HEADER ASPARTYL PROTEASE 24-JAN-97 1HXW TITLE HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 PROTEASE; COMPND 3 CHAIN: A, B; COMPND 4 EC: 3.4.23.16; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; SOURCE 3 ORGANISM_COMMON: HIV-1; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: SCS-1; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PBS7-CI KEYWDS ASPARTYL PROTEASE, HYDROLASE, ASPARTIC PROTEINASE, HIV EXPDTA X-RAY DIFFRACTION AUTHOR C.H.PARK,V.NIENABER,X.P.KONG REVDAT 1 04-FEB-98 1HXW 0 JRNL AUTH D.J.KEMPF,K.C.MARSH,J.F.DENISSEN,E.MCDONALD, JRNL AUTH 2 S.VASAVANONDA,C.A.FLENTGE,B.E.GREEN,L.FINO, JRNL AUTH 3 C.H.PARK,X.P.KONG,N.E.WIDEBURG,A.SALDIVAR,L.RUIZ, JRNL AUTH 4 W.M.KATI,H.L.SHAM,T.ROBINS,K.D.STEWART,A.HSU, JRNL AUTH 5 J.J.PLATTNER,J.M.LEONARD,D.W.NORBECK JRNL TITL ABT-538 IS A POTENT INHIBITOR OF HUMAN JRNL TITL 2 IMMUNODEFICIENCY VIRUS PROTEASE AND HAS HIGH ORAL JRNL TITL 3 BIOAVAILABILITY IN HUMANS JRNL REF PROC.NAT.ACAD.SCI.USA V. 92 2484 1995 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.8 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) : 1.8 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2. REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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) : 0.201 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL 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 : 1520 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 98 REMARK 3 SOLVENT ATOMS : 300 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.7 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL 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 1HXW COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-APR-1994 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : R-AXIS IIC REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS SOFTWARE REMARK 200 DATA SCALING SOFTWARE : R-AXIS SOFTWARE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18726 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 78.7 REMARK 200 DATA REDUNDANCY : 2.8 REMARK 200 R MERGE (I) : 0.0434 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> 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 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.3 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: P 21 21 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 1/2-X,1/2+Y,-Z REMARK 290 4555 1/2+X,1/2-Y,-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 -1.000000 0.000000 0.000000 30.53062 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 43.44049 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 30.53062 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 43.44049 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL. ATOMS WITH REMARK 500 NON-BLANK ALTERNATE LOCATION INDICATORS ARE NOT INCLUDED REMARK 500 IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 2HH1 ARG A 41 2HH1 ARG A 41 2565 1.16 REMARK 500 H TRP B 42 1HE2 GLN A 92 3545 1.34 REMARK 500 2HE2 GLN B 61 2H HOH 5 4555 1.49 REMARK 999 REMARK 999 SEQUENCE REMARK 999 1HXW A SWS P12499 1 - 55 NOT IN ATOMS LIST REMARK 999 1HXW A SWS P12499 155 - 1002 NOT IN ATOMS LIST REMARK 999 1HXW B SWS P12499 1 - 55 NOT IN ATOMS LIST REMARK 999 1HXW B SWS P12499 155 - 1002 NOT IN ATOMS LIST DBREF 1HXW A 1 99 SWS P12499 POL_HV1Z2 56 154 DBREF 1HXW B 1 99 SWS P12499 POL_HV1Z2 56 154 SEQADV 1HXW ARG A 41 SWS P12499 LYS 96 CONFLICT SEQADV 1HXW ARG B 241 SWS P12499 LYS 96 CONFLICT SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET RIT 301 50 HETNAM RIT RITONAVIR HETSYN RIT A-84538 FORMUL 3 RIT C37 H48 N6 O5 S2 FORMUL 4 HOH *100(H2 O1) HELIX 1 1 ARG A 87 LEU A 90 1 4 HELIX 2 2 ARG B 87 GLN B 92 1 6 SHEET 1 A 2 LEU A 10 ILE A 15 0 SHEET 2 A 2 GLN A 18 LEU A 23 -1 N ALA A 22 O VAL A 11 SHEET 1 B 3 LYS A 43 GLY A 49 0 SHEET 2 B 3 GLY A 52 TYR A 59 -1 N GLN A 58 O LYS A 43 SHEET 3 B 3 VAL A 75 GLY A 78 -1 N VAL A 77 O ARG A 57 SHEET 1 C 2 ILE A 62 ILE A 66 0 SHEET 2 C 2 HIS A 69 GLY A 73 -1 N GLY A 73 O ILE A 62 SHEET 1 D 2 THR A 96 ASN A 98 0 SHEET 2 D 2 THR B 96 ASN B 98 -1 N ASN B 98 O THR A 96 SHEET 1 E 2 LEU B 10 ILE B 15 0 SHEET 2 E 2 GLN B 18 LEU B 23 -1 N ALA B 22 O VAL B 11 SHEET 1 F 3 LYS B 43 GLY B 49 0 SHEET 2 F 3 GLY B 52 TYR B 59 -1 N GLN B 58 O LYS B 43 SHEET 3 F 3 VAL B 75 GLY B 78 -1 N VAL B 77 O ARG B 57 SHEET 1 G 2 ILE B 62 ILE B 66 0 SHEET 2 G 2 HIS B 69 GLY B 73 -1 N GLY B 73 O ILE B 62 CRYST1 61.060 86.880 46.620 90.00 90.00 90.00 P 21 21 2 8 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 0.016377 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011510 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021450 0.00000 ATOM 1 N PRO A 1 29.071 39.248 5.491 1.00 36.45 N ATOM 2 CA PRO A 1 29.983 38.171 5.136 1.00 35.67 C ATOM 3 C PRO A 1 29.540 37.373 3.917 1.00 31.34 C ATOM 4 O PRO A 1 28.380 37.476 3.533 1.00 34.24 O ATOM 5 CB PRO A 1 30.126 37.270 6.375 1.00 35.64 C ATOM 6 CG PRO A 1 28.910 37.672 7.181 1.00 38.30 C ATOM 7 CD PRO A 1 28.927 39.170 6.913 1.00 39.93 C ATOM 8 1H PRO A 1 29.246 40.197 5.100 1.00 0.00 H ATOM 9 2H PRO A 1 28.124 39.059 5.075 1.00 0.00 H ATOM 10 N GLN A 2 30.417 36.603 3.299 1.00 30.20 N ATOM 11 CA GLN A 2 30.037 35.792 2.165 1.00 32.99 C ATOM 12 C GLN A 2 30.067 34.364 2.629 1.00 33.44 C ATOM 13 O GLN A 2 31.097 33.938 3.141 1.00 34.15 O ATOM 14 CB GLN A 2 30.999 35.913 1.046 1.00 36.81 C ATOM 15 CG GLN A 2 30.349 35.299 -0.134 1.00 44.73 C ATOM 16 CD GLN A 2 31.238 35.322 -1.346 1.00 51.11 C ATOM 17 OE1 GLN A 2 32.218 34.584 -1.345 1.00 54.41 O ATOM 18 NE2 GLN A 2 30.989 36.146 -2.352 1.00 49.42 N ATOM 19 H GLN A 2 31.340 36.518 3.602 1.00 0.00 H ATOM 20 1HE2 GLN A 2 31.567 36.076 -3.121 1.00 0.00 H ATOM 21 2HE2 GLN A 2 30.232 36.770 -2.292 1.00 0.00 H ATOM 22 N ILE A 3 28.952 33.657 2.537 1.00 30.28 N ATOM 23 CA ILE A 3 28.864 32.290 3.024 1.00 26.83 C ATOM 24 C ILE A 3 28.747 31.269 1.863 1.00 25.88 C ATOM 25 O ILE A 3 27.788 31.410 1.070 1.00 22.73 O ATOM 26 CB ILE A 3 27.646 32.277 3.994 1.00 27.13 C ATOM 27 CG1 ILE A 3 27.885 33.296 5.129 1.00 27.34 C ATOM 28 CG2 ILE A 3 27.429 30.848 4.533 1.00 24.72 C ATOM 29 CD1 ILE A 3 26.899 33.242 6.316 1.00 31.20 C ATOM 30 H ILE A 3 28.179 34.033 2.064 1.00 0.00 H ATOM 31 N THR A 4 29.708 30.345 1.676 1.00 24.57 N ATOM 32 CA THR A 4 29.614 29.358 0.616 1.00 23.12 C ATOM 33 C THR A 4 28.807 28.229 1.263 1.00 19.99 C ATOM 34 O THR A 4 28.670 28.158 2.498 1.00 18.71 O ATOM 35 CB THR A 4 31.016 28.818 0.150 1.00 24.66 C ATOM 36 OG1 THR A 4 31.558 28.179 1.316 1.00 26.61 O ATOM 37 CG2 THR A 4 31.897 29.889 -0.520 1.00 25.79 C ATOM 38 H THR A 4 30.459 30.247 2.292 1.00 0.00 H ATOM 39 HG1 THR A 4 32.356 28.566 1.679 1.00 0.00 H ATOM 40 N LEU A 5 28.307 27.333 0.416 1.00 18.03 N ATOM 41 CA LEU A 5 27.380 26.343 0.819 1.00 15.42 C ATOM 42 C LEU A 5 27.964 24.942 0.781 1.00 16.45 C ATOM 43 O LEU A 5 27.277 23.946 0.690 1.00 11.79 O ATOM 44 CB LEU A 5 26.147 26.556 -0.092 1.00 13.75 C ATOM 45 CG LEU A 5 25.511 27.966 0.053 1.00 13.25 C ATOM 46 CD1 LEU A 5 24.443 28.269 -0.968 1.00 13.81 C ATOM 47 CD2 LEU A 5 24.963 28.006 1.453 1.00 13.27 C ATOM 48 H LEU A 5 28.579 27.352 -0.514 1.00 0.00 H ATOM 49 N TRP A 6 29.282 24.824 0.761 1.00 16.26 N ATOM 50 CA TRP A 6 29.917 23.524 0.916 1.00 20.27 C ATOM 51 C TRP A 6 29.531 22.992 2.257 1.00 18.01 C ATOM 52 O TRP A 6 29.453 21.812 2.420 1.00 22.18 O ATOM 53 CB TRP A 6 31.405 23.575 0.944 1.00 15.79 C ATOM 54 CG TRP A 6 32.074 23.953 -0.361 1.00 18.64 C ATOM 55 CD1 TRP A 6 32.313 25.243 -0.779 1.00 19.76 C ATOM 56 CD2 TRP A 6 32.541 23.008 -1.227 1.00 19.91 C ATOM 57 NE1 TRP A 6 32.916 25.104 -1.917 1.00 20.00 N ATOM 58 CE2 TRP A 6 33.086 23.797 -2.235 1.00 22.63 C ATOM 59 CE3 TRP A 6 32.574 21.616 -1.268 1.00 21.29 C ATOM 60 CZ2 TRP A 6 33.692 23.127 -3.316 1.00 24.23 C ATOM 61 CZ3 TRP A 6 33.172 20.967 -2.342 1.00 23.22 C ATOM 62 CH2 TRP A 6 33.737 21.723 -3.362 1.00 21.93 C ATOM 63 H TRP A 6 29.838 25.630 0.751 1.00 0.00 H ATOM 64 HE1 TRP A 6 33.178 25.854 -2.492 1.00 0.00 H ATOM 65 N GLN A 7 29.262 23.791 3.255 1.00 18.43 N ATOM 66 CA GLN A 7 28.827 23.345 4.541 1.00 18.15 C ATOM 67 C GLN A 7 27.530 24.042 4.830 1.00 16.06 C ATOM 68 O GLN A 7 27.108 24.948 4.137 1.00 18.09 O ATOM 69 CB GLN A 7 29.818 23.723 5.608 1.00 28.80 C ATOM 70 CG GLN A 7 31.200 23.111 5.391 1.00 44.09 C ATOM 71 CD GLN A 7 32.375 23.984 5.867 1.00 53.77 C ATOM 72 OE1 GLN A 7 32.568 25.167 5.554 1.00 61.48 O ATOM 73 NE2 GLN A 7 33.255 23.399 6.646 1.00 56.32 N ATOM 74 H GLN A 7 29.312 24.762 3.138 1.00 0.00 H ATOM 75 1HE2 GLN A 7 34.048 23.898 6.907 1.00 0.00 H ATOM 76 2HE2 GLN A 7 33.103 22.473 6.906 1.00 0.00 H ATOM 77 N ARG A 8 26.834 23.541 5.844 1.00 18.56 N ATOM 78 CA ARG A 8 25.590 24.126 6.309 1.00 19.32 C ATOM 79 C ARG A 8 25.877 25.558 6.729 1.00 20.01 C ATOM 80 O ARG A 8 26.858 25.719 7.478 1.00 18.56 O ATOM 81 CB ARG A 8 25.039 23.350 7.512 1.00 21.88 C ATOM 82 CG ARG A 8 24.307 22.051 7.237 1.00 29.35 C ATOM 83 CD ARG A 8 23.948 21.359 8.528 1.00 39.12 C ATOM 84 NE ARG A 8 22.815 20.429 8.288 1.00 52.84 N ATOM 85 CZ ARG A 8 21.927 20.143 9.268 1.00 64.39 C ATOM 86 NH1 ARG A 8 21.979 20.814 10.472 1.00 70.05 N ATOM 87 NH2 ARG A 8 20.873 19.330 9.064 1.00 68.82 N ATOM 88 H ARG A 8 27.161 22.745 6.271 1.00 0.00 H ATOM 89 HE ARG A 8 22.749 19.897 7.464 1.00 0.00 H ATOM 90 1HH1 ARG A 8 22.763 21.433 10.658 1.00 0.00 H ATOM 91 2HH1 ARG A 8 21.314 20.601 11.210 1.00 0.00 H ATOM 92 1HH2 ARG A 8 20.741 18.836 8.224 1.00 0.00 H ATOM 93 2HH2 ARG A 8 20.266 19.172 9.843 1.00 0.00 H ATOM 94 N PRO A 9 25.098 26.578 6.301 1.00 21.99 N ATOM 95 CA PRO A 9 25.313 27.964 6.736 1.00 22.09 C ATOM 96 C PRO A 9 24.826 28.218 8.188 1.00 19.31 C ATOM 97 O PRO A 9 23.773 28.799 8.452 1.00 20.50 O ATOM 98 CB PRO A 9 24.615 28.683 5.600 1.00 19.79 C ATOM 99 CG PRO A 9 23.436 27.844 5.214 1.00 19.75 C ATOM 100 CD PRO A 9 23.983 26.446 5.332 1.00 19.39 C ATOM 101 N LEU A 10 25.537 27.724 9.201 1.00 21.47 N ATOM 102 CA LEU A 10 25.190 27.845 10.613 1.00 23.14 C ATOM 103 C LEU A 10 25.903 29.023 11.161 1.00 24.04 C ATOM 104 O LEU A 10 27.077 29.149 10.844 1.00 27.14 O ATOM 105 CB LEU A 10 25.645 26.677 11.404 1.00 26.15 C ATOM 106 CG LEU A 10 24.758 25.526 11.201 1.00 29.78 C ATOM 107 CD1 LEU A 10 25.583 24.282 11.370 1.00 36.55 C ATOM 108 CD2 LEU A 10 23.599 25.621 12.150 1.00 32.86 C ATOM 109 H LEU A 10 26.416 27.342 8.964 1.00 0.00 H ATOM 110 N VAL A 11 25.198 29.866 11.930 1.00 23.25 N ATOM 111 CA VAL A 11 25.693 31.151 12.494 1.00 23.13 C ATOM 112 C VAL A 11 25.242 31.179 13.928 1.00 21.37 C ATOM 113 O VAL A 11 24.309 30.462 14.324 1.00 21.13 O ATOM 114 CB VAL A 11 25.086 32.477 11.827 1.00 21.35 C ATOM 115 CG1 VAL A 11 25.430 32.458 10.362 1.00 21.78 C ATOM 116 CG2 VAL A 11 23.563 32.604 11.972 1.00 20.71 C ATOM 117 H VAL A 11 24.258 29.632 12.118 1.00 0.00 H ATOM 118 N THR A 12 25.863 32.007 14.709 1.00 22.45 N ATOM 119 CA THR A 12 25.385 32.213 16.048 1.00 25.16 C ATOM 120 C THR A 12 24.299 33.271 16.134 1.00 24.28 C ATOM 121 O THR A 12 24.376 34.309 15.478 1.00 27.42 O ATOM 122 CB THR A 12 26.588 32.573 16.951 1.00 27.38 C ATOM 123 OG1 THR A 12 27.523 31.496 16.836 1.00 28.64 O ATOM 124 CG2 THR A 12 26.199 32.668 18.435 1.00 29.73 C ATOM 125 H THR A 12 26.704 32.426 14.432 1.00 0.00 H ATOM 126 HG1 THR A 12 28.321 31.688 17.325 1.00 0.00 H ATOM 127 N ILE A 13 23.214 33.037 16.855 1.00 26.19 N ATOM 128 CA ILE A 13 22.179 34.029 17.057 1.00 26.42 C ATOM 129 C ILE A 13 22.174 34.384 18.537 1.00 29.26 C ATOM 130 O ILE A 13 22.518 33.503 19.353 1.00 25.78 O ATOM 131 CB ILE A 13 20.738 33.534 16.710 1.00 25.30 C ATOM 132 CG1 ILE A 13 20.331 32.241 17.416 1.00 21.75 C ATOM 133 CG2 ILE A 13 20.718 33.401 15.211 1.00 24.96 C ATOM 134 CD1 ILE A 13 18.804 31.976 17.372 1.00 27.62 C ATOM 135 H ILE A 13 23.134 32.184 17.316 1.00 0.00 H ATOM 136 N LYS A 14 21.756 35.599 18.886 1.00 28.37 N ATOM 137 CA LYS A 14 21.598 35.921 20.275 1.00 28.73 C ATOM 138 C LYS A 14 20.141 36.254 20.369 1.00 26.19 C ATOM 139 O LYS A 14 19.623 37.092 19.609 1.00 24.95 O ATOM 140 CB LYS A 14 22.441 37.086 20.613 1.00 38.13 C ATOM 141 CG LYS A 14 22.578 37.168 22.114 1.00 49.08 C ATOM 142 CD LYS A 14 23.310 38.437 22.583 1.00 54.54 C ATOM 143 CE LYS A 14 24.547 38.940 21.778 1.00 63.02 C ATOM 144 NZ LYS A 14 25.652 38.011 21.547 1.00 65.91 N ATOM 145 H LYS A 14 21.499 36.246 18.193 1.00 0.00 H ATOM 146 1HZ LYS A 14 25.957 37.649 22.472 1.00 0.00 H ATOM 147 2HZ LYS A 14 25.328 37.216 20.958 1.00 0.00 H ATOM 148 3HZ LYS A 14 26.440 38.503 21.077 1.00 0.00 H ATOM 149 N ILE A 15 19.463 35.524 21.266 1.00 28.29 N ATOM 150 CA ILE A 15 18.002 35.618 21.414 1.00 30.70 C ATOM 151 C ILE A 15 17.641 35.358 22.844 1.00 34.10 C ATOM 152 O ILE A 15 18.103 34.352 23.381 1.00 37.43 O ATOM 153 CB ILE A 15 17.258 34.580 20.512 1.00 28.66 C ATOM 154 CG1 ILE A 15 15.854 34.586 20.920 1.00 26.90 C ATOM 155 CG2 ILE A 15 17.816 33.166 20.619 1.00 27.83 C ATOM 156 CD1 ILE A 15 14.921 34.308 19.778 1.00 24.15 C ATOM 157 H ILE A 15 19.943 34.876 21.830 1.00 0.00 H ATOM 158 N GLY A 16 16.882 36.245 23.482 1.00 37.74 N ATOM 159 CA GLY A 16 16.447 36.085 24.875 1.00 43.34 C ATOM 160 C GLY A 16 17.597 35.744 25.842 1.00 44.56 C ATOM 161 O GLY A 16 17.499 34.835 26.691 1.00 46.24 O ATOM 162 H GLY A 16 16.622 37.059 23.012 1.00 0.00 H ATOM 163 N GLY A 17 18.695 36.507 25.614 1.00 45.10 N ATOM 164 CA GLY A 17 19.977 36.421 26.312 1.00 45.02 C ATOM 165 C GLY A 17 20.763 35.129 26.090 1.00 47.21 C ATOM 166 O GLY A 17 21.757 34.928 26.796 1.00 48.99 O ATOM 167 H GLY A 17 18.614 37.179 24.905 1.00 0.00 H ATOM 168 N GLN A 18 20.424 34.193 25.188 1.00 46.59 N ATOM 169 CA GLN A 18 21.211 32.994 25.029 1.00 41.59 C ATOM 170 C GLN A 18 21.752 33.011 23.618 1.00 36.38 C ATOM 171 O GLN A 18 21.158 33.548 22.684 1.00 34.21 O ATOM 172 CB GLN A 18 20.312 31.804 25.296 1.00 46.62 C ATOM 173 CG GLN A 18 19.857 31.703 26.762 1.00 56.16 C ATOM 174 CD GLN A 18 18.541 30.933 27.001 1.00 64.34 C ATOM 175 OE1 GLN A 18 18.309 29.795 26.559 1.00 65.71 O ATOM 176 NE2 GLN A 18 17.586 31.489 27.745 1.00 68.16 N ATOM 177 H GLN A 18 19.647 34.308 24.604 1.00 0.00 H ATOM 178 1HE2 GLN A 18 16.756 30.996 27.819 1.00 0.00 H ATOM 179 2HE2 GLN A 18 17.753 32.384 28.110 1.00 0.00 H ATOM 180 N LEU A 19 22.953 32.503 23.474 1.00 33.19 N ATOM 181 CA LEU A 19 23.511 32.354 22.154 1.00 32.72 C ATOM 182 C LEU A 19 23.096 30.990 21.630 1.00 33.84 C ATOM 183 O LEU A 19 23.169 29.990 22.358 1.00 32.05 O ATOM 184 CB LEU A 19 25.002 32.429 22.212 1.00 32.54 C ATOM 185 CG LEU A 19 25.510 33.769 22.619 1.00 34.25 C ATOM 186 CD1 LEU A 19 26.948 33.719 22.964 1.00 35.42 C ATOM 187 CD2 LEU A 19 25.321 34.694 21.465 1.00 34.19 C ATOM 188 H LEU A 19 23.402 32.107 24.244 1.00 0.00 H ATOM 189 N LYS A 20 22.573 30.910 20.415 1.00 31.89 N ATOM 190 CA LYS A 20 22.207 29.648 19.840 1.00 29.73 C ATOM 191 C LYS A 20 22.869 29.543 18.495 1.00 27.75 C ATOM 192 O LYS A 20 23.407 30.496 17.955 1.00 24.82 O ATOM 193 CB LYS A 20 20.724 29.589 19.710 1.00 32.99 C ATOM 194 CG LYS A 20 20.212 29.359 21.070 1.00 36.18 C ATOM 195 CD LYS A 20 18.785 28.970 21.101 1.00 45.14 C ATOM 196 CE LYS A 20 18.593 28.679 22.579 1.00 52.61 C ATOM 197 NZ LYS A 20 17.237 28.271 22.923 1.00 60.73 N ATOM 198 H LYS A 20 22.475 31.708 19.854 1.00 0.00 H ATOM 199 1HZ LYS A 20 16.978 27.422 22.381 1.00 0.00 H ATOM 200 2HZ LYS A 20 17.199 28.039 23.941 1.00 0.00 H ATOM 201 3HZ LYS A 20 16.566 29.039 22.724 1.00 0.00 H ATOM 202 N GLU A 21 22.803 28.389 17.889 1.00 26.72 N ATOM 203 CA GLU A 21 23.450 28.145 16.618 1.00 28.53 C ATOM 204 C GLU A 21 22.243 28.053 15.685 1.00 24.82 C ATOM 205 O GLU A 21 21.253 27.417 16.097 1.00 22.99 O ATOM 206 CB GLU A 21 24.150 26.816 16.700 1.00 39.67 C ATOM 207 CG GLU A 21 25.151 26.513 15.622 1.00 58.04 C ATOM 208 CD GLU A 21 26.575 27.052 15.834 1.00 69.61 C