP A 75 -9.584 -8.456 -10.139 1.00 0.67 C ATOM 1212 OD1 ASP A 75 -8.476 -9.033 -10.213 1.00 1.12 O ATOM 1213 OD2 ASP A 75 -10.667 -9.073 -10.215 1.00 0.67 O ATOM 1214 H ASP A 75 -8.965 -4.579 -7.949 1.00 0.52 H ATOM 1215 HA ASP A 75 -10.197 -7.115 -7.844 1.00 0.37 H ATOM 1216 HB2 ASP A 75 -10.561 -6.591 -10.279 1.00 0.48 H ATOM 1217 HB3 ASP A 75 -8.835 -6.517 -10.483 1.00 0.49 H ATOM 1218 N THR A 76 -7.071 -6.473 -8.689 1.00 0.28 N ATOM 1219 CA THR A 76 -5.697 -6.807 -8.359 1.00 0.27 C ATOM 1220 C THR A 76 -4.727 -5.662 -8.606 1.00 0.29 C ATOM 1221 O THR A 76 -4.869 -4.896 -9.560 1.00 0.42 O ATOM 1222 CB THR A 76 -5.226 -8.031 -9.150 1.00 0.28 C ATOM 1223 OG1 THR A 76 -5.983 -8.162 -10.360 1.00 0.31 O ATOM 1224 CG2 THR A 76 -5.365 -9.288 -8.309 1.00 0.29 C ATOM 1225 H THR A 76 -7.239 -5.872 -9.449 1.00 0.31 H ATOM 1226 HA THR A 76 -5.659 -7.045 -7.307 1.00 0.26 H ATOM 1227 HB THR A 76 -4.179 -7.921 -9.410 1.00 0.31 H ATOM 1228 HG1 THR A 76 -6.858 -8.512 -10.182 1.00 0.40 H ATOM 1229 HG21 THR A 76 -4.628 -9.276 -7.525 1.00 1.09 H ATOM 1230 HG22 THR A 76 -5.206 -10.153 -8.935 1.00 1.06 H ATOM 1231 HG23 THR A 76 -6.356 -9.338 -7.876 1.00 1.01 H ATOM 1232 N LEU A 77 -3.735 -5.557 -7.733 1.00 0.23 N ATOM 1233 CA LEU A 77 -2.698 -4.548 -7.867 1.00 0.24 C ATOM 1234 C LEU A 77 -1.341 -5.155 -7.541 1.00 0.26 C ATOM 1235 O LEU A 77 -1.052 -5.455 -6.391 1.00 0.36 O ATOM 1236 CB LEU A 77 -2.946 -3.358 -6.927 1.00 0.26 C ATOM 1237 CG LEU A 77 -4.303 -2.654 -7.054 1.00 0.27 C ATOM 1238 CD1 LEU A 77 -5.384 -3.391 -6.277 1.00 0.88 C ATOM 1239 CD2 LEU A 77 -4.196 -1.224 -6.570 1.00 0.70 C ATOM 1240 H LEU A 77 -3.702 -6.169 -6.958 1.00 0.23 H ATOM 1241 HA LEU A 77 -2.688 -4.189 -8.882 1.00 0.24 H ATOM 1242 HB2 LEU A 77 -2.827 -3.694 -5.904 1.00 0.29 H ATOM 1243 HB3 LEU A 77 -2.168 -2.628 -7.128 1.00 0.30 H ATOM 1244 HG LEU A 77 -4.599 -2.630 -8.094 1.00 0.57 H ATOM 1245 HD11 LEU A 77 -4.942 -4.107 -5.596 1.00 1.52 H ATOM 1246 HD12 LEU A 77 -6.022 -3.915 -6.971 1.00 1.49 H ATOM 1247 HD13 LEU A 77 -5.988 -2.694 -5.712 1.00 1.36 H ATOM 1248 HD21 LEU A 77 -5.171 -0.758 -6.553 1.00 1.25 H ATOM 1249 HD22 LEU A 77 -3.550 -0.676 -7.237 1.00 1.41 H ATOM 1250 HD23 LEU A 77 -3.771 -1.213 -5.589 1.00 1.18 H ATOM 1251 N VAL A 78 -0.515 -5.358 -8.542 1.00 0.33 N ATOM 1252 CA VAL A 78 0.833 -5.844 -8.296 1.00 0.37 C ATOM 1253 C VAL A 78 1.770 -4.652 -8.234 1.00 0.37 C ATOM 1254 O VAL A 78 1.912 -3.935 -9.217 1.00 0.42 O ATOM 1255 CB VAL A 78 1.307 -6.821 -9.392 1.00 0.48 C ATOM 1256 CG1 VAL A 78 2.682 -7.386 -9.063 1.00 0.80 C ATOM 1257 CG2 VAL A 78 0.298 -7.940 -9.584 1.00 0.86 C ATOM 1258 H VAL A 78 -0.803 -5.175 -9.466 1.00 0.42 H ATOM 1259 HA VAL A 78 0.850 -6.368 -7.353 1.00 0.38 H ATOM 1260 HB VAL A 78 1.393 -6.280 -10.320 1.00 0.97 H ATOM 1261 HG11 VAL A 78 2.648 -7.885 -8.105 1.00 1.38 H ATOM 1262 HG12 VAL A 78 3.410 -6.589 -9.029 1.00 1.23 H ATOM 1263 HG13 VAL A 78 2.974 -8.097 -9.825 1.00 1.56 H ATOM 1264 HG21 VAL A 78 0.532 -8.473 -10.494 1.00 1.50 H ATOM 1265 HG22 VAL A 78 -0.704 -7.544 -9.656 1.00 1.47 H ATOM 1266 HG23 VAL A 78 0.355 -8.619 -8.760 1.00 1.36 H ATOM 1267 N ILE A 79 2.381 -4.408 -7.081 1.00 0.36 N ATOM 1268 CA ILE A 79 3.215 -3.217 -6.914 1.00 0.43 C ATOM 1269 C ILE A 79 4.599 -3.579 -6.389 1.00 0.46 C ATOM 1270 O ILE A 79 4.792 -4.653 -5.812 1.00 0.52 O ATOM 1271 CB ILE A 79 2.583 -2.161 -5.972 1.00 0.49 C ATOM 1272 CG1 ILE A 79 2.875 -2.483 -4.509 1.00 0.62 C ATOM 1273 CG2 ILE A 79 1.080 -2.081 -6.193 1.00 0.91 C ATOM 1274 CD1 ILE A 79 3.260 -1.270 -3.692 1.00 0.97 C ATOM 1275 H ILE A 79 2.276 -5.028 -6.324 1.00 0.35 H ATOM 1276 HA ILE A 79 3.352 -2.755 -7.873 1.00 0.47 H ATOM 1277 HB ILE A 79 3.007 -1.199 -6.228 1.00 0.76 H ATOM 1278 HG12 ILE A 79 1.986 -2.891 -4.053 1.00 0.99 H ATOM 1279 HG13 ILE A 79 3.662 -3.198 -4.394 1.00 0.68 H ATOM 1280 HG21 ILE A 79 0.679 -1.248 -5.632 1.00 1.35 H ATOM 1281 HG22 ILE A 79 0.609 -2.995 -5.858 1.00 1.45 H ATOM 1282 HG23 ILE A 79 0.870 -1.937 -7.241 1.00 1.51 H ATOM 1283 HD11 ILE A 79 4.148 -0.821 -4.110 1.00 1.58 H ATOM 1284 HD12 ILE A 79 3.452 -1.565 -2.675 1.00 1.34 H ATOM 1285 HD13 ILE A 79 2.453 -0.553 -3.711 1.00 1.56 H ATOM 1286 N GLY A 80 5.556 -2.693 -6.629 1.00 0.49 N ATOM 1287 CA GLY A 80 6.896 -2.873 -6.116 1.00 0.54 C ATOM 1288 C GLY A 80 7.245 -1.874 -5.022 1.00 0.53 C ATOM 1289 O GLY A 80 6.529 -0.895 -4.809 1.00 0.59 O ATOM 1290 H GLY A 80 5.354 -1.893 -7.148 1.00 0.51 H ATOM 1291 HA2 GLY A 80 7.004 -3.862 -5.717 1.00 0.59 H ATOM 1292 HA3 GLY A 80 7.597 -2.767 -6.914 1.00 0.59 H ATOM 1293 N TRP A 81 8.377 -2.118 -4.382 1.00 0.69 N ATOM 1294 CA TRP A 81 8.838 -1.370 -3.217 1.00 0.78 C ATOM 1295 C TRP A 81 9.148 0.096 -3.500 1.00 0.60 C ATOM 1296 O TRP A 81 9.786 0.434 -4.495 1.00 0.86 O ATOM 1297 CB TRP A 81 10.101 -2.023 -2.655 1.00 1.29 C ATOM 1298 CG TRP A 81 10.696 -1.250 -1.521 1.00 1.56 C ATOM 1299 CD1 TRP A 81 11.671 -0.295 -1.595 1.00 1.12 C ATOM 1300 CD2 TRP A 81 10.336 -1.356 -0.148 1.00 2.62 C ATOM 1301 NE1 TRP A 81 11.931 0.206 -0.344 1.00 1.61 N ATOM 1302 CE2 TRP A 81 11.127 -0.436 0.563 1.00 2.59 C ATOM 1303 CE3 TRP A 81 9.417 -2.143 0.552 1.00 3.68 C ATOM 1304 CZ2 TRP A 81 11.025 -0.285 1.939 1.00 3.57 C ATOM 1305 CZ3 TRP A 81 9.320 -1.988 1.919 1.00 4.67 C ATOM 1306 CH2 TRP A 81 10.119 -1.064 2.597 1.00 4.60 C ATOM 1307 H TRP A 81 8.942 -2.839 -4.716 1.00 0.86 H ATOM 1308 HA TRP A 81 8.064 -1.438 -2.464 1.00 0.99 H ATOM 1309 HB2 TRP A 81 9.848 -2.972 -2.295 1.00 1.57 H ATOM 1310 HB3 TRP A 81 10.841 -2.114 -3.436 1.00 1.43 H ATOM 1311 HD1 TRP A 81 12.122 0.015 -2.503 1.00 1.10 H ATOM 1312 HE1 TRP A 81 12.587 0.902 -0.133 1.00 1.47 H ATOM 1313 HE3 TRP A 81 8.792 -2.860 0.042 1.00 3.76 H ATOM 1314 HZ2 TRP A 81 11.646 0.384 2.482 1.00 3.56 H ATOM 1315 HZ3 TRP A 81 8.616 -2.585 2.479 1.00 5.52 H ATOM 1316 HH2 TRP A 81 10.009 -0.967 3.646 1.00 5.40 H ATOM 1317 N ARG A 82 8.747 0.929 -2.554 1.00 0.68 N ATOM 1318 CA ARG A 82 9.072 2.342 -2.507 1.00 0.97 C ATOM 1319 C ARG A 82 8.451 2.886 -1.226 1.00 1.08 C ATOM 1320 O ARG A 82 7.435 2.368 -0.770 1.00 1.77 O ATOM 1321 CB ARG A 82 8.555 3.096 -3.735 1.00 1.40 C ATOM 1322 CG ARG A 82 9.646 3.703 -4.607 1.00 2.24 C ATOM 1323 CD ARG A 82 9.764 2.984 -5.943 1.00 3.31 C ATOM 1324 NE ARG A 82 10.720 3.631 -6.844 1.00 4.24 N ATOM 1325 CZ ARG A 82 11.586 2.971 -7.615 1.00 5.33 C ATOM 1326 NH1 ARG A 82 11.647 1.646 -7.565 1.00 5.72 N ATOM 1327 NH2 ARG A 82 12.390 3.634 -8.433 1.00 6.31 N ATOM 1328 H ARG A 82 8.178 0.566 -1.831 1.00 0.87 H ATOM 1329 HA ARG A 82 10.150 2.426 -2.431 1.00 1.13 H ATOM 1330 HB2 ARG A 82 7.987 2.417 -4.336 1.00 1.48 H ATOM 1331 HB3 ARG A 82 7.916 3.880 -3.425 1.00 1.55 H ATOM 1332 HG2 ARG A 82 9.388 4.703 -4.793 1.00 2.37 H ATOM 1333 HG3 ARG A 82 10.601 3.665 -4.103 1.00 2.61 H ATOM 1334 HD2 ARG A 82 10.063 1.984 -5.750 1.00 3.68 H ATOM 1335 HD3 ARG A 82 8.792 2.978 -6.421 1.00 3.56 H ATOM 1336 HE ARG A 82 10.702 4.614 -6.894 1.00 4.31 H ATOM 1337 HH11 ARG A 82 11.089 1.140 -6.949 1.00 5.26 H ATOM 1338 HH12 ARG A 82 12.276 1.153 -8.171 1.00 6.65 H ATOM 1339 HH21 ARG A 82 12.350 4.634 -8.477 1.00 6.34 H ATOM 1340 HH22 ARG A 82 13.042 3.138 -9.012 1.00 7.16 H ATOM 1341 N LEU A 83 9.058 3.896 -0.637 1.00 0.98 N ATOM 1342 CA LEU A 83 8.668 4.323 0.703 1.00 1.04 C ATOM 1343 C LEU A 83 8.632 5.852 0.843 1.00 0.87 C ATOM 1344 O LEU A 83 8.550 6.573 -0.149 1.00 1.06 O ATOM 1345 CB LEU A 83 9.592 3.662 1.745 1.00 1.35 C ATOM 1346 CG LEU A 83 11.046 3.433 1.318 1.00 1.40 C ATOM 1347 CD1 LEU A 83 11.695 4.707 0.813 1.00 1.83 C ATOM 1348 CD2 LEU A 83 11.844 2.881 2.482 1.00 1.78 C ATOM 1349 H LEU A 83 9.757 4.387 -1.118 1.00 1.37 H ATOM 1350 HA LEU A 83 7.660 3.975 0.893 1.00 1.33 H ATOM 1351 HB2 LEU A 83 9.586 4.215 2.665 1.00 1.90 H ATOM 1352 HB3 LEU A 83 9.175 2.691 1.952 1.00 1.94 H ATOM 1353 HG LEU A 83 11.074 2.704 0.521 1.00 2.13 H ATOM 1354 HD11 LEU A 83 11.377 5.542 1.415 1.00 2.20 H ATOM 1355 HD12 LEU A 83 11.408 4.879 -0.207 1.00 2.21 H ATOM 1356 HD13 LEU A 83 12.765 4.626 0.858 1.00 2.31 H ATOM 1357 HD21 LEU A 83 12.861 2.701 2.204 1.00 2.24 H ATOM 1358 HD22 LEU A 83 11.399 1.975 2.810 1.00 2.09 H ATOM 1359 HD23 LEU A 83 11.801 3.563 3.301 1.00 2.35 H ATOM 1360 N ASN A 84 8.696 6.349 2.076 1.00 1.09 N ATOM 1361 CA ASN A 84 8.424 7.751 2.355 1.00 1.23 C ATOM 1362 C ASN A 84 9.710 8.552 2.389 1.00 1.77 C ATOM 1363 O ASN A 84 10.782 7.994 2.597 1.00 2.41 O ATOM 1364 CB ASN A 84 7.694 7.893 3.699 1.00 1.48 C ATOM 1365 CG ASN A 84 6.292 7.314 3.676 1.00 1.49 C ATOM 1366 OD1 ASN A 84 5.611 7.359 2.653 1.00 2.35 O ATOM 1367 ND2 ASN A 84 5.861 6.752 4.801 1.00 1.34 N ATOM 1368 H ASN A 84 8.929 5.777 2.832 1.00 1.43 H ATOM 1369 HA ASN A 84 7.787 8.150 1.571 1.00 1.53 H ATOM 1370 HB2 ASN A 84 8.266 7.381 4.461 1.00 2.00 H ATOM 1371 HB3 ASN A 84 7.619 8.941 3.960 1.00 2.14 H ATOM 1372 HD21 ASN A 84 6.445 6.757 5.595 1.00 1.51 H ATOM 1373 HD22 ASN A 84 5.014 6.285 4.764 1.00 1.68 H ATOM 1374 N GLY A 85 9.604 9.862 2.180 1.00 2.31 N ATOM 1375 CA GLY A 85 10.760 10.735 2.311 1.00 3.10 C ATOM 1376 C GLY A 85 11.168 10.896 3.762 1.00 3.04 C ATOM 1377 O GLY A 85 10.977 11.953 4.357 1.00 3.66 O ATOM 1378 H GLY A 85 8.736 10.251 1.928 1.00 2.57 H ATOM 1379 HA2 GLY A 85 11.591 10.322 1.752 1.00 3.56 H ATOM 1380 HA3 GLY A 85 10.517 11.702 1.905 1.00 3.74 H ATOM 1381 N PHE A 86 11.702 9.829 4.327 1.00 2.67 N ATOM 1382 CA PHE A 86 12.060 9.778 5.734 1.00 3.18 C ATOM 1383 C PHE A 86 13.488 9.243 5.848 1.00 3.14 C ATOM 1384 O PHE A 86 14.273 9.391 4.912 1.00 3.52 O ATOM 1385 CB PHE A 86 11.060 8.862 6.457 1.00 3.75 C ATOM 1386 CG PHE A 86 10.965 9.067 7.945 1.00 4.51 C ATOM 1387 CD1 PHE A 86 10.499 10.266 8.464 1.00 5.23 C ATOM 1388 CD2 PHE A 86 11.364 8.071 8.822 1.00 4.81 C ATOM 1389 CE1 PHE A 86 10.425 10.464 9.828 1.00 6.14 C ATOM 1390 CE2 PHE A 86 11.296 8.267 10.189 1.00 5.70 C ATOM 1391 CZ PHE A 86 10.756 9.429 10.693 1.00 6.34 C ATOM 1392 H PHE A 86 11.884 9.033 3.775 1.00 2.35 H ATOM 1393 HA PHE A 86 12.023 10.773 6.160 1.00 3.71 H ATOM 1394 HB2 PHE A 86 10.072 9.043 6.051 1.00 3.87 H ATOM 1395 HB3 PHE A 86 11.319 7.825 6.267 1.00 3.96 H ATOM 1396 HD1 PHE A 86 10.242 11.073 7.792 1.00 5.25 H ATOM 1397 HD2 PHE A 86 11.730 7.131 8.433 1.00 4.53 H ATOM 1398 HE1 PHE A 86 10.001 11.378 10.218 1.00 6.82 H ATOM 1399 HE2 PHE A 86 11.610 7.483 10.861 1.00 6.06 H ATOM 1400 HZ PHE A 86 10.704 9.580 11.760 1.00 7.13 H ATOM 1401 N GLY A 87 13.816 8.605 6.963 1.00 3.16 N ATOM 1402 CA GLY A 87 15.128 8.003 7.124 1.00 3.41 C ATOM 1403 C GLY A 87 15.128 6.596 6.579 1.00 3.16 C ATOM 1404 O GLY A 87 15.458 5.638 7.272 1.00 3.62 O ATOM 1405 H GLY A 87 13.248 8.614 7.720 1.00 3.35 H ATOM 1406 HA2 GLY A 87 15.880 8.590 6.607 1.00 3.65 H ATOM 1407 HA3 GLY A 87 15.372 7.968 8.175 1.00 3.75 H ATOM 1408 N ARG A 88 14.754 6.489 5.320 1.00 2.59 N ATOM 1409 CA ARG A 88 14.421 5.224 4.708 1.00 2.41 C ATOM 1410 C ARG A 88 15.570 4.584 3.941 1.00 1.98 C ATOM 1411 O ARG A 88 16.637 5.171 3.770 1.00 2.15 O ATOM 1412 CB ARG A 88 13.249 5.468 3.767 1.00 2.63 C ATOM 1413 CG ARG A 88 13.394 6.714 2.888 1.00 3.46 C ATOM 1414 CD ARG A 88 14.412 6.542 1.766 1.00 4.21 C ATOM 1415 NE ARG A 88 15.630 7.324 1.988 1.00 5.06 N ATOM 1416 CZ ARG A 88 16.456 7.708 1.018 1.00 6.04 C ATOM 1417 NH1 ARG A 88 16.190 7.400 -0.247 1.00 6.34 N ATOM 1418 NH2 ARG A 88 17.543 8.404 1.323 1.00 6.97 N ATOM 1419 H ARG A 88 14.821 7.283 4.762 1.00 2.41 H ATOM 1420 HA ARG A 88 14.093 4.537 5.479 1.00 2.64 H ATOM 1421 HB2 ARG A 88 13.163 4.637 3.119 1.00 2.81 H ATOM 1422 HB3 ARG A 88 12.344 5.564 4.346 1.00 2.62 H ATOM 1423 HG2 ARG A 88 12.452 6.888 2.429 1.00 3.81 H ATOM 1424 HG3 ARG A 88 13.643 7.572 3.476 1.00 3.73 H ATOM 1425 HD2 ARG A 88 14.673 5.502 1.648 1.00 4.44 H ATOM 1426 HD3 ARG A 88 13.937 6.884 0.858 1.00 4.37 H ATOM 1427 HE ARG A 88 15.853 7.570 2.914 1.00 5.13 H ATOM 1428 HH11 ARG A 88 15.381 6.878 -0.501 1.00 5.88 H ATOM 1429 HH12 ARG A 88 16.819 7.697 -0.968 1.00 7.19 H ATOM 1430 HH21 ARG A 88 17.741 8.637 2.277 1.00 7.01 H ATOM 1431 HH22 ARG A 88 18.172 8.696 0.601 1.00 7.77 H ATOM 1432 N ILE A 89 15.330 3.353 3.509 1.00 1.65 N ATOM 1433 CA ILE A 89 16.211 2.663 2.587 1.00 1.42 C ATOM 1434 C ILE A 89 15.722 2.887 1.154 1.00 1.52 C ATOM 1435 O ILE A 89 14.537 3.137 0.934 1.00 1.89 O ATOM 1436 CB ILE A 89 16.263 1.147 2.891 1.00 1.52 C ATOM 1437 CG1 ILE A 89 17.294 0.460 1.982 1.00 1.86 C ATOM 1438 CG2 ILE A 89 14.875 0.520 2.758 1.00 1.93 C ATOM 1439 CD1 ILE A 89 16.782 -0.745 1.228 1.00 1.83 C ATOM 1440 H ILE A 89 14.516 2.903 3.820 1.00 1.73 H ATOM 1441 HA ILE A 89 17.216 3.067 2.687 1.00 1.74 H ATOM 1442 HB ILE A 89 16.574 1.031 3.920 1.00 1.96 H ATOM 1443 HG12 ILE A 89 17.722 1.126 1.273 1.00 2.17 H ATOM 1444 HG13 ILE A 89 18.074 0.122 2.609 1.00 2.54 H ATOM 1445 HG21 ILE A 89 14.181 1.030 3.403 1.00 2.31 H ATOM 1446 HG22 ILE A 89 14.915 -0.516 3.059 1.00 2.47 H ATOM 1447 HG23 ILE A 89 14.526 0.586 1.739 1.00 2.21 H ATOM 1448 HD11 ILE A 89 16.428 -1.495 1.919 1.00 2.08 H ATOM 1449 HD12 ILE A 89 17.589 -1.162 0.643 1.00 2.11 H ATOM 1450 HD13 ILE A 89 15.998 -0.454 0.576 1.00 2.24 H ATOM 1451 N ASP A 90 16.627 2.812 0.194 1.00 1.71 N ATOM 1452 CA ASP A 90 16.277 3.021 -1.202 1.00 2.21 C ATOM 1453 C ASP A 90 15.589 1.778 -1.767 1.00 1.83 C ATOM 1454 O ASP A 90 15.561 0.734 -1.115 1.00 1.30 O ATOM 1455 CB ASP A 90 17.537 3.360 -2.007 1.00 2.96 C ATOM 1456 CG ASP A 90 18.409 2.153 -2.301 1.00 3.55 C ATOM 1457 OD1 ASP A 90 19.074 1.652 -1.366 1.00 3.98 O ATOM 1458 OD2 ASP A 90 18.418 1.683 -3.459 1.00 3.94 O ATOM 1459 H ASP A 90 17.572 2.670 0.428 1.00 1.80 H ATOM 1460 HA ASP A 90 15.595 3.860 -1.253 1.00 2.64 H ATOM 1461 HB2 ASP A 90 17.256 3.810 -2.944 1.00 3.34 H ATOM 1462 HB3 ASP A 90 18.127 4.072 -1.447 1.00 3.26 H ATOM 