USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) HEADER HIV-INACTIVATING PROTEIN 06-MAY-98 2EZM TITLE SOLUTION NMR STRUCTURE OF CYANOVIRIN-N, RESTRAINED TITLE 2 REGULARIZED MEAN COORDINATES COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYANOVIRIN-N; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; SOURCE 3 ORGANISM_TAXID: 45916 KEYWDS HIV-INACTIVATING PROTEIN EXPDTA SOLUTION NMR AUTHOR C.A.BEWLEY,A.M.GRONENBORN,G.M.CLORE REVDAT 2 24-FEB-09 2EZM 1 VERSN REVDAT 1 11-MAY-99 2EZM 0 JRNL AUTH C.A.BEWLEY,K.R.GUSTAFSON,M.R.BOYD,D.G.COVELL,A.BAX, JRNL AUTH 2 G.M.CLORE,A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE OF CYANOVIRIN-N, A POTENT JRNL TITL 2 HIV-INACTIVATING PROTEIN. JRNL REF NAT.STRUCT.BIOL. V. 5 571 1998 JRNL REFN ISSN 1072-8368 JRNL PMID 9665171 JRNL DOI 10.1038/828 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, DELANO, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 AVE.RMS DIFF. TO MEAN FOR ALL NON-H-ATOMS (RESIDUES REMARK 3 1:101)= 0.433636 REMARK 3 REMARK 3 AVE.RMS DIFF. TO MEAN FOR BACKBONE ATOMS (N, CA, C', O) REMARK 3 (RESIDUES 1:101)= 0.139826 REMARK 3 REMARK 3 RMS DEVIATIONS FOR BONDS, ANGLES, IMPROPERS, CDIH, NOE, REMARK 3 COUP 5.067337E-03, 0.712983, 0.667194, 0.157308, REMARK 3 1.428009E-02, 0.608909 REMARK 3 C13CA AND CB SHIFTS RMS : 0.852581, 1.15742 REMARK 3 REMARK 3 JCOUP STATS: NON-GLY RESIDUES GLY REMARK 3 RMS-D: 0.608909 1.46813 REMARK 3 REMARK 3 BACKBONE DIPOLAR COUPLINGS NH CH CACO NCO HNCO REMARK 3 RMS : 0.466712 1.15058 1.29414 0.572019 1.2653 REMARK 3 REMARK 3 SIDECHAIN DIPOLAR COUPLINGS CH CH3S CH3D ARO REMARK 3 RMS DIPO_SIDE: 1.6875 0.796796 0.531907 0.160016 REMARK 3 REMARK 3 RMS FOR 1H SHIFTS: ALL ALPHA ALPHA_GLY METHYL(S) REMARK 3 METHYL(D) OTHER(S) OTHER(D) REMARK 3 RMS PROT: 0.263524 0.243015 0.23853 0.115892 0.148148 REMARK 3 0.267304 0.300122 REMARK 3 REMARK 3 IN THE RESTRAINED REGULARIZED MEAN COORDINATES (2EZM) THE REMARK 3 LAST COLUMN REPRESENTS THE AVERAGE RMS DIFFERENCE BETWEEN REMARK 3 THE INDIVIDUAL SIMULATED ANNEALING STRUCTURES AND THE MEAN REMARK 3 COORDINATE POSITIONS. THE LAST COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES (2EZN) HAS NO MEANING. BEST FITTING TO GENERATE REMARK 3 THE AVERAGE STRUCTURE IS WITH RESPECT TO RESIDUES 1-101. REMARK 3 NOTE THE OCCUPANCY FIELD HAS NO MEANING. REMARK 4 REMARK 4 2EZM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TRIPLE RESONANCE FOR REMARK 210 ASSIGNMENT OF PROTEIN: REMARK 210 CBCA(CO)NH, CBCANH, HNCO, REMARK 210 C(CO)NH, H(CCO)NH, HCCH-COSY, REMARK 210 HCCH-TOCSY, HNHA, 15N- REMARK 210 SEPARATED HOHAHA; QUANTITATIVE REMARK 210 J CORRELATION FOR COUPLING REMARK 210 CONSTANTS; 3D 15N-SEPARATED REMARK 210 NOE, 3D 13C-SEPARATED NOE AND REMARK 210 ROE, 4D 15N/13C-SEPARATED NOE, REMARK 210 4D 13C/13C-SEPARATED NOE REMARK 210 EXPERIMENTS; 3D HCA(CO)N FOR REMARK 210 THREE-BOND AMINIDE DEUTERIUM REMARK 210 ISOTOPE SHIFTS; VARIOUS REMARK 210 COUPLED 2D AND 3D SPECTRA TO REMARK 210 MEASURE THE N-H, CA-H, C-H CA- REMARK 210 C', N-C', HN-C' DIPOLAR REMARK 210 COUPLINGS OBTAINED BY TAKING REMARK 210 THE DIFFERENCE IN THE J REMARK 210 SPLITTINGS IN ISOTROPIC REMARK 210 MEDIUM, IN A LIQUID REMARK 210 CRYSTALLINE MEDIUM (4% 3:1 REMARK 210 DMPC:DHPC). REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DMX600, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE 3D STRUCTURE OF CYANOVIRIN SOLVED BY MULTI- REMARK 210 DIMENSIONAL HETERONUCLEAR NMR AND IS BASED ON 2597 REMARK 210 EXPERIMENTAL NMR RESTRAINTS: 419 SEQUENTIAL (|I- J|=1), 170 REMARK 210 MEDIUM RANGE (1 < |I-J| <=5) AND 