ATOM 209 OE1 GLU A 21 26.787 28.058 16.543 1.00 76.43 O ATOM 210 OE2 GLU A 21 27.486 26.439 15.258 1.00 76.42 O ATOM 211 H GLU A 21 22.201 27.693 18.210 1.00 0.00 H ATOM 212 N ALA A 22 22.172 28.605 14.483 1.00 22.55 N ATOM 213 CA ALA A 22 20.970 28.391 13.679 1.00 19.12 C ATOM 214 C ALA A 22 21.378 28.449 12.231 1.00 17.58 C ATOM 215 O ALA A 22 22.419 28.989 11.840 1.00 17.02 O ATOM 216 CB ALA A 22 19.913 29.450 13.977 1.00 17.34 C ATOM 217 H ALA A 22 22.904 29.144 14.095 1.00 0.00 H ATOM 218 N LEU A 23 20.534 27.822 11.440 1.00 16.35 N ATOM 219 CA LEU A 23 20.815 27.673 10.058 1.00 15.78 C ATOM 220 C LEU A 23 20.315 28.849 9.251 1.00 16.18 C ATOM 221 O LEU A 23 19.163 29.192 9.440 1.00 16.48 O ATOM 222 CB LEU A 23 20.173 26.363 9.714 1.00 16.85 C ATOM 223 CG LEU A 23 20.244 25.799 8.339 1.00 22.07 C ATOM 224 CD1 LEU A 23 21.649 25.411 8.062 1.00 20.88 C ATOM 225 CD2 LEU A 23 19.496 24.475 8.274 1.00 20.60 C ATOM 226 H LEU A 23 19.682 27.501 11.763 1.00 0.00 H ATOM 227 N LEU A 24 21.036 29.534 8.358 1.00 17.29 N ATOM 228 CA LEU A 24 20.420 30.540 7.505 1.00 16.10 C ATOM 229 C LEU A 24 19.680 29.834 6.391 1.00 14.73 C ATOM 230 O LEU A 24 20.277 29.251 5.469 1.00 15.98 O ATOM 231 CB LEU A 24 21.459 31.496 6.899 1.00 17.00 C ATOM 232 CG LEU A 24 22.331 32.262 7.914 1.00 19.79 C ATOM 233 CD1 LEU A 24 23.282 33.163 7.123 1.00 19.44 C ATOM 234 CD2 LEU A 24 21.470 32.998 8.926 1.00 16.28 C ATOM 235 H LEU A 24 21.985 29.353 8.279 1.00 0.00 H ATOM 236 N ASP A 25 18.373 29.903 6.445 1.00 14.72 N ATOM 237 CA ASP A 25 17.532 29.120 5.530 1.00 14.73 C ATOM 238 C ASP A 25 16.606 29.856 4.522 1.00 12.62 C ATOM 239 O ASP A 25 15.500 30.326 4.814 1.00 12.60 O ATOM 240 CB ASP A 25 16.761 28.213 6.442 1.00 13.65 C ATOM 241 CG ASP A 25 16.007 27.086 5.756 1.00 20.56 C ATOM 242 OD1 ASP A 25 15.938 26.981 4.533 1.00 15.86 O ATOM 243 OD2 ASP A 25 15.437 26.310 6.491 1.00 23.23 O ATOM 244 H ASP A 25 17.940 30.518 7.077 1.00 0.00 H ATOM 245 N THR A 26 17.012 29.925 3.262 1.00 14.62 N ATOM 246 CA THR A 26 16.244 30.615 2.230 1.00 15.49 C ATOM 247 C THR A 26 14.973 29.898 1.841 1.00 14.90 C ATOM 248 O THR A 26 14.067 30.451 1.237 1.00 15.51 O ATOM 249 CB THR A 26 17.128 30.826 1.000 1.00 15.52 C ATOM 250 OG1 THR A 26 17.566 29.586 0.500 1.00 10.98 O ATOM 251 CG2 THR A 26 18.309 31.751 1.397 1.00 11.58 C ATOM 252 H THR A 26 17.873 29.533 3.014 1.00 0.00 H ATOM 253 HG1 THR A 26 18.516 29.589 0.635 1.00 0.00 H ATOM 254 N GLY A 27 14.864 28.659 2.220 1.00 13.35 N ATOM 255 CA GLY A 27 13.709 27.881 1.909 1.00 9.04 C ATOM 256 C GLY A 27 12.751 27.876 3.047 1.00 12.26 C ATOM 257 O GLY A 27 11.752 27.202 2.920 1.00 15.67 O ATOM 258 H GLY A 27 15.534 28.262 2.790 1.00 0.00 H ATOM 259 N ALA A 28 12.918 28.570 4.189 1.00 12.61 N ATOM 260 CA ALA A 28 11.861 28.582 5.228 1.00 11.92 C ATOM 261 C ALA A 28 11.164 29.968 5.185 1.00 15.07 C ATOM 262 O ALA A 28 11.829 31.029 5.217 1.00 13.87 O ATOM 263 CB ALA A 28 12.525 28.391 6.574 1.00 10.33 C ATOM 264 H ALA A 28 13.661 29.197 4.306 1.00 0.00 H ATOM 265 N ASP A 29 9.871 30.052 5.029 1.00 14.74 N ATOM 266 CA ASP A 29 9.263 31.351 5.196 1.00 18.25 C ATOM 267 C ASP A 29 9.444 31.931 6.591 1.00 17.38 C ATOM 268 O ASP A 29 9.559 33.125 6.764 1.00 15.61 O ATOM 269 CB ASP A 29 7.801 31.299 5.016 1.00 18.95 C ATOM 270 CG ASP A 29 7.306 30.997 3.633 1.00 18.46 C ATOM 271 OD1 ASP A 29 8.082 30.737 2.730 1.00 17.76 O ATOM 272 OD2 ASP A 29 6.095 31.027 3.509 1.00 18.56 O ATOM 273 H ASP A 29 9.366 29.278 4.662 1.00 0.00 H ATOM 274 N ASP A 30 9.468 31.037 7.575 1.00 16.65 N ATOM 275 CA ASP A 30 9.399 31.352 8.981 1.00 17.93 C ATOM 276 C ASP A 30 10.669 31.004 9.697 1.00 15.32 C ATOM 277 O ASP A 30 11.503 30.246 9.183 1.00 17.24 O ATOM 278 CB ASP A 30 8.218 30.587 9.589 1.00 18.49 C ATOM 279 CG ASP A 30 6.828 30.895 9.046 1.00 24.59 C ATOM 280 OD1 ASP A 30 6.356 32.046 8.948 1.00 27.49 O ATOM 281 OD2 ASP A 30 6.199 29.920 8.689 1.00 34.48 O ATOM 282 H ASP A 30 9.580 30.096 7.328 1.00 0.00 H ATOM 283 N THR A 31 10.841 31.624 10.862 1.00 16.05 N ATOM 284 CA THR A 31 11.987 31.391 11.729 1.00 15.52 C ATOM 285 C THR A 31 11.405 30.484 12.811 1.00 12.49 C ATOM 286 O THR A 31 10.375 30.780 13.445 1.00 13.98 O ATOM 287 CB THR A 31 12.455 32.730 12.268 1.00 12.73 C ATOM 288 OG1 THR A 31 13.120 33.407 11.206 1.00 15.21 O ATOM 289 CG2 THR A 31 13.346 32.545 13.429 1.00 12.80 C ATOM 290 H THR A 31 10.168 32.270 11.184 1.00 0.00 H ATOM 291 HG1 THR A 31 12.426 33.693 10.608 1.00 0.00 H ATOM 292 N VAL A 32 12.104 29.350 12.980 1.00 14.34 N ATOM 293 CA VAL A 32 11.637 28.280 13.846 1.00 14.01 C ATOM 294 C VAL A 32 12.840 27.837 14.624 1.00 13.25 C ATOM 295 O VAL A 32 13.864 27.386 14.119 1.00 16.32 O ATOM 296 CB VAL A 32 11.083 26.998 13.103 1.00 15.98 C ATOM 297 CG1 VAL A 32 10.309 26.129 14.101 1.00 16.01 C ATOM 298 CG2 VAL A 32 10.146 27.337 12.000 1.00 13.03 C ATOM 299 H VAL A 32 12.952 29.233 12.504 1.00 0.00 H ATOM 300 N LEU A 33 12.638 28.007 15.923 1.00 19.02 N ATOM 301 CA LEU A 33 13.572 27.662 16.992 1.00 17.51 C ATOM 302 C LEU A 33 12.969 26.589 17.929 1.00 17.31 C ATOM 303 O LEU A 33 11.774 26.481 18.201 1.00 18.03 O ATOM 304 CB LEU A 33 13.945 28.928 17.867 1.00 17.59 C ATOM 305 CG LEU A 33 14.469 30.168 17.133 1.00 20.96 C ATOM 306 CD1 LEU A 33 14.996 31.171 18.139 1.00 20.01 C ATOM 307 CD2 LEU A 33 15.683 29.809 16.268 1.00 20.83 C ATOM 308 H LEU A 33 11.762 28.345 16.214 1.00 0.00 H ATOM 309 N GLU A 34 13.934 25.796 18.356 1.00 20.48 N ATOM 310 CA GLU A 34 13.825 24.780 19.364 1.00 24.64 C ATOM 311 C GLU A 34 13.213 25.347 20.646 1.00 25.15 C ATOM 312 O GLU A 34 13.224 26.566 20.877 1.00 29.05 O ATOM 313 CB GLU A 34 15.198 24.245 19.666 1.00 28.01 C ATOM 314 CG GLU A 34 16.026 25.356 20.305 1.00 41.98 C ATOM 315 CD GLU A 34 17.174 24.856 21.127 1.00 48.34 C ATOM 316 OE1 GLU A 34 17.728 23.791 20.822 1.00 52.96 O ATOM 317 OE2 GLU A 34 17.476 25.553 22.092 1.00 53.00 O ATOM 318 H GLU A 34 14.822 25.952 17.968 1.00 0.00 H ATOM 319 N GLU A 35 12.654 24.473 21.476 1.00 25.38 N ATOM 320 CA GLU A 35 12.082 24.882 22.734 1.00 27.61 C ATOM 321 C GLU A 35 12.989 25.737 23.630 1.00 26.90 C ATOM 322 O GLU A 35 14.115 25.417 24.041 1.00 26.94 O ATOM 323 CB GLU A 35 11.638 23.636 23.467 1.00 30.43 C ATOM 324 CG GLU A 35 10.332 23.059 23.034 1.00 35.38 C ATOM 325 CD GLU A 35 9.114 23.925 23.269 1.00 40.24 C ATOM 326 OE1 GLU A 35 9.170 24.916 23.987 1.00 43.66 O ATOM 327 OE2 GLU A 35 8.064 23.594 22.722 1.00 49.70 O ATOM 328 H GLU A 35 12.640 23.538 21.245 1.00 0.00 H ATOM 329 N MET A 36 12.429 26.901 23.894 1.00 29.35 N ATOM 330 CA MET A 36 13.126 27.882 24.710 1.00 31.21 C ATOM 331 C MET A 36 12.051 28.758 25.276 1.00 32.40 C ATOM 332 O MET A 36 10.880 28.783 24.880 1.00 29.99 O ATOM 333 CB MET A 36 14.075 28.758 23.899 1.00 29.12 C ATOM 334 CG MET A 36 13.440 29.710 22.895 1.00 25.75 C ATOM 335 SD MET A 36 14.864 30.494 22.166 1.00 34.27 S ATOM 336 CE MET A 36 15.481 31.492 23.496 1.00 32.05 C ATOM 337 H MET A 36 11.540 27.124 23.555 1.00 0.00 H ATOM 338 N ASN A 37 12.521 29.433 26.290 1.00 36.94 N ATOM 339 CA ASN A 37 11.663 30.349 27.018 1.00 43.31 C ATOM 340 C ASN A 37 11.708 31.747 26.396 1.00 39.75 C ATOM 341 O ASN A 37 12.799 32.281 26.161 1.00 41.72 O ATOM 342 CB ASN A 37 12.138 30.360 28.482 1.00 52.65 C ATOM 343 CG ASN A 37 11.350 31.401 29.287 1.00 62.90 C ATOM 344 OD1 ASN A 37 10.104 31.423 29.241 1.00 67.99 O ATOM 345 ND2 ASN A 37 12.053 32.342 29.965 1.00 66.25 N ATOM 346 H ASN A 37 13.474 29.435 26.492 1.00 0.00 H ATOM 347 1HD2 ASN A 37 11.538 32.892 30.588 1.00 0.00 H ATOM 348 2HD2 ASN A 37 13.023 32.401 29.845 1.00 0.00 H ATOM 349 N LEU A 38 10.571 32.325 26.090 1.00 37.51 N ATOM 350 CA LEU A 38 10.554 33.631 25.506 1.00 37.11 C ATOM 351 C LEU A 38 9.446 34.264 26.261 1.00 39.93 C ATOM 352 O LEU A 38 8.480 33.649 26.728 1.00 40.61 O ATOM 353 CB LEU A 38 10.209 33.675 24.018 1.00 32.28 C ATOM 354 CG LEU A 38 11.371 33.349 23.092 1.00 33.70 C ATOM 355 CD1 LEU A 38 10.907 33.435 21.649 1.00 29.56 C ATOM 356 CD2 LEU A 38 12.534 34.295 23.374 1.00 33.77 C ATOM 357 H LEU A 38 9.704 31.949 26.375 1.00 0.00 H ATOM 358 N PRO A 39 9.652 35.547 26.464 1.00 44.17 N ATOM 359 CA PRO A 39 8.653 36.388 27.078 1.00 44.64 C ATOM 360 C PRO A 39 7.566 36.804 26.123 1.00 42.94 C ATOM 361 O PRO A 39 7.862 37.102 24.983 1.00 44.56 O ATOM 362 CB PRO A 39 9.491 37.526 27.619 1.00 46.74 C ATOM 363 CG PRO A 39 10.517 37.727 26.543 1.00 47.25 C ATOM 364 CD PRO A 39 10.913 36.273 26.297 1.00 48.27 C ATOM 365 N GLY A 40 6.336 36.871 26.564 1.00 44.68 N ATOM 366 CA GLY A 40 5.299 37.461 25.763 1.00 44.99 C ATOM 367 C GLY A 40 4.091 36.581 25.840 1.00 45.40 C ATOM 368 O GLY A 40 3.934 35.602 26.581 1.00 47.97 O ATOM 369 H GLY A 40 6.074 36.391 27.374 1.00 0.00 H ATOM 370 N ARG A 41 3.176 37.066 25.066 1.00 46.66 N ATOM 371 CA ARG A 41 2.006 36.270 24.818 1.00 49.57 C ATOM 372 C ARG A 41 2.451 35.634 23.506 1.00 43.73 C ATOM 373 O ARG A 41 3.331 36.092 22.756 1.00 43.20 O ATOM 374 CB ARG A 41 0.758 37.142 24.630 1.00 61.74 C ATOM 375 CG ARG A 41 1.086 38.573 24.181 1.00 80.81 C ATOM 376 CD ARG A 41 -0.089 39.466 23.741 1.00 97.74 C ATOM 377 NE ARG A 41 -1.059 39.937 24.743 1.00112.02 N ATOM 378 CZ ARG A 41 -0.973 41.126 25.395 1.00118.13 C ATOM 379 NH1 ARG A 41 0.033 42.009 25.210 1.00119.87 N ATOM 380 NH2 ARG A 41 -1.983 41.474 26.207 1.00121.41 N ATOM 381 H ARG A 41 3.408 37.816 24.473 1.00 0.00 H ATOM 382 HE ARG A 41 -1.825 39.358 24.931 1.00 0.00 H ATOM 383 1HH1 ARG A 41 0.781 41.803 24.578 1.00 0.00 H ATOM 384 2HH1 ARG A 41 0.052 42.863 25.732 1.00 0.00 H ATOM 385 1HH2 ARG A 41 -2.762 40.858 26.310 1.00 0.00 H ATOM 386 2HH2 ARG A 41 -1.953 42.339 26.707 1.00 0.00 H ATOM 387 N TRP A 42 1.914 34.482 23.309 1.00 38.15 N ATOM 388 CA TRP A 42 2.156 33.810 22.076 1.00 36.03 C ATOM 389 C TRP A 42 0.839 33.215 21.696 1.00 34.06 C ATOM 390 O TRP A 42 -0.075 33.156 22.519 1.00 33.72 O ATOM 391 CB TRP A 42 3.181 32.753 22.269 1.00 34.95 C ATOM 392 CG TRP A 42 2.837 31.926 23.452 1.00 39.76 C ATOM 393 CD1 TRP A 42 3.322 32.237 24.692 1.00 44.42 C ATOM 394 CD2 TRP A 42 2.067 30.816 23.399 1.00 40.91 C ATOM 395 NE1 TRP A 42 2.859 31.293 25.447 1.00 46.36 N ATOM 396 CE2 TRP A 42 2.112 30.433 24.733 1.00 42.17 C ATOM 397 CE3 TRP A 42 1.353 30.091 22.440 1.00 40.32 C ATOM 398 CZ2 TRP A 42 1.440 29.282 25.127 1.00 41.68 C ATOM 399 CZ3 TRP A 42 0.678 28.935 22.826 1.00 40.35 C ATOM 400 CH2 TRP A 42 0.720 28.542 24.170 1.00 42.59 C ATOM 401 H TRP A 42 1.344 34.042 23.971 1.00 0.00 H ATOM 402 HE1 TRP A 42 3.142 31.188 26.380 1.00 0.00 H ATOM 403 N LYS A 43 0.813 32.742 20.459 1.00 32.65 N ATOM 404 CA LYS A 43 -0.347 32.174 19.755 1.00 31.69 C ATOM 405 C LYS A 43 0.050 30.782 19.269 1.00 28.18 C ATOM 406 O LYS A 43 1.221 30.611 18.913 1.00 27.30 O ATOM 407 CB LYS A 43 -0.766 32.928 18.473 1.00 34.91 C ATOM 408 CG LYS A 43 -1.507 34.268 18.524 1.00 48.53 C ATOM 409 CD LYS A 43 -2.206 34.620 17.193 1.00 56.70 C ATOM 410 CE LYS A 43 -1.319 35.158 16.062 1.00 65.33 C ATOM 411 NZ LYS A 43 -1.268 36.601 16.101 1.00 69.74 N ATOM 412 H LYS A 43 1.651 32.802 19.949 1.00 0.00 H ATOM 413 1HZ LYS A 43 -2.253 36.966 16.058 1.00 0.00 H ATOM 414 2HZ LYS A 43 -0.820 36.886 17.005 1.00 0.00 H ATOM 415 3HZ LYS A 43 -0.728 36.973 15.286 1.00 0.00 H ATOM 416 N PRO A 44 -0.816 29.772 19.263 1.00 24.92 N ATOM 417 CA PRO A 44 -0.514 28.536 18.602 1.00 21.88 C ATOM 418 C PRO A 44 -0.617 28.727 17.093 1.00 20.12 C ATOM 419 O PRO A 44 -1.437 29.518 16.589 1.00 22.15 O ATOM 420 CB PRO A 44 -1.515 27.604 19.226 1.00 23.62 C ATOM 421 CG PRO A 44 -2.750 28.462 19.436 1.00 23.27 C ATOM 422 CD PRO A 44 -2.079 29.697 20.004 1.00 24.20 C ATOM 423 N LYS A 45 0.251 27.948 16.433 1.00 17.90 N ATOM 424 CA LYS A 45 0.379 27.918 15.024 1.00 18.81 C ATOM 425 C LYS A 45 0.798 26.506 14.677 1.00 18.44 C ATOM 426 O LYS A 45 1.423 25.844 15.509 1.00 21.04 O ATOM 427 CB LYS A 45 1.462 28.865 14.586 1.00 18.47 C ATOM 428 CG LYS A 45 1.356 29.031 13.082 1.00 23.24 C ATOM 429 CD LYS A 45 2.325 30.084 12.581 1.00 30.77 C ATOM 430 CE LYS A 45 2.121 30.325 11.076 1.00 40.48 C ATOM 431 NZ LYS A 45 1.446 31.590 10.734 1.00 46.08 N ATOM 432 H LYS A 45 0.871 27.366 16.934 1.00 0.00 H ATOM 433 1HZ LYS A 45 0.505 31.672 11.165 1.00 0.00 H ATOM 434 2HZ LYS A 45 2.048 32.373 11.054 1.00 0.00 H ATOM 435 3HZ LYS A 45 1.355 31.632 9.698 1.00 0.00 H ATOM 436 N MET A 46 0.494 26.094 13.430 1.00 20.30 N ATOM 437 CA MET A 46 0.882 24.844 12.810 1.00 18.57 C ATOM 438 C MET A 46 1.673 25.238 11.561 1.00 15.49 C ATOM 439 O MET A 46 1.175 26.026 10.768 1.00 16.77 O ATOM 440 CB MET A 46 -0.301 24.090 12.314 1.00 21.62 C ATOM 441 CG MET A 46 -1.265 23.719 13.387 1.00 26.37 C ATOM 442 SD MET A 46 -0.653 22.396 14.409 1.00 33.04 S ATOM 443 CE MET A 46 -1.538 21.198 13.489 1.00 36.24 C ATOM 444 H MET A 46 0.077 26.721 12.805 1.00 0.00 H ATOM 445 N ILE A 47 2.886 24.696 11.363 1.00 15.27 N ATOM 446 CA ILE A 47 3.747 24.929 10.216 1.00 15.15 C ATOM 447 C ILE A 47 4.032 23.555 9.669 1.00 16.13 C ATOM 448 O ILE A 47 4.167 22.626 10.461 1.00 14.46 O ATOM 449 CB ILE A 47 5.143 25.527 10.538 1.00 15.65 C ATOM 450 CG1 ILE A 47 5.720 24.960 11.754 1.00 13.75 C ATOM 451 CG2 ILE A 47 4.992 26.958 10.768 1.00 16.58 C ATOM 452 CD1 ILE A 47 7.105 25.484 11.947 1.00 21.69 C ATOM 453 H ILE A 47 3.205 24.033 12.026 1.00 0.00 H ATOM 454 N GLY A 48 4.216 23.404 8.373 1.00 16.81 N ATOM 455 CA GLY A 48 4.527 22.121 7.818 1.00 14.85 C ATOM 456 C GLY A 48 5.629 22.281 6.835 1.00 16.00 C ATOM 457 O GLY A 48 6.052 23.376 6.510 1.00 18.15 O ATOM 458 H GLY A 48 4.259 24.189 7.783 1.00 0.00 H ATOM 459 N GLY A 49 6.102 21.117 6.411 1.00 17.04 N ATOM 460 CA GLY A 49 7.143 21.049 5.399 1.00 17.33 C ATOM 461 C GLY A 49 7.297 19.595 5.057 1.00 15.13 C ATOM 462 O GLY A 49 6.305 18.882 5.092 1.00 16.20 O ATOM 463 H GLY A 49 5.784 20.268 6.787 1.00 0.00 H ATOM 464 N ILE A 50 8.507 19.135 4.784 1.00 16.29 N ATOM 465 CA ILE A 50 8.764 17.731 4.562 1.00 17.54 C ATOM 466 C ILE A 50 8.553 16.992 5.874 1.00 17.86 C ATOM 467 O ILE A 50 8.986 17.358 6.980 1.00 17.78 O ATOM 468 CB ILE A 50 10.176 17.520 4.041 1.00 16.58 C ATOM 469 CG1 ILE A 50 10.037 17.850 2.554 1.00 16.15 C ATOM 470 CG2 ILE A 50 10.751 16.091 4.261 1.00 18.97 C ATOM 471 CD1 ILE A 50 11.318 17.885 1.815 1.00 14.64 C ATOM 472 H ILE A 50 9.247 19.790 4.734 1.00 0.00 H ATOM 473 N GLY A 51 7.749 15.951 5.738 1.00 20.70 N ATOM 474 CA GLY A 51 7.520 15.097 6.906 1.00 18.49 C ATOM 475 C GLY A 51 6.208 15.478 7.563 1.00 21.36 C ATOM 476 O GLY A 51 5.742 14.703 8.406 1.00 25.99 O ATOM 477 H GLY A 51 7.392 15.686 4.852 1.00 0.00 H ATOM 478 N GLY A 52 5.524 16.559 7.203 1.00 21.00 N ATOM 479 CA GLY A 52 4.285 16.903 7.886 1.00 19.90 C ATOM 480 C GLY A 52 4.392 18.177 8.716 1.00 21.04 C ATOM 481 O GLY A 52 5.376 18.919 8.619 1.00 20.44 O ATOM 482 H GLY A 52 5.859 17.132 6.487 1.00 0.00 H ATOM 483 N PHE A 53 3.351 18.388 9.506 1.00 20.08 N ATOM 484 CA PHE A 53 3.151 19.633 10.256 1.00 22.20 C ATOM 485 C PHE A 53 3.501 19.496 11.724 1.00 21.69 C ATOM 486 O PHE A 53 3.424 18.355 12.226 1.00 25.16 O ATOM 487 CB PHE A 53 1.663 20.106 10.106 1.00 19.04 C ATOM 488 CG PHE A 53 1.415 20.726 8.763 1.00 18.58 C ATOM 489 CD1 PHE A 53 1.543 19.956 7.609 1.00 18.34 C ATOM 490 CD2 PHE A 53 1.111 22.085 8.708 1.00 21.10 C ATOM 491 CE1 PHE A 53 1.363 20.548 6.373 1.00 16.54 C ATOM 492 CE2 PHE A 53 0.932 22.673 7.456 1.00 21.23 C ATOM 493 CZ PHE A 53 1.051 21.907 6.283 1.00 24.08 C ATOM 494 H PHE A 53 2.761 17.629 9.719 1.00 0.00 H ATOM 495 N ILE A 54 3.939 20.570 12.395 1.00 17.97 N ATOM 496 CA ILE A 54 4.239 20.571 13.817 1.00 17.76 C ATOM 497 C ILE A 54 3.582 21.778 14.455 1.00 19.15 C ATOM 498 O ILE A 54 3.366 22.755 13.755 1.00 20.82 O ATOM 499 CB ILE A 54 5.793 20.615 14.172 1.00 15.89 C ATOM 500 CG1 ILE A 54 6.532 21.792 13.568 1.00 13.51 C ATOM 501 CG2 ILE A 54 6.389 19.264 