HEADER STRUCTURAL PROTEIN 24-SEP-96 1NEU TITLE STRUCTURE OF MYELIN MEMBRANE ADHESION MOLECULE P0 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYELIN P0 PROTEIN; COMPND 3 CHAIN: NULL; COMPND 4 FRAGMENT: EXTRACELLULAR DOMAIN, RESIDUES 1 - 124; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI KEYWDS MYELIN, STRUCTURAL PROTEIN, GLYCOPROTEIN, TRANSMEMBRANE, KEYWDS PHOSPHORYLATION, IMMUNOGLOBULIN FOLD, SIGNAL, MYELIN KEYWDS 2 MEMBRANE ADHESION MOLECULE EXPDTA X-RAY DIFFRACTION AUTHOR L.SHAPIRO,J.P.DOYLE,P.HENSLEY,D.R.COLMAN,W.A.HENDRICKSON REVDAT 1 15-MAY-97 1NEU 0 JRNL AUTH L.SHAPIRO,J.P.DOYLE,P.HENSLEY,D.R.COLMAN, JRNL AUTH 2 W.A.HENDRICKSON JRNL TITL CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN FROM JRNL TITL 2 P0, THE MAJOR STRUCTURAL PROTEIN OF PERIPHERAL JRNL TITL 3 NERVE MYELIN JRNL REF NEURON V. 17 435 1996 JRNL REFN ASTM NERNET US ISSN 0896-6273 2038 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.9 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.9 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.7 REMARK 3 NUMBER OF REFLECTIONS : 14237 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.215 REMARK 3 FREE R VALUE : 0.268 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5. REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 931 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 165 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.5 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 1.541 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NEU COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 RESIDUES PHE 23, SER 49, AND ILE 83 HAVE BEEN MODELED WITH REMARK 6 TWO SIDE-CHAIN CONFORMATIONS. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD, SIR/AS REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: PHASING WAS OBTAINED FROM A MULTI-WAVELENGTH REMARK 200 ANOMALOUS DIFFRACTION (MAD) EXPERIMENT ON A REMARK 200 PCMBS-DERIVATIZED CRYSTAL; THE MERCURY POSITION WAS POORLY REMARK 200 OCCUPIED (~0.2), AND SO THE DERIVED PHASES WERE COMBINED REMARK 200 WITH PHASES OBTAINED BY SIR/AS ON A MORE COMPLETELY REMARK 200 DERIVATIZED CRYSTAL. REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 1/2+X,1/2+Y,1/2+Z REMARK 290 10555 1/2-X,1/2-Y,1/2+Z REMARK 290 11555 1/2-Y,1/2+X,1/2+Z REMARK 290 12555 1/2+Y,1/2-X,1/2+Z REMARK 290 13555 1/2-X,1/2+Y,1/2-Z REMARK 290 14555 1/2+X,1/2-Y,1/2-Z REMARK 290 15555 1/2+Y,1/2+X,1/2-Z REMARK 290 16555 1/2-Y,1/2-X,1/2-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 44.44839 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 45.80013 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 44.44839 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 45.80013 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 44.44839 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 45.80013 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 44.44839 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 45.80013 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 44.44839 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 45.80013 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 44.44839 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 45.80013 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 44.44839 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 45.80013 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 44.44839 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 44.44839 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 45.80013 REMARK 290 REMARK 290 REMARK: NULL REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU 27 CD OE1 OE2 REMARK 470 GLN 57 CD OE1 NE2 REMARK 470 ASP 61 CG OD1 OD2 REMARK 470 GLU 119 CG CD OE1 OE2 REMARK 999 REMARK 999 SEQUENCE REMARK 999 1NEU SWS P06907 1 - 29 NOT IN ATOMS LIST REMARK 999 1NEU SWS P06907 149 - 248 NOT IN ATOMS LIST REMARK 999 REMARK 999 RESIDUE NUMBERING IS FOR THE MATURE PROTEIN. REMARK 999 CROSS REFERENCE TO PIR DATABASE: ENTRY_NAME: A22822 DBREF 1NEU 1 102 SWS P06907 MYP0_RAT 30 131 DBREF 1NEU 107 119 SWS P06907 MYP0_RAT 136 148 SEQADV 1NEU SWS P06907 PRO 132 GAP IN PDB ENTRY SEQADV 1NEU SWS P06907 PRO 133 GAP IN PDB ENTRY SEQADV 1NEU SWS P06907 ASP 134 GAP IN PDB ENTRY SEQADV 1NEU SWS P06907 ILE 135 GAP IN PDB ENTRY SEQRES 1 124 ILE VAL VAL TYR THR ASP ARG GLU VAL TYR GLY ALA VAL SEQRES 2 124 GLY SER GLN VAL THR LEU HIS CYS SER PHE TRP SER SER SEQRES 3 124 GLU TRP VAL SER ASP ASP ILE SER PHE THR TRP ARG TYR SEQRES 4 124 GLN PRO GLU GLY GLY ARG ASP ALA ILE SER ILE PHE HIS SEQRES 5 124 TYR ALA LYS GLY GLN PRO TYR ILE ASP GLU VAL GLY THR SEQRES 6 124 PHE LYS GLU ARG ILE GLN TRP VAL GLY ASP PRO SER TRP SEQRES 7 124 LYS ASP GLY SER ILE VAL ILE HIS ASN LEU ASP TYR SER SEQRES 8 124 ASP ASN GLY THR PHE THR CYS ASP VAL LYS ASN PRO PRO SEQRES 9 124 ASP ILE VAL GLY LYS THR SER GLN VAL THR LEU TYR VAL SEQRES 10 124 PHE GLU LYS VAL PRO THR ARG FORMUL 2 HOH *164(H2 O1) HELIX 1 1 PRO 76 TRP 78 5 3 HELIX 2 2 TYR 90 ASP 92 5 3 SHEET 1 A 2 VAL 2 TYR 4 0 SHEET 2 A 2 SER 22 TRP 24 -1 N TRP 24 O VAL 2 SHEET 1 B 6 GLU 8 ALA 12 0 SHEET 2 B 6 LYS 109 PHE 118 1 N THR 114 O VAL 9 SHEET 3 B 6 GLY 94 LYS 101 -1 N VAL 100 O LYS 109 SHEET 4 B 6 SER 34 PRO 41 -1 N GLN 40 O THR 95 SHEET 5 B 6 ILE 48 ALA 54 -1 N TYR 53 O PHE 35 SHEET 6 B 6 GLN 57 ILE 60 -1 N TYR 59 O HIS 52 SHEET 1 C 3 VAL 17 LEU 19 0 SHEET 2 C 3 ILE 83 ILE 85 -1 N ILE 85 O VAL 17 SHEET 3 C 3 ILE 70 TRP 72 -1 N GLN 71 O VAL 84 SSBOND 1 CYS 21 CYS 98 CRYST1 88.900 88.900 91.600 90.00 90.00 90.00 I 4 2 2 16 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 0.011249 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011249 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010917 0.00000 ATOM 1 N ILE 1 67.218 29.846 14.254 1.00 31.92 N ATOM 2 CA ILE 1 67.984 30.207 15.478 1.00 31.99 C ATOM 3 C ILE 1 67.129 30.161 16.751 1.00 30.80 C ATOM 4 O ILE 1 67.630 29.777 17.810 1.00 31.93 O ATOM 5 CB ILE 1 68.636 31.591 15.330 1.00 33.42 C ATOM 6 CG1 ILE 1 68.990 32.198 16.686 1.00 34.77 C ATOM 7 CG2 ILE 1 67.703 32.530 14.653 1.00 34.20 C ATOM 8 CD1 ILE 1 68.581 33.692 16.821 1.00 35.44 C ATOM 9 N VAL 2 65.846 30.521 16.665 1.00 28.20 N ATOM 10 CA VAL 2 64.985 30.494 17.851 1.00 25.06 C ATOM 11 C VAL 2 63.521 30.163 17.504 1.00 24.34 C ATOM 12 O VAL 2 63.004 30.602 16.458 1.00 23.42 O ATOM 13 CB VAL 2 65.062 31.855 18.593 1.00 25.01 C ATOM 14 CG1 VAL 2 64.567 33.001 17.682 1.00 23.91 C ATOM 15 CG2 VAL 2 64.271 31.806 19.903 1.00 24.74 C ATOM 16 N VAL 3 62.880 29.367 18.363 1.00 22.53 N ATOM 17 CA VAL 3 61.471 28.983 18.200 1.00 20.77 C ATOM 18 C VAL 3 60.669 29.638 19.333 1.00 20.99 C ATOM 19 O VAL 3 61.065 29.534 20.517 1.00 21.04 O ATOM 20 CB VAL 3 61.299 27.440 18.285 1.00 20.18 C ATOM 21 CG1 VAL 3 59.839 27.036 18.129 1.00 19.13 C ATOM 22 CG2 VAL 3 62.128 26.788 17.238 1.00 19.69 C ATOM 23 N TYR 4 59.541 30.274 18.994 1.00 20.06 N ATOM 24 CA TYR 4 58.676 30.954 19.977 1.00 19.01 C ATOM 25 C TYR 4 57.293 30.319 20.190 1.00 19.58 C ATOM 26 O TYR 4 56.621 29.925 19.219 1.00 19.29 O ATOM 27 CB TYR 4 58.398 32.405 19.541 1.00 17.75 C ATOM 28 CG TYR 4 59.600 33.293 19.396 1.00 16.82 C ATOM 29 CD1 TYR 4 60.325 33.693 20.511 1.00 16.68 C ATOM 30 CD2 TYR 4 60.017 33.727 18.141 1.00 16.04 C ATOM 31 CE1 TYR 4 61.442 34.502 20.388 1.00 16.79 C ATOM 32 CE2 TYR 4 61.132 34.548 17.995 1.00 16.13 C ATOM 33 CZ TYR 4 61.837 34.928 19.126 1.00 16.53 C ATOM 34 OH TYR 4 62.922 35.739 19.011 1.00 16.10 O ATOM 35 N THR 5 56.865 30.269 21.456 1.00 19.40 N ATOM 36 CA THR 5 55.525 29.812 21.853 1.00 19.75 C ATOM 37 C THR 5 55.202 30.678 23.107 1.00 21.01 C ATOM 38 O THR 5 56.094 31.379 23.613 1.00 20.96 O ATOM 39 CB THR 5 55.477 28.310 22.289 1.00 19.77 C ATOM 40 OG1 THR 5 56.436 28.060 23.332 1.00 19.24 O ATOM 41 CG2 THR 5 55.690 27.379 21.111 1.00 19.01 C ATOM 42 N ASP 6 53.953 30.685 23.572 1.00 21.75 N ATOM 43 CA ASP 6 53.581 31.411 24.816 1.00 22.33 C ATOM 44 C ASP 6 53.973 30.471 25.960 1.00 22.83 C ATOM 45 O ASP 6 54.151 29.283 25.712 1.00 