HEADER TRANSFERASE 05-JAN-05 1YGO TITLE SOLUTION STRUCTURE OF THE PELLE DEATH DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE SERINE/THREONINE-PROTEIN KINASE PELLE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PELLE KINASE DEATH DOMAIN RESIDUES 26-131; COMPND 5 EC: 2.7.1.37; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 GENE: PLL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS ANTI-PARALLEL 6 HELIX BUNDLE EXPDTA NMR, 20 STRUCTURES AUTHOR M.C.MONCRIEFFE,K.M.STOTT,N.J.GAY REVDAT 1 26-JUL-05 1YGO 0 JRNL AUTH M.C.MONCRIEFFE,K.M.STOTT,N.J.GAY JRNL TITL SOLUTION STRUCTURE OF THE ISOLATED PELLE DEATH JRNL TITL 2 DOMAIN. JRNL REF FEBS LETT. V. 579 3920 2005 JRNL REFN ASTM FEBLAL NE ISSN 0014-5793 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER, A REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YGO COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB031492. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1MM PELLE DEATH DOMAIN, U- REMARK 210 15N, 13C; 20MM PHOSPHATE, REMARK 210 100MM NACL, PH 7.6; 10% D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG 1.03 FOR OPENGL, AZARA REMARK 210 2.5, ARIA 1.2 REMARK 210 METHOD USED : SIMULATED ANEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 1 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 2 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 3 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 4 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 4 TYR A 107 CE1 TYR A 107 CZ 0.013 REMARK 500 5 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 5 LEU A 18 C PRO A 19 N 0.014 REMARK 500 6 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 6 LEU A 18 C PRO A 19 N 0.015 REMARK 500 7 GLY A 1 N GLY A 1 CA 0.037 REMARK 500 7 LEU A 18 C PRO A 19 N 0.014 REMARK 500 8 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 8 LEU A 18 C PRO A 19 N 0.014 REMARK 500 9 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 9 LEU A 18 C PRO A 19 N 0.014 REMARK 500 9 PHE A 65 CZ PHE A 65 CE2 -0.014 REMARK 500 9 TYR A 107 CE1 TYR A 107 CZ 0.020 REMARK 500 9 TYR A 107 CZ TYR A 107 CE2 -0.018 REMARK 500 10 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 10 LEU A 18 C PRO A 19 N 0.014 REMARK 500 10 PHE A 84 CE1 PHE A 84 CZ 0.015 REMARK 500 10 PHE A 84 CZ PHE A 84 CE2 -0.018 REMARK 500 11 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 11 LEU A 18 C PRO A 19 N 0.014 REMARK 500 12 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 12 LEU A 18 C PRO A 19 N 0.014 REMARK 500 13 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 13 PHE A 65 CE1 PHE A 65 CZ 0.016 REMARK 500 13 PHE A 65 CZ PHE A 65 CE2 -0.017 REMARK 500 14 GLY A 1 N GLY A 1 CA 0.039 REMARK 500 14 PHE A 84 CZ PHE A 84 CE2 -0.014 REMARK 500 15 GLY A 1 N GLY A 1 CA 0.037 REMARK 500 15 LEU A 18 C PRO A 19 N 0.014 REMARK 500 15 TYR A 107 CE1 TYR A 107 CZ 0.015 REMARK 500 16 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 16 LEU A 18 C PRO A 19 N 0.014 REMARK 500 17 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 18 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 19 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 19 TYR A 99 CE1 TYR A 99 CZ 0.014 REMARK 500 20 GLY A 1 N GLY A 1 CA 0.038 REMARK 500 20 HIS A 75 CA HIS A 75 C 0.014 REMARK 500 20 THR A 76 N THR A 76 CA 0.015 REMARK 500 20 PHE A 84 CE1 PHE A 84 CZ 0.058 REMARK 500 20 PHE A 84 CZ PHE A 84 CE2 -0.060 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 5 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 6 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 7 LEU A 18 CA - C - N ANGL. DEV. = 1.8 DEGREES REMARK 500 8 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 9 ILE A 13 CB - CA - C ANGL. DEV. = 1.9 DEGREES REMARK 500 12 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 14 LEU A 18 CA - C - N ANGL. DEV. = 1.9 DEGREES REMARK 500 15 LEU A 18 CA - C - N ANGL. DEV. = 2.0 DEGREES REMARK 500 16 LEU A 18 CA - C - N ANGL. DEV. = 1.8 DEGREES REMARK 500 16 HIS A 105 CB - CA - C ANGL. DEV. = 2.6 DEGREES REMARK 500 18 LEU A 104 N - CA - C ANGL. DEV. = 2.9 DEGREES REMARK 500 19 VAL A 100 CB - CA - C ANGL. DEV. = 2.3 DEGREES REMARK 500 19 VAL A 100 CA - CB - CG1 ANGL. DEV. = 3.1 DEGREES REMARK 500 20 TRP A 34 N - CA - C ANGL. DEV. = -1.8 DEGREES REMARK 500 20 THR A 76 N - CA - CB ANGL. DEV. = 2.5 DEGREES REMARK 500 20 THR A 76 C - N - CA ANGL. DEV. = 2.4 DEGREES REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 ASN A 74 145.64 65.44 REMARK 500 3 SER A 2 123.89 64.82 REMARK 500 5 ASN A 74 143.12 65.43 REMARK 500 6 LEU A 7 -94.47 57.50 REMARK 500 6 ASN A 74 120.92 63.50 REMARK 500 11 ASN A 9 160.68 65.17 REMARK 500 12 SER A 2 132.26 65.96 REMARK 500 15 LYS A 97 -51.77 72.80 REMARK 500 16 LYS A 97 -69.76 67.88 REMARK 500 17 LYS A 97 -74.05 65.72 REMARK 500 19 HIS A 3 -90.28 58.27 REMARK 500 19 ASN A 9 -101.53 57.18 REMARK 500 20 THR A 76 151.66 80.36 DBREF 1YGO A 5 110 UNP Q05652 KPEL_DROME 26 131 SEQADV 1YGO GLY A 1 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO SER A 2 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO HIS A 3 UNP Q05652 CLONING ARTIFACT SEQADV 1YGO MET A 4 UNP Q05652 CLONING ARTIFACT SEQRES 1 A 110 GLY SER HIS MET SER HIS LEU ASP ASN THR MET ALA ILE SEQRES 2 A 110 ARG LEU LEU PRO LEU PRO VAL ARG ALA GLN LEU CYS ALA SEQRES 3 A 110 HIS LEU ASP ALA LEU ASP VAL TRP GLN GLN LEU ALA THR SEQRES 4 A 110 ALA VAL LYS LEU TYR PRO ASP GLN VAL GLU GLN ILE SER SEQRES 5 A 110 SER GLN LYS GLN ARG GLY ARG SER ALA SER ASN GLU PHE SEQRES 6 A 110 LEU ASN ILE TRP GLY GLY GLN TYR ASN HIS THR VAL GLN SEQRES 7 A 110 THR LEU PHE ALA LEU PHE LYS LYS LEU LYS LEU HIS ASN SEQRES 8 A 110 ALA MET ARG LEU ILE LYS ASP TYR VAL SER GLU ASP LEU SEQRES 9 A 110 HIS LYS TYR ILE PRO ARG HELIX 1 1 PRO A 17 ASP A 32 1 16 HELIX 2 2 TRP A 34 THR A 39 1 6 HELIX 3 3 ALA A 40 LYS A 42 5 3 HELIX 4 4 TYR A 44 ARG A 57 1 14 HELIX 5 5 SER A 60 GLY A 70 1 11 HELIX 6 6 THR A 76 LYS A 85 1 10 HELIX 7 7 LEU A 89 ILE A 96 1 8 HELIX 8 8 SER A 101 HIS A 105 5 5 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N GLY A 1 3.052 8.282 16.020 1.00 14.04 N ATOM 2 CA GLY A 1 3.831 8.693 14.818 1.00 13.85 C ATOM 3 C GLY A 1 2.943 8.993 13.626 1.00 13.29 C ATOM 4 O GLY A 1 2.280 8.100 13.098 1.00 13.45 O ATOM 5 HA2 GLY A 1 4.403 9.577 15.057 1.00 13.88 H ATOM 6 HA3 GLY A 1 4.510 7.896 14.553 1.00 14.27 H ATOM 7 H1 GLY A 1 3.339 7.329 16.321 1.00 14.38 H ATOM 8 H2 GLY A 1 2.037 8.275 15.803 1.00 14.22 H ATOM 9 H3 GLY A 1 3.224 8.948 16.800 1.00 13.79 H ATOM 10 N SER A 2 2.929 10.253 13.204 1.00 12.81 N ATOM 11 CA SER A 2 2.114 10.669 12.067 1.00 12.44 C ATOM 12 C SER A 2 2.824 11.743 11.250 1.00 11.66 C ATOM 13 O SER A 2 2.606 11.865 10.044 1.00 11.62 O ATOM 14 CB SER A 2 0.758 11.192 12.548 1.00 13.00 C ATOM 15 OG SER A 2 0.418 10.643 13.809 1.00 13.39 O ATOM 16 H SER A 2 3.480 10.919 13.666 1.00 12.84 H ATOM 17 HA SER A 2 1.955 9.804 11.441 1.00 12.53 H ATOM 18 HB2 SER A 2 0.801 12.267 12.637 1.00 13.20 H ATOM 19 HB3 SER A 2 -0.003 10.920 11.832 1.00 13.11 H ATOM 20 HG SER A 2 -0.496 10.857 14.014 1.00 13.41 H ATOM 21 N HIS A 3 3.675 12.519 11.915 1.00 11.24 N ATOM 22 CA HIS A 3 4.416 13.584 11.249 1.00 10.68 C ATOM 23 C HIS A 3 5.866 13.174 11.011 1.00 9.83 C ATOM 24 O HIS A 3 6.524 12.639 11.904 1.00 9.74 O ATOM 25 CB HIS A 3 4.369 14.867 12.081 1.00 11.22 C ATOM 26 CG HIS A 3 3.379 15.870 11.575 1.00 11.78 C ATOM 27 ND1 HIS A 3 2.083 15.948 12.040 1.00 12.09 N ATOM 28 CD2 HIS A 3 3.501 16.841 10.640 1.00 12.30 C ATOM 29 CE1 HIS A 3 1.449 16.922 11.410 1.00 12.74 C ATOM 30 NE2 HIS A 3 2.288 17.480 10.556 1.00 12.87 N ATOM 31 H HIS A 3 3.806 12.374 12.875 1.00 11.45 H ATOM 32 HA HIS A 3 3.947 13.768 10.295 1.00 10.71 H ATOM 33 HB2 HIS A 3 4.101 14.619 13.097 1.00 11.76 H ATOM 34 HB3 HIS A 3 5.345 15.329 12.073 1.00 10.89 H ATOM 35 HD1 HIS A 3 1.685 15.374 12.727 1.00 11.98 H ATOM 36 HD2 HIS A 3 4.387 17.069 10.064 1.00 12.39 H ATOM 37 HE1 HIS A 3 0.421 17.212 11.566 1.00 13.21 H ATOM 38 HE2 HIS A 3 2.057 18.183 9.913 1.00 13.41 H ATOM 39 N MET A 4 6.355 13.424 9.801 1.00 9.43 N ATOM 40 CA MET A 4 7.728 13.086 9.444 1.00 8.83 C ATOM 41 C MET A 4 8.359 14.195 8.610 1.00 8.04 C ATOM 42 O MET A 4 9.525 14.108 8.228 1.00 8.16 O ATOM 43 CB MET A 4 7.767 11.765 8.673 1.00 9.24 C ATOM 44 CG MET A 4 8.740 10.751 9.255 1.00 9.89 C ATOM 45 SD MET A 4 8.703 9.173 8.386 1.00 10.81 S ATOM 46 CE MET A 4 10.210 9.277 7.425 1.00 11.46 C ATOM 47 H MET A 4 5.777 13.848 9.131 1.00 9.71 H ATOM 48 HA MET A 4 8.290 12.975 10.359 1.00 8.93 H ATOM 49 HB2 MET A 4 6.780 11.328 8.678 1.00 9.61 H ATOM 50 HB3 MET A 4 8.058 11.965 7.653 1.00 8.94 H ATOM 51 HG2 MET A 4 9.740 11.156 9.192 1.00 9.79 H ATOM 52 HG3 MET A 4 8.486 10.583 10.291 1.00 10.14 H ATOM 53 HE1 MET A 4 10.381 10.303 7.134 1.00 11.46 H ATOM 54 HE2 MET A 4 10.116 8.664 6.540 1.00 11.62 H ATOM 55 HE3 MET A 4 11.041 8.926 8.018 1.00 11.91 H ATOM 56 N SER A 5 7.572 15.234 8.330 1.00 7.48 N ATOM 57 CA SER A 5 8.040 16.374 7.543 1.00 6.96 C ATOM 58 C SER A 5 8.374 15.963 6.111 1.00 5.97 C ATOM 59 O SER A 5 8.844 16.779 5.318 1.00 5.85 O ATOM 60 CB SER A 5 9.263 17.015 8.205 1.00 7.28 C ATOM 61 OG SER A 5 10.464 16.583 7.589 1.00 7.75 O ATOM 62 H SER A 5 6.649 15.232 8.660 1.00 7.62 H ATOM 63 HA SER A 5 7.240 17.100 7.514 1.00 7.39 H ATOM 64 HB2 SER A 5 9.196 18.089 8.117 1.00 7.49 H ATOM 65 HB3 SER A 5 9.290 16.741 9.249 1.00 7.28 H ATOM 66 HG SER A 5 10.825 15.839 8.079 1.00 7.92 H ATOM 67 N HIS A 6 8.122 14.696 5.788 1.00 5.62 N ATOM 68 CA HIS A 6 8.393 14.172 4.453 1.00 5.03 C ATOM 69 C HIS A 6 9.808 14.528 3.999 1.00 4.34 C ATOM 70 O HIS A 6 9.995 15.233 3.007 1.00 4.70 O ATOM 71 CB HIS A 6 7.367 14.709 3.452 1.00 5.60 C ATOM 72 CG HIS A 6 6.246 13.755 3.178 1.00 6.21 C ATOM 73 ND1 HIS A 6 6.440 12.505 2.629 1.00 6.80 N ATOM 74 CD2 HIS A 6 4.912 13.871 3.383 1.00 6.70 C ATOM 75 CE1 HIS A 6 5.274 11.893 2.509 1.00 7.53 C ATOM 76 NE2 HIS A 6 4.333 12.701 2.960 1.00 7.49 N ATOM 77 H HIS A 6 7.740 14.099 6.464 1.00 6.04 H ATOM 78 HA HIS A 6 8.305 13.097 4.498 1.00 5.14 H ATOM 79 HB2 HIS A 6 6.939 15.622 3.840 1.00 6.02 H ATOM 80 HB3 HIS A 6 7.862 14.920 2.516 1.00 5.58 H ATOM 81 HD1 HIS A 6 7.302 12.122 2.367 1.00 6.89 H ATOM 82 HD2 HIS A 6 4.400 14.726 3.803 1.00 6.73 H ATOM 83 HE1 HIS A 6 5.119 10.902 2.111 1.00 8.24 H ATOM 84 HE2 HIS A 6 3.371 12.514 2.941 1.00 8.12 H ATOM 85 N LEU A 7 10.800 14.032 4.730 1.00 3.79 N ATOM 86 CA LEU A 7 12.197 14.294 4.403 1.00 3.54 C ATOM 87 C LEU A 7 12.663 13.396 3.261 1.00 3.05 C ATOM 88 O LEU A 7 13.833 13.418 2.878 1.00 3.39 O ATOM 89 CB LEU A 7 13.082 14.080 5.632 1.00 4.07 C ATOM 90 CG LEU A 7 14.299 15.003 5.722 1.00 4.94 C ATOM 91 CD1 LEU A 7 14.102 16.042 6.814 1.00 5.66 C ATOM 92 CD2 LEU A 7 15.563 14.196 5.971 1.00 5.67 C ATOM 93 H LEU A 7 10.589 13.475 5.509 1.00 3.94 H ATOM 94 HA LEU A 7 12.276 15.324 4.089 1.00 3.90 H ATOM 95 HB2 LEU A 7 12.476 14.229 6.515 1.00 4.16 H ATOM 96 HB3 LEU A 7 13.432 13.059 5.624 1.00 4.25 H ATOM 97 HG LEU A 7 14.414 15.525 4.782 1.00 5.00 H ATOM 98 HD11 LEU A 7 14.571 15.700 7.725 1.00 6.07 H ATOM 99 HD12 LEU A 7 13.046 16.189 6.986 1.00 5.92 H ATOM 100 HD13 LEU A 7 14.550 16.976 6.508 1.00 5.87 H ATOM 101 HD21 LEU A 7 16.013 13.929 5.026 1.00 6.02 H ATOM 102 HD22 LEU A 7 15.314 13.297 6.517 1.00 5.88 H ATOM 103 HD23 LEU A 7 16.259 14.786 6.548 1.00 6.00 H ATOM 104 N ASP A 8 11.739 12.607 2.722 1.00 2.65 N ATOM 105 CA ASP A 8 12.048 11.702 1.623 1.00 2.38 C ATOM 106 C ASP A 8 11.084 11.914 0.460 1.00 2.22 C ATOM 107 O ASP A 8 10.039 12.547 0.618 1.00 2.74 O ATOM 108 CB ASP A 8 11.985 10.248 2.096 1.00 2.57 C ATOM 109 CG ASP A 8 12.600 10.060 3.468 1.00 3.32 C ATOM 110 OD1 ASP A 8 11.893 10.283 4.473 1.00 3.86 O ATOM 111 OD2 ASP A 8 13.791 9.690 3.539 1.00 3.77 O ATOM 112 H ASP A 8 10.824 12.635 3.074 1.00 2.84 H ATOM 113 HA ASP A 8 13.051 11.919 1.287 1.00 2.60 H ATOM 114 HB2 ASP A 8 10.952 9.935 2.139 1.00 2.79 H ATOM 115 HB3 ASP A 8 12.517 9.624 1.393 1.00 2.59 H ATOM 116 N ASN A 9 11.439 11.383 -0.706 1.00 1.98 N ATOM 117 CA ASN A 9 10.600 11.519 -1.891 1.00 2.16 C ATOM 118 C ASN A 9 10.676 10.268 -2.761 1.00 1.77 C ATOM 119 O ASN A 9 11.687 10.016 -3.417 1.00 2.00 O ATOM 120 CB ASN A 9 11.021 12.745 -2.704 1.00 2.89 C ATOM 121 CG ASN A 9 9.933 13.799 -2.767 1.00 3.63 C ATOM 122 OD1 ASN A 9 10.183 14.982 -2.539 1.00 4.06 O ATOM 123 ND2 ASN A 9 8.714 13.374 -3.080 1.00 4.31 N ATOM 124 H ASN A 9 12.282 10.890 -0.771 1.00 2.07 H ATOM 125 HA ASN A 9 9.581 11.651 -1.562 1.00 2.46 H ATOM 126 HB2 ASN A 9 11.897 13.187 -2.250 1.00 3.30 H ATOM 127 HB3 ASN A 9 11.259 12.437 -3.712 1.00 2.98 H ATOM 128 HD21 ASN A 9 8.587 12.416 -3.248 1.00 4.35 H ATOM 129 HD22 ASN A 9 7.992 14.034 -3.129 1.00 4.97 H ATOM 130 N THR A 10 9.598 9.489 -2.760 1.00 1.51 N ATOM 131 CA THR A 10 9.536 8.264 -3.548 1.00 1.25 C ATOM 132 C THR A 10 8.545 8.407 -4.698 1.00 1.22 C ATOM 133 O THR A 10 7.715 9.316 -4.704 1.00 1.93 O ATOM 134 CB THR A 10 9.130 7.058 -2.680 1.00 1.11 C ATOM 135 OG1 THR A 10 9.675 7.196 -1.363 1.00 1.23 O ATOM 136 CG2 THR A 10 9.614 5.755 -3.300 1.00 1.18 C ATOM 137 H THR A 10 8.826 9.745 -2.215 1.00 1.74 H ATOM 138 HA THR A 10 10.520 8.075 -3.952 1.00 1.43 H ATOM 139 HB THR A 10 8.051 7.028 -2.614 1.00 1.45 H ATOM 140 HG1 THR A 10 9.624 6.354 -0.904 1.00 1.54 H ATOM 141 HG21 