554 LONG RANGE (|I-J| >5) REMARK 210 INTERRESIDUES AND 19 INTRARESIDUE APPROXIMATE INTERPROTON REMARK 210 DISTANCE RESTRAINTS; 109 DISTANCE RESTRAINTS FOR 55 H-BONDS; REMARK 210 339 TORSION ANGLE RESTRAINTS (100 PHI, 98 PSI, 76 CHI1, 48 REMARK 210 CHI2, 15 CHI3, 2 CHI4); 82 THREE-BOND HN-HA COUPLING CONSTANT REMARK 210 RESTRAINTS; 157 (82 CALPHA AND 75 CBETA) 13C SHIFT RESTRAINTS; REMARK 210 362 1H SHIFT RESTRAINTS; AND 386 DIPOLAR COUPLING RESTRAINTS REMARK 210 (82 N-H, 76 C-H, 43 CA-C', 65 N-C' 62 HNC', 58 SIDE-CHAIN C-H) REMARK 210 . THE STRUCTURES WERE CALCULATED USING THE SIMULATED ANNEALING REMARK 210 PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, 129-136 USING REMARK 210 THE PROGRAM CNS (BRUNGER ET AL. ACTA CRYST SERIES D IN PRESS) REMARK 210 MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. REMARK 210 (1984) J. MAGN. RESON. SERIES B 104, 99-103), CARBON CHEMICAL REMARK 210 SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B 106, REMARK 210 92-96), 1H CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. REMARK 210 RESON. SERIES B 107, 293-297; KUSZEWSKI ET AL. (1996) J. MAGN. REMARK 210 RESON. SERIES B 112, 79-81), AND DIPOLAR COUPLING (CLORE ET REMARK 210 AL. (1998) J. MAGN. RESON. 131, 159-162) RESTRAINTS, AND A REMARK 210 CONFORMATIONAL DATABASE POTENTIAL (KUSZEWSKI ET AL. (1996) REMARK 210 PROTEIN SCI. 5, 1067-1080; KUSZEWSKI ET AL. (1997) J. MAGN. REMARK 210 RESON 125, 171-177). 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 52 12.36 174.41 REMARK 500 REMARK 500 REMARK: NULL DBREF 2EZM A 1 101 UNP P81180 CVN_NOSEL 1 101 SEQRES 1 A 101 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 A 101 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 A 101 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 A 101 ILE GLU ASN VAL ASP GLY SER LEU LYS TRP GLN PRO SER SEQRES 5 A 101 ASN PHE ILE GLU THR CYS ARG ASN THR GLN LEU ALA GLY SEQRES 6 A 101 SER SER GLU LEU ALA ALA GLU CYS LYS THR ARG ALA GLN SEQRES 7 A 101 GLN PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE SEQRES 8 A 101 ALA ASN ILE ASP GLY THR LEU LYS TYR GLU HELIX 1 1 PHE A 4 GLN A 6 5 3 HELIX 2 2 LEU A 36 SER A 38 5 3 HELIX 3 3 PHE A 54 GLU A 56 5 3 HELIX 4 4 LEU A 87 ASP A 89 5 3 SHEET 1 A 3 ALA A 12 GLN A 14 0 SHEET 2 A 3 VAL A 17 GLU A 23 -1 N THR A 19 O ALA A 12 SHEET 3 A 3 TYR A 29 ASP A 35 -1 N ILE A 34 O LEU A 18 SHEET 1 B 2 ILE A 40 VAL A 43 0 SHEET 2 B 2 SER A 46 TRP A 49 -1 N LYS A 48 O GLU A 41 SHEET 1 C 3 GLN A 62 ALA A 64 0 SHEET 2 C 3 GLU A 68 LYS A 74 -1 N ALA A 70 O GLN A 62 SHEET 3 C 3 PHE A 80 ASN A 86 -1 N ILE A 85 O LEU A 69 SSBOND *** CYS A 8 CYS A 22 1555 1555 2.02 SSBOND *** CYS A 58 CYS A 73 1555 1555 2.02 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -0.187 K(o=-0.19,f=-3.1) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 131:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.0274 K(o=1.2,f=-8!) USER MOD Set 3.1: A 67 SER OG : rot 179:sc= 1.22 USER MOD Set 3.2: A 86 ASN : amide:sc= 0.0674 K(o=1.3,f=-7!) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.63 K(o=-0.59,f=-2.9!) USER MOD Set 4.2: A 57 THR OG1 : rot -160:sc= 0.0383 USER MOD Set 5.1: A 37 ASN : amide:sc= -3.93 K(o=-3.9,f=-7.4!) USER MOD Set 5.2: A 53 ASN : amide:sc= 0.0386 K(o=-3.9,f=-11!) USER MOD Set 6.1: A 19 THR OG1 : rot -80:sc= 1.22 USER MOD Set 6.2: A 33 SER OG : rot 8:sc= 1.13 USER MOD Set 7.