22.18 O ATOM 46 CB ASP 6 52.072 31.654 24.885 1.00 22.41 C ATOM 47 CG ASP 6 51.621 32.758 23.956 1.00 22.64 C ATOM 48 OD1 ASP 6 52.347 33.767 23.878 1.00 23.35 O ATOM 49 OD2 ASP 6 50.558 32.634 23.301 1.00 22.90 O ATOM 50 N ARG 7 54.151 30.967 27.190 1.00 23.80 N ATOM 51 CA ARG 7 54.509 30.054 28.301 1.00 24.80 C ATOM 52 C ARG 7 53.298 29.250 28.823 1.00 23.79 C ATOM 53 O ARG 7 53.354 28.025 29.020 1.00 20.70 O ATOM 54 CB ARG 7 55.201 30.819 29.448 1.00 27.90 C ATOM 55 CG ARG 7 55.814 29.904 30.530 1.00 30.70 C ATOM 56 CD ARG 7 56.648 30.676 31.568 1.00 33.45 C ATOM 57 NE ARG 7 55.848 31.691 32.254 1.00 36.63 N ATOM 58 CZ ARG 7 54.963 31.428 33.217 1.00 38.13 C ATOM 59 NH1 ARG 7 54.769 30.164 33.628 1.00 39.19 N ATOM 60 NH2 ARG 7 54.241 32.421 33.742 1.00 38.34 N ATOM 61 N GLU 8 52.190 29.943 29.026 1.00 24.85 N ATOM 62 CA GLU 8 50.969 29.283 29.500 1.00 28.23 C ATOM 63 C GLU 8 49.804 29.932 28.782 1.00 27.74 C ATOM 64 O GLU 8 49.926 31.077 28.313 1.00 27.63 O ATOM 65 CB GLU 8 50.729 29.498 31.005 1.00 31.25 C ATOM 66 CG GLU 8 51.864 29.151 31.952 1.00 34.33 C ATOM 67 CD GLU 8 51.449 29.338 33.421 1.00 36.84 C ATOM 68 OE1 GLU 8 50.879 30.406 33.771 1.00 38.25 O ATOM 69 OE2 GLU 8 51.704 28.419 34.229 1.00 37.47 O ATOM 70 N VAL 9 48.704 29.195 28.650 1.00 26.66 N ATOM 71 CA VAL 9 47.506 29.740 28.022 1.00 26.37 C ATOM 72 C VAL 9 46.333 29.255 28.840 1.00 27.05 C ATOM 73 O VAL 9 46.329 28.109 29.333 1.00 26.17 O ATOM 74 CB VAL 9 47.315 29.311 26.517 1.00 25.76 C ATOM 75 CG1 VAL 9 48.398 29.892 25.672 1.00 24.62 C ATOM 76 CG2 VAL 9 47.269 27.798 26.371 1.00 24.92 C ATOM 77 N TYR 10 45.363 30.140 29.034 1.00 27.51 N ATOM 78 CA TYR 10 44.171 29.789 29.795 1.00 29.08 C ATOM 79 C TYR 10 42.978 29.753 28.860 1.00 28.25 C ATOM 80 O TYR 10 42.841 30.624 27.996 1.00 27.71 O ATOM 81 CB TYR 10 43.917 30.823 30.898 1.00 31.47 C ATOM 82 CG TYR 10 45.021 30.915 31.924 1.00 34.82 C ATOM 83 CD1 TYR 10 45.780 29.794 32.255 1.00 35.90 C ATOM 84 CD2 TYR 10 45.311 32.115 32.565 1.00 36.48 C ATOM 85 CE1 TYR 10 46.801 29.857 33.187 1.00 37.45 C ATOM 86 CE2 TYR 10 46.336 32.190 33.513 1.00 38.27 C ATOM 87 CZ TYR 10 47.078 31.048 33.808 1.00 38.63 C ATOM 88 OH TYR 10 48.125 31.095 34.703 1.00 40.79 O ATOM 89 N GLY 11 42.118 28.758 29.027 1.00 27.18 N ATOM 90 CA GLY 11 40.940 28.679 28.199 1.00 26.48 C ATOM 91 C GLY 11 39.711 28.314 28.994 1.00 26.94 C ATOM 92 O GLY 11 39.820 27.678 30.046 1.00 26.85 O ATOM 93 N ALA 12 38.541 28.711 28.491 1.00 27.02 N ATOM 94 CA ALA 12 37.266 28.410 29.132 1.00 27.26 C ATOM 95 C ALA 12 36.671 27.170 28.489 1.00 27.13 C ATOM 96 O ALA 12 36.885 26.917 27.292 1.00 28.62 O ATOM 97 CB ALA 12 36.323 29.581 28.991 1.00 26.86 C ATOM 98 N VAL 13 35.948 26.382 29.270 1.00 26.42 N ATOM 99 CA VAL 13 35.338 25.166 28.744 1.00 26.73 C ATOM 100 C VAL 13 34.360 25.570 27.617 1.00 27.24 C ATOM 101 O VAL 13 33.758 26.648 27.690 1.00 27.72 O ATOM 102 CB VAL 13 34.642 24.352 29.895 1.00 26.24 C ATOM 103 CG1 VAL 13 33.799 23.235 29.362 1.00 25.10 C ATOM 104 CG2 VAL 13 35.695 23.750 30.792 1.00 26.52 C ATOM 105 N GLY 14 34.261 24.752 26.557 1.00 26.73 N ATOM 106 CA GLY 14 33.368 25.042 25.432 1.00 25.69 C ATOM 107 C GLY 14 33.836 26.174 24.522 1.00 25.35 C ATOM 108 O GLY 14 33.125 26.592 23.604 1.00 25.15 O ATOM 109 N SER 15 35.041 26.674 24.778 1.00 24.19 N ATOM 110 CA SER 15 35.615 27.765 24.011 1.00 23.37 C ATOM 111 C SER 15 36.811 27.263 23.183 1.00 22.51 C ATOM 112 O SER 15 37.008 26.060 23.075 1.00 23.33 O ATOM 113 CB SER 15 36.033 28.830 24.989 1.00 22.74 C ATOM 114 OG SER 15 36.384 29.987 24.303 1.00 24.27 O ATOM 115 N GLN 16 37.579 28.157 22.563 1.00 22.49 N ATOM 116 CA GLN 16 38.748 27.747 21.767 1.00 22.86 C ATOM 117 C GLN 16 39.987 28.521 22.219 1.00 22.27 C ATOM 118 O GLN 16 39.877 29.559 22.880 1.00 22.70 O ATOM 119 CB GLN 16 38.528 28.014 20.266 1.00 24.22 C ATOM 120 CG GLN 16 38.519 29.499 19.945 1.00 26.92 C ATOM 121 CD GLN 16 38.547 29.805 18.459 1.00 29.13 C ATOM 122 OE1 GLN 16 37.502 29.998 17.833 1.00 30.66 O ATOM 123 NE2 GLN 16 39.742 29.866 17.886 1.00 30.52 N ATOM 124 N VAL 17 41.165 28.043 21.850 1.00 20.26 N ATOM 125 CA VAL 17 42.384 28.746 22.217 1.00 20.21 C ATOM 126 C VAL 17 43.408 28.595 21.073 1.00 19.86 C ATOM 127 O VAL 17 43.377 27.577 20.367 1.00 20.58 O ATOM 128 CB VAL 17 42.950 28.215 23.609 1.00 19.98 C ATOM 129 CG1 VAL 17 43.466 26.809 23.498 1.00 18.94 C ATOM 130 CG2 VAL 17 44.061 29.108 24.095 1.00 21.50 C ATOM 131 N THR 18 44.184 29.632 20.758 1.00 19.10 N ATOM 132 CA THR 18 45.200 29.430 19.728 1.00 19.23 C ATOM 133 C THR 18 46.608 29.217 20.301 1.00 18.17 C ATOM 134 O THR 18 47.028 29.861 21.270 1.00 17.32 O ATOM 135 CB THR 18 45.140 30.427 18.474 1.00 20.36 C ATOM 136 OG1 THR 18 46.358 31.161 18.325 1.00 22.45 O ATOM 137 CG2 THR 18 43.987 31.326 18.499 1.00 19.58 C ATOM 138 N LEU 19 47.259 28.176 19.793 1.00 17.62 N ATOM 139 CA LEU 19 48.597 27.818 20.208 1.00 17.13 C ATOM 140 C LEU 19 49.575 28.342 19.175 1.00 17.09 C ATOM 141 O LEU 19 49.679 27.779 18.072 1.00 16.92 O ATOM 142 CB LEU 19 48.700 26.299 20.321 1.00 16.99 C ATOM 143 CG LEU 19 47.710 25.564 21.241 1.00 16.57 C ATOM 144 CD1 LEU 19 47.973 24.067 21.172 1.00 16.85 C ATOM 145 CD2 LEU 19 47.813 26.070 22.681 1.00 17.10 C ATOM 146 N HIS 20 50.257 29.437 19.505 1.00 17.87 N ATOM 147 CA HIS 20 51.252 30.061 18.607 1.00 19.06 C ATOM 148 C HIS 20 52.585 29.348 18.501 1.00 18.48 C ATOM 149 O HIS 20 53.116 28.870 19.506 1.00 18.95 O ATOM 150 CB HIS 20 51.580 31.516 19.033 1.00 21.60 C ATOM 151 CG HIS 20 52.725 32.149 18.263 1.00 24.48 C ATOM 152 ND1 HIS 20 52.539 32.853 17.078 1.00 25.00 N ATOM 153 CD2 HIS 20 54.059 32.194 18.519 1.00 23.65 C ATOM 154 CE1 HIS 20 53.705 33.302 16.648 1.00 24.52 C ATOM 155 NE2 HIS 20 54.642 32.919 17.502 1.00 24.70 N ATOM 156 N CYS 21 53.130 29.317 17.284 1.00 15.70 N ATOM 157 CA CYS 21 54.447 28.778 17.045 1.00 15.28 C ATOM 158 C CYS 21 55.021 29.501 15.824 1.00 15.51 C ATOM 159 O CYS 21 54.350 29.674 14.820 1.00 14.05 O ATOM 160 CB CYS 21 54.446 27.281 16.794 1.00 14.37 C ATOM 161 SG CYS 21 56.131 26.686 16.541 1.00 16.54 S ATOM 162 N SER 22 56.240 29.990 15.947 1.00 15.79 N ATOM 163 CA SER 22 56.897 30.676 14.856 1.00 15.88 C ATOM 164 C SER 22 58.395 30.555 15.087 1.00 17.07 C ATOM 165 O SER 22 58.847 30.119 16.151 1.00 15.57 O ATOM 166 CB SER 22 56.436 32.132 14.769 1.00 15.62 C ATOM 167 OG SER 22 56.815 32.855 15.917 1.00 15.21 O ATOM 168 N PHE 23 59.167 30.802 14.041 1.00 17.88 N ATOM 169 CA PHE 23 60.610 30.720 14.158 1.00 18.12 C ATOM 170 C PHE 23 61.262 31.901 13.435 1.00 18.54 C ATOM 171 O PHE 23 60.651 32.524 12.544 1.00 18.19 O ATOM 172 CB APHE 23 60.993 29.376 13.502 0.57 19.43 C ATOM 173 CB BPHE 23 61.164 29.369 13.717 0.36 17.57 2 C ATOM 174 CG APHE 23 62.358 29.330 12.883 0.57 20.63 C ATOM 175 CG BPHE 23 61.183 29.162 12.248 0.36 16.86 2 C ATOM 176 CD1APHE 23 62.593 29.891 11.636 0.57 20.67 C ATOM 177 CD1BPHE 23 60.066 28.672 11.595 0.36 17.06 2 C ATOM 178 CD2BPHE 23 62.348 29.390 11.518 0.36 16.97 2 C ATOM 179 CD2APHE 23 63.398 28.672 13.525 0.57 21.43 C ATOM 180 CE1APHE 23 63.834 29.800 11.040 0.57 21.51 C ATOM 181 CE1BPHE 23 60.106 28.400 10.225 0.36 17.25 2 C ATOM 182 CE2BPHE 23 62.398 29.125 10.153 0.36 16.97 2 C ATOM 183 CE2APHE 23 64.647 28.576 12.926 0.57 22.30 C ATOM 184 CZ APHE 23 64.867 29.139 11.685 0.57 21.94 C ATOM 185 CZ BPHE 23 61.278 28.628 9.507 0.36 17.18 2 C ATOM 186 N TRP 24 62.445 32.290 13.893 1.00 18.14 N ATOM 187 CA TRP 24 63.143 33.391 13.250 1.00 18.67 C ATOM 188 C TRP 24 64.619 33.066 13.144 1.00 19.01 C ATOM 189 O TRP 24 65.137 32.265 13.933 1.00 19.18 O ATOM 190 CB TRP 24 62.909 34.718 14.010 1.00 17.61 C ATOM 191 CG TRP 24 63.635 35.918 13.413 1.00 17.29 C ATOM 192 CD1 TRP 24 63.200 36.749 12.387 1.00 16.93 C ATOM 193 CD2 TRP 24 64.929 36.395 13.786 1.00 16.50 C ATOM 194 NE1 TRP 24 64.164 37.700 12.105 1.00 16.98 N ATOM 195 CE2 TRP 24 65.228 37.511 12.949 1.00 17.00 C ATOM 196 CE3 TRP 24 65.872 35.983 14.741 1.00 16.64 C ATOM 197 CZ2 TRP 24 66.431 38.216 13.043 1.00 17.25 C