THR A 10 10.495 5.945 -3.893 1.00 1.60 H ATOM 142 HG22 THR A 10 8.837 5.345 -3.929 1.00 1.68 H ATOM 143 HG23 THR A 10 9.853 5.051 -2.516 1.00 1.57 H ATOM 144 N MET A 11 8.640 7.506 -5.673 1.00 0.77 N ATOM 145 CA MET A 11 7.750 7.533 -6.829 1.00 0.68 C ATOM 146 C MET A 11 6.288 7.484 -6.395 1.00 0.61 C ATOM 147 O MET A 11 5.864 6.556 -5.704 1.00 0.63 O ATOM 148 CB MET A 11 8.057 6.364 -7.769 1.00 0.70 C ATOM 149 CG MET A 11 8.028 5.007 -7.086 1.00 0.72 C ATOM 150 SD MET A 11 8.738 3.702 -8.107 1.00 1.23 S ATOM 151 CE MET A 11 7.283 3.128 -8.980 1.00 0.74 C ATOM 152 H MET A 11 9.324 6.808 -5.613 1.00 1.04 H ATOM 153 HA MET A 11 7.923 8.459 -7.356 1.00 0.71 H ATOM 154 HB2 MET A 11 7.328 6.358 -8.565 1.00 0.69 H ATOM 155 HB3 MET A 11 9.040 6.509 -8.193 1.00 0.81 H ATOM 156 HG2 MET A 11 8.590 5.069 -6.166 1.00 1.11 H ATOM 157 HG3 MET A 11 7.002 4.753 -6.864 1.00 0.92 H ATOM 158 HE1 MET A 11 7.581 2.464 -9.779 1.00 1.30 H ATOM 159 HE2 MET A 11 6.754 3.973 -9.392 1.00 1.28 H ATOM 160 HE3 MET A 11 6.638 2.599 -8.295 1.00 1.36 H ATOM 161 N ALA A 12 5.525 8.494 -6.802 1.00 0.57 N ATOM 162 CA ALA A 12 4.108 8.574 -6.464 1.00 0.56 C ATOM 163 C ALA A 12 3.381 7.286 -6.826 1.00 0.48 C ATOM 164 O ALA A 12 3.696 6.639 -7.825 1.00 0.46 O ATOM 165 CB ALA A 12 3.468 9.762 -7.165 1.00 0.62 C ATOM 166 H ALA A 12 5.926 9.205 -7.345 1.00 0.60 H ATOM 167 HA ALA A 12 4.026 8.730 -5.397 1.00 0.62 H ATOM 168 HB1 ALA A 12 2.421 9.811 -6.907 1.00 1.29 H ATOM 169 HB2 ALA A 12 3.572 9.649 -8.234 1.00 1.08 H ATOM 170 HB3 ALA A 12 3.958 10.673 -6.851 1.00 1.23 H ATOM 171 N ILE A 13 2.406 6.921 -6.001 1.00 0.46 N ATOM 172 CA ILE A 13 1.622 5.713 -6.220 1.00 0.44 C ATOM 173 C ILE A 13 0.948 5.741 -7.591 1.00 0.43 C ATOM 174 O ILE A 13 0.722 4.694 -8.201 1.00 0.45 O ATOM 175 CB ILE A 13 0.564 5.541 -5.104 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.128 4.679 -3.973 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.723 4.929 -5.644 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.546 5.005 -2.615 1.00 0.58 C ATOM 179 H ILE A 13 2.209 7.480 -5.220 1.00 0.50 H ATOM 180 HA ILE A 13 2.296 4.869 -6.179 1.00 0.46 H ATOM 181 HB ILE A 13 0.333 6.520 -4.714 1.00 0.52 H ATOM 182 HG12 ILE A 13 0.919 3.640 -4.182 1.00 0.79 H ATOM 183 HG13 ILE A 13 2.198 4.822 -3.919 1.00 0.86 H ATOM 184 HG21 ILE A 13 -1.234 5.652 -6.264 1.00 1.26 H ATOM 185 HG22 ILE A 13 -1.361 4.646 -4.820 1.00 1.09 H ATOM 186 HG23 ILE A 13 -0.488 4.054 -6.233 1.00 1.15 H ATOM 187 HD11 ILE A 13 0.709 4.173 -1.945 1.00 1.11 H ATOM 188 HD12 ILE A 13 -0.514 5.185 -2.712 1.00 1.19 H ATOM 189 HD13 ILE A 13 1.027 5.886 -2.219 1.00 1.19 H ATOM 190 N ARG A 14 0.634 6.941 -8.071 1.00 0.47 N ATOM 191 CA ARG A 14 -0.007 7.098 -9.372 1.00 0.53 C ATOM 192 C ARG A 14 0.814 6.411 -10.459 1.00 0.51 C ATOM 193 O ARG A 14 0.274 5.950 -11.464 1.00 0.66 O ATOM 194 CB ARG A 14 -0.183 8.582 -9.707 1.00 0.62 C ATOM 195 CG ARG A 14 1.111 9.377 -9.657 1.00 1.28 C ATOM 196 CD ARG A 14 1.459 9.960 -11.017 1.00 1.42 C ATOM 197 NE ARG A 14 1.097 11.370 -11.117 1.00 1.82 N ATOM 198 CZ ARG A 14 0.556 11.918 -12.202 1.00 2.23 C ATOM 199 NH1 ARG A 14 0.318 11.177 -13.276 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.252 13.210 -12.214 1.00 2.82 N ATOM 201 H ARG A 14 0.840 7.739 -7.539 1.00 0.49 H ATOM 202 HA ARG A 14 -0.978 6.630 -9.322 1.00 0.58 H ATOM 203 HB2 ARG A 14 -0.595 8.667 -10.702 1.00 1.00 H ATOM 204 HB3 ARG A 14 -0.876 9.017 -9.003 1.00 1.10 H ATOM 205 HG2 ARG A 14 0.998 10.183 -8.949 1.00 2.09 H ATOM 206 HG3 ARG A 14 1.911 8.724 -9.338 1.00 1.81 H ATOM 207 HD2 ARG A 14 2.523 9.860 -11.175 1.00 1.78 H ATOM 208 HD3 ARG A 14 0.930 9.405 -11.779 1.00 1.83 H ATOM 209 HE ARG A 14 1.264 11.939 -10.337 1.00 2.27 H ATOM 210 HH11 ARG A 14 0.544 10.203 -13.272 1.00 2.67 H ATOM 211 HH12 ARG A 14 -0.090 11.591 -14.090 1.00 3.22 H ATOM 212 HH21 ARG A 14 0.430 13.772 -11.406 1.00 3.15 H ATOM 213 HH22 ARG A 14 -0.153 13.621 -13.030 1.00 3.20 H ATOM 214 N LEU A 15 2.124 6.347 -10.242 1.00 0.43 N ATOM 215 CA LEU A 15 3.032 5.709 -11.187 1.00 0.46 C ATOM 216 C LEU A 15 2.981 4.193 -11.033 1.00 0.42 C ATOM 217 O LEU A 15 3.074 3.455 -12.014 1.00 0.44 O ATOM 218 CB LEU A 15 4.461 6.209 -10.969 1.00 0.54 C ATOM 219 CG LEU A 15 5.382 6.098 -12.186 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.465 7.164 -12.134 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.001 4.711 -12.258 1.00 1.51 C ATOM 222 H LEU A 15 2.490 6.741 -9.424 1.00 0.44 H ATOM 223 HA LEU A 15 2.714 5.970 -12.186 1.00 0.52 H ATOM 224 HB2 LEU A 15 4.414 7.247 -10.672 1.00 0.69 H ATOM 225 HB3 LEU A 15 4.899 5.642 -10.161 1.00 0.59 H ATOM 226 HG LEU A 15 4.802 6.256 -13.083 1.00 1.27 H ATOM 227 HD11 LEU A 15 7.210 6.958 -12.889 1.00 1.93 H ATOM 228 HD12 LEU A 15 6.931 7.158 -11.159 1.00 2.04 H ATOM 229 HD13 LEU A 15 6.026 8.133 -12.318 1.00 1.93 H ATOM 230 HD21 LEU A 15 6.597 4.629 -13.155 1.00 1.98 H ATOM 231 HD22 LEU A 15 5.216 3.970 -12.280 1.00 2.00 H ATOM 232 HD23 LEU A 15 6.626 4.549 -11.394 1.00 2.17 H ATOM 233 N LEU A 16 2.832 3.740 -9.791 1.00 0.38 N ATOM 234 CA LEU A 16 2.761 2.314 -9.491 1.00 0.38 C ATOM 235 C LEU A 16 1.716 1.622 -10.370 1.00 0.36 C ATOM 236 O LEU A 16 0.518 1.867 -10.218 1.00 0.35 O ATOM 237 CB LEU A 16 2.416 2.104 -8.013 1.00 0.39 C ATOM 238 CG LEU A 16 3.111 0.918 -7.334 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.721 -0.390 -8.005 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.622 1.099 -7.350 1.00 0.93 C ATOM 241 H LEU A 16 2.768 4.384 -9.055 1.00 0.38 H ATOM 242 HA LEU A 16 3.731 1.886 -9.690 1.00 0.44 H ATOM 243 HB2 LEU A 16 2.679 3.002 -7.474 1.00 0.46 H ATOM 244 HB3 LEU A 16 1.349 1.957 -7.934 1.00 0.48 H ATOM 245 HG LEU A 16 2.791 0.869 -6.303 1.00 0.71 H ATOM 246 HD11 LEU A 16 1.698 -0.330 -8.345 1.00 1.25 H ATOM 247 HD12 LEU A 16 2.817 -1.200 -7.297 1.00 1.53 H ATOM 248 HD13 LEU A 16 3.372 -0.571 -8.848 1.00 1.41 H ATOM 249 HD21 LEU A 16 4.859 2.150 -7.277 1.00 1.45 H ATOM 250 HD22 LEU A 16 5.023 0.702 -8.271 1.00 1.35 H ATOM 251 HD23 LEU A 16 5.056 0.573 -6.512 1.00 1.41 H ATOM 252 N PRO A 17 2.150 0.752 -11.304 1.00 0.38 N ATOM 253 CA PRO A 17 1.231 0.035 -12.197 1.00 0.40 C ATOM 254 C PRO A 17 0.160 -0.730 -11.427 1.00 0.35 C ATOM 255 O PRO A 17 0.470 -1.607 -10.621 1.00 0.35 O ATOM 256 CB PRO A 17 2.143 -0.934 -12.952 1.00 0.46 C ATOM 257 CG PRO A 17 3.493 -0.309 -12.891 1.00 0.48 C ATOM 258 CD PRO A 17 3.558 0.399 -11.569 1.00 0.43 C ATOM 259 HA PRO A 17 0.756 0.708 -12.896 1.00 0.44 H ATOM 260 HB2 PRO A 17 2.130 -1.898 -12.464 1.00 0.47 H ATOM 261 HB3 PRO A 17 1.801 -1.035 -13.971 1.00 0.53 H ATOM 262 HG2 PRO A 17 4.255 -1.073 -12.947 1.00 0.52 H ATOM 263 HG3 PRO A 17 3.609 0.396 -13.700 1.00 0.53 H ATOM 264 HD2 PRO A 17 3.941 -0.261 -10.805 1.00 0.45 H ATOM 265 HD3 PRO A 17 4.170 1.286 -11.645 1.00 0.47 H ATOM 266 N LEU A 18 -1.099 -0.389 -11.680 1.00 0.40 N ATOM 267 CA LEU A 18 -2.222 -1.037 -11.012 1.00 0.41 C ATOM 268 C LEU A 18 -2.219 -2.555 -11.235 1.00 0.36 C ATOM 269 O LEU A 18 -2.344 -3.316 -10.276 1.00 0.37 O ATOM 270 CB LEU A 18 -3.548 -0.436 -11.485 1.00 0.51 C ATOM 271 CG LEU A 18 -4.428 0.141 -10.375 1.00 0.76 C ATOM 272 CD1 LEU A 18 -5.081 1.437 -10.830 1.00 1.36 C ATOM 273 CD2 LEU A 18 -5.483 -0.869 -9.951 1.00 1.64 C ATOM 274 H LEU A 18 -1.278 0.320 -12.334 1.00 0.46 H ATOM 275 HA LEU A 18 -2.119 -0.851 -9.953 1.00 0.44 H ATOM 276 HB2 LEU A 18 -3.329 0.352 -12.191 1.00 0.62 H ATOM 277 HB3 LEU A 18 -4.109 -1.206 -11.994 1.00 0.63 H ATOM 278 HG LEU A 18 -3.812 0.363 -9.515 1.00 1.57 H ATOM 279 HD11 LEU A 18 -5.910 1.212 -11.484 1.00 1.97 H ATOM 280 HD12 LEU A 18 -4.359 2.039 -11.360 1.00 1.89 H ATOM 281 HD13 LEU A 18 -5.441 1.981 -9.968 1.00 1.93 H ATOM 282 HD21 LEU A 18 -6.249 -0.929 -10.708 1.00 2.23 H ATOM 283 HD22 LEU A 18 -5.924 -0.557 -9.016 1.00 2.12 H ATOM 284 HD23 LEU A 18 -5.023 -1.838 -9.825 1.00 2.15 H ATOM 285 N PRO A 19 -2.080 -3.028 -12.496 1.00 0.36 N ATOM 286 CA PRO A 19 -2.068 -4.466 -12.796 1.00 0.41 C ATOM 287 C PRO A 19 -1.028 -5.222 -11.974 1.00 0.39 C ATOM 288 O PRO A 19 -1.144 -6.430 -11.771 1.00 0.44 O ATOM 289 CB PRO A 19 -1.724 -4.537 -14.291 1.00 0.49 C ATOM 290 CG PRO A 19 -1.232 -3.175 -14.652 1.00 0.59 C ATOM 291 CD PRO A 19 -1.927 -2.226 -13.722 1.00 0.40 C ATOM 292 HA PRO A 19 -3.039 -4.909 -12.629 1.00 0.45 H ATOM 293 HB2 PRO A 19 -0.960 -5.286 -14.450 1.00 0.66 H ATOM 294 HB3 PRO A 19 -2.608 -4.797 -14.852 1.00 0.67 H ATOM 295 HG2 PRO A 19 -0.162 -3.122 -14.513 1.00 0.91 H ATOM 296 HG3 PRO A 19 -1.490 -2.952 -15.677 1.00 0.93 H ATOM 297 HD2 PRO A 19 -1.313 -1.356 -13.545 1.00 0.44 H ATOM 298 HD3 PRO A 19 -2.889 -1.940 -14.120 1.00 0.53 H ATOM 299 N VAL A 20 -0.013 -4.504 -11.506 1.00 0.38 N ATOM 300 CA VAL A 20 1.044 -5.107 -10.704 1.00 0.44 C ATOM 301 C VAL A 20 0.654 -5.139 -9.229 1.00 0.42 C ATOM 302 O VAL A 20 0.887 -6.131 -8.538 1.00 0.46 O ATOM 303 CB VAL A 20 2.376 -4.346 -10.861 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.435 -4.910 -9.925 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.850 -4.397 -12.304 1.00 0.56 C ATOM 306 H VAL A 20 0.027 -3.545 -11.705 1.00 0.37 H ATOM 307 HA VAL A 20 1.189 -6.120 -11.051 1.00 0.49 H ATOM 308 HB VAL A 20 2.209 -3.311 -10.596 1.00 0.53 H ATOM 309 HG11 VAL A 20 4.345 -5.093 -10.478 1.00 1.24 H ATOM 310 HG12 VAL A 20 3.081 -5.836 -9.497 1.00 1.17 H ATOM 311 HG13 VAL A 20 3.632 -4.201 -9.135 1.00 1.26 H ATOM 312 HG21 VAL A 20 3.000 -5.426 -12.598 1.00 1.14 H ATOM 313 HG22 VAL A 20 3.782 -3.856 -12.397 1.00 1.02 H ATOM 314 HG23 VAL A 20 2.108 -3.945 -12.944 1.00 1.14 H ATOM 315 N ARG A 21 0.063 -4.047 -8.755 1.00 0.42 N ATOM 316 CA ARG A 21 -0.361 -3.948 -7.362 1.00 0.46 C ATOM 317 C ARG A 21 -1.382 -5.031 -7.024 1.00 0.39 C ATOM 318 O ARG A 21 -1.508 -5.438 -5.869 1.00 0.38 O ATOM 319 CB ARG A 21 -0.956 -2.566 -7.085 1.00 0.54 C ATOM 320 CG ARG A 21 -1.094 -2.251 -5.604 1.00 1.17 C ATOM 321 CD ARG A 21 -0.283 -1.025 -5.217 1.00 0.77 C ATOM 322 NE ARG A 21 1.136 -1.334 -5.058 1.00 1.75 N ATOM 323 CZ ARG A 21 1.997 -0.545 -4.422 1.00 2.57 C ATOM 324 NH1 ARG A 21 1.586 0.597 -3.888 1.00 2.82 N ATOM 325 NH2 ARG A 21 3.271 -0.898 -4.320 1.00 3.62 N ATOM 326 H ARG A 21 -0.094 -3.289 -9.356 1.00 0.42 H ATOM 327 HA ARG A 21 0.511 -4.086 -6.741 1.00 0.54 H ATOM 328 HB2 ARG A 21 -0.322 -1.816 -7.533 1.00 0.87 H ATOM 329 HB3 ARG A 21 -1.937 -2.513 -7.535 1.00 0.91 H ATOM 330 HG2 ARG A 21 -2.134 -2.066 -5.380 1.00 1.92 H ATOM 331 HG3 ARG A 21 -0.746 -3.098 -5.032 1.00 1.97 H ATOM 332 HD2 ARG A 21 -0.393 -0.278 -5.988 1.00 0.97 H ATOM 333 HD3 ARG A 21 -0.663 -0.638 -4.283 1.00 1.18 H ATOM 334 HE ARG A 21 1.465 -2.173 -5.447 1.00 2.28 H ATOM 335 HH11 ARG A 21 0.626 0.867 -3.963 1.00 2.48 H ATOM 336 HH12 ARG A 21 2.235 1.187 -3.409 1.00 3.68 H ATOM 337 HH21 ARG A 21 3.587 -1.757 -4.721 1.00 3.92 H ATOM 338 HH22 ARG A 21 3.917 -0.304 -3.841 1.00 4.31 H ATOM 339 N ALA A 22 -2.108 -5.491 -8.039 1.00 0.40 N ATOM 340 CA ALA A 22 -3.119 -6.525 -7.856 1.00 0.40 C ATOM 341 C ALA A 22 -2.519 -7.783 -7.232 1.00 0.35 C ATOM 342 O ALA A 22 -3.223 -8.570 -6.601 1.00 0.37 O ATOM 343 CB ALA A 22 -3.778 -6.859 -9.186 1.00 0.48 C ATOM 344 H ALA A 22 -1.958 -5.124 -8.936 1.00 0.44 H ATOM 345 HA ALA A 22 -3.878 -6.136 -7.193 1.00 0.44 H ATOM 346 HB1 ALA A 22 -4.130 -5.949 -9.651 1.00 1.16 H ATOM 347 HB2 ALA A 22 -4.612 -7.523 -9.018 1.00 1.01 H ATOM 348 HB3 ALA A 22 -3.059 -7.339 -9.833 1.00 1.22 H ATOM 349 N GLN A 23 -1.214 -7.964 -7.415 1.00 0.36 N ATOM 350 CA GLN A 23 -0.518 -9.124 -6.869 1.00 0.39 C ATOM 351 C GLN A 23 -0.475 -9.067 -5.346 1.00 0.34 C ATOM 352 O GLN A 23 -0.698 -10.072 -4.672 1.00 0.42 O ATOM 353 CB GLN A 23 0.903 -9.199 -7.429 1.00 0.49 C ATOM 354 CG GLN A 23 1.319 -10.598 -7.852 1.00 0.96 C ATOM 355 CD GLN A 23 2.247 -10.593 -9.050 1.00 1.44 C ATOM 356 OE1 GLN A 23 1.809 -10.742 -10.190 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.540 -10.419 -8.797 1.00 2.10 N ATOM 358 H GLN A 23 -0.708 -7.301 -7.928 1.00 0.39 H ATOM 359 HA GLN A 23 -1.061 -10.007 -7.170 1.00 0.45 H ATOM 360 HB2 GLN A 23 0.974 -8.550 -8.288 1.00 0.90 H ATOM 361 HB3 GLN A 23 1.594 -8.855 -6.672 1.00 0.78 H ATOM 362 HG2 GLN A 23 1.826 -11.075 -7.026 1.00 1.64 H ATOM 363 HG3 GLN A 23 0.433 -11.162 -8.103 1.00 1.54 H ATOM 364 HE21 GLN A 23 3.817 -10.306 -7.864 1.00 2.42 H ATOM 365 HE22 GLN A 23 4.163 -10.412 -9.554 1.00 2.65 H ATOM 366 N LEU A 24 -0.185 -7.885 -4.812 1.00 0.29 N ATOM 367 CA LEU A 24 -0.110 -7.696 -3.368 1.00 0.30 C ATOM 368 C LEU A 24 -1.503 -7.658 -2.751 1.00 0.30 C ATOM 369 O LEU A 24 -1.738 -8.246 -1.697 1.00 0.31 O ATOM 370 CB LEU A 24 0.634 -6.403 -3.037 1.00 0.38 C ATOM 371 CG LEU A 24 0.977 -6.210 -1.560 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.307 -5.489 -1.409 1.00 1.51 C ATOM 373 CD2 LEU A 24 -0.132 -5.441 -0.861 1.00 1.40 C ATOM 374 H LEU A 24 -0.017 -7.122 -5.403 1.00 0.34 H ATOM 375 HA LEU A 24 0.431 -8.532 -2.951 1.00 0.31 H ATOM 376 HB2 LEU A 24 1.552 -6.383 -3.606 1.00 0.43 H ATOM 377 HB3 LEU A 24 0.019 -5.574 -3.347 1.00 0.42 H ATOM 378 HG LEU A 24 1.064 -7.178 -1.087 1.00 0.95 H ATOM 379 HD11 LEU A 24 3.077 -6.204 -1.159 1.00 2.13 H ATOM 380 HD12 LEU A 24 2.231 -4.754 -0.622 1.00 2.04 H ATOM 381 HD13 LEU A 24 2.558 -5.000 -2.338 1.00 2.07 H ATOM 382 HD21 LEU A 24 -1.050 -6.011 -0.913 1.00 2.03 H ATOM 383 HD22 LEU A 24 -0.272 -4.488 -1.349 1.00 