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 11 SER OG : rot 170:sc= 1.07 USER MOD Set 8.2: A 20 SER OG : rot 143:sc= 1.19 USER MOD Set 9.1: A 7 THR OG1 : rot -160:sc= 0.0465 USER MOD Set 9.2: A 93 ASN : amide:sc= -0.895 K(o=-0.85,f=-5.8!) USER MOD Single : A 1 LEU N :NH3+ -159:sc= -0.0808 (180deg=-0.586) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.6) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.642 K(o=-0.64,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.8!) USER MOD Single : A 16 SER OG : rot 108:sc= 0.178 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -140:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.972! X(o=-0.97!,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.6!) USER MOD Single : A 61 THR OG1 : rot 138:sc= 1.15 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 79 GLN : amide:sc=-0.00202 K(o=-0.002,f=-1.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -80:sc= -0.335 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= -0.684 K(o=-0.68,f=-1.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.257 11.852 -3.953 1.00 0.24 N ATOM 2 CA LEU A 1 83.312 10.829 -4.485 1.00 0.21 C ATOM 3 C LEU A 1 82.334 10.402 -3.389 1.00 0.17 C ATOM 4 O LEU A 1 82.708 10.187 -2.253 1.00 0.18 O ATOM 5 CB LEU A 1 84.092 9.595 -4.947 1.00 0.24 C ATOM 6 CG LEU A 1 85.048 9.966 -6.091 1.00 0.29 C ATOM 7 CD1 LEU A 1 85.914 8.743 -6.434 1.00 0.33 C ATOM 8 CD2 LEU A 1 84.245 10.416 -7.342 1.00 0.31 C ATOM 0 H1 LEU A 1 84.668 12.389 -4.743 1.00 0.24 H new ATOM 0 H2 LEU A 1 83.746 12.501 -3.321 1.00 0.24 H new ATOM 0 H3 LEU A 1 85.017 11.380 -3.423 1.00 0.24 H new ATOM 0 HA LEU A 1 82.765 11.262 -5.323 1.00 0.21 H new ATOM 0 HB2 LEU A 1 84.657 9.180 -4.112 1.00 0.24 H new ATOM 0 HB3 LEU A 1 83.399 8.822 -5.279 1.00 0.24 H new ATOM 0 HG LEU A 1 85.685 10.793 -5.777 1.00 0.29 H new ATOM 0 HD11 LEU A 1 86.596 8.996 -7.245 1.00 0.33 H new ATOM 0 HD12 LEU A 1 86.488 8.446 -5.556 1.00 0.33 H new ATOM 0 HD13 LEU A 1 85.272 7.918 -6.744 1.00 0.33 H new ATOM 0 HD21 LEU A 1 84.936 10.676 -8.144 1.00 0.31 H new ATOM 0 HD22 LEU A 1 83.597 9.603 -7.670 1.00 0.31 H new ATOM 0 HD23 LEU A 1 83.637 11.285 -7.091 1.00 0.31 H new ATOM 22 N GLY A 2 81.081 10.280 -3.725 1.00 0.14 N ATOM 23 CA GLY A 2 80.061 9.862 -2.720 1.00 0.13 C ATOM 24 C GLY A 2 79.918 10.928 -1.634 1.00 0.14 C ATOM 25 O GLY A 2 79.972 12.103 -1.923 1.00 0.19 O ATOM 0 H GLY A 2 80.715 10.453 -4.661 1.00 0.14 H new ATOM 0 HA2 GLY A 2 79.101 9.702 -3.211 1.00 0.13 H new ATOM 0 HA3 GLY A 2 80.351 8.912 -2.271 1.00 0.13 H new ATOM 29 N LYS A 3 79.721 10.514 -0.387 1.00 0.14 N ATOM 30 CA LYS A 3 79.557 11.453 0.777 1.00 0.15 C ATOM 31 C LYS A 3 78.138 12.023 0.801 1.00 0.13 C ATOM 32 O LYS A 3 77.866 13.023 1.436 1.00 0.14 O ATOM 33 CB LYS A 3 80.599 12.583 0.745 1.00 0.17 C ATOM 34 CG LYS A 3 81.996 11.954 0.743 1.00 0.21 C ATOM 35 CD LYS A 3 83.063 13.046 0.714 1.00 0.48 C ATOM 36 CE LYS A 3 84.440 12.397 0.580 1.00 1.04 C ATOM 37 NZ LYS A 3 85.496 13.439 0.713 1.00 1.91 N ATOM 0 H LYS A 3 79.667 9.529 -0.129 1.00 0.14 H new ATOM 0 HA LYS A 3 79.723 10.885 1.692 1.00 0.15 H new ATOM 0 HB2 LYS A 3 80.460 13.201 -0.142 1.00 0.17 H new ATOM 0 HB3 LYS A 3 80.478 13.235 1.610 1.00 0.17 H new ATOM 0 HG2 LYS A 3 82.125 11.332 1.629 1.00 0.21 H new ATOM 0 HG3 LYS A 3 82.108 11.302 -0.123 1.00 0.21 H new ATOM 0 HD2 LYS A 3 82.884 13.724 -0.120 1.00 0.48 H new ATOM 0 HD3 LYS A 3 83.016 13.642 1.625 1.00 0.48 H new ATOM 0 HE2 LYS A 3 84.570 11.633 1.346 1.00 1.04 H new ATOM 0 HE3 LYS A 3 84.526 11.898 -0.385 1.00 1.04 H new ATOM 0 HZ1 LYS A 3 86.433 12.997 0.622 1.00 1.91 H new ATOM 0 HZ2 LYS A 3 85.376 14.153 -0.034 1.00 1.91 H new ATOM 0 HZ3 LYS A 3 85.418 13.896 1.644 1.00 1.91 H new ATOM 51 N PHE A 4 77.228 11.381 0.124 1.00 0.12 N ATOM 52 