ATOM 198 CZ3 TRP 24 67.080 36.683 14.836 1.00 16.78 C ATOM 199 CH2 TRP 24 67.346 37.791 13.990 1.00 17.82 C ATOM 200 N SER 25 65.249 33.610 12.104 1.00 19.08 N ATOM 201 CA SER 25 66.672 33.465 11.845 1.00 20.29 C ATOM 202 C SER 25 67.212 34.771 11.270 1.00 20.40 C ATOM 203 O SER 25 66.511 35.433 10.500 1.00 20.65 O ATOM 204 CB SER 25 66.903 32.369 10.824 1.00 21.83 C ATOM 205 OG SER 25 68.292 32.234 10.562 1.00 24.62 O ATOM 206 N SER 26 68.438 35.156 11.622 1.00 20.07 N ATOM 207 CA SER 26 68.997 36.387 11.063 1.00 20.65 C ATOM 208 C SER 26 69.382 36.230 9.568 1.00 21.07 C ATOM 209 O SER 26 69.502 37.228 8.850 1.00 21.86 O ATOM 210 CB SER 26 70.198 36.884 11.878 1.00 20.46 C ATOM 211 OG SER 26 71.201 35.892 11.958 1.00 21.82 O ATOM 212 N GLU 27 69.557 34.995 9.101 1.00 21.63 N ATOM 213 CA GLU 27 69.898 34.724 7.690 1.00 22.47 C ATOM 214 C GLU 27 68.750 34.113 6.895 1.00 21.34 C ATOM 215 O GLU 27 67.796 33.607 7.472 1.00 20.32 O ATOM 216 CB GLU 27 71.143 33.837 7.603 1.00 23.61 C ATOM 217 CG GLU 27 72.476 34.634 7.705 1.00 24.76 C ATOM 218 N TRP 28 68.831 34.168 5.570 1.00 21.64 N ATOM 219 CA TRP 28 67.762 33.636 4.712 1.00 21.48 C ATOM 220 C TRP 28 67.578 32.143 4.946 1.00 20.87 C ATOM 221 O TRP 28 68.559 31.422 5.072 1.00 20.77 O ATOM 222 CB TRP 28 68.066 33.889 3.215 1.00 21.60 C ATOM 223 CG TRP 28 66.970 33.388 2.272 1.00 21.07 C ATOM 224 CD1 TRP 28 65.835 34.057 1.905 1.00 21.38 C ATOM 225 CD2 TRP 28 66.898 32.099 1.635 1.00 21.05 C ATOM 226 NE1 TRP 28 65.061 33.264 1.087 1.00 21.74 N ATOM 227 CE2 TRP 28 65.689 32.058 0.908 1.00 21.50 C ATOM 228 CE3 TRP 28 67.736 30.979 1.615 1.00 21.08 C ATOM 229 CZ2 TRP 28 65.293 30.934 0.168 1.00 21.21 C ATOM 230 CZ3 TRP 28 67.339 29.863 0.878 1.00 21.72 C ATOM 231 CH2 TRP 28 66.129 29.854 0.168 1.00 21.01 C ATOM 232 N VAL 29 66.330 31.690 4.970 1.00 20.42 N ATOM 233 CA VAL 29 66.012 30.277 5.168 1.00 22.25 C ATOM 234 C VAL 29 64.828 29.972 4.234 1.00 21.93 C ATOM 235 O VAL 29 63.851 30.736 4.190 1.00 21.74 O ATOM 236 CB VAL 29 65.656 29.959 6.707 1.00 23.08 C ATOM 237 CG1 VAL 29 65.210 28.523 6.876 1.00 22.87 C ATOM 238 CG2 VAL 29 66.895 30.177 7.607 1.00 22.67 C ATOM 239 N SER 30 64.931 28.881 3.474 1.00 22.48 N ATOM 240 CA SER 30 63.878 28.502 2.512 1.00 22.41 C ATOM 241 C SER 30 62.575 28.070 3.170 1.00 22.24 C ATOM 242 O SER 30 62.538 27.836 4.379 1.00 23.22 O ATOM 243 CB SER 30 64.382 27.388 1.587 1.00 22.36 C ATOM 244 OG SER 30 64.433 26.144 2.251 1.00 22.90 O ATOM 245 N ASP 31 61.511 27.956 2.388 1.00 20.80 N ATOM 246 CA ASP 31 60.228 27.534 2.921 1.00 21.52 C ATOM 247 C ASP 31 60.078 25.991 2.983 1.00 21.82 C ATOM 248 O ASP 31 58.973 25.463 3.131 1.00 22.28 O ATOM 249 CB ASP 31 59.072 28.162 2.138 1.00 20.66 C ATOM 250 CG ASP 31 58.949 27.593 0.696 1.00 21.49 C ATOM 251 OD1 ASP 31 59.833 26.822 0.220 1.00 19.18 O ATOM 252 OD2 ASP 31 57.958 27.936 0.033 1.00 21.35 O ATOM 253 N ASP 32 61.183 25.268 2.847 1.00 22.70 N ATOM 254 CA ASP 32 61.145 23.813 2.937 1.00 23.80 C ATOM 255 C ASP 32 61.343 23.520 4.445 1.00 24.02 C ATOM 256 O ASP 32 62.421 23.133 4.873 1.00 24.62 O ATOM 257 CB ASP 32 62.286 23.214 2.092 1.00 24.95 C ATOM 258 CG ASP 32 62.199 21.697 1.960 1.00 26.60 C ATOM 259 OD1 ASP 32 61.276 21.078 2.525 1.00 28.01 O ATOM 260 OD2 ASP 32 63.065 21.097 1.294 1.00 26.98 O ATOM 261 N ILE 33 60.320 23.772 5.247 1.00 24.13 N ATOM 262 CA ILE 33 60.401 23.582 6.700 1.00 24.64 C ATOM 263 C ILE 33 59.221 22.750 7.156 1.00 24.54 C ATOM 264 O ILE 33 58.181 22.761 6.496 1.00 25.77 O ATOM 265 CB ILE 33 60.245 24.930 7.450 1.00 25.27 C ATOM 266 CG1 ILE 33 58.849 25.478 7.198 1.00 25.50 C ATOM 267 CG2 ILE 33 61.339 25.933 7.050 1.00 25.61 C ATOM 268 CD1 ILE 33 58.738 26.951 7.384 1.00 26.77 C ATOM 269 N SER 34 59.364 22.040 8.275 1.00 22.94 N ATOM 270 CA SER 34 58.254 21.252 8.811 1.00 21.24 C ATOM 271 C SER 34 57.918 21.672 10.256 1.00 19.90 C ATOM 272 O SER 34 58.796 22.119 11.009 1.00 18.61 O ATOM 273 CB SER 34 58.536 19.724 8.733 1.00 21.58 C ATOM 274 OG SER 34 59.596 19.275 9.586 1.00 21.00 O ATOM 275 N PHE 35 56.644 21.527 10.616 1.00 19.39 N ATOM 276 CA PHE 35 56.136 21.819 11.963 1.00 17.90 C ATOM 277 C PHE 35 55.463 20.556 12.488 1.00 17.83 C ATOM 278 O PHE 35 54.747 19.887 11.750 1.00 18.03 O ATOM 279 CB PHE 35 55.081 22.932 11.943 1.00 17.58 C ATOM 280 CG PHE 35 55.616 24.294 11.541 1.00 19.12 C ATOM 281 CD1 PHE 35 56.263 25.115 12.472 1.00 18.85 C ATOM 282 CD2 PHE 35 55.432 24.776 10.234 1.00 19.37 C ATOM 283 CE1 PHE 35 56.714 26.387 12.117 1.00 19.56 C ATOM 284 CE2 PHE 35 55.883 26.056 9.866 1.00 19.76 C ATOM 285 CZ PHE 35 56.524 26.864 10.810 1.00 19.90 C ATOM 286 N THR 36 55.782 20.161 13.720 1.00 17.34 N ATOM 287 CA THR 36 55.129 19.026 14.336 1.00 16.78 C ATOM 288 C THR 36 54.646 19.436 15.733 1.00 16.97 C ATOM 289 O THR 36 55.416 20.011 16.501 1.00 18.19 O ATOM 290 CB THR 36 56.077 17.821 14.485 1.00 18.21 C ATOM 291 OG1 THR 36 56.631 17.463 13.204 1.00 18.55 O ATOM 292 CG2 THR 36 55.316 16.608 15.091 1.00 18.15 C ATOM 293 N TRP 37 53.377 19.200 16.048 1.00 16.13 N ATOM 294 CA TRP 37 52.834 19.485 17.393 1.00 15.77 C ATOM 295 C TRP 37 52.589 18.176 18.209 1.00 15.96 C ATOM 296 O TRP 37 51.887 17.267 17.735 1.00 14.57 O ATOM 297 CB TRP 37 51.515 20.283 17.318 1.00 14.52 C ATOM 298 CG TRP 37 51.681 21.764 17.156 1.00 15.07 C ATOM 299 CD1 TRP 37 51.474 22.498 16.011 1.00 15.55 C ATOM 300 CD2 TRP 37 51.952 22.717 18.199 1.00 15.79 C ATOM 301 NE1 TRP 37 51.578 23.846 16.285 1.00 15.91 N ATOM 302 CE2 TRP 37 51.861 24.012 17.618 1.00 15.70 C ATOM 303 CE3 TRP 37 52.244 22.607 19.585 1.00 15.33 C ATOM 304 CZ2 TRP 37 52.045 25.184 18.371 1.00 15.34 C ATOM 305 CZ3 TRP 37 52.426 23.778 20.332 1.00 13.86 C ATOM 306 CH2 TRP 37 52.325 25.046 19.724 1.00 14.40 C ATOM 307 N ARG 38 53.160 18.090 19.420 1.00 16.06 N ATOM 308 CA ARG 38 52.964 16.931 20.299 1.00 16.15 C ATOM 309 C ARG 38 52.273 17.365 21.619 1.00 17.02 C ATOM 310 O ARG 38 52.422 18.511 22.072 1.00 17.80 O ATOM 311 CB ARG 38 54.296 16.233 20.584 1.00 16.96 C ATOM 312 CG ARG 38 54.816 15.384 19.444 1.00 16.79 C ATOM 313 CD ARG 38 56.186 14.810 19.756 1.00 17.59 C ATOM 314 NE ARG 38 56.753 14.130 18.589 1.00 20.12 N ATOM 315 CZ ARG 38 57.569 14.707 17.693 1.00 20.92 C ATOM 316 NH1 ARG 38 57.943 15.998 17.818 1.00 20.11 N ATOM 317 NH2 ARG 38 58.004 13.993 16.654 1.00 22.14 N ATOM 318 N TYR 39 51.479 16.469 22.200 1.00 17.31 N ATOM 319 CA TYR 39 50.722 16.733 23.425 1.00 17.11 C ATOM 320 C TYR 39 51.029 15.720 24.554 1.00 18.15 C ATOM 321 O TYR 39 51.065 14.510 24.315 1.00 16.05 O ATOM 322 CB TYR 39 49.219 16.691 23.107 1.00 15.98 C ATOM 323 CG TYR 39 48.294 16.713 24.322 1.00 16.55 C ATOM 324 CD1 TYR 39 48.141 17.874 25.082 1.00 16.78 C ATOM 325 CD2 TYR 39 47.554 15.579 24.702 1.00 16.38 C ATOM 326 CE1 TYR 39 47.265 17.919 26.195 1.00 16.65 C ATOM 327 CE2 TYR 39 46.685 15.609 25.817 1.00 16.17 C ATOM 328 CZ TYR 39 46.554 16.789 26.547 1.00 17.00 C ATOM 329 OH TYR 39 45.716 16.872 27.638 1.00 18.39 O ATOM 330 N GLN 40 51.238 16.245 25.770 1.00 19.57 N ATOM 331 CA GLN 40 51.489 15.449 26.980 1.00 19.95 C ATOM 332 C GLN 40 50.454 15.878 28.040 1.00 19.47 C ATOM 333 O GLN 40 50.465 17.024 28.498 1.00 19.87 O ATOM 334 CB GLN 40 52.904 15.706 27.503 1.00 20.72 C ATOM 335 CG GLN 40 53.223 14.882 28.752 1.00 22.77 C ATOM 336 CD GLN 40 54.627 15.133 29.282 1.00 24.45 C ATOM 337 OE1 GLN 40 55.612 14.548 28.789 1.00 26.19 O ATOM 338 NE2 GLN 40 54.736 15.991 30.288 1.00 24.32 N ATOM 339 N PRO 41 49.505 14.998 28.397 1.00 19.57 N ATOM 340 CA PRO 41 48.514 15.396 29.405 1.00 20.78 C ATOM 341 C PRO 41 49.120 15.690 30.782 1.00 22.29 C ATOM 342 O PRO 41 50.206 15.193 31.134 1.00 21.68 O ATOM 343 CB PRO 41 47.556 14.210 29.451 1.00 19.95 C ATOM 344 CG PRO 41 48.393 13.074 29.033 1.00 20.63 C ATOM 345 CD PRO 41 49.261 13.627 27.933 1.00 20.01 C ATOM 346 N GLU 42 48.437 16.537 31.535 1.00 24.34 N ATOM 347 CA GLU 42 48.893 16.925 32.863 1.00 26.95 C ATOM 348 C GLU 42 49.161 15.676 33.700 1.00 27.33 C ATOM 349 O GLU 42 48.329 14.764 33.776 1.00 27.01 O ATOM 