2.03 H ATOM 384 HD23 LEU A 24 0.135 -5.283 0.173 1.00 1.87 H ATOM 385 N CYS A 25 -2.424 -6.965 -3.414 1.00 0.34 N ATOM 386 CA CYS A 25 -3.792 -6.855 -2.922 1.00 0.39 C ATOM 387 C CYS A 25 -4.407 -8.237 -2.755 1.00 0.39 C ATOM 388 O CYS A 25 -5.039 -8.532 -1.740 1.00 0.42 O ATOM 389 CB CYS A 25 -4.637 -6.018 -3.885 1.00 0.47 C ATOM 390 SG CYS A 25 -3.996 -4.352 -4.170 1.00 0.55 S ATOM 391 H CYS A 25 -2.178 -6.519 -4.251 1.00 0.36 H ATOM 392 HA CYS A 25 -3.763 -6.365 -1.960 1.00 0.42 H ATOM 393 HB2 CYS A 25 -4.681 -6.519 -4.840 1.00 0.57 H ATOM 394 HB3 CYS A 25 -5.636 -5.924 -3.486 1.00 0.51 H ATOM 395 HG CYS A 25 -3.255 -4.015 -3.124 1.00 0.92 H ATOM 396 N ALA A 26 -4.214 -9.081 -3.761 1.00 0.40 N ATOM 397 CA ALA A 26 -4.730 -10.441 -3.733 1.00 0.45 C ATOM 398 C ALA A 26 -4.120 -11.228 -2.581 1.00 0.42 C ATOM 399 O ALA A 26 -4.795 -12.022 -1.926 1.00 0.46 O ATOM 400 CB ALA A 26 -4.433 -11.134 -5.050 1.00 0.52 C ATOM 401 H ALA A 26 -3.710 -8.779 -4.545 1.00 0.41 H ATOM 402 HA ALA A 26 -5.801 -10.396 -3.605 1.00 0.51 H ATOM 403 HB1 ALA A 26 -4.932 -12.091 -5.074 1.00 1.12 H ATOM 404 HB2 ALA A 26 -3.366 -11.280 -5.143 1.00 1.05 H ATOM 405 HB3 ALA A 26 -4.787 -10.522 -5.866 1.00 1.21 H ATOM 406 N HIS A 27 -2.831 -11.003 -2.348 1.00 0.37 N ATOM 407 CA HIS A 27 -2.111 -11.689 -1.285 1.00 0.37 C ATOM 408 C HIS A 27 -2.689 -11.337 0.083 1.00 0.38 C ATOM 409 O HIS A 27 -3.162 -12.209 0.813 1.00 0.44 O ATOM 410 CB HIS A 27 -0.629 -11.315 -1.345 1.00 0.37 C ATOM 411 CG HIS A 27 0.164 -11.788 -0.166 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.048 -13.057 0.358 1.00 0.62 N ATOM 413 CD2 HIS A 27 1.092 -11.154 0.590 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.869 -13.184 1.387 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.514 -12.044 1.547 1.00 0.68 N ATOM 416 H HIS A 27 -2.354 -10.345 -2.898 1.00 0.36 H ATOM 417 HA HIS A 27 -2.212 -12.751 -1.445 1.00 0.43 H ATOM 418 HB2 HIS A 27 -0.193 -11.750 -2.233 1.00 0.48 H ATOM 419 HB3 HIS A 27 -0.543 -10.239 -1.401 1.00 0.37 H ATOM 420 HD1 HIS A 27 -0.547 -13.761 0.028 1.00 0.78 H ATOM 421 HD2 HIS A 27 1.438 -10.138 0.463 1.00 0.71 H ATOM 422 HE1 HIS A 27 0.993 -14.071 1.990 1.00 0.92 H ATOM 423 HE2 HIS A 27 2.105 -11.832 2.300 1.00 0.82 H ATOM 424 N LEU A 28 -2.646 -10.053 0.416 1.00 0.37 N ATOM 425 CA LEU A 28 -3.154 -9.566 1.693 1.00 0.45 C ATOM 426 C LEU A 28 -4.635 -9.897 1.860 1.00 0.49 C ATOM 427 O LEU A 28 -5.140 -9.966 2.980 1.00 0.51 O ATOM 428 CB LEU A 28 -2.942 -8.052 1.799 1.00 0.51 C ATOM 429 CG LEU A 28 -1.521 -7.610 2.170 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.145 -8.117 3.555 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.517 -8.094 1.133 1.00 0.99 C ATOM 432 H LEU A 28 -2.258 -9.412 -0.215 1.00 0.35 H ATOM 433 HA LEU A 28 -2.599 -10.054 2.479 1.00 0.48 H ATOM 434 HB2 LEU A 28 -3.196 -7.608 0.848 1.00 0.50 H ATOM 435 HB3 LEU A 28 -3.619 -7.668 2.547 1.00 0.63 H ATOM 436 HG LEU A 28 -1.484 -6.532 2.189 1.00 0.88 H ATOM 437 HD11 LEU A 28 -0.447 -7.431 4.011 1.00 1.61 H ATOM 438 HD12 LEU A 28 -0.689 -9.092 3.469 1.00 1.55 H ATOM 439 HD13 LEU A 28 -2.033 -8.187 4.165 1.00 1.66 H ATOM 440 HD21 LEU A 28 -0.566 -9.171 1.059 1.00 1.52 H ATOM 441 HD22 LEU A 28 0.479 -7.799 1.431 1.00 1.54 H ATOM 442 HD23 LEU A 28 -0.749 -7.656 0.172 1.00 1.56 H ATOM 443 N ASP A 29 -5.323 -10.099 0.741 1.00 0.60 N ATOM 444 CA ASP A 29 -6.745 -10.422 0.765 1.00 0.69 C ATOM 445 C ASP A 29 -6.999 -11.720 1.523 1.00 0.57 C ATOM 446 O ASP A 29 -7.993 -11.849 2.239 1.00 0.55 O ATOM 447 CB ASP A 29 -7.288 -10.536 -0.662 1.00 0.94 C ATOM 448 CG ASP A 29 -8.777 -10.821 -0.693 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.507 -10.258 0.150 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.212 -11.607 -1.560 1.00 1.12 O ATOM 451 H ASP A 29 -4.863 -10.029 -0.122 1.00 0.65 H ATOM 452 HA ASP A 29 -7.259 -9.617 1.271 1.00 0.74 H ATOM 453 HB2 ASP A 29 -7.108 -9.608 -1.184 1.00 1.21 H ATOM 454 HB3 ASP A 29 -6.775 -11.338 -1.171 1.00 1.06 H ATOM 455 N ALA A 30 -6.094 -12.680 1.362 1.00 0.56 N ATOM 456 CA ALA A 30 -6.220 -13.969 2.033 1.00 0.58 C ATOM 457 C ALA A 30 -6.024 -13.823 3.537 1.00 0.46 C ATOM 458 O ALA A 30 -6.588 -14.584 4.324 1.00 0.54 O ATOM 459 CB ALA A 30 -5.219 -14.964 1.463 1.00 0.68 C ATOM 460 H ALA A 30 -5.323 -12.519 0.780 1.00 0.59 H ATOM 461 HA ALA A 30 -7.214 -14.346 1.845 1.00 0.68 H ATOM 462 HB1 ALA A 30 -5.730 -15.881 1.208 1.00 1.21 H ATOM 463 HB2 ALA A 30 -4.457 -15.169 2.199 1.00 1.31 H ATOM 464 HB3 ALA A 30 -4.763 -14.548 0.577 1.00 1.15 H ATOM 465 N LEU A 31 -5.222 -12.839 3.930 1.00 0.37 N ATOM 466 CA LEU A 31 -4.949 -12.589 5.341 1.00 0.40 C ATOM 467 C LEU A 31 -6.172 -12.005 6.040 1.00 0.40 C ATOM 468 O LEU A 31 -6.252 -12.002 7.269 1.00 0.45 O ATOM 469 CB LEU A 31 -3.759 -11.642 5.491 1.00 0.45 C ATOM 470 CG LEU A 31 -2.516 -12.265 6.124 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.650 -12.925 5.063 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.723 -11.214 6.886 1.00 1.16 C ATOM 473 H LEU A 31 -4.801 -12.266 3.255 1.00 0.39 H ATOM 474 HA LEU A 31 -4.703 -13.535 5.803 1.00 0.51 H ATOM 475 HB2 LEU A 31 -3.494 -11.273 4.511 1.00 0.45 H ATOM 476 HB3 LEU A 31 -4.066 -10.806 6.101 1.00 0.52 H ATOM 477 HG LEU A 31 -2.821 -13.028 6.826 1.00 0.64 H ATOM 478 HD11 LEU A 31 -2.098 -12.777 4.091 1.00 1.64 H ATOM 479 HD12 LEU A 31 -1.573 -13.981 5.267 1.00 1.52 H ATOM 480 HD13 LEU A 31 -0.664 -12.482 5.075 1.00 1.65 H ATOM 481 HD21 LEU A 31 -2.068 -11.175 7.908 1.00 1.61 H ATOM 482 HD22 LEU A 31 -1.866 -10.250 6.422 1.00 1.69 H ATOM 483 HD23 LEU A 31 -0.675 -11.471 6.869 1.00 1.66 H ATOM 484 N ASP A 32 -7.122 -11.513 5.248 1.00 0.40 N ATOM 485 CA ASP A 32 -8.344 -10.922 5.788 1.00 0.46 C ATOM 486 C ASP A 32 -8.020 -9.805 6.776 1.00 0.46 C ATOM 487 O ASP A 32 -8.486 -9.813 7.917 1.00 0.57 O ATOM 488 CB ASP A 32 -9.198 -11.997 6.467 1.00 0.52 C ATOM 489 CG ASP A 32 -10.678 -11.676 6.421 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.341 -12.072 5.440 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.174 -11.026 7.365 1.00 2.03 O ATOM 492 H ASP A 32 -6.998 -11.546 4.277 1.00 0.39 H ATOM 493 HA ASP A 32 -8.900 -10.504 4.962 1.00 0.51 H ATOM 494 HB2 ASP A 32 -9.038 -12.942 5.969 1.00 0.89 H ATOM 495 HB3 ASP A 32 -8.899 -12.084 7.502 1.00 0.90 H ATOM 496 N VAL A 33 -7.218 -8.844 6.328 1.00 0.42 N ATOM 497 CA VAL A 33 -6.829 -7.717 7.167 1.00 0.43 C ATOM 498 C VAL A 33 -6.926 -6.403 6.398 1.00 0.42 C ATOM 499 O VAL A 33 -6.153 -5.474 6.635 1.00 0.52 O ATOM 500 CB VAL A 33 -5.392 -7.883 7.699 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.314 -9.048 8.675 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.415 -8.076 6.548 1.00 0.50 C ATOM 503 H VAL A 33 -6.879 -8.896 5.410 1.00 0.44 H ATOM 504 HA VAL A 33 -7.502 -7.681 8.011 1.00 0.45 H ATOM 505 HB VAL A 33 -5.119 -6.982 8.227 1.00 0.50 H ATOM 506 HG11 VAL A 33 -6.261 -9.566 8.693 1.00 0.97 H ATOM 507 HG12 VAL A 33 -5.087 -8.675 9.662 1.00 1.18 H ATOM 508 HG13 VAL A 33 -4.536 -9.729 8.360 1.00 1.31 H ATOM 509 HG21 VAL A 33 -3.411 -8.159 6.938 1.00 1.14 H ATOM 510 HG22 VAL A 33 -4.473 -7.228 5.882 1.00 1.17 H ATOM 511 HG23 VAL A 33 -4.667 -8.975 6.008 1.00 1.07 H ATOM 512 N TRP A 34 -7.883 -6.331 5.478 1.00 0.39 N ATOM 513 CA TRP A 34 -8.079 -5.132 4.672 1.00 0.38 C ATOM 514 C TRP A 34 -8.525 -3.959 5.542 1.00 0.33 C ATOM 515 O TRP A 34 -8.113 -2.820 5.324 1.00 0.34 O ATOM 516 CB TRP A 34 -9.109 -5.393 3.569 1.00 0.40 C ATOM 517 CG TRP A 34 -10.475 -5.727 4.090 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.893 -6.931 4.582 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.601 -4.847 4.170 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.212 -6.852 4.962 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.668 -5.582 4.720 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.811 -3.508 3.831 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.925 -5.023 4.936 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.059 -2.953 4.047 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.102 -3.710 4.595 1.00 0.50 C ATOM 526 H TRP A 34 -8.471 -7.102 5.338 1.00 0.46 H ATOM 527 HA TRP A 34 -7.134 -4.883 4.216 1.00 0.42 H ATOM 528 HB2 TRP A 34 -9.195 -4.513 2.951 1.00 0.40 H ATOM 529 HB3 TRP A 34 -8.771 -6.220 2.962 1.00 0.48 H ATOM 530 HD1 TRP A 34 -10.269 -7.809 4.654 1.00 0.55 H ATOM 531 HE1 TRP A 34 -12.738 -7.584 5.346 1.00 0.58 H ATOM 532 HE3 TRP A 34 -11.020 -2.907 3.406 1.00 0.39 H ATOM 533 HZ2 TRP A 34 -14.740 -5.593 5.358 1.00 0.58 H ATOM 534 HZ3 TRP A 34 -13.240 -1.919 3.790 1.00 0.51 H ATOM 535 HH2 TRP A 34 -15.061 -3.236 4.746 1.00 0.58 H ATOM 536 N GLN A 35 -9.369 -4.250 6.526 1.00 0.32 N ATOM 537 CA GLN A 35 -9.871 -3.224 7.433 1.00 0.33 C ATOM 538 C GLN A 35 -8.737 -2.621 8.255 1.00 0.32 C ATOM 539 O GLN A 35 -8.797 -1.457 8.654 1.00 0.35 O ATOM 540 CB GLN A 35 -10.936 -3.813 8.361 1.00 0.38 C ATOM 541 CG GLN A 35 -11.845 -2.767 8.986 1.00 1.12 C ATOM 542 CD GLN A 35 -11.902 -2.874 10.497 1.00 1.61 C ATOM 543 OE1 GLN A 35 -12.806 -3.498 11.053 1.00 2.15 O ATOM 544 NE2 GLN A 35 -10.935 -2.263 11.170 1.00 2.32 N ATOM 545 H GLN A 35 -9.661 -5.177 6.645 1.00 0.34 H ATOM 546 HA GLN A 35 -10.320 -2.445 6.835 1.00 0.35 H ATOM 547 HB2 GLN A 35 -11.548 -4.501 7.798 1.00 0.80 H ATOM 548 HB3 GLN A 35 -10.444 -4.352 9.157 1.00 0.65 H ATOM 549 HG2 GLN A 35 -11.477 -1.786 8.723 1.00 1.65 H ATOM 550 HG3 GLN A 35 -12.842 -2.894 8.592 1.00 1.62 H ATOM 551 HE21 GLN A 35 -10.248 -1.785 10.661 1.00 2.65 H ATOM 552 HE22 GLN A 35 -10.947 -2.316 12.149 1.00 2.82 H ATOM 553 N GLN A 36 -7.704 -3.420 8.506 1.00 0.33 N ATOM 554 CA GLN A 36 -6.554 -2.966 9.282 1.00 0.38 C ATOM 555 C GLN A 36 -5.711 -1.983 8.483 1.00 0.37 C ATOM 556 O GLN A 36 -4.775 -1.386 9.012 1.00 0.46 O ATOM 557 CB GLN A 36 -5.698 -4.157 9.719 1.00 0.45 C ATOM 558 CG GLN A 36 -6.068 -4.701 11.088 1.00 1.54 C ATOM 559 CD GLN A 36 -6.584 -6.125 11.032 1.00 2.38 C ATOM 560 OE1 GLN A 36 -6.247 -6.954 11.877 1.00 3.29 O ATOM 561 NE2 GLN A 36 -7.408 -6.419 10.032 1.00 2.41 N ATOM 562 H GLN A 36 -7.714 -4.337 8.160 1.00 0.34 H ATOM 563 HA GLN A 36 -6.927 -2.460 10.160 1.00 0.41 H ATOM 564 HB2 GLN A 36 -5.812 -4.952 8.996 1.00 0.81 H ATOM 565 HB3 GLN A 36 -4.663 -3.850 9.744 1.00 1.15 H ATOM 566 HG2 GLN A 36 -5.192 -4.678 11.720 1.00 1.91 H ATOM 567 HG3 GLN A 36 -6.835 -4.072 11.516 1.00 2.03 H ATOM 568 HE21 GLN A 36 -7.633 -5.709 9.395 1.00 2.08 H ATOM 569 HE22 GLN A 36 -7.757 -7.333 9.973 1.00 3.02 H ATOM 570 N LEU A 37 -6.042 -1.825 7.207 1.00 0.37 N ATOM 571 CA LEU A 37 -5.322 -0.901 6.342 1.00 0.40 C ATOM 572 C LEU A 37 -6.026 0.452 6.319 1.00 0.38 C ATOM 573 O LEU A 37 -5.434 1.477 6.657 1.00 0.42 O ATOM 574 CB LEU A 37 -5.219 -1.465 4.923 1.00 0.43 C ATOM 575 CG LEU A 37 -4.377 -2.736 4.792 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.873 -3.588 3.635 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.909 -2.383 4.606 1.00 0.65 C ATOM 578 H LEU A 37 -6.788 -2.343 6.839 1.00 0.42 H ATOM 579 HA LEU A 37 -4.329 -0.771 6.745 1.00 0.44 H ATOM 580 HB2 LEU A 37 -6.217 -1.680 4.571 1.00 0.48 H ATOM 581 HB3 LEU A 37 -4.787 -0.706 4.288 1.00 0.51 H ATOM 582 HG LEU A 37 -4.469 -3.316 5.698 1.00 0.50 H ATOM 583 HD11 LEU A 37 -4.089 -3.682 2.896 1.00 1.16 H ATOM 584 HD12 LEU A 37 -5.736 -3.121 3.187 1.00 1.18 H ATOM 585 HD13 LEU A 37 -5.141 -4.568 4.000 1.00 1.03 H ATOM 586 HD21 LEU A 37 -2.777 -1.885 3.656 1.00 1.15 H ATOM 587 HD22 LEU A 37 -2.318 -3.286 4.624 1.00 1.27 H ATOM 588 HD23 LEU A 37 -2.592 -1.728 5.403 1.00 1.24 H ATOM 589 N ALA A 38 -7.291 0.441 5.908 1.00 0.36 N ATOM 590 CA ALA A 38 -8.093 1.658 5.849 1.00 0.37 C ATOM 591 C ALA A 38 -8.052 2.408 7.177 1.00 0.36 C ATOM 592 O ALA A 38 -7.693 3.584 7.228 1.00 0.41 O ATOM 593 CB ALA A 38 -9.529 1.323 5.476 1.00 0.39 C ATOM 594 H ALA A 38 -7.697 -0.409 5.638 1.00 0.35 H ATOM 595 HA ALA A 38 -7.683 2.291 5.077 1.00 0.42 H ATOM 596 HB1 ALA A 38 -10.169 1.473 6.333 1.00 1.02 H ATOM 597 HB2 ALA A 38 -9.588 0.292 5.158 1.00 0.99 H ATOM 598 HB3 ALA A 38 -9.851 1.966 4.670 1.00 1.07 H ATOM 599 N THR A 39 -8.429 1.719 8.250 1.00 0.33 N ATOM 600 CA THR A 39 -8.438 2.313 9.582 1.00 0.36 C ATOM 601 C THR A 39 -7.040 2.755 10.004 1.00 0.37 C ATOM 602 O THR A 39 -6.883 3.766 10.690 1.00 0.40 O ATOM 603 CB THR A 39 -8.992 1.334 10.632 1.00 0.39 C ATOM 604 OG1 THR A 39 -10.052 0.554 10.065 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.505 2.084 11.852 1.00 0.51 C ATOM 606 H THR A 39 -8.710 0.785 8.142 1.00 0.33 H ATOM 607 HA THR A 39 -9.083 3.179 9.554 1.00 0.40 H ATOM 608 HB THR A 39 -8.196 0.675 10.942 1.00 0.42 H ATOM 609 HG1 THR A 39 -10.675 1.135 9.621 1.00 0.88 H ATOM 610 HG21 THR A 39 -8.873 2.938 12.043 1.00 1.22 H ATOM 611 HG22 THR A 39 -9.491 1.427 12.710 1.00 1.10 H ATOM 612 HG23 THR A 39 -10.517 2.417 11.671 1.00 1.11 H ATOM 613 N ALA A 40 -6.028 1.990 9.601 1.00 0.38 N ATOM 614 CA ALA A 40 -4.644 2.315 9.941 1.00 0.43 C ATOM 615 C ALA A 40 -4.273 3.719 9.476 1.00 0.42 C ATOM 616 O ALA A 40 -3.495 4.413 10.131 1.00 0.47 O ATOM 617 CB ALA A 40 -3.693 1.294 9.334 1.00 0.47 C ATOM 618 H ALA A 40 -6.216 1.183 9.074 1.00 0.37 H ATOM 619 HA ALA A 40 -4.546 2.266 11.015 1.00 0.47 H ATOM 620 HB1 ALA A 40 -4.092 0.945 8.393 1.00 1.08 H ATOM 621 HB2 ALA A 40 -3.583 0.459 10.010 1.00 1.13 H ATOM 622 HB3 ALA A 40 -2.730 