CA PHE A 4 75.817 11.859 0.109 1.00 0.11 C ATOM 53 C PHE A 4 75.352 12.183 1.535 1.00 0.12 C ATOM 54 O PHE A 4 74.388 12.897 1.723 1.00 0.12 O ATOM 55 CB PHE A 4 74.921 10.759 -0.482 1.00 0.11 C ATOM 56 CG PHE A 4 74.689 9.666 0.547 1.00 0.11 C ATOM 57 CD1 PHE A 4 75.645 8.648 0.738 1.00 0.12 C ATOM 58 CD2 PHE A 4 73.513 9.680 1.323 1.00 0.12 C ATOM 59 CE1 PHE A 4 75.420 7.644 1.700 1.00 0.13 C ATOM 60 CE2 PHE A 4 73.292 8.677 2.285 1.00 0.13 C ATOM 61 CZ PHE A 4 74.244 7.659 2.473 1.00 0.13 C ATOM 0 H PHE A 4 77.402 10.539 -0.424 1.00 0.12 H new ATOM 0 HA PHE A 4 75.750 12.762 -0.498 1.00 0.11 H new ATOM 0 HB2 PHE A 4 73.967 11.184 -0.793 1.00 0.11 H new ATOM 0 HB3 PHE A 4 75.388 10.338 -1.372 1.00 0.11 H new ATOM 0 HD1 PHE A 4 76.549 8.638 0.147 1.00 0.12 H new ATOM 0 HD2 PHE A 4 72.781 10.461 1.179 1.00 0.12 H new ATOM 0 HE1 PHE A 4 76.151 6.862 1.845 1.00 0.13 H new ATOM 0 HE2 PHE A 4 72.390 8.689 2.880 1.00 0.13 H new ATOM 0 HZ PHE A 4 74.073 6.889 3.210 1.00 0.13 H new ATOM 71 N SER A 5 75.991 11.656 2.543 1.00 0.12 N ATOM 72 CA SER A 5 75.530 11.932 3.931 1.00 0.13 C ATOM 73 C SER A 5 75.803 13.388 4.323 1.00 0.13 C ATOM 74 O SER A 5 75.278 13.875 5.304 1.00 0.14 O ATOM 75 CB SER A 5 76.261 10.992 4.888 1.00 0.14 C ATOM 76 OG SER A 5 77.659 11.239 4.812 1.00 0.19 O ATOM 0 H SER A 5 76.808 11.050 2.466 1.00 0.12 H new ATOM 0 HA SER A 5 74.454 11.766 3.987 1.00 0.13 H new ATOM 0 HB2 SER A 5 75.908 11.146 5.908 1.00 0.14 H new ATOM 0 HB3 SER A 5 76.049 9.954 4.630 1.00 0.14 H new ATOM 0 HG SER A 5 78.131 10.639 5.426 1.00 0.19 H new ATOM 82 N GLN A 6 76.600 14.101 3.568 1.00 0.14 N ATOM 83 CA GLN A 6 76.865 15.528 3.918 1.00 0.15 C ATOM 84 C GLN A 6 75.627 16.378 3.642 1.00 0.14 C ATOM 85 O GLN A 6 75.430 17.401 4.269 1.00 0.14 O ATOM 86 CB GLN A 6 78.029 16.079 3.092 1.00 0.18 C ATOM 87 CG GLN A 6 79.346 15.450 3.548 1.00 0.20 C ATOM 88 CD GLN A 6 80.487 16.035 2.713 1.00 0.27 C ATOM 89 OE1 GLN A 6 80.487 17.211 2.407 1.00 1.12 O ATOM 90 NE2 GLN A 6 81.471 15.270 2.341 1.00 1.09 N ATOM 0 H GLN A 6 77.074 13.760 2.732 1.00 0.14 H new ATOM 0 HA GLN A 6 77.117 15.571 4.977 1.00 0.15 H new ATOM 0 HB2 GLN A 6 77.865 15.870 2.035 1.00 0.18 H new ATOM 0 HB3 GLN A 6 78.079 17.163 3.199 1.00 0.18 H new ATOM 0 HG2 GLN A 6 79.513 15.649 4.607 1.00 0.20 H new ATOM 0 HG3 GLN A 6 79.308 14.367 3.429 1.00 0.20 H new ATOM 0 HE21 GLN A 6 81.474 14.282 2.596 1.00 1.09 H new ATOM 0 HE22 GLN A 6 82.240 15.658 1.794 1.00 1.09 H new ATOM 99 N THR A 7 74.796 15.980 2.706 1.00 0.12 N ATOM 100 CA THR A 7 73.573 16.793 2.390 1.00 0.12 C ATOM 101 C THR A 7 72.314 15.928 2.457 1.00 0.11 C ATOM 102 O THR A 7 71.287 16.302 1.925 1.00 0.11 O ATOM 103 CB THR A 7 73.701 17.397 0.988 1.00 0.12 C ATOM 104 OG1 THR A 7 73.933 16.356 0.049 1.00 0.12 O ATOM 105 CG2 THR A 7 74.867 18.393 0.944 1.00 0.13 C ATOM 0 H THR A 7 74.909 15.133 2.149 1.00 0.12 H new ATOM 0 HA THR A 7 73.490 17.590 3.129 1.00 0.12 H new ATOM 0 HB THR A 7 72.778 17.922 0.740 1.00 0.12 H new ATOM 0 HG1 THR A 7 74.324 16.733 -0.767 1.00 0.12 H new ATOM 0 HG21 THR A 7 74.947 18.815 -0.058 1.00 0.13 H new ATOM 0 HG22 THR A 7 74.689 19.194 1.662 1.00 0.13 H new ATOM 0 HG23 THR A 7 75.794 17.879 1.196 1.00 0.13 H new ATOM 113 N CYS A 8 72.360 14.789 3.118 1.00 0.11 N ATOM 114 CA CYS A 8 71.131 13.930 3.229 1.00 0.10 C ATOM 115 C CYS A 8 70.932 13.559 4.701 1.00 0.11 C ATOM 116 O CYS A 8 71.873 13.537 5.469 1.00 0.11 O ATOM 117 CB CYS A 8 71.291 12.673 2.369 1.00 0.11 C ATOM 118 SG CYS A 8 71.608 13.160 0.651 1.00 0.10 S ATOM 0 H CYS A 8 73.190 14.420 3.582 1.00 0.11 H new ATOM 