350 CB GLU 42 47.828 17.789 33.517 1.00 28.80 C ATOM 351 CG GLU 42 48.236 18.505 34.756 1.00 31.66 C ATOM 352 CD GLU 42 47.062 19.268 35.313 1.00 33.98 C ATOM 353 OE1 GLU 42 46.069 18.601 35.695 1.00 35.02 O ATOM 354 OE2 GLU 42 47.097 20.523 35.311 1.00 35.62 O ATOM 355 N GLY 43 50.374 15.590 34.225 1.00 28.56 N ATOM 356 CA GLY 43 50.746 14.448 35.038 1.00 29.81 C ATOM 357 C GLY 43 51.196 13.214 34.278 1.00 30.22 C ATOM 358 O GLY 43 51.407 12.167 34.896 1.00 31.29 O ATOM 359 N GLY 44 51.350 13.320 32.958 1.00 29.88 N ATOM 360 CA GLY 44 51.799 12.179 32.171 1.00 28.30 C ATOM 361 C GLY 44 53.203 12.439 31.663 1.00 27.76 C ATOM 362 O GLY 44 53.753 13.516 31.902 1.00 27.71 O ATOM 363 N ARG 45 53.816 11.451 31.017 1.00 27.38 N ATOM 364 CA ARG 45 55.148 11.649 30.452 1.00 28.16 C ATOM 365 C ARG 45 55.282 11.283 28.956 1.00 27.52 C ATOM 366 O ARG 45 56.381 11.380 28.394 1.00 28.90 O ATOM 367 CB ARG 45 56.229 10.965 31.291 1.00 28.71 C ATOM 368 CG ARG 45 56.591 11.756 32.541 1.00 29.91 C ATOM 369 CD ARG 45 57.837 11.205 33.206 1.00 31.13 C ATOM 370 NE ARG 45 57.552 9.951 33.890 1.00 33.28 N ATOM 371 CZ ARG 45 57.112 9.879 35.147 1.00 34.57 C ATOM 372 NH1 ARG 45 56.922 11.004 35.848 1.00 35.02 N ATOM 373 NH2 ARG 45 56.827 8.694 35.695 1.00 35.38 N ATOM 374 N ASP 46 54.178 10.873 28.329 1.00 25.85 N ATOM 375 CA ASP 46 54.147 10.515 26.902 1.00 25.44 C ATOM 376 C ASP 46 53.784 11.692 26.006 1.00 24.49 C ATOM 377 O ASP 46 52.746 12.300 26.223 1.00 25.15 O ATOM 378 CB ASP 46 53.080 9.471 26.661 1.00 26.14 C ATOM 379 CG ASP 46 53.478 8.124 27.136 1.00 27.63 C ATOM 380 OD1 ASP 46 54.626 7.946 27.610 1.00 26.55 O ATOM 381 OD2 ASP 46 52.629 7.216 27.019 1.00 30.26 O ATOM 382 N ALA 47 54.565 11.959 24.959 1.00 23.55 N ATOM 383 CA ALA 47 54.261 13.078 24.033 1.00 21.65 C ATOM 384 C ALA 47 53.692 12.546 22.707 1.00 21.50 C ATOM 385 O ALA 47 54.444 12.006 21.875 1.00 21.82 O ATOM 386 CB ALA 47 55.509 13.893 23.783 1.00 21.44 C ATOM 387 N ILE 48 52.382 12.698 22.497 1.00 19.65 N ATOM 388 CA ILE 48 51.710 12.185 21.295 1.00 18.17 C ATOM 389 C ILE 48 51.577 13.256 20.199 1.00 17.32 C ATOM 390 O ILE 48 51.173 14.370 20.503 1.00 16.02 O ATOM 391 CB ILE 48 50.312 11.607 21.667 1.00 17.82 C ATOM 392 CG1 ILE 48 50.483 10.574 22.783 1.00 19.28 C ATOM 393 CG2 ILE 48 49.649 10.924 20.496 1.00 17.80 C ATOM 394 CD1 ILE 48 51.541 9.478 22.474 1.00 20.36 C ATOM 395 N SER 49 51.928 12.913 18.949 1.00 16.76 N ATOM 396 CA SER 49 51.843 13.866 17.828 1.00 16.87 C ATOM 397 C SER 49 50.383 14.067 17.427 1.00 16.48 C ATOM 398 O SER 49 49.623 13.105 17.347 1.00 17.27 O ATOM 399 CB ASER 49 52.654 13.331 16.624 0.69 17.99 C ATOM 400 CB BSER 49 52.738 13.439 16.644 0.45 17.41 2 C ATOM 401 OG ASER 49 52.501 14.124 15.449 0.69 17.86 O ATOM 402 OG BSER 49 52.118 12.515 15.769 0.45 17.03 2 O ATOM 403 N ILE 50 49.959 15.326 17.311 1.00 16.63 N ATOM 404 CA ILE 50 48.572 15.639 16.937 1.00 16.20 C ATOM 405 C ILE 50 48.453 16.374 15.582 1.00 17.09 C ATOM 406 O ILE 50 47.362 16.395 14.967 1.00 16.20 O ATOM 407 CB ILE 50 47.855 16.463 18.027 1.00 16.05 C ATOM 408 CG1 ILE 50 48.370 17.910 18.045 1.00 15.76 C ATOM 409 CG2 ILE 50 48.035 15.752 19.421 1.00 16.90 C ATOM 410 CD1 ILE 50 47.663 18.828 19.053 1.00 16.14 C ATOM 411 N PHE 51 49.569 16.930 15.101 1.00 17.30 N ATOM 412 CA PHE 51 49.580 17.662 13.830 1.00 18.17 C ATOM 413 C PHE 51 50.967 17.714 13.191 1.00 18.62 C ATOM 414 O PHE 51 51.959 17.866 13.897 1.00 18.07 O ATOM 415 CB PHE 51 49.070 19.096 14.053 1.00 18.76 C ATOM 416 CG PHE 51 49.061 19.944 12.789 1.00 19.40 C ATOM 417 CD1 PHE 51 47.965 19.916 11.921 1.00 18.74 C ATOM 418 CD2 PHE 51 50.178 20.714 12.441 1.00 19.18 C ATOM 419 CE1 PHE 51 47.992 20.633 10.727 1.00 18.90 C ATOM 420 CE2 PHE 51 50.204 21.431 11.243 1.00 19.65 C ATOM 421 CZ PHE 51 49.103 21.382 10.385 1.00 18.74 C ATOM 422 N HIS 52 51.020 17.656 11.856 1.00 18.82 N ATOM 423 CA HIS 52 52.281 17.721 11.106 1.00 19.81 C ATOM 424 C HIS 52 52.106 18.492 9.788 1.00 20.67 C ATOM 425 O HIS 52 51.072 18.380 9.126 1.00 19.23 O ATOM 426 CB HIS 52 52.806 16.319 10.774 1.00 20.49 C ATOM 427 CG HIS 52 54.209 16.308 10.241 1.00 21.06 C ATOM 428 ND1 HIS 52 54.509 15.968 8.943 1.00 21.94 N ATOM 429 CD2 HIS 52 55.392 16.572 10.844 1.00 20.53 C ATOM 430 CE1 HIS 52 55.820 16.019 8.763 1.00 21.08 C ATOM 431 NE2 HIS 52 56.378 16.384 9.904 1.00 21.96 N ATOM 432 N TYR 53 53.121 19.281 9.438 1.00 21.58 N ATOM 433 CA TYR 53 53.134 20.056 8.198 1.00 22.54 C ATOM 434 C TYR 53 54.496 19.922 7.459 1.00 22.36 C ATOM 435 O TYR 53 55.563 20.064 8.076 1.00 21.45 O ATOM 436 CB TYR 53 52.836 21.527 8.513 1.00 24.38 C ATOM 437 CG TYR 53 52.659 22.356 7.280 1.00 26.54 C ATOM 438 CD1 TYR 53 53.771 22.820 6.549 1.00 27.32 C ATOM 439 CD2 TYR 53 51.377 22.634 6.799 1.00 27.17 C ATOM 440 CE1 TYR 53 53.595 23.541 5.357 1.00 28.25 C ATOM 441 CE2 TYR 53 51.192 23.354 5.628 1.00 28.27 C ATOM 442 CZ TYR 53 52.298 23.807 4.919 1.00 28.68 C ATOM 443 OH TYR 53 52.076 24.591 3.806 1.00 30.65 O ATOM 444 N ALA 54 54.464 19.627 6.156 1.00 21.87 N ATOM 445 CA ALA 54 55.692 19.503 5.356 1.00 21.88 C ATOM 446 C ALA 54 55.424 19.516 3.861 1.00 22.55 C ATOM 447 O ALA 54 54.399 19.016 3.426 1.00 22.77 O ATOM 448 CB ALA 54 56.409 18.245 5.705 1.00 21.91 C ATOM 449 N LYS 55 56.387 20.006 3.086 1.00 23.21 N ATOM 450 CA LYS 55 56.298 20.085 1.616 1.00 25.08 C ATOM 451 C LYS 55 54.979 20.669 1.191 1.00 25.44 C ATOM 452 O LYS 55 54.310 20.120 0.301 1.00 26.01 O ATOM 453 CB LYS 55 56.433 18.710 0.943 1.00 25.85 C ATOM 454 CG LYS 55 57.634 17.877 1.357 1.00 27.73 C ATOM 455 CD LYS 55 58.941 18.657 1.278 1.00 29.19 C ATOM 456 CE LYS 55 60.137 17.799 1.722 1.00 30.10 C ATOM 457 NZ LYS 55 61.420 18.550 1.656 1.00 30.25 N ATOM 458 N GLY 56 54.576 21.732 1.880 1.00 25.78 N ATOM 459 CA GLY 56 53.316 22.394 1.585 1.00 25.77 C ATOM 460 C GLY 56 52.017 21.699 1.990 1.00 26.42 C ATOM 461 O GLY 56 50.948 22.276 1.786 1.00 27.37 O ATOM 462 N GLN 57 52.094 20.514 2.611 1.00 26.79 N ATOM 463 CA GLN 57 50.908 19.745 3.018 1.00 25.42 C ATOM 464 C GLN 57 50.673 19.559 4.534 1.00 25.22 C ATOM 465 O GLN 57 51.587 19.169 5.255 1.00 24.04 O ATOM 466 CB GLN 57 50.990 18.341 2.405 1.00 24.98 C ATOM 467 CG GLN 57 51.151 18.309 0.905 1.00 25.74 C ATOM 468 N PRO 58 49.441 19.832 5.025 1.00 25.17 N ATOM 469 CA PRO 58 49.090 19.666 6.452 1.00 25.27 C ATOM 470 C PRO 58 48.486 18.272 6.708 1.00 25.11 C ATOM 471 O PRO 58 47.773 17.727 5.849 1.00 23.68 O ATOM 472 CB PRO 58 48.052 20.757 6.714 1.00 24.98 C ATOM 473 CG PRO 58 47.621 21.254 5.290 1.00 25.10 C ATOM 474 CD PRO 58 48.345 20.461 4.263 1.00 24.55 C ATOM 475 N TYR 59 48.786 17.708 7.879 1.00 25.05 N ATOM 476 CA TYR 59 48.298 16.395 8.305 1.00 25.25 C ATOM 477 C TYR 59 47.736 16.531 9.729 1.00 25.24 C ATOM 478 O TYR 59 48.459 16.886 10.658 1.00 24.52 O ATOM 479 CB TYR 59 49.447 15.383 8.321 1.00 26.53 C ATOM 480 CG TYR 59 50.197 15.265 7.016 1.00 28.16 C ATOM 481 CD1 TYR 59 49.697 14.474 5.990 1.00 28.99 C ATOM 482 CD2 TYR 59 51.391 15.973 6.792 1.00 28.84 C ATOM 483 CE1 TYR 59 50.351 14.389 4.766 1.00 30.36 C ATOM 484 CE2 TYR 59 52.064 15.898 5.566 1.00 29.58 C ATOM 485 CZ TYR 59 51.530 15.103 4.558 1.00 30.62 C ATOM 486 OH TYR 59 52.124 15.017 3.318 1.00 31.56 O ATOM 487 N ILE 60 46.448 16.270 9.892 1.00 25.47 N ATOM 488 CA ILE 60 45.790 16.351 11.191 1.00 27.11 C ATOM 489 C ILE 60 45.422 14.947 11.632 1.00 28.24 C ATOM 490 O ILE 60 44.933 14.149 10.846 1.00 27.33 O ATOM 491 CB ILE 60 44.480 17.200 11.120 1.00 27.31 C ATOM 492 CG1 ILE 60 44.811 18.671 10.791 1.00 27.76 C ATOM 493 CG2 ILE 60 43.707 17.105 12.417 1.00 26.30 C ATOM 494 CD1 ILE 60 43.650 19.465 10.233 1.00 27.30 C ATOM 495 N ASP 61 45.698 14.647 12.892 1.00 31.09 N ATOM 496 CA ASP 61 45.381 13.341 13.472 1.00 33.08 C ATOM 497 C ASP 61 43.866 13.170 13.634 1.00 33.92 C ATOM 498 O ASP 61 43.152 14.079 14.088 1.00 33.34 O ATOM 499 CB ASP 61 46.074 13.185 14.830 1.00 33.99 C ATOM 500 N GLU 62 43.382 11.999 13.257 1.00 35.88 N ATOM 501 CA GLU 62 41.964 11.692 13.328 1.00 38.02 C ATOM 502 C GLU 62 41.677 