1463 N PRO A 91 14.987 1.875 -2.963 1.00 2.41 N ATOM 1464 CA PRO A 91 14.341 0.734 -3.640 1.00 2.38 C ATOM 1465 C PRO A 91 15.328 -0.351 -4.098 1.00 1.76 C ATOM 1466 O PRO A 91 15.170 -0.929 -5.175 1.00 2.29 O ATOM 1467 CB PRO A 91 13.662 1.380 -4.853 1.00 3.19 C ATOM 1468 CG PRO A 91 13.592 2.831 -4.524 1.00 3.81 C ATOM 1469 CD PRO A 91 14.833 3.111 -3.740 1.00 3.38 C ATOM 1470 HA PRO A 91 13.619 0.286 -3.021 1.00 2.62 H ATOM 1471 HB2 PRO A 91 14.241 1.220 -5.755 1.00 3.10 H ATOM 1472 HB3 PRO A 91 12.675 0.963 -4.978 1.00 3.62 H ATOM 1473 HG2 PRO A 91 13.577 3.417 -5.432 1.00 4.16 H ATOM 1474 HG3 PRO A 91 12.715 3.034 -3.928 1.00 4.42 H ATOM 1475 HD2 PRO A 91 15.674 3.267 -4.402 1.00 3.58 H ATOM 1476 HD3 PRO A 91 14.678 3.969 -3.106 1.00 3.76 H ATOM 1477 N ASP A 92 16.302 -0.656 -3.247 1.00 1.17 N ATOM 1478 CA ASP A 92 17.306 -1.691 -3.515 1.00 1.41 C ATOM 1479 C ASP A 92 16.681 -3.083 -3.411 1.00 1.43 C ATOM 1480 O ASP A 92 17.329 -4.104 -3.649 1.00 2.17 O ATOM 1481 CB ASP A 92 18.449 -1.543 -2.497 1.00 2.00 C ATOM 1482 CG ASP A 92 19.576 -2.542 -2.682 1.00 2.69 C ATOM 1483 OD1 ASP A 92 20.386 -2.362 -3.618 1.00 3.16 O ATOM 1484 OD2 ASP A 92 19.679 -3.488 -1.867 1.00 3.16 O ATOM 1485 H ASP A 92 16.332 -0.222 -2.382 1.00 1.29 H ATOM 1486 HA ASP A 92 17.697 -1.547 -4.513 1.00 1.84 H ATOM 1487 HB2 ASP A 92 18.867 -0.555 -2.586 1.00 2.44 H ATOM 1488 HB3 ASP A 92 18.048 -1.663 -1.500 1.00 2.14 H ATOM 1489 N ASN A 93 15.401 -3.108 -3.081 1.00 1.21 N ATOM 1490 CA ASN A 93 14.717 -4.338 -2.751 1.00 1.69 C ATOM 1491 C ASN A 93 13.853 -4.807 -3.912 1.00 1.61 C ATOM 1492 O ASN A 93 13.701 -6.009 -4.132 1.00 2.51 O ATOM 1493 CB ASN A 93 13.831 -4.121 -1.521 1.00 2.19 C ATOM 1494 CG ASN A 93 14.478 -3.261 -0.453 1.00 2.86 C ATOM 1495 OD1 ASN A 93 15.224 -3.748 0.392 1.00 3.75 O ATOM 1496 ND2 ASN A 93 14.170 -1.972 -0.458 1.00 2.87 N ATOM 1497 H ASN A 93 14.883 -2.291 -3.032 1.00 1.32 H ATOM 1498 HA ASN A 93 15.437 -5.108 -2.526 1.00 2.03 H ATOM 1499 HB2 ASN A 93 12.911 -3.634 -1.826 1.00 2.09 H ATOM 1500 HB3 ASN A 93 13.589 -5.062 -1.117 1.00 2.72 H ATOM 1501 HD21 ASN A 93 13.583 -1.643 -1.154 1.00 2.47 H ATOM 1502 HD22 ASN A 93 14.484 -1.425 0.270 1.00 3.56 H ATOM 1503 N SER A 94 13.301 -3.841 -4.652 1.00 0.91 N ATOM 1504 CA SER A 94 12.260 -4.087 -5.659 1.00 0.83 C ATOM 1505 C SER A 94 10.955 -4.524 -5.003 1.00 0.78 C ATOM 1506 O SER A 94 9.909 -3.991 -5.338 1.00 1.32 O ATOM 1507 CB SER A 94 12.695 -5.119 -6.701 1.00 0.93 C ATOM 1508 OG SER A 94 13.867 -4.698 -7.381 1.00 1.37 O ATOM 1509 H SER A 94 13.592 -2.914 -4.538 1.00 1.11 H ATOM 1510 HA SER A 94 12.082 -3.146 -6.164 1.00 0.99 H ATOM 1511 HB2 SER A 94 12.888 -6.067 -6.229 1.00 1.01 H ATOM 1512 HB3 SER A 94 11.906 -5.243 -7.430 1.00 1.11 H ATOM 1513 HG SER A 94 13.634 -4.060 -8.060 1.00 1.57 H ATOM 1514 N SER A 95 11.049 -5.501 -4.085 1.00 0.54 N ATOM 1515 CA SER A 95 9.922 -6.009 -3.288 1.00 0.59 C ATOM 1516 C SER A 95 8.589 -5.895 -4.005 1.00 0.54 C ATOM 1517 O SER A 95 7.858 -4.919 -3.844 1.00 0.64 O ATOM 1518 CB SER A 95 9.866 -5.300 -1.937 1.00 0.83 C ATOM 1519 OG SER A 95 11.099 -5.435 -1.255 1.00 1.55 O ATOM 1520 H SER A 95 11.897 -5.934 -3.948 1.00 0.80 H ATOM 1521 HA SER A 95 10.112 -7.051 -3.096 1.00 0.67 H ATOM 1522 HB2 SER A 95 9.637 -4.286 -2.068 1.00 1.20 H ATOM 1523 HB3 SER A 95 9.097 -5.759 -1.331 1.00 1.21 H ATOM 1524 HG SER A 95 11.188 -6.331 -0.918 1.00 2.10 H ATOM 1525 N GLU A 96 8.271 -6.905 -4.783 1.00 0.53 N ATOM 1526 CA GLU A 96 7.088 -6.876 -5.602 1.00 0.60 C ATOM 1527 C GLU A 96 6.078 -7.803 -4.962 1.00 0.69 C ATOM 1528 O GLU A 96 6.477 -8.738 -4.280 1.00 1.06 O ATOM 1529 CB GLU A 96 7.464 -7.306 -7.029 1.00 0.65 C ATOM 1530 CG GLU A 96 6.285 -7.600 -7.939 1.00 1.06 C ATOM 1531 CD GLU A 96 6.709 -8.235 -9.247 1.00 1.21 C ATOM 1532 OE1 GLU A 96 6.960 -9.456 -9.271 1.00 1.73 O ATOM 1533 OE2 GLU A 96 6.793 -7.514 -10.263 1.00 1.23 O ATOM 1534 H GLU A 96 8.833 -7.713 -4.787 1.00 0.59 H ATOM 1535 HA GLU A 96 6.687 -5.881 -5.630 1.00 0.63 H ATOM 1536 HB2 GLU A 96 8.047 -6.519 -7.483 1.00 1.11 H ATOM 1537 HB3 GLU A 96 8.073 -8.198 -6.966 1.00 1.17 H ATOM 1538 HG2 GLU A 96 5.607 -8.281 -7.447 1.00 1.56 H ATOM 1539 HG3 GLU A 96 5.774 -6.675 -8.154 1.00 1.57 H ATOM 1540 N PHE A 97 4.795 -7.522 -5.101 1.00 0.46 N ATOM 1541 CA PHE A 97 3.784 -8.408 -4.549 1.00 0.48 C ATOM 1542 C PHE A 97 2.449 -8.260 -5.251 1.00 0.42 C ATOM 1543 O PHE A 97 2.065 -7.161 -5.661 1.00 0.42 O ATOM 1544 CB PHE A 97 3.636 -8.214 -3.033 1.00 0.52 C ATOM 1545 CG PHE A 97 3.641 -6.784 -2.555 1.00 0.50 C ATOM 1546 CD1 PHE A 97 2.477 -6.033 -2.590 1.00 0.54 C ATOM 1547 CD2 PHE A 97 4.806 -6.183 -2.103 1.00 0.54 C ATOM 1548 CE1 PHE A 97 2.472 -4.714 -2.181 1.00 0.55 C ATOM 1549 CE2 PHE A 97 4.805 -4.864 -1.690 1.00 0.59 C ATOM 1550 CZ PHE A 97 3.664 -4.166 -1.619 1.00 0.56 C ATOM 1551 H PHE A 97 4.519 -6.699 -5.571 1.00 0.43 H ATOM 1552 HA PHE A 97 4.118 -9.393 -4.731 1.00 0.54 H ATOM 1553 HB2 PHE A 97 2.710 -8.642 -2.742 1.00 0.54 H ATOM 1554 HB3 PHE A 97 4.434 -8.742 -2.537 1.00 0.59 H ATOM 1555 HD1 PHE A 97 1.562 -6.487 -2.939 1.00 0.62 H ATOM 1556 HD2 PHE A 97 5.739 -6.727 -2.152 1.00 0.59 H ATOM 1557 HE1 PHE A 97 1.562 -4.133 -2.210 1.00 0.60 H ATOM 1558 HE2 PHE A 97 5.706 -4.445 -1.266 1.00 0.69 H ATOM 1559 HZ PHE A 97 3.683 -3.141 -1.288 1.00 0.61 H ATOM 1560 N THR A 98 1.756 -9.385 -5.406 1.00 0.38 N ATOM 1561 CA THR A 98 0.454 -9.394 -6.044 1.00 0.34 C ATOM 1562 C THR A 98 -0.633 -9.141 -5.012 1.00 0.27 C ATOM 1563 O THR A 98 -0.905 -9.995 -4.168 1.00 0.27 O ATOM 1564 CB THR A 98 0.183 -10.745 -6.730 1.00 0.37 C ATOM 1565 OG1 THR A 98 1.325 -11.144 -7.503 1.00 0.46 O ATOM 1566 CG2 THR A 98 -1.043 -10.662 -7.632 1.00 0.37 C ATOM 1567 H THR A 98 2.125 -10.234 -5.066 1.00 0.40 H ATOM 1568 HA THR A 98 0.430 -8.613 -6.793 1.00 0.37 H ATOM 1569 HB THR A 98 0.002 -11.499 -5.972 1.00 0.35 H ATOM 1570 HG1 THR A 98 1.987 -11.531 -6.924 1.00 0.83 H ATOM 1571 HG21 THR A 98 -1.916 -10.958 -7.067 1.00 1.10 H ATOM 1572 HG22 THR A 98 -0.920 -11.332 -8.469 1.00 1.03 H ATOM 1573 HG23 THR A 98 -1.185 -9.657 -7.997 1.00 1.10 H ATOM 1574 N VAL A 99 -1.231 -7.959 -5.059 1.00 0.27 N ATOM 1575 CA VAL A 99 -2.320 -7.631 -4.161 1.00 0.25 C ATOM 1576 C VAL A 99 -3.618 -8.198 -4.721 1.00 0.25 C ATOM 1577 O VAL A 99 -4.137 -7.708 -5.725 1.00 0.26 O ATOM 1578 CB VAL A 99 -2.437 -6.096 -3.971 1.00 0.28 C ATOM 1579 CG1 VAL A 99 -3.678 -5.728 -3.182 1.00 0.30 C ATOM 1580 CG2 VAL A 99 -1.193 -5.549 -3.288 1.00 0.29 C ATOM 1581 H VAL A 99 -0.938 -7.291 -5.724 1.00 0.30 H ATOM 1582 HA VAL A 99 -2.131 -8.077 -3.196 1.00 0.25 H ATOM 1583 HB VAL A 99 -2.529 -5.641 -4.933 1.00 0.31 H ATOM 1584 HG11 VAL A 99 -3.568 -6.098 -2.183 1.00 1.03 H ATOM 1585 HG12 VAL A 99 -4.564 -6.144 -3.635 1.00 1.03 H ATOM 1586 HG13 VAL A 99 -3.773 -4.653 -3.150 1.00 1.02 H ATOM 1587 HG21 VAL A 99 -0.309 -5.895 -3.800 1.00 1.00 H ATOM 1588 HG22 VAL A 99 -1.165 -5.866 -2.260 1.00 1.12 H ATOM 1589 HG23 VAL A 99 -1.217 -4.469 -3.322 1.00 1.06 H ATOM 1590 N THR A 100 -4.120 -9.235 -4.072 1.00 0.25 N ATOM 1591 CA THR A 100 -5.296 -9.940 -4.546 1.00 0.26 C ATOM 1592 C THR A 100 -6.521 -9.570 -3.727 1.00 0.28 C ATOM 1593 O THR A 100 -6.656 -9.992 -2.584 1.00 0.31 O ATOM 1594 CB THR A 100 -5.084 -11.464 -4.459 1.00 0.29 C ATOM 1595 OG1 THR A 100 -3.773 -11.801 -4.943 1.00 0.34 O ATOM 1596 CG2 THR A 100 -6.144 -12.202 -5.264 1.00 0.32 C ATOM 1597 H THR A 100 -3.700 -9.535 -3.232 1.00 0.25 H ATOM 1598 HA THR A 100 -5.471 -9.683 -5.585 1.00 0.26 H ATOM 1599 HB THR A 100 -5.162 -11.778 -3.427 1.00 0.33 H ATOM 1600 HG1 THR A 100 -3.498 -12.642 -4.567 1.00 0.93 H ATOM 1601 HG21 THR A 100 -5.952 -13.264 -5.215 1.00 1.00 H ATOM 1602 HG22 THR A 100 -6.110 -11.879 -6.294 1.00 1.07 H ATOM 1603 HG23 THR A 100 -7.122 -11.998 -4.854 1.00 1.09 H ATOM 1604 N PHE A 101 -7.406 -8.775 -4.303 1.00 0.28 N ATOM 1605 CA PHE A 101 -8.645 -8.426 -3.629 1.00 0.31 C ATOM 1606 C PHE A 101 -9.741 -9.418 -4.003 1.00 0.31 C ATOM 1607 O PHE A 101 -10.147 -9.502 -5.162 1.00 0.36 O ATOM 1608 CB PHE A 101 -9.083 -6.998 -3.980 1.00 0.38 C ATOM 1609 CG PHE A 101 -8.336 -5.909 -3.258 1.00 0.41 C ATOM 1610 CD1 PHE A 101 -8.611 -5.620 -1.933 1.00 0.42 C ATOM 1611 CD2 PHE A 101 -7.345 -5.183 -3.904 1.00 0.52 C ATOM 1612 CE1 PHE A 101 -7.914 -4.631 -1.267 1.00 0.50 C ATOM 1613 CE2 PHE A 101 -6.650 -4.189 -3.241 1.00 0.60 C ATOM 1614 CZ PHE A 101 -6.979 -3.878 -1.927 1.00 0.56 C ATOM 1615 H PHE A 101 -7.233 -8.421 -5.206 1.00 0.29 H ATOM 1616 HA PHE A 101 -8.483 -8.475 -2.556 1.00 0.32 H ATOM 1617 HB2 PHE A 101 -8.986 -6.841 -5.037 1.00 0.44 H ATOM 1618 HB3 PHE A 101 -10.111 -6.900 -3.716 1.00 0.37 H ATOM 1619 HD1 PHE A 101 -9.351 -6.169 -1.412 1.00 0.42 H ATOM 1620 HD2 PHE A 101 -7.089 -5.423 -4.926 1.00 0.59 H ATOM 1621 HE1 PHE A 101 -8.142 -4.417 -0.233 1.00 0.55 H ATOM 1622 HE2 PHE A 101 -5.914 -3.603 -3.751 1.00 0.71 H ATOM 1623 HZ PHE A 101 -6.437 -3.107 -1.402 1.00 0.63 H ATOM 1624 N VAL A 102 -10.210 -10.172 -3.024 1.00 0.32 N ATOM 1625 CA VAL A 102 -11.264 -11.151 -3.247 1.00 0.38 C ATOM 1626 C VAL A 102 -12.612 -10.573 -2.832 1.00 0.37 C ATOM 1627 O VAL A 102 -12.839 -10.295 -1.652 1.00 0.35 O ATOM 1628 CB VAL A 102 -11.003 -12.457 -2.464 1.00 0.45 C ATOM 1629 CG1 VAL A 102 -12.103 -13.478 -2.729 1.00 0.56 C ATOM 1630 CG2 VAL A 102 -9.640 -13.032 -2.821 1.00 0.48 C ATOM 1631 H VAL A 102 -9.849 -10.069 -2.112 1.00 0.33 H ATOM 1632 HA VAL A 102 -11.292 -11.402 -4.305 1.00 0.44 H ATOM 1633 HB VAL A 102 -11.003 -12.230 -1.406 1.00 0.44 H ATOM 1634 HG11 VAL A 102 -11.852 -14.415 -2.248 1.00 1.18 H ATOM 1635 HG12 VAL A 102 -12.202 -13.640 -3.793 1.00 1.14 H ATOM 1636 HG13 VAL A 102 -13.040 -13.120 -2.330 1.00 1.20 H ATOM 1637 HG21 VAL A 102 -9.472 -13.942 -2.262 1.00 1.21 H ATOM 1638 HG22 VAL A 102 -8.868 -12.318 -2.573 1.00 1.02 H ATOM 1639 HG23 VAL A 102 -9.601 -13.250 -3.879 1.00 1.14 H ATOM 1640 N ALA A 103 -13.490 -10.378 -3.808 1.00 0.46 N ATOM 1641 CA ALA A 103 -14.804 -9.806 -3.554 1.00 0.51 C ATOM 1642 C ALA A 103 -15.717 -10.814 -2.863 1.00 0.56 C ATOM 1643 O ALA A 103 -15.904 -11.928 -3.349 1.00 0.66 O ATOM 1644 CB ALA A 103 -15.433 -9.328 -4.855 1.00 0.65 C ATOM 1645 H ALA A 103 -13.252 -10.639 -4.730 1.00 0.53 H ATOM 1646 HA ALA A 103 -14.679 -8.943 -2.916 1.00 0.47 H ATOM 1647 HB1 ALA A 103 -15.586 -10.169 -5.516 1.00 1.09 H ATOM 1648 HB2 ALA A 103 -14.772 -8.617 -5.331 1.00 1.24 H ATOM 1649 HB3 ALA A 103 -16.381 -8.853 -4.647 1.00 1.32 H ATOM 1650 N ASP A 104 -16.277 -10.414 -1.731 1.00 0.56 N ATOM 1651 CA ASP A 104 -17.160 -11.279 -0.963 1.00 0.71 C ATOM 1652 C ASP A 104 -18.522 -10.621 -0.790 1.00 0.86 C ATOM 1653 O ASP A 104 -18.646 -9.601 -0.108 1.00 0.98 O ATOM 1654 CB ASP A 104 -16.552 -11.570 0.410 1.00 0.75 C ATOM 1655 CG ASP A 104 -17.293 -12.661 1.155 1.00 1.37 C ATOM 1656 OD1 ASP A 104 -17.971 -13.481 0.505 1.00 1.45 O ATOM 1657 OD2 ASP A 104 -17.200 -12.706 2.398 1.00 2.23 O ATOM 1658 H ASP A 104 -16.097 -9.511 -1.391 1.00 0.52 H ATOM 1659 HA ASP A 104 -17.286 -12.219 -1.493 1.00 0.78 H ATOM 1660 HB2 ASP A 104 -15.533 -11.899 0.271 1.00 1.07 H ATOM 1661 HB3 ASP A 104 -16.546 -10.690 0.997 1.00 1.11 H ATOM 1662 N GLY A 105 -19.533 -11.188 -1.444 1.00 0.92 N ATOM 1663 CA GLY A 105 -20.890 -10.663 -1.350 1.00 1.13 C ATOM 1664 C GLY A 105 -21.017 -9.242 -1.880 1.00 1.01 C ATOM 1665 O GLY A 105 -22.032 -8.583 -1.658 1.00 1.59 O ATOM 1666 H GLY A 105 -19.371 -11.979 -2.007 1.00 0.88 H ATOM 1667 HA2 GLY A 105 -21.549 -11.303 -1.919 1.00 1.65 H ATOM 1668 HA3 GLY A 105 -21.204 -10.678 -0.314 1.00 1.63 H ATOM 1669 N GLN A 106 -19.968 -8.782 -2.562 1.00 1.43 N ATOM 1670 CA GLN A 106 -19.897 -7.430 -3.118 1.00 2.28 C ATOM 1671 C GLN A 106 -20.061 -6.359 -2.029 1.00 1.88 C ATOM 1672 O GLN A 106 -20.382 -5.207 -2.318 1.00 2.68 O ATOM 1673 CB GLN A 106 -20.937 -7.244 -4.229 1.00 3.25 C ATOM 1674 CG GLN A 106 -20.589 -6.120 -5.196 1.00 4.15 C ATOM 1675 CD GLN A 106 -19.269 -6.364 -5.904 1.00 5.18 C ATOM 1676 OE1 GLN A 106 -18.206 -5.974 -5.417 1.00 5.68 O ATOM 1677 NE2 GLN A 106 -19.334 -7.004 -7.059 1.00 5.83 N ATOM 1678 H GLN A 106 -19.226 -9.375 -2.779 1.00 1.64 H ATOM 1679 HA GLN A 106 -18.906 -7.329 -3.529 1.00 2.86 H ATOM 1680 HB2 GLN A 106 -21.011 -8.163 -4.796 1.00 3.40 H ATOM 1681 HB3 GLN A 106 -21.902 -7.029 -3.792 1.00 3.71 H ATOM 1682 HG2 GLN A 106 -21.375 -6.044 -5.935 1.00 4.44 H ATOM 1683 HG3 GLN A 106 -20.524 -5.191 -4.654 1.00 4.21 H ATOM 1684 HE21 GLN A 106 -20.210 -7.287 -7.403 1.00 5.69 H ATOM 1685 HE22 GLN A 106 -18.494 -7.172 -7.534 1.00 6.61 H ATOM 1686 N LYS A 107 -19.837 -6.741 -0.779 1.00 0.88 N ATOM 1687 CA LYS A 107 -19.833 -5.788 0.329 1.00 0.53 C ATOM 1688 C LYS A 107 -18.758 -6.163 1.326 1.00 0.43 C ATOM 1689 O LYS A 107 -18.726 -5.676 2.453 1.00 0.55 O ATOM 1690 CB LYS A 107 -21.193 -5.729 1.026 1.00 0.86 C ATOM 1691 CG LYS A 107 -21.593 -7.034 1.696 1.00 1.78 C ATOM 1692 CD LYS A 107 -22.748 -6.838 2.665 1.00 2.45 C ATOM 1693 CE LYS A 107 -22.340 -5.995 3.868 1.00 3.21 C ATOM 1694 NZ LYS A 107 -23.429 -5.893 4.875 1.00 3.85 N ATOM 1695 H LYS A 107 -19.722 -7.685 -0.570 1.00 0.94 H ATOM 1696 HA LYS A 107 -19.608 -4.825 -0.067 1.00 0.55 H ATOM 1697 HB2 LYS A 107 -21.159 -4.937 1.754 1.00 1.05 H ATOM 1698 HB3 LYS A 107 -21.945 -5.485 0.288 1.00 1.39 H ATOM 1699 HG2 LYS A 107 -21.904 -7.732 0.933 1.00 2.23 H ATOM 1700 HG3 LYS A 107 -20.756 -7.451 2.238 1.00 2.12 H ATOM 1701 HD2 LYS A 107 -23.565 -6.347 2.154 1.00 2.46 H ATOM 1702 HD3 LYS A 107 -23.075 -7.805 3.014 1.00 3.00 H ATOM 1703 HE2 LYS A 107 -21.477 -6.444 4.338 1.00 3.52 H ATOM 1704 HE3 LYS A 107 -22.088 -5.001 3.535 1.00 3.59 H ATOM 1705 HZ1 LYS A 107 -24.273 -5.450 4.453 1.00 4.09 H ATOM 1706 HZ2 LYS A 107 -23.116 -5.313 5.679 1.00 4.04 H ATOM 