1.753 9.169 1.00 1.15 H ATOM 623 N VAL A 41 -4.833 4.134 8.343 1.00 0.38 N ATOM 624 CA VAL A 41 -4.559 5.458 7.797 1.00 0.40 C ATOM 625 C VAL A 41 -5.711 6.414 8.085 1.00 0.41 C ATOM 626 O VAL A 41 -5.709 7.559 7.630 1.00 0.47 O ATOM 627 CB VAL A 41 -4.313 5.406 6.276 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.004 4.695 5.972 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.474 4.726 5.565 1.00 0.45 C ATOM 630 H VAL A 41 -5.444 3.535 7.863 1.00 0.36 H ATOM 631 HA VAL A 41 -3.665 5.835 8.273 1.00 0.44 H ATOM 632 HB VAL A 41 -4.239 6.420 5.910 1.00 0.45 H ATOM 633 HG11 VAL A 41 -2.496 4.464 6.897 1.00 1.17 H ATOM 634 HG12 VAL A 41 -2.377 5.336 5.369 1.00 1.14 H ATOM 635 HG13 VAL A 41 -3.206 3.780 5.436 1.00 1.12 H ATOM 636 HG21 VAL A 41 -6.373 5.308 5.706 1.00 1.15 H ATOM 637 HG22 VAL A 41 -5.618 3.737 5.975 1.00 1.15 H ATOM 638 HG23 VAL A 41 -5.255 4.650 4.510 1.00 1.04 H ATOM 639 N LYS A 42 -6.691 5.931 8.846 1.00 0.38 N ATOM 640 CA LYS A 42 -7.858 6.733 9.210 1.00 0.41 C ATOM 641 C LYS A 42 -8.628 7.177 7.971 1.00 0.43 C ATOM 642 O LYS A 42 -8.227 8.115 7.281 1.00 0.53 O ATOM 643 CB LYS A 42 -7.434 7.956 10.027 1.00 0.51 C ATOM 644 CG LYS A 42 -8.092 8.034 11.398 1.00 0.77 C ATOM 645 CD LYS A 42 -9.604 8.166 11.290 1.00 1.05 C ATOM 646 CE LYS A 42 -10.012 9.539 10.781 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.689 10.614 11.758 1.00 2.14 N ATOM 648 H LYS A 42 -6.629 5.010 9.171 1.00 0.38 H ATOM 649 HA LYS A 42 -8.504 6.115 9.815 1.00 0.41 H ATOM 650 HB2 LYS A 42 -6.364 7.926 10.168 1.00 0.64 H ATOM 651 HB3 LYS A 42 -7.692 8.848 9.477 1.00 0.71 H ATOM 652 HG2 LYS A 42 -7.857 7.137 11.949 1.00 1.47 H ATOM 653 HG3 LYS A 42 -7.701 8.894 11.924 1.00 1.50 H ATOM 654 HD2 LYS A 42 -9.973 7.416 10.608 1.00 1.74 H ATOM 655 HD3 LYS A 42 -10.037 8.012 12.268 1.00 1.61 H ATOM 656 HE2 LYS A 42 -9.489 9.736 9.856 1.00 1.61 H ATOM 657 HE3 LYS A 42 -11.076 9.539 10.596 1.00 1.69 H ATOM 658 HZ1 LYS A 42 -8.706 10.928 11.633 1.00 2.54 H ATOM 659 HZ2 LYS A 42 -9.807 10.262 12.729 1.00 2.60 H ATOM 660 HZ3 LYS A 42 -10.322 11.427 11.617 1.00 2.61 H ATOM 661 N LEU A 43 -9.739 6.502 7.697 1.00 0.41 N ATOM 662 CA LEU A 43 -10.564 6.831 6.541 1.00 0.49 C ATOM 663 C LEU A 43 -12.036 6.916 6.927 1.00 0.49 C ATOM 664 O LEU A 43 -12.459 6.342 7.931 1.00 0.52 O ATOM 665 CB LEU A 43 -10.375 5.788 5.438 1.00 0.56 C ATOM 666 CG LEU A 43 -9.501 6.235 4.264 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.230 5.068 3.326 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.162 7.382 3.512 1.00 1.03 C ATOM 669 H LEU A 43 -10.013 5.768 8.287 1.00 0.40 H ATOM 670 HA LEU A 43 -10.247 7.794 6.170 1.00 0.56 H ATOM 671 HB2 LEU A 43 -9.928 4.907 5.878 1.00 0.76 H ATOM 672 HB3 LEU A 43 -11.348 5.524 5.052 1.00 0.95 H ATOM 673 HG LEU A 43 -8.552 6.585 4.643 1.00 0.81 H ATOM 674 HD11 LEU A 43 -9.413 5.376 2.307 1.00 1.48 H ATOM 675 HD12 LEU A 43 -9.884 4.245 3.576 1.00 1.19 H ATOM 676 HD13 LEU A 43 -8.202 4.755 3.429 1.00 1.27 H ATOM 677 HD21 LEU A 43 -11.220 7.391 3.728 1.00 1.58 H ATOM 678 HD22 LEU A 43 -10.012 7.252 2.450 1.00 1.54 H ATOM 679 HD23 LEU A 43 -9.724 8.317 3.825 1.00 1.41 H ATOM 680 N TYR A 44 -12.813 7.635 6.122 1.00 0.50 N ATOM 681 CA TYR A 44 -14.238 7.793 6.378 1.00 0.53 C ATOM 682 C TYR A 44 -14.977 6.476 6.145 1.00 0.48 C ATOM 683 O TYR A 44 -14.710 5.774 5.169 1.00 0.48 O ATOM 684 CB TYR A 44 -14.824 8.886 5.484 1.00 0.60 C ATOM 685 CG TYR A 44 -14.037 10.177 5.507 1.00 0.74 C ATOM 686 CD1 TYR A 44 -13.982 10.959 6.655 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.347 10.612 4.382 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.263 12.139 6.679 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.626 11.790 4.400 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.586 12.550 5.550 1.00 1.16 C ATOM 691 OH TYR A 44 -11.868 13.724 5.571 1.00 1.41 O ATOM 692 H TYR A 44 -12.416 8.069 5.338 1.00 0.52 H ATOM 693 HA TYR A 44 -14.355 8.083 7.412 1.00 0.59 H ATOM 694 HB2 TYR A 44 -14.848 8.532 4.464 1.00 0.64 H ATOM 695 HB3 TYR A 44 -15.831 9.105 5.808 1.00 0.66 H ATOM 696 HD1 TYR A 44 -14.513 10.635 7.537 1.00 1.06 H ATOM 697 HD2 TYR A 44 -13.381 10.015 3.483 1.00 1.03 H ATOM 698 HE1 TYR A 44 -13.232 12.733 7.581 1.00 1.39 H ATOM 699 HE2 TYR A 44 -12.096 12.112 3.515 1.00 1.31 H ATOM 700 HH TYR A 44 -10.996 13.572 5.199 1.00 1.68 H ATOM 701 N PRO A 45 -15.920 6.121 7.039 1.00 0.62 N ATOM 702 CA PRO A 45 -16.693 4.878 6.921 1.00 0.65 C ATOM 703 C PRO A 45 -17.496 4.811 5.624 1.00 0.65 C ATOM 704 O PRO A 45 -17.869 3.728 5.172 1.00 0.70 O ATOM 705 CB PRO A 45 -17.632 4.918 8.132 1.00 0.86 C ATOM 706 CG PRO A 45 -16.988 5.864 9.085 1.00 1.32 C ATOM 707 CD PRO A 45 -16.304 6.892 8.234 1.00 0.87 C ATOM 708 HA PRO A 45 -16.053 4.010 6.988 1.00 0.62 H ATOM 709 HB2 PRO A 45 -18.606 5.270 7.825 1.00 0.86 H ATOM 710 HB3 PRO A 45 -17.719 3.929 8.556 1.00 0.92 H ATOM 711 HG2 PRO A 45 -17.736 6.328 9.710 1.00 1.78 H ATOM 712 HG3 PRO A 45 -16.263 5.339 9.692 1.00 1.75 H ATOM 713 HD2 PRO A 45 -16.988 7.687 7.980 1.00 0.94 H ATOM 714 HD3 PRO A 45 -15.434 7.283 8.739 1.00 0.88 H ATOM 715 N ASP A 46 -17.759 5.972 5.030 1.00 0.67 N ATOM 716 CA ASP A 46 -18.516 6.037 3.784 1.00 0.74 C ATOM 717 C ASP A 46 -17.715 5.441 2.631 1.00 0.69 C ATOM 718 O ASP A 46 -18.281 4.865 1.701 1.00 0.76 O ATOM 719 CB ASP A 46 -18.894 7.484 3.465 1.00 0.89 C ATOM 720 CG ASP A 46 -19.772 7.595 2.233 1.00 1.26 C ATOM 721 OD1 ASP A 46 -19.227 7.555 1.109 1.00 2.01 O ATOM 722 OD2 ASP A 46 -21.004 7.723 2.391 1.00 1.77 O ATOM 723 H ASP A 46 -17.438 6.803 5.439 1.00 0.68 H ATOM 724 HA ASP A 46 -19.419 5.459 3.915 1.00 0.80 H ATOM 725 HB2 ASP A 46 -19.431 7.901 4.302 1.00 1.32 H ATOM 726 HB3 ASP A 46 -17.994 8.056 3.297 1.00 1.46 H ATOM 727 N GLN A 47 -16.395 5.584 2.699 1.00 0.63 N ATOM 728 CA GLN A 47 -15.512 5.056 1.664 1.00 0.68 C ATOM 729 C GLN A 47 -15.318 3.553 1.838 1.00 0.61 C ATOM 730 O GLN A 47 -15.159 2.820 0.861 1.00 0.65 O ATOM 731 CB GLN A 47 -14.157 5.768 1.706 1.00 0.75 C ATOM 732 CG GLN A 47 -14.267 7.284 1.702 1.00 0.78 C ATOM 733 CD GLN A 47 -13.600 7.913 0.494 1.00 1.21 C ATOM 734 OE1 GLN A 47 -12.547 8.543 0.609 1.00 1.94 O ATOM 735 NE2 GLN A 47 -14.211 7.748 -0.674 1.00 1.56 N ATOM 736 H GLN A 47 -16.004 6.056 3.463 1.00 0.60 H ATOM 737 HA GLN A 47 -15.976 5.239 0.706 1.00 0.79 H ATOM 738 HB2 GLN A 47 -13.636 5.469 2.602 1.00 1.16 H ATOM 739 HB3 GLN A 47 -13.579 5.468 0.846 1.00 1.29 H ATOM 740 HG2 GLN A 47 -15.311 7.558 1.699 1.00 1.16 H ATOM 741 HG3 GLN A 47 -13.796 7.669 2.595 1.00 1.11 H ATOM 742 HE21 GLN A 47 -15.046 7.236 -0.690 1.00 1.96 H ATOM 743 HE22 GLN A 47 -13.800 8.143 -1.471 1.00 1.82 H ATOM 744 N VAL A 48 -15.331 3.102 3.088 1.00 0.57 N ATOM 745 CA VAL A 48 -15.165 1.687 3.395 1.00 0.57 C ATOM 746 C VAL A 48 -16.317 0.867 2.824 1.00 0.55 C ATOM 747 O VAL A 48 -16.137 -0.284 2.429 1.00 0.51 O ATOM 748 CB VAL A 48 -15.085 1.449 4.916 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.756 -0.006 5.216 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.058 2.376 5.549 1.00 0.75 C ATOM 751 H VAL A 48 -15.457 3.738 3.824 1.00 0.57 H ATOM 752 HA VAL A 48 -14.239 1.354 2.949 1.00 0.62 H ATOM 753 HB VAL A 48 -16.051 1.671 5.345 1.00 0.66 H ATOM 754 HG11 VAL A 48 -14.065 -0.056 6.045 1.00 1.27 H ATOM 755 HG12 VAL A 48 -14.307 -0.461 4.346 1.00 1.50 H ATOM 756 HG13 VAL A 48 -15.662 -0.535 5.471 1.00 1.39 H ATOM 757 HG21 VAL A 48 -14.311 3.402 5.322 1.00 1.21 H ATOM 758 HG22 VAL A 48 -13.078 2.152 5.153 1.00 1.17 H ATOM 759 HG23 VAL A 48 -14.055 2.234 6.619 1.00 1.28 H ATOM 760 N GLU A 49 -17.500 1.473 2.784 1.00 0.60 N ATOM 761 CA GLU A 49 -18.688 0.807 2.260 1.00 0.63 C ATOM 762 C GLU A 49 -18.495 0.411 0.799 1.00 0.57 C ATOM 763 O GLU A 49 -18.804 -0.713 0.404 1.00 0.57 O ATOM 764 CB GLU A 49 -19.908 1.720 2.394 1.00 0.73 C ATOM 765 CG GLU A 49 -21.057 1.096 3.169 1.00 0.87 C ATOM 766 CD GLU A 49 -22.191 0.646 2.270 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.116 -0.480 1.736 1.00 2.44 O ATOM 768 OE2 GLU A 49 -23.156 1.421 2.098 1.00 1.73 O ATOM 769 H GLU A 49 -17.576 2.391 3.116 1.00 0.64 H ATOM 770 HA GLU A 49 -18.852 -0.087 2.845 1.00 0.65 H ATOM 771 HB2 GLU A 49 -19.611 2.628 2.900 1.00 0.88 H ATOM 772 HB3 GLU A 49 -20.264 1.971 1.406 1.00 0.83 H ATOM 773 HG2 GLU A 49 -20.685 0.237 3.710 1.00 1.08 H ATOM 774 HG3 GLU A 49 -21.438 1.824 3.870 1.00 1.41 H ATOM 775 N GLN A 50 -17.984 1.346 0.003 1.00 0.56 N ATOM 776 CA GLN A 50 -17.751 1.104 -1.417 1.00 0.55 C ATOM 777 C GLN A 50 -16.801 -0.070 -1.632 1.00 0.48 C ATOM 778 O GLN A 50 -16.915 -0.800 -2.616 1.00 0.56 O ATOM 779 CB GLN A 50 -17.182 2.359 -2.081 1.00 0.59 C ATOM 780 CG GLN A 50 -17.763 2.637 -3.457 1.00 0.91 C ATOM 781 CD GLN A 50 -17.582 4.080 -3.885 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.357 4.955 -3.501 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.554 4.335 -4.686 1.00 1.46 N ATOM 784 H GLN A 50 -17.758 2.222 0.380 1.00 0.57 H ATOM 785 HA GLN A 50 -18.702 0.869 -1.873 1.00 0.62 H ATOM 786 HB2 GLN A 50 -17.386 3.211 -1.449 1.00 0.87 H ATOM 787 HB3 GLN A 50 -16.113 2.245 -2.181 1.00 0.86 H ATOM 788 HG2 GLN A 50 -17.271 2.000 -4.176 1.00 1.41 H ATOM 789 HG3 GLN A 50 -18.819 2.411 -3.439 1.00 1.41 H ATOM 790 HE21 GLN A 50 -15.977 3.589 -4.952 1.00 1.49 H ATOM 791 HE22 GLN A 50 -16.414 5.260 -4.979 1.00 1.96 H ATOM 792 N ILE A 51 -15.863 -0.246 -0.706 1.00 0.40 N ATOM 793 CA ILE A 51 -14.891 -1.330 -0.800 1.00 0.38 C ATOM 794 C ILE A 51 -15.513 -2.665 -0.403 1.00 0.41 C ATOM 795 O ILE A 51 -15.359 -3.665 -1.106 1.00 0.47 O ATOM 796 CB ILE A 51 -13.663 -1.063 0.091 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.134 0.354 -0.141 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.575 -2.091 -0.181 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.285 0.878 0.998 1.00 0.42 C ATOM 800 H ILE A 51 -15.824 0.366 0.058 1.00 0.40 H ATOM 801 HA ILE A 51 -14.559 -1.390 -1.827 1.00 0.42 H ATOM 802 HB ILE A 51 -13.966 -1.161 1.123 1.00 0.39 H ATOM 803 HG12 ILE A 51 -12.529 0.364 -1.035 1.00 0.42 H ATOM 804 HG13 ILE A 51 -13.969 1.028 -0.269 1.00 0.44 H ATOM 805 HG21 ILE A 51 -12.684 -2.471 -1.186 1.00 1.08 H ATOM 806 HG22 ILE A 51 -12.664 -2.904 0.524 1.00 1.07 H ATOM 807 HG23 ILE A 51 -11.606 -1.626 -0.074 1.00 1.05 H ATOM 808 HD11 ILE A 51 -12.192 0.115 1.757 1.00 1.10 H ATOM 809 HD12 ILE A 51 -12.755 1.753 1.424 1.00 1.12 H ATOM 810 HD13 ILE A 51 -11.305 1.139 0.627 1.00 1.03 H ATOM 811 N SER A 52 -16.211 -2.672 0.727 1.00 0.43 N ATOM 812 CA SER A 52 -16.860 -3.881 1.229 1.00 0.50 C ATOM 813 C SER A 52 -17.775 -4.498 0.174 1.00 0.52 C ATOM 814 O SER A 52 -17.666 -5.685 -0.137 1.00 0.59 O ATOM 815 CB SER A 52 -17.663 -3.562 2.490 1.00 0.57 C ATOM 816 OG SER A 52 -17.934 -4.737 3.233 1.00 1.42 O ATOM 817 H SER A 52 -16.294 -1.842 1.239 1.00 0.43 H ATOM 818 HA SER A 52 -16.087 -4.591 1.477 1.00 0.53 H ATOM 819 HB2 SER A 52 -17.101 -2.881 3.111 1.00 0.99 H ATOM 820 HB3 SER A 52 -18.601 -3.103 2.212 1.00 1.01 H ATOM 821 HG SER A 52 -18.845 -5.004 3.091 1.00 1.81 H ATOM 822 N SER A 53 -18.677 -3.686 -0.369 1.00 0.54 N ATOM 823 CA SER A 53 -19.618 -4.151 -1.384 1.00 0.60 C ATOM 824 C SER A 53 -18.887 -4.723 -2.595 1.00 0.63 C ATOM 825 O SER A 53 -19.292 -5.744 -3.150 1.00 0.70 O ATOM 826 CB SER A 53 -20.533 -3.005 -1.822 1.00 0.68 C ATOM 827 OG SER A 53 -21.470 -3.444 -2.789 1.00 0.93 O ATOM 828 H SER A 53 -18.712 -2.750 -0.079 1.00 0.56 H ATOM 829 HA SER A 53 -20.221 -4.930 -0.943 1.00 0.65 H ATOM 830 HB2 SER A 53 -21.069 -2.628 -0.965 1.00 1.11 H ATOM 831 HB3 SER A 53 -19.936 -2.214 -2.250 1.00 0.91 H ATOM 832 HG SER A 53 -21.173 -3.184 -3.664 1.00 1.47 H ATOM 833 N GLN A 54 -17.809 -4.058 -2.999 1.00 0.67 N ATOM 834 CA GLN A 54 -17.023 -4.500 -4.146 1.00 0.80 C ATOM 835 C GLN A 54 -16.426 -5.885 -3.906 1.00 0.81 C ATOM 836 O GLN A 54 -16.413 -6.728 -4.802 1.00 0.97 O ATOM 837 CB GLN A 54 -15.909 -3.495 -4.441 1.00 0.94 C ATOM 838 CG GLN A 54 -16.119 -2.714 -5.727 1.00 1.35 C ATOM 839 CD GLN A 54 -15.662 -3.478 -6.953 1.00 1.75 C ATOM 840 OE1 GLN A 54 -16.239 -4.506 -7.309 1.00 2.48 O ATOM 841 NE2 GLN A 54 -14.622 -2.980 -7.610 1.00 2.07 N ATOM 842 H GLN A 54 -17.536 -3.252 -2.515 1.00 0.68 H ATOM 843 HA GLN A 54 -17.683 -4.550 -5.000 1.00 0.88 H ATOM 844 HB2 GLN A 54 -15.849 -2.792 -3.623 1.00 1.37 H ATOM 845 HB3 GLN A 54 -14.971 -4.027 -4.515 1.00 1.11 H ATOM 846 HG2 GLN A 54 -17.170 -2.491 -5.831 1.00 1.65 H ATOM 847 HG3 GLN A 54 -15.560 -1.791 -5.668 1.00 1.82 H ATOM 848 HE21 GLN A 54 -14.211 -2.157 -7.269 1.00 2.29 H ATOM 849 HE22 GLN A 54 -14.305 -3.454 -8.405 1.00 2.50 H ATOM 850 N LYS A 55 -15.935 -6.111 -2.691 1.00 0.68 N ATOM 851 CA LYS A 55 -15.332 -7.391 -2.331 1.00 0.73 C ATOM 852 C LYS A 55 -16.331 -8.535 -2.480 1.00 0.86 C ATOM 853 O LYS A 55 -15.951 -9.667 -2.780 1.00 1.12 O ATOM 854 CB LYS A 55 -14.808 -7.342 -0.892 1.00 0.65 C ATOM 855 CG LYS A 55 -14.287 -8.677 -0.384 1.00 0.74 C ATOM 856 CD LYS A 55 -13.982 -8.626 1.105 1.00 0.76 C ATOM 857 CE LYS A 55 -12.492 -8.484 1.362 1.00 1.36 C ATOM 858 NZ LYS A 55 -11.934 -9.669 2.071 1.00 1.77 N ATOM 859 H LYS A 55 -15.979 -5.400 -2.019 1.00 0.62 H ATOM 860 HA LYS A 55 -14.503 -7.566 -2.999 1.00 0.83 H ATOM 861 HB2 LYS A 55 -14.002 -6.624 -0.840 1.00 0.69 H ATOM 862 HB3 LYS A 55 -15.607 -7.020 -0.242 1.00 0.67 H ATOM 863 HG2 LYS A 55 -15.035 -9.435 -0.561 1.00 0.98 H ATOM 864 HG3 LYS A 55 -13.383 -8.927 -0.918 1.00 0.89 H ATOM 865 HD2 LYS A 55 -14.495 -7.781 1.538 1.00 1.19 H ATOM 866 HD3 LYS A 55 -14.335 -9.538 1.566 1.00 1.48 H ATOM 867 HE2 LYS A 55 -11.985 -8.370 0.416 1.00 2.04 H ATOM 868 HE3 LYS A 55 -12.327 -7.603 1.967 1.00 1.88 H ATOM 869 HZ1 LYS A 55 -12.596 -9.993 2.804 1.00 2.11 H ATOM 870 HZ2 LYS A 55 -11.029 -9.423 2.522 1.00 2.00 H ATOM 871 HZ3 LYS A 55 -11.772 -10.445 1.398 1.00 2.30 H ATOM 872 N GLN A 56 -17.609 -8.232 -2.273 1.00 0.79 N ATOM 873 CA GLN A 56 -18.659 -9.238 -2.380 1.00 0.97 C ATOM 874 C GLN A 56 -18.683 -9.863 -3.771 1.00 1.12 C ATOM 875 O GLN A 56 -19.038 -11.030 -3.930 1.00 1.37 O ATOM 876 CB GLN A 56 -20.023 -8.620 -2.062 1.00 0.96 C ATOM 877 CG GLN A 56 -20.612 -9.093 -0.742 1.00 1.58 C ATOM 878 CD GLN A 56 -19.805 -8.630 0.455 1.00 2.14 C ATOM 879 OE1 GLN A 56 -18.756 -9.193 0.767 1.00 2.41 O ATOM 880 NE2 GLN A 56 -20.293 -7.598 1.135 1.00 3.02 N ATOM 881 H GLN A 56 -17.851 -7.310 -2.044 1.00 0.69 H ATOM 882 HA GLN A 56 -18.450 -10.012 -1.657 1.00 1.14 H ATOM 883 HB2 GLN A 56 -19.917 -7.546 -2.020 1.00 1.40 H ATOM 884 HB3 GLN A 56 -20.713 -8.875 -2.852 1.00 1.25 H ATOM 885 HG2 GLN A 56 -21.616 -8.706 -0.652 1.00 2.10 H ATOM 886 HG3 GLN A 56 -20.641 -10.172 -0.742 1.00 2.16 H ATOM 887 HE21 GLN A 56 -21.134 -7.198 0.829 1.00 3.18 H ATOM 888 HE22 GLN A 56 -19.792 -7.279 1.914 1.00 3.70 H ATOM 889 N ARG A 57 -18.302 -9.079 -4.775 1.00 1.15 N ATOM 890 CA ARG A 57 -18.284 -9.561 -6.151 1.00 1.46 C ATOM 891 C ARG A 57 -16.903 -10.094 -6.524 1.00 1.58 C ATOM 892 O ARG A 57 -16.196 -9.491 -7.332 1.00 1.74 O ATOM 893 CB ARG A 57 -18.687 -8.440 -7.111 1.00 1.66 C ATOM 894 CG ARG A 57 -19.750 -7.510 -6.551 1.00 1.38 C ATOM 895 CD ARG A 57 -19.996 -6.328 -7.473 1.00 1.67 C ATOM 896 NE ARG A 57 -21.409 -5.966 -7.532 1.00 1.89 N ATOM 897 CZ ARG A 57 -21.889 -4.992 -8.300 1.00 2.38 C ATOM 898 NH1 ARG A 57 -21.073 -4.287 -9.073 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.187 -4.723 -8.298 1.00 2.99 N ATOM 900 H ARG A 57 -18.018 -8.163 -4.587 1.00 1.08 H ATOM 901 HA ARG A 57 -19.000 -10.365 -6.230 1.00 1.68 H ATOM 902 HB2 ARG A 57 -17.812 -7.851 -7.345 1.00 2.06 H ATOM 903 HB3 ARG A 57 -19.068 -8.880 -8.021 1.00 2.00 H ATOM 904 HG2 ARG A 57 -20.671 -8.060 -6.432 1.00 1.36 H ATOM 905 HG3 ARG A 57 -19.422 -7.143 -5.589 1.00 1.52 H ATOM 906 HD2 ARG A 57 -19.433 -5.481 -7.110 1.00 2.17 H ATOM 907 HD3 ARG A 57 -19.658 -6.585 -8.465 1.00 1.99 H ATOM 908 HE ARG A 57 -22.032 -6.473 -6.972 1.00 2.19 H ATOM 909 HH11 ARG A 57 -20.093 -4.487 -9.077 1.00 2.88 H ATOM 910 HH12 ARG A 57 -21.438 -3.556 -9.650 1.00 3.44 H ATOM 911 HH21 ARG A 57 -23.807 -5.253 -7.719 1.00 3.24 H ATOM 912 HH22 ARG A 57 -23.547 -3.990 -8.875 1.00 3.47 H ATOM 913 N GLY A 58 -16.547 -11.235 -5.936 1.00 1.74 N ATOM 914 CA GLY A 58 -15.261 -11.868 -6.203 1.00 2.05 C ATOM 915 C GLY A 58 -14.156 -10.880 -6.531 1.00 1.56 C ATOM 916 O GLY A 58 -13.515 -10.985 -7.578 1.00 1.61 O ATOM 917 H GLY A 58 -17.166 -11.652 -5.302 1.00 1.78 H ATOM 918 HA2 GLY A 58 -14.968 -12.434 -5.332 1.00 2.52 H ATOM 919 HA3 GLY A 58 -15.376 -12.548 -7.034 1.00 2.55 H ATOM 920 N ARG A 59 -13.930 -9.921 -5.640 1.00 1.40 N ATOM 921 CA ARG A 59 -12.895 -8.915 -5.849 1.00 1.48 C ATOM 922 C ARG A 59 -11.995 -8.789 -4.622 1.00 1.02 C ATOM 923 O ARG A 59 -12.179 -9.497 -3.631 1.00 1.47 O ATOM 924 CB ARG A 59 -13.530 -7.562 -6.174 1.00 2.32 C ATOM 925 CG ARG A 59 -13.800 -7.357 -7.655 1.00 3.01 C ATOM 926 CD ARG A 59 -12.538 -6.955 -8.401 1.00 3.79 C ATOM 927 NE ARG A 59 -12.750 -6.893 -9.845 1.00 4.29 N ATOM 928 CZ ARG A 59 -12.915 -5.758 -10.518 1.00 4.87 C ATOM 929 NH1 ARG A 59 -12.900 -4.595 -9.881 1.00 5.10 N ATOM 930 NH2 ARG A 59 -13.096 -5.786 -11.832 1.00 5.55 N ATOM 931 H ARG A 59 -14.472 -9.888 -4.823 1.00 1.53 H ATOM 932 HA ARG A 59 -12.294 -9.229 -6.689 1.00 1.87 H ATOM 933 HB2 ARG A 59 -14.467 -7.480 -5.644 1.00 2.49 H ATOM 934 HB3 ARG A 59 -12.867 -6.777 -5.839 1.00 2.61 H ATOM 935 HG2 ARG A 59 -14.175 -8.280 -8.074 1.00 3.11 H ATOM 936 HG3 ARG A 59 -14.541 -6.579 -7.772 1.00 3.10 H ATOM 937 HD2 ARG A 59 -12.222 -5.983 -8.051 1.00 4.05 H ATOM 938 HD3 ARG A 59 -11.765 -7.681 -8.191 1.00 4.13 H ATOM 939 HE ARG A 59 -12.767 -7.740 -10.338 1.00 4.46 H ATOM 940 HH11 ARG A 59 -12.762 -4.568 -8.891 1.00 4.89 H ATOM 941 HH12 ARG A 59 -13.024 -3.744 -10.392 1.00 5.69 H ATOM 942 HH21 ARG A 59 -13.109 -6.661 -12.316 1.00 5.72 H ATOM 943 HH22 ARG A 59 -13.221 -4.932 -12.338 1.00 6.06 H ATOM 944 N SER A 60 -11.023 -7.885 -4.699 1.00 0.87 N ATOM 945 CA SER A 60 -10.091 -7.666 -3.598 1.00 0.54 C ATOM 946 C SER A 60 -10.302 -6.292 -2.970 1.00 0.42 C ATOM 947 O SER A 60 -10.266 -5.272 -3.660 1.00 0.40 O ATOM 948 CB SER A 60 -8.649 -7.800 -4.089 1.00 0.77 C ATOM 949 OG SER A 60 -8.458 -9.019 -4.787 1.00 1.51 O ATOM 950 H SER A 60 -10.930 -7.351 -5.515 1.00 1.44 H ATOM 951 HA SER A 60 -10.279 -8.422 -2.849 1.00 0.75 H ATOM 952 HB2 SER A 60 -8.419 -6.980 -4.753 1.00 1.31 H ATOM 953 HB3 SER A 60 -7.978 -7.776 -3.242 1.00 1.35 H ATOM 954 HG SER A 60 -8.946 -9.720 -4.348 1.00 1.99 H ATOM 955 N ALA A 61 -10.523 -6.273 -1.659 1.00 0.38 N ATOM 956 CA ALA A 61 -10.741 -5.026 -0.936 1.00 0.33 C ATOM 957 C ALA A 61 -9.525 -4.111 -1.036 1.00 0.29 C ATOM 958 O ALA A 61 -9.660 -2.891 -1.133 1.00 0.27 O ATOM 959 CB ALA A 61 -11.070 -5.310 0.522 1.00 0.39 C ATOM 960 H ALA A 61 -10.539 -7.120 -1.165 1.00 0.44 H ATOM 961 HA ALA A 61 -11.589 -4.527 -1.381 1.00 0.34 H ATOM 962 HB1 ALA A 61 -12.141 -5.394 0.639 1.00 1.12 H ATOM 963 HB2 ALA A 61 -10.703 -4.502 1.138 1.00 0.95 H ATOM 964 HB3 ALA A 61 -10.602 -6.235 0.824 1.00 1.11 H ATOM 965 N SER A 62 -8.337 -4.708 -1.010 1.00 0.33 N ATOM 966 CA SER A 62 -7.095 -3.949 -1.099 1.00 0.34 C ATOM 967 C SER A 62 -6.976 -3.263 -2.454 1.00 0.31 C ATOM 968 O SER A 62 -6.421 -2.169 -2.558 1.00 0.31 O ATOM 969 CB SER A 62 -5.894 -4.867 -0.866 1.00 0.42 C ATOM 970 OG SER A 62 -6.260 -6.228 -1.001 1.00 0.66 O ATOM 971 H SER A 62 -8.294 -5.681 -0.932 1.00 0.37 H ATOM 972 HA SER A 62 -7.114 -3.193 -0.327 1.00 0.34 H ATOM 973 HB2 SER A 62 -5.126 -4.640 -1.590 1.00 0.76 H ATOM 974 HB3 SER A 62 -5.508 -4.706 0.130 1.00 0.73 H ATOM 975 HG SER A 62 -5.677 -6.770 -0.465 1.00 0.98 H ATOM 976 N ASN A 63 -7.495 -3.913 -3.492 1.00 0.32 N ATOM 977 CA ASN A 63 -7.453 -3.357 -4.838 1.00 0.32 C ATOM 978 C ASN A 63 -8.201 -2.029 -4.885 1.00 0.31 C ATOM 979 O ASN A 63 -7.672 -1.023 -5.360 1.00 0.33 O ATOM 980 CB ASN A 63 -8.050 -4.347 -5.846 1.00 0.35 C ATOM 981 CG ASN A 63 -9.002 -3.687 -6.826 1.00 0.92 C ATOM 982 OD1 ASN A 63 -8.579 -2.985 -7.745 1.00 1.40 O ATOM 983 ND2 ASN A 63 -10.298 -3.908 -6.633 1.00 1.79 N ATOM 984 H ASN A 63 -7.919 -4.786 -3.347 1.00 0.34 H ATOM 985 HA ASN A 63 -6.417 -3.181 -5.090 1.00 0.33 H ATOM 986 HB2 ASN A 63 -7.249 -4.803 -6.408 1.00 0.81 H ATOM 987 HB3 ASN A 63 -8.587 -5.116 -5.309 1.00 0.80 H ATOM 988 HD21 ASN A 63 -10.564 -4.476 -5.880 1.00 2.12 H ATOM 989 HD22 ASN A 63 -10.936 -3.494 -7.252 1.00 2.32 H ATOM 990 N GLU A 64 -9.433 -2.035 -4.387 1.00 0.31 N ATOM 991 CA GLU A 64 -10.253 -0.830 -4.357 1.00 0.33 C ATOM 992 C GLU A 64 -9.641 0.206 -3.422 1.00 0.31 C ATOM 993 O GLU A 64 -9.668 1.404 -3.702 1.00 0.34 O ATOM 994 CB GLU A 64 -11.675 -1.164 -3.908 1.00 0.37 C ATOM 995 CG GLU A 64 -12.691 -1.127 -5.037 1.00 0.87 C ATOM 996 CD GLU A 64 -13.494 0.158 -5.057 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.961 0.584 -3.979 1.00 1.72 O ATOM 998 OE2 GLU A 64 -13.656 0.742 -6.150 1.00 1.66 O ATOM 999 H GLU A 64 -9.801 -2.871 -4.029 1.00 0.31 H ATOM 1000 HA GLU A 64 -10.283 -0.423 -5.357 1.00 0.37 H ATOM 1001 HB2 GLU A 64 -11.681 -2.156 -3.479 1.00 0.71 H ATOM 1002 HB3 GLU A 64 -11.979 -0.454 -3.155 1.00 0.71 H ATOM 1003 HG2 GLU A 64 -12.169 -1.221 -5.978 1.00 1.64 H ATOM 1004 HG3 GLU A 64 -13.372 -1.958 -4.919 1.00 1.61 H ATOM 1005 N PHE A 65 -9.092 -0.271 -2.307 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.464 0.605 -1.323 1.00 0.29 C ATOM 1007 C PHE A 65 -7.361 1.435 -1.968 1.00 0.30 C ATOM 1008 O PHE A 65 -7.296 2.649 -1.782 1.00 0.33 O ATOM 1009 CB PHE A 65 -7.891 -0.221 -0.166 1.00 0.30 C ATOM 1010 CG PHE A 65 -6.989 0.560 0.749 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.484 1.614 1.500 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.646 0.238 0.857 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.655 2.332 2.341 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.813 0.952 1.697 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.318 2.000 2.439 1.00 0.48 C ATOM 1016 H PHE A 65 -9.108 -1.236 -2.143 1.00 0.29 H ATOM 1017 HA PHE A 65 -9.223 1.270 -0.939 1.00 0.32 H ATOM 1018 HB2 PHE A 65 -8.706 -0.610 0.426 1.00 0.37 H ATOM 1019 HB3 PHE A 65 -7.323 -1.045 -0.571 1.00 0.34 H ATOM 1020 HD1 PHE A 65 -8.529 1.875 1.423 1.00 0.47 H ATOM 1021 HD2 PHE A 65 -5.249 -0.582 0.276 1.00 0.39 H ATOM 1022 HE1 PHE A 65 -7.053 3.152 2.921 1.00 0.61 H ATOM 1023 HE2 PHE A 65 -3.767 0.689 1.772 1.00 0.50 H ATOM 1024 HZ PHE A 65 -4.669 2.560 3.097 1.00 0.58 H ATOM 1025 N LEU A 66 -6.497 0.772 -2.727 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.395 1.449 -3.404 1.00 0.35 C ATOM 1027 C LEU A 66 -5.919 2.445 -4.434 1.00 0.37 C ATOM 1028 O LEU A 66 -5.319 3.495 -4.657 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.481 0.428 -4.088 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.167 0.131 -3.358 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.289 1.372 -3.310 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.438 -0.390 -1.954 1.00 0.61 C ATOM 1033 H LEU A 66 -6.601 -0.199 -2.835 1.00 0.32 H ATOM 1034 HA LEU A 66 -4.828 1.985 -2.658 1.00 0.37 H ATOM 1035 HB2 LEU A 66 -5.027 -0.499 -4.190 1.00 0.44 H ATOM 1036 HB3 LEU A 66 -4.242 0.796 -5.074 1.00 0.46 H ATOM 1037 HG LEU A 66 -2.630 -0.633 -3.900 1.00 0.51 H ATOM 1038 HD11 LEU A 66 -2.134 1.663 -2.281 1.00 1.20 H ATOM 1039 HD12 LEU A 66 -2.773 2.177 -3.843 1.00 1.16 H ATOM 1040 HD13 LEU A 66 -1.335 1.157 -3.769 1.00 1.31 H ATOM 1041 HD21 LEU A 66 -4.060 -1.271 -2.011 1.00 1.20 H ATOM 1042 HD22 LEU A 66 -3.943 0.371 -1.379 1.00 1.26 H ATOM 1043 HD23 LEU A 66 -2.503 -0.640 -1.476 1.00 1.06 H ATOM 1044 N ASN A 67 -7.038 2.102 -5.062 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.646 2.962 -6.074 1.00 0.42 C ATOM 1046 C ASN A 67 -8.109 4.289 -5.475 1.00 0.41 C ATOM 1047 O ASN A 67 -8.194 5.297 -6.176 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.828 2.247 -6.730 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.421 1.480 -7.973 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.855 2.045 -8.909 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.709 0.183 -7.988 1.00 1.48 N ATOM 1052 H ASN A 67 -7.468 1.251 -4.840 1.00 0.38 H ATOM 1053 HA ASN A 67 -6.898 3.162 -6.827 1.00 0.46 H ATOM 1054 HB2 ASN A 67 -9.258 1.552 -6.025 1.00 0.70 H ATOM 1055 HB3 ASN A 67 -9.573 2.978 -7.009 1.00 0.77 H ATOM 1056 HD21 ASN A 67 -9.161 -0.200 -7.208 1.00 1.69 H ATOM 1057 HD22 ASN A 67 -8.457 -0.338 -8.780 1.00 1.89 H ATOM 1058 N ILE A 68 -8.409 4.283 -4.178 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.874 5.487 -3.495 1.00 0.35 C ATOM 1060 C ILE A 68 -7.725 6.227 -2.816 1.00 0.35 C ATOM 1061 O ILE A 68 -7.521 7.419 -3.046 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.951 5.152 -2.441 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.113 4.397 -3.090 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.451 6.421 -1.765 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.691 3.304 -2.215 1.00 0.52 C ATOM 1066 H ILE A 68 -8.313 3.450 -3.669 1.00 0.47 H ATOM 1067 HA ILE A 68 -9.318 6.137 -4.235 1.00 0.38 H ATOM 1068 HB ILE A 68 -9.501 4.526 -1.686 1.00 0.41 H ATOM 1069 HG12 ILE A 68 -11.907 5.093 -3.314 1.00 0.45 H ATOM 1070 HG13 ILE A 68 -10.771 3.941 -4.007 1.00 0.51 H ATOM 1071 HG21 ILE A 68 -9.644 6.879 -1.215 1.00 1.20 H ATOM 1072 HG22 ILE A 68 -11.255 6.174 -1.086 1.00 1.04 H ATOM 1073 HG23 ILE A 68 -10.813 7.109 -2.515 1.00 1.08 H ATOM 1074 HD11 ILE A 68 -11.311 3.411 -1.209 1.00 1.18 H ATOM 1075 HD12 ILE A 68 -11.406 2.339 -2.609 1.00 1.05 H ATOM 1076 HD13 ILE A 68 -12.767 3.385 -2.202 1.00 1.13 H ATOM 1077 N TRP A 69 -6.978 5.514 -1.980 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.852 6.107 -1.264 1.00 0.38 C ATOM 1079 C TRP A 69 -4.696 6.406 -2.214 1.00 0.45 C ATOM 1080 O TRP A 69 -3.744 7.096 -1.850 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.382 5.171 -0.148 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.451 5.826 0.826 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.756 6.821 1.709 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.061 5.535 1.012 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.641 7.166 2.434 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.589 6.390 2.024 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.171 4.633 0.422 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.266 6.371 2.459 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -0.858 4.614 0.854 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.416 5.479 1.864 1.00 0.63 C ATOM 1091 H TRP A 69 -7.188 4.568 -1.838 1.00 0.39 H ATOM 1092 HA TRP A 69 -6.189 7.033 -0.825 1.00 0.41 H ATOM 1093 HB2 TRP A 69 -6.243 4.817 0.402 1.00 0.44 H ATOM 1094 HB3 TRP A 69 -4.869 4.327 -0.586 1.00 0.50 H ATOM 