10.600 14.351 1.00 37.22 C ATOM 503 O GLU 62 40.529 10.209 14.520 1.00 37.30 O ATOM 504 CB GLU 62 41.457 11.265 11.941 1.00 40.12 C ATOM 505 CG GLU 62 41.569 12.379 10.871 1.00 43.25 C ATOM 506 CD GLU 62 40.997 11.990 9.503 1.00 44.67 C ATOM 507 OE1 GLU 62 39.882 11.409 9.451 1.00 46.01 O ATOM 508 OE2 GLU 62 41.646 12.305 8.472 1.00 45.49 O ATOM 509 N VAL 63 42.683 10.251 15.146 1.00 36.53 N ATOM 510 CA VAL 63 42.549 9.179 16.122 1.00 35.87 C ATOM 511 C VAL 63 42.644 9.470 17.645 1.00 35.25 C ATOM 512 O VAL 63 42.079 8.719 18.465 1.00 35.41 O ATOM 513 CB VAL 63 43.521 8.051 15.703 1.00 36.11 C ATOM 514 CG1 VAL 63 44.587 7.797 16.741 1.00 36.33 C ATOM 515 CG2 VAL 63 42.741 6.819 15.367 1.00 36.59 C ATOM 516 N GLY 64 43.304 10.563 18.016 1.00 32.97 N ATOM 517 CA GLY 64 43.493 10.882 19.419 1.00 30.89 C ATOM 518 C GLY 64 42.575 11.827 20.171 1.00 30.01 C ATOM 519 O GLY 64 41.472 12.139 19.741 1.00 29.65 O ATOM 520 N THR 65 43.091 12.337 21.287 1.00 29.49 N ATOM 521 CA THR 65 42.359 13.231 22.181 1.00 29.53 C ATOM 522 C THR 65 41.772 14.489 21.553 1.00 28.16 C ATOM 523 O THR 65 40.721 14.946 21.999 1.00 28.62 O ATOM 524 CB THR 65 43.229 13.613 23.431 1.00 30.28 C ATOM 525 OG1 THR 65 42.632 14.699 24.156 1.00 31.43 O ATOM 526 CG2 THR 65 44.589 14.035 23.010 1.00 31.35 C ATOM 527 N PHE 66 42.443 15.056 20.546 1.00 26.26 N ATOM 528 CA PHE 66 41.956 16.288 19.914 1.00 24.98 C ATOM 529 C PHE 66 41.437 16.075 18.501 1.00 25.63 C ATOM 530 O PHE 66 41.308 17.012 17.719 1.00 24.71 O ATOM 531 CB PHE 66 43.032 17.394 19.955 1.00 23.51 C ATOM 532 CG PHE 66 43.422 17.819 21.371 1.00 22.07 C ATOM 533 CD1 PHE 66 42.617 18.692 22.105 1.00 21.31 C ATOM 534 CD2 PHE 66 44.563 17.284 21.990 1.00 21.28 C ATOM 535 CE1 PHE 66 42.942 19.013 23.435 1.00 21.01 C ATOM 536 CE2 PHE 66 44.881 17.602 23.302 1.00 20.15 C ATOM 537 CZ PHE 66 44.070 18.463 24.022 1.00 20.20 C ATOM 538 N LYS 67 41.100 14.834 18.186 1.00 26.80 N ATOM 539 CA LYS 67 40.577 14.544 16.872 1.00 28.34 C ATOM 540 C LYS 67 39.285 15.364 16.677 1.00 28.11 C ATOM 541 O LYS 67 38.463 15.476 17.615 1.00 28.26 O ATOM 542 CB LYS 67 40.295 13.053 16.741 1.00 30.13 C ATOM 543 CG LYS 67 39.201 12.535 17.644 1.00 32.36 C ATOM 544 CD LYS 67 39.111 11.022 17.480 1.00 34.41 C ATOM 545 CE LYS 67 37.730 10.590 17.047 1.00 36.03 C ATOM 546 NZ LYS 67 36.730 10.922 18.119 1.00 37.83 N ATOM 547 N GLU 68 39.141 15.964 15.493 1.00 26.06 N ATOM 548 CA GLU 68 37.978 16.777 15.135 1.00 25.35 C ATOM 549 C GLU 68 37.932 18.116 15.862 1.00 22.86 C ATOM 550 O GLU 68 36.923 18.829 15.799 1.00 21.29 O ATOM 551 CB GLU 68 36.677 16.023 15.383 1.00 27.31 C ATOM 552 CG GLU 68 36.479 14.862 14.452 1.00 31.05 C ATOM 553 CD GLU 68 35.207 14.094 14.762 1.00 33.93 C ATOM 554 OE1 GLU 68 34.322 14.633 15.471 1.00 35.03 O ATOM 555 OE2 GLU 68 35.087 12.939 14.302 1.00 36.14 O ATOM 556 N ARG 69 39.042 18.465 16.512 1.00 20.90 N ATOM 557 CA ARG 69 39.149 19.706 17.256 1.00 19.37 C ATOM 558 C ARG 69 40.421 20.490 16.960 1.00 18.30 C ATOM 559 O ARG 69 40.775 21.383 17.727 1.00 17.80 O ATOM 560 CB ARG 69 39.003 19.452 18.767 1.00 20.44 C ATOM 561 CG ARG 69 37.642 18.850 19.164 1.00 20.80 C ATOM 562 CD ARG 69 37.404 18.856 20.677 1.00 20.87 C ATOM 563 NE ARG 69 38.298 17.951 21.399 1.00 20.33 N ATOM 564 CZ ARG 69 38.943 18.254 22.529 1.00 20.50 C ATOM 565 NH1 ARG 69 38.823 19.455 23.075 1.00 20.21 N ATOM 566 NH2 ARG 69 39.634 17.316 23.174 1.00 20.14 N ATOM 567 N ILE 70 41.060 20.209 15.818 1.00 17.28 N ATOM 568 CA ILE 70 42.286 20.924 15.406 1.00 17.40 C ATOM 569 C ILE 70 42.105 21.682 14.072 1.00 17.72 C ATOM 570 O ILE 70 41.529 21.131 13.114 1.00 17.74 O ATOM 571 CB ILE 70 43.488 19.964 15.238 1.00 17.73 C ATOM 572 CG1 ILE 70 43.846 19.340 16.592 1.00 18.94 C ATOM 573 CG2 ILE 70 44.698 20.712 14.713 1.00 16.86 C ATOM 574 CD1 ILE 70 44.586 18.053 16.468 1.00 19.67 C ATOM 575 N GLN 71 42.564 22.935 14.026 1.00 16.81 N ATOM 576 CA GLN 71 42.494 23.745 12.818 1.00 17.48 C ATOM 577 C GLN 71 43.874 24.319 12.512 1.00 17.80 C ATOM 578 O GLN 71 44.502 24.890 13.399 1.00 18.10 O ATOM 579 CB GLN 71 41.502 24.900 12.981 1.00 17.85 C ATOM 580 CG GLN 71 41.511 25.878 11.795 1.00 18.65 C ATOM 581 CD GLN 71 40.557 27.031 11.977 1.00 20.17 C ATOM 582 OE1 GLN 71 40.068 27.281 13.077 1.00 20.84 O ATOM 583 NE2 GLN 71 40.270 27.737 10.898 1.00 21.23 N ATOM 584 N TRP 72 44.348 24.159 11.275 1.00 17.41 N ATOM 585 CA TRP 72 45.658 24.686 10.869 1.00 17.29 C ATOM 586 C TRP 72 45.499 26.148 10.506 1.00 16.76 C ATOM 587 O TRP 72 44.651 26.481 9.675 1.00 17.06 O ATOM 588 CB TRP 72 46.220 23.885 9.671 1.00 18.03 C ATOM 589 CG TRP 72 47.351 24.588 8.866 1.00 19.40 C ATOM 590 CD1 TRP 72 47.276 25.003 7.554 1.00 20.33 C ATOM 591 CD2 TRP 72 48.705 24.873 9.285 1.00 19.19 C ATOM 592 NE1 TRP 72 48.486 25.500 7.137 1.00 20.16 N ATOM 593 CE2 TRP 72 49.383 25.436 8.167 1.00 19.60 C ATOM 594 CE3 TRP 72 49.415 24.701 10.484 1.00 18.91 C ATOM 595 CZ2 TRP 72 50.729 25.820 8.207 1.00 19.02 C ATOM 596 CZ3 TRP 72 50.769 25.085 10.521 1.00 19.04 C ATOM 597 CH2 TRP 72 51.408 25.637 9.382 1.00 19.00 C ATOM 598 N VAL 73 46.253 27.029 11.156 1.00 16.59 N ATOM 599 CA VAL 73 46.145 28.460 10.841 1.00 17.82 C ATOM 600 C VAL 73 47.494 29.130 10.555 1.00 18.57 C ATOM 601 O VAL 73 47.599 30.356 10.521 1.00 18.86 O ATOM 602 CB VAL 73 45.343 29.293 11.928 1.00 17.69 C ATOM 603 CG1 VAL 73 43.879 28.853 11.995 1.00 17.39 C ATOM 604 CG2 VAL 73 46.008 29.203 13.317 1.00 17.98 C ATOM 605 N GLY 74 48.513 28.331 10.278 1.00 18.58 N ATOM 606 CA GLY 74 49.816 28.907 10.018 1.00 20.26 C ATOM 607 C GLY 74 50.088 29.241 8.560 1.00 21.50 C ATOM 608 O GLY 74 49.224 29.051 7.696 1.00 20.76 O ATOM 609 N ASP 75 51.295 29.746 8.312 1.00 23.59 N ATOM 610 CA ASP 75 51.775 30.106 6.976 1.00 26.08 C ATOM 611 C ASP 75 53.264 29.922 6.951 1.00 25.78 C ATOM 612 O ASP 75 53.993 30.733 7.468 1.00 24.87 O ATOM 613 CB ASP 75 51.477 31.573 6.621 1.00 28.22 C ATOM 614 CG ASP 75 51.640 31.879 5.089 1.00 29.74 C ATOM 615 OD1 ASP 75 52.411 31.197 4.356 1.00 29.83 O ATOM 616 OD2 ASP 75 50.963 32.818 4.618 1.00 31.20 O ATOM 617 N PRO 76 53.731 28.879 6.290 1.00 28.08 N ATOM 618 CA PRO 76 55.137 28.496 6.126 1.00 30.38 C ATOM 619 C PRO 76 55.959 29.617 5.511 1.00 32.76 C ATOM 620 O PRO 76 57.150 29.775 5.824 1.00 33.19 O ATOM 621 CB PRO 76 55.062 27.324 5.164 1.00 30.52 C ATOM 622 CG PRO 76 53.680 26.771 5.398 1.00 30.58 C ATOM 623 CD PRO 76 52.839 27.982 5.542 1.00 29.43 C ATOM 624 N SER 77 55.326 30.388 4.627 1.00 34.66 N ATOM 625 CA SER 77 55.987 31.508 3.967 1.00 36.49 C ATOM 626 C SER 77 56.413 32.501 5.030 1.00 36.51 C ATOM 627 O SER 77 57.471 33.123 4.918 1.00 37.20 O ATOM 628 CB SER 77 55.037 32.186 2.979 1.00 36.86 C ATOM 629 OG SER 77 54.577 31.228 2.045 1.00 38.74 O ATOM 630 N TRP 78 55.604 32.615 6.080 1.00 36.36 N ATOM 631 CA TRP 78 55.895 33.529 7.186 1.00 35.65 C ATOM 632 C TRP 78 56.512 32.839 8.416 1.00 31.57 C ATOM 633 O TRP 78 56.527 33.397 9.507 1.00 29.07 O ATOM 634 CB TRP 78 54.623 34.270 7.577 1.00 40.58 C ATOM 635 CG TRP 78 54.065 35.096 6.468 1.00 45.22 C ATOM 636 CD1 TRP 78 53.981 34.759 5.133 1.00 46.48 C ATOM 637 CD2 TRP 78 53.510 36.408 6.588 1.00 47.65 C ATOM 638 NE1 TRP 78 53.404 35.785 4.424 1.00 47.85 N ATOM 639 CE2 TRP 78 53.104 36.812 5.288 1.00 48.54 C ATOM 640 CE3 TRP 78 53.313 37.291 7.670 1.00 49.15 C ATOM 641 CZ2 TRP 78 52.511 38.074 5.040 1.00 49.44 C ATOM 642 CZ3 TRP 78 52.718 38.551 7.420 1.00 49.71 C ATOM 643 CH2 TRP 78 52.327 38.922 6.114 1.00 49.63 C ATOM 644 N LYS 79 56.982 31.613 8.227 1.00 27.85 N ATOM 645 CA LYS 79 57.605 30.846 9.286 1.00 26.18 C ATOM 646 C LYS 79 56.679 30.700 10.497 1.00 24.57 C ATOM 647 O LYS 79 57.139 30.649 11.648 1.00 24.07 O ATOM 648 CB LYS 79 58.934 31.504 9.650 1.00 26.48 C ATOM 649 CG LYS 79 59.903 31.483 8.474 1.00 28.21 C ATOM 650 CD LYS 79 61.131 32.375 8.646 1.00 29.21 C ATOM 651 CE LYS 79 62.069 32.278 7.399 1.00 30.50 C ATOM 652 NZ LYS 79 61.399 32.380 6.018 1.00 30.90 N ATOM 653 N ASP 80 55.379 30.622 10.224 1.00 22.15 N ATOM 654 CA ASP 80 54.371 