0 HA CYS A 8 70.257 14.473 2.869 1.00 0.10 H new ATOM 0 HB2 CYS A 8 72.113 12.064 2.744 1.00 0.11 H new ATOM 0 HB3 CYS A 8 70.390 12.062 2.426 1.00 0.11 H new ATOM 123 N TYR A 9 69.718 13.288 5.113 1.00 0.11 N ATOM 124 CA TYR A 9 69.481 12.939 6.550 1.00 0.12 C ATOM 125 C TYR A 9 68.323 11.939 6.666 1.00 0.13 C ATOM 126 O TYR A 9 67.665 11.623 5.694 1.00 0.12 O ATOM 127 CB TYR A 9 69.166 14.215 7.336 1.00 0.15 C ATOM 128 CG TYR A 9 67.820 14.757 6.932 1.00 0.15 C ATOM 129 CD1 TYR A 9 67.703 15.595 5.807 1.00 0.16 C ATOM 130 CD2 TYR A 9 66.683 14.428 7.687 1.00 0.18 C ATOM 131 CE1 TYR A 9 66.443 16.103 5.438 1.00 0.19 C ATOM 132 CE2 TYR A 9 65.422 14.937 7.321 1.00 0.21 C ATOM 133 CZ TYR A 9 65.302 15.775 6.195 1.00 0.22 C ATOM 134 OH TYR A 9 64.068 16.277 5.835 1.00 0.27 O ATOM 0 H TYR A 9 68.886 13.293 4.523 1.00 0.11 H new ATOM 0 HA TYR A 9 70.377 12.476 6.964 1.00 0.12 H new ATOM 0 HB2 TYR A 9 69.175 14.003 8.405 1.00 0.15 H new ATOM 0 HB3 TYR A 9 69.937 14.963 7.153 1.00 0.15 H new ATOM 0 HD1 TYR A 9 68.579 15.848 5.228 1.00 0.16 H new ATOM 0 HD2 TYR A 9 66.775 13.784 8.549 1.00 0.18 H new ATOM 0 HE1 TYR A 9 66.352 16.745 4.574 1.00 0.19 H new ATOM 0 HE2 TYR A 9 64.548 14.685 7.903 1.00 0.21 H new ATOM 0 HH TYR A 9 63.388 15.953 6.461 1.00 0.27 H new ATOM 144 N ASN A 10 68.095 11.414 7.843 1.00 0.13 N ATOM 145 CA ASN A 10 67.005 10.404 8.032 1.00 0.14 C ATOM 146 C ASN A 10 67.224 9.230 7.073 1.00 0.13 C ATOM 147 O ASN A 10 66.288 8.651 6.558 1.00 0.14 O ATOM 148 CB ASN A 10 65.626 11.039 7.778 1.00 0.16 C ATOM 149 CG ASN A 10 65.179 11.823 9.016 1.00 0.18 C ATOM 150 OD1 ASN A 10 65.834 11.792 10.039 1.00 0.54 O ATOM 151 ND2 ASN A 10 64.080 12.523 8.969 1.00 0.49 N ATOM 0 H ASN A 10 68.619 11.642 8.688 1.00 0.13 H new ATOM 0 HA ASN A 10 67.033 10.045 9.061 1.00 0.14 H new ATOM 0 HB2 ASN A 10 65.674 11.702 6.914 1.00 0.16 H new ATOM 0 HB3 ASN A 10 64.896 10.264 7.544 1.00 0.16 H new ATOM 0 HD21 ASN A 10 63.771 13.043 9.790 1.00 0.49 H new ATOM 0 HD22 ASN A 10 63.529 12.550 8.111 1.00 0.49 H new ATOM 158 N SER A 11 68.457 8.875 6.833 1.00 0.13 N ATOM 159 CA SER A 11 68.743 7.736 5.917 1.00 0.13 C ATOM 160 C SER A 11 68.266 6.431 6.552 1.00 0.13 C ATOM 161 O SER A 11 68.332 6.240 7.750 1.00 0.13 O ATOM 162 CB SER A 11 70.247 7.651 5.653 1.00 0.14 C ATOM 163 OG SER A 11 70.644 8.755 4.850 1.00 0.19 O ATOM 0 H SER A 11 69.280 9.326 7.233 1.00 0.13 H new ATOM 0 HA SER A 11 68.217 7.895 4.976 1.00 0.13 H new ATOM 0 HB2 SER A 11 70.795 7.656 6.595 1.00 0.14 H new ATOM 0 HB3 SER A 11 70.488 6.715 5.150 1.00 0.14 H new ATOM 0 HG SER A 11 71.622 8.796 4.811 1.00 0.19 H new ATOM 169 N ALA A 12 67.776 5.537 5.738 1.00 0.13 N ATOM 170 CA ALA A 12 67.268 4.234 6.267 1.00 0.13 C ATOM 171 C ALA A 12 67.571 3.120 5.259 1.00 0.13 C ATOM 172 O ALA A 12 67.702 3.357 4.074 1.00 0.13 O ATOM 173 CB ALA A 12 65.751 4.356 6.473 1.00 0.14 C ATOM 0 H ALA A 12 67.704 5.650 4.727 1.00 0.13 H new ATOM 0 HA ALA A 12 67.753 3.993 7.213 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.359 3.415 6.859 1.00 0.14 H new ATOM 0 HB2 ALA A 12 65.544 5.155 7.185 1.00 0.14 H new ATOM 0 HB3 ALA A 12 65.272 4.585 5.521 1.00 0.14 H new ATOM 179 N ILE A 13 67.679 1.902 5.735 1.00 0.12 N ATOM 180 CA ILE A 13 67.962 0.747 4.827 1.00 0.12 C ATOM 181 C ILE A 13 67.031 -0.414 5.165 1.00 0.13 C ATOM 182 O ILE A 13 66.850 -0.776 6.310 1.00 0.14 O ATOM 183 CB ILE A 13 69.436 0.302 4.956 1.00 0.12 C ATOM 184 CG1 ILE A 13 70.328 1.353 4.270 1.00 0.13 C ATOM 185 CG2 ILE A 13 69.629 -1.074 4.281 1.00 0.12 C ATOM 186 CD1 ILE A 13 71.800 1.203 4.687 1.00 0.14 C ATOM 