1095 HD1 TRP A 69 -5.735 7.264 1.811 1.00 0.47 H ATOM 1096 HE1 TRP A 69 -3.606 7.854 3.131 1.00 0.52 H ATOM 1097 HE3 TRP A 69 -2.494 3.960 -0.359 1.00 0.57 H ATOM 1098 HZ2 TRP A 69 -0.909 7.030 3.237 1.00 0.60 H ATOM 1099 HZ3 TRP A 69 -0.156 3.925 0.409 1.00 0.70 H ATOM 1100 HH2 TRP A 69 0.619 5.430 2.169 1.00 0.70 H ATOM 1101 N GLY A 70 -4.787 5.883 -3.431 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.744 6.104 -4.415 1.00 0.74 C ATOM 1103 C GLY A 70 -4.294 6.569 -5.747 1.00 0.86 C ATOM 1104 O GLY A 70 -4.083 5.922 -6.773 1.00 1.08 O ATOM 1105 H GLY A 70 -5.570 5.342 -3.665 1.00 0.73 H ATOM 1106 HA2 GLY A 70 -3.062 6.853 -4.038 1.00 0.76 H ATOM 1107 HA3 GLY A 70 -3.201 5.182 -4.562 1.00 0.82 H ATOM 1108 N GLY A 71 -5.002 7.694 -5.731 1.00 0.96 N ATOM 1109 CA GLY A 71 -5.576 8.230 -6.951 1.00 1.16 C ATOM 1110 C GLY A 71 -6.329 9.524 -6.715 1.00 1.26 C ATOM 1111 O GLY A 71 -6.404 10.377 -7.598 1.00 1.54 O ATOM 1112 H GLY A 71 -5.136 8.164 -4.882 1.00 1.05 H ATOM 1113 HA2 GLY A 71 -4.781 8.413 -7.659 1.00 1.26 H ATOM 1114 HA3 GLY A 71 -6.255 7.501 -7.368 1.00 1.19 H ATOM 1115 N GLN A 72 -6.889 9.666 -5.516 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.640 10.865 -5.159 1.00 1.31 C ATOM 1117 C GLN A 72 -6.789 11.805 -4.313 1.00 1.31 C ATOM 1118 O GLN A 72 -6.777 13.016 -4.533 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.913 10.489 -4.398 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.657 9.306 -4.997 1.00 1.21 C ATOM 1121 CD GLN A 72 -11.162 9.470 -4.926 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.729 9.655 -3.849 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.820 9.402 -6.079 1.00 1.99 N ATOM 1124 H GLN A 72 -6.794 8.948 -4.857 1.00 1.05 H ATOM 1125 HA GLN A 72 -7.914 11.370 -6.074 1.00 1.53 H ATOM 1126 HB2 GLN A 72 -8.648 10.242 -3.380 1.00 1.83 H ATOM 1127 HB3 GLN A 72 -9.578 11.339 -4.391 1.00 1.67 H ATOM 1128 HG2 GLN A 72 -9.369 9.204 -6.033 1.00 1.32 H ATOM 1129 HG3 GLN A 72 -9.380 8.413 -4.457 1.00 1.52 H ATOM 1130 HE21 GLN A 72 -11.304 9.251 -6.898 1.00 2.51 H ATOM 1131 HE22 GLN A 72 -12.794 9.503 -6.062 1.00 2.18 H ATOM 1132 N TYR A 73 -6.078 11.238 -3.343 1.00 1.08 N ATOM 1133 CA TYR A 73 -5.222 12.024 -2.462 1.00 1.16 C ATOM 1134 C TYR A 73 -3.763 11.922 -2.893 1.00 1.24 C ATOM 1135 O TYR A 73 -2.968 12.828 -2.640 1.00 1.49 O ATOM 1136 CB TYR A 73 -5.372 11.555 -1.014 1.00 1.13 C ATOM 1137 CG TYR A 73 -6.810 11.396 -0.572 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -7.630 12.505 -0.398 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -7.348 10.139 -0.327 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -8.943 12.365 0.008 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -8.660 9.991 0.078 1.00 0.97 C ATOM 1142 CZ TYR A 73 -9.453 11.106 0.244 1.00 1.27 C ATOM 1143 OH TYR A 73 -10.762 10.962 0.647 1.00 1.38 O ATOM 1144 H TYR A 73 -6.131 10.267 -3.216 1.00 0.99 H ATOM 1145 HA TYR A 73 -5.534 13.054 -2.532 1.00 1.31 H ATOM 1146 HB2 TYR A 73 -4.883 10.599 -0.900 1.00 1.03 H ATOM 1147 HB3 TYR A 73 -4.900 12.274 -0.360 1.00 1.34 H ATOM 1148 HD1 TYR A 73 -7.227 13.490 -0.585 1.00 1.72 H ATOM 1149 HD2 TYR A 73 -6.723 9.267 -0.457 1.00 0.80 H ATOM 1150 HE1 TYR A 73 -9.564 13.239 0.137 1.00 1.84 H ATOM 1151 HE2 TYR A 73 -9.060 9.005 0.264 1.00 0.90 H ATOM 1152 HH TYR A 73 -11.333 11.473 0.069 1.00 1.70 H ATOM 1153 N ASN A 74 -3.422 10.809 -3.544 1.00 1.23 N ATOM 1154 CA ASN A 74 -2.060 10.572 -4.018 1.00 1.34 C ATOM 1155 C ASN A 74 -1.082 10.436 -2.854 1.00 0.95 C ATOM 1156 O ASN A 74 -1.234 11.087 -1.820 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.610 11.700 -4.951 1.00 1.91 C ATOM 1158 CG ASN A 74 -2.675 12.068 -5.966 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -2.873 11.363 -6.956 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -3.364 13.176 -5.725 1.00 3.10 N ATOM 1161 H ASN A 74 -4.106 10.128 -3.708 1.00 1.29 H ATOM 1162 HA ASN A 74 -2.065 9.645 -4.572 1.00 1.52 H ATOM 1163 HB2 ASN A 74 -1.384 12.576 -4.362 1.00 2.26 H ATOM 1164 HB3 ASN A 74 -0.723 11.389 -5.482 1.00 1.95 H ATOM 1165 HD21 ASN A 74 -3.152 13.686 -4.916 1.00 3.23 H ATOM 1166 HD22 ASN A 74 -4.059 13.437 -6.365 1.00 3.64 H ATOM 1167 N HIS A 75 -0.079 9.582 -3.031 1.00 0.64 N ATOM 1168 CA HIS A 75 0.924 9.354 -2.000 1.00 0.65 C ATOM 1169 C HIS A 75 2.174 8.712 -2.603 1.00 0.56 C ATOM 1170 O HIS A 75 2.468 8.904 -3.781 1.00 1.01 O ATOM 1171 CB HIS A 75 0.345 8.467 -0.899 1.00 1.06 C ATOM 1172 CG HIS A 75 0.711 8.913 0.483 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -0.226 9.251 1.437 1.00 2.23 N ATOM 1174 CD2 HIS A 75 1.919 9.080 1.071 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.391 9.608 2.550 1.00 2.72 C ATOM 1176 NE2 HIS A 75 1.692 9.513 2.354 1.00 2.80 N ATOM 1177 H HIS A 75 -0.016 9.087 -3.872 1.00 0.98 H ATOM 1178 HA HIS A 75 1.192 10.312 -1.580 1.00 1.09 H ATOM 1179 HB2 HIS A 75 -0.733 8.473 -0.974 1.00 1.16 H ATOM 1180 HB3 HIS A 75 0.702 7.459 -1.033 1.00 1.29 H ATOM 1181 HD1 HIS A 75 -1.198 9.235 1.317 1.00 2.62 H ATOM 1182 HD2 HIS A 75 2.883 8.905 0.613 1.00 3.01 H ATOM 1183 HE1 HIS A 75 -0.089 9.922 3.465 1.00 3.32 H ATOM 1184 HE2 HIS A 75 2.381 9.835 2.973 1.00 3.35 H ATOM 1185 N THR A 76 2.908 7.950 -1.792 1.00 0.64 N ATOM 1186 CA THR A 76 4.122 7.287 -2.260 1.00 0.64 C ATOM 1187 C THR A 76 4.294 5.925 -1.595 1.00 0.51 C ATOM 1188 O THR A 76 3.725 5.664 -0.535 1.00 0.43 O ATOM 1189 CB THR A 76 5.377 8.135 -1.977 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.509 8.364 -0.569 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.314 9.470 -2.707 1.00 1.07 C ATOM 1192 H THR A 76 2.630 7.833 -0.861 1.00 1.06 H ATOM 1193 HA THR A 76 4.038 7.149 -3.328 1.00 0.71 H ATOM 1194 HB THR A 76 6.244 7.594 -2.328 1.00 1.18 H ATOM 1195 HG1 THR A 76 4.650 8.574 -0.196 1.00 1.36 H ATOM 1196 HG21 THR A 76 5.495 9.315 -3.759 1.00 1.56 H ATOM 1197 HG22 THR A 76 6.064 10.135 -2.306 1.00 1.52 H ATOM 1198 HG23 THR A 76 4.336 9.908 -2.571 1.00 1.55 H ATOM 1199 N VAL A 77 5.082 5.060 -2.229 1.00 0.53 N ATOM 1200 CA VAL A 77 5.331 3.721 -1.705 1.00 0.49 C ATOM 1201 C VAL A 77 6.065 3.776 -0.369 1.00 0.40 C ATOM 1202 O VAL A 77 6.083 2.800 0.381 1.00 0.39 O ATOM 1203 CB VAL A 77 6.152 2.871 -2.694 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.053 1.395 -2.342 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.688 3.114 -4.124 1.00 1.25 C ATOM 1206 H VAL A 77 5.507 5.330 -3.069 1.00 0.62 H ATOM 1207 HA VAL A 77 4.375 3.239 -1.557 1.00 0.51 H ATOM 1208 HB VAL A 77 7.187 3.167 -2.619 1.00 0.94 H ATOM 1209 HG11 VAL A 77 5.369 0.906 -3.022 1.00 1.78 H ATOM 1210 HG12 VAL A 77 5.690 1.290 -1.330 1.00 1.80 H ATOM 1211 HG13 VAL A 77 7.029 0.939 -2.423 1.00 1.67 H ATOM 1212 HG21 VAL A 77 4.618 2.987 -4.183 1.00 1.78 H ATOM 1213 HG22 VAL A 77 6.173 2.411 -4.784 1.00 1.73 H ATOM 1214 HG23 VAL A 77 5.948 4.121 -4.420 1.00 1.83 H ATOM 1215 N GLN A 78 6.673 4.923 -0.079 1.00 0.42 N ATOM 1216 CA GLN A 78 7.408 5.107 1.168 1.00 0.42 C ATOM 1217 C GLN A 78 6.525 4.794 2.372 1.00 0.37 C ATOM 1218 O GLN A 78 6.797 3.862 3.130 1.00 0.35 O ATOM 1219 CB GLN A 78 7.935 6.539 1.267 1.00 0.54 C ATOM 1220 CG GLN A 78 9.338 6.635 1.842 1.00 1.05 C ATOM 1221 CD GLN A 78 9.382 7.406 3.148 1.00 1.49 C ATOM 1222 OE1 GLN A 78 9.845 6.895 4.167 1.00 2.24 O ATOM 1223 NE2 GLN A 78 8.899 8.643 3.122 1.00 1.87 N ATOM 1224 H GLN A 78 6.624 5.665 -0.718 1.00 0.51 H ATOM 1225 HA GLN A 78 8.245 4.424 1.163 1.00 0.43 H ATOM 1226 HB2 GLN A 78 7.942 6.976 0.279 1.00 0.92 H ATOM 1227 HB3 GLN A 78 7.271 7.111 1.898 1.00 1.07 H ATOM 1228 HG2 GLN A 78 9.710 5.637 2.018 1.00 1.62 H ATOM 1229 HG3 GLN A 78 9.974 7.134 1.125 1.00 1.54 H ATOM 1230 HE21 GLN A 78 8.548 8.984 2.273 1.00 2.18 H ATOM 1231 HE22 GLN A 78 8.914 9.163 3.952 1.00 2.27 H ATOM 1232 N THR A 79 5.469 5.584 2.542 1.00 0.42 N ATOM 1233 CA THR A 79 4.539 5.398 3.650 1.00 0.45 C ATOM 1234 C THR A 79 3.968 3.984 3.662 1.00 0.39 C ATOM 1235 O THR A 79 3.706 3.419 4.725 1.00 0.40 O ATOM 1236 CB THR A 79 3.379 6.409 3.579 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.889 7.727 3.349 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.567 6.395 4.865 1.00 0.71 C ATOM 1239 H THR A 79 5.312 6.312 1.906 1.00 0.47 H ATOM 1240 HA THR A 79 5.079 5.567 4.570 1.00 0.49 H ATOM 1241 HB THR A 79 2.731 6.133 2.759 1.00 0.58 H ATOM 1242 HG1 THR A 79 3.721 7.982 2.439 1.00 1.03 H ATOM 1243 HG21 THR A 79 1.535 6.170 4.637 1.00 1.28 H ATOM 1244 HG22 THR A 79 2.628 7.362 5.341 1.00 1.19 H ATOM 1245 HG23 THR A 79 2.960 5.641 5.531 1.00 1.26 H ATOM 1246 N LEU A 80 3.777 3.418 2.475 1.00 0.35 N ATOM 1247 CA LEU A 80 3.232 2.070 2.345 1.00 0.34 C ATOM 1248 C LEU A 80 4.137 1.041 3.016 1.00 0.32 C ATOM 1249 O LEU A 80 3.662 0.043 3.557 1.00 0.34 O ATOM 1250 CB LEU A 80 3.040 1.716 0.868 1.00 0.37 C ATOM 1251 CG LEU A 80 2.574 0.283 0.594 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.234 0.017 1.263 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.482 0.032 -0.904 1.00 0.50 C ATOM 1254 H LEU A 80 4.009 3.919 1.664 1.00 0.37 H ATOM 1255 HA LEU A 80 2.270 2.057 2.834 1.00 0.38 H ATOM 1256 HB2 LEU A 80 2.310 2.395 0.449 1.00 0.40 H ATOM 1257 HB3 LEU A 80 3.980 1.868 0.358 1.00 0.39 H ATOM 1258 HG LEU A 80 3.295 -0.407 1.007 1.00 0.44 H ATOM 1259 HD11 LEU A 80 0.533 0.793 0.987 1.00 1.01 H ATOM 1260 HD12 LEU A 80 1.360 0.011 2.335 1.00 1.22 H ATOM 1261 HD13 LEU A 80 0.854 -0.941 0.939 1.00 0.99 H ATOM 1262 HD21 LEU A 80 1.994 -0.915 -1.080 1.00 1.19 H ATOM 1263 HD22 LEU A 80 3.476 0.009 -1.326 1.00 1.20 H ATOM 1264 HD23 LEU A 80 1.912 0.823 -1.367 1.00 0.94 H ATOM 1265 N PHE A 81 5.443 1.283 2.971 1.00 0.33 N ATOM 1266 CA PHE A 81 6.409 0.373 3.576 1.00 0.36 C ATOM 1267 C PHE A 81 6.185 0.252 5.081 1.00 0.37 C ATOM 1268 O PHE A 81 5.925 -0.837 5.595 1.00 0.38 O ATOM 1269 CB PHE A 81 7.837 0.850 3.301 1.00 0.41 C ATOM 1270 CG PHE A 81 8.889 -0.138 3.720 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.180 -1.238 2.930 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.583 0.032 4.907 1.00 0.55 C ATOM 1273 CE1 PHE A 81 10.145 -2.149 3.314 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.549 -0.877 5.297 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.831 -1.968 4.500 1.00 0.73 C ATOM 1276 H PHE A 81 5.764 2.092 2.521 1.00 0.35 H ATOM 1277 HA PHE A 81 6.272 -0.599 3.126 1.00 0.37 H ATOM 1278 HB2 PHE A 81 7.952 1.028 2.242 1.00 0.46 H ATOM 1279 HB3 PHE A 81 8.011 1.770 3.838 1.00 0.43 H ATOM 1280 HD1 PHE A 81 8.645 -1.381 2.003 1.00 0.65 H ATOM 1281 HD2 PHE A 81 9.364 0.885 5.533 1.00 0.60 H ATOM 1282 HE1 PHE A 81 10.364 -3.002 2.689 1.00 0.85 H ATOM 1283 HE2 PHE A 81 11.084 -0.732 6.225 1.00 0.78 H ATOM 1284 HZ PHE A 81 11.585 -2.679 4.802 1.00 0.85 H ATOM 1285 N ALA A 82 6.287 1.379 5.781 1.00 0.45 N ATOM 1286 CA ALA A 82 6.106 1.406 7.229 1.00 0.52 C ATOM 1287 C ALA A 82 4.707 0.948 7.632 1.00 0.45 C ATOM 1288 O ALA A 82 4.464 0.624 8.795 1.00 0.43 O ATOM 1289 CB ALA A 82 6.379 2.802 7.766 1.00 0.67 C ATOM 1290 H ALA A 82 6.488 2.215 5.310 1.00 0.49 H ATOM 1291 HA ALA A 82 6.831 0.734 7.665 1.00 0.57 H ATOM 1292 HB1 ALA A 82 7.384 3.099 7.503 1.00 1.24 H ATOM 1293 HB2 ALA A 82 6.276 2.801 8.842 1.00 1.21 H ATOM 1294 HB3 ALA A 82 5.673 3.498 7.337 1.00 1.22 H ATOM 1295 N LEU A 83 3.790 0.922 6.671 1.00 0.44 N ATOM 1296 CA LEU A 83 2.418 0.504 6.938 1.00 0.41 C ATOM 1297 C LEU A 83 2.359 -0.974 7.314 1.00 0.36 C ATOM 1298 O LEU A 83 1.814 -1.336 8.357 1.00 0.36 O ATOM 1299 CB LEU A 83 1.532 0.767 5.719 1.00 0.46 C ATOM 1300 CG LEU A 83 0.073 0.335 5.871 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.663 1.265 6.822 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.616 0.302 4.515 1.00 1.23 C ATOM 1303 H LEU A 83 4.041 1.191 5.762 1.00 0.48 H ATOM 1304 HA LEU A 83 2.051 1.088 7.769 1.00 0.45 H ATOM 1305 HB2 LEU A 83 1.553 1.827 5.508 1.00 0.61 H ATOM 1306 HB3 LEU A 83 1.952 0.242 4.875 1.00 0.67 H ATOM 1307 HG LEU A 83 0.041 -0.662 6.287 1.00 1.17 H ATOM 1308 HD11 LEU A 83 -0.477 2.290 6.541 1.00 1.70 H ATOM 1309 HD12 LEU A 83 -0.313 1.099 7.831 1.00 1.59 H ATOM 1310 HD13 LEU A 83 -1.724 1.065 6.771 1.00 1.64 H ATOM 1311 HD21 LEU A 83 -0.823 -0.722 4.242 1.00 1.62 H ATOM 1312 HD22 LEU A 83 0.029 0.749 3.772 1.00 1.86 H ATOM 1313 HD23 LEU A 83 -1.541 0.855 4.568 1.00 1.77 H ATOM 1314 N PHE A 84 2.918 -1.823 6.456 1.00 0.37 N ATOM 1315 CA PHE A 84 2.928 -3.264 6.694 1.00 0.39 C ATOM 1316 C PHE A 84 3.626 -3.602 8.009 1.00 0.39 C ATOM 1317 O PHE A 84 3.341 -4.629 8.625 1.00 0.41 O ATOM 1318 CB PHE A 84 3.617 -3.987 5.536 1.00 0.45 C ATOM 1319 CG PHE A 84 2.867 -3.893 4.237 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.566 -4.362 4.136 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.463 -3.335 3.117 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.875 -4.276 2.943 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.777 -3.246 1.921 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.481 -3.718 1.833 1.00 0.42 C ATOM 1325 H PHE A 84 3.333 -1.472 5.640 1.00 0.41 H ATOM 1326 HA PHE A 84 1.902 -3.595 6.752 1.00 0.40 H ATOM 1327 HB2 PHE A 84 4.596 -3.560 5.385 1.00 0.53 H ATOM 1328 HB3 PHE A 84 3.719 -5.034 5.786 1.00 0.52 H ATOM 1329 HD1 PHE A 84 1.091 -4.798 5.002 1.00 0.55 H ATOM 1330 HD2 PHE A 84 4.476 -2.966 3.185 1.00 0.44 H ATOM 1331 HE1 PHE A 84 -0.138 -4.644 2.877 1.00 