13.743 1.00 14.90 C ATOM 502 CD1 ILE A 54 7.933 21.976 14.225 1.00 11.43 C ATOM 503 H ILE A 54 4.051 21.420 11.929 1.00 0.00 H ATOM 504 N LYS A 55 3.249 21.781 15.750 1.00 18.55 N ATOM 505 CA LYS A 55 2.619 22.911 16.404 1.00 19.64 C ATOM 506 C LYS A 55 3.732 23.634 17.152 1.00 19.64 C ATOM 507 O LYS A 55 4.651 23.082 17.776 1.00 18.07 O ATOM 508 CB LYS A 55 1.581 22.455 17.390 1.00 24.29 C ATOM 509 CG LYS A 55 0.538 23.507 17.772 1.00 30.71 C ATOM 510 CD LYS A 55 -0.060 22.904 19.024 1.00 37.99 C ATOM 511 CE LYS A 55 -1.261 23.650 19.616 1.00 42.16 C ATOM 512 NZ LYS A 55 -2.561 23.333 19.025 1.00 46.54 N ATOM 513 H LYS A 55 3.488 21.024 16.291 1.00 0.00 H ATOM 514 1HZ LYS A 55 -2.802 22.331 19.148 1.00 0.00 H ATOM 515 2HZ LYS A 55 -3.267 23.922 19.515 1.00 0.00 H ATOM 516 3HZ LYS A 55 -2.554 23.596 18.017 1.00 0.00 H ATOM 517 N VAL A 56 3.660 24.934 16.938 1.00 18.78 N ATOM 518 CA VAL A 56 4.639 25.834 17.481 1.00 17.08 C ATOM 519 C VAL A 56 3.923 26.934 18.229 1.00 16.06 C ATOM 520 O VAL A 56 2.698 27.115 18.151 1.00 17.65 O ATOM 521 CB VAL A 56 5.483 26.392 16.346 1.00 17.35 C ATOM 522 CG1 VAL A 56 6.308 25.257 15.808 1.00 14.84 C ATOM 523 CG2 VAL A 56 4.651 26.969 15.230 1.00 16.82 C ATOM 524 H VAL A 56 2.889 25.312 16.482 1.00 0.00 H ATOM 525 N ARG A 57 4.709 27.625 19.037 1.00 16.74 N ATOM 526 CA ARG A 57 4.180 28.810 19.708 1.00 17.87 C ATOM 527 C ARG A 57 4.714 30.004 18.955 1.00 18.06 C ATOM 528 O ARG A 57 5.919 30.090 18.699 1.00 20.15 O ATOM 529 CB ARG A 57 4.650 28.871 21.149 1.00 15.27 C ATOM 530 CG ARG A 57 4.132 27.604 21.867 1.00 18.95 C ATOM 531 CD ARG A 57 4.343 27.667 23.376 1.00 22.35 C ATOM 532 NE ARG A 57 5.668 28.172 23.737 1.00 31.19 N ATOM 533 CZ ARG A 57 6.764 27.391 23.786 1.00 37.62 C ATOM 534 NH1 ARG A 57 6.651 26.094 23.492 1.00 40.48 N ATOM 535 NH2 ARG A 57 7.956 27.930 24.101 1.00 37.71 N ATOM 536 H ARG A 57 5.640 27.354 19.171 1.00 0.00 H ATOM 537 HE ARG A 57 5.769 29.130 23.917 1.00 0.00 H ATOM 538 1HH1 ARG A 57 5.761 25.706 23.259 1.00 0.00 H ATOM 539 2HH1 ARG A 57 7.450 25.511 23.524 1.00 0.00 H ATOM 540 1HH2 ARG A 57 8.021 28.914 24.265 1.00 0.00 H ATOM 541 2HH2 ARG A 57 8.779 27.360 24.109 1.00 0.00 H ATOM 542 N GLN A 58 3.833 30.872 18.517 1.00 17.05 N ATOM 543 CA GLN A 58 4.202 32.068 17.775 1.00 17.09 C ATOM 544 C GLN A 58 4.452 33.237 18.685 1.00 14.92 C ATOM 545 O GLN A 58 3.497 33.618 19.363 1.00 17.89 O ATOM 546 CB GLN A 58 3.100 32.440 16.862 1.00 18.04 C ATOM 547 CG GLN A 58 3.412 33.622 16.043 1.00 17.63 C ATOM 548 CD GLN A 58 2.238 33.951 15.168 1.00 22.74 C ATOM 549 OE1 GLN A 58 1.291 33.217 14.908 1.00 28.29 O ATOM 550 NE2 GLN A 58 2.213 35.156 14.673 1.00 24.42 N ATOM 551 H GLN A 58 2.912 30.669 18.637 1.00 0.00 H ATOM 552 1HE2 GLN A 58 1.467 35.363 14.074 1.00 0.00 H ATOM 553 2HE2 GLN A 58 2.931 35.775 14.887 1.00 0.00 H ATOM 554 N TYR A 59 5.628 33.823 18.737 1.00 15.88 N ATOM 555 CA TYR A 59 5.815 35.006 19.514 1.00 19.23 C ATOM 556 C TYR A 59 6.113 36.125 18.569 1.00 20.70 C ATOM 557 O TYR A 59 7.044 36.044 17.768 1.00 21.19 O ATOM 558 CB TYR A 59 6.967 34.851 20.435 1.00 18.22 C ATOM 559 CG TYR A 59 6.816 33.890 21.605 1.00 23.25 C ATOM 560 CD1 TYR A 59 7.146 32.531 21.491 1.00 23.15 C ATOM 561 CD2 TYR A 59 6.434 34.422 22.837 1.00 24.26 C ATOM 562 CE1 TYR A 59 7.107 31.705 22.631 1.00 29.39 C ATOM 563 CE2 TYR A 59 6.379 33.608 23.971 1.00 29.95 C ATOM 564 CZ TYR A 59 6.731 32.266 23.858 1.00 28.75 C ATOM 565 OH TYR A 59 6.702 31.511 24.994 1.00 31.16 O ATOM 566 H TYR A 59 6.381 33.471 18.217 1.00 0.00 H ATOM 567 HH TYR A 59 6.887 30.593 24.790 1.00 0.00 H ATOM 568 N ASP A 60 5.418 37.246 18.656 1.00 24.49 N ATOM 569 CA ASP A 60 5.716 38.344 17.759 1.00 25.50 C ATOM 570 C ASP A 60 6.701 39.390 18.337 1.00 26.40 C ATOM 571 O ASP A 60 6.977 39.428 19.544 1.00 28.39 O ATOM 572 CB ASP A 60 4.410 39.011 17.376 1.00 28.35 C ATOM 573 CG ASP A 60 3.357 38.087 16.775 1.00 29.73 C ATOM 574 OD1 ASP A 60 3.641 37.401 15.811 1.00 28.13 O ATOM 575 OD2 ASP A 60 2.235 38.067 17.261 1.00 35.72 O ATOM 576 H ASP A 60 4.777 37.357 19.400 1.00 0.00 H ATOM 577 N GLN A 61 7.293 40.209 17.467 1.00 26.35 N ATOM 578 CA GLN A 61 8.303 41.248 17.757 1.00 28.20 C ATOM 579 C GLN A 61 9.513 40.855 18.623 1.00 26.11 C ATOM 580 O GLN A 61 9.880 41.518 19.600 1.00 28.86 O ATOM 581 CB GLN A 61 7.594 42.479 18.377 1.00 37.87 C ATOM 582 CG GLN A 61 6.694 43.339 17.437 1.00 46.64 C ATOM 583 CD GLN A 61 5.694 44.216 18.212 1.00 53.80 C ATOM 584 OE1 GLN A 61 4.473 44.185 17.991 1.00 57.26 O ATOM 585 NE2 GLN A 61 6.174 44.996 19.197 1.00 57.08 N ATOM 586 H GLN A 61 7.042 40.110 16.533 1.00 0.00 H ATOM 587 1HE2 GLN A 61 5.555 45.579 19.681 1.00 0.00 H ATOM 588 2HE2 GLN A 61 7.130 44.946 19.400 1.00 0.00 H ATOM 589 N ILE A 62 10.217 39.780 18.270 1.00 23.07 N ATOM 590 CA ILE A 62 11.306 39.314 19.065 1.00 20.70 C ATOM 591 C ILE A 62 12.463 39.898 18.342 1.00 20.84 C ATOM 592 O ILE A 62 12.529 39.901 17.117 1.00 24.07 O ATOM 593 CB ILE A 62 11.298 37.792 19.037 1.00 21.77 C ATOM 594 CG1 ILE A 62 10.052 37.299 19.693 1.00 18.59 C ATOM 595 CG2 ILE A 62 12.520 37.240 19.712 1.00 21.56 C ATOM 596 CD1 ILE A 62 9.940 37.558 21.177 1.00 21.49 C ATOM 597 H ILE A 62 10.069 39.343 17.402 1.00 0.00 H ATOM 598 N LEU A 63 13.417 40.319 19.149 1.00 23.08 N ATOM 599 CA LEU A 63 14.629 40.912 18.682 1.00 22.39 C ATOM 600 C LEU A 63 15.634 39.798 18.630 1.00 22.31 C ATOM 601 O LEU A 63 15.863 39.116 19.631 1.00 25.21 O ATOM 602 CB LEU A 63 15.134 41.992 19.632 1.00 26.00 C ATOM 603 CG LEU A 63 16.517 42.478 19.213 1.00 32.84 C ATOM 604 CD1 LEU A 63 16.369 43.867 18.727 1.00 34.89 C ATOM 605 CD2 LEU A 63 17.522 42.420 20.347 1.00 29.97 C ATOM 606 H LEU A 63 13.384 40.116 20.097 1.00 0.00 H ATOM 607 N ILE A 64 16.250 39.625 17.496 1.00 21.82 N ATOM 608 CA ILE A 64 17.261 38.636 17.443 1.00 26.71 C ATOM 609 C ILE A 64 18.510 39.316 16.953 1.00 23.96 C ATOM 610 O ILE A 64 18.432 40.200 16.125 1.00 27.93 O ATOM 611 CB ILE A 64 16.903 37.465 16.470 1.00 28.34 C ATOM 612 CG1 ILE A 64 15.751 36.653 16.985 1.00 35.13 C ATOM 613 CG2 ILE A 64 18.054 36.492 16.392 1.00 27.51 C ATOM 614 CD1 ILE A 64 15.655 35.293 16.197 1.00 37.81 C ATOM 615 H ILE A 64 16.119 40.202 16.719 1.00 0.00 H ATOM 616 N GLU A 65 19.668 38.866 17.336 1.00 22.87 N ATOM 617 CA GLU A 65 20.824 39.445 16.815 1.00 26.42 C ATOM 618 C GLU A 65 21.367 38.404 15.901 1.00 26.70 C ATOM 619 O GLU A 65 21.559 37.328 16.445 1.00 25.52 O ATOM 620 CB GLU A 65 21.637 39.716 18.013 1.00 33.47 C ATOM 621 CG GLU A 65 22.807 40.551 17.639 1.00 44.85 C ATOM 622 CD GLU A 65 23.525 41.125 18.856 1.00 53.60 C ATOM 623 OE1 GLU A 65 22.914 41.952 19.574 1.00 54.93 O ATOM 624 OE2 GLU A 65 24.689 40.716 19.060 1.00 57.10 O ATOM 625 H GLU A 65 19.747 38.098 17.929 1.00 0.00 H ATOM 626 N ILE A 66 21.636 38.548 14.611 1.00 26.61 N ATOM 627 CA ILE A 66 22.141 37.458 13.787 1.00 32.09 C ATOM 628 C ILE A 66 23.549 37.870 13.395 1.00 32.92 C ATOM 629 O ILE A 66 23.667 38.769 12.573 1.00 32.94 O ATOM 630 CB ILE A 66 21.190 37.268 12.525 1.00 32.24 C ATOM 631 CG1 ILE A 66 19.774 36.981 12.943 1.00 30.40 C ATOM 632 CG2 ILE A 66 21.690 36.127 11.666 1.00 29.04 C ATOM 633 CD1 ILE A 66 18.739 37.497 11.964 1.00 35.76 C ATOM 634 H ILE A 66 21.347 39.340 14.142 1.00 0.00 H ATOM 635 N CYS A 67 24.655 37.346 13.936 1.00 35.80 N ATOM 636 CA CYS A 67 25.990 37.802 13.583 1.00 41.22 C ATOM 637 C CYS A 67 26.208 39.288 13.743 1.00 41.84 C ATOM 638 O CYS A 67 26.664 39.991 12.821 1.00 43.83 O ATOM 639 CB CYS A 67 26.326 37.487 12.143 1.00 44.60 C ATOM 640 SG CYS A 67 26.737 35.769 12.007 1.00 50.05 S ATOM 641 H CYS A 67 24.541 36.561 14.516 1.00 0.00 H ATOM 642 N GLY A 68 25.772 39.820 14.885 1.00 42.18 N ATOM 643 CA GLY A 68 25.903 41.263 15.119 1.00 40.96 C ATOM 644 C GLY A 68 24.800 42.120 14.477 1.00 43.04 C ATOM 645 O GLY A 68 24.623 43.299 14.805 1.00 44.66 O ATOM 646 H GLY A 68 25.319 39.259 15.548 1.00 0.00 H ATOM 647 N HIS A 69 23.984 41.584 13.560 1.00 41.71 N ATOM 648 CA HIS A 69 22.988 42.412 12.923 1.00 41.25 C ATOM 649 C HIS A 69 21.702 42.208 13.712 1.00 39.86 C ATOM 650 O HIS A 69 21.323 41.091 14.058 1.00 36.57 O ATOM 651 CB HIS A 69 22.832 42.002 11.463 1.00 42.84 C ATOM 652 CG HIS A 69 24.104 42.100 10.629 1.00 46.63 C ATOM 653 ND1 HIS A 69 25.372 41.695 10.861 1.00 50.08 N ATOM 654 CD2 HIS A 69 24.105 42.677 9.383 1.00 47.49 C ATOM 655 CE1 HIS A 69 26.106 42.018 9.806 1.00 50.51 C ATOM 656 NE2 HIS A 69 25.315 42.595 8.925 1.00 51.13 N ATOM 657 H HIS A 69 23.942 40.621 13.369 1.00 0.00 H ATOM 658 HD1 HIS A 69 25.655 41.076 11.567 1.00 0.00 H ATOM 659 HE2 HIS A 69 25.527 42.820 7.988 1.00 0.00 H ATOM 660 N LYS A 70 21.067 43.318 14.062 1.00 38.94 N ATOM 661 CA LYS A 70 19.876 43.277 14.849 1.00 39.15 C ATOM 662 C LYS A 70 18.753 43.139 13.845 1.00 37.37 C ATOM 663 O LYS A 70 18.817 43.798 12.778 1.00 37.24 O ATOM 664 CB LYS A 70 19.799 44.555 15.658 1.00 41.15 C ATOM 665 CG LYS A 70 20.633 44.337 16.895 1.00 45.25 C ATOM 666 CD LYS A 70 20.057 45.149 18.047 1.00 54.43 C ATOM 667 CE LYS A 70 20.649 46.580 18.250 1.00 60.96 C ATOM 668 NZ LYS A 70 19.882 47.354 19.244 1.00 64.53 N ATOM 669 H LYS A 70 21.354 44.188 13.725 1.00 0.00 H ATOM 670 1HZ LYS A 70 19.639 46.727 20.046 1.00 0.00 H ATOM 671 2HZ LYS A 70 20.427 48.156 19.628 1.00 0.00 H ATOM 672 3HZ LYS A 70 18.986 47.681 18.824 1.00 0.00 H ATOM 673 N ALA A 71 17.797 42.234 14.221 1.00 34.42 N ATOM 674 CA ALA A 71 16.571 41.877 13.466 1.00 30.04 C ATOM 675 C ALA A 71 15.323 41.847 14.351 1.00 26.75 C ATOM 676 O ALA A 71 15.454 41.405 15.484 1.00 30.10 O ATOM 677 CB ALA A 71 16.736 40.471 12.812 1.00 32.79 C ATOM 678 H ALA A 71 17.884 41.786 15.091 1.00 0.00 H ATOM 679 N ILE A 72 14.122 42.303 14.003 1.00 25.18 N ATOM 680 CA ILE A 72 12.935 42.166 14.824 1.00 25.98 C ATOM 681 C ILE A 72 11.973 41.344 13.938 1.00 22.53 C ATOM 682 O ILE A 72 11.919 41.567 12.729 1.00 22.76 O ATOM 683 CB ILE A 72 12.193 43.567 15.238 1.00 27.08 C ATOM 684 CG1 ILE A 72 12.402 43.885 16.682 1.00 29.89 C ATOM 685 CG2 ILE A 72 10.696 43.461 15.510 1.00 29.04 C ATOM 686 CD1 ILE A 72 13.683 44.654 16.957 1.00 32.58 C ATOM 687 H ILE A 72 13.986 42.631 13.099 1.00 0.00 H ATOM 688 N GLY A 73 11.224 40.364 14.466 1.00 23.21 N ATOM 689 CA GLY A 73 10.203 39.684 13.681 1.00 21.48 C ATOM 690 C GLY A 73 9.640 38.585 14.513 1.00 18.76 C ATOM 691 O GLY A 73 9.980 38.477 15.696 1.00 19.24 O ATOM 692 H GLY A 73 11.442 40.006 15.360 1.00 0.00 H ATOM 693 N THR A 74 8.688 37.897 13.903 1.00 19.69 N ATOM 694 CA THR A 74 8.069 36.719 14.503 1.00 20.19 C ATOM 695 C THR A 74 9.081 35.565 14.596 1.00 21.21 C ATOM 696 O THR A 74 9.869 35.316 13.682 1.00 21.99 O ATOM 697 CB THR A 74 6.824 36.343 13.625 1.00 19.23 C ATOM 698 OG1 THR A 74 6.063 37.539 13.581 1.00 22.67 O ATOM 699 CG2 THR A 74 5.877 35.257 14.162 1.00 16.68 C ATOM 700 H THR A 74 8.393 38.140 13.000 1.00 0.00 H ATOM 701 HG1 THR A 74 5.680 37.714 14.444 1.00 0.00 H ATOM 702 N VAL A 75 9.069 34.871 15.711 1.00 19.96 N ATOM 703 CA VAL A 75 9.882 33.720 15.945 1.00 20.35 C ATOM 704 C VAL A 75 8.871 32.691 16.389 1.00 16.92 C ATOM 705 O VAL A 75 7.945 33.007 17.116 1.00 18.56 O ATOM 706 CB VAL A 75 10.894 34.049 17.022 1.00 19.54 C ATOM 707 CG1 VAL A 75 11.454 32.853 17.755 1.00 22.13 C ATOM 708 CG2 VAL A 75 12.057 34.714 16.293 1.00 17.34 C ATOM 709 H VAL A 75 8.443 35.123 16.428 1.00 0.00 H ATOM 710 N LEU A 76 8.935 31.470 15.868 1.00 19.53 N ATOM 711 CA LEU A 76 8.064 30.352 16.260 1.00 18.50 C ATOM 712 C LEU A 76 8.931 29.414 17.048 1.00 15.66 C ATOM 713 O LEU A 76 10.104 29.243 16.712 1.00 17.13 O ATOM 714 CB LEU A 76 7.534 29.630 15.033 1.00 15.56 C ATOM 715 CG LEU A 76 6.906 30.500 13.943 1.00 15.20 C ATOM 716 CD1 LEU A 76 6.492 29.520 12.839 1.00 14.73 C ATOM 717 CD2 LEU A 76 5.687 31.282 14.405 1.00 14.18 C ATOM 718 H LEU A 76 9.626 31.263 15.203 1.00 0.00 H ATOM 719 N VAL A 77 8.424 28.840 18.109 1.00 18.73 N ATOM 720 CA VAL A 77 9.256 27.987 18.987 1.00 19.79 C ATOM 721 C VAL A 77 8.586 26.622 19.103 1.00 19.95 C ATOM 722 O VAL A 77 7.348 26.482 19.353 1.00 19.91 O ATOM 723 CB VAL A 77 9.362 28.680 20.356 1.00 18.12 C ATOM 724 CG1 VAL A 77 9.942 27.766 21.388 1.00 17.86 C ATOM 725 CG2 VAL A 77 10.342 29.853 20.202 1.00 18.49 C ATOM 726 H VAL A 77 7.491 29.020 18.353 1.00 0.00 H ATOM 727 N GLY A 78 9.386 25.578 18.936 1.00 20.84 N ATOM 728 CA GLY A 78 8.738 24.285 19.009 1.00 19.49 C ATOM 729 C GLY A 78 9.657 23.189 18.569 1.00 20.96 C ATOM 730 O GLY A 78 10.861 23.443 18.469 1.00 18.89 O ATOM 731 H GLY A 78 10.350 25.640 18.834 1.00 0.00 H ATOM 732 N PRO A 79 9.141 21.968 18.371 1.00 22.45 N ATOM 733 CA PRO A 79 9.971 20.794 18.251 1.00 24.63 C ATOM 734 C PRO A 79 10.643 20.757 16.907 1.00 24.22 C ATOM 735 O PRO A 79 10.573 19.771 16.204 1.00 26.56 O ATOM 736 CB PRO A 79 9.026 19.646 18.517 1.00 23.48 C ATOM 737 CG PRO A 79 7.704 20.208 18.058 1.00 23.39 C ATOM 738 CD PRO A 79 7.730 21.635 18.490 1.00 24.23 C ATOM 739 N THR A 80 11.355 21.771 16.500 1.00 25.16 N ATOM 740 CA THR A 80 12.031 21.718 15.240 1.00 20.70 C ATOM 741 C THR A 80 13.323 20.948 15.542 1.00 22.29 C ATOM 742 O THR A 80 13.944 21.113 16.606 1.00 23.09 O ATOM 743 CB THR A 80 12.298 23.145 14.770 1.00 15.27 C ATOM 744 OG1 THR A 80 13.093 23.007 13.601 1.00 16.86 O ATOM 745 CG2 THR A 80 13.049 23.980 15.749 1.00 12.04 C ATOM 746 H THR A 80 11.601 22.480 17.113 1.00 0.00 H ATOM 747 HG1 THR A 80 13.577 23.830 13.435 1.00 0.00 H ATOM 748 N PRO A 81 13.738 20.100 14.592 1.00 23.10 N ATOM 749 CA PRO A 81 15.009 19.427 14.668 1.00 22.87 C ATOM 750 C PRO A 81 16.157 20.401 14.618 1.00 24.84 C ATOM 751 O PRO A 81 17.252 19.997 15.006 1.00 23.32 O ATOM 752 CB PRO A 81 15.056 18.468 13.496 1.00 22.03 C ATOM 753 CG PRO A 81 13.829 18.727 12.613 1.00 23.65 C ATOM 754 CD PRO A 81 13.047 19.821 13.312 1.00 22.38 C ATOM 755 N VAL A 82 16.032 21.624 14.083 1.00 22.42 N ATOM 756 CA VAL A 82 17.197 22.456 13.938 1.00 21.52 C ATOM 757 C VAL A 82 16.645 23.855 14.009 1.00 21.97 C ATOM 758 O VAL A 82 15.461 24.086 13.742 1.00 19.79 O ATOM 759 CB VAL A 82 17.907 22.095 12.562 1.00 21.21 C ATOM 760 CG1 VAL A 82 17.117 22.488 11.374 1.00 20.88 C ATOM 761 CG2 VAL A 82 19.145 22.890 12.409 1.00 25.12 C ATOM 762 H VAL A 82 15.172 21.988 13.779 1.00 0.00 H ATOM 763 N ASN A 83 17.489 24.739 14.510 1.00 21.65 N ATOM 764 CA ASN A 83 17.149 26.126 14.552 1.00 20.76 C ATOM 765 C ASN A 83 17.225 26.704 13.170 1.00 15.49 C ATOM 766 O ASN A 83 18.283 26.631 12.588 1.00 18.35 O ATOM 767 CB ASN A 83 18.105 26.849 15.451 1.00 20.33 C ATOM 768 CG ASN A 83 17.864 26.579 16.918 1.00 21.79 C ATOM 769 OD1 ASN A 83 16.797 26.201 17.342 1.00 22.63 O ATOM 770 ND2 ASN A 83 18.846 26.713 17.775 1.00 28.49 N ATOM 771 H ASN A 83 18.354 24.443 14.853 1.00 0.00 H ATOM 772 1HD2 ASN A 83 18.663 26.488 18.706 1.00 0.00 H ATOM 773 2HD2 ASN A 83 19.715 26.958 17.388 1.00 0.00 H ATOM 774 N ILE A 84 16.139 27.278 12.687 1.00 17.06 N ATOM 775 CA ILE A 84 15.992 27.844 11.350 1.00 15.62 C ATOM 776 C ILE A 84 15.737 29.342 11.363 1.00 12.22 C ATOM 777 O ILE A 84 14.698 29.761 11.900 1.00 14.03 O ATOM 778 CB ILE A 84 14.790 27.102 10.657 1.00 12.14 C ATOM 779 CG1 ILE A 84 15.175 25.667 10.391 1.00 13.18 C ATOM 780 CG2 ILE A 84 14.434 27.744 9.343 1.00 14.76 C ATOM 781 CD1 ILE A 84 13.820 25.013 10.210 1.00 21.08 C ATOM 782 H ILE A 84 15.381 27.321 13.271 1.00 0.00 H ATOM 783 N ILE A 85 16.596 30.103 10.690 1.00 13.77 N ATOM 784 CA ILE A 85 16.282 31.535 10.446 1.00 14.17 C ATOM 785 C ILE A 85 15.688 31.588 9.061 1.00 7.66 C ATOM 786 O ILE A 85 16.464 31.333 8.158 1.00 12.80 O ATOM 787 CB ILE A 85 17.577 32.501 10.535 1.00 16.06 C ATOM 788 CG1 ILE A 85 18.232 32.272 11.961 1.00 15.50 C ATOM 789 CG2 ILE A 85 17.247 34.021 10.383 1.00 12.70 C ATOM 790 CD1 ILE A 85 17.444 32.606 13.244 1.00 16.46 C ATOM 791 H ILE A 85 17.370 29.704 10.256 1.00 0.00 H ATOM 