1707 HZ3 LYS A 107 -23.686 -6.839 5.228 1.00 4.39 H ATOM 1708 N LYS A 108 -17.882 -7.035 0.894 1.00 0.38 N ATOM 1709 CA LYS A 108 -16.719 -7.396 1.662 1.00 0.33 C ATOM 1710 C LYS A 108 -15.610 -7.713 0.686 1.00 0.30 C ATOM 1711 O LYS A 108 -15.882 -8.087 -0.455 1.00 0.34 O ATOM 1712 CB LYS A 108 -17.000 -8.620 2.527 1.00 0.38 C ATOM 1713 CG LYS A 108 -15.992 -8.830 3.646 1.00 0.42 C ATOM 1714 CD LYS A 108 -16.117 -10.198 4.308 1.00 0.66 C ATOM 1715 CE LYS A 108 -17.492 -10.435 4.923 1.00 1.08 C ATOM 1716 NZ LYS A 108 -18.469 -10.981 3.941 1.00 1.82 N ATOM 1717 H LYS A 108 -18.001 -7.470 0.025 1.00 0.48 H ATOM 1718 HA LYS A 108 -16.432 -6.559 2.278 1.00 0.33 H ATOM 1719 HB2 LYS A 108 -17.966 -8.475 2.990 1.00 0.43 H ATOM 1720 HB3 LYS A 108 -17.045 -9.489 1.920 1.00 0.45 H ATOM 1721 HG2 LYS A 108 -14.994 -8.744 3.248 1.00 0.55 H ATOM 1722 HG3 LYS A 108 -16.144 -8.068 4.395 1.00 0.50 H ATOM 1723 HD2 LYS A 108 -15.930 -10.960 3.568 1.00 1.43 H ATOM 1724 HD3 LYS A 108 -15.373 -10.272 5.087 1.00 1.32 H ATOM 1725 HE2 LYS A 108 -17.385 -11.145 5.731 1.00 1.61 H ATOM 1726 HE3 LYS A 108 -17.875 -9.504 5.322 1.00 1.76 H ATOM 1727 HZ1 LYS A 108 -18.590 -10.370 3.126 1.00 2.35 H ATOM 1728 HZ2 LYS A 108 -19.395 -11.090 4.401 1.00 2.30 H ATOM 1729 HZ3 LYS A 108 -18.159 -11.916 3.620 1.00 2.23 H ATOM 1730 N THR A 109 -14.379 -7.543 1.101 1.00 0.26 N ATOM 1731 CA THR A 109 -13.263 -7.895 0.257 1.00 0.25 C ATOM 1732 C THR A 109 -12.034 -8.225 1.083 1.00 0.26 C ATOM 1733 O THR A 109 -11.517 -7.395 1.827 1.00 0.32 O ATOM 1734 CB THR A 109 -12.956 -6.785 -0.767 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.031 -6.703 -1.705 1.00 0.30 O ATOM 1736 CG2 THR A 109 -11.661 -7.057 -1.509 1.00 0.27 C ATOM 1737 H THR A 109 -14.211 -7.147 1.989 1.00 0.26 H ATOM 1738 HA THR A 109 -13.549 -8.771 -0.299 1.00 0.27 H ATOM 1739 HB THR A 109 -12.869 -5.843 -0.245 1.00 0.28 H ATOM 1740 HG1 THR A 109 -13.828 -7.184 -2.510 1.00 0.30 H ATOM 1741 HG21 THR A 109 -11.781 -7.918 -2.147 1.00 1.11 H ATOM 1742 HG22 THR A 109 -10.859 -7.235 -0.815 1.00 0.99 H ATOM 1743 HG23 THR A 109 -11.419 -6.200 -2.108 1.00 1.02 H ATOM 1744 N ARG A 110 -11.606 -9.465 0.963 1.00 0.28 N ATOM 1745 CA ARG A 110 -10.412 -9.940 1.625 1.00 0.31 C ATOM 1746 C ARG A 110 -9.244 -9.885 0.656 1.00 0.29 C ATOM 1747 O ARG A 110 -9.261 -10.551 -0.377 1.00 0.35 O ATOM 1748 CB ARG A 110 -10.630 -11.374 2.107 1.00 0.41 C ATOM 1749 CG ARG A 110 -9.369 -12.080 2.584 1.00 0.75 C ATOM 1750 CD ARG A 110 -8.866 -11.542 3.909 1.00 0.77 C ATOM 1751 NE ARG A 110 -7.870 -12.442 4.491 1.00 1.13 N ATOM 1752 CZ ARG A 110 -7.473 -12.404 5.761 1.00 1.66 C ATOM 1753 NH1 ARG A 110 -7.933 -11.465 6.580 1.00 2.31 N ATOM 1754 NH2 ARG A 110 -6.616 -13.312 6.213 1.00 2.01 N ATOM 1755 H ARG A 110 -12.105 -10.097 0.390 1.00 0.31 H ATOM 1756 HA ARG A 110 -10.208 -9.317 2.484 1.00 0.32 H ATOM 1757 HB2 ARG A 110 -11.345 -11.364 2.916 1.00 0.43 H ATOM 1758 HB3 ARG A 110 -11.044 -11.950 1.290 1.00 0.50 H ATOM 1759 HG2 ARG A 110 -9.604 -13.126 2.712 1.00 1.41 H ATOM 1760 HG3 ARG A 110 -8.588 -11.989 1.845 1.00 1.30 H ATOM 1761 HD2 ARG A 110 -8.416 -10.573 3.747 1.00 1.02 H ATOM 1762 HD3 ARG A 110 -9.701 -11.448 4.593 1.00 1.28 H ATOM 1763 HE ARG A 110 -7.484 -13.135 3.906 1.00 1.48 H ATOM 1764 HH11 ARG A 110 -8.577 -10.772 6.266 1.00 2.38 H ATOM 1765 HH12 ARG A 110 -7.628 -11.450 7.535 1.00 2.94 H ATOM 1766 HH21 ARG A 110 -6.268 -14.025 5.601 1.00 2.12 H ATOM 1767 HH22 ARG A 110 -6.314 -13.288 7.168 1.00 2.44 H ATOM 1768 N VAL A 111 -8.250 -9.079 0.971 1.00 0.29 N ATOM 1769 CA VAL A 111 -7.081 -8.974 0.120 1.00 0.29 C ATOM 1770 C VAL A 111 -5.961 -9.850 0.656 1.00 0.30 C ATOM 1771 O VAL A 111 -5.670 -9.848 1.861 1.00 0.34 O ATOM 1772 CB VAL A 111 -6.579 -7.519 -0.006 1.00 0.32 C ATOM 1773 CG1 VAL A 111 -6.071 -6.996 1.322 1.00 0.57 C ATOM 1774 CG2 VAL A 111 -5.492 -7.421 -1.058 1.00 0.63 C ATOM 1775 H VAL A 111 -8.293 -8.552 1.799 1.00 0.35 H ATOM 1776 HA VAL A 111 -7.359 -9.308 -0.861 1.00 0.29 H ATOM 1777 HB VAL A 111 -7.399 -6.925 -0.296 1.00 0.59 H ATOM 1778 HG11 VAL A 111 -5.136 -7.472 1.588 1.00 1.15 H ATOM 1779 HG12 VAL A 111 -6.806 -7.201 2.076 1.00 1.27 H ATOM 1780 HG13 VAL A 111 -5.921 -5.929 1.247 1.00 1.22 H ATOM 1781 HG21 VAL A 111 -5.165 -6.398 -1.105 1.00 1.21 H ATOM 1782 HG22 VAL A 111 -5.888 -7.705 -2.014 1.00 1.14 H ATOM 1783 HG23 VAL A 111 -4.656 -8.053 -0.803 1.00 1.41 H ATOM 1784 N ASP A 112 -5.359 -10.611 -0.236 1.00 0.28 N ATOM 1785 CA ASP A 112 -4.196 -11.396 0.097 1.00 0.30 C ATOM 1786 C ASP A 112 -3.084 -11.107 -0.893 1.00 0.28 C ATOM 1787 O ASP A 112 -3.279 -11.143 -2.104 1.00 0.31 O ATOM 1788 CB ASP A 112 -4.521 -12.898 0.141 1.00 0.37 C ATOM 1789 CG ASP A 112 -4.840 -13.509 -1.214 1.00 1.21 C ATOM 1790 OD1 ASP A 112 -3.896 -13.947 -1.907 1.00 1.19 O ATOM 1791 OD2 ASP A 112 -6.025 -13.521 -1.608 1.00 2.17 O ATOM 1792 H ASP A 112 -5.716 -10.666 -1.153 1.00 0.29 H ATOM 1793 HA ASP A 112 -3.867 -11.103 1.069 1.00 0.32 H ATOM 1794 HB2 ASP A 112 -3.675 -13.425 0.552 1.00 1.07 H ATOM 1795 HB3 ASP A 112 -5.375 -13.048 0.788 1.00 0.87 H ATOM 1796 N VAL A 113 -1.938 -10.734 -0.372 1.00 0.30 N ATOM 1797 CA VAL A 113 -0.759 -10.570 -1.206 1.00 0.31 C ATOM 1798 C VAL A 113 0.011 -11.856 -1.255 1.00 0.33 C ATOM 1799 O VAL A 113 0.203 -12.501 -0.227 1.00 0.35 O ATOM 1800 CB VAL A 113 0.174 -9.431 -0.726 1.00 0.36 C ATOM 1801 CG1 VAL A 113 1.645 -9.770 -0.916 1.00 0.51 C ATOM 1802 CG2 VAL A 113 -0.156 -8.153 -1.457 1.00 0.42 C ATOM 1803 H VAL A 113 -1.865 -10.660 0.575 1.00 0.36 H ATOM 1804 HA VAL A 113 -1.092 -10.331 -2.198 1.00 0.32 H ATOM 1805 HB VAL A 113 0.045 -9.286 0.285 1.00 0.43 H ATOM 1806 HG11 VAL A 113 1.823 -10.108 -1.926 1.00 1.05 H ATOM 1807 HG12 VAL A 113 1.935 -10.541 -0.216 1.00 1.15 H ATOM 1808 HG13 VAL A 113 2.246 -8.892 -0.721 1.00 1.17 H ATOM 1809 HG21 VAL A 113 -1.186 -7.886 -1.270 1.00 1.19 H ATOM 1810 HG22 VAL A 113 -0.006 -8.286 -2.517 1.00 1.17 H ATOM 1811 HG23 VAL A 113 0.484 -7.355 -1.102 1.00 0.96 H ATOM 1812 N GLU A 114 0.417 -12.220 -2.451 1.00 0.37 N ATOM 1813 CA GLU A 114 1.263 -13.365 -2.663 1.00 0.45 C ATOM 1814 C GLU A 114 2.416 -12.986 -3.570 1.00 0.53 C ATOM 1815 O GLU A 114 2.212 -12.533 -4.705 1.00 0.63 O ATOM 1816 CB GLU A 114 0.459 -14.501 -3.276 1.00 0.62 C ATOM 1817 CG GLU A 114 -0.498 -15.161 -2.298 1.00 1.31 C ATOM 1818 CD GLU A 114 0.210 -16.075 -1.320 1.00 1.67 C ATOM 1819 OE1 GLU A 114 0.809 -17.080 -1.752 1.00 2.33 O ATOM 1820 OE2 GLU A 114 0.202 -15.770 -0.107 1.00 1.79 O ATOM 1821 H GLU A 114 0.123 -11.706 -3.242 1.00 0.38 H ATOM 1822 HA GLU A 114 1.664 -13.697 -1.707 1.00 0.46 H ATOM 1823 HB2 GLU A 114 -0.121 -14.110 -4.100 1.00 1.02 H ATOM 1824 HB3 GLU A 114 1.135 -15.260 -3.656 1.00 1.06 H ATOM 1825 HG2 GLU A 114 -1.026 -14.397 -1.742 1.00 1.91 H ATOM 1826 HG3 GLU A 114 -1.210 -15.748 -2.858 1.00 1.90 H ATOM 1827 N HIS A 115 3.617 -13.056 -3.030 1.00 0.59 N ATOM 1828 CA HIS A 115 4.820 -12.925 -3.829 1.00 0.84 C ATOM 1829 C HIS A 115 5.980 -13.612 -3.135 1.00 0.77 C ATOM 1830 O HIS A 115 5.935 -13.831 -1.923 1.00 0.84 O ATOM 1831 CB HIS A 115 5.150 -11.473 -4.121 1.00 1.21 C ATOM 1832 CG HIS A 115 6.105 -11.314 -5.256 1.00 1.87 C ATOM 1833 ND1 HIS A 115 7.471 -11.312 -5.091 1.00 2.61 N ATOM 1834 CD2 HIS A 115 5.884 -11.136 -6.575 1.00 2.39 C ATOM 1835 CE1 HIS A 115 8.048 -11.139 -6.261 1.00 3.10 C ATOM 1836 NE2 HIS A 115 7.109 -11.028 -7.182 1.00 2.92 N ATOM 1837 H HIS A 115 3.704 -13.174 -2.053 1.00 0.57 H ATOM 1838 HA HIS A 115 4.643 -13.442 -4.770 1.00 1.05 H ATOM 1839 HB2 HIS A 115 4.238 -10.985 -4.385 1.00 1.12 H ATOM 1840 HB3 HIS A 115 5.574 -10.997 -3.265 1.00 1.39 H ATOM 1841 HD1 HIS A 115 7.944 -11.423 -4.246 1.00 3.02 H ATOM 1842 HD2 HIS A 115 4.921 -11.090 -7.063 1.00 2.77 H ATOM 1843 HE1 HIS A 115 9.107 -11.077 -6.437 1.00 3.82 H ATOM 1844 HE2 HIS A 115 7.266 -11.012 -8.149 1.00 3.41 H ATOM 1845 N THR A 116 6.993 -13.986 -3.901 1.00 0.79 N ATOM 1846 CA THR A 116 8.139 -14.697 -3.358 1.00 0.93 C ATOM 1847 C THR A 116 9.359 -14.523 -4.259 1.00 1.11 C ATOM 1848 O THR A 116 9.509 -15.235 -5.252 1.00 1.96 O ATOM 1849 CB THR A 116 7.848 -16.203 -3.195 1.00 1.53 C ATOM 1850 OG1 THR A 116 6.589 -16.395 -2.533 1.00 2.20 O ATOM 1851 CG2 THR A 116 8.946 -16.883 -2.390 1.00 2.20 C ATOM 1852 H THR A 116 6.955 -13.820 -4.872 1.00 0.85 H ATOM 1853 HA THR A 116 8.366 -14.292 -2.387 1.00 1.51 H ATOM 1854 HB THR A 116 7.800 -16.666 -4.172 1.00 2.13 H ATOM 1855 HG1 THR A 116 5.879 -16.384 -3.180 1.00 2.68 H ATOM 1856 HG21 THR A 116 9.880 -16.833 -2.931 1.00 2.61 H ATOM 1857 HG22 THR A 116 8.682 -17.917 -2.228 1.00 2.68 H ATOM 1858 HG23 THR A 116 9.057 -16.389 -1.434 1.00 2.67 H ATOM 1859 N HIS A 117 10.198 -13.542 -3.940 1.00 1.16 N ATOM 1860 CA HIS A 117 11.467 -13.353 -4.639 1.00 1.83 C ATOM 1861 C HIS A 117 12.262 -12.235 -3.980 1.00 1.52 C ATOM 1862 O HIS A 117 13.287 -12.473 -3.349 1.00 1.49 O ATOM 1863 CB HIS A 117 11.237 -13.016 -6.119 1.00 2.76 C ATOM 1864 CG HIS A 117 12.453 -13.189 -6.981 1.00 3.08 C ATOM 1865 ND1 HIS A 117 12.504 -14.085 -8.024 1.00 3.48 N ATOM 1866 CD2 HIS A 117 13.656 -12.573 -6.958 1.00 3.43 C ATOM 1867 CE1 HIS A 117 13.688 -14.013 -8.604 1.00 3.98 C ATOM 1868 NE2 HIS A 117 14.409 -13.103 -7.975 1.00 4.01 N ATOM 1869 H HIS A 117 9.961 -12.927 -3.218 1.00 1.28 H ATOM 1870 HA HIS A 117 12.033 -14.273 -4.562 1.00 2.31 H ATOM 1871 HB2 HIS A 117 10.474 -13.655 -6.523 1.00 3.23 H ATOM 1872 HB3 HIS A 117 10.912 -11.999 -6.228 1.00 3.28 H ATOM 1873 HD1 HIS A 117 11.780 -14.685 -8.299 1.00 3.57 H ATOM 1874 HD2 HIS A 117 13.969 -11.804 -6.266 1.00 3.47 H ATOM 1875 HE1 HIS A 117 14.011 -14.598 -9.451 1.00 4.45 H ATOM 1876 HE2 HIS A 117 15.279 -12.768 -8.273 1.00 4.48 H ATOM 1877 N PHE A 118 11.768 -11.017 -4.132 1.00 1.41 N ATOM 1878 CA PHE A 118 12.437 -9.838 -3.597 1.00 1.35 C ATOM 1879 C PHE A 118 12.038 -9.630 -2.144 1.00 1.22 C ATOM 1880 O PHE A 118 12.798 -9.110 -1.337 1.00 1.19 O ATOM 1881 CB PHE A 118 12.048 -8.607 -4.414 1.00 1.61 C ATOM 1882 CG PHE A 118 12.108 -8.817 -5.900 1.00 2.68 C ATOM 1883 CD1 PHE A 118 13.325 -8.937 -6.549 1.00 3.70 C ATOM 1884 CD2 PHE A 118 10.944 -8.890 -6.647 1.00 2.93 C ATOM 1885 CE1 PHE A 118 13.379 -9.127 -7.917 1.00 4.87 C ATOM 1886 CE2 PHE A 118 10.991 -9.079 -8.014 1.00 4.09 C ATOM 1887 CZ PHE A 118 12.210 -9.199 -8.649 1.00 5.04 C ATOM 1888 H PHE A 118 10.893 -10.897 -4.570 1.00 1.47 H ATOM 1889 HA PHE A 118 13.510 -9.978 -3.657 1.00 1.38 H ATOM 1890 HB2 PHE A 118 11.043 -8.320 -4.163 1.00 1.73 H ATOM 1891 HB3 PHE A 118 12.713 -7.817 -4.161 1.00 1.63 H ATOM 1892 HD1 PHE A 118 14.243 -8.882 -5.981 1.00 3.67 H ATOM 1893 HD2 PHE A 118 9.990 -8.802 -6.156 1.00 2.38 H ATOM 1894 HE1 PHE A 118 14.333 -9.219 -8.412 1.00 5.71 H ATOM 1895 HE2 PHE A 118 10.075 -9.136 -8.584 1.00 4.34 H ATOM 1896 HZ PHE A 118 12.251 -9.349 -9.718 1.00 5.99 H ATOM 1897 N ASP A 119 10.824 -10.051 -1.850 1.00 1.32 N ATOM 1898 CA ASP A 119 10.221 -9.947 -0.529 1.00 1.46 C ATOM 1899 C ASP A 119 10.925 -10.835 0.490 1.00 1.35 C ATOM 1900 O ASP A 119 10.954 -10.532 1.679 1.00 1.48 O ATOM 1901 CB ASP A 119 8.758 -10.347 -0.644 1.00 1.79 C ATOM 1902 CG ASP A 119 8.592 -11.599 -1.483 1.00 2.76 C ATOM 1903 OD1 ASP A 119 8.678 -11.497 -2.737 1.00 3.36 O ATOM 1904 OD2 ASP A 119 8.398 -12.683 -0.909 1.00 3.34 O ATOM 1905 H ASP A 119 10.277 -10.408 -2.578 1.00 1.42 H ATOM 1906 HA ASP A 119 10.279 -8.917 -0.204 1.00 1.56 H ATOM 1907 HB2 ASP A 119 8.361 -10.534 0.339 1.00 1.92 H ATOM 1908 HB3 ASP A 119 8.204 -9.546 -1.109 1.00 1.94 H ATOM 1909 N ARG A 120 11.488 -11.931 0.003 1.00 1.21 N ATOM 1910 CA ARG A 120 12.196 -12.921 0.824 1.00 1.24 C ATOM 1911 C ARG A 120 13.387 -12.302 1.575 1.00 1.19 C ATOM 1912 O ARG A 120 13.998 -12.943 2.429 1.00 1.43 O ATOM 1913 CB ARG A 120 12.667 -14.090 -0.038 1.00 1.20 C ATOM 1914 CG ARG A 120 12.645 -15.420 0.697 1.00 1.72 C ATOM 1915 CD ARG A 120 13.820 -16.293 0.309 1.00 1.79 C ATOM 1916 NE ARG A 120 15.064 -15.769 0.852 1.00 2.33 N ATOM 1917 CZ ARG A 120 16.264 -16.036 0.356 1.00 2.86 C ATOM 1918 NH1 ARG A 120 16.389 -16.815 -0.708 1.00 2.85 N ATOM 1919 NH2 ARG A 120 17.341 -15.520 0.932 1.00 3.89 N ATOM 1920 H ARG A 120 11.420 -12.107 -0.963 1.00 1.18 H ATOM 1921 HA ARG A 120 11.488 -13.286 1.559 1.00 1.43 H ATOM 1922 HB2 ARG A 120 12.011 -14.182 -0.895 1.00 1.39 H ATOM 1923 HB3 ARG A 120 13.672 -13.895 -0.394 1.00 1.46 H ATOM 1924 HG2 ARG A 120 12.672 -15.261 1.759 1.00 2.20 H ATOM 1925 HG3 ARG A 120 11.745 -15.935 0.430 1.00 2.19 H ATOM 1926 HD2 ARG A 120 13.655 -17.287 0.699 1.00 1.96 H ATOM 1927 HD3 ARG A 120 13.874 -16.334 -0.771 1.00 2.25 H ATOM 1928 HE ARG A 120 15.007 -15.188 1.646 1.00 2.79 H ATOM 1929 HH11 ARG A 120 15.598 -17.219 -1.157 1.00 2.57 H ATOM 1930 HH12 ARG A 120 17.302 -17.006 -1.075 1.00 3.49 H ATOM 1931 HH21 ARG A 120 17.249 -14.931 1.738 1.00 4.29 H ATOM 1932 HH22 ARG A 120 18.251 -15.716 0.564 1.00 4.44 H ATOM 1933 N MET A 121 13.734 -11.079 1.196 1.00 1.00 N ATOM 1934 CA MET A 121 14.935 -10.367 1.650 1.00 1.06 C ATOM 1935 C MET A 121 14.984 -10.129 3.174 1.00 1.07 C ATOM 1936 O MET A 121 15.883 -9.432 3.664 1.00 1.04 O ATOM 1937 CB MET A 121 14.930 -9.010 0.974 1.00 1.20 C ATOM 1938 CG MET A 121 13.756 -8.159 1.439 1.00 1.99 C ATOM 1939 SD MET A 121 13.706 -6.539 0.672 1.00 2.92 S ATOM 1940 CE MET A 121 12.328 -5.816 1.556 1.00 3.79 C ATOM 1941 H MET A 121 13.205 -10.639 0.514 1.00 0.93 H ATOM 1942 HA MET A 121 15.807 -10.916 1.337 1.00 1.35 H ATOM 1943 HB2 MET A 121 15.843 -8.527 1.181 1.00 1.23 H ATOM 1944 HB3 MET A 121 14.848 -9.151 -0.092 1.00 1.56 H ATOM 1945 HG2 MET A 121 12.836 -8.666 1.199 1.00 2.49 H ATOM 1946 HG3 MET A 121 13.810 -8.015 2.507 1.00 2.41 H ATOM 1947 HE1 MET A 121 11.408 -6.283 1.238 1.00 4.19 H ATOM 1948 HE2 MET