30.480 11.261 1.00 21.23 C ATOM 655 C ASP 80 53.709 29.098 11.171 1.00 20.43 C ATOM 656 O ASP 80 53.262 28.687 10.079 1.00 19.30 O ATOM 657 CB ASP 80 53.324 31.584 11.123 1.00 22.45 C ATOM 658 CG ASP 80 52.329 31.612 12.289 1.00 23.82 C ATOM 659 OD1 ASP 80 51.544 30.659 12.447 1.00 23.35 O ATOM 660 OD2 ASP 80 52.324 32.592 13.073 1.00 26.00 O ATOM 661 N GLY 81 53.652 28.393 12.312 1.00 18.02 N ATOM 662 CA GLY 81 53.056 27.067 12.371 1.00 15.95 C ATOM 663 C GLY 81 51.970 26.884 13.421 1.00 15.08 C ATOM 664 O GLY 81 51.788 25.778 13.943 1.00 13.95 O ATOM 665 N SER 82 51.193 27.937 13.659 1.00 14.30 N ATOM 666 CA SER 82 50.130 27.929 14.654 1.00 14.51 C ATOM 667 C SER 82 48.873 27.094 14.301 1.00 15.32 C ATOM 668 O SER 82 48.489 26.963 13.119 1.00 14.72 O ATOM 669 CB SER 82 49.708 29.368 14.981 1.00 14.38 C ATOM 670 OG SER 82 50.811 30.191 15.329 1.00 14.72 O ATOM 671 N ILE 83 48.209 26.606 15.357 1.00 14.63 N ATOM 672 CA ILE 83 46.978 25.802 15.287 1.00 14.59 C ATOM 673 C ILE 83 45.999 26.308 16.356 1.00 14.84 C ATOM 674 O ILE 83 46.396 27.012 17.295 1.00 15.70 O ATOM 675 CB AILE 83 47.258 24.266 15.548 0.32 14.79 C ATOM 676 CB BILE 83 47.270 24.279 15.490 0.75 14.22 2 C ATOM 677 CG1AILE 83 47.112 23.485 14.251 0.32 14.29 C ATOM 678 CG1BILE 83 47.770 23.997 16.925 0.75 13.80 2 C ATOM 679 CG2AILE 83 46.332 23.644 16.604 0.32 14.50 C ATOM 680 CG2BILE 83 48.248 23.797 14.420 0.75 13.14 2 C ATOM 681 CD1AILE 83 48.320 23.557 13.434 0.32 14.40 C ATOM 682 CD1BILE 83 47.877 22.532 17.249 0.75 12.33 2 C ATOM 683 N VAL 84 44.731 25.967 16.174 1.00 15.01 N ATOM 684 CA VAL 84 43.687 26.332 17.115 1.00 15.51 C ATOM 685 C VAL 84 43.106 25.027 17.664 1.00 15.71 C ATOM 686 O VAL 84 42.904 24.085 16.901 1.00 15.92 O ATOM 687 CB VAL 84 42.532 27.120 16.414 1.00 16.22 C ATOM 688 CG1 VAL 84 41.375 27.378 17.388 1.00 15.50 C ATOM 689 CG2 VAL 84 43.054 28.434 15.836 1.00 16.76 C ATOM 690 N ILE 85 42.918 24.961 18.990 1.00 16.77 N ATOM 691 CA ILE 85 42.301 23.808 19.687 1.00 16.32 C ATOM 692 C ILE 85 40.862 24.282 19.968 1.00 16.72 C ATOM 693 O ILE 85 40.643 25.330 20.619 1.00 16.46 O ATOM 694 CB ILE 85 43.013 23.446 21.065 1.00 16.55 C ATOM 695 CG1 ILE 85 44.495 23.112 20.847 1.00 15.48 C ATOM 696 CG2 ILE 85 42.312 22.244 21.738 1.00 15.99 C ATOM 697 CD1 ILE 85 44.743 21.988 19.889 1.00 16.32 C ATOM 698 N HIS 86 39.899 23.544 19.419 1.00 16.78 N ATOM 699 CA HIS 86 38.485 23.876 19.515 1.00 17.40 C ATOM 700 C HIS 86 37.695 23.107 20.597 1.00 18.95 C ATOM 701 O HIS 86 38.117 22.040 21.066 1.00 18.65 O ATOM 702 CB HIS 86 37.810 23.634 18.133 1.00 16.76 C ATOM 703 CG HIS 86 38.188 24.631 17.077 1.00 15.80 C ATOM 704 ND1 HIS 86 37.572 25.865 16.964 1.00 15.55 N ATOM 705 CD2 HIS 86 39.120 24.589 16.099 1.00 14.97 C ATOM 706 CE1 HIS 86 38.121 26.539 15.967 1.00 15.87 C ATOM 707 NE2 HIS 86 39.062 25.786 15.424 1.00 14.89 N ATOM 708 N ASN 87 36.569 23.697 21.012 1.00 19.81 N ATOM 709 CA ASN 87 35.655 23.095 21.974 1.00 20.53 C ATOM 710 C ASN 87 36.337 22.515 23.191 1.00 21.42 C ATOM 711 O ASN 87 36.187 21.340 23.467 1.00 21.32 O ATOM 712 CB ASN 87 34.850 22.001 21.295 1.00 20.58 C ATOM 713 CG ASN 87 33.558 21.694 22.015 1.00 20.75 C ATOM 714 OD1 ASN 87 32.793 20.844 21.569 1.00 21.70 O ATOM 715 ND2 ASN 87 33.282 22.403 23.096 1.00 19.55 N ATOM 716 N LEU 88 37.028 23.376 23.929 1.00 23.10 N ATOM 717 CA LEU 88 37.784 23.006 25.122 1.00 25.48 C ATOM 718 C LEU 88 36.996 22.237 26.171 1.00 27.48 C ATOM 719 O LEU 88 35.813 22.495 26.398 1.00 26.33 O ATOM 720 CB LEU 88 38.406 24.247 25.743 1.00 24.81 C ATOM 721 CG LEU 88 39.877 24.612 25.484 1.00 25.45 C ATOM 722 CD1 LEU 88 40.569 23.767 24.390 1.00 24.16 C ATOM 723 CD2 LEU 88 39.995 26.124 25.255 1.00 24.74 C ATOM 724 N ASP 89 37.702 21.318 26.823 1.00 30.49 N ATOM 725 CA ASP 89 37.162 20.442 27.851 1.00 33.26 C ATOM 726 C ASP 89 38.116 20.452 29.059 1.00 33.40 C ATOM 727 O ASP 89 39.324 20.677 28.930 1.00 32.66 O ATOM 728 CB ASP 89 37.045 19.033 27.263 1.00 37.16 C ATOM 729 CG ASP 89 36.266 18.081 28.150 1.00 40.34 C ATOM 730 OD1 ASP 89 35.015 18.095 28.103 1.00 41.61 O ATOM 731 OD2 ASP 89 36.903 17.309 28.904 1.00 42.05 O ATOM 732 N TYR 90 37.563 20.229 30.242 1.00 33.32 N ATOM 733 CA TYR 90 38.345 20.233 31.474 1.00 33.41 C ATOM 734 C TYR 90 39.565 19.340 31.425 1.00 31.64 C ATOM 735 O TYR 90 40.645 19.701 31.904 1.00 32.08 O ATOM 736 CB TYR 90 37.464 19.831 32.679 1.00 35.83 C ATOM 737 CG TYR 90 36.740 20.999 33.327 1.00 37.94 C ATOM 738 CD1 TYR 90 37.460 22.086 33.830 1.00 38.72 C ATOM 739 CD2 TYR 90 35.340 21.038 33.401 1.00 38.49 C ATOM 740 CE1 TYR 90 36.813 23.181 34.381 1.00 39.92 C ATOM 741 CE2 TYR 90 34.681 22.136 33.957 1.00 39.36 C ATOM 742 CZ TYR 90 35.429 23.200 34.445 1.00 40.25 C ATOM 743 OH TYR 90 34.826 24.285 35.036 1.00 41.75 O ATOM 744 N SER 91 39.406 18.190 30.804 1.00 29.65 N ATOM 745 CA SER 91 40.482 17.227 30.739 1.00 28.24 C ATOM 746 C SER 91 41.601 17.553 29.788 1.00 26.92 C ATOM 747 O SER 91 42.593 16.829 29.750 1.00 26.43 O ATOM 748 CB SER 91 39.918 15.854 30.404 1.00 28.60 C ATOM 749 OG SER 91 39.205 15.891 29.184 1.00 29.57 O ATOM 750 N ASP 92 41.466 18.647 29.048 1.00 25.25 N ATOM 751 CA ASP 92 42.479 19.015 28.072 1.00 23.61 C ATOM 752 C ASP 92 43.819 19.496 28.639 1.00 23.54 C ATOM 753 O ASP 92 44.807 19.532 27.904 1.00 23.13 O ATOM 754 CB ASP 92 41.909 20.056 27.084 1.00 23.01 C ATOM 755 CG ASP 92 40.835 19.477 26.158 1.00 22.63 C ATOM 756 OD1 ASP 92 40.771 18.251 25.954 1.00 23.00 O ATOM 757 OD2 ASP 92 40.037 20.247 25.601 1.00 22.66 O ATOM 758 N ASN 93 43.854 19.865 29.935 1.00 23.75 N ATOM 759 CA ASN 93 45.078 20.380 30.609 1.00 22.12 C ATOM 760 C ASN 93 46.288 19.568 30.192 1.00 21.19 C ATOM 761 O ASN 93 46.218 18.327 30.147 1.00 21.64 O ATOM 762 CB ASN 93 44.987 20.272 32.147 1.00 23.49 C ATOM 763 CG ASN 93 44.205 21.398 32.791 1.00 23.99 C ATOM 764 OD1 ASN 93 44.484 21.795 33.928 1.00 24.40 O ATOM 765 ND2 ASN 93 43.221 21.908 32.090 1.00 23.94 N ATOM 766 N GLY 94 47.402 20.252 29.938 1.00 19.76 N ATOM 767 CA GLY 94 48.607 19.560 29.545 1.00 18.21 C ATOM 768 C GLY 94 49.598 20.490 28.902 1.00 17.45 C ATOM 769 O GLY 94 49.376 21.697 28.820 1.00 17.01 O ATOM 770 N THR 95 50.697 19.915 28.444 1.00 17.39 N ATOM 771 CA THR 95 51.746 20.677 27.792 1.00 18.57 C ATOM 772 C THR 95 51.853 20.300 26.297 1.00 17.81 C ATOM 773 O THR 95 51.901 19.111 25.959 1.00 17.40 O ATOM 774 CB THR 95 53.110 20.443 28.498 1.00 19.21 C ATOM 775 OG1 THR 95 52.998 20.855 29.866 1.00 20.38 O ATOM 776 CG2 THR 95 54.237 21.251 27.824 1.00 18.50 C ATOM 777 N PHE 96 51.885 21.318 25.433 1.00 17.76 N ATOM 778 CA PHE 96 52.016 21.151 23.964 1.00 17.72 C ATOM 779 C PHE 96 53.402 21.609 23.540 1.00 17.30 C ATOM 780 O PHE 96 53.887 22.642 23.995 1.00 17.49 O ATOM 781 CB PHE 96 50.992 22.010 23.190 1.00 16.52 C ATOM 782 CG PHE 96 49.572 21.622 23.418 1.00 15.81 C ATOM 783 CD1 PHE 96 48.889 22.055 24.561 1.00 15.70 C ATOM 784 CD2 PHE 96 48.914 20.804 22.501 1.00 15.88 C ATOM 785 CE1 PHE 96 47.558 21.677 24.801 1.00 15.31 C ATOM 786 CE2 PHE 96 47.584 20.414 22.719 1.00 16.11 C ATOM 787 CZ PHE 96 46.901 20.852 23.876 1.00 15.70 C ATOM 788 N THR 97 54.044 20.837 22.680 1.00 18.19 N ATOM 789 CA THR 97 55.367 21.208 22.183 1.00 18.72 C ATOM 790 C THR 97 55.420 21.337 20.636 1.00 18.68 C ATOM 791 O THR 97 54.988 20.434 19.895 1.00 16.61 O ATOM 792 CB THR 97 56.459 20.179 22.632 1.00 20.17 C ATOM 793 OG1 THR 97 56.418 20.026 24.061 1.00 20.97 O ATOM 794 CG2 THR 97 57.858 20.669 22.221 1.00 20.03 C ATOM 795 N CYS 98 55.983 22.457 20.180 1.00 18.10 N ATOM 796 CA CYS 98 56.152 22.717 18.764 1.00 18.53 C ATOM 797 C CYS 98 57.614 22.416 18.425 1.00 17.92 C ATOM 798 O CYS 98 58.526 22.973 19.046 1.00 17.76 O ATOM 799 CB CYS 98 55.817 24.177 18.427 1.00 18.80 C ATOM 800 SG CYS 98 55.897 24.521 16.608 1.00 20.00 S ATOM 801 N ASP 99 57.806 21.563 17.415 1.00 18.34 N ATOM 802 CA ASP 99 59.108 21.091 16.911 1.00 18.45 C ATOM 803 C ASP 99 59.286 21.567 15.457 1.00 18.09 C ATOM 804 O ASP 99 58.536 21.156 14.547 1.00 17.20 O ATOM 805 CB ASP 99 