792 N GLY A 86 14.387 31.877 8.933 1.00 9.37 N ATOM 793 CA GLY A 86 13.660 31.911 7.671 1.00 11.59 C ATOM 794 C GLY A 86 13.691 33.282 7.022 1.00 12.58 C ATOM 795 O GLY A 86 14.259 34.224 7.558 1.00 11.90 O ATOM 796 H GLY A 86 13.900 32.075 9.761 1.00 0.00 H ATOM 797 N ARG A 87 13.101 33.426 5.842 1.00 12.86 N ATOM 798 CA ARG A 87 13.130 34.654 5.099 1.00 12.51 C ATOM 799 C ARG A 87 12.572 35.880 5.860 1.00 14.61 C ATOM 800 O ARG A 87 13.118 36.971 5.615 1.00 17.07 O ATOM 801 CB ARG A 87 12.374 34.506 3.832 1.00 12.48 C ATOM 802 CG ARG A 87 13.094 33.563 2.870 1.00 10.48 C ATOM 803 CD ARG A 87 12.410 33.636 1.513 1.00 9.90 C ATOM 804 NE ARG A 87 10.978 33.324 1.611 1.00 10.73 N ATOM 805 CZ ARG A 87 9.957 34.193 1.570 1.00 11.88 C ATOM 806 NH1 ARG A 87 10.114 35.515 1.495 1.00 17.55 N ATOM 807 NH2 ARG A 87 8.731 33.709 1.659 1.00 13.26 N ATOM 808 H ARG A 87 12.610 32.678 5.470 1.00 0.00 H ATOM 809 HE ARG A 87 10.743 32.392 1.776 1.00 0.00 H ATOM 810 1HH1 ARG A 87 11.025 35.899 1.478 1.00 0.00 H ATOM 811 2HH1 ARG A 87 9.326 36.126 1.436 1.00 0.00 H ATOM 812 1HH2 ARG A 87 8.591 32.725 1.785 1.00 0.00 H ATOM 813 2HH2 ARG A 87 7.931 34.322 1.617 1.00 0.00 H ATOM 814 N ASN A 88 11.674 35.718 6.844 1.00 11.99 N ATOM 815 CA ASN A 88 11.154 36.846 7.598 1.00 12.91 C ATOM 816 C ASN A 88 12.204 37.630 8.375 1.00 14.81 C ATOM 817 O ASN A 88 12.075 38.821 8.564 1.00 15.49 O ATOM 818 CB ASN A 88 10.054 36.378 8.531 1.00 11.73 C ATOM 819 CG ASN A 88 10.490 35.716 9.825 1.00 15.61 C ATOM 820 OD1 ASN A 88 11.231 34.744 9.797 1.00 17.70 O ATOM 821 ND2 ASN A 88 10.157 36.237 10.996 1.00 16.68 N ATOM 822 H ASN A 88 11.294 34.820 6.983 1.00 0.00 H ATOM 823 1HD2 ASN A 88 10.465 35.761 11.804 1.00 0.00 H ATOM 824 2HD2 ASN A 88 9.641 37.074 11.036 1.00 0.00 H ATOM 825 N LEU A 89 13.294 37.043 8.786 1.00 13.39 N ATOM 826 CA LEU A 89 14.401 37.728 9.415 1.00 17.16 C ATOM 827 C LEU A 89 15.616 37.926 8.472 1.00 19.04 C ATOM 828 O LEU A 89 16.377 38.901 8.615 1.00 18.70 O ATOM 829 CB LEU A 89 14.783 36.930 10.690 1.00 18.60 C ATOM 830 CG LEU A 89 14.365 37.421 12.072 1.00 26.39 C ATOM 831 CD1 LEU A 89 13.031 38.127 12.057 1.00 24.89 C ATOM 832 CD2 LEU A 89 14.339 36.204 12.979 1.00 25.70 C ATOM 833 H LEU A 89 13.364 36.089 8.579 1.00 0.00 H ATOM 834 N LEU A 90 15.804 37.046 7.442 1.00 15.55 N ATOM 835 CA LEU A 90 16.946 37.161 6.524 1.00 16.70 C ATOM 836 C LEU A 90 16.814 38.474 5.749 1.00 13.77 C ATOM 837 O LEU A 90 17.822 39.135 5.470 1.00 14.04 O ATOM 838 CB LEU A 90 17.041 35.956 5.476 1.00 15.58 C ATOM 839 CG LEU A 90 17.307 34.492 5.968 1.00 15.90 C ATOM 840 CD1 LEU A 90 17.106 33.470 4.854 1.00 11.08 C ATOM 841 CD2 LEU A 90 18.740 34.434 6.536 1.00 13.47 C ATOM 842 H LEU A 90 15.184 36.274 7.360 1.00 0.00 H ATOM 843 N THR A 91 15.604 38.886 5.451 1.00 14.07 N ATOM 844 CA THR A 91 15.486 40.155 4.723 1.00 18.13 C ATOM 845 C THR A 91 15.897 41.311 5.623 1.00 18.37 C ATOM 846 O THR A 91 16.387 42.304 5.142 1.00 19.24 O ATOM 847 CB THR A 91 14.076 40.366 4.274 1.00 14.05 C ATOM 848 OG1 THR A 91 13.280 40.305 5.442 1.00 15.63 O ATOM 849 CG2 THR A 91 13.636 39.336 3.283 1.00 12.43 C ATOM 850 H THR A 91 14.792 38.371 5.650 1.00 0.00 H ATOM 851 HG1 THR A 91 13.091 41.193 5.774 1.00 0.00 H ATOM 852 N GLN A 92 15.726 41.190 6.935 1.00 17.18 N ATOM 853 CA GLN A 92 16.028 42.252 7.850 1.00 15.29 C ATOM 854 C GLN A 92 17.499 42.456 8.013 1.00 20.23 C ATOM 855 O GLN A 92 17.932 43.568 8.298 1.00 20.55 O ATOM 856 CB GLN A 92 15.391 41.937 9.157 1.00 15.26 C ATOM 857 CG GLN A 92 13.846 41.940 9.021 1.00 12.59 C ATOM 858 CD GLN A 92 13.251 43.204 8.427 1.00 16.91 C ATOM 859 OE1 GLN A 92 12.882 43.332 7.269 1.00 16.62 O ATOM 860 NE2 GLN A 92 13.120 44.239 9.191 1.00 12.56 N ATOM 861 H GLN A 92 15.325 40.352 7.267 1.00 0.00 H ATOM 862 1HE2 GLN A 92 12.677 44.970 8.722 1.00 0.00 H ATOM 863 2HE2 GLN A 92 13.458 44.238 10.115 1.00 0.00 H ATOM 864 N ILE A 93 18.331 41.435 7.832 1.00 18.16 N ATOM 865 CA ILE A 93 19.755 41.636 7.920 1.00 19.75 C ATOM 866 C ILE A 93 20.362 41.885 6.581 1.00 17.24 C ATOM 867 O ILE A 93 21.576 41.998 6.501 1.00 21.33 O ATOM 868 CB ILE A 93 20.511 40.456 8.530 1.00 19.88 C ATOM 869 CG1 ILE A 93 20.426 39.176 7.708 1.00 22.28 C ATOM 870 CG2 ILE A 93 19.962 40.386 9.964 1.00 21.54 C ATOM 871 CD1 ILE A 93 21.231 38.102 8.448 1.00 26.77 C ATOM 872 H ILE A 93 17.946 40.555 7.624 1.00 0.00 H ATOM 873 N GLY A 94 19.517 42.024 5.571 1.00 17.81 N ATOM 874 CA GLY A 94 19.987 42.322 4.256 1.00 18.94 C ATOM 875 C GLY A 94 20.592 41.156 3.504 1.00 20.06 C ATOM 876 O GLY A 94 21.483 41.317 2.674 1.00 18.05 O ATOM 877 H GLY A 94 18.557 41.968 5.717 1.00 0.00 H ATOM 878 N CYS A 95 20.060 39.985 3.766 1.00 19.13 N ATOM 879 CA CYS A 95 20.601 38.781 3.134 1.00 18.07 C ATOM 880 C CYS A 95 20.084 38.524 1.710 1.00 15.37 C ATOM 881 O CYS A 95 18.893 38.654 1.376 1.00 19.44 O ATOM 882 CB CYS A 95 20.277 37.635 4.115 1.00 18.96 C ATOM 883 SG CYS A 95 21.250 36.160 3.882 1.00 28.12 S ATOM 884 H CYS A 95 19.227 39.921 4.281 1.00 0.00 H ATOM 885 N THR A 96 21.003 38.295 0.780 1.00 15.80 N ATOM 886 CA THR A 96 20.678 37.871 -0.577 1.00 16.39 C ATOM 887 C THR A 96 21.439 36.568 -0.992 1.00 18.41 C ATOM 888 O THR A 96 22.479 36.149 -0.399 1.00 15.60 O ATOM 889 CB THR A 96 21.027 38.958 -1.620 1.00 17.32 C ATOM 890 OG1 THR A 96 22.402 39.190 -1.450 1.00 17.48 O ATOM 891 CG2 THR A 96 20.306 40.298 -1.466 1.00 18.46 C ATOM 892 H THR A 96 21.946 38.496 0.988 1.00 0.00 H ATOM 893 HG1 THR A 96 22.626 39.867 -2.095 1.00 0.00 H ATOM 894 N LEU A 97 20.866 35.970 -2.063 1.00 18.43 N ATOM 895 CA LEU A 97 21.379 34.834 -2.806 1.00 20.23 C ATOM 896 C LEU A 97 22.075 35.407 -4.021 1.00 19.03 C ATOM 897 O LEU A 97 21.527 36.225 -4.701 1.00 19.11 O ATOM 898 CB LEU A 97 20.228 33.994 -3.215 1.00 20.82 C ATOM 899 CG LEU A 97 20.116 32.585 -2.761 1.00 26.01 C ATOM 900 CD1 LEU A 97 20.935 32.329 -1.538 1.00 26.60 C ATOM 901 CD2 LEU A 97 18.671 32.321 -2.466 1.00 25.06 C ATOM 902 H LEU A 97 20.043 36.366 -2.400 1.00 0.00 H ATOM 903 N ASN A 98 23.297 35.025 -4.300 1.00 18.58 N ATOM 904 CA ASN A 98 24.090 35.535 -5.363 1.00 20.11 C ATOM 905 C ASN A 98 24.742 34.413 -6.156 1.00 22.83 C ATOM 906 O ASN A 98 25.427 33.577 -5.530 1.00 20.41 O ATOM 907 CB ASN A 98 25.196 36.382 -4.801 1.00 20.17 C ATOM 908 CG ASN A 98 24.747 37.645 -4.111 1.00 28.53 C ATOM 909 OD1 ASN A 98 24.592 38.702 -4.712 1.00 32.54 O ATOM 910 ND2 ASN A 98 24.582 37.585 -2.800 1.00 30.55 N ATOM 911 H ASN A 98 23.703 34.318 -3.745 1.00 0.00 H ATOM 912 1HD2 ASN A 98 24.338 38.354 -2.244 1.00 0.00 H ATOM 913 2HD2 ASN A 98 24.788 36.716 -2.437 1.00 0.00 H ATOM 914 N PHE A 99 24.585 34.403 -7.494 1.00 22.68 N ATOM 915 CA PHE A 99 25.310 33.504 -8.399 1.00 27.77 C ATOM 916 C PHE A 99 25.387 34.069 -9.832 1.00 29.60 C ATOM 917 O PHE A 99 24.925 35.171 -10.055 1.00 34.28 O ATOM 918 CB PHE A 99 24.617 32.129 -8.373 1.00 26.73 C ATOM 919 CG PHE A 99 23.161 32.134 -8.796 1.00 26.75 C ATOM 920 CD1 PHE A 99 22.173 32.518 -7.901 1.00 28.12 C ATOM 921 CD2 PHE A 99 22.834 31.746 -10.092 1.00 30.05 C ATOM 922 CE1 PHE A 99 20.851 32.509 -8.312 1.00 29.58 C ATOM 923 CE2 PHE A 99 21.503 31.733 -10.501 1.00 32.20 C ATOM 924 CZ PHE A 99 20.517 32.119 -9.602 1.00 29.95 C ATOM 925 OXT PHE A 99 25.850 33.433 -10.773 1.00 37.63 O ATOM 926 H PHE A 99 24.021 35.094 -7.895 1.00 0.00 H TER 927 PHE A 99 ATOM 928 N PRO B 1 22.740 36.190 -10.794 1.00 42.91 N ATOM 929 CA PRO B 1 21.831 37.194 -10.291 1.00 40.12 C ATOM 930 C PRO B 1 21.984 37.435 -8.790 1.00 37.32 C ATOM 931 O PRO B 1 22.664 36.653 -8.124 1.00 38.44 O ATOM 932 CB PRO B 1 20.429 36.703 -10.688 1.00 40.38 C ATOM 933 CG PRO B 1 20.574 35.310 -11.259 1.00 41.72 C ATOM 934 CD PRO B 1 21.992 35.450 -11.799 1.00 44.98 C ATOM 935 1H PRO B 1 23.678 36.509 -11.104 1.00 0.00 H ATOM 936 2H PRO B 1 23.017 35.583 -9.984 1.00 0.00 H ATOM 937 N GLN B 2 21.412 38.499 -8.245 1.00 33.38 N ATOM 938 CA GLN B 2 21.419 38.698 -6.821 1.00 32.12 C ATOM 939 C GLN B 2 19.940 38.503 -6.513 1.00 30.17 C ATOM 940 O GLN B 2 19.093 39.018 -7.255 1.00 31.36 O ATOM 941 CB GLN B 2 21.853 40.085 -6.493 1.00 34.43 C ATOM 942 CG GLN B 2 21.601 40.398 -5.026 1.00 41.58 C ATOM 943 CD GLN B 2 22.061 41.792 -4.656 1.00 48.25 C ATOM 944 OE1 GLN B 2 21.248 42.720 -4.553 1.00 53.36 O ATOM 945 NE2 GLN B 2 23.366 41.972 -4.442 1.00 48.95 N ATOM 946 H GLN B 2 20.791 39.075 -8.750 1.00 0.00 H ATOM 947 1HE2 GLN B 2 23.665 42.870 -4.182 1.00 0.00 H ATOM 948 2HE2 GLN B 2 23.953 41.196 -4.557 1.00 0.00 H ATOM 949 N ILE B 3 19.541 37.766 -5.483 1.00 25.12 N ATOM 950 CA ILE B 3 18.142 37.448 -5.288 1.00 22.23 C ATOM 951 C ILE B 3 17.855 37.858 -3.854 1.00 20.83 C ATOM 952 O ILE B 3 18.619 37.420 -2.981 1.00 19.53 O ATOM 953 CB ILE B 3 17.938 35.933 -5.524 1.00 20.46 C ATOM 954 CG1 ILE B 3 18.167 35.598 -6.994 1.00 24.79 C ATOM 955 CG2 ILE B 3 16.520 35.511 -5.144 1.00 17.33 C ATOM 956 CD1 ILE B 3 18.031 34.102 -7.300 1.00 24.92 C ATOM 957 H ILE B 3 20.192 37.451 -4.822 1.00 0.00 H ATOM 958 N THR B 4 16.848 38.755 -3.612 1.00 18.31 N ATOM 959 CA THR B 4 16.495 39.149 -2.251 1.00 18.67 C ATOM 960 C THR B 4 15.439 38.160 -1.772 1.00 16.94 C ATOM 961 O THR B 4 14.794 37.429 -2.521 1.00 17.68 O ATOM 962 CB THR B 4 15.998 40.636 -2.274 1.00 19.64 C ATOM 963 OG1 THR B 4 14.962 40.739 -3.238 1.00 22.00 O ATOM 964 CG2 THR B 4 17.143 41.589 -2.512 1.00 21.32 C ATOM 965 H THR B 4 16.282 39.070 -4.350 1.00 0.00 H ATOM 966 HG1 THR B 4 14.811 41.675 -3.433 1.00 0.00 H ATOM 967 N LEU B 5 15.157 38.145 -0.488 1.00 19.90 N ATOM 968 CA LEU B 5 14.337 37.068 0.049 1.00 18.01 C ATOM 969 C LEU B 5 13.027 37.554 0.553 1.00 18.45 C ATOM 970 O LEU B 5 12.442 37.001 1.470 1.00 17.01 O ATOM 971 CB LEU B 5 15.160 36.390 1.143 1.00 16.29 C ATOM 972 CG LEU B 5 16.445 35.705 0.573 1.00 13.36 C ATOM 973 CD1 LEU B 5 17.392 35.395 1.680 1.00 16.24 C ATOM 974 CD2 LEU B 5 16.059 34.522 -0.212 1.00 13.08 C ATOM 975 H LEU B 5 15.561 38.792 0.131 1.00 0.00 H ATOM 976 N TRP B 6 12.572 38.676 -0.022 1.00 15.18 N ATOM 977 CA TRP B 6 11.304 39.275 0.363 1.00 15.60 C ATOM 978 C TRP B 6 10.240 38.343 -0.139 1.00 16.67 C ATOM 979 O TRP B 6 9.180 38.264 0.484 1.00 19.47 O ATOM 980 CB TRP B 6 11.135 40.711 -0.265 1.00 16.77 C ATOM 981 CG TRP B 6 12.163 41.753 0.223 1.00 16.14 C ATOM 982 CD1 TRP B 6 13.266 42.061 -0.511 1.00 15.64 C ATOM 983 CD2 TRP B 6 12.174 42.343 1.465 1.00 17.92 C ATOM 984 NE1 TRP B 6 13.993 42.806 0.272 1.00 16.57 N ATOM 985 CE2 TRP B 6 13.398 42.998 1.459 1.00 17.13 C ATOM 986 CE3 TRP B 6 11.337 42.382 2.580 1.00 17.00 C ATOM 987 CZ2 TRP B 6 13.834 43.736 2.587 1.00 17.53 C ATOM 988 CZ3 TRP B 6 11.773 43.115 3.695 1.00 14.69 C ATOM 989 CH2 TRP B 6 13.014 43.783 3.711 1.00 14.01 C ATOM 990 H TRP B 6 13.016 38.960 -0.840 1.00 0.00 H ATOM 991 HE1 TRP B 6 14.821 43.287 0.021 1.00 0.00 H ATOM 992 N GLN B 7 10.475 37.634 -1.263 1.00 18.54 N ATOM 993 CA GLN B 7 9.592 36.613 -1.779 1.00 18.89 C ATOM 994 C GLN B 7 10.333 35.241 -1.808 1.00 16.61 C ATOM 995 O GLN B 7 11.551 35.265 -1.752 1.00 12.67 O ATOM 996 CB GLN B 7 9.230 36.901 -3.182 1.00 27.57 C ATOM 997 CG GLN B 7 8.306 38.078 -3.369 1.00 44.95 C ATOM 998 CD GLN B 7 8.052 38.367 -4.849 1.00 56.30 C ATOM 999 OE1 GLN B 7 8.136 37.511 -5.758 1.00 60.69 O ATOM 1000 NE2 GLN B 7 7.712 39.651 -5.048 1.00 60.94 N ATOM 1001 H GLN B 7 11.356 37.637 -1.699 1.00 0.00 H ATOM 1002 1HE2 GLN B 7 7.478 39.905 -5.961 1.00 0.00 H ATOM 1003 2HE2 GLN B 7 7.703 40.272 -4.288 1.00 0.00 H ATOM 1004 N ARG B 8 9.655 34.075 -1.893 1.00 17.48 N ATOM 1005 CA ARG B 8 10.248 32.766 -2.013 1.00 15.32 C ATOM 1006 C ARG B 8 11.227 32.750 -3.139 1.00 14.45 C ATOM 1007 O ARG B 8 10.846 33.287 -4.187 1.00 16.28 O ATOM 1008 CB ARG B 8 9.214 31.733 -2.318 1.00 15.47 C ATOM 1009 CG ARG B 8 8.538 31.494 -1.050 1.00 12.62 C ATOM 1010 CD ARG B 8 7.561 30.411 -1.195 1.00 13.52 C ATOM 1011 NE ARG B 8 6.781 30.444 0.029 1.00 12.72 N ATOM 1012 CZ ARG B 8 5.476 30.119 0.083 1.00 14.64 C ATOM 1013 NH1 ARG B 8 4.758 29.683 -0.964 1.00 20.99 N ATOM 1014 NH2 ARG B 8 4.803 30.152 1.207 1.00 16.41 N ATOM 1015 H ARG B 8 8.682 34.129 -1.946 1.00 0.00 H ATOM 1016 HE ARG B 8 7.205 30.742 0.854 1.00 0.00 H ATOM 1017 1HH1 ARG B 8 5.201 29.578 -1.852 1.00 0.00 H ATOM 1018 2HH1 ARG B 8 3.801 29.423 -0.866 1.00 0.00 H ATOM 1019 1HH2 ARG B 8 5.243 30.366 2.062 1.00 0.00 H ATOM 1020 2HH2 ARG B 8 3.845 29.865 1.184 1.00 0.00 H ATOM 1021 N PRO B 9 12.447 32.211 -2.995 1.00 13.03 N ATOM 1022 CA PRO B 9 13.404 32.155 -4.064 1.00 16.16 C ATOM 1023 C PRO B 9 13.106 30.991 -5.003 1.00 17.51 C ATOM 1024 O PRO B 9 13.750 29.956 -4.951 1.00 17.73 O ATOM 1025 CB PRO B 9 14.745 32.108 -3.345 1.00 15.46 C ATOM 1026 CG PRO B 9 14.454 31.355 -2.097 1.00 10.37 C ATOM 1027 CD PRO B 9 13.106 31.900 -1.724 1.00 11.28 C ATOM 1028 N LEU B 10 12.075 31.157 -5.833 1.00 19.82 N ATOM 1029 CA LEU B 10 11.638 30.166 -6.814 1.00 22.21 C ATOM 1030 C LEU B 10 12.277 30.455 -8.167 1.00 24.42 C ATOM 1031 O LEU B 10 12.324 31.633 -8.549 1.00 26.34 O ATOM 1032 CB LEU B 10 10.133 30.234 -6.917 1.00 23.22 C ATOM 1033 CG LEU B 10 9.392 29.922 -5.665 1.00 27.03 C ATOM 1034 CD1 LEU B 10 8.000 30.451 -5.779 1.00 32.50 C ATOM 1035 CD2 LEU B 10 9.396 28.420 -5.447 1.00 32.56 C ATOM 1036 H LEU B 10 11.634 32.039 -5.851 1.00 0.00 H ATOM 1037 N VAL B 11 12.872 29.475 -8.862 1.00 19.01 N ATOM 1038 CA VAL B 11 13.510 29.686 -10.141 1.00 17.90 C ATOM 1039 C VAL B 11 13.007 28.566 -11.052 1.00 20.26 C ATOM 1040 O VAL B 11 12.373 27.619 -10.568 1.00 21.64 O ATOM 1041 CB VAL B 11 15.063 29.581 -10.064 1.00 19.25 C ATOM 1042 CG1 VAL B 11 15.613 30.620 -9.128 1.00 22.32 C ATOM 1043 CG2 VAL B 11 15.508 28.217 -9.529 1.00 18.15 C ATOM 1044 H VAL B 11 12.880 28.555 -8.519 1.00 0.00 H ATOM 1045 N THR B 12 13.213 28.671 -12.367 1.00 19.65 N ATOM 1046 CA THR B 12 12.901 27.625 -13.343 1.00 17.41 C ATOM 1047 C THR B 12 14.146 26.762 -13.453 1.00 14.88 C ATOM 1048 O THR B 12 15.289 27.242 -13.419 1.00 18.40 O ATOM 1049 CB THR B 12 12.564 28.254 -14.695 1.00 17.57 C ATOM 1050 OG1 THR B 12 11.481 29.066 -14.319 1.00 23.72 O ATOM 1051 CG2 THR B 12 12.109 27.339 -15.829 1.00 21.94 C ATOM 1052 H THR B 12 13.725 29.433 -12.667 1.00 0.00 H ATOM 1053 HG1 THR B 12 11.725 29.680 -13.623 1.00 0.00 H ATOM 1054 N ILE B 13 13.913 25.458 -13.524 1.00 16.92 N ATOM 1055 CA ILE B 13 14.975 24.517 -13.713 1.00 15.48 C ATOM 1056 C ILE B 13 14.509 23.695 -14.888 1.00 14.36 C ATOM 1057 O ILE B 13 13.321 23.614 -15.231 1.00 15.29 O ATOM 1058 CB ILE B 13 15.186 23.590 -12.449 1.00 12.03 C ATOM 1059 CG1 ILE B 13 13.952 22.828 -12.147 1.00 13.53 C ATOM 1060 CG2 ILE B 13 15.541 24.468 -11.225 1.00 15.27 C ATOM 1061 CD1 ILE B 13 14.166 21.605 -11.255 1.00 22.32 C ATOM 1062 H ILE B 13 12.996 25.126 -13.553 1.00 0.00 H ATOM 1063 N LYS B 14 15.452 23.068 -15.544 1.00 17.37 N ATOM 1064 CA LYS B 14 15.135 22.257 -16.701 1.00 22.94 C ATOM 1065 C LYS B 14 15.803 20.933 -16.368 1.00 21.45 C ATOM 1066 O LYS B 14 16.993 20.860 -16.072 1.00 22.48 O ATOM 1067 CB LYS B 14 15.746 22.884 -17.970 1.00 20.44 C ATOM 1068 CG LYS B 14 15.093 22.355 -19.207 1.00 28.34 C ATOM 1069 CD LYS B 14 15.644 23.021 -20.431 1.00 32.58 C ATOM 1070 CE LYS B 14 14.865 22.571 -21.660 1.00 36.06 C ATOM 1071 NZ LYS B 14 15.591 23.099 -22.803 1.00 38.74 N ATOM 1072 H LYS B 14 16.384 23.187 -15.264 1.00 0.00 H ATOM 1073 1HZ LYS B 14 16.566 22.745 -22.762 1.00 0.00 H ATOM 1074 2HZ LYS B 14 15.122 22.802 -23.681 1.00 0.00 H ATOM 1075 3HZ LYS B 14 15.583 24.135 -22.726 1.00 0.00 H ATOM 1076 N ILE B 15 14.999 19.906 -16.321 1.00 24.35 N ATOM 1077 CA ILE B 15 15.501 18.572 -16.057 1.00 27.96 C ATOM 1078 C ILE B 15 14.713 17.630 -16.955 1.00 30.65 C ATOM 1079 O ILE B 15 13.490 17.697 -17.024 1.00 28.59 O ATOM 1080 CB ILE B 15 15.352 18.181 -14.504 1.00 27.09 C ATOM 1081 CG1 ILE B 15 15.917 16.741 -14.356 1.00 26.86 C ATOM 1082 CG2 ILE B 15 13.934 