A 121 12.285 -4.756 1.355 1.00 4.13 H ATOM 1949 HE3 MET A 121 12.461 -5.978 2.615 1.00 4.09 H ATOM 1950 N GLY A 122 14.005 -10.667 3.887 1.00 1.37 N ATOM 1951 CA GLY A 122 13.937 -10.557 5.337 1.00 1.76 C ATOM 1952 C GLY A 122 15.259 -10.793 6.040 1.00 1.85 C ATOM 1953 O GLY A 122 16.192 -11.356 5.464 1.00 2.52 O ATOM 1954 H GLY A 122 13.264 -11.109 3.454 1.00 1.45 H ATOM 1955 HA2 GLY A 122 13.599 -9.587 5.573 1.00 1.86 H ATOM 1956 HA3 GLY A 122 13.227 -11.256 5.714 1.00 2.08 H ATOM 1957 N THR A 123 15.305 -10.384 7.300 1.00 1.75 N ATOM 1958 CA THR A 123 16.526 -10.349 8.092 1.00 1.77 C ATOM 1959 C THR A 123 17.314 -9.066 7.784 1.00 1.52 C ATOM 1960 O THR A 123 17.017 -8.022 8.358 1.00 1.46 O ATOM 1961 CB THR A 123 17.400 -11.612 7.908 1.00 1.97 C ATOM 1962 OG1 THR A 123 16.602 -12.792 8.103 1.00 2.59 O ATOM 1963 CG2 THR A 123 18.558 -11.629 8.895 1.00 2.27 C ATOM 1964 H THR A 123 14.473 -10.091 7.738 1.00 2.08 H ATOM 1965 HA THR A 123 16.217 -10.305 9.130 1.00 1.90 H ATOM 1966 HB THR A 123 17.810 -11.635 6.914 1.00 2.03 H ATOM 1967 HG1 THR A 123 16.995 -13.531 7.630 1.00 2.97 H ATOM 1968 HG21 THR A 123 18.178 -11.553 9.904 1.00 2.51 H ATOM 1969 HG22 THR A 123 19.219 -10.798 8.695 1.00 2.57 H ATOM 1970 HG23 THR A 123 19.106 -12.553 8.788 1.00 2.78 H ATOM 1971 N LYS A 124 18.258 -9.102 6.845 1.00 1.47 N ATOM 1972 CA LYS A 124 19.110 -7.934 6.613 1.00 1.38 C ATOM 1973 C LYS A 124 18.354 -6.822 5.877 1.00 1.17 C ATOM 1974 O LYS A 124 18.325 -5.666 6.322 1.00 1.15 O ATOM 1975 CB LYS A 124 20.386 -8.318 5.841 1.00 1.59 C ATOM 1976 CG LYS A 124 20.153 -8.745 4.399 1.00 2.09 C ATOM 1977 CD LYS A 124 21.460 -9.010 3.671 1.00 2.44 C ATOM 1978 CE LYS A 124 22.194 -10.207 4.251 1.00 2.99 C ATOM 1979 NZ LYS A 124 21.426 -11.465 4.080 1.00 3.51 N ATOM 1980 H LYS A 124 18.352 -9.883 6.261 1.00 1.57 H ATOM 1981 HA LYS A 124 19.411 -7.546 7.580 1.00 1.45 H ATOM 1982 HB2 LYS A 124 21.054 -7.467 5.842 1.00 1.98 H ATOM 1983 HB3 LYS A 124 20.858 -9.130 6.368 1.00 1.94 H ATOM 1984 HG2 LYS A 124 19.544 -9.633 4.378 1.00 2.55 H ATOM 1985 HG3 LYS A 124 19.649 -7.957 3.870 1.00 2.61 H ATOM 1986 HD2 LYS A 124 21.246 -9.207 2.631 1.00 2.95 H ATOM 1987 HD3 LYS A 124 22.094 -8.137 3.747 1.00 2.58 H ATOM 1988 HE2 LYS A 124 23.137 -10.309 3.733 1.00 3.37 H ATOM 1989 HE3 LYS A 124 22.387 -10.048 5.299 1.00 3.35 H ATOM 1990 HZ1 LYS A 124 21.136 -11.587 3.086 1.00 3.70 H ATOM 1991 HZ2 LYS A 124 20.579 -11.457 4.681 1.00 3.95 H ATOM 1992 HZ3 LYS A 124 22.016 -12.278 4.353 1.00 3.82 H ATOM 1993 N HIS A 125 17.701 -7.180 4.779 1.00 1.07 N ATOM 1994 CA HIS A 125 17.080 -6.196 3.914 1.00 1.00 C ATOM 1995 C HIS A 125 15.835 -5.644 4.588 1.00 0.90 C ATOM 1996 O HIS A 125 15.477 -4.487 4.405 1.00 0.87 O ATOM 1997 CB HIS A 125 16.737 -6.847 2.573 1.00 1.06 C ATOM 1998 CG HIS A 125 17.187 -6.085 1.361 1.00 1.44 C ATOM 1999 ND1 HIS A 125 16.869 -6.476 0.078 1.00 2.13 N ATOM 2000 CD2 HIS A 125 17.968 -4.986 1.231 1.00 1.99 C ATOM 2001 CE1 HIS A 125 17.436 -5.657 -0.785 1.00 2.68 C ATOM 2002 NE2 HIS A 125 18.109 -4.743 -0.115 1.00 2.60 N ATOM 2003 H HIS A 125 17.581 -8.138 4.578 1.00 1.10 H ATOM 2004 HA HIS A 125 17.780 -5.388 3.776 1.00 1.09 H ATOM 2005 HB2 HIS A 125 17.207 -7.817 2.516 1.00 1.35 H ATOM 2006 HB3 HIS A 125 15.690 -6.963 2.519 1.00 1.26 H ATOM 2007 HD1 HIS A 125 16.354 -7.250 -0.177 1.00 2.51 H ATOM 2008 HD2 HIS A 125 18.427 -4.450 2.012 1.00 2.35 H ATOM 2009 HE1 HIS A 125 17.381 -5.739 -1.856 1.00 3.37 H ATOM 2010 HE2 HIS A 125 18.504 -3.937 -0.505 1.00 3.10 H ATOM 2011 N ALA A 126 15.210 -6.480 5.405 1.00 0.94 N ATOM 2012 CA ALA A 126 14.008 -6.090 6.123 1.00 0.95 C ATOM 2013 C ALA A 126 14.344 -5.227 7.342 1.00 0.94 C ATOM 2014 O ALA A 126 13.527 -4.410 7.770 1.00 0.94 O ATOM 2015 CB ALA A 126 13.216 -7.326 6.517 1.00 1.10 C ATOM 2016 H ALA A 126 15.555 -7.394 5.531 1.00 1.01 H ATOM 2017 HA ALA A 126 13.388 -5.515 5.450 1.00 0.95 H ATOM 2018 HB1 ALA A 126 12.799 -7.773 5.630 1.00 1.49 H ATOM 2019 HB2 ALA A 126 12.411 -7.051 7.186 1.00 1.55 H ATOM 2020 HB3 ALA A 126 13.868 -8.032 7.009 1.00 1.55 H ATOM 2021 N LYS A 127 15.545 -5.393 7.898 1.00 1.02 N ATOM 2022 CA LYS A 127 15.986 -4.545 9.004 1.00 1.11 C ATOM 2023 C LYS A 127 16.224 -3.115 8.538 1.00 1.01 C ATOM 2024 O LYS A 127 15.860 -2.167 9.231 1.00 1.09 O ATOM 2025 CB LYS A 127 17.245 -5.101 9.672 1.00 1.31 C ATOM 2026 CG LYS A 127 16.953 -6.203 10.673 1.00 1.65 C ATOM 2027 CD LYS A 127 18.223 -6.719 11.323 1.00 2.14 C ATOM 2028 CE LYS A 127 17.922 -7.834 12.309 1.00 2.77 C ATOM 2029 NZ LYS A 127 17.008 -7.382 13.391 1.00 3.46 N ATOM 2030 H LYS A 127 16.145 -6.105 7.574 1.00 1.07 H ATOM 2031 HA LYS A 127 15.186 -4.520 9.738 1.00 1.20 H ATOM 2032 HB2 LYS A 127 17.900 -5.498 8.908 1.00 1.47 H ATOM 2033 HB3 LYS A 127 17.760 -4.303 10.195 1.00 1.68 H ATOM 2034 HG2 LYS A 127 16.315 -5.793 11.443 1.00 2.16 H ATOM 2035 HG3 LYS A 127 16.440 -7.009 10.184 1.00 1.97 H ATOM 2036 HD2 LYS A 127 18.884 -7.101 10.557 1.00 2.64 H ATOM 2037 HD3 LYS A 127 18.706 -5.908 11.849 1.00 2.44 H ATOM 2038 HE2 LYS A 127 17.461 -8.657 11.780 1.00 2.87 H ATOM 2039 HE3 LYS A 127 18.850 -8.167 12.749 1.00 3.36 H ATOM 2040 HZ1 LYS A 127 16.046 -7.246 13.021 1.00 3.78 H ATOM 2041 HZ2 LYS A 127 17.341 -6.485 13.805 1.00 3.75 H ATOM 2042 HZ3 LYS A 127 16.974 -8.100 14.144 1.00 3.91 H ATOM 2043 N ARG A 128 16.819 -2.950 7.363 1.00 0.92 N ATOM 2044 CA ARG A 128 16.978 -1.607 6.802 1.00 0.90 C ATOM 2045 C ARG A 128 15.629 -1.062 6.317 1.00 0.84 C ATOM 2046 O ARG A 128 15.421 0.147 6.252 1.00 0.88 O ATOM 2047 CB ARG A 128 18.053 -1.571 5.709 1.00 0.99 C ATOM 2048 CG ARG A 128 17.834 -2.527 4.550 1.00 1.07 C ATOM 2049 CD ARG A 128 19.111 -2.705 3.741 1.00 1.24 C ATOM 2050 NE ARG A 128 19.620 -1.436 3.225 1.00 1.56 N ATOM 2051 CZ ARG A 128 20.301 -1.311 2.087 1.00 1.76 C ATOM 2052 NH1 ARG A 128 20.663 -2.388 1.397 1.00 1.81 N ATOM 2053 NH2 ARG A 128 20.655 -0.107 1.656 1.00 2.35 N ATOM 2054 H ARG A 128 17.171 -3.730 6.881 1.00 0.92 H ATOM 2055 HA ARG A 128 17.312 -0.961 7.608 1.00 0.97 H ATOM 2056 HB2 ARG A 128 18.099 -0.568 5.311 1.00 1.05 H ATOM 2057 HB3 ARG A 128 19.004 -1.802 6.172 1.00 1.09 H ATOM 2058 HG2 ARG A 128 17.541 -3.489 4.929 1.00 1.10 H ATOM 2059 HG3 ARG A 128 17.061 -2.135 3.909 1.00 1.12 H ATOM 2060 HD2 ARG A 128 19.865 -3.156 4.371 1.00 1.47 H ATOM 2061 HD3 ARG A 128 18.894 -3.354 2.941 1.00 1.46 H ATOM 2062 HE ARG A 128 19.451 -0.625 3.747 1.00 1.97 H ATOM 2063 HH11 ARG A 128 20.442 -3.308 1.710 1.00 1.84 H ATOM 2064 HH12 ARG A 128 21.170 -2.277 0.539 1.00 2.14 H ATOM 2065 HH21 ARG A 128 20.411 0.708 2.185 1.00 2.74 H ATOM 2066 HH22 ARG A 128 21.167 -0.008 0.801 1.00 2.56 H ATOM 2067 N VAL A 129 14.718 -1.959 5.972 1.00 0.82 N ATOM 2068 CA VAL A 129 13.332 -1.579 5.696 1.00 0.87 C ATOM 2069 C VAL A 129 12.661 -1.017 6.956 1.00 0.86 C ATOM 2070 O VAL A 129 11.851 -0.084 6.890 1.00 0.90 O ATOM 2071 CB VAL A 129 12.527 -2.792 5.175 1.00 0.97 C ATOM 2072 CG1 VAL A 129 11.025 -2.571 5.318 1.00 1.20 C ATOM 2073 CG2 VAL A 129 12.891 -3.076 3.726 1.00 1.21 C ATOM 2074 H VAL A 129 14.978 -2.904 5.867 1.00 0.83 H ATOM 2075 HA VAL A 129 13.334 -0.806 4.935 1.00 0.92 H ATOM 2076 HB VAL A 129 12.784 -3.644 5.756 1.00 1.04 H ATOM 2077 HG11 VAL A 129 10.721 -2.871 6.310 1.00 1.65 H ATOM 2078 HG12 VAL A 129 10.482 -3.166 4.593 1.00 1.58 H ATOM 2079 HG13 VAL A 129 10.782 -1.533 5.179 1.00 1.69 H ATOM 2080 HG21 VAL A 129 13.957 -3.141 3.614 1.00 1.63 H ATOM 2081 HG22 VAL A 129 12.522 -2.284 3.095 1.00 1.62 H ATOM 2082 HG23 VAL A 129 12.442 -4.002 3.432 1.00 1.66 H ATOM 2083 N ARG A 130 13.045 -1.572 8.103 1.00 0.89 N ATOM 2084 CA ARG A 130 12.447 -1.241 9.398 1.00 0.99 C ATOM 2085 C ARG A 130 12.623 0.239 9.758 1.00 0.94 C ATOM 2086 O ARG A 130 11.940 0.744 10.648 1.00 1.08 O ATOM 2087 CB ARG A 130 13.077 -2.112 10.490 1.00 1.15 C ATOM 2088 CG ARG A 130 12.285 -2.158 11.789 1.00 1.71 C ATOM 2089 CD ARG A 130 11.051 -3.032 11.654 1.00 2.09 C ATOM 2090 NE ARG A 130 11.396 -4.415 11.327 1.00 2.63 N ATOM 2091 CZ ARG A 130 10.516 -5.339 10.939 1.00 3.39 C ATOM 2092 NH1 ARG A 130 9.228 -5.041 10.824 1.00 3.71 N ATOM 2093 NH2 ARG A 130 10.926 -6.568 10.667 1.00 4.24 N ATOM 2094 H ARG A 130 13.744 -2.256 8.086 1.00 0.90 H ATOM 2095 HA ARG A 130 11.391 -1.459 9.337 1.00 1.08 H ATOM 2096 HB2 ARG A 130 13.191 -3.119 10.115 1.00 1.45 H ATOM 2097 HB3 ARG A 130 14.060 -1.728 10.722 1.00 1.36 H ATOM 2098 HG2 ARG A 130 12.916 -2.569 12.563 1.00 2.05 H ATOM 2099 HG3 ARG A 130 11.983 -1.162 12.068 1.00 2.18 H ATOM 2100 HD2 ARG A 130 10.509 -3.017 12.587 1.00 2.45 H ATOM 2101 HD3 ARG A 130 10.433 -2.635 10.875 1.00 2.41 H ATOM 2102 HE ARG A 130 12.343 -4.681 11.405 1.00 2.85 H ATOM 2103 HH11 ARG A 130 8.891 -4.129 11.026 1.00 3.54 H ATOM 2104 HH12 ARG A 130 8.579 -5.747 10.531 1.00 4.40 H ATOM 2105 HH21 ARG A 130 11.896 -6.804 10.750 1.00 4.47 H ATOM 2106 HH22 ARG A 130 10.270 -7.268 10.388 1.00 4.87 H ATOM 2107 N ASN A 131 13.526 0.926 9.053 1.00 0.84 N ATOM 2108 CA ASN A 131 13.884 2.315 9.369 1.00 0.91 C ATOM 2109 C ASN A 131 12.659 3.214 9.513 1.00 0.96 C ATOM 2110 O ASN A 131 12.478 3.868 10.541 1.00 1.12 O ATOM 2111 CB ASN A 131 14.789 2.912 8.283 1.00 0.97 C ATOM 2112 CG ASN A 131 16.184 2.320 8.252 1.00 1.66 C ATOM 2113 OD1 ASN A 131 16.682 1.804 9.253 1.00 2.36 O ATOM 2114 ND2 ASN A 131 16.835 2.415 7.098 1.00 2.18 N ATOM 2115 H ASN A 131 14.019 0.490 8.332 1.00 0.79 H ATOM 2116 HA ASN A 131 14.419 2.312 10.309 1.00 1.10 H ATOM 2117 HB2 ASN A 131 14.329 2.761 7.319 1.00 1.58 H ATOM 2118 HB3 ASN A 131 14.887 3.967 8.466 1.00 1.18 H ATOM 2119 HD21 ASN A 131 16.396 2.855 6.335 1.00 2.11 H ATOM 2120 HD22 ASN A 131 17.739 2.039 7.053 1.00 2.92 H ATOM 2121 N GLY A 132 11.815 3.254 8.491 1.00 1.02 N ATOM 2122 CA GLY A 132 10.675 4.150 8.533 1.00 1.32 C ATOM 2123 C GLY A 132 9.421 3.572 7.908 1.00 1.17 C ATOM 2124 O GLY A 132 8.341 4.142 8.045 1.00 1.33 O ATOM 2125 H GLY A 132 12.005 2.726 7.684 1.00 0.98 H ATOM 2126 HA2 GLY A 132 10.439 4.412 9.558 1.00 1.59 H ATOM 2127 HA3 GLY A 132 10.933 5.054 8.001 1.00 1.65 H ATOM 2128 N MET A 133 9.554 2.445 7.224 1.00 1.15 N ATOM 2129 CA MET A 133 8.421 1.841 6.528 1.00 1.35 C ATOM 2130 C MET A 133 7.538 1.081 7.512 1.00 1.27 C ATOM 2131 O MET A 133 6.330 0.958 7.313 1.00 1.52 O ATOM 2132 CB MET A 133 8.919 0.896 5.434 1.00 1.72 C ATOM 2133 CG MET A 133 7.817 0.346 4.540 1.00 2.53 C ATOM 2134 SD MET A 133 7.034 1.623 3.536 1.00 3.54 S ATOM 2135 CE MET A 133 6.037 0.623 2.433 1.00 4.43 C ATOM 2136 H MET A 133 10.413 1.979 7.195 1.00 1.22 H ATOM 2137 HA MET A 133 7.839 2.634 6.079 1.00 1.53 H ATOM 2138 HB2 MET A 133 9.628 1.428 4.816 1.00 1.75 H ATOM 2139 HB3 MET A 133 9.425 0.060 5.896 1.00 1.83 H ATOM 2140 HG2 MET A 133 8.207 -0.399 3.897 1.00 2.86 H ATOM 2141 HG3 MET A 133 7.056 -0.102 5.159 1.00 2.87 H ATOM 2142 HE1 MET A 133 5.281 0.102 3.002 1.00 4.64 H ATOM 2143 HE2 MET A 133 6.668 -0.097 1.932 1.00 4.91 H ATOM 2144 HE3 MET A 133 5.564 1.257 1.700 1.00 4.68 H ATOM 2145 N ASP A 134 8.159 0.589 8.578 1.00 1.15 N ATOM 2146 CA ASP A 134 7.464 -0.192 9.602 1.00 1.14 C ATOM 2147 C ASP A 134 6.458 0.670 10.361 1.00 0.99 C ATOM 2148 O ASP A 134 5.474 0.173 10.907 1.00 1.33 O ATOM 2149 CB ASP A 134 8.482 -0.786 10.576 1.00 1.38 C ATOM 2150 CG ASP A 134 7.851 -1.682 11.624 1.00 1.59 C ATOM 2151 OD1 ASP A 134 7.659 -2.884 11.352 1.00 2.13 O ATOM 2152 OD2 ASP A 134 7.510 -1.177 12.711 1.00 1.64 O ATOM 2153 H ASP A 134 9.125 0.738 8.688 1.00 1.24 H ATOM 2154 HA ASP A 134 6.934 -0.999 9.112 1.00 1.45 H ATOM 2155 HB2 ASP A 134 9.189 -1.368 10.011 1.00 1.93 H ATOM 2156 HB3 ASP A 134 9.007 0.016 11.078 1.00 1.43 H ATOM 2157 N LYS A 135 6.703 1.970 10.371 1.00 0.98 N ATOM 2158 CA LYS A 135 5.856 2.904 11.094 1.00 1.39 C ATOM 2159 C LYS A 135 4.916 3.631 10.140 1.00 1.35 C ATOM 2160 O LYS A 135 4.469 4.740 10.422 1.00 1.83 O ATOM 2161 CB LYS A 135 6.724 3.916 11.845 1.00 1.91 C ATOM 2162 CG LYS A 135 7.583 3.299 12.940 1.00 2.47 C ATOM 2163 CD LYS A 135 6.735 2.654 14.027 1.00 2.84 C ATOM 2164 CE LYS A 135 5.835 3.669 14.714 1.00 3.35 C ATOM 2165 NZ LYS A 135 5.034 3.053 15.801 1.00 3.79 N ATOM 2166 H LYS A 135 7.483 2.332 9.897 1.00 1.04 H ATOM 2167 HA LYS A 135 5.248 2.364 11.805 1.00 1.61 H ATOM 2168 HB2 LYS A 135 7.389 4.383 11.131 1.00 2.21 H ATOM 2169 HB3 LYS A 135 6.101 4.683 12.278 1.00 2.31 H ATOM 2170 HG2 LYS A 135 8.217 2.543 12.500 1.00 2.93 H ATOM 2171 HG3 LYS A 135 8.197 4.072 13.381 1.00 2.86 H ATOM 2172 HD2 LYS A 135 6.129 1.872 13.603 1.00 3.18 H ATOM 2173 HD3 LYS A 135 7.396 2.227 14.767 1.00 2.99 H ATOM 2174 HE2 LYS A 135 6.444 4.456 15.134 1.00 3.51 H ATOM 2175 HE3 LYS A 135 5.154 4.090 13.991 1.00 3.78 H ATOM 2176 HZ1 LYS A 135 4.426 2.298 15.420 1.00 3.85 H ATOM 2177 HZ2 LYS A 135 4.430 3.772 16.248 1.00 4.06 H ATOM 2178 HZ3 LYS A 135 5.660 2.647 16.527 1.00 4.27 H ATOM 2179 N GLY A 136 4.606 3.004 9.015 1.00 0.92 N ATOM 2180 CA GLY A 136 3.759 3.657 8.042 1.00 0.92 C ATOM 2181 C GLY A 136 2.737 2.737 7.409 1.00 0.75 C ATOM 2182 O GLY A 136 1.592 2.702 7.839 1.00 0.65 O ATOM 2183 H GLY A 136 4.927 2.100 8.832 1.00 0.79 H ATOM 2184 HA2 GLY A 136 3.220 4.478 8.500 1.00 1.03 H ATOM 2185 HA3 GLY A 136 4.388 4.058 7.261 1.00 1.05 H ATOM 2186 N TRP A 137 3.149 1.982 6.399 1.00 0.82 N ATOM 2187 CA TRP A 137 2.212 1.201 5.585 1.00 0.79 C ATOM 2188 C TRP A 137 1.496 0.091 6.377 1.00 0.71 C ATOM 2189 O TRP A 137 0.287 -0.078 6.221 1.00 0.64 O ATOM 2190 CB TRP A 137 2.920 0.635 4.357 1.00 1.04 C ATOM 2191 CG TRP A 137 1.993 0.004 3.372 1.00 1.02 C ATOM 2192 CD1 TRP A 137 1.116 0.648 2.559 1.00 1.71 C ATOM 2193 CD2 TRP A 137 1.861 -1.394 3.086 1.00 1.47 C ATOM 2194 NE1 TRP A 137 0.442 -0.259 1.788 1.00 1.71 N ATOM 2195 CE2 TRP A 137 0.879 -1.520 2.089 1.00 1.50 C ATOM 