0.54 H ATOM 1332 HE2 PHE A 84 3.253 -2.809 1.055 1.00 0.47 H ATOM 1333 HZ PHE A 84 0.943 -3.650 0.900 1.00 0.45 H ATOM 1334 N LYS A 85 4.543 -2.735 8.430 1.00 0.43 N ATOM 1335 CA LYS A 85 5.284 -2.938 9.674 1.00 0.47 C ATOM 1336 C LYS A 85 4.337 -3.133 10.854 1.00 0.48 C ATOM 1337 O LYS A 85 4.734 -3.638 11.905 1.00 0.51 O ATOM 1338 CB LYS A 85 6.210 -1.749 9.940 1.00 0.56 C ATOM 1339 CG LYS A 85 7.445 -2.108 10.749 1.00 0.83 C ATOM 1340 CD LYS A 85 8.707 -1.546 10.117 1.00 0.64 C ATOM 1341 CE LYS A 85 9.936 -1.855 10.956 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.580 -3.133 10.548 1.00 1.59 N ATOM 1343 H LYS A 85 4.728 -1.937 7.891 1.00 0.45 H ATOM 1344 HA LYS A 85 5.883 -3.829 9.559 1.00 0.48 H ATOM 1345 HB2 LYS A 85 6.533 -1.340 8.994 1.00 0.95 H ATOM 1346 HB3 LYS A 85 5.659 -0.993 10.479 1.00 0.82 H ATOM 1347 HG2 LYS A 85 7.342 -1.702 11.745 1.00 1.47 H ATOM 1348 HG3 LYS A 85 7.528 -3.183 10.804 1.00 1.60 H ATOM 1349 HD2 LYS A 85 8.834 -1.984 9.138 1.00 1.37 H ATOM 1350 HD3 LYS A 85 8.605 -0.474 10.023 1.00 1.16 H ATOM 1351 HE2 LYS A 85 10.647 -1.050 10.841 1.00 1.62 H ATOM 1352 HE3 LYS A 85 9.639 -1.925 11.993 1.00 1.62 H ATOM 1353 HZ1 LYS A 85 9.854 -3.844 10.324 1.00 2.05 H ATOM 1354 HZ2 LYS A 85 11.177 -3.495 11.318 1.00 2.12 H ATOM 1355 HZ3 LYS A 85 11.173 -2.982 9.707 1.00 2.02 H ATOM 1356 N LYS A 86 3.084 -2.726 10.674 1.00 0.52 N ATOM 1357 CA LYS A 86 2.074 -2.850 11.719 1.00 0.59 C ATOM 1358 C LYS A 86 1.900 -4.303 12.154 1.00 0.61 C ATOM 1359 O LYS A 86 2.059 -4.632 13.329 1.00 0.69 O ATOM 1360 CB LYS A 86 0.737 -2.293 11.228 1.00 0.71 C ATOM 1361 CG LYS A 86 -0.311 -2.169 12.322 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.679 -2.616 11.836 1.00 1.31 C ATOM 1363 CE LYS A 86 -2.773 -1.677 12.314 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.876 -1.655 13.800 1.00 2.31 N ATOM 1365 H LYS A 86 2.831 -2.331 9.814 1.00 0.55 H ATOM 1366 HA LYS A 86 2.403 -2.270 12.568 1.00 0.61 H ATOM 1367 HB2 LYS A 86 0.902 -1.313 10.805 1.00 0.75 H ATOM 1368 HB3 LYS A 86 0.348 -2.946 10.461 1.00 0.83 H ATOM 1369 HG2 LYS A 86 -0.018 -2.786 13.158 1.00 1.21 H ATOM 1370 HG3 LYS A 86 -0.368 -1.137 12.636 1.00 1.20 H ATOM 1371 HD2 LYS A 86 -1.680 -2.633 10.756 1.00 1.58 H ATOM 1372 HD3 LYS A 86 -1.877 -3.609 12.214 1.00 1.65 H ATOM 1373 HE2 LYS A 86 -2.554 -0.679 11.963 1.00 2.37 H ATOM 1374 HE3 LYS A 86 -3.716 -2.003 11.902 1.00 2.24 H ATOM 1375 HZ1 LYS A 86 -1.993 -1.292 14.214 1.00 2.73 H ATOM 1376 HZ2 LYS A 86 -3.046 -2.615 14.160 1.00 2.78 H ATOM 1377 HZ3 LYS A 86 -3.663 -1.043 14.095 1.00 2.50 H ATOM 1378 N LEU A 87 1.571 -5.168 11.198 1.00 0.61 N ATOM 1379 CA LEU A 87 1.367 -6.583 11.486 1.00 0.70 C ATOM 1380 C LEU A 87 2.652 -7.381 11.278 1.00 0.63 C ATOM 1381 O LEU A 87 2.633 -8.612 11.285 1.00 0.74 O ATOM 1382 CB LEU A 87 0.255 -7.148 10.599 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.066 -6.379 10.647 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.814 -6.522 9.331 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.924 -6.867 11.804 1.00 1.46 C ATOM 1386 H LEU A 87 1.463 -4.845 10.280 1.00 0.60 H ATOM 1387 HA LEU A 87 1.068 -6.671 12.520 1.00 0.80 H ATOM 1388 HB2 LEU A 87 0.608 -7.156 9.579 1.00 1.02 H ATOM 1389 HB3 LEU A 87 0.064 -8.166 10.904 1.00 1.01 H ATOM 1390 HG LEU A 87 -0.859 -5.330 10.802 1.00 1.71 H ATOM 1391 HD11 LEU A 87 -2.402 -5.633 9.153 1.00 2.03 H ATOM 1392 HD12 LEU A 87 -2.465 -7.382 9.377 1.00 2.18 H ATOM 1393 HD13 LEU A 87 -1.105 -6.650 8.526 1.00 1.92 H ATOM 1394 HD21 LEU A 87 -1.290 -7.298 12.566 1.00 2.02 H ATOM 1395 HD22 LEU A 87 -2.617 -7.615 11.448 1.00 2.00 H ATOM 1396 HD23 LEU A 87 -2.474 -6.036 12.221 1.00 1.76 H ATOM 1397 N LYS A 88 3.763 -6.672 11.095 1.00 0.52 N ATOM 1398 CA LYS A 88 5.057 -7.314 10.885 1.00 0.53 C ATOM 1399 C LYS A 88 4.992 -8.302 9.722 1.00 0.51 C ATOM 1400 O LYS A 88 5.387 -9.461 9.855 1.00 0.56 O ATOM 1401 CB LYS A 88 5.512 -8.034 12.158 1.00 0.69 C ATOM 1402 CG LYS A 88 5.228 -7.261 13.437 1.00 1.16 C ATOM 1403 CD LYS A 88 6.449 -6.487 13.903 1.00 1.45 C ATOM 1404 CE LYS A 88 6.068 -5.373 14.864 1.00 2.05 C ATOM 1405 NZ LYS A 88 6.679 -4.072 14.476 1.00 2.87 N ATOM 1406 H LYS A 88 3.712 -5.693 11.103 1.00 0.48 H ATOM 1407 HA LYS A 88 5.774 -6.543 10.644 1.00 0.52 H ATOM 1408 HB2 LYS A 88 5.004 -8.986 12.219 1.00 0.77 H ATOM 1409 HB3 LYS A 88 6.576 -8.210 12.097 1.00 0.86 H ATOM 1410 HG2 LYS A 88 4.422 -6.566 13.254 1.00 1.65 H ATOM 1411 HG3 LYS A 88 4.937 -7.958 14.209 1.00 1.59 H ATOM 1412 HD2 LYS A 88 7.124 -7.164 14.403 1.00 1.63 H ATOM 1413 HD3 LYS A 88 6.941 -6.056 13.043 1.00 1.75 H ATOM 1414 HE2 LYS A 88 4.993 -5.269 14.867 1.00 2.25 H ATOM 1415 HE3 LYS A 88 6.405 -5.639 15.855 1.00 2.40 H ATOM 1416 HZ1 LYS A 88 7.672 -4.037 14.783 1.00 3.42 H ATOM 1417 HZ2 LYS A 88 6.162 -3.287 14.923 1.00 3.04 H ATOM 1418 HZ3 LYS A 88 6.641 -3.952 13.443 1.00 3.31 H ATOM 1419 N LEU A 89 4.487 -7.836 8.584 1.00 0.47 N ATOM 1420 CA LEU A 89 4.366 -8.678 7.399 1.00 0.46 C ATOM 1421 C LEU A 89 5.631 -8.615 6.549 1.00 0.45 C ATOM 1422 O LEU A 89 5.679 -7.913 5.539 1.00 0.43 O ATOM 1423 CB LEU A 89 3.153 -8.252 6.569 1.00 0.48 C ATOM 1424 CG LEU A 89 1.872 -8.014 7.369 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.900 -7.153 6.577 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.227 -9.340 7.748 1.00 1.31 C ATOM 1427 H LEU A 89 4.191 -6.903 8.539 1.00 0.47 H ATOM 1428 HA LEU A 89 4.222 -9.696 7.732 1.00 0.51 H ATOM 1429 HB2 LEU A 89 3.403 -7.338 6.049 1.00 0.60 H ATOM 1430 HB3 LEU A 89 2.956 -9.020 5.836 1.00 0.59 H ATOM 1431 HG LEU A 89 2.116 -7.487 8.280 1.00 0.83 H ATOM 1432 HD11 LEU A 89 1.108 -6.110 6.765 1.00 1.66 H ATOM 1433 HD12 LEU A 89 -0.111 -7.379 6.880 1.00 1.77 H ATOM 1434 HD13 LEU A 89 1.015 -7.359 5.523 1.00 1.73 H ATOM 1435 HD21 LEU A 89 0.830 -9.273 8.750 1.00 1.62 H ATOM 1436 HD22 LEU A 89 1.967 -10.125 7.705 1.00 1.94 H ATOM 1437 HD23 LEU A 89 0.426 -9.560 7.058 1.00 1.70 H ATOM 1438 N HIS A 90 6.658 -9.352 6.970 1.00 0.55 N ATOM 1439 CA HIS A 90 7.926 -9.386 6.249 1.00 0.64 C ATOM 1440 C HIS A 90 7.714 -9.776 4.789 1.00 0.60 C ATOM 1441 O HIS A 90 8.493 -9.393 3.915 1.00 0.69 O ATOM 1442 CB HIS A 90 8.889 -10.372 6.916 1.00 0.81 C ATOM 1443 CG HIS A 90 9.383 -9.914 8.255 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.715 -9.674 8.524 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.717 -9.655 9.404 1.00 0.98 C ATOM 1446 CE1 HIS A 90 10.846 -9.287 9.780 1.00 1.84 C ATOM 1447 NE2 HIS A 90 9.648 -9.266 10.336 1.00 1.38 N ATOM 1448 H HIS A 90 6.558 -9.886 7.786 1.00 0.61 H ATOM 1449 HA HIS A 90 8.355 -8.396 6.287 1.00 0.66 H ATOM 1450 HB2 HIS A 90 8.387 -11.318 7.054 1.00 0.91 H ATOM 1451 HB3 HIS A 90 9.747 -10.515 6.276 1.00 1.02 H ATOM 1452 HD1 HIS A 90 11.455 -9.774 7.888 1.00 1.98 H ATOM 1453 HD2 HIS A 90 7.651 -9.738 9.559 1.00 1.13 H ATOM 1454 HE1 HIS A 90 11.773 -9.030 10.270 1.00 2.41 H ATOM 1455 HE2 HIS A 90 9.465 -9.075 11.279 1.00 1.49 H ATOM 1456 N ASN A 91 6.656 -10.539 4.533 1.00 0.54 N ATOM 1457 CA ASN A 91 6.340 -10.983 3.180 1.00 0.55 C ATOM 1458 C ASN A 91 5.909 -9.808 2.308 1.00 0.46 C ATOM 1459 O ASN A 91 6.491 -9.561 1.251 1.00 0.45 O ATOM 1460 CB ASN A 91 5.235 -12.039 3.212 1.00 0.63 C ATOM 1461 CG ASN A 91 5.693 -13.338 3.845 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.413 -13.605 5.014 1.00 1.98 O ATOM 1463 ND2 ASN A 91 6.401 -14.155 3.074 1.00 1.60 N ATOM 1464 H ASN A 91 6.072 -10.810 5.273 1.00 0.56 H ATOM 1465 HA ASN A 91 7.232 -11.420 2.759 1.00 0.61 H ATOM 1466 HB2 ASN A 91 4.399 -11.660 3.783 1.00 0.94 H ATOM 1467 HB3 ASN A 91 4.912 -12.246 2.202 1.00 1.02 H ATOM 1468 HD21 ASN A 91 6.585 -13.877 2.152 1.00 1.95 H ATOM 1469 HD22 ASN A 91 6.709 -15.003 3.457 1.00 2.05 H ATOM 1470 N ALA A 92 4.883 -9.089 2.755 1.00 0.42 N ATOM 1471 CA ALA A 92 4.374 -7.938 2.017 1.00 0.39 C ATOM 1472 C ALA A 92 5.487 -6.938 1.717 1.00 0.36 C ATOM 1473 O ALA A 92 5.478 -6.277 0.679 1.00 0.38 O ATOM 1474 CB ALA A 92 3.255 -7.266 2.799 1.00 0.41 C ATOM 1475 H ALA A 92 4.457 -9.340 3.601 1.00 0.45 H ATOM 1476 HA ALA A 92 3.964 -8.296 1.084 1.00 0.44 H ATOM 1477 HB1 ALA A 92 2.326 -7.366 2.257 1.00 1.01 H ATOM 1478 HB2 ALA A 92 3.484 -6.219 2.927 1.00 1.10 H ATOM 1479 HB3 ALA A 92 3.160 -7.735 3.766 1.00 1.18 H ATOM 1480 N MET A 93 6.442 -6.831 2.636 1.00 0.39 N ATOM 1481 CA MET A 93 7.563 -5.911 2.477 1.00 0.43 C ATOM 1482 C MET A 93 8.367 -6.231 1.219 1.00 0.40 C ATOM 1483 O MET A 93 8.401 -5.439 0.276 1.00 0.39 O ATOM 1484 CB MET A 93 8.473 -5.968 3.704 1.00 0.55 C ATOM 1485 CG MET A 93 8.106 -4.963 4.783 1.00 0.71 C ATOM 1486 SD MET A 93 7.939 -5.723 6.410 1.00 1.06 S ATOM 1487 CE MET A 93 8.621 -4.439 7.455 1.00 1.29 C ATOM 1488 H MET A 93 6.391 -7.385 3.443 1.00 0.44 H ATOM 1489 HA MET A 93 7.160 -4.914 2.387 1.00 0.47 H ATOM 1490 HB2 MET A 93 8.420 -6.959 4.131 1.00 0.79 H ATOM 1491 HB3 MET A 93 9.490 -5.774 3.392 1.00 0.83 H ATOM 1492 HG2 MET A 93 8.877 -4.210 4.832 1.00 1.23 H ATOM 1493 HG3 MET A 93 7.166 -4.499 4.519 1.00 1.09 H ATOM 1494 HE1 MET A 93 9.630 -4.701 7.737 1.00 1.92 H ATOM 1495 HE2 MET A 93 8.015 -4.338 8.343 1.00 1.78 H ATOM 1496 HE3 MET A 93 8.630 -3.503 6.916 1.00 1.75 H ATOM 1497 N ARG A 94 9.013 -7.394 1.214 1.00 0.44 N ATOM 1498 CA ARG A 94 9.825 -7.817 0.075 1.00 0.45 C ATOM 1499 C ARG A 94 8.998 -7.879 -1.206 1.00 0.44 C ATOM 1500 O ARG A 94 9.547 -7.907 -2.307 1.00 0.49 O ATOM 1501 CB ARG A 94 10.461 -9.181 0.352 1.00 0.55 C ATOM 1502 CG ARG A 94 9.460 -10.247 0.764 1.00 1.28 C ATOM 1503 CD ARG A 94 9.789 -11.593 0.137 1.00 1.44 C ATOM 1504 NE ARG A 94 10.333 -12.533 1.113 1.00 1.97 N ATOM 1505 CZ ARG A 94 11.632 -12.782 1.251 1.00 2.47 C ATOM 1506 NH1 ARG A 94 12.516 -12.161 0.481 1.00 2.58 N ATOM 1507 NH2 ARG A 94 12.049 -13.654 2.159 1.00 3.39 N ATOM 1508 H ARG A 94 8.941 -7.984 1.993 1.00 0.49 H ATOM 1509 HA ARG A 94 10.610 -7.088 -0.056 1.00 0.46 H ATOM 1510 HB2 ARG A 94 10.966 -9.517 -0.540 1.00 1.27 H ATOM 1511 HB3 ARG A 94 11.186 -9.073 1.146 1.00 1.20 H ATOM 1512 HG2 ARG A 94 9.477 -10.349 1.838 1.00 1.92 H ATOM 1513 HG3 ARG A 94 8.475 -9.943 0.445 1.00 2.01 H ATOM 1514 HD2 ARG A 94 8.886 -12.010 -0.284 1.00 1.99 H ATOM 1515 HD3 ARG A 94 10.515 -11.442 -0.647 1.00 1.62 H ATOM 1516 HE ARG A 94 9.700 -13.002 1.694 1.00 2.48 H ATOM 1517 HH11 ARG A 94 12.207 -11.503 -0.205 1.00 2.40 H ATOM 1518 HH12 ARG A 94 13.493 -12.351 0.587 1.00 3.23 H ATOM 1519 HH21 ARG A 94 11.386 -14.124 2.743 1.00 3.79 H ATOM 1520 HH22 ARG A 94 13.026 -13.841 2.261 1.00 3.89 H ATOM 1521 N LEU A 95 7.676 -7.900 -1.058 1.00 0.44 N ATOM 1522 CA LEU A 95 6.781 -7.962 -2.208 1.00 0.47 C ATOM 1523 C LEU A 95 6.872 -6.686 -3.040 1.00 0.46 C ATOM 1524 O LEU A 95 6.854 -6.734 -4.269 1.00 0.52 O ATOM 1525 CB LEU A 95 5.338 -8.188 -1.750 1.00 0.53 C ATOM 1526 CG LEU A 95 4.663 -9.429 -2.335 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.467 -10.486 -1.259 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.332 -9.061 -2.973 1.00 0.67 C ATOM 1529 H LEU A 95 7.295 -7.874 -0.155 1.00 0.46 H ATOM 1530 HA LEU A 95 7.089 -8.796 -2.820 1.00 0.53 H ATOM 1531 HB2 LEU A 95 5.335 -8.273 -0.674 1.00 0.65 H ATOM 1532 HB3 LEU A 95 4.755 -7.324 -2.029 1.00 0.66 H ATOM 1533 HG LEU A 95 5.298 -9.849 -3.103 1.00 0.62 H ATOM 1534 HD11 LEU A 95 4.914 -10.146 -0.336 1.00 1.16 H ATOM 1535 HD12 LEU A 95 4.938 -11.407 -1.570 1.00 1.29 H ATOM 1536 HD13 LEU A 95 3.411 -10.655 -1.109 1.00 1.46 H ATOM 1537 HD21 LEU A 95 2.653 -9.897 -2.893 1.00 1.16 H ATOM 1538 HD22 LEU A 95 3.487 -8.821 -4.014 1.00 1.20 H ATOM 1539 HD23 LEU A 95 2.913 -8.207 -2.464 1.00 1.21 H ATOM 1540 N ILE A 96 6.967 -5.545 -2.362 1.00 0.43 N ATOM 1541 CA ILE A 96 7.061 -4.259 -3.044 1.00 0.50 C ATOM 1542 C ILE A 96 8.309 -3.494 -2.614 1.00 0.61 C ATOM 1543 O ILE A 96 8.238 -2.317 -2.259 1.00 1.29 O ATOM 1544 CB ILE A 96 5.817 -3.387 -2.783 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.477 -3.372 -1.290 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.635 -3.893 -3.595 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.420 -1.980 -0.700 1.00 0.48 C ATOM 1548 H ILE A 96 6.974 -5.569 -1.383 1.00 0.42 H ATOM 1549 HA ILE A 96 7.119 -4.451 -4.106 1.00 0.53 H ATOM 1550 HB ILE A 96 6.037 -2.380 -3.104 1.00 0.69 H ATOM 1551 HG12 ILE A 96 4.514 -3.834 -1.141 1.00 0.64 H ATOM 1552 HG13 ILE A 96 6.228 -3.931 -0.752 1.00 0.56 H ATOM 1553 HG21 ILE A 96 3.746 -3.345 -3.320 1.00 1.47 H ATOM 1554 HG22 ILE A 96 4.486 -4.944 -3.396 1.00 1.12 H ATOM 1555 HG23 ILE A 96 4.834 -3.751 -4.647 1.00 1.26 H ATOM 1556 HD11 ILE A 96 6.340 -1.773 -0.172 1.00 1.22 H ATOM 1557 HD12 ILE A 96 4.589 -1.913 -0.014 1.00 1.09 H ATOM 1558 HD13 ILE A 96 5.290 -1.258 -1.492 1.00 1.04 H ATOM 1559 N LYS A 97 9.453 -4.170 -2.650 1.00 0.66 N ATOM 1560 CA LYS A 97 10.718 -3.553 -2.267 1.00 0.66 C ATOM 1561 C LYS A 97 11.433 -2.986 -3.490 1.00 0.82 C ATOM 1562 O LYS A 97 12.129 -1.975 -3.404 1.00 1.43 O ATOM 1563 CB LYS A 97 11.615 -4.568 -1.555 1.00 0.74 C ATOM 1564 CG LYS A 97 11.932 -5.797 -2.390 1.00 1.33 C ATOM 1565 CD LYS A 97 13.383 -5.804 -2.841 1.00 1.77 C ATOM 1566 CE LYS A 97 14.243 -6.678 -1.943 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.996 -8.128 -2.176 1.00 2.85 N ATOM 1568 H LYS A 97 9.447 -5.106 -2.942 1.00 1.17 H ATOM 1569 HA LYS A 97 10.497 -2.742 -1.588 1.00 0.61 H ATOM 1570 HB2 LYS A 97 12.546 -4.086 -1.295 1.00 1.42 H ATOM 1571 HB3 LYS A 97 11.123 -4.892 -0.649 1.00 1.11 H ATOM 1572 HG2 LYS A 97 11.745 -6.680 -1.799 1.00 1.66 H ATOM 1573 HG3 LYS A 97 11.293 -5.802 -3.262 1.00 1.88 H ATOM 1574 HD2 LYS A 97 13.435 -6.182 -3.850 1.00 2.02 H ATOM 1575 HD3 LYS A 97 13.763 -4.792 -2.813 1.00 2.08 H ATOM 1576 HE2 LYS A 97 15.282 -6.463 -2.138 1.00 2.69 H ATOM 1577 HE3 LYS A 97 14.015 -6.445 -0.912 1.00 2.60 H ATOM 1578 HZ1 LYS A 97 13.326 -8.254 -2.963 1.00 3.22 H ATOM 1579 HZ2 LYS A 97 13.597 -8.565 -1.322 1.00 3.27 H ATOM 1580 HZ3 LYS A 97 14.888 -8.607 -2.414 1.00 3.09 H ATOM 1581 N ASP A 98 11.264 -3.651 -4.627 1.00 0.74 N ATOM 1582 CA ASP A 98 11.884 -3.211 -5.871 1.00 0.85 C ATOM 1583 C ASP A 98 11.257 -1.912 -6.376 1.00 0.73 C ATOM 1584 O ASP A 98 11.638 -1.401 -7.429 1.00 0.84 O ATOM 1585 CB ASP A 98 11.756 -4.300 -6.939 1.00 1.04 C ATOM 1586 CG ASP A 98 13.015 -4.447 -7.769 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.297 -3.545 -8.586 1.00 1.64 O ATOM 1588 OD2 ASP A 98 13.719 -5.466 -7.605 1.00 1.63 O ATOM 1589 H ASP A 98 10.708 -4.458 -4.629 1.00 1.04 H ATOM 1590 HA ASP A 98 12.931 -3.038 -5.674 1.00 0.99 H ATOM 1591 HB2 ASP A 98 11.552 -5.245 -6.458 1.00 1.28 H ATOM 1592 HB3 ASP A 98 10.937 -4.052 -7.600 1.00 1.22 H ATOM 1593 N TYR A 99 10.296 -1.381 -5.622 1.00 0.60 N ATOM 1594 CA TYR A 99 9.616 -0.149 -6.011 1.00 0.64 C ATOM 1595 C TYR A 99 9.978 1.014 -5.087 1.00 0.78 C ATOM 1596 O TYR A 99 9.684 2.169 -5.393 1.00 1.08 O ATOM 1597 CB TYR A 99 8.100 -0.363 -6.015 1.00 0.63 C ATOM 1598 CG TYR A 99 7.648 -1.455 -6.960 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.659 -2.788 -6.567 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.214 -1.154 -8.245 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.251 -3.788 -7.428 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.802 -2.149 -9.112 1.00 0.84 C ATOM 1603 CZ TYR A 99 6.823 -3.464 -8.699 1.00 0.93 C ATOM 1604 OH TYR A 99 6.418 -4.458 -9.559 1.00 1.13 O ATOM 1605 H TYR A 99 10.039 -1.827 -4.789 1.00 0.58 H ATOM 1606 HA TYR A 99 9.932 0.098 -7.013 1.00 0.71 H ATOM 1607 HB2 TYR A 99 7.779 -0.632 -5.020 1.00 0.62 H ATOM 1608 HB3 TYR A 99 7.614 0.555 -6.311 1.00 0.76 H ATOM 1609 HD1 TYR A 99 7.993 -3.039 -5.571 1.00 0.79 H ATOM 1610 HD2 TYR A 99 7.199 -0.122 -8.567 1.00 0.84 H ATOM 1611 HE1 TYR A 99 7.266 -4.818 -7.104 1.00 1.11 H ATOM 1612 HE2 TYR A 99 6.467 -1.894 -10.107 1.00 0.93 H ATOM 1613 HH TYR A 99 6.192 -5.244 -9.057 1.00 1.46 H ATOM 1614 N VAL A 100 10.615 0.709 -3.958 1.00 0.68 N ATOM 1615 CA VAL A 100 11.012 1.749 -3.010 1.00 0.84 C ATOM 1616 C VAL A 100 12.472 2.139 -3.207 1.00 1.12 C ATOM 1617 O VAL A 100 13.204 1.484 -3.949 1.00 1.37 O ATOM 1618 CB VAL A 100 10.798 1.314 -1.545 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.354 1.537 -1.125 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.202 -0.139 -1.344 1.00 0.84 C ATOM 1621 H VAL A 100 10.824 -0.228 -3.761 1.00 0.62 H ATOM 1622 HA VAL A 100 10.395 2.616 -3.197 1.00 1.03 H ATOM 1623 HB VAL A 100 11.428 1.928 -0.917 1.00 1.05 H ATOM 1624 HG11 VAL A 100 8.758 0.686 -1.418 1.00 1.62 H ATOM 1625 HG12 VAL A 100 8.973 2.426 -1.606 1.00 1.41 H ATOM 1626 HG13 VAL A 100 9.305 1.659 -0.053 1.00 1.45 H ATOM 1627 HG21 VAL A 100 11.103 -0.399 -0.300 1.00 1.35 H ATOM 1628 HG22 VAL A 100 12.228 -0.274 -1.652 1.00 1.42 H ATOM 1629 HG23 VAL A 100 10.560 -0.775 -1.936 1.00 1.39 H ATOM 1630 N SER A 101 12.888 3.212 -2.539 1.00 1.24 N ATOM 1631 CA SER A 101 14.260 3.699 -2.643 1.00 1.56 C ATOM 1632 C SER A 101 15.264 2.596 -2.322 1.00 1.20 C ATOM 1633 O SER A 101 14.923 1.591 -1.699 1.00 1.50 O ATOM 1634 CB SER A 101 14.474 4.887 -1.703 1.00 2.21 C ATOM 1635 OG SER A 101 13.648 5.980 -2.065 1.00 2.53 O ATOM 1636 H SER A 101 12.255 3.689 -1.962 1.00 1.22 H ATOM 1637 HA SER A 101 14.419 4.025 -3.660 1.00 2.16 H ATOM 1638 HB2 SER A 101 14.235 4.592 -0.692 1.00 2.71 H ATOM 1639 HB3 SER A 101 15.507 5.200 -1.752 1.00 2.54 H ATOM 1640 HG SER A 101 13.992 6.785 -1.673 1.00 2.78 H ATOM 1641 N GLU A 102 16.507 2.794 -2.752 1.00 1.32 N ATOM 1642 CA GLU A 102 17.565 1.821 -2.511 1.00 1.81 C ATOM 1643 C GLU A 102 18.048 1.891 -1.068 1.00 1.95 C ATOM 1644 O GLU A 102 18.868 1.079 -0.637 1.00 2.25 O ATOM 1645 CB GLU A 102 18.736 2.061 -3.466 1.00 2.43 C ATOM 1646 CG GLU A 102 18.539 1.440 -4.839 1.00 3.30 C ATOM 1647 CD GLU A 102 18.413 2.478 -5.936 1.00 3.82 C ATOM 1648 OE1 GLU A 102 17.640 3.442 -5.754 1.00 4.26 O ATOM 1649 OE2 GLU A 102 19.087 2.328 -6.976 1.00 4.07 O ATOM 1650 H GLU A 102 16.717 3.615 -3.244 1.00 1.54 H ATOM 1651 HA GLU A 102 17.159 0.837 -2.696 1.00 1.99 H ATOM 1652 HB2 GLU A 102 18.869 3.126 -3.592 1.00 2.60 H ATOM 1653 HB3 GLU A 102 19.632 1.645 -3.030 1.00 2.67 H ATOM 1654 HG2 GLU A 102 19.386 0.808 -5.059 1.00 3.72 H ATOM 1655 HG3 GLU A 102 17.640 0.841 -4.823 1.00 3.62 H ATOM 1656 N ASP A 103 17.537 2.869 -0.326 1.00 1.90 N ATOM 1657 CA ASP A 103 17.914 3.047 1.072 1.00 2.17 C ATOM 1658 C ASP A 103 17.389 1.899 1.929 1.00 1.97 C ATOM 1659 O ASP A 103 17.687 1.814 3.120 1.00 2.18 O ATOM 1660 CB ASP A 103 17.381 4.379 1.601 1.00 2.39 C ATOM 1661 CG ASP A 103 18.489 5.297 2.077 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.362 4.828 2.837 1.00 3.15 O ATOM 1663 OD2 ASP A 103 18.485 6.483 1.688 1.00 3.12 O ATOM 1664 H ASP A 103 16.890 3.485 -0.728 1.00 1.78 H ATOM 1665 HA ASP A 103 18.992 3.055 1.125 1.00 2.48 H ATOM 1666 HB2 ASP A 103 16.837 4.880 0.813 1.00 2.58 H ATOM 1667 HB3 ASP A 103 16.714 4.190 2.430 1.00 2.43 H ATOM 1668 N LEU A 104 16.606 1.018 1.315 1.00 1.66 N ATOM 1669 CA LEU A 104 16.042 -0.126 2.021 1.00 1.57 C ATOM 1670 C LEU A 104 17.040 -1.277 2.068 1.00 1.70 C ATOM 1671 O LEU A 104 16.846 -2.250 2.795 1.00 1.91 O ATOM 1672 CB LEU A 104 14.745 -0.587 1.346 1.00 1.43 C ATOM 1673 CG LEU A 104 13.489 0.215 1.708 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.264 0.221 3.213 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.590 1.638 1.176 1.00 1.73 C ATOM 1676 H LEU A 104 16.400 1.141 0.364 1.00 1.57 H ATOM 1677 HA LEU A 104 15.822 0.183 3.032 1.00 1.73 H ATOM 1678 HB2 LEU A 104 14.885 -0.532 0.276 1.00 1.79 H ATOM 1679 HB3 LEU A 104 14.575 -1.619 1.615 1.00 1.84 H ATOM 1680 HG LEU A 104 12.631 -0.252 1.248 1.00 1.98 H ATOM 1681 HD11 LEU A 104 14.091 0.718 3.699 1.00 2.25 H ATOM 1682 HD12 LEU A 104 13.195 -0.795 3.571 1.00 2.09 H ATOM 1683 HD13 LEU A 104 12.347 0.744 3.437 1.00 2.12 H ATOM 1684 HD21 LEU A 104 14.500 2.092 1.534 1.00 2.06 H ATOM 1685 HD22 LEU A 104 12.741 2.210 1.520 1.00 2.19 H ATOM 1686 HD23 LEU A 104 13.596 1.618 0.096 1.00 2.29 H ATOM 1687 N HIS A 105 18.109 -1.157 1.285 1.00 1.83 N ATOM 1688 CA HIS A 105 19.143 -2.185 1.240 1.00 2.15 C ATOM 1689 C HIS A 105 19.892 -2.257 2.566 1.00 2.44 C ATOM 1690 O HIS A 105 20.950 -1.646 2.727 1.00 2.79 O ATOM 1691 CB HIS A 105 20.122 -1.906 0.097 1.00 2.42 C ATOM 1692 CG HIS A 105 19.756 -2.590 -1.184 1.00 2.36 C ATOM 1693 ND1 HIS A 105 20.663 -3.298 -1.945 1.00 2.91 N ATOM 1694 CD2 HIS A 105 18.572 -2.675 -1.836 1.00 2.29 C ATOM 1695 CE1 HIS A 105 20.052 -3.786 -3.011 1.00 3.15 C ATOM 1696 NE2 HIS A 105 18.784 -3.423 -2.967 1.00 2.81 N ATOM 1697 H HIS A 105 18.205 -0.359 0.726 1.00 1.84 H ATOM 1698 HA HIS A 105 18.659 -3.133 1.063 1.00 2.09 H ATOM 1699 HB2 HIS A 105 20.151 -0.843 -0.090 1.00 2.49 H ATOM 1700 HB3 HIS A 105 21.107 -2.242 0.386 1.00 2.97 H ATOM 1701 HD1 HIS A 105 21.612 -3.422 -1.737 1.00 3.27 H ATOM 1702 HD2 HIS A 105 17.635 -2.235 -1.524 1.00 2.19 H ATOM 1703 HE1 HIS A 105 20.513 -4.382 -3.785 1.00 3.74 H ATOM 1704 HE2 HIS A 105 18.118 -3.611 -3.660 1.00 3.07 H ATOM 1705 N LYS A 106 19.335 -3.005 3.513 1.00 2.38 N ATOM 1706 CA LYS A 106 19.943 -3.155 4.829 1.00 2.72 C ATOM 1707 C LYS A 106 19.273 -4.277 5.616 1.00 2.73 C ATOM 1708 O LYS A 106 19.940 -5.047 6.308 1.00 3.11 O ATOM 1709 CB LYS A 106 19.844 -1.843 5.610 1.00 2.83 C ATOM 1710 CG LYS A 106 18.505 -1.139 5.454 1.00 2.56 C ATOM 1711 CD LYS A 106 17.898 -0.789 6.803 1.00 2.86 C ATOM 1712 CE LYS A 106 17.740 0.713 6.972 1.00 3.00 C ATOM 1713 NZ LYS A 106 16.337 1.092 7.291 1.00 3.43 N ATOM 1714 H LYS A 106 18.494 -3.470 3.319 1.00 2.14 H ATOM 1715 HA LYS A 106 20.985 -3.402 4.688 1.00 2.97 H ATOM 1716 HB2 LYS A 106 19.996 -2.051 6.660 1.00 3.13 H ATOM 1717 HB3 LYS A 106 20.620 -1.175 5.268 1.00 2.91 H ATOM 1718 HG2 LYS A 106 18.651 -0.228 4.891 1.00 2.56 H ATOM 1719 HG3 LYS A 106 17.825 -1.788 4.921 1.00 2.26 H ATOM 1720 HD2 LYS A 106 16.926 -1.253 6.881 1.00 2.80 H ATOM 1721 HD3 LYS A 106 18.542 -1.164 7.585 1.00 3.25 H ATOM 1722 HE2 LYS A 106 18.384 1.043 7.774 1.00 3.19 H ATOM 1723 HE3 LYS A 106 18.035 1.198 6.052 1.00 3.17 H ATOM 1724 HZ1 LYS A 106 15.790 1.216 6.414 1.00 3.66 H ATOM 1725 HZ2 LYS A 106 16.320 1.984 7.825 1.00 3.72 H ATOM 1726 HZ3 LYS A 106 15.888 0.349 7.865 1.00 3.80 H ATOM 1727 N TYR A 107 17.951 -4.363 5.505 1.00 2.40 N ATOM 1728 CA TYR A 107 17.188 -5.388 6.206 1.00 2.46 C ATOM 1729 C TYR A 107 17.046 -6.629 5.337 1.00 2.35 C ATOM 1730 O TYR A 107 16.908 -7.745 5.840 1.00 2.42 O ATOM 1731 CB TYR A 107 15.804 -4.851 6.592 1.00 2.46 C ATOM 1732 CG TYR A 107 14.831 -4.783 5.432 1.00 2.20 C ATOM 1733 CD1 TYR A 107 14.755 -3.652 4.627 1.00 2.03 C ATOM 1734 CD2 TYR A 107 13.990 -5.851 5.143 1.00 2.20 C ATOM 1735 CE1 TYR A 107 13.870 -3.589 3.567 1.00 1.88 C ATOM 1736 CE2 TYR A 107 13.104 -5.796 4.085 1.00 2.07 C ATOM 1737 CZ TYR A 107 13.048 -4.664 3.301 1.00 1.92 C ATOM 1738 OH TYR A 107 12.166 -4.605 2.246 1.00 1.91 O ATOM 1739 H TYR A 107 17.479 -3.733 4.921 1.00 2.20 H ATOM 1740 HA TYR A 107 17.727 -5.648 7.104 1.00 2.68 H ATOM 1741 HB2 TYR A 107 15.375 -5.494 7.345 1.00 2.63 H ATOM 1742 HB3 TYR A 107 15.912 -3.855 6.994 1.00 2.58 H ATOM 1743 HD1 TYR A 107 15.402 -2.812 4.838 1.00 2.09 H ATOM 1744 HD2 TYR A 107 14.037 -6.737 5.760 1.00 2.37 H ATOM 1745 HE1 TYR A 107 13.827 -2.702 2.953 1.00 1.81 H ATOM 1746 HE2 TYR A 107 12.461 -6.639 3.877 1.00 2.16 H ATOM 1747 HH TYR A 107 11.278 -4.794 2.561 1.00 2.07 H ATOM 1748 N ILE A 108 17.078 -6.415 4.026 1.00 2.27 N ATOM 1749 CA ILE A 108 16.951 -7.498 3.063 1.00 2.27 C ATOM 1750 C ILE A 108 17.952 -8.619 3.353 1.00 2.49 C ATOM 1751 O ILE A 108 19.153 -8.370 3.459 1.00 2.67 O ATOM 1752 CB ILE A 108 17.167 -6.984 1.626 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.053 -6.010 1.239 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.226 -8.144 0.646 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.563 -4.670 0.760 1.00 1.86 C ATOM 1756 H ILE A 108 17.191 -5.499 3.698 1.00 2.27 H ATOM 1757 HA ILE A 108 15.948 -7.890 3.135 1.00 2.19 H ATOM 1758 HB ILE A 108 18.114 -6.467 1.591 1.00 2.35 H ATOM 1759 HG12 ILE A 108 15.464 -6.444 0.445 1.00 2.22 H ATOM 1760 HG13 ILE A 108 15.420 -5.839 2.098 1.00 2.11 H ATOM 1761 HG21 ILE A 108 16.764 -9.013 1.090 1.00 2.84 H ATOM 1762 HG22 ILE A 108 18.257 -8.362 0.410 1.00 2.61 H ATOM 1763 HG23 ILE A 108 16.698 -7.877 -0.258 1.00 3.05 H ATOM 1764 HD11 ILE A 108 16.145 -3.885 1.374 1.00 2.15 H ATOM 1765 HD12 ILE A 108 16.266 -4.518 -0.268 1.00 2.11 H ATOM 1766 HD13 ILE A 108 17.640 -4.648 0.830 1.00 2.00 H ATOM 1767 N PRO A 109 17.472 -9.871 3.486 1.00 2.54 N ATOM 1768 CA PRO A 109 18.340 -11.022 3.763 1.00 2.77 C ATOM 1769 C PRO A 109 19.347 -11.266 2.644 1.00 3.02 C ATOM 1770 O PRO A 109 18.994 -11.238 1.464 1.00 3.11 O ATOM 1771 CB PRO A 109 17.367 -12.204 3.872 1.00 2.80 C ATOM 1772 CG PRO A 109 16.025 -11.591 4.086 1.00 2.70 C ATOM 1773 CD PRO A 109 16.056 -10.268 3.380 1.00 2.48 C ATOM 1774 HA PRO A 109 18.868 -10.901 4.698 1.00 2.86 H ATOM 1775 HB2 PRO A 109 17.395 -12.780 2.958 1.00 2.95 H ATOM 1776 HB3 PRO A 109 17.650 -12.829 4.705 1.00 2.90 H ATOM 1777 HG2 PRO A 109 15.260 -12.224 3.662 1.00 2.82 H ATOM 1778 HG3 PRO A 109 15.851 -11.448 5.143 1.00 2.78 H ATOM 1779 HD2 PRO A 109 15.763 -10.383 2.346 1.00 2.51 H ATOM 1780 HD3 PRO A 109 15.417 -9.554 3.880 1.00 2.40 H ATOM 1781 N ARG A 110 20.600 -11.508 3.023 1.00 3.26 N ATOM 1782 CA ARG A 110 21.665 -11.755 2.055 1.00 3.61 C ATOM 1783 C ARG A 110 21.737 -10.632 1.024 1.00 3.87 C ATOM 1784 O ARG A 110 22.270 -9.554 1.362 1.00 4.38 O ATOM 1785 CB ARG A 110 21.449 -13.099 1.354 1.00 4.21 C ATOM 1786 CG ARG A 110 21.523 -14.295 2.291 1.00 4.62 C ATOM 1787 CD ARG A 110 21.853 -15.572 1.537 1.00 5.34 C ATOM 1788 NE ARG A 110 21.833 -16.745 2.408 1.00 5.83 N ATOM 1789 CZ ARG A 110 20.762 -17.514 2.585 1.00 6.55 C ATOM 1790 NH1 ARG A 110 19.629 -17.235 1.955 1.00 6.84 N ATOM 1791 NH2 ARG A 110 20.827 -18.564 3.393 1.00 7.27 N ATOM 1792 OXT ARG A 110 21.262 -10.839 -0.112 1.00 4.05 O ATOM 1793 H ARG A 110 20.813 -11.520 3.980 1.00 3.28 H ATOM 1794 HA ARG A 110 22.599 -11.788 2.597 1.00 3.74 H ATOM 1795 HB2 ARG A 110 20.476 -13.095 0.886 1.00 4.52 H ATOM 1796 HB3 ARG A 110 22.205 -13.219 0.593 1.00 4.53 H ATOM 1797 HG2 ARG A 110 22.291 -14.115 3.029 1.00 4.69 H ATOM 1798 HG3 ARG A 110 20.569 -14.414 2.783 1.00 4.82 H ATOM 1799 HD2 ARG A 110 21.126 -15.709 0.750 1.00 5.68 H ATOM 1800 HD3 ARG A 110 22.837 -15.475 1.102 1.00 5.59 H ATOM 1801 HE ARG A 110 22.659 -16.970 2.885 1.00 5.88 H ATOM 1802 HH11 ARG A 110 19.577 -16.444 1.345 1.00 6.55 H ATOM 1803 HH12 ARG A 110 18.826 -17.815 2.090 1.00 7.55 H ATOM 1804 HH21 ARG A 110 21.679 -18.777 3.869 1.00 7.31 H ATOM 1805 HH22 ARG A 110 20.021 -19.142 3.526 1.00 7.94 H TER 1806 ARG A 110