18.331 -13.965 1.00 26.32 C ATOM 1083 CD1 ILE B 15 16.295 16.377 -12.909 1.00 18.51 C ATOM 1084 H ILE B 15 14.044 20.042 -16.497 1.00 0.00 H ATOM 1085 N GLY B 16 15.380 16.816 -17.763 1.00 34.41 N ATOM 1086 CA GLY B 16 14.663 15.843 -18.601 1.00 33.22 C ATOM 1087 C GLY B 16 13.881 16.547 -19.716 1.00 33.26 C ATOM 1088 O GLY B 16 12.856 16.050 -20.180 1.00 31.59 O ATOM 1089 H GLY B 16 16.355 16.866 -17.767 1.00 0.00 H ATOM 1090 N GLY B 17 14.389 17.727 -20.137 1.00 31.33 N ATOM 1091 CA GLY B 17 13.681 18.543 -21.112 1.00 31.24 C ATOM 1092 C GLY B 17 12.361 19.102 -20.556 1.00 30.62 C ATOM 1093 O GLY B 17 11.492 19.541 -21.320 1.00 36.32 O ATOM 1094 H GLY B 17 15.251 18.047 -19.806 1.00 0.00 H ATOM 1095 N GLN B 18 12.098 19.081 -19.246 1.00 28.95 N ATOM 1096 CA GLN B 18 10.877 19.678 -18.723 1.00 29.37 C ATOM 1097 C GLN B 18 11.305 20.852 -17.925 1.00 25.32 C ATOM 1098 O GLN B 18 12.366 20.853 -17.295 1.00 23.45 O ATOM 1099 CB GLN B 18 10.136 18.798 -17.760 1.00 37.25 C ATOM 1100 CG GLN B 18 10.047 17.363 -18.227 1.00 51.20 C ATOM 1101 CD GLN B 18 9.490 16.374 -17.195 1.00 59.01 C ATOM 1102 OE1 GLN B 18 10.039 15.291 -16.893 1.00 64.34 O ATOM 1103 NE2 GLN B 18 8.315 16.718 -16.658 1.00 60.86 N ATOM 1104 H GLN B 18 12.674 18.583 -18.628 1.00 0.00 H ATOM 1105 1HE2 GLN B 18 7.919 16.116 -15.996 1.00 0.00 H ATOM 1106 2HE2 GLN B 18 7.901 17.558 -16.951 1.00 0.00 H ATOM 1107 N LEU B 19 10.431 21.830 -17.956 1.00 24.96 N ATOM 1108 CA LEU B 19 10.690 22.977 -17.124 1.00 26.92 C ATOM 1109 C LEU B 19 9.937 22.784 -15.823 1.00 25.36 C ATOM 1110 O LEU B 19 8.779 22.344 -15.877 1.00 25.51 O ATOM 1111 CB LEU B 19 10.204 24.316 -17.719 1.00 24.52 C ATOM 1112 CG LEU B 19 10.919 24.773 -18.995 1.00 23.96 C ATOM 1113 CD1 LEU B 19 10.315 26.080 -19.463 1.00 26.01 C ATOM 1114 CD2 LEU B 19 12.392 24.914 -18.757 1.00 21.04 C ATOM 1115 H LEU B 19 9.583 21.747 -18.428 1.00 0.00 H ATOM 1116 N LYS B 20 10.542 23.069 -14.681 1.00 22.82 N ATOM 1117 CA LYS B 20 9.861 22.971 -13.428 1.00 22.48 C ATOM 1118 C LYS B 20 10.284 24.190 -12.617 1.00 19.32 C ATOM 1119 O LYS B 20 11.297 24.841 -12.866 1.00 21.91 O ATOM 1120 CB LYS B 20 10.252 21.654 -12.715 1.00 25.44 C ATOM 1121 CG LYS B 20 9.826 20.348 -13.410 1.00 31.71 C ATOM 1122 CD LYS B 20 10.236 19.109 -12.567 1.00 36.65 C ATOM 1123 CE LYS B 20 9.200 17.959 -12.425 1.00 42.92 C ATOM 1124 NZ LYS B 20 9.609 16.943 -11.442 1.00 48.55 N ATOM 1125 H LYS B 20 11.457 23.436 -14.701 1.00 0.00 H ATOM 1126 1HZ LYS B 20 10.580 16.630 -11.646 1.00 0.00 H ATOM 1127 2HZ LYS B 20 9.561 17.365 -10.493 1.00 0.00 H ATOM 1128 3HZ LYS B 20 8.950 16.144 -11.522 1.00 0.00 H ATOM 1129 N GLU B 21 9.524 24.614 -11.629 1.00 18.46 N ATOM 1130 CA GLU B 21 9.915 25.695 -10.693 1.00 21.34 C ATOM 1131 C GLU B 21 10.600 25.025 -9.519 1.00 18.50 C ATOM 1132 O GLU B 21 10.117 23.944 -9.158 1.00 18.79 O ATOM 1133 CB GLU B 21 8.720 26.435 -10.089 1.00 30.62 C ATOM 1134 CG GLU B 21 7.827 27.290 -10.975 1.00 49.38 C ATOM 1135 CD GLU B 21 8.435 28.670 -11.340 1.00 58.93 C ATOM 1136 OE1 GLU B 21 9.439 28.719 -12.088 1.00 65.30 O ATOM 1137 OE2 GLU B 21 7.892 29.699 -10.884 1.00 63.35 O ATOM 1138 H GLU B 21 8.700 24.126 -11.443 1.00 0.00 H ATOM 1139 N ALA B 22 11.576 25.565 -8.855 1.00 13.69 N ATOM 1140 CA ALA B 22 12.174 24.901 -7.749 1.00 14.36 C ATOM 1141 C ALA B 22 12.520 25.962 -6.768 1.00 15.23 C ATOM 1142 O ALA B 22 12.725 27.089 -7.162 1.00 17.55 O ATOM 1143 CB ALA B 22 13.412 24.279 -8.162 1.00 13.33 C ATOM 1144 H ALA B 22 11.897 26.466 -9.097 1.00 0.00 H ATOM 1145 N LEU B 23 12.577 25.709 -5.505 1.00 14.18 N ATOM 1146 CA LEU B 23 12.984 26.641 -4.480 1.00 13.13 C ATOM 1147 C LEU B 23 14.486 26.642 -4.269 1.00 16.16 C ATOM 1148 O LEU B 23 15.006 25.536 -4.044 1.00 16.63 O ATOM 1149 CB LEU B 23 12.231 26.205 -3.231 1.00 16.67 C ATOM 1150 CG LEU B 23 12.159 26.961 -1.935 1.00 18.50 C ATOM 1151 CD1 LEU B 23 11.462 28.302 -2.298 1.00 14.63 C ATOM 1152 CD2 LEU B 23 11.391 26.194 -0.853 1.00 14.79 C ATOM 1153 H LEU B 23 12.338 24.805 -5.230 1.00 0.00 H ATOM 1154 N LEU B 24 15.261 27.746 -4.258 1.00 13.38 N ATOM 1155 CA LEU B 24 16.673 27.723 -3.901 1.00 15.71 C ATOM 1156 C LEU B 24 16.781 27.659 -2.380 1.00 14.52 C ATOM 1157 O LEU B 24 16.292 28.519 -1.651 1.00 13.10 O ATOM 1158 CB LEU B 24 17.358 28.957 -4.409 1.00 18.36 C ATOM 1159 CG LEU B 24 17.399 29.182 -5.922 1.00 20.09 C ATOM 1160 CD1 LEU B 24 18.481 30.234 -6.172 1.00 19.58 C ATOM 1161 CD2 LEU B 24 17.726 27.904 -6.688 1.00 19.20 C ATOM 1162 H LEU B 24 14.843 28.606 -4.409 1.00 0.00 H ATOM 1163 N ASP B 25 17.371 26.552 -1.888 1.00 12.60 N ATOM 1164 CA ASP B 25 17.304 26.329 -0.480 1.00 14.39 C ATOM 1165 C ASP B 25 18.588 26.024 0.194 1.00 16.27 C ATOM 1166 O ASP B 25 19.105 24.924 0.116 1.00 14.19 O ATOM 1167 CB ASP B 25 16.268 25.225 -0.273 1.00 16.09 C ATOM 1168 CG ASP B 25 15.868 24.996 1.165 1.00 19.31 C ATOM 1169 OD1 ASP B 25 16.196 25.780 2.052 1.00 17.68 O ATOM 1170 OD2 ASP B 25 15.183 24.014 1.349 1.00 20.78 O ATOM 1171 H ASP B 25 17.772 25.869 -2.466 1.00 0.00 H ATOM 1172 N THR B 26 19.030 27.001 0.949 1.00 13.32 N ATOM 1173 CA THR B 26 20.271 26.828 1.675 1.00 14.34 C ATOM 1174 C THR B 26 20.064 25.939 2.911 1.00 11.83 C ATOM 1175 O THR B 26 21.011 25.390 3.427 1.00 13.24 O ATOM 1176 CB THR B 26 20.844 28.223 2.058 1.00 9.38 C ATOM 1177 OG1 THR B 26 19.849 28.856 2.851 1.00 12.38 O ATOM 1178 CG2 THR B 26 21.212 29.078 0.819 1.00 9.31 C ATOM 1179 H THR B 26 18.513 27.832 0.996 1.00 0.00 H ATOM 1180 HG1 THR B 26 20.325 29.251 3.616 1.00 0.00 H ATOM 1181 N GLY B 27 18.872 25.724 3.380 1.00 10.72 N ATOM 1182 CA GLY B 27 18.608 24.869 4.477 1.00 11.26 C ATOM 1183 C GLY B 27 18.372 23.418 3.996 1.00 15.20 C ATOM 1184 O GLY B 27 18.106 22.583 4.849 1.00 17.20 O ATOM 1185 H GLY B 27 18.114 26.171 2.957 1.00 0.00 H ATOM 1186 N ALA B 28 18.469 23.027 2.732 1.00 12.82 N ATOM 1187 CA ALA B 28 18.397 21.646 2.359 1.00 12.95 C ATOM 1188 C ALA B 28 19.798 21.139 2.007 1.00 13.21 C ATOM 1189 O ALA B 28 20.533 21.667 1.146 1.00 12.27 O ATOM 1190 CB ALA B 28 17.490 21.572 1.204 1.00 8.55 C ATOM 1191 H ALA B 28 18.569 23.681 2.010 1.00 0.00 H ATOM 1192 N ASP B 29 20.298 20.091 2.661 1.00 12.54 N ATOM 1193 CA ASP B 29 21.637 19.570 2.306 1.00 14.40 C ATOM 1194 C ASP B 29 21.627 18.983 0.912 1.00 12.88 C ATOM 1195 O ASP B 29 22.601 19.138 0.186 1.00 16.32 O ATOM 1196 CB ASP B 29 22.091 18.468 3.258 1.00 17.69 C ATOM 1197 CG ASP B 29 21.952 18.856 4.737 1.00 22.57 C ATOM 1198 OD1 ASP B 29 22.532 19.837 5.175 1.00 19.54 O ATOM 1199 OD2 ASP B 29 21.235 18.175 5.503 1.00 26.94 O ATOM 1200 H ASP B 29 19.773 19.713 3.399 1.00 0.00 H ATOM 1201 N ASP B 30 20.523 18.389 0.459 1.00 10.37 N ATOM 1202 CA ASP B 30 20.489 17.773 -0.846 1.00 11.39 C ATOM 1203 C ASP B 30 19.376 18.295 -1.720 1.00 9.67 C ATOM 1204 O ASP B 30 18.526 18.996 -1.236 1.00 13.69 O ATOM 1205 CB ASP B 30 20.300 16.275 -0.731 1.00 18.34 C ATOM 1206 CG ASP B 30 21.417 15.663 0.086 1.00 23.91 C ATOM 1207 OD1 ASP B 30 22.592 15.822 -0.269 1.00 26.94 O ATOM 1208 OD2 ASP B 30 21.079 15.072 1.106 1.00 23.65 O ATOM 1209 H ASP B 30 19.645 18.533 0.864 1.00 0.00 H ATOM 1210 N THR B 31 19.323 17.932 -2.985 1.00 11.85 N ATOM 1211 CA THR B 31 18.348 18.404 -3.915 1.00 12.36 C ATOM 1212 C THR B 31 17.243 17.387 -3.971 1.00 15.57 C ATOM 1213 O THR B 31 17.586 16.229 -4.190 1.00 12.11 O ATOM 1214 CB THR B 31 19.043 18.552 -5.229 1.00 11.27 C ATOM 1215 OG1 THR B 31 19.815 19.742 -5.113 1.00 14.11 O ATOM 1216 CG2 THR B 31 18.103 18.728 -6.382 1.00 13.22 C ATOM 1217 H THR B 31 19.898 17.214 -3.297 1.00 0.00 H ATOM 1218 HG1 THR B 31 20.520 19.552 -4.490 1.00 0.00 H ATOM 1219 N VAL B 32 15.967 17.811 -3.819 1.00 13.78 N ATOM 1220 CA VAL B 32 14.875 16.865 -3.780 1.00 15.88 C ATOM 1221 C VAL B 32 13.840 17.210 -4.780 1.00 16.69 C ATOM 1222 O VAL B 32 13.295 18.302 -4.687 1.00 17.22 O ATOM 1223 CB VAL B 32 14.153 16.802 -2.442 1.00 19.18 C ATOM 1224 CG1 VAL B 32 13.523 15.392 -2.360 1.00 21.88 C ATOM 1225 CG2 VAL B 32 15.051 17.029 -1.276 1.00 23.64 C ATOM 1226 H VAL B 32 15.782 18.760 -3.737 1.00 0.00 H ATOM 1227 N LEU B 33 13.443 16.355 -5.674 1.00 15.70 N ATOM 1228 CA LEU B 33 12.440 16.685 -6.659 1.00 17.68 C ATOM 1229 C LEU B 33 11.212 15.834 -6.410 1.00 19.37 C ATOM 1230 O LEU B 33 11.300 14.729 -5.863 1.00 16.07 O ATOM 1231 CB LEU B 33 13.004 16.393 -8.024 1.00 19.86 C ATOM 1232 CG LEU B 33 14.311 17.049 -8.413 1.00 26.13 C ATOM 1233 CD1 LEU B 33 14.676 16.641 -9.797 1.00 28.69 C ATOM 1234 CD2 LEU B 33 14.146 18.558 -8.487 1.00 29.49 C ATOM 1235 H LEU B 33 13.730 15.432 -5.635 1.00 0.00 H ATOM 1236 N GLU B 34 10.073 16.397 -6.790 1.00 18.62 N ATOM 1237 CA GLU B 34 8.818 15.682 -6.845 1.00 17.48 C ATOM 1238 C GLU B 34 8.987 14.455 -7.680 1.00 20.08 C ATOM 1239 O GLU B 34 9.864 14.358 -8.522 1.00 21.53 O ATOM 1240 CB GLU B 34 7.723 16.436 -7.534 1.00 18.53 C ATOM 1241 CG GLU B 34 7.548 17.730 -6.825 1.00 30.55 C ATOM 1242 CD GLU B 34 6.519 18.592 -7.510 1.00 34.75 C ATOM 1243 OE1 GLU B 34 5.424 18.100 -7.707 1.00 43.38 O ATOM 1244 OE2 GLU B 34 6.778 19.730 -7.873 1.00 38.19 O ATOM 1245 H GLU B 34 10.129 17.303 -7.143 1.00 0.00 H ATOM 1246 N GLU B 35 8.099 13.521 -7.473 1.00 21.03 N ATOM 1247 CA GLU B 35 8.112 12.265 -8.157 1.00 23.20 C ATOM 1248 C GLU B 35 8.304 12.423 -9.638 1.00 24.06 C ATOM 1249 O GLU B 35 7.502 13.129 -10.236 1.00 28.20 O ATOM 1250 CB GLU B 35 6.788 11.544 -7.801 1.00 28.59 C ATOM 1251 CG GLU B 35 6.560 10.135 -8.360 1.00 36.79 C ATOM 1252 CD GLU B 35 7.722 9.213 -8.030 1.00 39.91 C ATOM 1253 OE1 GLU B 35 8.146 9.237 -6.864 1.00 37.72 O ATOM 1254 OE2 GLU B 35 8.203 8.531 -8.948 1.00 42.47 O ATOM 1255 H GLU B 35 7.454 13.667 -6.750 1.00 0.00 H ATOM 1256 N MET B 36 9.376 11.900 -10.229 1.00 25.32 N ATOM 1257 CA MET B 36 9.524 11.874 -11.679 1.00 30.02 C ATOM 1258 C MET B 36 10.315 10.644 -12.162 1.00 33.99 C ATOM 1259 O MET B 36 10.859 9.869 -11.354 1.00 34.45 O ATOM 1260 CB MET B 36 10.220 13.145 -12.197 1.00 27.39 C ATOM 1261 CG MET B 36 11.664 13.250 -11.874 1.00 26.93 C ATOM 1262 SD MET B 36 12.074 14.917 -12.313 1.00 27.98 S ATOM 1263 CE MET B 36 12.363 14.586 -14.037 1.00 29.05 C ATOM 1264 H MET B 36 10.099 11.520 -9.706 1.00 0.00 H ATOM 1265 N ASN B 37 10.371 10.402 -13.479 1.00 39.65 N ATOM 1266 CA ASN B 37 11.124 9.253 -13.954 1.00 44.74 C ATOM 1267 C ASN B 37 12.429 9.818 -14.381 1.00 40.65 C ATOM 1268 O ASN B 37 12.539 10.756 -15.176 1.00 39.91 O ATOM 1269 CB ASN B 37 10.523 8.523 -15.169 1.00 56.44 C ATOM 1270 CG ASN B 37 9.930 7.126 -14.836 1.00 69.79 C ATOM 1271 OD1 ASN B 37 8.698 6.987 -14.778 1.00 75.76 O ATOM 1272 ND2 ASN B 37 10.651 6.006 -14.615 1.00 74.95 N ATOM 1273 H ASN B 37 9.944 11.009 -14.125 1.00 0.00 H ATOM 1274 1HD2 ASN B 37 10.128 5.193 -14.456 1.00 0.00 H ATOM 1275 2HD2 ASN B 37 11.630 6.042 -14.646 1.00 0.00 H ATOM 1276 N LEU B 38 13.377 9.258 -13.639 1.00 37.13 N ATOM 1277 CA LEU B 38 14.754 9.545 -13.890 1.00 34.29 C ATOM 1278 C LEU B 38 15.494 8.291 -14.382 1.00 36.20 C ATOM 1279 O LEU B 38 14.985 7.158 -14.303 1.00 36.99 O ATOM 1280 CB LEU B 38 15.346 10.144 -12.595 1.00 29.62 C ATOM 1281 CG LEU B 38 15.103 11.662 -12.392 1.00 27.46 C ATOM 1282 CD1 LEU B 38 16.052 12.204 -11.359 1.00 25.56 C ATOM 1283 CD2 LEU B 38 15.240 12.373 -13.729 1.00 25.28 C ATOM 1284 H LEU B 38 13.160 8.550 -13.002 1.00 0.00 H ATOM 1285 N PRO B 39 16.660 8.440 -15.024 1.00 35.46 N ATOM 1286 CA PRO B 39 17.406 7.333 -15.576 1.00 35.99 C ATOM 1287 C PRO B 39 18.309 6.557 -14.600 1.00 33.36 C ATOM 1288 O PRO B 39 18.939 7.201 -13.713 1.00 33.22 O ATOM 1289 CB PRO B 39 18.145 8.032 -16.707 1.00 36.46 C ATOM 1290 CG PRO B 39 18.650 9.303 -16.023 1.00 35.99 C ATOM 1291 CD PRO B 39 17.359 9.698 -15.327 1.00 38.38 C ATOM 1292 N GLY B 40 18.421 5.218 -14.837 1.00 31.70 N ATOM 1293 CA GLY B 40 19.432 4.440 -14.149 1.00 25.71 C ATOM 1294 C GLY B 40 18.889 3.880 -12.866 1.00 23.58 C ATOM 1295 O GLY B 40 17.666 3.737 -12.705 1.00 25.10 O ATOM 1296 H GLY B 40 17.700 4.757 -15.306 1.00 0.00 H ATOM 1297 N ARG B 41 19.879 3.482 -12.052 1.00 22.92 N ATOM 1298 CA ARG B 41 19.591 2.794 -10.807 1.00 21.38 C ATOM 1299 C ARG B 41 19.543 3.800 -9.690 1.00 21.66 C ATOM 1300 O ARG B 41 20.328 4.707 -9.761 1.00 23.57 O ATOM 1301 CB ARG B 41 20.678 1.742 -10.471 1.00 20.60 C ATOM 1302 CG ARG B 41 20.583 0.529 -11.378 1.00 20.07 C ATOM 1303 CD ARG B 41 21.603 -0.520 -11.031 1.00 21.55 C ATOM 1304 NE ARG B 41 21.396 -1.142 -9.714 1.00 23.67 N ATOM 1305 CZ ARG B 41 20.493 -2.115 -9.387 1.00 19.90 C ATOM 1306 NH1 ARG B 41 19.602 -2.692 -10.206 1.00 16.70 N ATOM 1307 NH2 ARG B 41 20.469 -2.543 -8.140 1.00 19.69 N ATOM 1308 H ARG B 41 20.796 3.760 -12.220 1.00 0.00 H ATOM 1309 HE ARG B 41 21.979 -0.843 -8.990 1.00 0.00 H ATOM 1310 1HH1 ARG B 41 19.563 -2.374 -11.150 1.00 0.00 H ATOM 1311 2HH1 ARG B 41 18.960 -3.380 -9.874 1.00 0.00 H ATOM 1312 1HH2 ARG B 41 21.112 -2.164 -7.475 1.00 0.00 H ATOM 1313 2HH2 ARG B 41 19.827 -3.265 -7.866 1.00 0.00 H ATOM 1314 N TRP B 42 18.732 3.608 -8.674 1.00 20.35 N ATOM 1315 CA TRP B 42 18.683 4.427 -7.513 1.00 17.61 C ATOM 1316 C TRP B 42 19.077 3.679 -6.251 1.00 20.88 C ATOM 1317 O TRP B 42 19.137 2.436 -6.192 1.00 18.12 O ATOM 1318 CB TRP B 42 17.334 4.974 -7.421 1.00 12.92 C ATOM 1319 CG TRP B 42 16.222 3.980 -7.281 1.00 14.56 C ATOM 1320 CD1 TRP B 42 15.591 3.406 -8.351 1.00 16.81 C ATOM 1321 CD2 TRP B 42 15.706 3.584 -6.097 1.00 16.32 C ATOM 1322 NE1 TRP B 42 14.654 2.634 -7.841 1.00 14.36 N ATOM 1323 CE2 TRP B 42 14.693 2.699 -6.510 1.00 16.27 C ATOM 1324 CE3 TRP B 42 15.958 3.850 -4.755 1.00 13.98 C ATOM 1325 CZ2 TRP B 42 13.898 2.041 -5.585 1.00 13.74 C ATOM 1326 CZ3 TRP B 42 15.142 3.178 -3.850 1.00 17.13 C ATOM 1327 CH2 TRP B 42 14.121 2.280 -4.253 1.00 16.12 C ATOM 1328 H TRP B 42 18.176 2.824 -8.634 1.00 0.00 H ATOM 1329 HE1 TRP B 42 14.022 2.075 -8.363 1.00 0.00 H ATOM 1330 N LYS B 43 19.380 4.469 -5.238 1.00 20.92 N ATOM 1331 CA LYS B 43 19.778 3.982 -3.918 1.00 23.20 C ATOM 1332 C LYS B 43 18.836 4.581 -2.881 1.00 22.19 C ATOM 1333 O LYS B 43 18.142 5.538 -3.210 1.00 22.78 O ATOM 1334 CB LYS B 43 21.191 4.380 -3.590 1.00 28.97 C ATOM 1335 CG LYS B 43 22.283 3.429 -4.051 1.00 40.22 C ATOM 1336 CD LYS B 43 23.459 4.381 -3.877 1.00 50.65 C ATOM 1337 CE LYS B 43 24.901 3.863 -3.809 1.00 58.44 C ATOM 1338 NZ LYS B 43 25.775 5.028 -3.647 1.00 62.45 N ATOM 1339 H LYS B 43 19.329 5.432 -5.388 1.00 0.00 H ATOM 1340 1HZ LYS B 43 25.491 5.524 -2.780 1.00 0.00 H ATOM 1341 2HZ LYS B 43 26.763 4.716 -3.571 1.00 0.00 H ATOM 1342 3HZ LYS B 43 25.669 5.667 -4.462 1.00 0.00 H ATOM 1343 N PRO B 44 18.565 3.960 -1.719 1.00 23.74 N ATOM 1344 CA PRO B 44 17.532 4.419 -0.825 1.00 20.41 C ATOM 1345 C PRO B 44 18.096 5.560 0.026 1.00 22.87 C ATOM 1346 O PRO B 44 19.301 5.526 0.343 1.00 21.73 O ATOM 1347 CB PRO B 44 17.190 3.202 -0.013 1.00 20.94 C ATOM 1348 CG PRO B 44 18.474 2.418 0.073 1.00 21.71 C ATOM 1349 CD PRO B 44 19.171 2.661 -1.265 1.00 23.28 C ATOM 1350 N LYS B 45 17.281 6.578 0.415 1.00 23.23 N ATOM 1351 CA LYS B 45 17.739 7.549 1.386 1.00 22.91 C ATOM 1352 C LYS B 45 16.533 7.996 2.186 1.00 20.28 C ATOM 1353 O LYS B 45 15.415 7.953 1.729 1.00 21.46 O ATOM 1354 CB LYS B 45 18.401 8.717 0.665 1.00 28.80 C ATOM 1355 CG LYS B 45 19.377 9.372 1.641 1.00 34.28 C ATOM 1356 CD LYS B 45 19.955 10.450 0.808 1.00 39.15 C ATOM 1357 CE LYS B 45 21.291 10.888 1.300 1.00 42.04 C ATOM 1358 NZ LYS B 45 21.196 11.544 2.572 1.00 43.41 N ATOM 1359 H LYS B 45 16.369 6.660 0.076 1.00 0.00 H ATOM 1360 1HZ LYS B 45 20.535 12.342 2.477 1.00 0.00 H ATOM 1361 2HZ LYS B 45 20.865 10.875 3.297 1.00 0.00 H ATOM 1362 3HZ LYS B 45 22.145 11.896 2.806 1.00 0.00 H ATOM 1363 N MET B 46 16.743 8.377 3.422 1.00 22.28 N ATOM 1364 CA MET B 46 15.736 8.832 4.358 1.00 25.84 C ATOM 1365 C MET B 46 16.143 10.293 4.527 1.00 26.11 C ATOM 1366 O MET B 46 17.354 10.501 4.756 1.00 26.90 O ATOM 1367 