2196 CE3 TRP A 137 2.476 -2.549 3.575 1.00 2.57 C ATOM 2197 CZ2 TRP A 137 0.497 -2.754 1.570 1.00 2.15 C ATOM 2198 CZ3 TRP A 137 2.095 -3.775 3.062 1.00 3.39 C ATOM 2199 CH2 TRP A 137 1.116 -3.868 2.066 1.00 3.08 C ATOM 2200 H TRP A 137 4.113 1.955 6.181 1.00 0.96 H ATOM 2201 HA TRP A 137 1.464 1.872 5.244 1.00 0.75 H ATOM 2202 HB2 TRP A 137 3.444 1.425 3.861 1.00 1.20 H ATOM 2203 HB3 TRP A 137 3.636 -0.111 4.673 1.00 1.39 H ATOM 2204 HD1 TRP A 137 0.976 1.713 2.541 1.00 2.53 H ATOM 2205 HE1 TRP A 137 -0.245 -0.038 1.124 1.00 2.27 H ATOM 2206 HE3 TRP A 137 3.234 -2.497 4.343 1.00 2.93 H ATOM 2207 HZ2 TRP A 137 -0.256 -2.842 0.801 1.00 2.24 H ATOM 2208 HZ3 TRP A 137 2.560 -4.679 3.427 1.00 4.39 H ATOM 2209 HH2 TRP A 137 0.849 -4.848 1.694 1.00 3.78 H ATOM 2210 N PRO A 138 2.199 -0.698 7.221 1.00 0.77 N ATOM 2211 CA PRO A 138 1.539 -1.668 8.108 1.00 0.77 C ATOM 2212 C PRO A 138 0.517 -0.986 9.018 1.00 0.68 C ATOM 2213 O PRO A 138 -0.529 -1.551 9.342 1.00 0.66 O ATOM 2214 CB PRO A 138 2.688 -2.259 8.935 1.00 0.92 C ATOM 2215 CG PRO A 138 3.826 -1.317 8.744 1.00 0.98 C ATOM 2216 CD PRO A 138 3.661 -0.748 7.369 1.00 0.92 C ATOM 2217 HA PRO A 138 1.050 -2.451 7.546 1.00 0.78 H ATOM 2218 HB2 PRO A 138 2.413 -2.339 9.980 1.00 0.96 H ATOM 2219 HB3 PRO A 138 2.931 -3.239 8.555 1.00 0.99 H ATOM 2220 HG2 PRO A 138 3.767 -0.531 9.477 1.00 0.97 H ATOM 2221 HG3 PRO A 138 4.765 -1.845 8.825 1.00 1.09 H ATOM 2222 HD2 PRO A 138 4.100 0.219 7.330 1.00 0.94 H ATOM 2223 HD3 PRO A 138 4.103 -1.400 6.631 1.00 0.99 H ATOM 2224 N THR A 139 0.834 0.242 9.402 1.00 0.67 N ATOM 2225 CA THR A 139 -0.054 1.076 10.186 1.00 0.63 C ATOM 2226 C THR A 139 -1.225 1.532 9.315 1.00 0.54 C ATOM 2227 O THR A 139 -2.385 1.563 9.750 1.00 0.54 O ATOM 2228 CB THR A 139 0.731 2.291 10.724 1.00 0.67 C ATOM 2229 OG1 THR A 139 1.777 1.842 11.595 1.00 0.77 O ATOM 2230 CG2 THR A 139 -0.164 3.269 11.461 1.00 0.70 C ATOM 2231 H THR A 139 1.717 0.607 9.160 1.00 0.71 H ATOM 2232 HA THR A 139 -0.428 0.504 11.026 1.00 0.69 H ATOM 2233 HB THR A 139 1.178 2.807 9.900 1.00 0.64 H ATOM 2234 HG1 THR A 139 1.415 1.360 12.351 1.00 1.11 H ATOM 2235 HG21 THR A 139 0.450 3.968 12.010 1.00 1.36 H ATOM 2236 HG22 THR A 139 -0.804 2.737 12.154 1.00 1.15 H ATOM 2237 HG23 THR A 139 -0.764 3.802 10.760 1.00 1.14 H ATOM 2238 N ILE A 140 -0.902 1.845 8.062 1.00 0.53 N ATOM 2239 CA ILE A 140 -1.892 2.230 7.076 1.00 0.52 C ATOM 2240 C ILE A 140 -2.973 1.172 6.962 1.00 0.46 C ATOM 2241 O ILE A 140 -4.151 1.490 7.016 1.00 0.49 O ATOM 2242 CB ILE A 140 -1.266 2.456 5.679 1.00 0.58 C ATOM 2243 CG1 ILE A 140 -0.400 3.721 5.663 1.00 0.64 C ATOM 2244 CG2 ILE A 140 -2.340 2.523 4.603 1.00 0.63 C ATOM 2245 CD1 ILE A 140 0.312 3.943 4.343 1.00 0.71 C ATOM 2246 H ILE A 140 0.041 1.855 7.798 1.00 0.57 H ATOM 2247 HA ILE A 140 -2.338 3.111 7.394 1.00 0.55 H ATOM 2248 HB ILE A 140 -0.650 1.615 5.452 1.00 0.62 H ATOM 2249 HG12 ILE A 140 -1.026 4.582 5.850 1.00 0.65 H ATOM 2250 HG13 ILE A 140 0.339 3.657 6.427 1.00 0.66 H ATOM 2251 HG21 ILE A 140 -1.902 2.726 3.644 1.00 1.19 H ATOM 2252 HG22 ILE A 140 -3.046 3.301 4.842 1.00 1.08 H ATOM 2253 HG23 ILE A 140 -2.861 1.578 4.542 1.00 1.32 H ATOM 2254 HD11 ILE A 140 0.002 3.236 3.595 1.00 1.18 H ATOM 2255 HD12 ILE A 140 1.376 3.847 4.495 1.00 1.24 H ATOM 2256 HD13 ILE A 140 0.105 4.943 3.999 1.00 1.32 H ATOM 2257 N LEU A 141 -2.560 -0.085 6.836 1.00 0.43 N ATOM 2258 CA LEU A 141 -3.494 -1.188 6.636 1.00 0.40 C ATOM 2259 C LEU A 141 -4.507 -1.293 7.774 1.00 0.41 C ATOM 2260 O LEU A 141 -5.635 -1.746 7.568 1.00 0.43 O ATOM 2261 CB LEU A 141 -2.737 -2.507 6.489 1.00 0.41 C ATOM 2262 CG LEU A 141 -1.784 -2.577 5.299 1.00 0.46 C ATOM 2263 CD1 LEU A 141 -1.173 -3.965 5.196 1.00 0.54 C ATOM 2264 CD2 LEU A 141 -2.512 -2.206 4.012 1.00 0.46 C ATOM 2265 H LEU A 141 -1.592 -0.280 6.874 1.00 0.45 H ATOM 2266 HA LEU A 141 -4.037 -0.995 5.727 1.00 0.39 H ATOM 2267 HB2 LEU A 141 -2.166 -2.672 7.394 1.00 0.43 H ATOM 2268 HB3 LEU A 141 -3.463 -3.307 6.388 1.00 0.43 H ATOM 2269 HG LEU A 141 -0.985 -1.875 5.444 1.00 0.51 H ATOM 2270 HD11 LEU A 141 -0.566 -4.036 4.302 1.00 1.03 H ATOM 2271 HD12 LEU A 141 -1.954 -4.709 5.162 1.00 1.22 H ATOM 2272 HD13 LEU A 141 -0.549 -4.145 6.060 1.00 1.11 H ATOM 2273 HD21 LEU A 141 -3.455 -2.732 3.951 1.00 1.13 H ATOM 2274 HD22 LEU A 141 -1.902 -2.466 3.155 1.00 0.98 H ATOM 2275 HD23 LEU A 141 -2.696 -1.142 4.000 1.00 1.15 H ATOM 2276 N GLN A 142 -4.105 -0.875 8.967 1.00 0.45 N ATOM 2277 CA GLN A 142 -4.999 -0.915 10.116 1.00 0.51 C ATOM 2278 C GLN A 142 -6.073 0.159 9.976 1.00 0.49 C ATOM 2279 O GLN A 142 -7.269 -0.129 10.045 1.00 0.48 O ATOM 2280 CB GLN A 142 -4.219 -0.727 11.422 1.00 0.61 C ATOM 2281 CG GLN A 142 -3.082 -1.723 11.619 1.00 0.95 C ATOM 2282 CD GLN A 142 -3.525 -3.171 11.468 1.00 0.83 C ATOM 2283 OE1 GLN A 142 -3.959 -3.806 12.428 1.00 1.50 O ATOM 2284 NE2 GLN A 142 -3.391 -3.708 10.266 1.00 0.72 N ATOM 2285 H GLN A 142 -3.186 -0.547 9.092 1.00 0.48 H ATOM 2286 HA GLN A 142 -5.487 -1.882 10.136 1.00 0.53 H ATOM 2287 HB2 GLN A 142 -3.794 0.267 11.438 1.00 0.70 H ATOM 2288 HB3 GLN A 142 -4.902 -0.829 12.253 1.00 0.67 H ATOM 2289 HG2 GLN A 142 -2.315 -1.514 10.897 1.00 1.55 H ATOM 2290 HG3 GLN A 142 -2.679 -1.590 12.614 1.00 1.59 H ATOM 2291 HE21 GLN A 142 -3.018 -3.162 9.536 1.00 0.82 H ATOM 2292 HE22 GLN A 142 -3.672 -4.638 10.148 1.00 1.10 H ATOM 2293 N SER A 143 -5.644 1.396 9.744 1.00 0.52 N ATOM 2294 CA SER A 143 -6.582 2.500 9.569 1.00 0.55 C ATOM 2295 C SER A 143 -7.325 2.381 8.235 1.00 0.50 C ATOM 2296 O SER A 143 -8.414 2.922 8.075 1.00 0.53 O ATOM 2297 CB SER A 143 -5.846 3.835 9.660 1.00 0.64 C ATOM 2298 OG SER A 143 -5.149 3.941 10.890 1.00 1.47 O ATOM 2299 H SER A 143 -4.674 1.568 9.681 1.00 0.55 H ATOM 2300 HA SER A 143 -7.309 2.456 10.371 1.00 0.58 H ATOM 2301 HB2 SER A 143 -5.154 3.875 8.864 1.00 1.02 H ATOM 2302 HB3 SER A 143 -6.549 4.651 9.579 1.00 1.07 H ATOM 2303 HG SER A 143 -5.756 4.218 11.582 1.00 1.78 H ATOM 2304 N PHE A 144 -6.717 1.678 7.287 1.00 0.47 N ATOM 2305 CA PHE A 144 -7.336 1.358 6.006 1.00 0.45 C ATOM 2306 C PHE A 144 -8.630 0.585 6.227 1.00 0.41 C ATOM 2307 O PHE A 144 -9.695 0.987 5.761 1.00 0.41 O ATOM 2308 CB PHE A 144 -6.341 0.528 5.179 1.00 0.47 C ATOM 2309 CG PHE A 144 -6.856 0.015 3.862 1.00 0.42 C ATOM 2310 CD1 PHE A 144 -6.823 0.819 2.735 1.00 0.54 C ATOM 2311 CD2 PHE A 144 -7.392 -1.254 3.759 1.00 0.42 C ATOM 2312 CE1 PHE A 144 -7.316 0.363 1.527 1.00 0.55 C ATOM 2313 CE2 PHE A 144 -7.881 -1.716 2.553 1.00 0.41 C ATOM 2314 CZ PHE A 144 -7.764 -0.955 1.423 1.00 0.43 C ATOM 2315 H PHE A 144 -5.799 1.369 7.443 1.00 0.48 H ATOM 2316 HA PHE A 144 -7.553 2.279 5.488 1.00 0.50 H ATOM 2317 HB2 PHE A 144 -5.470 1.133 4.980 1.00 0.54 H ATOM 2318 HB3 PHE A 144 -6.039 -0.316 5.766 1.00 0.47 H ATOM 2319 HD1 PHE A 144 -6.406 1.815 2.799 1.00 0.68 H ATOM 2320 HD2 PHE A 144 -7.490 -1.865 4.642 1.00 0.52 H ATOM 2321 HE1 PHE A 144 -7.297 0.989 0.675 1.00 0.71 H ATOM 2322 HE2 PHE A 144 -8.230 -2.735 2.476 1.00 0.50 H ATOM 2323 HZ PHE A 144 -8.152 -1.320 0.484 1.00 0.46 H ATOM 2324 N GLN A 145 -8.528 -0.508 6.972 1.00 0.38 N ATOM 2325 CA GLN A 145 -9.686 -1.337 7.269 1.00 0.37 C ATOM 2326 C GLN A 145 -10.681 -0.595 8.147 1.00 0.39 C ATOM 2327 O GLN A 145 -11.884 -0.794 8.023 1.00 0.45 O ATOM 2328 CB GLN A 145 -9.248 -2.627 7.954 1.00 0.41 C ATOM 2329 CG GLN A 145 -8.505 -3.566 7.028 1.00 0.54 C ATOM 2330 CD GLN A 145 -7.760 -4.661 7.766 1.00 0.77 C ATOM 2331 OE1 GLN A 145 -8.291 -5.750 7.987 1.00 1.66 O ATOM 2332 NE2 GLN A 145 -6.527 -4.375 8.158 1.00 0.73 N ATOM 2333 H GLN A 145 -7.646 -0.762 7.337 1.00 0.39 H ATOM 2334 HA GLN A 145 -10.176 -1.585 6.334 1.00 0.37 H ATOM 2335 HB2 GLN A 145 -8.604 -2.374 8.785 1.00 0.52 H ATOM 2336 HB3 GLN A 145 -10.119 -3.151 8.331 1.00 0.45 H ATOM 2337 HG2 GLN A 145 -9.229 -4.026 6.376 1.00 1.06 H ATOM 2338 HG3 GLN A 145 -7.795 -3.002 6.438 1.00 1.02 H ATOM 2339 HE21 GLN A 145 -6.157 -3.489 7.959 1.00 0.95 H ATOM 2340 HE22 GLN A 145 -6.029 -5.070 8.637 1.00 1.12 H ATOM 2341 N ASP A 146 -10.178 0.264 9.023 1.00 0.40 N ATOM 2342 CA ASP A 146 -11.051 0.993 9.943 1.00 0.46 C ATOM 2343 C ASP A 146 -11.775 2.135 9.239 1.00 0.45 C ATOM 2344 O ASP A 146 -12.984 2.282 9.403 1.00 0.48 O ATOM 2345 CB ASP A 146 -10.289 1.529 11.151 1.00 0.56 C ATOM 2346 CG ASP A 146 -11.234 2.104 12.191 1.00 0.98 C ATOM 2347 OD1 ASP A 146 -12.018 1.339 12.787 1.00 1.21 O ATOM 2348 OD2 ASP A 146 -11.187 3.333 12.430 1.00 1.46 O ATOM 2349 H ASP A 146 -9.206 0.415 9.068 1.00 0.40 H ATOM 2350 HA ASP A 146 -11.801 0.294 10.300 1.00 0.51 H ATOM 2351 HB2 ASP A 146 -9.732 0.722 11.603 1.00 0.72 H ATOM 2352 HB3 ASP A 146 -9.603 2.305 10.836 1.00 0.80 H ATOM 2353 N LYS A 147 -11.048 2.949 8.465 1.00 0.46 N ATOM 2354 CA LYS A 147 -11.687 3.992 7.664 1.00 0.51 C ATOM 2355 C LYS A 147 -12.777 3.370 6.791 1.00 0.48 C ATOM 2356 O LYS A 147 -13.906 3.861 6.743 1.00 0.57 O ATOM 2357 CB LYS A 147 -10.640 4.707 6.791 1.00 0.58 C ATOM 2358 CG LYS A 147 -11.062 6.090 6.293 1.00 1.22 C ATOM 2359 CD LYS A 147 -12.190 6.027 5.274 1.00 1.82 C ATOM 2360 CE LYS A 147 -12.733 7.412 4.958 1.00 2.54 C ATOM 2361 NZ LYS A 147 -11.739 8.262 4.251 1.00 3.23 N ATOM 2362 H LYS A 147 -10.072 2.847 8.440 1.00 0.46 H ATOM 2363 HA LYS A 147 -12.140 4.705 8.342 1.00 0.57 H ATOM 2364 HB2 LYS A 147 -9.742 4.840 7.377 1.00 0.84 H ATOM 2365 HB3 LYS A 147 -10.401 4.091 5.932 1.00 1.03 H ATOM 2366 HG2 LYS A 147 -11.398 6.660 7.132 1.00 1.94 H ATOM 2367 HG3 LYS A 147 -10.208 6.576 5.844 1.00 1.65 H ATOM 2368 HD2 LYS A 147 -11.823 5.583 4.364 1.00 2.06 H ATOM 2369 HD3 LYS A 147 -12.993 5.451 5.653 1.00 2.37 H ATOM 2370 HE2 LYS A 147 -13.603 7.303 4.329 1.00 3.03 H ATOM 2371 HE3 LYS A 147 -13.020 7.899 5.881 1.00 2.71 H ATOM 2372 HZ1 LYS A 147 -11.212 7.702 3.555 1.00 3.40 H ATOM 2373 HZ2 LYS A 147 -11.065 8.666 4.933 1.00 3.72 H ATOM 2374 HZ3 LYS A 147 -12.223 9.041 3.760 1.00 3.64 H ATOM 2375 N ILE A 148 -12.436 2.270 6.135 1.00 0.40 N ATOM 2376 CA ILE A 148 -13.372 1.563 5.273 1.00 0.39 C ATOM 2377 C ILE A 148 -14.504 0.925 6.079 1.00 0.40 C ATOM 2378 O ILE A 148 -15.638 0.826 5.608 1.00 0.43 O ATOM 2379 CB ILE A 148 -12.644 0.494 4.435 1.00 0.36 C ATOM 2380 CG1 ILE A 148 -11.764 1.166 3.381 1.00 0.40 C ATOM 2381 CG2 ILE A 148 -13.630 -0.461 3.782 1.00 0.41 C ATOM 2382 CD1 ILE A 148 -11.001 0.190 2.516 1.00 0.40 C ATOM 2383 H ILE A 148 -11.519 1.918 6.225 1.00 0.38 H ATOM 2384 HA ILE A 148 -13.803 2.275 4.593 1.00 0.44 H ATOM 2385 HB ILE A 148 -12.015 -0.080 5.098 1.00 0.34 H ATOM 2386 HG12 ILE A 148 -12.383 1.765 2.728 1.00 0.47 H ATOM 2387 HG13 ILE A 148 -11.044 1.806 3.871 1.00 0.42 H ATOM 2388 HG21 ILE A 148 -14.468 0.093 3.378 1.00 1.04 H ATOM 2389 HG22 ILE A 148 -13.987 -1.163 4.514 1.00 1.13 H ATOM 2390 HG23 ILE A 148 -13.155 -0.995 2.995 1.00 1.13 H ATOM 2391 HD11 ILE A 148 -10.640 -0.630 3.117 1.00 1.15 H ATOM 2392 HD12 ILE A 148 -10.159 0.692 2.075 1.00 1.06 H ATOM 2393 HD13 ILE A 148 -11.644 -0.186 1.738 1.00 1.07 H ATOM 2394 N ASP A 149 -14.196 0.503 7.295 1.00 0.40 N ATOM 2395 CA ASP A 149 -15.198 -0.065 8.191 1.00 0.46 C ATOM 2396 C ASP A 149 -16.302 0.957 8.449 1.00 0.53 C ATOM 2397 O ASP A 149 -17.472 0.617 8.593 1.00 0.60 O ATOM 2398 CB ASP A 149 -14.538 -0.486 9.509 1.00 0.50 C ATOM 2399 CG ASP A 149 -15.481 -1.196 10.456 1.00 0.57 C ATOM 2400 OD1 ASP A 149 -15.836 -2.362 10.184 1.00 0.65 O ATOM 2401 OD2 ASP A 149 -15.847 -0.605 11.492 1.00 0.71 O ATOM 2402 H ASP A 149 -13.261 0.541 7.599 1.00 0.40 H ATOM 2403 HA ASP A 149 -15.628 -0.933 7.714 1.00 0.48 H ATOM 2404 HB2 ASP A 149 -13.732 -1.161 9.295 1.00 0.49 H ATOM 2405 HB3 ASP A 149 -14.148 0.382 10.012 1.00 0.53 H ATOM 2406 N GLU A 150 -15.909 2.221 8.461 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.834 3.322 8.673 1.00 0.69 C ATOM 2408 C GLU A 150 -17.591 3.660 7.389 1.00 0.72 C ATOM 2409 O GLU A 150 -18.620 4.326 7.425 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.083 4.551 9.185 1.00 0.79 C ATOM 2411 CG GLU A 150 -15.139 4.233 10.328 1.00 0.86 C ATOM 2412 CD GLU A 150 -14.736 5.445 11.132 1.00 1.09 C ATOM 2413 OE1 GLU A 150 -14.289 6.448 10.542 1.00 1.59 O ATOM 2414 OE2 GLU A 150 -14.862 5.389 12.373 1.00 1.39 O ATOM 2415 H GLU A 150 -14.957 2.434 8.323 1.00 0.54 H ATOM 2416 HA GLU A 150 -17.539 3.023 9.412 1.00 0.76 H ATOM 2417 HB2 GLU A 150 -15.497 4.975 8.380 1.00 0.79 H ATOM 2418 HB3 GLU A 150 -16.775 5.275 9.524 1.00 0.91 H ATOM 2419 HG2 GLU A 150 -15.598 3.524 10.973 1.00 1.03 H ATOM 2420 HG3 GLU A 150 -14.254 3.809 9.913 1.00 0.95 H ATOM 2421 N GLU A 151 -17.069 3.206 6.258 1.00 0.65 N ATOM 2422 CA GLU A 151 -17.650 3.526 4.957 1.00 0.76 C ATOM 2423 C GLU A 151 -18.929 2.738 4.683 1.00 0.79 C ATOM 2424 O GLU A 151 -19.747 3.141 3.853 1.00 0.95 O ATOM 2425 CB GLU A 151 -16.636 3.268 3.843 1.00 0.83 C ATOM 2426 CG GLU A 151 -15.413 4.165 3.923 1.00 0.97 C ATOM 2427 CD GLU A 151 -15.757 5.629 3.750 1.00 1.67 C ATOM 2428 OE1 GLU A 151 -16.223 6.247 4.725 1.00 2.34 O ATOM 2429 OE2 GLU A 151 -15.559 6.169 2.641 1.00 1.78 O ATOM 2430 H GLU A 151 -16.272 2.657 6.281 1.00 0.60 H ATOM 2431 HA GLU A 151 -17.910 4.575 4.953 1.00 0.88 H ATOM 2432 HB2 GLU A 151 -16.310 2.245 3.891 1.00 1.28 H ATOM 2433 HB3 GLU A 151 -17.109 3.435 2.882 1.00 1.30 H ATOM 2434 HG2 GLU A 151 -14.957 4.038 4.879 1.00 1.07 H ATOM 2435 HG3 GLU A 151 -14.718 3.879 3.150 1.00 1.36 H ATOM 2436 N GLY A 152 -19.101 1.613 5.365 1.00 0.83 N ATOM 2437 CA GLY A 152 -20.287 0.808 5.142 1.00 0.97 C ATOM 2438 C GLY A 152 -20.450 -0.313 6.147 1.00 0.89 C ATOM 2439 O GLY A 152 -20.611 -1.476 5.763 1.00 1.19 O ATOM 2440 H GLY A 152 -18.420 1.307 6.006 1.00 0.87 H ATOM 2441 HA2 GLY A 152 -21.165 1.443 5.200 1.00 1.21 H ATOM 2442 HA3 GLY A 152 -20.236 0.381 4.151 1.00 