0 H ILE A 13 67.582 1.658 6.721 1.00 0.12 H new ATOM 0 HA ILE A 13 67.787 1.060 3.797 1.00 0.12 H new ATOM 0 HB ILE A 13 69.708 0.215 6.008 1.00 0.12 H new ATOM 0 HG12 ILE A 13 70.243 1.253 3.188 1.00 0.13 H new ATOM 0 HG13 ILE A 13 69.977 2.353 4.526 1.00 0.13 H new ATOM 0 HG21 ILE A 13 70.670 -1.383 4.375 1.00 0.12 H new ATOM 0 HG22 ILE A 13 68.987 -1.810 4.765 1.00 0.12 H new ATOM 0 HG23 ILE A 13 69.366 -1.002 3.226 1.00 0.12 H new ATOM 0 HD11 ILE A 13 72.400 1.961 4.183 1.00 0.14 H new ATOM 0 HD12 ILE A 13 71.887 1.329 5.766 1.00 0.14 H new ATOM 0 HD13 ILE A 13 72.158 0.212 4.407 1.00 0.14 H new ATOM 198 N GLN A 14 66.460 -1.010 4.153 1.00 0.13 N ATOM 199 CA GLN A 14 65.554 -2.176 4.363 1.00 0.16 C ATOM 200 C GLN A 14 65.918 -3.227 3.321 1.00 0.16 C ATOM 201 O GLN A 14 65.735 -3.033 2.136 1.00 0.22 O ATOM 202 CB GLN A 14 64.097 -1.752 4.173 1.00 0.19 C ATOM 203 CG GLN A 14 63.191 -2.956 4.431 1.00 0.24 C ATOM 204 CD GLN A 14 61.732 -2.504 4.486 1.00 1.04 C ATOM 205 OE1 GLN A 14 61.449 -1.323 4.476 1.00 1.68 O ATOM 206 NE2 GLN A 14 60.789 -3.401 4.563 1.00 1.61 N ATOM 0 H GLN A 14 66.584 -0.735 3.179 1.00 0.13 H new ATOM 0 HA GLN A 14 65.667 -2.569 5.373 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.849 -0.940 4.857 1.00 0.19 H new ATOM 0 HB3 GLN A 14 63.943 -1.375 3.162 1.00 0.19 H new ATOM 0 HG2 GLN A 14 63.322 -3.697 3.642 1.00 0.24 H new ATOM 0 HG3 GLN A 14 63.468 -3.437 5.369 1.00 0.24 H new ATOM 0 HE21 GLN A 14 61.028 -4.393 4.571 1.00 1.61 H new ATOM 0 HE22 GLN A 14 59.812 -3.111 4.615 1.00 1.61 H new ATOM 215 N GLY A 15 66.461 -4.321 3.747 1.00 0.15 N ATOM 216 CA GLY A 15 66.868 -5.349 2.758 1.00 0.15 C ATOM 217 C GLY A 15 68.072 -4.806 1.983 1.00 0.13 C ATOM 218 O GLY A 15 69.101 -4.515 2.558 1.00 0.13 O ATOM 0 H GLY A 15 66.641 -4.550 4.725 1.00 0.15 H new ATOM 0 HA2 GLY A 15 67.127 -6.281 3.261 1.00 0.15 H new ATOM 0 HA3 GLY A 15 66.045 -5.571 2.078 1.00 0.15 H new ATOM 222 N SER A 16 67.944 -4.635 0.689 1.00 0.13 N ATOM 223 CA SER A 16 69.074 -4.077 -0.129 1.00 0.13 C ATOM 224 C SER A 16 68.706 -2.675 -0.642 1.00 0.13 C ATOM 225 O SER A 16 69.431 -2.084 -1.418 1.00 0.14 O ATOM 226 CB SER A 16 69.325 -4.995 -1.326 1.00 0.16 C ATOM 227 OG SER A 16 68.180 -4.993 -2.169 1.00 0.20 O ATOM 0 H SER A 16 67.102 -4.858 0.159 1.00 0.13 H new ATOM 0 HA SER A 16 69.969 -4.012 0.490 1.00 0.13 H new ATOM 0 HB2 SER A 16 70.200 -4.657 -1.881 1.00 0.16 H new ATOM 0 HB3 SER A 16 69.537 -6.008 -0.984 1.00 0.16 H new ATOM 0 HG SER A 16 68.377 -4.490 -2.987 1.00 0.20 H new ATOM 233 N VAL A 17 67.568 -2.150 -0.249 1.00 0.14 N ATOM 234 CA VAL A 17 67.139 -0.802 -0.761 1.00 0.14 C ATOM 235 C VAL A 17 67.580 0.341 0.169 1.00 0.13 C ATOM 236 O VAL A 17 67.225 0.398 1.330 1.00 0.13 O ATOM 237 CB VAL A 17 65.604 -0.789 -0.901 1.00 0.17 C ATOM 238 CG1 VAL A 17 65.131 0.626 -1.281 1.00 0.17 C ATOM 239 CG2 VAL A 17 65.165 -1.817 -1.981 1.00 0.20 C ATOM 0 H VAL A 17 66.919 -2.592 0.401 1.00 0.14 H new ATOM 0 HA VAL A 17 67.618 -0.639 -1.726 1.00 0.14 H new ATOM 0 HB VAL A 17 65.150 -1.068 0.050 1.00 0.17 H new ATOM 0 HG11 VAL A 17 64.045 0.633 -1.379 1.00 0.17 H new ATOM 0 HG12 VAL A 17 65.429 1.330 -0.504 1.00 0.17 H new ATOM 0 HG13 VAL A 17 65.583 0.918 -2.229 1.00 0.17 H new ATOM 0 HG21 VAL A 17 64.079 -1.804 -2.076 1.00 0.20 H new ATOM 0 HG22 VAL A 17 65.616 -1.554 -2.938 1.00 0.20 H new ATOM 0 HG23 VAL A 17 65.491 -2.815 -1.688 1.00 0.20 H new ATOM 249 N LEU A 18 68.309 1.278 -0.372 1.00 0.13 N ATOM 250 CA LEU A 18 68.735 2.473 0.421 1.00 0.13 C ATOM 251 C LEU A 18 67.707 3.577 0.165 1.00 0.12 C ATOM 252 O LEU A 18 