CB MET B 46 15.940 8.253 5.681 1.00 33.15 C ATOM 1368 CG MET B 46 14.722 8.309 6.493 1.00 42.80 C ATOM 1369 SD MET B 46 13.847 6.892 5.826 1.00 49.10 S ATOM 1370 CE MET B 46 14.773 5.640 6.667 1.00 46.32 C ATOM 1371 H MET B 46 17.667 8.472 3.720 1.00 0.00 H ATOM 1372 N ILE B 47 15.280 11.308 4.392 1.00 23.40 N ATOM 1373 CA ILE B 47 15.708 12.677 4.648 1.00 22.58 C ATOM 1374 C ILE B 47 14.758 13.228 5.662 1.00 18.78 C ATOM 1375 O ILE B 47 13.583 12.892 5.660 1.00 18.97 O ATOM 1376 CB ILE B 47 15.697 13.593 3.374 1.00 22.26 C ATOM 1377 CG1 ILE B 47 14.417 13.581 2.682 1.00 18.76 C ATOM 1378 CG2 ILE B 47 16.699 13.074 2.370 1.00 23.58 C ATOM 1379 CD1 ILE B 47 14.300 14.548 1.503 1.00 24.66 C ATOM 1380 H ILE B 47 14.336 11.127 4.213 1.00 0.00 H ATOM 1381 N GLY B 48 15.218 14.090 6.539 1.00 17.17 N ATOM 1382 CA GLY B 48 14.318 14.626 7.538 1.00 16.02 C ATOM 1383 C GLY B 48 14.092 16.087 7.300 1.00 14.33 C ATOM 1384 O GLY B 48 15.000 16.769 6.888 1.00 17.35 O ATOM 1385 H GLY B 48 16.124 14.432 6.492 1.00 0.00 H ATOM 1386 N GLY B 49 12.871 16.475 7.523 1.00 16.78 N ATOM 1387 CA GLY B 49 12.405 17.832 7.364 1.00 17.14 C ATOM 1388 C GLY B 49 11.764 18.200 8.651 1.00 17.01 C ATOM 1389 O GLY B 49 11.899 17.530 9.659 1.00 17.24 O ATOM 1390 H GLY B 49 12.213 15.825 7.803 1.00 0.00 H ATOM 1391 N ILE B 50 10.948 19.205 8.574 1.00 17.70 N ATOM 1392 CA ILE B 50 10.461 19.824 9.767 1.00 18.35 C ATOM 1393 C ILE B 50 9.500 18.925 10.490 1.00 21.36 C ATOM 1394 O ILE B 50 9.444 18.908 11.734 1.00 19.79 O ATOM 1395 CB ILE B 50 9.866 21.239 9.334 1.00 16.14 C ATOM 1396 CG1 ILE B 50 9.610 22.082 10.580 1.00 19.67 C ATOM 1397 CG2 ILE B 50 8.506 21.194 8.682 1.00 18.33 C ATOM 1398 CD1 ILE B 50 10.858 22.317 11.427 1.00 21.86 C ATOM 1399 H ILE B 50 10.777 19.601 7.692 1.00 0.00 H ATOM 1400 N GLY B 51 8.748 18.170 9.701 1.00 19.85 N ATOM 1401 CA GLY B 51 7.773 17.320 10.343 1.00 21.31 C ATOM 1402 C GLY B 51 8.276 15.908 10.556 1.00 22.08 C ATOM 1403 O GLY B 51 7.574 15.129 11.162 1.00 24.11 O ATOM 1404 H GLY B 51 8.853 18.182 8.726 1.00 0.00 H ATOM 1405 N GLY B 52 9.441 15.477 10.149 1.00 23.89 N ATOM 1406 CA GLY B 52 9.787 14.085 10.304 1.00 26.11 C ATOM 1407 C GLY B 52 10.565 13.665 9.070 1.00 27.77 C ATOM 1408 O GLY B 52 11.165 14.486 8.374 1.00 24.25 O ATOM 1409 H GLY B 52 10.057 16.107 9.718 1.00 0.00 H ATOM 1410 N PHE B 53 10.570 12.380 8.720 1.00 29.17 N ATOM 1411 CA PHE B 53 11.430 11.801 7.660 1.00 28.44 C ATOM 1412 C PHE B 53 10.602 11.218 6.518 1.00 27.23 C ATOM 1413 O PHE B 53 9.454 10.816 6.712 1.00 26.28 O ATOM 1414 CB PHE B 53 12.330 10.670 8.207 1.00 30.33 C ATOM 1415 CG PHE B 53 13.346 11.116 9.234 1.00 32.98 C ATOM 1416 CD1 PHE B 53 12.879 11.462 10.508 1.00 37.97 C ATOM 1417 CD2 PHE B 53 14.702 11.237 8.917 1.00 35.75 C ATOM 1418 CE1 PHE B 53 13.756 11.941 11.477 1.00 36.03 C ATOM 1419 CE2 PHE B 53 15.582 11.726 9.902 1.00 38.77 C ATOM 1420 CZ PHE B 53 15.112 12.080 11.182 1.00 38.31 C ATOM 1421 H PHE B 53 9.876 11.803 9.087 1.00 0.00 H ATOM 1422 N ILE B 54 11.165 11.214 5.318 1.00 24.64 N ATOM 1423 CA ILE B 54 10.579 10.585 4.172 1.00 22.95 C ATOM 1424 C ILE B 54 11.645 9.718 3.525 1.00 24.09 C ATOM 1425 O ILE B 54 12.836 10.001 3.673 1.00 23.50 O ATOM 1426 CB ILE B 54 10.084 11.565 3.089 1.00 23.25 C ATOM 1427 CG1 ILE B 54 11.083 12.633 2.712 1.00 20.72 C ATOM 1428 CG2 ILE B 54 8.791 12.094 3.601 1.00 24.49 C ATOM 1429 CD1 ILE B 54 10.449 13.285 1.473 1.00 22.79 C ATOM 1430 H ILE B 54 12.059 11.608 5.202 1.00 0.00 H ATOM 1431 N LYS B 55 11.216 8.688 2.767 1.00 24.01 N ATOM 1432 CA LYS B 55 12.137 7.817 2.061 1.00 23.83 C ATOM 1433 C LYS B 55 12.199 8.397 0.690 1.00 19.37 C ATOM 1434 O LYS B 55 11.153 8.802 0.193 1.00 18.95 O ATOM 1435 CB LYS B 55 11.635 6.405 1.901 1.00 28.04 C ATOM 1436 CG LYS B 55 11.902 5.622 3.149 1.00 40.65 C ATOM 1437 CD LYS B 55 12.242 4.160 2.788 1.00 56.86 C ATOM 1438 CE LYS B 55 13.632 3.538 3.263 1.00 61.55 C ATOM 1439 NZ LYS B 55 14.848 4.116 2.677 1.00 60.24 N ATOM 1440 H LYS B 55 10.267 8.603 2.562 1.00 0.00 H ATOM 1441 1HZ LYS B 55 14.820 4.026 1.639 1.00 0.00 H ATOM 1442 2HZ LYS B 55 14.957 5.114 2.945 1.00 0.00 H ATOM 1443 3HZ LYS B 55 15.660 3.569 3.031 1.00 0.00 H ATOM 1444 N VAL B 56 13.365 8.524 0.100 1.00 17.38 N ATOM 1445 CA VAL B 56 13.475 9.045 -1.206 1.00 17.41 C ATOM 1446 C VAL B 56 14.426 8.115 -1.956 1.00 16.10 C ATOM 1447 O VAL B 56 15.127 7.258 -1.388 1.00 15.02 O ATOM 1448 CB VAL B 56 14.004 10.530 -1.128 1.00 14.36 C ATOM 1449 CG1 VAL B 56 12.995 11.455 -0.504 1.00 11.36 C ATOM 1450 CG2 VAL B 56 15.281 10.551 -0.371 1.00 15.95 C ATOM 1451 H VAL B 56 14.161 8.151 0.501 1.00 0.00 H ATOM 1452 N ARG B 57 14.448 8.295 -3.271 1.00 13.53 N ATOM 1453 CA ARG B 57 15.283 7.502 -4.135 1.00 14.25 C ATOM 1454 C ARG B 57 16.383 8.414 -4.598 1.00 14.67 C ATOM 1455 O ARG B 57 16.102 9.465 -5.176 1.00 16.94 O ATOM 1456 CB ARG B 57 14.504 7.022 -5.346 1.00 11.01 C ATOM 1457 CG ARG B 57 13.206 6.325 -4.921 1.00 15.78 C ATOM 1458 CD ARG B 57 12.414 5.634 -6.034 1.00 22.49 C ATOM 1459 NE ARG B 57 12.496 6.297 -7.325 1.00 25.62 N ATOM 1460 CZ ARG B 57 11.578 7.149 -7.827 1.00 31.07 C ATOM 1461 NH1 ARG B 57 10.482 7.461 -7.154 1.00 28.35 N ATOM 1462 NH2 ARG B 57 11.771 7.718 -9.044 1.00 32.66 N ATOM 1463 H ARG B 57 13.902 8.993 -3.682 1.00 0.00 H ATOM 1464 HE ARG B 57 13.317 6.146 -7.842 1.00 0.00 H ATOM 1465 1HH1 ARG B 57 10.333 7.120 -6.228 1.00 0.00 H ATOM 1466 2HH1 ARG B 57 9.855 8.113 -7.569 1.00 0.00 H ATOM 1467 1HH2 ARG B 57 12.590 7.477 -9.569 1.00 0.00 H ATOM 1468 2HH2 ARG B 57 11.089 8.332 -9.445 1.00 0.00 H ATOM 1469 N GLN B 58 17.618 8.010 -4.413 1.00 15.34 N ATOM 1470 CA GLN B 58 18.764 8.727 -4.888 1.00 15.06 C ATOM 1471 C GLN B 58 19.272 8.378 -6.264 1.00 17.92 C ATOM 1472 O GLN B 58 19.659 7.237 -6.508 1.00 21.05 O ATOM 1473 CB GLN B 58 19.835 8.526 -3.867 1.00 12.47 C ATOM 1474 CG GLN B 58 21.028 9.268 -4.273 1.00 18.42 C ATOM 1475 CD GLN B 58 22.097 9.054 -3.261 1.00 22.26 C ATOM 1476 OE1 GLN B 58 21.842 8.992 -2.077 1.00 29.25 O ATOM 1477 NE2 GLN B 58 23.352 9.005 -3.607 1.00 24.97 N ATOM 1478 H GLN B 58 17.783 7.185 -3.927 1.00 0.00 H ATOM 1479 1HE2 GLN B 58 23.963 8.873 -2.856 1.00 0.00 H ATOM 1480 2HE2 GLN B 58 23.663 9.099 -4.521 1.00 0.00 H ATOM 1481 N TYR B 59 19.364 9.312 -7.179 1.00 15.94 N ATOM 1482 CA TYR B 59 19.962 9.108 -8.471 1.00 15.99 C ATOM 1483 C TYR B 59 21.249 9.928 -8.579 1.00 21.15 C ATOM 1484 O TYR B 59 21.355 11.055 -8.050 1.00 21.01 O ATOM 1485 CB TYR B 59 19.016 9.561 -9.506 1.00 15.95 C ATOM 1486 CG TYR B 59 17.740 8.782 -9.583 1.00 16.91 C ATOM 1487 CD1 TYR B 59 16.662 9.077 -8.748 1.00 16.53 C ATOM 1488 CD2 TYR B 59 17.672 7.704 -10.471 1.00 15.62 C ATOM 1489 CE1 TYR B 59 15.486 8.342 -8.841 1.00 19.34 C ATOM 1490 CE2 TYR B 59 16.504 6.951 -10.567 1.00 15.37 C ATOM 1491 CZ TYR B 59 15.424 7.273 -9.749 1.00 19.59 C ATOM 1492 OH TYR B 59 14.273 6.529 -9.845 1.00 21.23 O ATOM 1493 H TYR B 59 18.986 10.191 -6.988 1.00 0.00 H ATOM 1494 HH TYR B 59 13.679 6.829 -9.154 1.00 0.00 H ATOM 1495 N ASP B 60 22.320 9.453 -9.215 1.00 21.37 N ATOM 1496 CA ASP B 60 23.541 10.251 -9.271 1.00 24.50 C ATOM 1497 C ASP B 60 23.890 10.771 -10.662 1.00 23.40 C ATOM 1498 O ASP B 60 23.303 10.287 -11.599 1.00 20.74 O ATOM 1499 CB ASP B 60 24.682 9.396 -8.696 1.00 29.28 C ATOM 1500 CG ASP B 60 24.577 8.965 -7.227 1.00 35.32 C ATOM 1501 OD1 ASP B 60 24.002 9.678 -6.415 1.00 35.80 O ATOM 1502 OD2 ASP B 60 25.095 7.894 -6.902 1.00 43.42 O ATOM 1503 H ASP B 60 22.341 8.557 -9.616 1.00 0.00 H ATOM 1504 N GLN B 61 24.770 11.725 -10.896 1.00 23.91 N ATOM 1505 CA GLN B 61 25.110 12.219 -12.219 1.00 25.89 C ATOM 1506 C GLN B 61 23.968 12.629 -13.102 1.00 22.72 C ATOM 1507 O GLN B 61 23.966 12.344 -14.301 1.00 24.16 O ATOM 1508 CB GLN B 61 25.954 11.209 -12.979 1.00 31.01 C ATOM 1509 CG GLN B 61 27.335 11.016 -12.402 1.00 45.26 C ATOM 1510 CD GLN B 61 28.168 12.228 -12.010 1.00 51.03 C ATOM 1511 OE1 GLN B 61 27.883 12.785 -10.967 1.00 54.32 O ATOM 1512 NE2 GLN B 61 29.260 12.699 -12.589 1.00 54.65 N ATOM 1513 H GLN B 61 25.118 12.211 -10.121 1.00 0.00 H ATOM 1514 1HE2 GLN B 61 29.558 13.465 -12.097 1.00 0.00 H ATOM 1515 2HE2 GLN B 61 29.734 12.359 -13.381 1.00 0.00 H ATOM 1516 N ILE B 62 23.047 13.409 -12.509 1.00 21.55 N ATOM 1517 CA ILE B 62 21.863 13.905 -13.201 1.00 20.33 C ATOM 1518 C ILE B 62 22.136 15.346 -13.604 1.00 19.57 C ATOM 1519 O ILE B 62 22.622 16.126 -12.778 1.00 20.31 O ATOM 1520 CB ILE B 62 20.619 13.811 -12.237 1.00 16.92 C ATOM 1521 CG1 ILE B 62 20.332 12.310 -11.854 1.00 17.13 C ATOM 1522 CG2 ILE B 62 19.407 14.470 -12.884 1.00 13.82 C ATOM 1523 CD1 ILE B 62 19.897 11.349 -12.988 1.00 13.50 C ATOM 1524 H ILE B 62 23.167 13.693 -11.571 1.00 0.00 H ATOM 1525 N LEU B 63 21.904 15.727 -14.850 1.00 20.35 N ATOM 1526 CA LEU B 63 21.949 17.134 -15.236 1.00 24.08 C ATOM 1527 C LEU B 63 20.599 17.865 -15.062 1.00 21.64 C ATOM 1528 O LEU B 63 19.441 17.422 -15.287 1.00 20.35 O ATOM 1529 CB LEU B 63 22.409 17.290 -16.694 1.00 31.78 C ATOM 1530 CG LEU B 63 22.604 18.698 -17.325 1.00 36.76 C ATOM 1531 CD1 LEU B 63 23.865 19.431 -16.856 1.00 37.57 C ATOM 1532 CD2 LEU B 63 22.772 18.468 -18.807 1.00 41.50 C ATOM 1533 H LEU B 63 21.667 15.049 -15.518 1.00 0.00 H ATOM 1534 N ILE B 64 20.805 19.072 -14.570 1.00 21.12 N ATOM 1535 CA ILE B 64 19.700 19.925 -14.219 1.00 23.43 C ATOM 1536 C ILE B 64 20.283 21.283 -14.468 1.00 22.69 C ATOM 1537 O ILE B 64 21.439 21.575 -14.166 1.00 23.69 O ATOM 1538 CB ILE B 64 19.349 19.583 -12.747 1.00 26.59 C ATOM 1539 CG1 ILE B 64 18.237 20.414 -12.241 1.00 31.73 C ATOM 1540 CG2 ILE B 64 20.547 19.807 -11.841 1.00 33.84 C ATOM 1541 CD1 ILE B 64 17.772 19.618 -10.965 1.00 35.91 C ATOM 1542 H ILE B 64 21.720 19.409 -14.424 1.00 0.00 H ATOM 1543 N GLU B 65 19.525 22.044 -15.224 1.00 23.79 N ATOM 1544 CA GLU B 65 19.881 23.426 -15.496 1.00 23.79 C ATOM 1545 C GLU B 65 19.067 24.319 -14.533 1.00 21.13 C ATOM 1546 O GLU B 65 17.860 24.190 -14.368 1.00 21.92 O ATOM 1547 CB GLU B 65 19.564 23.518 -16.934 1.00 25.32 C ATOM 1548 CG GLU B 65 20.156 24.712 -17.541 1.00 41.44 C ATOM 1549 CD GLU B 65 19.562 24.939 -18.921 1.00 48.70 C ATOM 1550 OE1 GLU B 65 19.771 24.073 -19.784 1.00 53.10 O ATOM 1551 OE2 GLU B 65 18.873 25.957 -19.094 1.00 51.27 O ATOM 1552 H GLU B 65 18.682 21.678 -15.581 1.00 0.00 H ATOM 1553 N ILE B 66 19.702 25.199 -13.784 1.00 19.72 N ATOM 1554 CA ILE B 66 19.083 25.985 -12.714 1.00 20.44 C ATOM 1555 C ILE B 66 19.293 27.373 -13.216 1.00 25.65 C ATOM 1556 O ILE B 66 20.445 27.816 -13.294 1.00 22.25 O ATOM 1557 CB ILE B 66 19.844 25.768 -11.424 1.00 19.31 C ATOM 1558 CG1 ILE B 66 19.841 24.227 -11.147 1.00 22.73 C ATOM 1559 CG2 ILE B 66 19.265 26.596 -10.305 1.00 15.04 C ATOM 1560 CD1 ILE B 66 20.924 23.885 -10.169 1.00 26.89 C ATOM 1561 H ILE B 66 20.660 25.321 -13.901 1.00 0.00 H ATOM 1562 N CYS B 67 18.232 28.020 -13.693 1.00 30.30 N ATOM 1563 CA CYS B 67 18.362 29.389 -14.205 1.00 34.25 C ATOM 1564 C CYS B 67 19.456 29.525 -15.259 1.00 33.12 C ATOM 1565 O CYS B 67 20.329 30.404 -15.176 1.00 35.22 O ATOM 1566 CB CYS B 67 18.670 30.355 -13.058 1.00 36.20 C ATOM 1567 SG CYS B 67 17.087 31.127 -12.844 1.00 50.16 S ATOM 1568 H CYS B 67 17.358 27.556 -13.691 1.00 0.00 H ATOM 1569 N GLY B 68 19.469 28.573 -16.190 1.00 32.08 N ATOM 1570 CA GLY B 68 20.440 28.550 -17.280 1.00 31.51 C ATOM 1571 C GLY B 68 21.832 28.086 -16.870 1.00 32.18 C ATOM 1572 O GLY B 68 22.699 28.138 -17.735 1.00 34.76 O ATOM 1573 H GLY B 68 18.854 27.817 -16.105 1.00 0.00 H ATOM 1574 N HIS B 69 22.143 27.674 -15.611 1.00 30.76 N ATOM 1575 CA HIS B 69 23.475 27.188 -15.210 1.00 32.64 C ATOM 1576 C HIS B 69 23.329 25.676 -15.011 1.00 30.31 C ATOM 1577 O HIS B 69 22.473 25.255 -14.233 1.00 30.40 O ATOM 1578 CB HIS B 69 23.987 27.741 -13.864 1.00 36.09 C ATOM 1579 CG HIS B 69 24.015 29.253 -13.745 1.00 43.97 C ATOM 1580 ND1 HIS B 69 25.007 30.111 -13.955 1.00 49.57 N ATOM 1581 CD2 HIS B 69 22.904 30.001 -13.441 1.00 49.80 C ATOM 1582 CE1 HIS B 69 24.544 31.344 -13.813 1.00 52.84 C ATOM 1583 NE2 HIS B 69 23.268 31.264 -13.504 1.00 54.09 N ATOM 1584 H HIS B 69 21.436 27.616 -14.935 1.00 0.00 H ATOM 1585 HD1 HIS B 69 25.956 29.873 -13.983 1.00 0.00 H ATOM 1586 HE2 HIS B 69 22.625 32.004 -13.459 1.00 0.00 H ATOM 1587 N LYS B 70 24.102 24.857 -15.743 1.00 28.66 N ATOM 1588 CA LYS B 70 24.062 23.393 -15.753 1.00 29.19 C ATOM 1589 C LYS B 70 24.806 22.925 -14.535 1.00 27.38 C ATOM 1590 O LYS B 70 25.896 23.398 -14.207 1.00 29.88 O ATOM 1591 CB LYS B 70 24.728 22.849 -17.039 1.00 32.38 C ATOM 1592 CG LYS B 70 23.828 23.141 -18.236 1.00 42.61 C ATOM 1593 CD LYS B 70 23.857 22.176 -19.441 1.00 50.98 C ATOM 1594 CE LYS B 70 22.583 22.258 -20.383 1.00 57.88 C ATOM 1595 NZ LYS B 70 21.300 21.720 -19.876 1.00 60.79 N ATOM 1596 H LYS B 70 24.822 25.268 -16.269 1.00 0.00 H ATOM 1597 1HZ LYS B 70 21.395 20.713 -19.637 1.00 0.00 H ATOM 1598 2HZ LYS B 70 20.979 22.246 -19.037 1.00 0.00 H ATOM 1599 3HZ LYS B 70 20.580 21.822 -20.620 1.00 0.00 H ATOM 1600 N ALA B 71 24.179 22.033 -13.826 1.00 21.75 N ATOM 1601 CA ALA B 71 24.831 21.470 -12.688 1.00 19.06 C ATOM 1602 C ALA B 71 24.722 19.959 -12.973 1.00 20.89 C ATOM 1603 O ALA B 71 23.821 19.584 -13.736 1.00 20.76 O ATOM 1604 CB ALA B 71 24.057 21.875 -11.456 1.00 16.21 C ATOM 1605 H ALA B 71 23.317 21.654 -14.124 1.00 0.00 H ATOM 1606 N ILE B 72 25.585 19.066 -12.454 1.00 19.22 N ATOM 1607 CA ILE B 72 25.420 17.634 -12.668 1.00 16.43 C ATOM 1608 C ILE B 72 25.679 17.008 -11.318 1.00 14.76 C ATOM 1609 O ILE B 72 26.750 17.144 -10.782 1.00 14.84 O ATOM 1610 CB ILE B 72 26.417 17.073 -13.700 1.00 18.52 C ATOM 1611 CG1 ILE B 72 26.250 17.768 -15.049 1.00 18.16 C ATOM 1612 CG2 ILE B 72 26.175 15.554 -13.786 1.00 17.15 C ATOM 1613 CD1 ILE B 72 27.279 17.438 -16.129 1.00 18.80 C ATOM 1614 H ILE B 72 26.346 19.398 -11.925 1.00 0.00 H ATOM 1615 N GLY B 73 24.759 16.305 -10.706 1.00 14.05 N ATOM 1616 CA GLY B 73 25.002 15.786 -9.383 1.00 15.41 C ATOM 1617 C GLY B 73 23.873 14.898 -8.975 1.00 14.93 C ATOM 1618 O GLY B 73 23.100 14.454 -9.804 1.00 17.92 O ATOM 1619 H GLY B 73 23.881 16.162 -11.156 1.00 0.00 H ATOM 1620 N THR B 74 23.844 14.620 -7.706 1.00 15.68 N ATOM 1621 CA THR B 74 22.897 13.758 -7.070 1.00 16.62 C ATOM 1622 C THR B 74 21.607 14.476 -6.857 1.00 17.55 C ATOM 1623 O THR B 74 21.597 15.565 -6.269 1.00 19.93 O ATOM 1624 CB THR B 74 23.464 13.339 -5.754 1.00 17.98 C ATOM 1625 OG1 THR B 74 24.614 12.569 -6.117 1.00 22.44 O ATOM 1626 CG2 THR B 74 22.461 12.648 -4.844 1.00 21.92 C ATOM 1627 H THR B 74 24.435 15.100 -7.090 1.00 0.00 H ATOM 1628 HG1 THR B 74 25.268 13.067 -6.615 1.00 0.00 H ATOM 1629 N VAL B 75 20.528 13.811 -7.199 1.00 12.14 N ATOM 1630 CA VAL B 75 19.190 14.328 -7.082 1.00 14.62 C ATOM 1631 C VAL B 75 18.414 13.227 -6.376 1.00 17.90 C ATOM 1632 O VAL B 75 18.551 12.043 -6.707 1.00 19.47 O ATOM 1633 CB VAL B 75 18.759 14.565 -8.512 1.00 18.82 C ATOM 1634 CG1 VAL B 75 17.298 14.497 -8.600 1.00 23.12 C ATOM 1635 CG2 VAL B 75 19.154 15.957 -8.986 1.00 20.37 C ATOM 1636 H VAL B 75 20.619 12.888 -7.529 1.00 0.00 H ATOM 1637 N LEU B 76 17.667 13.599 -5.348 1.00 14.36 N ATOM 1638 CA LEU B 76 16.747 12.709 -4.638 1.00 14.76 C ATOM 1639 C LEU B 76 15.322 12.964 -5.173 1.00 17.52 C ATOM 1640 O LEU B 76 14.951 14.092 -5.517 1.00 16.92 O ATOM 1641 CB LEU B 76 16.831 12.976 -3.099 1.00 11.56 C ATOM 1642 CG LEU B 76 18.198 13.105 -2.416 1.00 14.05 C ATOM 1643 CD1 LEU B 76 17.951 13.417 -0.911 1.00 12.92 C ATOM 1644 CD2 LEU B 76 19.028 11.857 -2.604 1.00 13.60 C ATOM 1645 H LEU B 76 17.725 14.538 -5.052 1.00 0.00 H ATOM 1646 N VAL B 77 14.540 11.927 -5.380 1.00 14.33 N ATOM 1647 CA VAL B 77 13.204 11.985 -5.870 1.00 17.45 C ATOM 1648 C VAL B 77 12.304 11.347 -4.840 1.00 16.56 C ATOM 1649 O VAL B 77 12.538 10.239 -4.388 1.00 16.79 O ATOM 1650 CB VAL B 77 13.068 11.217 -7.196 1.00 