1.14 H ATOM 2443 N ALA A 153 -20.423 0.038 7.424 1.00 0.84 N ATOM 2444 CA ALA A 153 -20.582 -0.928 8.504 1.00 0.94 C ATOM 2445 C ALA A 153 -20.691 -0.215 9.848 1.00 0.98 C ATOM 2446 O ALA A 153 -21.638 -0.430 10.604 1.00 1.24 O ATOM 2447 CB ALA A 153 -19.421 -1.913 8.527 1.00 0.96 C ATOM 2448 H ALA A 153 -20.290 0.989 7.651 1.00 0.95 H ATOM 2449 HA ALA A 153 -21.495 -1.484 8.332 1.00 1.11 H ATOM 2450 HB1 ALA A 153 -19.618 -2.679 9.264 1.00 1.49 H ATOM 2451 HB2 ALA A 153 -18.507 -1.407 8.782 1.00 1.42 H ATOM 2452 HB3 ALA A 153 -19.313 -2.376 7.560 1.00 1.29 H ATOM 2453 N LYS A 154 -19.716 0.636 10.131 1.00 0.98 N ATOM 2454 CA LYS A 154 -19.651 1.340 11.405 1.00 1.03 C ATOM 2455 C LYS A 154 -20.363 2.692 11.337 1.00 1.16 C ATOM 2456 O LYS A 154 -21.378 2.910 11.999 1.00 1.47 O ATOM 2457 CB LYS A 154 -18.190 1.563 11.805 1.00 0.93 C ATOM 2458 CG LYS A 154 -18.025 2.139 13.199 1.00 1.05 C ATOM 2459 CD LYS A 154 -16.721 2.907 13.348 1.00 1.04 C ATOM 2460 CE LYS A 154 -15.494 2.036 13.122 1.00 0.92 C ATOM 2461 NZ LYS A 154 -14.242 2.811 13.330 1.00 1.30 N ATOM 2462 H LYS A 154 -19.021 0.815 9.456 1.00 1.13 H ATOM 2463 HA LYS A 154 -20.129 0.733 12.168 1.00 1.23 H ATOM 2464 HB2 LYS A 154 -17.695 0.613 11.784 1.00 1.03 H ATOM 2465 HB3 LYS A 154 -17.718 2.216 11.095 1.00 0.93 H ATOM 2466 HG2 LYS A 154 -18.837 2.814 13.427 1.00 1.38 H ATOM 2467 HG3 LYS A 154 -18.030 1.326 13.911 1.00 1.31 H ATOM 2468 HD2 LYS A 154 -16.712 3.722 12.644 1.00 1.43 H ATOM 2469 HD3 LYS A 154 -16.677 3.309 14.351 1.00 1.45 H ATOM 2470 HE2 LYS A 154 -15.514 1.206 13.812 1.00 1.32 H ATOM 2471 HE3 LYS A 154 -15.507 1.667 12.111 1.00 1.35 H ATOM 2472 HZ1 LYS A 154 -14.395 3.619 13.972 1.00 1.77 H ATOM 2473 HZ2 LYS A 154 -13.882 3.164 12.427 1.00 1.71 H ATOM 2474 HZ3 LYS A 154 -13.518 2.193 13.751 1.00 1.82 H ATOM 2475 N LYS A 155 -19.827 3.588 10.520 1.00 1.17 N ATOM 2476 CA LYS A 155 -20.271 4.974 10.485 1.00 1.44 C ATOM 2477 C LYS A 155 -21.375 5.177 9.446 1.00 1.80 C ATOM 2478 O LYS A 155 -21.166 4.809 8.271 1.00 1.29 O ATOM 2479 CB LYS A 155 -19.072 5.874 10.179 1.00 1.51 C ATOM 2480 CG LYS A 155 -19.407 7.342 9.993 1.00 1.75 C ATOM 2481 CD LYS A 155 -18.262 8.080 9.319 1.00 1.97 C ATOM 2482 CE LYS A 155 -17.880 7.429 7.994 1.00 1.74 C ATOM 2483 NZ LYS A 155 -19.043 7.312 7.074 1.00 2.33 N ATOM 2484 OXT LYS A 155 -22.446 5.703 9.818 1.00 1.29 O ATOM 2485 H LYS A 155 -19.172 3.296 9.871 1.00 1.18 H ATOM 2486 HA LYS A 155 -20.659 5.241 11.461 1.00 1.64 H ATOM 2487 HB2 LYS A 155 -18.358 5.789 10.985 1.00 2.03 H ATOM 2488 HB3 LYS A 155 -18.638 5.496 9.292 1.00 1.94 H ATOM 2489 HG2 LYS A 155 -20.288 7.453 9.379 1.00 2.25 H ATOM 2490 HG3 LYS A 155 -19.583 7.786 10.961 1.00 2.20 H ATOM 2491 HD2 LYS A 155 -18.564 9.100 9.133 1.00 2.30 H ATOM 2492 HD3 LYS A 155 -17.403 8.072 9.976 1.00 2.64 H ATOM 2493 HE2 LYS A 155 -17.139 8.053 7.519 1.00 1.93 H ATOM 2494 HE3 LYS A 155 -17.460 6.470 8.152 1.00 1.96 H ATOM 2495 HZ1 LYS A 155 -19.713 6.596 7.422 1.00 2.68 H ATOM 2496 HZ2 LYS A 155 -18.717 7.026 6.128 1.00 2.70 H ATOM 2497 HZ3 LYS A 155 -19.539 8.225 6.989 1.00 2.80 H TER 2498 LYS A 155 ATOM 2499 O5' DG B 1 36.940 -6.230 11.032 1.00 0.00 O ATOM 2500 C5' DG B 1 38.248 -6.434 11.570 1.00 0.00 C ATOM 2501 C4' DG B 1 38.530 -5.443 12.683 1.00 0.00 C ATOM 2502 O4' DG B 1 38.614 -4.113 12.123 1.00 0.00 O ATOM 2503 C3' DG B 1 37.478 -5.315 13.784 1.00 0.00 C ATOM 2504 O3' DG B 1 38.140 -4.811 14.957 1.00 0.00 O ATOM 2505 C2' DG B 1 36.487 -4.321 13.179 1.00 0.00 C ATOM 2506 C1' DG B 1 37.405 -3.386 12.351 1.00 0.00 C ATOM 2507 N9 DG B 1 36.938 -2.948 11.028 1.00 0.00 N ATOM 2508 C8 DG B 1 36.096 -3.591 10.168 1.00 0.00 C ATOM 2509 N7 DG B 1 35.939 -3.014 9.013 1.00 0.00 N ATOM 2510 C5 DG B 1 36.744 -1.883 9.106 1.00 0.00 C ATOM 2511 C6 DG B 1 36.981 -0.838 8.164 1.00 0.00 C ATOM 2512 O6 DG B 1 36.577 -0.756 7.005 1.00 0.00 O ATOM 2513 N1 DG B 1 37.790 0.170 8.669 1.00 0.00 N ATOM 2514 C2 DG B 1 38.349 0.147 9.925 1.00 0.00 C ATOM 2515 N2 DG B 1 39.100 1.174 10.303 1.00 0.00 N ATOM 2516 N3 DG B 1 38.163 -0.844 10.804 1.00 0.00 N ATOM 2517 C4 DG B 1 37.349 -1.827 10.340 1.00 0.00 C ATOM 2518 H5' DG B 1 38.989 -6.304 10.778 1.00 0.00 H ATOM 2519 H5'' DG B 1 38.322 -7.452 11.961 1.00 0.00 H ATOM 2520 H4' DG B 1 39.458 -5.748 13.179 1.00 0.00 H ATOM 2521 H3' DG B 1 37.015 -6.279 14.018 1.00 0.00 H ATOM 2522 H2' DG B 1 35.749 -4.833 12.565 1.00 0.00 H ATOM 2523 H2'' DG B 1 35.933 -3.796 13.950 1.00 0.00 H ATOM 2524 H1' DG B 1 37.671 -2.499 12.938 1.00 0.00 H ATOM 2525 H8 DG B 1 35.601 -4.517 10.410 1.00 0.00 H ATOM 2526 H1 DG B 1 37.967 0.948 8.061 1.00 0.00 H ATOM 2527 H21 DG B 1 39.262 1.942 9.667 1.00 0.00 H ATOM 2528 H22 DG B 1 39.507 1.189 11.227 1.00 0.00 H ATOM 2529 HO5' DG B 1 36.339 -6.797 11.520 1.00 0.00 H ATOM 2530 P DC B 2 37.294 -4.375 16.255 1.00 0.00 P ATOM 2531 OP1 DC B 2 38.137 -4.630 17.442 1.00 0.00 O ATOM 2532 OP2 DC B 2 35.917 -4.914 16.191 1.00 0.00 O ATOM 2533 O5' DC B 2 37.219 -2.798 16.120 1.00 0.00 O ATOM 2534 C5' DC B 2 38.387 -1.987 16.260 1.00 0.00 C ATOM 2535 C4' DC B 2 38.045 -0.573 15.861 1.00 0.00 C ATOM 2536 O4' DC B 2 37.656 -0.633 14.467 1.00 0.00 O ATOM 2537 C3' DC B 2 36.847 0.049 16.594 1.00 0.00 C ATOM 2538 O3' DC B 2 37.198 1.135 17.443 1.00 0.00 O ATOM 2539 C2' DC B 2 36.025 0.672 15.490 1.00 0.00 C ATOM 2540 C1' DC B 2 36.783 0.443 14.213 1.00 0.00 C ATOM 2541 N1 DC B 2 35.919 0.123 13.053 1.00 0.00 N ATOM 2542 C2 DC B 2 35.947 1.002 11.975 1.00 0.00 C ATOM 2543 O2 DC B 2 36.602 2.044 11.996 1.00 0.00 O ATOM 2544 N3 DC B 2 35.212 0.693 10.858 1.00 0.00 N ATOM 2545 C4 DC B 2 34.440 -0.405 10.835 1.00 0.00 C ATOM 2546 N4 DC B 2 33.754 -0.705 9.744 1.00 0.00 N ATOM 2547 C5 DC B 2 34.389 -1.279 11.959 1.00 0.00 C ATOM 2548 C6 DC B 2 35.129 -0.961 13.002 1.00 0.00 C ATOM 2549 H5' DC B 2 39.182 -2.362 15.610 1.00 0.00 H ATOM 2550 H5'' DC B 2 38.730 -2.008 17.299 1.00 0.00 H ATOM 2551 H4' DC B 2 38.915 0.068 16.047 1.00 0.00 H ATOM 2552 H3' DC B 2 36.285 -0.693 17.170 1.00 0.00 H ATOM 2553 H2' DC B 2 35.006 0.287 15.457 1.00 0.00 H ATOM 2554 H2'' DC B 2 35.984 1.751 15.601 1.00 0.00 H ATOM 2555 H1' DC B 2 37.404 1.316 13.960 1.00 0.00 H ATOM 2556 H41 DC B 2 33.763 -0.099 8.944 1.00 0.00 H ATOM 2557 H42 DC B 2 33.203 -1.551 9.722 1.00 0.00 H ATOM 2558 H5 DC B 2 33.761 -2.174 11.955 1.00 0.00 H ATOM 2559 H6 DC B 2 35.083 -1.613 13.876 1.00 0.00 H ATOM 2560 P DA B 3 36.036 2.052 18.092 1.00 0.00 P ATOM 2561 OP1 DA B 3 36.721 2.455 19.338 1.00 0.00 O ATOM 2562 OP2 DA B 3 34.783 1.265 18.156 1.00 0.00 O ATOM 2563 O5' DA B 3 35.867 3.288 17.095 1.00 0.00 O ATOM 2564 C5' DA B 3 36.861 4.315 16.979 1.00 0.00 C ATOM 2565 C4' DA B 3 36.278 5.505 16.242 1.00 0.00 C ATOM 2566 O4' DA B 3 35.937 5.041 14.906 1.00 0.00 O ATOM 2567 C3' DA B 3 34.992 6.104 16.844 1.00 0.00 C ATOM 2568 O3' DA B 3 35.012 7.547 16.762 1.00 0.00 O ATOM 2569 C2' DA B 3 33.895 5.504 15.977 1.00 0.00 C ATOM 2570 C1' DA B 3 34.575 5.296 14.612 1.00 0.00 C ATOM 2571 N9 DA B 3 34.051 4.163 13.812 1.00 0.00 N ATOM 2572 C8 DA B 3 33.961 2.859 14.216 1.00 0.00 C ATOM 2573 N7 DA B 3 33.382 2.077 13.339 1.00 0.00 N ATOM 2574 C5 DA B 3 33.094 2.939 12.278 1.00 0.00 C ATOM 2575 C6 DA B 3 32.420 2.780 11.053 1.00 0.00 C ATOM 2576 N6 DA B 3 31.835 1.636 10.713 1.00 0.00 N ATOM 2577 N1 DA B 3 32.219 3.855 10.264 1.00 0.00 N ATOM 2578 C2 DA B 3 32.670 5.040 10.671 1.00 0.00 C ATOM 2579 N3 DA B 3 33.327 5.317 11.788 1.00 0.00 N ATOM 2580 C4 DA B 3 33.516 4.213 12.552 1.00 0.00 C ATOM 2581 H5' DA B 3 37.717 3.932 16.422 1.00 0.00 H ATOM 2582 H5'' DA B 3 37.194 4.631 17.975 1.00 0.00 H ATOM 2583 H4' DA B 3 37.023 6.306 16.239 1.00 0.00 H ATOM 2584 H3' DA B 3 34.877 5.819 17.896 1.00 0.00 H ATOM 2585 H2' DA B 3 33.528 4.571 16.404 1.00 0.00 H ATOM 2586 H2'' DA B 3 33.043 6.174 15.911 1.00 0.00 H ATOM 2587 H1' DA B 3 34.534 6.209 14.005 1.00 0.00 H ATOM 2588 H8 DA B 3 34.227 2.538 15.197 1.00 0.00 H ATOM 2589 H61 DA B 3 31.360 1.555 9.825 1.00 0.00 H ATOM 2590 H62 DA B 3 31.867 0.846 11.343 1.00 0.00 H ATOM 2591 H2 DA B 3 32.477 5.882 10.007 1.00 0.00 H ATOM 2592 P DT B 4 33.719 8.419 17.219 1.00 0.00 P ATOM 2593 OP1 DT B 4 34.241 9.798 17.339 1.00 0.00 O ATOM 2594 OP2 DT B 4 33.121 7.763 18.402 1.00 0.00 O ATOM 2595 O5' DT B 4 32.790 8.304 15.947 1.00 0.00 O ATOM 2596 C5' DT B 4 31.439 8.709 15.952 1.00 0.00 C ATOM 2597 C4' DT B 4 30.977 8.802 14.515 1.00 0.00 C ATOM 2598 O4' DT B 4 31.613 7.729 13.774 1.00 0.00 O ATOM 2599 C3' DT B 4 29.504 8.578 14.200 1.00 0.00 C ATOM 2600 O3' DT B 4 28.613 9.639 14.588 1.00 0.00 O ATOM 2601 C2' DT B 4 29.570 8.305 12.713 1.00 0.00 C ATOM 2602 C1' DT B 4 30.757 7.322 12.696 1.00 0.00 C ATOM 2603 N1 DT B 4 30.395 5.849 12.872 1.00 0.00 N ATOM 2604 C2 DT B 4 29.612 5.313 11.856 1.00 0.00 C ATOM 2605 O2 DT B 4 29.119 5.979 10.952 1.00 0.00 O ATOM 2606 N3 DT B 4 29.398 3.948 11.923 1.00 0.00 N ATOM 2607 C4 DT B 4 29.734 3.118 12.975 1.00 0.00 C ATOM 2608 O4 DT B 4 29.417 1.930 12.947 1.00 0.00 O ATOM 2609 C5 DT B 4 30.488 3.779 14.020 1.00 0.00 C ATOM 2610 C7 DT B 4 30.731 2.994 15.294 1.00 0.00 C ATOM 2611 C6 DT B 4 30.819 5.068 13.882 1.00 0.00 C ATOM 2612 H5' DT B 4 31.332 9.684 16.436 1.00 0.00 H ATOM 2613 H5'' DT B 4 30.844 7.970 16.495 1.00 0.00 H ATOM 2614 H4' DT B 4 31.260 9.789 14.139 1.00 0.00 H ATOM 2615 H3' DT B 4 29.161 7.671 14.726 1.00 0.00 H ATOM 2616 H2' DT B 4 28.648 7.857 12.340 1.00 0.00 H ATOM 2617 H2'' DT B 4 29.747 9.218 12.141 1.00 0.00 H ATOM 2618 H1' DT B 4 31.336 7.427 11.772 1.00 0.00 H ATOM 2619 H3 DT B 4 28.942 3.538 11.142 1.00 0.00 H ATOM 2620 H71 DT B 4 29.772 2.717 15.739 1.00 0.00 H ATOM 2621 H72 DT B 4 31.293 2.087 15.065 1.00 0.00 H ATOM 2622 H73 DT B 4 31.294 3.588 16.014 1.00 0.00 H ATOM 2623 H6 DT B 4 31.456 5.521 14.629 1.00 0.00 H ATOM 2624 P DA B 5 28.815 11.207 14.214 1.00 0.00 P ATOM 2625 OP1 DA B 5 29.900 11.907 13.492 1.00 0.00 O ATOM 2626 OP2 DA B 5 28.535 11.538 15.627 1.00 0.00 O ATOM 2627 O5' DA B 5 27.474 11.451 13.368 1.00 0.00 O ATOM 2628 C5' DA B 5 27.304 10.975 11.998 1.00 0.00 C ATOM 2629 C4' DA B 5 26.169 9.959 11.884 1.00 0.00 C ATOM 2630 O4' DA B 5 26.621 8.572 11.826 1.00 0.00 O ATOM 2631 C3' DA B 5 25.149 9.911 13.027 1.00 0.00 C ATOM 2632 O3' DA B 5 24.218 11.048 13.018 1.00 0.00 O ATOM 2633 C2' DA B 5 24.491 8.531 12.857 1.00 0.00 C ATOM 2634 C1' DA B 5 25.440 7.746 11.908 1.00 0.00 C ATOM 2635 N9 DA B 5 25.848 6.362 12.296 1.00 0.00 N ATOM 2636 C8 DA B 5 26.587 5.985 13.375 1.00 0.00 C ATOM 2637 N7 DA B 5 26.862 4.711 13.440 1.00 0.00 N ATOM 2638 C5 DA B 5 26.264 4.210 12.287 1.00 0.00 C ATOM 2639 C6 DA B 5 26.169 2.916 11.746 1.00 0.00 C ATOM 2640 N6 DA B 5 26.750 1.869 12.324 1.00 0.00 N ATOM 2641 N1 DA B 5 25.493 2.719 10.602 1.00 0.00 N ATOM 2642 C2 DA B 5 24.934 3.775 10.017 1.00 0.00 C ATOM 2643 N3 DA B 5 24.944 5.043 10.419 1.00 0.00 N ATOM 2644 C4 DA B 5 25.639 5.204 11.576 1.00 0.00 C ATOM 2645 H5' DA B 5 28.218 10.530 11.630 1.00 0.00 H ATOM 2646 H5'' DA B 5 27.070 11.833 11.363 1.00 0.00 H ATOM 2647 H4' DA B 5 25.618 10.232 10.982 1.00 0.00 H ATOM 2648 H3' DA B 5 25.687 9.946 13.983 1.00 0.00 H ATOM 2649 H2' DA B 5 24.376 8.038 13.817 1.00 0.00 H ATOM 2650 H2'' DA B 5 23.495 8.624 12.424 1.00 0.00 H ATOM 2651 H1' DA B 5 25.011 7.705 10.893 1.00 0.00 H ATOM 2652 H8 DA B 5 26.912 6.685 14.130 1.00 0.00 H ATOM 2653 H61 DA B 5 26.663 0.952 11.912 1.00 0.00 H ATOM 2654 H62 DA B 5 27.278 1.992 13.177 1.00 0.00 H ATOM 2655 H2 DA B 5 24.399 3.577 9.088 1.00 0.00 H ATOM 2656 P DT B 6 23.265 11.396 11.742 1.00 0.00 P ATOM 2657 OP1 DT B 6 24.097 11.616 10.540 1.00 0.00 O ATOM 2658 OP2 DT B 6 22.364 12.469 12.215 1.00 0.00 O ATOM 2659 O5' DT B 6 22.379 10.084 11.542 1.00 0.00 O ATOM 2660 C5' DT B 6 21.788 9.773 10.277 1.00 0.00 C ATOM 2661 C4' DT B 6 20.891 8.557 10.401 1.00 0.00 C ATOM 2662 O4' DT B 6 21.697 7.430 10.814 1.00 0.00 O ATOM 2663 C3' DT B 6 19.752 8.622 11.440 1.00 0.00 C ATOM 2664 O3' DT B 6 18.472 8.988 10.834 1.00 0.00 O ATOM 2665 C2' DT B 6 19.750 7.235 12.101 1.00 0.00 C ATOM 2666 C1' DT B 6 20.824 6.447 11.336 1.00 0.00 C ATOM 2667 N1 DT B 6 21.652 5.449 12.120 1.00 0.00 N ATOM 2668 C2 DT B 6 21.642 4.133 11.657 1.00 0.00 C ATOM 2669 O2 DT B 6 20.957 3.739 10.718 1.00 0.00 O ATOM 2670 N3 DT B 6 22.454 3.236 12.321 1.00 0.00 N ATOM 2671 C4 DT B 6 23.263 3.525 13.400 1.00 0.00 C ATOM 2672 O4 DT B 6 24.040 2.683 13.841 1.00 0.00 O ATOM 2673 C5 DT B 6 23.153 4.882 13.883 1.00 0.00 C ATOM 2674 C7 DT B 6 23.763 5.186 15.236 1.00 0.00 C ATOM 2675 C6 DT B 6 22.391 5.788 13.221 1.00 0.00 C ATOM 2676 H5' DT B 6 22.576 9.564 9.550 1.00 0.00 H ATOM 2677 H5'' DT B 6 21.197 10.627 9.926 1.00 0.00 H ATOM 2678 H4' DT B 6 20.429 8.406 9.425 1.00 0.00 H ATOM 2679 H3' DT B 6 19.983 9.391 12.188 1.00 0.00 H ATOM 2680 H2' DT B 6 19.975 7.312 13.165 1.00 0.00 H ATOM 2681 H2'' DT B 6 18.770 6.759 12.027 1.00 0.00 H ATOM 2682 H1' DT B 6 20.373 5.924 10.476 1.00 0.00 H ATOM 2683 H3 DT B 6 22.468 2.291 11.984 1.00 0.00 H ATOM 2684 H71 DT B 6 24.466 4.398 15.518 1.00 0.00 H ATOM 2685 H72 DT B 6 24.294 6.134 15.203 1.00 0.00 H ATOM 2686 H73 DT B 6 22.972 5.242 15.985 1.00 0.00 H ATOM 2687 H6 DT B 6 22.334 6.806 13.600 1.00 0.00 H ATOM 2688 P DG B 7 17.686 8.014 9.792 1.00 0.00 P ATOM 2689 OP1 DG B 7 18.546 7.566 8.674 1.00 0.00 O ATOM 2690 OP2 DG B 7 16.434 8.739 9.484 1.00 0.00 O ATOM 2691 O5' DG B 7 17.272 6.719 10.628 1.00 0.00 O ATOM 2692 C5' DG B 7 16.635 5.610 9.976 1.00 0.00 C ATOM 2693 C4' DG B 7 16.342 4.503 10.971 1.00 0.00 C ATOM 2694 O4' DG B 7 17.601 3.994 11.488 1.00 0.00 O ATOM 2695 C3' DG B 7 15.495 4.859 12.209 1.00 0.00 C ATOM 2696 O3' DG B 7 14.210 4.217 12.096 1.00 0.00 O ATOM 2697 C2' DG B 7 16.307 4.304 13.380 1.00 0.00 C ATOM 2698 C1' DG B 7 17.326 