67.401 3.900 -0.963 1.00 0.13 O ATOM 253 CB LEU A 18 70.129 2.933 -0.035 1.00 0.14 C ATOM 254 CG LEU A 18 70.497 4.297 0.574 1.00 0.15 C ATOM 255 CD1 LEU A 18 70.500 4.209 2.104 1.00 0.18 C ATOM 256 CD2 LEU A 18 71.894 4.697 0.089 1.00 0.19 C ATOM 0 H LEU A 18 68.632 1.269 -1.339 1.00 0.13 H new ATOM 0 HA LEU A 18 68.788 2.236 1.484 1.00 0.13 H new ATOM 0 HB2 LEU A 18 70.872 2.191 0.256 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.154 3.000 -1.123 1.00 0.14 H new ATOM 0 HG LEU A 18 69.763 5.040 0.263 1.00 0.15 H new ATOM 0 HD11 LEU A 18 70.762 5.180 2.524 1.00 0.18 H new ATOM 0 HD12 LEU A 18 69.510 3.918 2.454 1.00 0.18 H new ATOM 0 HD13 LEU A 18 71.231 3.466 2.424 1.00 0.18 H new ATOM 0 HD21 LEU A 18 72.164 5.663 0.515 1.00 0.19 H new ATOM 0 HD22 LEU A 18 72.618 3.946 0.405 1.00 0.19 H new ATOM 0 HD23 LEU A 18 71.895 4.767 -0.999 1.00 0.19 H new ATOM 268 N THR A 19 67.176 4.159 1.213 1.00 0.13 N ATOM 269 CA THR A 19 66.157 5.247 1.059 1.00 0.13 C ATOM 270 C THR A 19 66.594 6.457 1.890 1.00 0.13 C ATOM 271 O THR A 19 66.938 6.326 3.048 1.00 0.14 O ATOM 272 CB THR A 19 64.811 4.707 1.568 1.00 0.15 C ATOM 273 OG1 THR A 19 64.435 3.594 0.770 1.00 0.16 O ATOM 274 CG2 THR A 19 63.686 5.766 1.507 1.00 0.16 C ATOM 0 H THR A 19 67.407 3.925 2.179 1.00 0.13 H new ATOM 0 HA THR A 19 66.061 5.553 0.017 1.00 0.13 H new ATOM 0 HB THR A 19 64.942 4.424 2.613 1.00 0.15 H new ATOM 0 HG1 THR A 19 64.044 3.911 -0.071 1.00 0.16 H new ATOM 0 HG21 THR A 19 62.757 5.332 1.878 1.00 0.16 H new ATOM 0 HG22 THR A 19 63.958 6.622 2.124 1.00 0.16 H new ATOM 0 HG23 THR A 19 63.548 6.091 0.476 1.00 0.16 H new ATOM 282 N SER A 20 66.599 7.627 1.327 1.00 0.12 N ATOM 283 CA SER A 20 67.041 8.800 2.144 1.00 0.12 C ATOM 284 C SER A 20 66.483 10.108 1.578 1.00 0.11 C ATOM 285 O SER A 20 66.163 10.213 0.410 1.00 0.11 O ATOM 286 CB SER A 20 68.570 8.861 2.129 1.00 0.14 C ATOM 287 OG SER A 20 69.015 9.775 3.122 1.00 0.20 O ATOM 0 H SER A 20 66.326 7.827 0.365 1.00 0.12 H new ATOM 0 HA SER A 20 66.668 8.679 3.161 1.00 0.12 H new ATOM 0 HB2 SER A 20 68.986 7.871 2.317 1.00 0.14 H new ATOM 0 HB3 SER A 20 68.923 9.174 1.146 1.00 0.14 H new ATOM 0 HG SER A 20 69.839 9.437 3.532 1.00 0.20 H new ATOM 293 N THR A 21 66.395 11.115 2.411 1.00 0.11 N ATOM 294 CA THR A 21 65.891 12.445 1.943 1.00 0.11 C ATOM 295 C THR A 21 67.115 13.316 1.661 1.00 0.10 C ATOM 296 O THR A 21 67.943 13.517 2.528 1.00 0.11 O ATOM 297 CB THR A 21 65.029 13.079 3.041 1.00 0.12 C ATOM 298 OG1 THR A 21 63.902 12.249 3.284 1.00 0.14 O ATOM 299 CG2 THR A 21 64.555 14.468 2.605 1.00 0.13 C ATOM 0 H THR A 21 66.651 11.074 3.398 1.00 0.11 H new ATOM 0 HA THR A 21 65.280 12.344 1.046 1.00 0.11 H new ATOM 0 HB THR A 21 65.622 13.178 3.950 1.00 0.12 H new ATOM 0 HG1 THR A 21 63.347 12.648 3.987 1.00 0.14 H new ATOM 0 HG21 THR A 21 63.944 14.908 3.393 1.00 0.13 H new ATOM 0 HG22 THR A 21 65.419 15.105 2.418 1.00 0.13 H new ATOM 0 HG23 THR A 21 63.964 14.381 1.693 1.00 0.13 H new ATOM 307 N CYS A 22 67.249 13.821 0.455 1.00 0.10 N ATOM 308 CA CYS A 22 68.443 14.664 0.112 1.00 0.11 C ATOM 309 C CYS A 22 68.020 16.064 -0.322 1.00 0.11 C ATOM 310 O CYS A 22 66.927 16.278 -0.812 1.00 0.12 O ATOM 311 CB CYS A 22 69.217 13.990 -1.020 1.00 0.11 C ATOM 312 SG CYS A 22 70.005 12.487 -0.384 1.00 0.11 S ATOM 0 H CYS A 22 66.584 13.686 -0.306 1.00 0.10 H new ATOM 0 HA CYS A 22 69.072 14.758 0.997 1.00 0.11 H new ATOM 0 HB2 CYS A 22 68.544 13.743 -1.841 1.00 0.11 H new ATOM 0 HB3 CYS A 22 69.970 14.670 -1.418 1.00 0.11 H new ATOM 317 N GLU A 23 68.892 17.019 -0.144 1.00 0.12 N ATOM 318 CA GLU A 23 