19.01 C ATOM 1651 CG1 VAL B 77 11.647 11.165 -7.712 1.00 17.70 C ATOM 1652 CG2 VAL B 77 13.918 11.968 -8.201 1.00 18.56 C ATOM 1653 H VAL B 77 14.943 11.058 -5.207 1.00 0.00 H ATOM 1654 N GLY B 78 11.241 11.990 -4.430 1.00 16.33 N ATOM 1655 CA GLY B 78 10.316 11.318 -3.547 1.00 18.04 C ATOM 1656 C GLY B 78 9.176 12.258 -3.255 1.00 19.46 C ATOM 1657 O GLY B 78 8.946 13.142 -4.075 1.00 17.85 O ATOM 1658 H GLY B 78 11.034 12.901 -4.765 1.00 0.00 H ATOM 1659 N PRO B 79 8.430 12.129 -2.186 1.00 19.01 N ATOM 1660 CA PRO B 79 7.179 12.835 -2.026 1.00 22.30 C ATOM 1661 C PRO B 79 7.271 14.209 -1.369 1.00 24.54 C ATOM 1662 O PRO B 79 6.641 14.581 -0.359 1.00 27.39 O ATOM 1663 CB PRO B 79 6.317 11.828 -1.290 1.00 24.58 C ATOM 1664 CG PRO B 79 7.271 11.100 -0.387 1.00 23.72 C ATOM 1665 CD PRO B 79 8.468 10.953 -1.332 1.00 20.39 C ATOM 1666 N THR B 80 8.004 15.066 -2.066 1.00 21.60 N ATOM 1667 CA THR B 80 8.125 16.415 -1.633 1.00 20.37 C ATOM 1668 C THR B 80 7.073 17.107 -2.501 1.00 20.42 C ATOM 1669 O THR B 80 6.796 16.790 -3.676 1.00 22.18 O ATOM 1670 CB THR B 80 9.522 16.934 -1.904 1.00 17.76 C ATOM 1671 OG1 THR B 80 9.352 18.271 -1.478 1.00 18.38 O ATOM 1672 CG2 THR B 80 10.030 16.885 -3.330 1.00 12.11 C ATOM 1673 H THR B 80 8.261 14.866 -2.999 1.00 0.00 H ATOM 1674 HG1 THR B 80 9.740 18.401 -0.606 1.00 0.00 H ATOM 1675 N PRO B 81 6.394 18.059 -1.876 1.00 20.83 N ATOM 1676 CA PRO B 81 5.479 18.932 -2.572 1.00 19.50 C ATOM 1677 C PRO B 81 6.080 20.126 -3.277 1.00 20.08 C ATOM 1678 O PRO B 81 5.313 20.850 -3.900 1.00 24.22 O ATOM 1679 CB PRO B 81 4.550 19.325 -1.536 1.00 19.99 C ATOM 1680 CG PRO B 81 5.412 19.381 -0.320 1.00 20.57 C ATOM 1681 CD PRO B 81 6.393 18.251 -0.436 1.00 19.11 C ATOM 1682 N VAL B 82 7.388 20.399 -3.221 1.00 19.22 N ATOM 1683 CA VAL B 82 8.034 21.544 -3.880 1.00 18.07 C ATOM 1684 C VAL B 82 9.350 20.963 -4.341 1.00 13.82 C ATOM 1685 O VAL B 82 9.934 20.191 -3.604 1.00 12.62 O ATOM 1686 CB VAL B 82 8.582 22.756 -3.047 1.00 22.42 C ATOM 1687 CG1 VAL B 82 8.109 24.070 -3.690 1.00 26.57 C ATOM 1688 CG2 VAL B 82 8.357 22.487 -1.613 1.00 18.61 C ATOM 1689 H VAL B 82 7.998 19.740 -2.819 1.00 0.00 H ATOM 1690 N ASN B 83 9.947 21.359 -5.468 1.00 13.37 N ATOM 1691 CA ASN B 83 11.243 20.905 -5.886 1.00 14.61 C ATOM 1692 C ASN B 83 12.160 21.809 -5.113 1.00 15.85 C ATOM 1693 O ASN B 83 11.894 23.014 -5.069 1.00 18.21 O ATOM 1694 CB ASN B 83 11.429 21.125 -7.386 1.00 15.42 C ATOM 1695 CG ASN B 83 10.475 20.229 -8.155 1.00 19.60 C ATOM 1696 OD1 ASN B 83 10.417 19.000 -7.964 1.00 17.68 O ATOM 1697 ND2 ASN B 83 9.650 20.831 -9.001 1.00 17.68 N ATOM 1698 H ASN B 83 9.475 21.999 -6.034 1.00 0.00 H ATOM 1699 1HD2 ASN B 83 9.021 20.271 -9.489 1.00 0.00 H ATOM 1700 2HD2 ASN B 83 9.746 21.797 -9.095 1.00 0.00 H ATOM 1701 N ILE B 84 13.187 21.307 -4.462 1.00 15.08 N ATOM 1702 CA ILE B 84 14.109 22.054 -3.653 1.00 14.46 C ATOM 1703 C ILE B 84 15.504 21.848 -4.205 1.00 17.20 C ATOM 1704 O ILE B 84 15.969 20.671 -4.252 1.00 17.10 O ATOM 1705 CB ILE B 84 13.937 21.477 -2.250 1.00 17.69 C ATOM 1706 CG1 ILE B 84 12.602 21.870 -1.617 1.00 13.17 C ATOM 1707 CG2 ILE B 84 15.112 21.931 -1.447 1.00 18.50 C ATOM 1708 CD1 ILE B 84 12.305 20.802 -0.570 1.00 14.66 C ATOM 1709 H ILE B 84 13.309 20.337 -4.457 1.00 0.00 H ATOM 1710 N ILE B 85 16.214 22.938 -4.584 1.00 14.04 N ATOM 1711 CA ILE B 85 17.600 22.810 -4.979 1.00 12.31 C ATOM 1712 C ILE B 85 18.415 22.986 -3.692 1.00 14.92 C ATOM 1713 O ILE B 85 18.309 24.026 -3.065 1.00 18.82 O ATOM 1714 CB ILE B 85 17.960 23.874 -6.051 1.00 14.46 C ATOM 1715 CG1 ILE B 85 17.066 23.726 -7.314 1.00 14.70 C ATOM 1716 CG2 ILE B 85 19.430 23.705 -6.414 1.00 8.51 C ATOM 1717 CD1 ILE B 85 16.962 22.303 -7.963 1.00 15.15 C ATOM 1718 H ILE B 85 15.804 23.830 -4.496 1.00 0.00 H ATOM 1719 N GLY B 86 19.216 22.037 -3.206 1.00 11.89 N ATOM 1720 CA GLY B 86 19.867 22.194 -1.941 1.00 8.85 C ATOM 1721 C GLY B 86 21.307 22.463 -2.167 1.00 7.26 C ATOM 1722 O GLY B 86 21.766 22.658 -3.287 1.00 10.87 O ATOM 1723 H GLY B 86 19.370 21.254 -3.760 1.00 0.00 H ATOM 1724 N ARG B 87 22.094 22.441 -1.123 1.00 8.13 N ATOM 1725 CA ARG B 87 23.471 22.849 -1.184 1.00 7.97 C ATOM 1726 C ARG B 87 24.357 22.126 -2.108 1.00 13.47 C ATOM 1727 O ARG B 87 25.313 22.674 -2.657 1.00 14.35 O ATOM 1728 CB ARG B 87 24.019 22.772 0.180 1.00 10.47 C ATOM 1729 CG ARG B 87 23.342 23.805 1.090 1.00 7.36 C ATOM 1730 CD ARG B 87 24.030 23.876 2.404 1.00 10.64 C ATOM 1731 NE ARG B 87 24.067 22.617 3.134 1.00 12.84 N ATOM 1732 CZ ARG B 87 25.104 21.753 3.199 1.00 15.69 C ATOM 1733 NH1 ARG B 87 26.263 21.911 2.601 1.00 11.72 N ATOM 1734 NH2 ARG B 87 24.995 20.653 3.902 1.00 16.99 N ATOM 1735 H ARG B 87 21.709 22.137 -0.275 1.00 0.00 H ATOM 1736 HE ARG B 87 23.270 22.336 3.621 1.00 0.00 H ATOM 1737 1HH1 ARG B 87 26.415 22.719 2.036 1.00 0.00 H ATOM 1738 2HH1 ARG B 87 26.976 21.212 2.673 1.00 0.00 H ATOM 1739 1HH2 ARG B 87 24.177 20.497 4.445 1.00 0.00 H ATOM 1740 2HH2 ARG B 87 25.758 20.008 3.961 1.00 0.00 H ATOM 1741 N ASN B 88 24.077 20.876 -2.361 1.00 15.20 N ATOM 1742 CA ASN B 88 24.961 20.126 -3.261 1.00 15.22 C ATOM 1743 C ASN B 88 24.997 20.751 -4.664 1.00 13.14 C ATOM 1744 O ASN B 88 26.044 20.725 -5.306 1.00 16.96 O ATOM 1745 CB ASN B 88 24.485 18.627 -3.338 1.00 16.69 C ATOM 1746 CG ASN B 88 23.188 18.358 -4.078 1.00 11.75 C ATOM 1747 OD1 ASN B 88 22.140 18.921 -3.781 1.00 13.25 O ATOM 1748 ND2 ASN B 88 23.213 17.497 -5.082 1.00 14.49 N ATOM 1749 H ASN B 88 23.314 20.452 -1.914 1.00 0.00 H ATOM 1750 1HD2 ASN B 88 22.413 17.341 -5.613 1.00 0.00 H ATOM 1751 2HD2 ASN B 88 24.051 17.026 -5.261 1.00 0.00 H ATOM 1752 N LEU B 89 23.885 21.278 -5.204 1.00 12.48 N ATOM 1753 CA LEU B 89 23.879 21.875 -6.515 1.00 11.06 C ATOM 1754 C LEU B 89 24.036 23.351 -6.461 1.00 13.27 C ATOM 1755 O LEU B 89 24.578 23.921 -7.391 1.00 13.94 O ATOM 1756 CB LEU B 89 22.639 21.517 -7.204 1.00 10.70 C ATOM 1757 CG LEU B 89 22.540 19.978 -7.501 1.00 13.72 C ATOM 1758 CD1 LEU B 89 21.313 19.761 -8.353 1.00 15.90 C ATOM 1759 CD2 LEU B 89 23.694 19.419 -8.290 1.00 15.11 C ATOM 1760 H LEU B 89 23.045 21.286 -4.687 1.00 0.00 H ATOM 1761 N LEU B 90 23.685 23.937 -5.334 1.00 14.14 N ATOM 1762 CA LEU B 90 23.936 25.352 -5.156 1.00 15.93 C ATOM 1763 C LEU B 90 25.431 25.591 -5.110 1.00 17.48 C ATOM 1764 O LEU B 90 25.880 26.579 -5.706 1.00 17.13 O ATOM 1765 CB LEU B 90 23.272 25.905 -3.873 1.00 16.18 C ATOM 1766 CG LEU B 90 21.726 25.877 -3.707 1.00 17.42 C ATOM 1767 CD1 LEU B 90 21.363 26.263 -2.256 1.00 11.90 C ATOM 1768 CD2 LEU B 90 21.067 26.743 -4.788 1.00 15.65 C ATOM 1769 H LEU B 90 23.191 23.435 -4.662 1.00 0.00 H ATOM 1770 N THR B 91 26.328 24.764 -4.567 1.00 19.37 N ATOM 1771 CA THR B 91 27.726 25.115 -4.633 1.00 19.36 C ATOM 1772 C THR B 91 28.275 24.984 -6.020 1.00 17.67 C ATOM 1773 O THR B 91 29.163 25.775 -6.402 1.00 17.05 O ATOM 1774 CB THR B 91 28.566 24.254 -3.678 1.00 21.44 C ATOM 1775 OG1 THR B 91 28.758 22.987 -4.238 1.00 32.35 O ATOM 1776 CG2 THR B 91 27.840 24.006 -2.405 1.00 15.28 C ATOM 1777 H THR B 91 26.047 23.963 -4.084 1.00 0.00 H ATOM 1778 HG1 THR B 91 29.611 23.017 -4.691 1.00 0.00 H ATOM 1779 N GLN B 92 27.749 24.022 -6.800 1.00 16.27 N ATOM 1780 CA GLN B 92 28.254 23.851 -8.144 1.00 17.85 C ATOM 1781 C GLN B 92 28.113 25.028 -9.031 1.00 17.56 C ATOM 1782 O GLN B 92 29.064 25.367 -9.723 1.00 21.92 O ATOM 1783 CB GLN B 92 27.603 22.784 -8.959 1.00 18.74 C ATOM 1784 CG GLN B 92 27.925 21.415 -8.431 1.00 17.43 C ATOM 1785 CD GLN B 92 27.535 20.373 -9.464 1.00 22.56 C ATOM 1786 OE1 GLN B 92 27.358 20.610 -10.667 1.00 20.49 O ATOM 1787 NE2 GLN B 92 27.449 19.137 -8.988 1.00 23.21 N ATOM 1788 H GLN B 92 27.073 23.423 -6.440 1.00 0.00 H ATOM 1789 1HE2 GLN B 92 27.338 18.409 -9.630 1.00 0.00 H ATOM 1790 2HE2 GLN B 92 27.591 18.994 -8.038 1.00 0.00 H ATOM 1791 N ILE B 93 26.939 25.677 -8.944 1.00 19.07 N ATOM 1792 CA ILE B 93 26.674 26.860 -9.760 1.00 19.04 C ATOM 1793 C ILE B 93 27.277 28.096 -9.081 1.00 21.52 C ATOM 1794 O ILE B 93 27.114 29.193 -9.588 1.00 24.02 O ATOM 1795 CB ILE B 93 25.134 27.069 -10.055 1.00 16.30 C ATOM 1796 CG1 ILE B 93 24.309 27.454 -8.883 1.00 18.11 C ATOM 1797 CG2 ILE B 93 24.597 25.756 -10.634 1.00 13.87 C ATOM 1798 CD1 ILE B 93 22.960 27.861 -9.518 1.00 20.24 C ATOM 1799 H ILE B 93 26.232 25.310 -8.371 1.00 0.00 H ATOM 1800 N GLY B 94 28.021 27.996 -7.972 1.00 23.69 N ATOM 1801 CA GLY B 94 28.685 29.104 -7.312 1.00 20.49 C ATOM 1802 C GLY B 94 27.816 29.997 -6.459 1.00 23.08 C ATOM 1803 O GLY B 94 28.292 31.088 -6.147 1.00 25.20 O ATOM 1804 H GLY B 94 28.154 27.105 -7.584 1.00 0.00 H ATOM 1805 N CYS B 95 26.650 29.566 -5.979 1.00 20.12 N ATOM 1806 CA CYS B 95 25.769 30.385 -5.185 1.00 20.37 C ATOM 1807 C CYS B 95 26.255 30.625 -3.770 1.00 20.10 C ATOM 1808 O CYS B 95 26.800 29.715 -3.143 1.00 21.98 O ATOM 1809 CB CYS B 95 24.425 29.703 -5.215 1.00 15.91 C ATOM 1810 SG CYS B 95 23.005 30.554 -4.478 1.00 23.80 S ATOM 1811 H CYS B 95 26.425 28.623 -6.091 1.00 0.00 H ATOM 1812 N THR B 96 26.170 31.853 -3.237 1.00 19.66 N ATOM 1813 CA THR B 96 26.549 32.160 -1.882 1.00 20.22 C ATOM 1814 C THR B 96 25.464 33.016 -1.265 1.00 17.71 C ATOM 1815 O THR B 96 24.606 33.542 -1.983 1.00 17.84 O ATOM 1816 CB THR B 96 27.912 32.955 -1.769 1.00 21.83 C ATOM 1817 OG1 THR B 96 27.860 34.107 -2.639 1.00 24.19 O ATOM 1818 CG2 THR B 96 29.133 32.127 -2.178 1.00 24.49 C ATOM 1819 H THR B 96 25.813 32.603 -3.764 1.00 0.00 H ATOM 1820 HG1 THR B 96 28.105 33.833 -3.541 1.00 0.00 H ATOM 1821 N LEU B 97 25.508 33.115 0.068 1.00 17.86 N ATOM 1822 CA LEU B 97 24.663 34.004 0.882 1.00 19.51 C ATOM 1823 C LEU B 97 25.517 35.193 1.266 1.00 17.79 C ATOM 1824 O LEU B 97 26.658 35.085 1.683 1.00 19.84 O ATOM 1825 CB LEU B 97 24.216 33.384 2.199 1.00 21.08 C ATOM 1826 CG LEU B 97 23.157 32.345 2.236 1.00 19.59 C ATOM 1827 CD1 LEU B 97 23.000 31.731 3.586 1.00 21.25 C ATOM 1828 CD2 LEU B 97 21.890 33.052 1.883 1.00 21.60 C ATOM 1829 H LEU B 97 26.158 32.557 0.538 1.00 0.00 H ATOM 1830 N ASN B 98 24.983 36.372 1.091 1.00 20.22 N ATOM 1831 CA ASN B 98 25.769 37.569 1.334 1.00 21.37 C ATOM 1832 C ASN B 98 25.023 38.472 2.219 1.00 20.88 C ATOM 1833 O ASN B 98 23.822 38.601 2.035 1.00 19.74 O ATOM 1834 CB ASN B 98 25.998 38.328 0.081 1.00 20.56 C ATOM 1835 CG ASN B 98 26.962 37.510 -0.735 1.00 24.48 C ATOM 1836 OD1 ASN B 98 28.138 37.764 -0.808 1.00 29.13 O ATOM 1837 ND2 ASN B 98 26.525 36.451 -1.373 1.00 17.49 N ATOM 1838 H ASN B 98 24.031 36.492 0.936 1.00 0.00 H ATOM 1839 1HD2 ASN B 98 27.143 35.930 -1.942 1.00 0.00 H ATOM 1840 2HD2 ASN B 98 25.607 36.193 -1.197 1.00 0.00 H ATOM 1841 N PHE B 99 25.671 38.993 3.219 1.00 25.69 N ATOM 1842 CA PHE B 99 25.068 40.048 4.028 1.00 26.93 C ATOM 1843 C PHE B 99 26.192 40.847 4.666 1.00 29.26 C ATOM 1844 O PHE B 99 25.929 41.665 5.512 1.00 31.62 O ATOM 1845 CB PHE B 99 24.143 39.499 5.136 1.00 23.95 C ATOM 1846 CG PHE B 99 24.696 38.603 6.206 1.00 24.48 C ATOM 1847 CD1 PHE B 99 24.760 37.261 5.951 1.00 22.73 C ATOM 1848 CD2 PHE B 99 25.028 39.105 7.455 1.00 24.84 C ATOM 1849 CE1 PHE B 99 25.142 36.424 6.982 1.00 25.64 C ATOM 1850 CE2 PHE B 99 25.411 38.252 8.481 1.00 27.55 C ATOM 1851 CZ PHE B 99 25.465 36.890 8.247 1.00 26.52 C ATOM 1852 OXT PHE B 99 27.366 40.623 4.383 1.00 33.49 O ATOM 1853 H PHE B 99 26.610 38.762 3.363 1.00 0.00 H TER 1854 PHE B 99 HETATM 1855 C1 RIT 301 16.662 17.790 1.494 1.00 25.90 C HETATM 1856 C2 RIT 301 16.229 17.935 2.784 1.00 22.61 C HETATM 1857 S3 RIT 301 17.345 17.324 4.036 1.00 37.28 S HETATM 1858 C4 RIT 301 18.316 17.113 2.555 1.00 25.37 C HETATM 1859 N5 RIT 301 17.867 17.366 1.377 1.00 26.82 N HETATM 1860 C6 RIT 301 15.073 18.417 3.489 1.00 25.01 C HETATM 1861 O7 RIT 301 15.186 19.813 3.708 1.00 23.27 O HETATM 1862 C10 RIT 301 14.216 20.602 4.339 1.00 20.46 C HETATM 1863 N11 RIT 301 14.650 21.872 4.525 1.00 21.07 N HETATM 1864 C12 RIT 301 13.873 22.912 5.228 1.00 20.84 C HETATM 1865 C13 RIT 301 13.503 24.140 4.392 1.00 14.80 C HETATM 1866 C14 RIT 301 12.672 23.806 3.171 1.00 16.63 C HETATM 1867 C15 RIT 301 11.140 23.572 3.315 1.00 17.71 C HETATM 1868 C18 RIT 301 9.960 24.298 5.348 1.00 20.01 C HETATM 1869 C19 RIT 301 9.274 25.515 5.996 1.00 16.74 C HETATM 1870 N20 RIT 301 7.906 25.680 5.503 1.00 16.74 N HETATM 1871 C21 RIT 301 7.665 26.518 4.481 1.00 19.37 C HETATM 1872 O24 RIT 301 13.103 20.170 4.660 1.00 19.88 O HETATM 1873 C26 RIT 301 14.261 23.243 6.671 1.00 20.89 C HETATM 1874 C28 RIT 301 14.816 22.225 7.534 1.00 23.55 C HETATM 1875 C31 RIT 301 13.799 21.708 8.344 1.00 22.42 C HETATM 1876 C32 RIT 301 14.098 20.603 9.157 1.00 27.29 C HETATM 1877 C33 RIT 301 15.374 20.013 9.171 1.00 23.46 C HETATM 1878 C34 RIT 301 16.392 20.566 8.364 1.00 23.55 C HETATM 1879 C35 RIT 301 16.115 21.668 7.549 1.00 22.31 C HETATM 1880 O41 RIT 301 14.754 24.664 3.978 1.00 15.07 O HETATM 1881 C44 RIT 301 10.569 23.586 1.929 1.00 16.65 C HETATM 1882 C45 RIT 301 9.254 22.978 2.001 1.00 17.33 C HETATM 1883 C48 RIT 301 8.149 23.845 2.018 1.00 16.59 C HETATM 1884 C49 RIT 301 6.836 23.335 2.041 1.00 15.14 C HETATM 1885 C50 RIT 301 6.660 21.949 2.026 1.00 16.63 C HETATM 1886 C51 RIT 301 7.756 21.090 2.003 1.00 15.02 C HETATM 1887 C52 RIT 301 9.059 21.593 1.992 1.00 11.94 C HETATM 1888 N58 RIT 301 10.469 24.554 4.137 1.00 18.81 N HETATM 1889 O61 RIT 301 9.968 23.159 5.858 1.00 17.30 O HETATM 1890 C62 RIT 301 9.255 25.567 7.557 1.00 17.69 C HETATM 1891 C64 RIT 301 10.596 25.275 8.282 1.00 17.97 C HETATM 1892 C68 RIT 301 8.565 26.841 8.095 1.00 11.98 C HETATM 1893 N74 RIT 301 6.423 26.400 3.958 1.00 22.34 N HETATM 1894 C75 RIT 301 5.969 27.345 2.938 1.00 22.61 C HETATM 1895 O76 RIT 301 8.471 27.427 4.192 1.00 17.30 O HETATM 1896 C77 RIT 301 5.910 26.849 1.559 1.00 24.53 C HETATM 1897 C80 RIT 301 7.024 27.012 0.784 1.00 25.95 C HETATM 1898 S81 RIT 301 6.639 26.257 -0.785 1.00 28.31 S HETATM 1899 C82 RIT 301 5.087 25.736 -0.124 1.00 30.65 C HETATM 1900 N83 RIT 301 4.871 26.263 1.044 1.00 28.12 N HETATM 1901 C85 RIT 301 4.497 24.886 -1.046 1.00 36.11 C HETATM 1902 C86 RIT 301 4.139 25.131 -2.506 1.00 37.18 C HETATM 1903 C90 RIT 301 3.245 24.373 -0.462 1.00 36.27 C HETATM 1904 C95 RIT 301 5.484 25.508 4.240 1.00 19.68 C HETATM 1905 O HOH 1 10.725 20.624 5.870 1.00 12.67 O HETATM 1906 1H HOH 1 10.618 21.611 5.875 1.00 0.00 H HETATM 1907 2H HOH 1 11.547 20.566 5.307 1.00 0.00 H HETATM 1908 O HOH 2 21.776 23.154 4.776 1.00 17.14 O HETATM 1909 1H HOH 2 21.652 24.102 4.592 1.00 0.00 H HETATM 1910 2H HOH 2 21.903 22.820 3.884 1.00 0.00 H HETATM 1911 O HOH 3 8.272 38.594 10.899 1.00 16.71 O HETATM 1912 1H HOH 3 8.298 39.561 10.899 1.00 0.00 H HETATM 1913 2H HOH 3 8.230 38.403 9.959 1.00 0.00 H HETATM 1914 O HOH 4 25.894 16.239 -6.045 1.00 16.22 O HETATM 1915 1H HOH 4 26.322 17.063 -5.742 1.00 0.00 H HETATM 1916 2H HOH 4 26.521 15.959 -6.723 1.00 0.00 H HETATM 1917 O HOH 5 9.545 28.751 1.862 1.00 19.65 O HETATM 1918 1H HOH 5 10.089 29.479 1.514 1.00 0.00 H HETATM 1919 2H HOH 5 9.533 28.108 1.155 1.00 0.00 H HETATM 1920 O HOH 6 11.185 30.425 0.768 1.00 18.18 O HETATM 1921 1H HOH 6 11.700 31.199 1.038 1.00 0.00 H HETATM 1922 2H HOH 6 11.691 30.086 0.029 1.00 0.00 H HETATM 1923 O HOH 7 8.653 33.399 11.919 1.00 17.16 O HETATM 1924 1H HOH 7 8.636 34.340 12.107 1.00 0.00 H HETATM 1925 2H HOH 7 8.259 33.323 11.047 1.00 0.00 H HETATM 1926 O HOH 8 17.089 42.320 2.448 1.00 20.96 O HETATM 1927 1H HOH 8 16.956 43.253 2.644 1.00 0.00 H HETATM 1928 2H HOH 8 17.111 42.299 1.495 1.00 0.00 H HETATM 1929 O HOH 9 29.166 16.019 -11.653 1.00 22.58 O HETATM 1930 1H HOH 9 28.600 16.782 -11.454 1.00 0.00 H HETATM 1931 2H HOH 9 28.671 15.547 -12.314 1.00 0.00 H HETATM 1932 O HOH 10 12.589 21.137 20.935 1.00 30.84 O HETATM 1933 1H HOH 10 12.791 22.061 20.902 1.00 0.00 H HETATM 1934 2H HOH 10 12.792 20.820 20.046 1.00 0.00 H HETATM 1935 O HOH 11 21.025 15.597 -3.790 1.00 18.73 O HETATM 1936 1H HOH 