3.378 12.728 1.00 0.00 C ATOM 2699 N9 DG B 7 18.583 3.196 13.462 1.00 0.00 N ATOM 2700 C8 DG B 7 19.306 4.137 14.121 1.00 0.00 C ATOM 2701 N7 DG B 7 20.360 3.688 14.741 1.00 0.00 N ATOM 2702 C5 DG B 7 20.337 2.325 14.448 1.00 0.00 C ATOM 2703 C6 DG B 7 21.237 1.287 14.827 1.00 0.00 C ATOM 2704 O6 DG B 7 22.250 1.374 15.516 1.00 0.00 O ATOM 2705 N1 DG B 7 20.853 0.047 14.344 1.00 0.00 N ATOM 2706 C2 DG B 7 19.752 -0.170 13.556 1.00 0.00 C ATOM 2707 N2 DG B 7 19.498 -1.410 13.164 1.00 0.00 N ATOM 2708 N3 DG B 7 18.903 0.792 13.186 1.00 0.00 N ATOM 2709 C4 DG B 7 19.254 2.015 13.661 1.00 0.00 C ATOM 2710 H5' DG B 7 17.292 5.221 9.193 1.00 0.00 H ATOM 2711 H5'' DG B 7 15.698 5.942 9.520 1.00 0.00 H ATOM 2712 H4' DG B 7 15.772 3.732 10.434 1.00 0.00 H ATOM 2713 H3' DG B 7 15.340 5.939 12.295 1.00 0.00 H ATOM 2714 H2' DG B 7 16.772 5.102 13.954 1.00 0.00 H ATOM 2715 H2'' DG B 7 15.695 3.734 14.066 1.00 0.00 H ATOM 2716 H1' DG B 7 16.889 2.386 12.523 1.00 0.00 H ATOM 2717 H8 DG B 7 19.043 5.182 14.126 1.00 0.00 H ATOM 2718 H1 DG B 7 21.438 -0.724 14.599 1.00 0.00 H ATOM 2719 H21 DG B 7 20.120 -2.161 13.427 1.00 0.00 H ATOM 2720 H22 DG B 7 18.682 -1.604 12.601 1.00 0.00 H ATOM 2721 P DA B 8 13.277 3.985 13.397 1.00 0.00 P ATOM 2722 OP1 DA B 8 11.895 3.947 12.864 1.00 0.00 O ATOM 2723 OP2 DA B 8 13.615 4.938 14.477 1.00 0.00 O ATOM 2724 O5' DA B 8 13.626 2.489 13.824 1.00 0.00 O ATOM 2725 C5' DA B 8 13.478 1.406 12.888 1.00 0.00 C ATOM 2726 C4' DA B 8 13.879 0.095 13.535 1.00 0.00 C ATOM 2727 O4' DA B 8 15.277 0.215 13.891 1.00 0.00 O ATOM 2728 C3' DA B 8 13.124 -0.304 14.816 1.00 0.00 C ATOM 2729 O3' DA B 8 12.490 -1.586 14.634 1.00 0.00 O ATOM 2730 C2' DA B 8 14.208 -0.389 15.884 1.00 0.00 C ATOM 2731 C1' DA B 8 15.533 -0.417 15.127 1.00 0.00 C ATOM 2732 N9 DA B 8 16.631 0.311 15.790 1.00 0.00 N ATOM 2733 C8 DA B 8 16.707 1.656 15.990 1.00 0.00 C ATOM 2734 N7 DA B 8 17.774 2.053 16.622 1.00 0.00 N ATOM 2735 C5 DA B 8 18.455 0.862 16.842 1.00 0.00 C ATOM 2736 C6 DA B 8 19.662 0.560 17.486 1.00 0.00 C ATOM 2737 N6 DA B 8 20.410 1.520 18.021 1.00 0.00 N ATOM 2738 N1 DA B 8 20.059 -0.721 17.561 1.00 0.00 N ATOM 2739 C2 DA B 8 19.298 -1.663 17.005 1.00 0.00 C ATOM 2740 N3 DA B 8 18.143 -1.511 16.377 1.00 0.00 N ATOM 2741 C4 DA B 8 17.776 -0.207 16.327 1.00 0.00 C ATOM 2742 H5' DA B 8 14.117 1.584 12.018 1.00 0.00 H ATOM 2743 H5'' DA B 8 12.437 1.344 12.557 1.00 0.00 H ATOM 2744 H4' DA B 8 13.698 -0.708 12.811 1.00 0.00 H ATOM 2745 H3' DA B 8 12.357 0.436 15.069 1.00 0.00 H ATOM 2746 H2' DA B 8 14.147 0.449 16.580 1.00 0.00 H ATOM 2747 H2'' DA B 8 14.112 -1.302 16.467 1.00 0.00 H ATOM 2748 H1' DA B 8 15.857 -1.444 14.918 1.00 0.00 H ATOM 2749 H8 DA B 8 15.927 2.333 15.689 1.00 0.00 H ATOM 2750 H61 DA B 8 21.277 1.285 18.483 1.00 0.00 H ATOM 2751 H62 DA B 8 20.110 2.482 17.966 1.00 0.00 H ATOM 2752 H2 DA B 8 19.674 -2.684 17.076 1.00 0.00 H ATOM 2753 P DT B 9 11.545 -2.215 15.793 1.00 0.00 P ATOM 2754 OP1 DT B 9 10.831 -3.335 15.141 1.00 0.00 O ATOM 2755 OP2 DT B 9 10.779 -1.120 16.427 1.00 0.00 O ATOM 2756 O5' DT B 9 12.591 -2.825 16.842 1.00 0.00 O ATOM 2757 C5' DT B 9 13.266 -4.068 16.577 1.00 0.00 C ATOM 2758 C4' DT B 9 14.408 -4.279 17.557 1.00 0.00 C ATOM 2759 O4' DT B 9 15.288 -3.130 17.550 1.00 0.00 O ATOM 2760 C3' DT B 9 14.057 -4.449 19.041 1.00 0.00 C ATOM 2761 O3' DT B 9 13.878 -5.826 19.389 1.00 0.00 O ATOM 2762 C2' DT B 9 15.296 -3.926 19.764 1.00 0.00 C ATOM 2763 C1' DT B 9 16.124 -3.239 18.702 1.00 0.00 C ATOM 2764 N1 DT B 9 16.559 -1.895 19.159 1.00 0.00 N ATOM 2765 C2 DT B 9 17.797 -1.814 19.778 1.00 0.00 C ATOM 2766 O2 DT B 9 18.504 -2.788 20.011 1.00 0.00 O ATOM 2767 N3 DT B 9 18.211 -0.543 20.118 1.00 0.00 N ATOM 2768 C4 DT B 9 17.470 0.615 20.006 1.00 0.00 C ATOM 2769 O4 DT B 9 17.943 1.683 20.389 1.00 0.00 O ATOM 2770 C5 DT B 9 16.166 0.422 19.402 1.00 0.00 C ATOM 2771 C7 DT B 9 15.227 1.609 19.371 1.00 0.00 C ATOM 2772 C6 DT B 9 15.782 -0.801 18.994 1.00 0.00 C ATOM 2773 H5' DT B 9 13.670 -4.056 15.559 1.00 0.00 H ATOM 2774 H5'' DT B 9 12.555 -4.891 16.664 1.00 0.00 H ATOM 2775 H4' DT B 9 14.921 -5.205 17.256 1.00 0.00 H ATOM 2776 H3' DT B 9 13.153 -3.890 19.306 1.00 0.00 H ATOM 2777 H2' DT B 9 15.031 -3.256 20.584 1.00 0.00 H ATOM 2778 H2'' DT B 9 15.886 -4.742 20.193 1.00 0.00 H ATOM 2779 H1' DT B 9 17.008 -3.830 18.423 1.00 0.00 H ATOM 2780 H3 DT B 9 19.145 -0.437 20.434 1.00 0.00 H ATOM 2781 H71 DT B 9 15.624 2.419 19.987 1.00 0.00 H ATOM 2782 H72 DT B 9 15.121 1.964 18.349 1.00 0.00 H ATOM 2783 H73 DT B 9 14.247 1.319 19.755 1.00 0.00 H ATOM 2784 H6 DT B 9 14.787 -0.924 18.573 1.00 0.00 H ATOM 2785 P DA B 10 13.729 -6.247 20.940 1.00 0.00 P ATOM 2786 OP1 DA B 10 13.650 -7.723 20.892 1.00 0.00 O ATOM 2787 OP2 DA B 10 12.558 -5.466 21.397 1.00 0.00 O ATOM 2788 O5' DA B 10 15.080 -5.787 21.587 1.00 0.00 O ATOM 2789 C5' DA B 10 15.236 -5.743 22.965 1.00 0.00 C ATOM 2790 C4' DA B 10 16.710 -5.742 23.252 1.00 0.00 C ATOM 2791 O4' DA B 10 17.282 -4.624 22.593 1.00 0.00 O ATOM 2792 C3' DA B 10 17.111 -5.616 24.700 1.00 0.00 C ATOM 2793 O3' DA B 10 17.458 -6.893 25.061 1.00 0.00 O ATOM 2794 C2' DA B 10 18.342 -4.753 24.712 1.00 0.00 C ATOM 2795 C1' DA B 10 18.149 -3.949 23.463 1.00 0.00 C ATOM 2796 N9 DA B 10 17.650 -2.592 23.581 1.00 0.00 N ATOM 2797 C8 DA B 10 16.557 -1.943 23.117 1.00 0.00 C ATOM 2798 N7 DA B 10 16.700 -0.658 22.945 1.00 0.00 N ATOM 2799 C5 DA B 10 17.985 -0.437 23.440 1.00 0.00 C ATOM 2800 C6 DA B 10 18.753 0.725 23.619 1.00 0.00 C ATOM 2801 N6 DA B 10 18.347 1.906 23.138 1.00 0.00 N ATOM 2802 N1 DA B 10 19.927 0.630 24.282 1.00 0.00 N ATOM 2803 C2 DA B 10 20.336 -0.572 24.688 1.00 0.00 C ATOM 2804 N3 DA B 10 19.735 -1.743 24.534 1.00 0.00 N ATOM 2805 C4 DA B 10 18.548 -1.604 23.892 1.00 0.00 C ATOM 2806 H5' DA B 10 14.772 -6.617 23.436 1.00 0.00 H ATOM 2807 H5'' DA B 10 14.776 -4.831 23.355 1.00 0.00 H ATOM 2808 H4' DA B 10 17.118 -6.691 22.899 1.00 0.00 H ATOM 2809 H3' DA B 10 16.308 -5.233 25.338 1.00 0.00 H ATOM 2810 H2' DA B 10 18.394 -4.132 25.603 1.00 0.00 H ATOM 2811 H2'' DA B 10 19.243 -5.368 24.700 1.00 0.00 H ATOM 2812 H1' DA B 10 19.103 -3.890 22.927 1.00 0.00 H ATOM 2813 H8 DA B 10 15.630 -2.450 22.912 1.00 0.00 H ATOM 2814 H61 DA B 10 18.913 2.729 23.276 1.00 0.00 H ATOM 2815 H62 DA B 10 17.473 1.971 22.636 1.00 0.00 H ATOM 2816 H2 DA B 10 21.290 -0.596 25.216 1.00 0.00 H ATOM 2817 P DG B 11 16.885 -7.463 26.375 1.00 0.00 P ATOM 2818 OP1 DG B 11 17.554 -8.765 26.590 1.00 0.00 O ATOM 2819 OP2 DG B 11 15.409 -7.369 26.401 1.00 0.00 O ATOM 2820 O5' DG B 11 17.618 -6.597 27.478 1.00 0.00 O ATOM 2821 C5' DG B 11 16.960 -5.774 28.420 1.00 0.00 C ATOM 2822 C4' DG B 11 18.021 -4.919 29.064 1.00 0.00 C ATOM 2823 O4' DG B 11 18.657 -4.225 27.968 1.00 0.00 O ATOM 2824 C3' DG B 11 17.638 -3.826 30.059 1.00 0.00 C ATOM 2825 O3' DG B 11 17.577 -4.350 31.388 1.00 0.00 O ATOM 2826 C2' DG B 11 18.809 -2.861 29.913 1.00 0.00 C ATOM 2827 C1' DG B 11 19.115 -2.960 28.400 1.00 0.00 C ATOM 2828 N9 DG B 11 18.432 -1.915 27.633 1.00 0.00 N ATOM 2829 C8 DG B 11 17.239 -1.942 26.973 1.00 0.00 C ATOM 2830 N7 DG B 11 16.854 -0.778 26.526 1.00 0.00 N ATOM 2831 C5 DG B 11 17.884 0.082 26.914 1.00 0.00 C ATOM 2832 C6 DG B 11 18.047 1.492 26.747 1.00 0.00 C ATOM 2833 O6 DG B 11 17.286 2.288 26.203 1.00 0.00 O ATOM 2834 N1 DG B 11 19.237 1.964 27.284 1.00 0.00 N ATOM 2835 C2 DG B 11 20.167 1.178 27.914 1.00 0.00 C ATOM 2836 N2 DG B 11 21.262 1.760 28.388 1.00 0.00 N ATOM 2837 N3 DG B 11 20.019 -0.135 28.102 1.00 0.00 N ATOM 2838 C4 DG B 11 18.863 -0.618 27.576 1.00 0.00 C ATOM 2839 H5' DG B 11 16.466 -6.383 29.178 1.00 0.00 H ATOM 2840 H5'' DG B 11 16.223 -5.139 27.920 1.00 0.00 H ATOM 2841 H4' DG B 11 18.714 -5.592 29.580 1.00 0.00 H ATOM 2842 H3' DG B 11 16.677 -3.362 29.804 1.00 0.00 H ATOM 2843 HO3' DG B 11 17.739 -3.620 31.991 1.00 0.00 H ATOM 2844 H2' DG B 11 18.529 -1.848 30.216 1.00 0.00 H ATOM 2845 H2'' DG B 11 19.645 -3.161 30.551 1.00 0.00 H ATOM 2846 H1' DG B 11 20.191 -2.906 28.200 1.00 0.00 H ATOM 2847 H8 DG B 11 16.656 -2.842 26.843 1.00 0.00 H ATOM 2848 H1 DG B 11 19.423 2.946 27.214 1.00 0.00 H ATOM 2849 H21 DG B 11 21.402 2.752 28.262 1.00 0.00 H ATOM 2850 H22 DG B 11 21.955 1.210 28.876 1.00 0.00 H TER 2851 DG B 11 ATOM 2852 O5' DC C 12 23.296 11.067 28.630 1.00 0.00 O ATOM 2853 C5' DC C 12 23.768 10.497 27.405 1.00 0.00 C ATOM 2854 C4' DC C 12 24.067 9.023 27.585 1.00 0.00 C ATOM 2855 O4' DC C 12 22.803 8.332 27.785 1.00 0.00 O ATOM 2856 C3' DC C 12 24.750 8.296 26.409 1.00 0.00 C ATOM 2857 O3' DC C 12 26.193 8.276 26.595 1.00 0.00 O ATOM 2858 C2' DC C 12 24.121 6.903 26.452 1.00 0.00 C ATOM 2859 C1' DC C 12 22.983 6.953 27.498 1.00 0.00 C ATOM 2860 N1 DC C 12 21.714 6.372 26.943 1.00 0.00 N ATOM 2861 C2 DC C 12 21.226 5.152 27.396 1.00 0.00 C ATOM 2862 O2 DC C 12 21.767 4.554 28.323 1.00 0.00 O ATOM 2863 N3 DC C 12 20.132 4.603 26.786 1.00 0.00 N ATOM 2864 C4 DC C 12 19.551 5.228 25.755 1.00 0.00 C ATOM 2865 N4 DC C 12 18.488 4.672 25.183 1.00 0.00 N ATOM 2866 C5 DC C 12 20.048 6.471 25.256 1.00 0.00 C ATOM 2867 C6 DC C 12 21.113 7.003 25.891 1.00 0.00 C ATOM 2868 H5' DC C 12 24.673 11.018 27.087 1.00 0.00 H ATOM 2869 H5'' DC C 12 23.003 10.614 26.635 1.00 0.00 H ATOM 2870 H4' DC C 12 24.741 8.931 28.444 1.00 0.00 H ATOM 2871 H3' DC C 12 24.531 8.802 25.462 1.00 0.00 H ATOM 2872 H2' DC C 12 23.754 6.644 25.470 1.00 0.00 H ATOM 2873 H2'' DC C 12 24.834 6.145 26.725 1.00 0.00 H ATOM 2874 H1' DC C 12 23.251 6.437 28.429 1.00 0.00 H ATOM 2875 H41 DC C 12 18.141 3.795 25.523 1.00 0.00 H ATOM 2876 H42 DC C 12 18.036 5.127 24.403 1.00 0.00 H ATOM 2877 H5 DC C 12 19.586 6.967 24.398 1.00 0.00 H ATOM 2878 H6 DC C 12 21.500 7.969 25.549 1.00 0.00 H ATOM 2879 HO5' DC C 12 22.676 10.444 29.015 1.00 0.00 H ATOM 2880 P DT C 13 27.176 7.458 25.574 1.00 0.00 P ATOM 2881 OP1 DT C 13 28.525 7.935 25.945 1.00 0.00 O ATOM 2882 OP2 DT C 13 26.730 7.524 24.164 1.00 0.00 O ATOM 2883 O5' DT C 13 27.031 5.965 26.087 1.00 0.00 O ATOM 2884 C5' DT C 13 27.196 5.630 27.469 1.00 0.00 C ATOM 2885 C4' DT C 13 26.889 4.160 27.647 1.00 0.00 C ATOM 2886 O4' DT C 13 25.518 3.866 27.256 1.00 0.00 O ATOM 2887 C3' DT C 13 27.762 3.257 26.780 1.00 0.00 C ATOM 2888 O3' DT C 13 28.223 2.220 27.633 1.00 0.00 O ATOM 2889 C2' DT C 13 26.828 2.789 25.661 1.00 0.00 C ATOM 2890 C1' DT C 13 25.466 2.772 26.333 1.00 0.00 C ATOM 2891 N1 DT C 13 24.238 2.980 25.468 1.00 0.00 N ATOM 2892 C2 DT C 13 23.177 2.091 25.595 1.00 0.00 C ATOM 2893 O2 DT C 13 23.214 1.067 26.273 1.00 0.00 O ATOM 2894 N3 DT C 13 22.047 2.406 24.882 1.00 0.00 N ATOM 2895 C4 DT C 13 21.906 3.467 24.004 1.00 0.00 C ATOM 2896 O4 DT C 13 20.876 3.606 23.338 1.00 0.00 O ATOM 2897 C5 DT C 13 23.054 4.357 23.969 1.00 0.00 C ATOM 2898 C7 DT C 13 22.990 5.510 22.984 1.00 0.00 C ATOM 2899 C6 DT C 13 24.156 4.093 24.699 1.00 0.00 C ATOM 2900 H5' DT C 13 26.518 6.219 28.092 1.00 0.00 H ATOM 2901 H5'' DT C 13 28.226 5.837 27.780 1.00 0.00 H ATOM 2902 H4' DT C 13 27.107 3.891 28.688 1.00 0.00 H ATOM 2903 H3' DT C 13 28.628 3.798 26.385 1.00 0.00 H ATOM 2904 H2' DT C 13 26.863 3.459 24.805 1.00 0.00 H ATOM 2905 H2'' DT C 13 27.083 1.803 25.304 1.00 0.00 H ATOM 2906 H1' DT C 13 25.333 1.852 26.922 1.00 0.00 H ATOM 2907 H3 DT C 13 21.196 1.926 25.094 1.00 0.00 H ATOM 2908 H71 DT C 13 22.195 6.197 23.279 1.00 0.00 H ATOM 2909 H72 DT C 13 23.937 6.053 22.960 1.00 0.00 H ATOM 2910 H73 DT C 13 22.779 5.126 21.983 1.00 0.00 H ATOM 2911 H6 DT C 13 25.006 4.779 24.652 1.00 0.00 H ATOM 2912 P DA C 14 29.179 1.098 27.048 1.00 0.00 P ATOM 2913 OP1 DA C 14 29.568 0.258 28.202 1.00 0.00 O ATOM 2914 OP2 DA C 14 30.209 1.844 26.296 1.00 0.00 O ATOM 2915 O5' DA C 14 28.162 0.278 26.182 1.00 0.00 O ATOM 2916 C5' DA C 14 28.554 -0.356 25.023 1.00 0.00 C ATOM 2917 C4' DA C 14 27.436 -1.273 24.608 1.00 0.00 C ATOM 2918 O4' DA C 14 26.181 -0.568 24.478 1.00 0.00 O ATOM 2919 C3' DA C 14 27.677 -1.928 23.269 1.00 0.00 C ATOM 2920 O3' DA C 14 28.450 -3.101 23.573 1.00 0.00 O ATOM 2921 C2' DA C 14 26.283 -2.028 22.654 1.00 0.00 C ATOM 2922 C1' DA C 14 25.330 -1.315 23.616 1.00 0.00 C ATOM 2923 N9 DA C 14 24.374 -0.367 22.996 1.00 0.00 N ATOM 2924 C8 DA C 14 24.592 0.970 22.914 1.00 0.00 C ATOM 2925 N7 DA C 14 23.627 1.648 22.359 1.00 0.00 N ATOM 2926 C5 DA C 14 22.675 0.670 22.081 1.00 0.00 C ATOM 2927 C6 DA C 14 21.387 0.714 21.514 1.00 0.00 C ATOM 2928 N6 DA C 14 20.770 1.843 21.163 1.00 0.00 N ATOM 2929 N1 DA C 14 20.715 -0.434 21.344 1.00 0.00 N ATOM 2930 C2 DA C 14 21.271 -1.578 21.725 1.00 0.00 C ATOM 2931 N3 DA C 14 22.464 -1.750 22.288 1.00 0.00 N ATOM 2932 C4 DA C 14 23.124 -0.573 22.451 1.00 0.00 C ATOM 2933 H5' DA C 14 29.464 -0.941 25.197 1.00 0.00 H ATOM 2934 H5'' DA C 14 28.745 0.390 24.244 1.00 0.00 H ATOM 2935 H4' DA C 14 27.397 -2.075 25.354 1.00 0.00 H ATOM 2936 H3' DA C 14 28.307 -1.286 22.640 1.00 0.00 H ATOM 2937 H2' DA C 14 26.298 -1.551 21.693 1.00 0.00 H ATOM 2938 H2'' DA C 14 25.988 -3.057 22.486 1.00 0.00 H ATOM 2939 H1' DA C 14 24.768 -2.030 24.233 1.00 0.00 H ATOM 2940 H8 DA C 14 25.495 1.441 23.279 1.00 0.00 H ATOM 2941 H61 DA C 14 19.844 1.808 20.761 1.00 0.00 H ATOM 2942 H62 DA C 14 21.229 2.731 21.301 1.00 0.00 H ATOM 2943 H2 DA C 14 20.686 -2.479 21.547 1.00 0.00 H ATOM 2944 P DT C 15 27.767 -4.471 24.048 1.00 0.00 P ATOM 2945 OP1 DT C 15 27.176 -4.629 25.395 1.00 0.00 O ATOM 2946 OP2 DT C 15 28.849 -5.389 23.629 1.00 0.00 O ATOM 2947 O5' DT C 15 26.619 -4.710 22.960 1.00 0.00 O ATOM 2948 C5' DT C 15 25.566 -5.669 23.142 1.00 0.00 C ATOM 2949 C4' DT C 15 24.829 -5.884 21.830 1.00 0.00 C ATOM 2950 O4' DT C 15 24.152 -4.652 21.437 1.00 0.00 O ATOM 2951 C3' DT C 15 25.691 -6.292 20.617 1.00 0.00 C ATOM 2952 O3' DT C 15 25.149 -7.491 20.055 