59.093 19.551 16.991 1.00 19.30 C ATOM 806 CG ASP 99 60.420 18.888 16.593 1.00 21.19 C ATOM 807 OD1 ASP 99 61.409 19.537 16.160 1.00 21.52 O ATOM 808 OD2 ASP 99 60.443 17.639 16.693 1.00 22.67 O ATOM 809 N VAL 100 60.277 22.420 15.240 1.00 17.74 N ATOM 810 CA VAL 100 60.556 22.980 13.918 1.00 17.71 C ATOM 811 C VAL 100 61.820 22.368 13.290 1.00 20.00 C ATOM 812 O VAL 100 62.884 22.362 13.936 1.00 19.64 O ATOM 813 CB VAL 100 60.713 24.523 14.004 1.00 17.39 C ATOM 814 CG1 VAL 100 61.011 25.124 12.602 1.00 17.30 C ATOM 815 CG2 VAL 100 59.427 25.140 14.547 1.00 15.71 C ATOM 816 N LYS 101 61.714 21.862 12.048 1.00 21.14 N ATOM 817 CA LYS 101 62.869 21.261 11.347 1.00 23.80 C ATOM 818 C LYS 101 63.070 21.858 9.945 1.00 25.69 C ATOM 819 O LYS 101 62.127 22.365 9.329 1.00 25.62 O ATOM 820 CB LYS 101 62.717 19.745 11.166 1.00 23.00 C ATOM 821 CG LYS 101 62.864 18.917 12.391 1.00 24.32 C ATOM 822 CD LYS 101 62.474 17.485 12.072 1.00 26.12 C ATOM 823 CE LYS 101 62.486 16.590 13.307 1.00 28.12 C ATOM 824 NZ LYS 101 61.366 16.856 14.278 1.00 30.17 N ATOM 825 N ASN 102 64.302 21.768 9.451 1.00 27.80 N ATOM 826 CA ASN 102 64.656 22.236 8.108 1.00 30.44 C ATOM 827 C ASN 102 65.053 21.011 7.283 1.00 31.38 C ATOM 828 O ASN 102 64.258 20.062 7.147 1.00 32.23 O ATOM 829 CB ASN 102 65.811 23.234 8.162 1.00 31.39 C ATOM 830 CG ASN 102 65.466 24.466 8.984 1.00 33.00 C ATOM 831 OD1 ASN 102 64.597 25.252 8.611 1.00 34.36 O ATOM 832 ND2 ASN 102 66.100 24.608 10.136 1.00 34.16 N ATOM 833 N VAL 107 67.142 16.584 13.166 1.00 34.32 N ATOM 834 CA VAL 107 66.896 17.120 14.511 1.00 34.66 C ATOM 835 C VAL 107 66.373 18.592 14.527 1.00 34.29 C ATOM 836 O VAL 107 66.927 19.486 13.866 1.00 34.99 O ATOM 837 CB VAL 107 68.154 16.931 15.438 1.00 34.17 C ATOM 838 CG1 VAL 107 69.285 17.832 15.025 1.00 33.81 C ATOM 839 CG2 VAL 107 67.788 17.162 16.903 1.00 34.23 C ATOM 840 N GLY 108 65.281 18.822 15.253 1.00 33.86 N ATOM 841 CA GLY 108 64.700 20.155 15.319 1.00 32.51 C ATOM 842 C GLY 108 64.985 20.963 16.574 1.00 31.56 C ATOM 843 O GLY 108 65.832 20.619 17.403 1.00 31.26 O ATOM 844 N LYS 109 64.271 22.076 16.673 1.00 30.01 N ATOM 845 CA LYS 109 64.345 23.012 17.781 1.00 28.62 C ATOM 846 C LYS 109 62.908 23.030 18.299 1.00 26.79 C ATOM 847 O LYS 109 61.966 23.143 17.502 1.00 24.56 O ATOM 848 CB LYS 109 64.668 24.388 17.245 1.00 31.04 C ATOM 849 CG LYS 109 66.048 24.856 17.481 1.00 33.94 C ATOM 850 CD LYS 109 65.989 26.184 18.237 1.00 35.83 C ATOM 851 CE LYS 109 67.201 27.040 17.909 1.00 37.69 C ATOM 852 NZ LYS 109 68.511 26.316 17.963 1.00 38.98 N ATOM 853 N THR 110 62.735 22.944 19.616 1.00 24.45 N ATOM 854 CA THR 110 61.398 22.892 20.208 1.00 23.31 C ATOM 855 C THR 110 61.094 23.996 21.223 1.00 22.29 C ATOM 856 O THR 110 61.998 24.651 21.737 1.00 21.40 O ATOM 857 CB THR 110 61.158 21.514 20.921 1.00 23.68 C ATOM 858 OG1 THR 110 62.045 21.394 22.050 1.00 23.97 O ATOM 859 CG2 THR 110 61.450 20.353 19.973 1.00 22.94 C ATOM 860 N SER 111 59.810 24.195 21.488 1.00 20.28 N ATOM 861 CA SER 111 59.354 25.162 22.475 1.00 19.82 C ATOM 862 C SER 111 57.995 24.650 22.935 1.00 19.30 C ATOM 863 O SER 111 57.246 24.080 22.132 1.00 19.35 O ATOM 864 CB SER 111 59.247 26.560 21.860 1.00 19.98 C ATOM 865 OG SER 111 59.106 27.563 22.866 1.00 19.38 O ATOM 866 N GLN 112 57.679 24.818 24.219 1.00 19.54 N ATOM 867 CA GLN 112 56.405 24.323 24.760 1.00 19.75 C ATOM 868 C GLN 112 55.540 25.403 25.403 1.00 19.29 C ATOM 869 O GLN 112 56.029 26.468 25.760 1.00 19.69 O ATOM 870 CB GLN 112 56.654 23.175 25.764 1.00 21.11 C ATOM 871 CG GLN 112 57.551 23.561 26.924 1.00 23.47 C ATOM 872 CD GLN 112 57.712 22.459 27.983 1.00 25.32 C ATOM 873 OE1 GLN 112 57.675 22.731 29.197 1.00 27.42 O ATOM 874 NE2 GLN 112 57.847 21.223 27.537 1.00 25.30 N ATOM 875 N VAL 113 54.250 25.100 25.545 1.00 19.82 N ATOM 876 CA VAL 113 53.248 25.986 26.143 1.00 18.42 C ATOM 877 C VAL 113 52.318 25.078 26.962 1.00 18.49 C ATOM 878 O VAL 113 52.001 23.969 26.526 1.00 17.15 O ATOM 879 CB VAL 113 52.441 26.740 25.033 1.00 19.10 C ATOM 880 CG1 VAL 113 51.821 25.729 24.025 1.00 18.63 C ATOM 881 CG2 VAL 113 51.347 27.619 25.657 1.00 18.61 C ATOM 882 N THR 114 51.942 25.508 28.170 1.00 18.84 N ATOM 883 CA THR 114 51.058 24.716 29.035 1.00 18.70 C ATOM 884 C THR 114 49.643 25.287 29.024 1.00 18.52 C ATOM 885 O THR 114 49.455 26.506 29.121 1.00 19.86 O ATOM 886 CB THR 114 51.606 24.665 30.517 1.00 19.81 C ATOM 887 OG1 THR 114 52.876 24.004 30.529 1.00 20.28 O ATOM 888 CG2 THR 114 50.645 23.905 31.450 1.00 20.04 C ATOM 889 N LEU 115 48.658 24.404 28.897 1.00 18.93 N ATOM 890 CA LEU 115 47.246 24.776 28.867 1.00 19.95 C ATOM 891 C LEU 115 46.481 24.458 30.175 1.00 22.15 C ATOM 892 O LEU 115 46.576 23.336 30.701 1.00 21.90 O ATOM 893 CB LEU 115 46.534 24.032 27.726 1.00 18.62 C ATOM 894 CG LEU 115 44.987 24.131 27.684 1.00 18.41 C ATOM 895 CD1 LEU 115 44.526 25.571 27.364 1.00 16.73 C ATOM 896 CD2 LEU 115 44.419 23.119 26.670 1.00 17.60 C ATOM 897 N TYR 116 45.671 25.417 30.632 1.00 23.95 N ATOM 898 CA TYR 116 44.813 25.251 31.810 1.00 25.78 C ATOM 899 C TYR 116 43.420 25.702 31.396 1.00 26.27 C ATOM 900 O TYR 116 43.275 26.801 30.872 1.00 26.08 O ATOM 901 CB TYR 116 45.237 26.159 32.973 1.00 26.08 C ATOM 902 CG TYR 116 46.610 25.913 33.473 1.00 27.15 C ATOM 903 CD1 TYR 116 46.889 24.803 34.245 1.00 27.60 C ATOM 904 CD2 TYR 116 47.647 26.779 33.143 1.00 28.08 C ATOM 905 CE1 TYR 116 48.172 24.550 34.671 1.00 29.03 C ATOM 906 CE2 TYR 116 48.937 26.545 33.559 1.00 28.99 C ATOM 907 CZ TYR 116 49.194 25.427 34.327 1.00 29.21 C ATOM 908 OH TYR 116 50.479 25.184 34.757 1.00 30.88 O ATOM 909 N VAL 117 42.411 24.857 31.592 1.00 28.07 N ATOM 910 CA VAL 117 41.043 25.252 31.278 1.00 31.06 C ATOM 911 C VAL 117 40.242 25.368 32.579 1.00 33.35 C ATOM 912 O VAL 117 40.365 24.539 33.481 1.00 33.60 O ATOM 913 CB VAL 117 40.321 24.331 30.208 1.00 31.20 C ATOM 914 CG1 VAL 117 41.317 23.477 29.409 1.00 30.99 C ATOM 915 CG2 VAL 117 39.203 23.529 30.805 1.00 31.10 C ATOM 916 N PHE 118 39.475 26.445 32.680 1.00 36.43 N ATOM 917 CA PHE 118 38.652 26.745 33.844 1.00 38.60 C ATOM 918 C PHE 118 37.184 26.840 33.402 1.00 40.24 C ATOM 919 O PHE 118 36.820 26.353 32.335 1.00 40.92 O ATOM 920 CB PHE 118 39.065 28.101 34.416 1.00 39.62 C ATOM 921 CG PHE 118 40.548 28.281 34.575 1.00 41.00 C ATOM 922 CD1 PHE 118 41.334 28.668 33.491 1.00 41.09 C ATOM 923 CD2 PHE 118 41.164 28.052 35.811 1.00 41.68 C ATOM 924 CE1 PHE 118 42.710 28.822 33.623 1.00 41.62 C ATOM 925 CE2 PHE 118 42.546 28.203 35.959 1.00 42.16 C ATOM 926 CZ PHE 118 43.324 28.590 34.854 1.00 42.06 C ATOM 927 N GLU 119 36.372 27.527 34.209 1.00 41.85 N ATOM 928 CA GLU 119 34.941 27.761 33.970 1.00 42.50 C ATOM 929 C GLU 119 34.159 26.520 33.588 1.00 43.48 C ATOM 930 O GLU 119 33.197 26.207 34.330 1.00 44.91 O ATOM 931 CB GLU 119 34.723 28.855 32.920 1.00 42.28 C TER 932 GLU 119 HETATM 933 O HOH 200 58.801 19.241 12.425 1.00 14.57 O HETATM 934 O HOH 201 52.131 28.988 22.312 1.00 19.40 O HETATM 935 O HOH 202 40.224 18.653 13.358 1.00 15.50 O HETATM 936 O HOH 204 60.868 29.231 22.950 1.00 16.42 O HETATM 937 O HOH 205 58.911 20.765 3.853 1.00 30.14 O HETATM 938 O HOH 208 56.062 23.324 3.591 1.00 44.16 O HETATM 939 O HOH 209 69.667 34.444 14.041 1.00 37.23 O HETATM 940 O HOH 210 44.699 14.384 18.873 1.00 20.77 O HETATM 941 O HOH 211 64.369 25.360 5.317 1.00 31.84 O HETATM 942 O HOH 212 46.985 12.384 22.976 1.00 31.86 O HETATM 943 O HOH 214 59.528 31.258 23.583 1.00 25.81 O HETATM 944 O HOH 215 54.472 18.201 24.949 1.00 26.03 O HETATM 945 O HOH 216 57.832 29.416 26.354 1.00 37.25 O HETATM 946 O HOH 217 52.348 17.420 31.067 1.00 32.60 O HETATM 947 O HOH 218 44.875 16.374 7.339 1.00 47.90 O HETATM 948 O HOH 219 43.766 14.963 28.162 1.00 33.42 O HETATM 949 O HOH 220 60.192 25.682 26.065 1.00 18.91 O HETATM 950 O HOH 221 36.384 31.173 33.572 1.00 44.11 O HETATM 951 O HOH 222 60.729 16.835 9.112 1.00 38.21 O HETATM 952 O HOH 224 54.711 4.942 28.751 1.00 25.54 O HETATM 953 O HOH 226 30.673 25.969 23.093 1.00 26.99 O HETATM 954 O HOH 