11 21.374 16.486 -3.814 1.00 0.00 H HETATM 1937 2H HOH 11 21.101 15.349 -4.732 1.00 0.00 H HETATM 1938 O HOH 12 28.998 28.133 -2.313 1.00 23.81 O HETATM 1939 1H HOH 12 28.459 28.946 -2.316 1.00 0.00 H HETATM 1940 2H HOH 12 28.717 27.744 -3.144 1.00 0.00 H HETATM 1941 O HOH 13 0.851 16.536 9.055 1.00 26.33 O HETATM 1942 1H HOH 13 0.247 17.273 9.286 1.00 0.00 H HETATM 1943 2H HOH 13 0.434 16.147 8.288 1.00 0.00 H HETATM 1944 O HOH 14 3.103 25.893 6.790 1.00 24.10 O HETATM 1945 1H HOH 14 3.380 26.800 6.951 1.00 0.00 H HETATM 1946 2H HOH 14 3.326 25.761 5.860 1.00 0.00 H HETATM 1947 O HOH 15 27.942 20.984 7.231 1.00 24.76 O HETATM 1948 1H HOH 15 27.830 21.921 7.347 1.00 0.00 H HETATM 1949 2H HOH 15 27.755 20.761 6.312 1.00 0.00 H HETATM 1950 O HOH 16 10.218 39.761 5.274 1.00 25.07 O HETATM 1951 1H HOH 16 10.630 40.615 5.425 1.00 0.00 H HETATM 1952 2H HOH 16 10.611 39.481 4.444 1.00 0.00 H HETATM 1953 O HOH 17 16.513 44.700 -0.204 1.00 25.39 O HETATM 1954 1H HOH 17 16.584 45.658 -0.039 1.00 0.00 H HETATM 1955 2H HOH 17 16.746 44.652 -1.137 1.00 0.00 H HETATM 1956 O HOH 18 26.148 12.286 -8.352 1.00 25.00 O HETATM 1957 1H HOH 18 26.643 13.082 -8.154 1.00 0.00 H HETATM 1958 2H HOH 18 26.744 11.868 -8.990 1.00 0.00 H HETATM 1959 O HOH 19 7.881 23.062 -7.137 1.00 30.19 O HETATM 1960 1H HOH 19 8.043 24.012 -7.064 1.00 0.00 H HETATM 1961 2H HOH 19 8.163 22.883 -8.041 1.00 0.00 H HETATM 1962 O HOH 20 4.003 29.992 5.546 1.00 30.24 O HETATM 1963 1H HOH 20 3.970 30.938 5.384 1.00 0.00 H HETATM 1964 2H HOH 20 3.761 29.587 4.693 1.00 0.00 H HETATM 1965 O HOH 21 21.594 7.037 -10.717 1.00 23.62 O HETATM 1966 1H HOH 21 21.409 7.888 -11.137 1.00 0.00 H HETATM 1967 2H HOH 21 21.536 6.434 -11.458 1.00 0.00 H HETATM 1968 O HOH 22 27.602 20.960 -0.572 1.00 27.46 O HETATM 1969 1H HOH 22 27.576 21.886 -0.302 1.00 0.00 H HETATM 1970 2H HOH 22 27.796 21.004 -1.516 1.00 0.00 H HETATM 1971 O HOH 23 34.156 27.926 1.402 1.00 31.86 O HETATM 1972 1H HOH 23 34.753 28.436 1.967 1.00 0.00 H HETATM 1973 2H HOH 23 34.653 27.813 0.589 1.00 0.00 H HETATM 1974 O HOH 24 28.261 27.540 5.059 1.00 24.50 O HETATM 1975 1H HOH 24 28.240 28.480 4.876 1.00 0.00 H HETATM 1976 2H HOH 24 28.295 27.192 4.159 1.00 0.00 H HETATM 1977 O HOH 25 13.429 15.704 10.868 1.00 23.47 O HETATM 1978 1H HOH 25 13.289 16.656 10.761 1.00 0.00 H HETATM 1979 2H HOH 25 13.520 15.470 9.947 1.00 0.00 H HETATM 1980 O HOH 26 17.154 26.821 -16.490 1.00 30.63 O HETATM 1981 1H HOH 26 16.405 27.432 -16.380 1.00 0.00 H HETATM 1982 2H HOH 26 16.912 26.285 -17.250 1.00 0.00 H HETATM 1983 O HOH 27 23.721 41.302 0.080 1.00 31.53 O HETATM 1984 1H HOH 27 23.262 41.934 0.652 1.00 0.00 H HETATM 1985 2H HOH 27 23.008 40.887 -0.408 1.00 0.00 H HETATM 1986 O HOH 28 6.549 34.289 -2.272 1.00 22.25 O HETATM 1987 1H HOH 28 6.353 35.214 -2.433 1.00 0.00 H HETATM 1988 2H HOH 28 6.558 33.914 -3.162 1.00 0.00 H HETATM 1989 O HOH 29 30.826 26.458 3.484 1.00 31.72 O HETATM 1990 1H HOH 29 30.659 27.362 3.780 1.00 0.00 H HETATM 1991 2H HOH 29 31.231 26.590 2.623 1.00 0.00 H HETATM 1992 O HOH 30 12.242 39.112 -3.480 1.00 32.89 O HETATM 1993 1H HOH 30 12.582 40.006 -3.555 1.00 0.00 H HETATM 1994 2H HOH 30 12.460 38.715 -4.329 1.00 0.00 H HETATM 1995 O HOH 31 13.276 35.689 -3.691 1.00 37.83 O HETATM 1996 1H HOH 31 13.791 36.411 -3.271 1.00 0.00 H HETATM 1997 2H HOH 31 13.402 35.798 -4.626 1.00 0.00 H HETATM 1998 O HOH 32 26.377 26.607 -17.439 1.00 42.37 O HETATM 1999 1H HOH 32 26.518 27.499 -17.760 1.00 0.00 H HETATM 2000 2H HOH 32 26.488 26.091 -18.244 1.00 0.00 H HETATM 2001 O HOH 33 5.986 14.596 -5.260 1.00 45.62 O HETATM 2002 1H HOH 33 5.516 15.367 -4.892 1.00 0.00 H HETATM 2003 2H HOH 33 5.482 14.553 -6.064 1.00 0.00 H HETATM 2004 O HOH 34 8.395 35.142 5.138 1.00 30.28 O HETATM 2005 1H HOH 34 8.281 36.092 5.056 1.00 0.00 H HETATM 2006 2H HOH 34 8.290 34.867 4.225 1.00 0.00 H HETATM 2007 O HOH 35 3.747 18.874 16.877 1.00 30.20 O HETATM 2008 1H HOH 35 3.639 19.778 17.151 1.00 0.00 H HETATM 2009 2H HOH 35 3.534 18.800 15.945 1.00 0.00 H HETATM 2010 O HOH 36 5.483 28.262 6.631 1.00 24.31 O HETATM 2011 1H HOH 36 4.919 29.063 6.602 1.00 0.00 H HETATM 2012 2H HOH 36 5.444 27.997 5.705 1.00 0.00 H HETATM 2013 O HOH 37 14.295 4.799 -0.308 1.00 33.45 O HETATM 2014 1H HOH 37 14.303 5.739 -0.096 1.00 0.00 H HETATM 2015 2H HOH 37 14.205 4.826 -1.267 1.00 0.00 H HETATM 2016 O HOH 38 8.243 7.976 3.756 1.00 46.29 O HETATM 2017 1H HOH 38 8.373 8.920 3.706 1.00 0.00 H HETATM 2018 2H HOH 38 8.467 7.614 2.899 1.00 0.00 H HETATM 2019 O HOH 39 14.148 31.389 -13.076 1.00 28.89 O HETATM 2020 1H HOH 39 14.253 32.335 -12.910 1.00 0.00 H HETATM 2021 2H HOH 39 14.313 31.314 -14.016 1.00 0.00 H HETATM 2022 O HOH 40 28.001 33.559 13.375 1.00 45.56 O HETATM 2023 1H HOH 40 27.910 34.509 13.239 1.00 0.00 H HETATM 2024 2H HOH 40 28.041 33.228 12.470 1.00 0.00 H HETATM 2025 O HOH 41 5.794 28.934 -4.000 1.00 50.96 O HETATM 2026 1H HOH 41 6.202 29.792 -3.856 1.00 0.00 H HETATM 2027 2H HOH 41 6.215 28.622 -4.804 1.00 0.00 H HETATM 2028 O HOH 42 22.549 9.368 -14.959 1.00 52.25 O HETATM 2029 1H HOH 42 22.251 10.262 -14.752 1.00 0.00 H HETATM 2030 2H HOH 42 21.997 9.125 -15.703 1.00 0.00 H HETATM 2031 O HOH 43 12.858 40.878 21.912 1.00 52.96 O HETATM 2032 1H HOH 43 12.508 41.676 22.315 1.00 0.00 H HETATM 2033 2H HOH 43 12.083 40.565 21.441 1.00 0.00 H HETATM 2034 O HOH 44 6.515 15.472 2.608 1.00 53.74 O HETATM 2035 1H HOH 44 6.357 16.388 2.369 1.00 0.00 H HETATM 2036 2H HOH 44 6.583 15.021 1.751 1.00 0.00 H HETATM 2037 O HOH 45 9.882 7.201 -2.671 1.00 30.36 O HETATM 2038 1H HOH 45 10.103 8.130 -2.591 1.00 0.00 H HETATM 2039 2H HOH 45 10.056 7.004 -3.595 1.00 0.00 H HETATM 2040 O HOH 46 29.081 34.216 -5.700 1.00 43.76 O HETATM 2041 1H HOH 46 28.628 35.040 -5.871 1.00 0.00 H HETATM 2042 2H HOH 46 28.695 33.606 -6.354 1.00 0.00 H HETATM 2043 O HOH 47 4.506 15.252 12.028 1.00 40.54 O HETATM 2044 1H HOH 47 4.496 16.211 11.971 1.00 0.00 H HETATM 2045 2H HOH 47 4.663 14.986 11.112 1.00 0.00 H HETATM 2046 O HOH 48 -4.251 31.040 16.746 1.00 44.80 O HETATM 2047 1H HOH 48 -3.804 31.886 16.749 1.00 0.00 H HETATM 2048 2H HOH 48 -3.806 30.622 16.002 1.00 0.00 H HETATM 2049 O HOH 49 9.820 17.490 13.926 1.00 32.89 O HETATM 2050 1H HOH 49 9.749 18.441 14.062 1.00 0.00 H HETATM 2051 2H HOH 49 9.605 17.430 12.986 1.00 0.00 H HETATM 2052 O HOH 50 20.572 14.894 3.719 1.00 38.92 O HETATM 2053 1H HOH 50 21.281 15.529 3.883 1.00 0.00 H HETATM 2054 2H HOH 50 20.941 14.341 3.018 1.00 0.00 H HETATM 2055 O HOH 51 18.087 14.569 6.292 1.00 33.69 O HETATM 2056 1H HOH 51 18.300 15.512 6.300 1.00 0.00 H HETATM 2057 2H HOH 51 18.515 14.273 5.476 1.00 0.00 H HETATM 2058 O HOH 52 20.049 21.301 6.233 1.00 35.86 O HETATM 2059 1H HOH 52 20.045 22.230 6.492 1.00 0.00 H HETATM 2060 2H HOH 52 19.776 21.406 5.323 1.00 0.00 H HETATM 2061 O HOH 53 23.183 12.272 -0.947 1.00 56.51 O HETATM 2062 1H HOH 53 22.758 13.116 -0.812 1.00 0.00 H HETATM 2063 2H HOH 53 22.732 11.875 -1.689 1.00 0.00 H HETATM 2064 O HOH 54 28.323 25.703 -13.737 1.00 41.85 O HETATM 2065 1H HOH 54 28.204 26.604 -14.017 1.00 0.00 H HETATM 2066 2H HOH 54 27.893 25.182 -14.427 1.00 0.00 H HETATM 2067 O HOH 55 5.385 22.399 -7.937 1.00 45.05 O HETATM 2068 1H HOH 55 6.094 22.764 -7.384 1.00 0.00 H HETATM 2069 2H HOH 55 5.863 21.782 -8.485 1.00 0.00 H HETATM 2070 O HOH 56 6.895 36.301 1.484 1.00 33.10 O HETATM 2071 1H HOH 56 7.214 37.197 1.651 1.00 0.00 H HETATM 2072 2H HOH 56 7.174 36.154 0.578 1.00 0.00 H HETATM 2073 O HOH 57 18.223 39.480 21.903 1.00 50.10 O HETATM 2074 1H HOH 57 17.826 40.348 22.028 1.00 0.00 H HETATM 2075 2H HOH 57 17.709 39.128 21.166 1.00 0.00 H HETATM 2076 O HOH 58 16.565 45.570 10.871 1.00 49.62 O HETATM 2077 1H HOH 58 16.907 46.441 11.102 1.00 0.00 H HETATM 2078 2H HOH 58 17.225 45.219 10.266 1.00 0.00 H HETATM 2079 O HOH 59 29.261 24.893 9.327 1.00 58.37 O HETATM 2080 1H HOH 59 28.907 25.762 9.136 1.00 0.00 H HETATM 2081 2H HOH 59 29.002 24.418 8.533 1.00 0.00 H HETATM 2082 O HOH 60 27.465 18.642 3.112 1.00 46.63 O HETATM 2083 1H HOH 60 27.570 19.594 3.078 1.00 0.00 H HETATM 2084 2H HOH 60 27.300 18.415 2.195 1.00 0.00 H HETATM 2085 O HOH 61 8.892 13.050 -16.131 1.00 37.03 O HETATM 2086 1H HOH 61 9.343 13.908 -16.294 1.00 0.00 H HETATM 2087 2H HOH 61 9.003 12.609 -16.973 1.00 0.00 H HETATM 2088 O HOH 62 20.609 24.360 15.138 1.00 50.11 O HETATM 2089 1H HOH 62 21.061 25.183 15.358 1.00 0.00 H HETATM 2090 2H HOH 62 21.122 24.002 14.408 1.00 0.00 H HETATM 2091 O HOH 63 2.241 36.256 19.438 1.00 38.25 O HETATM 2092 1H HOH 63 1.887 37.145 19.377 1.00 0.00 H HETATM 2093 2H HOH 63 1.973 35.811 18.640 1.00 0.00 H HETATM 2094 O HOH 64 9.496 10.653 11.079 1.00 49.85 O HETATM 2095 1H HOH 64 9.144 11.537 10.970 1.00 0.00 H HETATM 2096 2H HOH 64 9.246 10.191 10.268 1.00 0.00 H HETATM 2097 O HOH 65 22.353 26.039 19.445 1.00 37.47 O HETATM 2098 1H HOH 65 21.732 26.710 19.719 1.00 0.00 H HETATM 2099 2H HOH 65 21.939 25.565 18.718 1.00 0.00 H HETATM 2100 O HOH 66 31.713 30.087 3.874 1.00 43.99 O HETATM 2101 1H HOH 66 32.011 30.972 4.134 1.00 0.00 H HETATM 2102 2H HOH 66 32.404 29.813 3.271 1.00 0.00 H HETATM 2103 O HOH 67 21.993 44.387 8.531 1.00 54.21 O HETATM 2104 1H HOH 67 21.693 45.306 8.388 1.00 0.00 H HETATM 2105 2H HOH 67 21.885 44.057 7.628 1.00 0.00 H HETATM 2106 O HOH 68 25.349 18.818 0.528 1.00 32.02 O HETATM 2107 1H HOH 68 25.558 19.739 0.694 1.00 0.00 H HETATM 2108 2H HOH 68 25.360 18.800 -0.426 1.00 0.00 H HETATM 2109 O HOH 69 7.480 20.544 22.426 1.00 55.27 O HETATM 2110 1H HOH 69 8.084 21.231 22.719 1.00 0.00 H HETATM 2111 2H HOH 69 8.046 19.957 21.917 1.00 0.00 H HETATM 2112 O HOH 70 1.905 29.224 3.423 1.00 41.27 O HETATM 2113 1H HOH 70 1.559 30.112 3.297 1.00 0.00 H HETATM 2114 2H HOH 70 1.555 28.737 2.652 1.00 0.00 H HETATM 2115 O HOH 71 5.425 38.658 21.696 1.00 46.91 O HETATM 2116 1H HOH 71 5.890 39.428 22.029 1.00 0.00 H HETATM 2117 2H HOH 71 6.037 38.398 21.000 1.00 0.00 H HETATM 2118 O HOH 72 16.308 16.089 10.706 1.00 40.61 O HETATM 2119 1H HOH 72 16.223 17.041 10.728 1.00 0.00 H HETATM 2120 2H HOH 72 16.276 15.884 9.775 1.00 0.00 H HETATM 2121 O HOH 73 24.944 7.526 -13.722 1.00 51.35 O HETATM 2122 1H HOH 73 24.352 8.278 -13.601 1.00 0.00 H HETATM 2123 2H HOH 73 24.600 7.118 -14.510 1.00 0.00 H HETATM 2124 O HOH 74 1.603 40.596 19.269 1.00 60.54 O HETATM 2125 1H HOH 74 1.812 41.519 19.454 1.00 0.00 H HETATM 2126 2H HOH 74 1.770 40.517 18.330 1.00 0.00 H HETATM 2127 O HOH 75 15.169 28.883 -17.190 1.00 45.98 O HETATM 2128 1H HOH 75 15.589 29.745 -17.187 1.00 0.00 H HETATM 2129 2H HOH 75 15.484 28.466 -17.997 1.00 0.00 H HETATM 2130 O HOH 2 31.457 26.818 -5.413 1.00 20.00 O HETATM 2131 1H HOH 2 31.265 27.749 -5.533 1.00 0.00 H HETATM 2132 2H HOH 2 31.220 26.412 -6.249 1.00 0.00 H HETATM 2133 O HOH 3 20.475 46.028 6.965 1.00 20.00 O HETATM 2134 1H HOH 3 20.287 46.968 6.954 1.00 0.00 H HETATM 2135 2H HOH 3 20.251 45.743 6.081 1.00 0.00 H HETATM 2136 O HOH 4 7.151 22.760 -11.574 1.00 20.00 O HETATM 2137 1H HOH 4 6.801 23.657 -11.517 1.00 0.00 H HETATM 2138 2H HOH 4 6.926 22.512 -12.480 1.00 0.00 H HETATM 2139 O HOH 5 -1.478 32.326 14.689 1.00 20.00 O HETATM 2140 1H HOH 5 -1.322 33.260 14.953 1.00 0.00 H HETATM 2141 2H HOH 5 -1.511 32.346 13.721 1.00 0.00 H HETATM 2142 O HOH 6 7.291 5.871 -8.370 1.00 20.00 O HETATM 2143 1H HOH 6 7.461 6.806 -8.348 1.00 0.00 H HETATM 2144 2H HOH 6 7.477 5.613 -9.274 1.00 0.00 H HETATM 2145 O HOH 7 33.968 33.007 -0.466 1.00 20.00 O HETATM 2146 1H HOH 7 33.608 33.893 -0.629 1.00 0.00 H HETATM 2147 2H HOH 7 33.783 32.592 -1.311 1.00 0.00 H HETATM 2148 O HOH 8 28.676 37.306 -4.562 1.00 20.00 O HETATM 2149 1H HOH 8 28.757 38.248 -4.415 1.00 0.00 H HETATM 2150 2H HOH 8 28.794 37.219 -5.505 1.00 0.00 H HETATM 2151 O HOH 9 7.505 40.126 1.858 1.00 20.00 O HETATM 2152 1H HOH 9 7.774 41.039 1.881 1.00 0.00 H HETATM 2153 2H HOH 9 7.874 39.756 1.058 1.00 0.00 H HETATM 2154 O HOH 10 2.181 26.803 2.127 1.00 20.00 O HETATM 2155 1H HOH 10 2.789 27.514 2.324 1.00 0.00 H HETATM 2156 2H HOH 10 2.615 26.380 1.377 1.00 0.00 H HETATM 2157 O HOH 11 28.222 18.715 -5.443 1.00 20.00 O HETATM 2158 1H HOH 11 27.884 19.622 -5.397 1.00 0.00 H HETATM 2159 2H HOH 11 28.387 18.553 -6.379 1.00 0.00 H HETATM 2160 O HOH 12 15.446 38.392 22.190 1.00 20.00 O HETATM 2161 1H HOH 12 15.291 39.331 22.263 1.00 0.00 H HETATM 2162 2H HOH 12 15.412 38.218 21.245 1.00 0.00 H HETATM 2163 O HOH 13 28.647 31.839 -10.496 1.00 20.00 O HETATM 2164 1H HOH 13 28.039 32.589 -10.343 1.00 0.00 H HETATM 2165 2H HOH 13 28.159 31.417 -11.195 1.00 0.00 H HETATM 2166 O HOH 14 7.782 33.972 -5.591 1.00 20.00 O HETATM 2167 1H HOH 14 8.148 34.862 -5.548 1.00 0.00 H HETATM 2168 2H HOH 14 8.108 33.702 -6.448 1.00 0.00 H HETATM 2169 O HOH 15 1.878 29.722 -0.827 1.00 20.00 O HETATM 2170 1H HOH 15 1.829 30.680 -0.833 1.00 0.00 H HETATM 2171 2H HOH 15 1.840 29.482 -1.752 1.00 0.00 H HETATM 2172 O HOH 16 22.695 6.291 -6.675 1.00 20.00 O HETATM 2173 1H HOH 16 22.505 7.222 -6.659 1.00 0.00 H HETATM 2174 2H HOH 16 22.487 6.018 -7.576 1.00 0.00 H HETATM 2175 O HOH 18 33.585 32.949 2.406 1.00 20.00 O HETATM 2176 1H HOH 18 33.477 33.899 2.445 1.00 0.00 H HETATM 2177 2H HOH 18 33.627 32.787 1.450 1.00 0.00 H HETATM 2178 O HOH 19 24.406 15.840 2.350 1.00 20.00 O HETATM 2179 1H HOH 19 24.572 16.782 2.197 1.00 0.00 H HETATM 2180 2H HOH 19 24.510 15.455 1.481 1.00 0.00 H HETATM 2181 O HOH 20 12.913 17.324 16.587 1.00 20.00 O HETATM 2182 1H HOH 20 12.650 18.243 16.595 1.00 0.00 H HETATM 2183 2H HOH 20 12.615 17.022 15.717 1.00 0.00 H HETATM 2184 O HOH 21 18.295 13.225 -16.280 1.00 20.00 O HETATM 2185 1H HOH 21 18.329 14.178 -16.206 1.00 0.00 H HETATM 2186 2H HOH 21 18.315 13.043 -17.222 1.00 0.00 H HETATM 2187 O HOH 22 23.152 45.834 15.537 1.00 20.00 O HETATM 2188 1H HOH 22 23.577 46.691 15.585 1.00 0.00 H HETATM 2189 2H HOH 22 23.663 45.334 14.901 1.00 0.00 H HETATM 2190 O HOH 23 25.790 44.461 -5.203 1.00 20.00 O HETATM 2191 1H HOH 23 25.523 45.379 -5.184 1.00 0.00 H HETATM 2192 2H HOH 23 25.522 44.200 -6.088 1.00 0.00 H HETATM 2193 O HOH 24 5.929 36.518 9.222 1.00 20.00 O HETATM 2194 1H HOH 24 6.204 37.434 9.288 1.00 0.00 H HETATM 2195 2H HOH 24 6.277 36.224 8.383 1.00 0.00 H HETATM 2196 O HOH 25 11.938 15.371 13.091 1.00 20.00 O HETATM 2197 1H HOH 25 12.008 16.326 13.082 1.00 0.00 H HETATM 2198 2H HOH 25 12.350 15.092 12.268 1.00 0.00 H HETATM 2199 O HOH 26 29.344 20.486 -3.440 1.00 20.00 O HETATM 2200 1H HOH 26 29.063 21.400 -3.598 1.00 0.00 H HETATM 2201 2H HOH 26 29.327 20.051 -4.301 1.00 0.00 H HETATM 2202 O HOH 27 4.192 16.357 -5.770 1.00 20.00 O HETATM 2203 1H HOH 27 3.785 17.173 -5.438 1.00 0.00 H HETATM 2204 2H HOH 27 3.846 16.329 -6.657 1.00 0.00 H CONECT 1855 1856 1859 CONECT 1856 1855 1857 1860 CONECT 1857 1856 1858 CONECT 1858 1857 1859 CONECT 1859 1855 1858 CONECT 1860 1856 1861 CONECT 1861 1860 1862 CONECT 1862 1861 1863 1872 CONECT 1863 1862 1864 CONECT 1864 1863 1865 1873 CONECT 1865 1864 1866 1880 CONECT 1866 1865 1867 CONECT 1867 1866 1881 1888 CONECT 1868 1869 1888 1889 CONECT 1869 1868 1870 1890 CONECT 1870 1869 1871 CONECT 1871 1870 1893 1895 CONECT 1872 1862 CONECT 1873 1864 1874 CONECT 1874 1873 1875 1879 CONECT 1875 1874 1876 CONECT 1876 1875 1877 CONECT 1877 1876 1878 CONECT 1878 1877 1879 CONECT 1879 1874 1878 CONECT 1880 1865 CONECT 1881 1867 1882 CONECT 1882 1881 1883 1887 CONECT 1883 1882 1884 CONECT 1884 1883 1885 CONECT 1885 1884 1886 CONECT 1886 1885 1887 CONECT 1887 1882 1886 CONECT 1888 1867 1868 CONECT 1889 1868 CONECT 1890 1869 1891 1892 CONECT 1891 1890 CONECT 1892 1890 CONECT 1893 1871 1894 1904 CONECT 1894 1893 1896 CONECT 1895 1871 CONECT 1896 1894 1897 1900 CONECT 1897 1896 1898 CONECT 1898 1897 1899 CONECT 1899 1898 1900 1901 CONECT 1900 1896 1899 CONECT 1901 1899 1902 1903 CONECT 1902 1901 CONECT 1903 1901 CONECT 1904 1893 MASTER 202 0 1 2 16 0 0 6 2202 2 50 16 END