1.00 0.00 O ATOM 2953 C2' DT C 15 25.555 -5.110 19.659 1.00 0.00 C ATOM 2954 C1' DT C 15 24.179 -4.546 20.020 1.00 0.00 C ATOM 2955 N1 DT C 15 23.885 -3.099 19.636 1.00 0.00 N ATOM 2956 C2 DT C 15 22.629 -2.772 19.141 1.00 0.00 C ATOM 2957 O2 DT C 15 21.742 -3.592 18.926 1.00 0.00 O ATOM 2958 N3 DT C 15 22.419 -1.435 18.876 1.00 0.00 N ATOM 2959 C4 DT C 15 23.336 -0.417 19.032 1.00 0.00 C ATOM 2960 O4 DT C 15 23.024 0.747 18.808 1.00 0.00 O ATOM 2961 C5 DT C 15 24.636 -0.856 19.493 1.00 0.00 C ATOM 2962 C7 DT C 15 25.759 0.163 19.443 1.00 0.00 C ATOM 2963 C6 DT C 15 24.846 -2.156 19.793 1.00 0.00 C ATOM 2964 H5' DT C 15 24.863 -5.298 23.891 1.00 0.00 H ATOM 2965 H5'' DT C 15 25.984 -6.620 23.485 1.00 0.00 H ATOM 2966 H4' DT C 15 24.127 -6.712 21.984 1.00 0.00 H ATOM 2967 H3' DT C 15 26.733 -6.475 20.902 1.00 0.00 H ATOM 2968 H2' DT C 15 26.356 -4.394 19.823 1.00 0.00 H ATOM 2969 H2'' DT C 15 25.621 -5.416 18.625 1.00 0.00 H ATOM 2970 H1' DT C 15 23.374 -5.184 19.620 1.00 0.00 H ATOM 2971 H3 DT C 15 21.497 -1.175 18.604 1.00 0.00 H ATOM 2972 H71 DT C 15 25.655 0.856 20.275 1.00 0.00 H ATOM 2973 H72 DT C 15 25.709 0.721 18.504 1.00 0.00 H ATOM 2974 H73 DT C 15 26.732 -0.329 19.506 1.00 0.00 H ATOM 2975 H6 DT C 15 25.837 -2.461 20.093 1.00 0.00 H ATOM 2976 P DC C 16 25.659 -8.036 18.626 1.00 0.00 P ATOM 2977 OP1 DC C 16 25.581 -9.508 18.755 1.00 0.00 O ATOM 2978 OP2 DC C 16 26.920 -7.398 18.188 1.00 0.00 O ATOM 2979 O5' DC C 16 24.482 -7.602 17.638 1.00 0.00 O ATOM 2980 C5' DC C 16 23.121 -7.976 17.911 1.00 0.00 C ATOM 2981 C4' DC C 16 22.202 -7.525 16.791 1.00 0.00 C ATOM 2982 O4' DC C 16 22.134 -6.079 16.769 1.00 0.00 O ATOM 2983 C3' DC C 16 22.583 -7.937 15.365 1.00 0.00 C ATOM 2984 O3' DC C 16 21.371 -8.320 14.696 1.00 0.00 O ATOM 2985 C2' DC C 16 23.155 -6.663 14.749 1.00 0.00 C ATOM 2986 C1' DC C 16 22.337 -5.577 15.452 1.00 0.00 C ATOM 2987 N1 DC C 16 22.925 -4.205 15.612 1.00 0.00 N ATOM 2988 C2 DC C 16 22.234 -3.109 15.104 1.00 0.00 C ATOM 2989 O2 DC C 16 21.209 -3.245 14.439 1.00 0.00 O ATOM 2990 N3 DC C 16 22.718 -1.854 15.321 1.00 0.00 N ATOM 2991 C4 DC C 16 23.859 -1.686 15.998 1.00 0.00 C ATOM 2992 N4 DC C 16 24.324 -0.452 16.161 1.00 0.00 N ATOM 2993 C5 DC C 16 24.569 -2.792 16.561 1.00 0.00 C ATOM 2994 C6 DC C 16 24.061 -4.020 16.346 1.00 0.00 C ATOM 2995 H5' DC C 16 22.795 -7.515 18.846 1.00 0.00 H ATOM 2996 H5'' DC C 16 23.055 -9.064 18.013 1.00 0.00 H ATOM 2997 H4' DC C 16 21.222 -7.979 16.975 1.00 0.00 H ATOM 2998 H3' DC C 16 23.292 -8.770 15.357 1.00 0.00 H ATOM 2999 H2' DC C 16 24.227 -6.567 14.941 1.00 0.00 H ATOM 3000 H2'' DC C 16 23.022 -6.670 13.669 1.00 0.00 H ATOM 3001 H1' DC C 16 21.344 -5.479 14.985 1.00 0.00 H ATOM 3002 H41 DC C 16 23.855 0.335 15.745 1.00 0.00 H ATOM 3003 H42 DC C 16 25.175 -0.305 16.684 1.00 0.00 H ATOM 3004 H5 DC C 16 25.498 -2.646 17.112 1.00 0.00 H ATOM 3005 H6 DC C 16 24.579 -4.883 16.760 1.00 0.00 H ATOM 3006 P DA C 17 21.407 -9.224 13.364 1.00 0.00 P ATOM 3007 OP1 DA C 17 20.170 -10.032 13.414 1.00 0.00 O ATOM 3008 OP2 DA C 17 22.720 -9.893 13.229 1.00 0.00 O ATOM 3009 O5' DA C 17 21.224 -8.175 12.180 1.00 0.00 O ATOM 3010 C5' DA C 17 22.122 -8.130 11.068 1.00 0.00 C ATOM 3011 C4' DA C 17 21.845 -6.889 10.248 1.00 0.00 C ATOM 3012 O4' DA C 17 21.865 -5.779 11.177 1.00 0.00 O ATOM 3013 C3' DA C 17 22.856 -6.532 9.142 1.00 0.00 C ATOM 3014 O3' DA C 17 22.266 -6.511 7.854 1.00 0.00 O ATOM 3015 C2' DA C 17 23.244 -5.098 9.435 1.00 0.00 C ATOM 3016 C1' DA C 17 22.283 -4.627 10.487 1.00 0.00 C ATOM 3017 N9 DA C 17 22.950 -3.719 11.408 1.00 0.00 N ATOM 3018 C8 DA C 17 23.879 -3.996 12.362 1.00 0.00 C ATOM 3019 N7 DA C 17 24.411 -2.952 12.930 1.00 0.00 N ATOM 3020 C5 DA C 17 23.709 -1.901 12.348 1.00 0.00 C ATOM 3021 C6 DA C 17 23.766 -0.513 12.532 1.00 0.00 C ATOM 3022 N6 DA C 17 24.705 -0.021 13.340 1.00 0.00 N ATOM 3023 N1 DA C 17 22.906 0.284 11.854 1.00 0.00 N ATOM 3024 C2 DA C 17 22.060 -0.305 11.004 1.00 0.00 C ATOM 3025 N3 DA C 17 21.936 -1.595 10.713 1.00 0.00 N ATOM 3026 C4 DA C 17 22.790 -2.354 11.442 1.00 0.00 C ATOM 3027 H5' DA C 17 21.986 -9.018 10.445 1.00 0.00 H ATOM 3028 H5'' DA C 17 23.154 -8.100 11.430 1.00 0.00 H ATOM 3029 H4' DA C 17 20.875 -7.016 9.761 1.00 0.00 H ATOM 3030 H3' DA C 17 23.716 -7.210 9.138 1.00 0.00 H ATOM 3031 H2' DA C 17 24.283 -5.014 9.749 1.00 0.00 H ATOM 3032 H2'' DA C 17 23.094 -4.451 8.574 1.00 0.00 H ATOM 3033 H1' DA C 17 21.401 -4.134 10.059 1.00 0.00 H ATOM 3034 H8 DA C 17 24.187 -4.999 12.602 1.00 0.00 H ATOM 3035 H61 DA C 17 24.771 0.976 13.491 1.00 0.00 H ATOM 3036 H62 DA C 17 25.352 -0.645 13.801 1.00 0.00 H ATOM 3037 H2 DA C 17 21.379 0.365 10.478 1.00 0.00 H ATOM 3038 P DT C 18 23.198 -6.319 6.554 1.00 0.00 P ATOM 3039 OP1 DT C 18 23.405 -7.713 6.105 1.00 0.00 O ATOM 3040 OP2 DT C 18 24.370 -5.434 6.728 1.00 0.00 O ATOM 3041 O5' DT C 18 22.262 -5.539 5.522 1.00 0.00 O ATOM 3042 C5' DT C 18 21.427 -4.436 5.935 1.00 0.00 C ATOM 3043 C4' DT C 18 22.158 -3.107 5.807 1.00 0.00 C ATOM 3044 O4' DT C 18 22.694 -2.702 7.095 1.00 0.00 O ATOM 3045 C3' DT C 18 23.357 -3.005 4.846 1.00 0.00 C ATOM 3046 O3' DT C 18 22.906 -2.416 3.614 1.00 0.00 O ATOM 3047 C2' DT C 18 24.346 -2.079 5.571 1.00 0.00 C ATOM 3048 C1' DT C 18 23.611 -1.646 6.843 1.00 0.00 C ATOM 3049 N1 DT C 18 24.479 -1.436 8.067 1.00 0.00 N ATOM 3050 C2 DT C 18 24.546 -0.157 8.618 1.00 0.00 C ATOM 3051 O2 DT C 18 23.934 0.808 8.170 1.00 0.00 O ATOM 3052 N3 DT C 18 25.359 -0.012 9.727 1.00 0.00 N ATOM 3053 C4 DT C 18 26.159 -1.002 10.267 1.00 0.00 C ATOM 3054 O4 DT C 18 26.910 -0.748 11.203 1.00 0.00 O ATOM 3055 C5 DT C 18 26.015 -2.305 9.651 1.00 0.00 C ATOM 3056 C7 DT C 18 26.897 -3.425 10.164 1.00 0.00 C ATOM 3057 C6 DT C 18 25.179 -2.468 8.602 1.00 0.00 C ATOM 3058 H5' DT C 18 21.113 -4.571 6.973 1.00 0.00 H ATOM 3059 H5'' DT C 18 20.536 -4.417 5.306 1.00 0.00 H ATOM 3060 H4' DT C 18 21.422 -2.385 5.429 1.00 0.00 H ATOM 3061 H3' DT C 18 23.788 -3.989 4.635 1.00 0.00 H ATOM 3062 H2' DT C 18 25.285 -2.586 5.786 1.00 0.00 H ATOM 3063 H2'' DT C 18 24.585 -1.206 4.973 1.00 0.00 H ATOM 3064 H1' DT C 18 23.023 -0.730 6.667 1.00 0.00 H ATOM 3065 H3 DT C 18 25.335 0.880 10.174 1.00 0.00 H ATOM 3066 H71 DT C 18 27.768 -3.011 10.680 1.00 0.00 H ATOM 3067 H72 DT C 18 27.244 -4.043 9.332 1.00 0.00 H ATOM 3068 H73 DT C 18 26.334 -4.041 10.859 1.00 0.00 H ATOM 3069 H6 DT C 18 25.115 -3.445 8.131 1.00 0.00 H ATOM 3070 P DA C 19 23.942 -2.119 2.411 1.00 0.00 P ATOM 3071 OP1 DA C 19 23.053 -1.927 1.244 1.00 0.00 O ATOM 3072 OP2 DA C 19 24.984 -3.169 2.380 1.00 0.00 O ATOM 3073 O5' DA C 19 24.584 -0.713 2.807 1.00 0.00 O ATOM 3074 C5' DA C 19 23.782 0.478 2.892 1.00 0.00 C ATOM 3075 C4' DA C 19 24.651 1.670 3.242 1.00 0.00 C ATOM 3076 O4' DA C 19 25.048 1.581 4.641 1.00 0.00 O ATOM 3077 C3' DA C 19 25.952 1.814 2.436 1.00 0.00 C ATOM 3078 O3' DA C 19 25.909 3.069 1.734 1.00 0.00 O ATOM 3079 C2' DA C 19 27.057 1.768 3.495 1.00 0.00 C ATOM 3080 C1' DA C 19 26.342 2.138 4.797 1.00 0.00 C ATOM 3081 N9 DA C 19 26.930 1.588 6.042 1.00 0.00 N ATOM 3082 C8 DA C 19 27.123 0.270 6.326 1.00 0.00 C ATOM 3083 N7 DA C 19 27.660 0.033 7.493 1.00 0.00 N ATOM 3084 C5 DA C 19 27.831 1.312 8.020 1.00 0.00 C ATOM 3085 C6 DA C 19 28.360 1.795 9.233 1.00 0.00 C ATOM 3086 N6 DA C 19 28.819 1.000 10.199 1.00 0.00 N ATOM 3087 N1 DA C 19 28.406 3.116 9.442 1.00 0.00 N ATOM 3088 C2 DA C 19 27.949 3.935 8.501 1.00 0.00 C ATOM 3089 N3 DA C 19 27.424 3.616 7.325 1.00 0.00 N ATOM 3090 C4 DA C 19 27.386 2.271 7.144 1.00 0.00 C ATOM 3091 H5' DA C 19 23.017 0.354 3.662 1.00 0.00 H ATOM 3092 H5'' DA C 19 23.290 0.658 1.931 1.00 0.00 H ATOM 3093 H4' DA C 19 24.068 2.573 3.032 1.00 0.00 H ATOM 3094 H3' DA C 19 26.060 1.006 1.702 1.00 0.00 H ATOM 3095 H2' DA C 19 27.507 0.777 3.539 1.00 0.00 H ATOM 3096 H2'' DA C 19 27.853 2.464 3.257 1.00 0.00 H ATOM 3097 H1' DA C 19 26.233 3.228 4.904 1.00 0.00 H ATOM 3098 H8 DA C 19 26.865 -0.522 5.639 1.00 0.00 H ATOM 3099 H61 DA C 19 29.188 1.399 11.051 1.00 0.00 H ATOM 3100 H62 DA C 19 28.796 -0.003 10.080 1.00 0.00 H ATOM 3101 H2 DA C 19 28.014 5.001 8.722 1.00 0.00 H ATOM 3102 P DT C 20 27.148 3.551 0.817 1.00 0.00 P ATOM 3103 OP1 DT C 20 26.592 4.413 -0.248 1.00 0.00 O ATOM 3104 OP2 DT C 20 28.064 2.439 0.476 1.00 0.00 O ATOM 3105 O5' DT C 20 27.937 4.522 1.794 1.00 0.00 O ATOM 3106 C5' DT C 20 27.323 5.703 2.311 1.00 0.00 C ATOM 3107 C4' DT C 20 28.319 6.461 3.158 1.00 0.00 C ATOM 3108 O4' DT C 20 28.480 5.704 4.383 1.00 0.00 O ATOM 3109 C3' DT C 20 29.730 6.614 2.550 1.00 0.00 C ATOM 3110 O3' DT C 20 30.040 7.996 2.259 1.00 0.00 O ATOM 3111 C2' DT C 20 30.671 6.009 3.585 1.00 0.00 C ATOM 3112 C1' DT C 20 29.804 5.853 4.843 1.00 0.00 C ATOM 3113 N1 DT C 20 30.177 4.655 5.668 1.00 0.00 N ATOM 3114 C2 DT C 20 30.771 4.883 6.910 1.00 0.00 C ATOM 3115 O2 DT C 20 30.968 5.996 7.384 1.00 0.00 O ATOM 3116 N3 DT C 20 31.162 3.757 7.618 1.00 0.00 N ATOM 3117 C4 DT C 20 31.053 2.453 7.181 1.00 0.00 C ATOM 3118 O4 DT C 20 31.373 1.524 7.918 1.00 0.00 O ATOM 3119 C5 DT C 20 30.480 2.312 5.860 1.00 0.00 C ATOM 3120 C7 DT C 20 30.536 0.943 5.223 1.00 0.00 C ATOM 3121 C6 DT C 20 30.034 3.392 5.189 1.00 0.00 C ATOM 3122 H5' DT C 20 26.462 5.435 2.927 1.00 0.00 H ATOM 3123 H5'' DT C 20 26.989 6.340 1.487 1.00 0.00 H ATOM 3124 H4' DT C 20 27.922 7.464 3.320 1.00 0.00 H ATOM 3125 H3' DT C 20 29.794 6.062 1.605 1.00 0.00 H ATOM 3126 H2' DT C 20 31.066 5.053 3.235 1.00 0.00 H ATOM 3127 H2'' DT C 20 31.534 6.651 3.762 1.00 0.00 H ATOM 3128 H1' DT C 20 29.845 6.747 5.476 1.00 0.00 H ATOM 3129 H3 DT C 20 31.546 3.887 8.527 1.00 0.00 H ATOM 3130 H71 DT C 20 29.574 0.701 4.778 1.00 0.00 H ATOM 3131 H72 DT C 20 31.304 0.932 4.448 1.00 0.00 H ATOM 3132 H73 DT C 20 30.777 0.185 5.973 1.00 0.00 H ATOM 3133 H6 DT C 20 29.558 3.249 4.220 1.00 0.00 H ATOM 3134 P DG C 21 30.336 9.060 3.436 1.00 0.00 P ATOM 3135 OP1 DG C 21 29.290 8.993 4.475 1.00 0.00 O ATOM 3136 OP2 DG C 21 30.560 10.333 2.717 1.00 0.00 O ATOM 3137 O5' DG C 21 31.735 8.635 4.062 1.00 0.00 O ATOM 3138 C5' DG C 21 32.471 9.537 4.889 1.00 0.00 C ATOM 3139 C4' DG C 21 33.774 8.893 5.308 1.00 0.00 C ATOM 3140 O4' DG C 21 33.455 7.658 5.994 1.00 0.00 O ATOM 3141 C3' DG C 21 34.720 8.451 4.175 1.00 0.00 C ATOM 3142 O3' DG C 21 35.683 9.464 3.747 1.00 0.00 O ATOM 3143 C2' DG C 21 35.418 7.229 4.754 1.00 0.00 C ATOM 3144 C1' DG C 21 34.648 6.901 6.050 1.00 0.00 C ATOM 3145 N9 DG C 21 34.319 5.482 6.227 1.00 0.00 N ATOM 3146 C8 DG C 21 33.713 4.627 5.360 1.00 0.00 C ATOM 3147 N7 DG C 21 33.674 3.385 5.739 1.00 0.00 N ATOM 3148 C5 DG C 21 34.281 3.428 6.989 1.00 0.00 C ATOM 3149 C6 DG C 21 34.593 2.365 7.879 1.00 0.00 C ATOM 3150 O6 DG C 21 34.344 1.172 7.738 1.00 0.00 O ATOM 3151 N1 DG C 21 35.283 2.793 8.999 1.00 0.00 N ATOM 3152 C2 DG C 21 35.628 4.096 9.251 1.00 0.00 C ATOM 3153 N2 DG C 21 36.279 4.354 10.377 1.00 0.00 N ATOM 3154 N3 DG C 21 35.366 5.102 8.410 1.00 0.00 N ATOM 3155 C4 DG C 21 34.684 4.705 7.301 1.00 0.00 C ATOM 3156 H5' DG C 21 31.886 9.776 5.782 1.00 0.00 H ATOM 3157 H5'' DG C 21 32.679 10.462 4.339 1.00 0.00 H ATOM 3158 H4' DG C 21 34.312 9.604 5.940 1.00 0.00 H ATOM 3159 H3' DG C 21 34.130 8.168 3.295 1.00 0.00 H ATOM 3160 H2' DG C 21 35.418 6.398 4.046 1.00 0.00 H ATOM 3161 H2'' DG C 21 36.457 7.454 4.974 1.00 0.00 H ATOM 3162 H1' DG C 21 35.209 7.242 6.933 1.00 0.00 H ATOM 3163 H8 DG C 21 33.304 4.953 4.418 1.00 0.00 H ATOM 3164 H1 DG C 21 35.541 2.077 9.652 1.00 0.00 H ATOM 3165 H21 DG C 21 36.487 3.607 11.023 1.00 0.00 H ATOM 3166 H22 DG C 21 36.567 5.299 10.587 1.00 0.00 H ATOM 3167 P DC C 22 36.803 10.095 4.748 1.00 0.00 P ATOM 3168 OP1 DC C 22 36.097 11.056 5.621 1.00 0.00 O ATOM 3169 OP2 DC C 22 37.900 10.582 3.885 1.00 0.00 O ATOM 3170 O5' DC C 22 37.365 8.926 5.673 1.00 0.00 O ATOM 3171 C5' DC C 22 37.887 9.215 6.982 1.00 0.00 C ATOM 3172 C4' DC C 22 38.894 8.161 7.392 1.00 0.00 C ATOM 3173 O4' DC C 22 38.189 6.923 7.602 1.00 0.00 O ATOM 3174 C3' DC C 22 39.982 7.813 6.371 1.00 0.00 C ATOM 3175 O3' DC C 22 41.127 8.645 6.570 1.00 0.00 O ATOM 3176 C2' DC C 22 40.325 6.362 6.694 1.00 0.00 C ATOM 3177 C1' DC C 22 39.101 5.841 7.482 1.00 0.00 C ATOM 3178 N1 DC C 22 38.383 4.698 6.845 1.00 0.00 N ATOM 3179 C2 DC C 22 38.512 3.442 7.422 1.00 0.00 C ATOM 3180 O2 DC C 22 39.217 3.265 8.412 1.00 0.00 O ATOM 3181 N3 DC C 22 37.839 2.390 6.871 1.00 0.00 N ATOM 3182 C4 DC C 22 37.105 2.566 5.765 1.00 0.00 C ATOM 3183 N4 DC C 22 36.385 1.544 5.323 1.00 0.00 N ATOM 3184 C5 DC C 22 36.989 3.846 5.133 1.00 0.00 C ATOM 3185 C6 DC C 22 37.632 4.873 5.723 1.00 0.00 C ATOM 3186 H5' DC C 22 37.069 9.225 7.704 1.00 0.00 H ATOM 3187 H5'' DC C 22 38.374 10.196 6.983 1.00 0.00 H ATOM 3188 H4' DC C 22 39.407 8.519 8.295 1.00 0.00 H ATOM 3189 H3' DC C 22 39.625 7.935 5.344 1.00 0.00 H ATOM 3190 HO3' DC C 22 41.664 8.586 5.776 1.00 0.00 H ATOM 3191 H2' DC C 22 40.506 5.785 5.783 1.00 0.00 H ATOM 3192 H2'' DC C 22 41.239 6.305 7.290 1.00 0.00 H ATOM 3193 H1' DC C 22 39.388 5.550 8.501 1.00 0.00 H ATOM 3194 H41 DC C 22 36.471 0.637 5.745 1.00 0.00 H ATOM 3195 H42 DC C 22 35.757 1.676 4.543 1.00 0.00 H ATOM 3196 H5 DC C 22 36.409 3.980 4.217 1.00 0.00 H ATOM 3197 H6 DC C 22 37.614 5.845 5.251 1.00 0.00 H TER 3198 DC C 22 MASTER 161 0 0 5 6 0 0 6 3195 3 0 14 END
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Entry Information
PDB ID
2gkd
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
CalC
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=14uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
ACS Chemical Biology. (2006) 1, pp. 451-460
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8KNF0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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