228 43.997 31.987 22.126 1.00 32.30 O HETATM 955 O HOH 230 52.798 33.053 28.427 1.00 50.51 O HETATM 956 O HOH 231 44.769 16.497 31.469 1.00 31.77 O HETATM 957 O HOH 232 56.877 18.279 19.219 1.00 28.04 O HETATM 958 O HOH 233 44.057 12.884 16.872 1.00 34.11 O HETATM 959 O HOH 234 65.481 22.526 21.068 1.00 38.59 O HETATM 960 O HOH 235 64.733 24.712 22.373 1.00 65.20 O HETATM 961 O HOH 236 49.252 12.520 24.731 1.00 45.60 O HETATM 962 O HOH 237 44.008 17.672 33.861 1.00 49.21 O HETATM 963 O HOH 251 49.673 30.162 22.292 1.00 16.31 O HETATM 964 O HOH 253 40.652 21.409 10.348 1.00 19.37 O HETATM 965 O HOH 254 48.349 21.731 32.890 1.00 29.00 O HETATM 966 O HOH 255 67.357 27.580 3.544 1.00 37.08 O HETATM 967 O HOH 256 56.336 34.721 11.791 1.00 37.49 O HETATM 968 O HOH 258 52.761 17.215 33.872 1.00 38.51 O HETATM 969 O HOH 259 69.802 39.739 9.597 1.00 28.06 O HETATM 970 O HOH 260 39.235 29.626 14.132 1.00 31.61 O HETATM 971 O HOH 261 46.205 28.652 7.022 1.00 42.14 O HETATM 972 O HOH 262 58.868 15.885 13.728 1.00 32.22 O HETATM 973 O HOH 263 46.542 12.494 20.253 1.00 33.96 O HETATM 974 O HOH 265 62.577 27.361 22.682 1.00 29.59 O HETATM 975 O HOH 267 64.329 33.805 4.976 1.00 26.98 O HETATM 976 O HOH 270 64.985 38.673 9.509 1.00 48.92 O HETATM 977 O HOH 271 40.797 21.845 33.851 1.00 37.06 O HETATM 978 O HOH 272 63.411 34.229 9.708 1.00 55.75 O HETATM 979 O HOH 273 65.367 23.845 13.479 1.00 44.84 O HETATM 980 O HOH 274 62.187 19.240 6.326 1.00 38.82 O HETATM 981 O HOH 275 72.960 37.754 7.675 1.00 46.49 O HETATM 982 O HOH 301 64.554 28.159 20.671 1.00 27.32 O HETATM 983 O HOH 303 50.434 20.216 33.106 1.00 35.47 O HETATM 984 O HOH 304 49.066 13.987 11.808 1.00 38.28 O HETATM 985 O HOH 305 58.256 15.561 6.902 1.00 67.39 O HETATM 986 O HOH 307 42.680 22.969 9.129 1.00 19.59 O HETATM 987 O HOH 308 60.667 22.471 24.506 1.00 30.25 O HETATM 988 O HOH 309 44.628 12.215 26.586 1.00 38.99 O HETATM 989 O HOH 310 61.769 31.661 2.479 1.00 22.74 O HETATM 990 O HOH 311 49.384 33.123 16.840 1.00 32.17 O HETATM 991 O HOH 312 57.863 33.570 23.140 1.00 39.78 O HETATM 992 O HOH 313 62.046 34.146 3.472 1.00 40.74 O HETATM 993 O HOH 315 65.495 19.802 20.765 1.00 39.44 O HETATM 994 O HOH 316 71.443 31.842 3.794 1.00 38.66 O HETATM 995 O HOH 317 54.248 33.872 21.201 1.00 46.32 O HETATM 996 O HOH 318 40.955 15.743 27.216 1.00 43.28 O HETATM 997 O HOH 319 55.243 34.097 27.186 1.00 47.11 O HETATM 998 O HOH 320 36.501 29.480 14.628 1.00 29.98 O HETATM 999 O HOH 352 44.268 21.860 7.188 1.00 25.96 O HETATM 1000 O HOH 353 60.634 28.707 25.397 1.00 34.21 O HETATM 1001 O HOH 354 54.378 16.483 2.790 1.00 26.97 O HETATM 1002 O HOH 355 59.237 34.893 12.468 1.00 37.34 O HETATM 1003 O HOH 358 53.933 34.929 13.067 1.00 59.30 O HETATM 1004 O HOH 360 39.187 30.298 25.959 1.00 41.21 O HETATM 1005 O HOH 361 35.489 31.775 15.677 1.00 33.64 O HETATM 1006 O HOH 362 44.156 32.409 15.527 1.00 41.88 O HETATM 1007 O HOH 363 56.868 16.494 26.480 1.00 59.18 O HETATM 1008 O HOH 364 58.854 20.823 25.238 1.00 43.07 O HETATM 1009 O HOH 366 46.582 32.337 22.726 1.00 34.56 O HETATM 1010 O HOH 370 66.069 24.326 1.536 1.00 46.55 O HETATM 1011 O HOH 372 51.520 20.814 -1.442 1.00 41.34 O HETATM 1012 O HOH 373 58.959 28.016 28.716 1.00 65.66 O HETATM 1013 O HOH 374 51.831 4.754 25.525 1.00 53.79 O HETATM 1014 O HOH 376 59.645 31.304 4.509 1.00 44.82 O HETATM 1015 O HOH 377 67.092 28.689 20.694 1.00 27.33 O HETATM 1016 O HOH 378 33.834 19.027 19.132 1.00 37.86 O HETATM 1017 O HOH 379 52.826 8.927 31.704 1.00 52.00 O HETATM 1018 O HOH 384 72.349 40.062 11.060 1.00 42.11 O HETATM 1019 O HOH 387 44.965 15.302 16.293 1.00 53.66 O HETATM 1020 O HOH 389 45.906 14.475 33.258 1.00 57.84 O HETATM 1021 O HOH 390 56.770 30.299 -0.188 1.00 48.66 O HETATM 1022 O HOH 391 54.885 25.882 29.932 1.00 32.79 O HETATM 1023 O HOH 392 54.593 6.892 31.462 1.00 56.18 O HETATM 1024 O HOH 394 73.435 36.575 10.537 1.00 46.97 O HETATM 1025 O HOH 399 68.198 18.910 10.010 1.00 71.72 O HETATM 1026 O HOH 400 45.179 10.321 12.296 1.00 37.03 O HETATM 1027 O HOH 401 46.093 32.627 28.070 1.00 38.90 O HETATM 1028 O HOH 402 49.450 26.296 3.966 1.00 27.10 O HETATM 1029 O HOH 403 44.098 19.268 6.480 1.00 29.75 O HETATM 1030 O HOH 405 33.296 21.071 25.954 1.00 46.28 O HETATM 1031 O HOH 408 53.682 26.810 33.309 1.00 35.69 O HETATM 1032 O HOH 409 73.468 40.607 13.336 1.00 30.83 O HETATM 1033 O HOH 410 45.135 10.733 16.011 1.00 50.08 O HETATM 1034 O HOH 411 62.607 30.071 26.382 1.00 44.55 O HETATM 1035 O HOH 415 32.613 17.205 13.268 1.00 59.79 O HETATM 1036 O HOH 417 64.453 27.755 25.625 1.00 57.91 O HETATM 1037 O HOH 419 32.292 27.659 29.954 1.00 41.05 O HETATM 1038 O HOH 420 41.473 25.008 7.795 1.00 65.76 O HETATM 1039 O HOH 421 48.788 33.673 19.280 1.00 48.84 O HETATM 1040 O HOH 422 44.628 23.990 5.059 1.00 40.69 O HETATM 1041 O HOH 423 40.566 31.419 15.563 1.00 60.51 O HETATM 1042 O HOH 427 48.029 17.502 2.492 1.00 59.90 O HETATM 1043 O HOH 433 32.158 28.557 26.270 1.00 85.61 O HETATM 1044 O HOH 435 46.782 10.901 18.084 1.00 41.01 O HETATM 1045 O HOH 437 49.744 10.603 26.833 1.00 49.79 O HETATM 1046 O HOH 438 41.375 31.037 19.338 1.00 28.87 O HETATM 1047 O HOH 440 66.871 16.098 7.754 1.00 57.33 O HETATM 1048 O HOH 441 58.505 26.801 32.526 1.00 43.64 O HETATM 1049 O HOH 442 42.169 27.503 8.631 1.00 44.97 O HETATM 1050 O HOH 443 54.274 31.480 -1.657 1.00 73.41 O HETATM 1051 O HOH 452 66.277 21.372 11.803 1.00 42.94 O HETATM 1052 O HOH 453 51.009 10.446 29.272 1.00 34.08 O HETATM 1053 O HOH 455 63.465 16.348 8.887 1.00 32.31 O HETATM 1054 O HOH 457 71.142 35.318 4.327 1.00 50.09 O HETATM 1055 O HOH 458 34.889 19.612 30.200 1.00 41.58 O HETATM 1056 O HOH 462 49.473 11.976 9.924 1.00 64.94 O HETATM 1057 O HOH 463 37.385 26.056 37.201 1.00 36.92 O HETATM 1058 O HOH 467 30.553 23.314 23.041 1.00 48.42 O HETATM 1059 O HOH 469 54.298 17.965 -1.465 1.00 51.97 O HETATM 1060 O HOH 471 57.382 25.547 30.239 1.00 33.27 O HETATM 1061 O HOH 473 59.526 14.909 11.274 1.00 40.00 O HETATM 1062 O HOH 484 49.068 33.490 26.549 1.00 67.85 O HETATM 1063 O HOH 500 37.785 15.442 20.148 1.00 38.37 O HETATM 1064 O HOH 501 50.128 12.974 13.897 1.00 46.33 O HETATM 1065 O HOH 506 58.696 17.218 29.009 1.00 42.58 O HETATM 1066 O HOH 510 49.303 33.220 13.724 1.00 44.70 O HETATM 1067 O HOH 511 36.348 33.954 17.070 1.00 57.35 O HETATM 1068 O HOH 514 32.045 23.434 33.185 1.00 51.41 O HETATM 1069 O HOH 516 65.347 17.295 18.969 1.00 79.16 O HETATM 1070 O HOH 517 56.295 14.856 3.311 1.00 59.31 O HETATM 1071 O HOH 520 34.947 32.822 30.557 1.00 46.96 O HETATM 1072 O HOH 521 56.866 35.218 18.734 1.00 56.37 O HETATM 1073 O HOH 551 66.505 16.878 10.374 1.00 47.99 O HETATM 1074 O HOH 555 52.014 35.663 20.221 1.00 63.40 O HETATM 1075 O HOH 556 54.387 12.806 6.174 1.00 57.30 O HETATM 1076 O HOH 557 57.721 33.133 26.994 1.00 48.45 O HETATM 1077 O HOH 559 32.477 30.180 30.287 1.00 58.74 O HETATM 1078 O HOH 567 35.160 18.871 24.031 1.00 57.30 O HETATM 1079 O HOH 571 29.896 19.943 22.223 1.00 57.72 O HETATM 1080 O HOH 572 41.943 15.488 9.169 1.00 60.97 O HETATM 1081 O HOH 573 61.309 18.605 25.331 1.00 51.44 O HETATM 1082 O HOH 578 52.067 35.603 15.621 1.00 57.69 O HETATM 1083 O HOH 579 69.238 26.822 1.054 1.00 38.84 O HETATM 1084 O HOH 581 68.277 23.884 15.104 1.00 74.40 O HETATM 1085 O HOH 583 63.471 18.106 17.180 1.00 65.55 O HETATM 1086 O HOH 600 55.151 3.293 30.981 1.00 62.47 O HETATM 1087 O HOH 601 38.468 32.232 32.100 1.00 48.37 O HETATM 1088 O HOH 602 54.160 15.240 -0.244 1.00 69.95 O HETATM 1089 O HOH 603 55.656 37.650 11.307 1.00 52.79 O HETATM 1090 O HOH 604 65.273 18.543 4.807 1.00 59.45 O HETATM 1091 O HOH 605 66.441 36.925 7.593 1.00 58.25 O HETATM 1092 O HOH 606 42.801 23.981 35.436 1.00 57.72 O HETATM 1093 O HOH 607 66.109 27.294 14.712 1.00 59.57 O HETATM 1094 O HOH 608 48.882 28.933 4.342 1.00 48.85 O HETATM 1095 O HOH 612 65.322 34.506 8.021 1.00 50.08 O HETATM 1096 O HOH 615 45.545 32.875 9.540 1.00 65.73 O CONECT 161 160 800 CONECT 800 161 799 MASTER 251 0 0 2 11 0 0 6 1095 1 2 10 END