68.571 18.413 -0.541 1.00 0.13 C ATOM 319 C GLU A 23 68.874 18.633 -2.021 1.00 0.13 C ATOM 320 O GLU A 23 69.853 18.157 -2.561 1.00 0.15 O ATOM 321 CB GLU A 23 69.387 19.402 0.293 1.00 0.15 C ATOM 322 CG GLU A 23 68.906 20.821 -0.013 1.00 0.17 C ATOM 323 CD GLU A 23 69.673 21.824 0.852 1.00 0.23 C ATOM 324 OE1 GLU A 23 70.394 21.386 1.733 1.00 0.27 O ATOM 325 OE2 GLU A 23 69.524 23.012 0.619 1.00 0.26 O ATOM 0 H GLU A 23 69.818 16.889 0.262 1.00 0.12 H new ATOM 0 HA GLU A 23 67.508 18.579 -0.365 1.00 0.13 H new ATOM 0 HB2 GLU A 23 69.271 19.185 1.355 1.00 0.15 H new ATOM 0 HB3 GLU A 23 70.448 19.305 0.062 1.00 0.15 H new ATOM 0 HG2 GLU A 23 69.057 21.047 -1.069 1.00 0.17 H new ATOM 0 HG3 GLU A 23 67.836 20.902 0.181 1.00 0.17 H new ATOM 332 N ARG A 24 68.025 19.381 -2.659 1.00 0.14 N ATOM 333 CA ARG A 24 68.192 19.710 -4.099 1.00 0.16 C ATOM 334 C ARG A 24 69.182 20.851 -4.266 1.00 0.18 C ATOM 335 O ARG A 24 69.372 21.669 -3.387 1.00 0.17 O ATOM 336 CB ARG A 24 66.854 20.187 -4.654 1.00 0.19 C ATOM 337 CG ARG A 24 65.869 19.020 -4.734 1.00 0.28 C ATOM 338 CD ARG A 24 64.539 19.515 -5.322 1.00 0.35 C ATOM 339 NE ARG A 24 63.884 18.387 -6.034 1.00 1.03 N ATOM 340 CZ ARG A 24 62.667 18.514 -6.478 1.00 1.55 C ATOM 341 NH1 ARG A 24 62.023 19.634 -6.297 1.00 1.86 N ATOM 342 NH2 ARG A 24 62.099 17.527 -7.112 1.00 2.41 N ATOM 0 H ARG A 24 67.196 19.791 -2.229 1.00 0.14 H new ATOM 0 HA ARG A 24 68.549 18.822 -4.621 1.00 0.16 H new ATOM 0 HB2 ARG A 24 66.447 20.973 -4.017 1.00 0.19 H new ATOM 0 HB3 ARG A 24 66.996 20.621 -5.644 1.00 0.19 H new ATOM 0 HG2 ARG A 24 66.280 18.224 -5.355 1.00 0.28 H new ATOM 0 HG3 ARG A 24 65.706 18.598 -3.742 1.00 0.28 H new ATOM 0 HD2 ARG A 24 63.891 19.889 -4.529 1.00 0.35 H new ATOM 0 HD3 ARG A 24 64.714 20.344 -6.008 1.00 0.35 H new ATOM 0 HE ARG A 24 64.389 17.512 -6.175 1.00 1.03 H new ATOM 0 HH11 ARG A 24 62.473 20.408 -5.808 1.00 1.86 H new ATOM 0 HH12 ARG A 24 61.069 19.736 -6.644 1.00 1.86 H new ATOM 0 HH21 ARG A 24 62.608 16.656 -7.260 1.00 2.41 H new ATOM 0 HH22 ARG A 24 61.145 17.626 -7.460 1.00 2.41 H new ATOM 356 N THR A 25 69.804 20.915 -5.408 1.00 0.23 N ATOM 357 CA THR A 25 70.770 22.004 -5.670 1.00 0.26 C ATOM 358 C THR A 25 70.031 23.334 -5.559 1.00 0.25 C ATOM 359 O THR A 25 70.564 24.316 -5.082 1.00 0.25 O ATOM 360 CB THR A 25 71.341 21.855 -7.090 1.00 0.32 C ATOM 361 OG1 THR A 25 71.650 20.488 -7.323 1.00 0.89 O ATOM 362 CG2 THR A 25 72.626 22.692 -7.252 1.00 1.11 C ATOM 0 H THR A 25 69.681 20.253 -6.174 1.00 0.23 H new ATOM 0 HA THR A 25 71.588 21.963 -4.951 1.00 0.26 H new ATOM 0 HB THR A 25 70.598 22.208 -7.805 1.00 0.32 H new ATOM 0 HG1 THR A 25 72.013 20.384 -8.227 1.00 0.89 H new ATOM 0 HG21 THR A 25 73.013 22.572 -8.264 1.00 1.11 H new ATOM 0 HG22 THR A 25 72.401 23.743 -7.072 1.00 1.11 H new ATOM 0 HG23 THR A 25 73.374 22.353 -6.535 1.00 1.11 H new ATOM 370 N ASN A 26 68.818 23.388 -6.060 1.00 0.24 N ATOM 371 CA ASN A 26 68.057 24.677 -6.045 1.00 0.24 C ATOM 372 C ASN A 26 67.275 24.807 -4.725 1.00 0.21 C ATOM 373 O ASN A 26 66.257 25.468 -4.664 1.00 0.21 O ATOM 374 CB ASN A 26 67.088 24.680 -7.257 1.00 0.27 C ATOM 375 CG ASN A 26 67.316 25.892 -8.159 1.00 1.44 C ATOM 376 OD1 ASN A 26 68.426 26.169 -8.562 1.00 2.19 O ATOM 377 ND2 ASN A 26 66.294 26.629 -8.498 1.00 2.36 N ATOM 0 H ASN A 26 68.325 22.598 -6.477 1.00 0.24 H new ATOM 0 HA ASN A 26 68.739 25.524 -6.117 1.00 0.24 H new ATOM 0 HB2 ASN A 26 67.224 23.766 -7.834 1.00 0.27 H new ATOM 0 HB3 ASN A 26 66.058 24.681 -6.900 1.00 0.27 H new ATOM 0 HD21 ASN A 26 66.428 27.439 -9.103 1.00 2.36 H new ATOM 0 HD22 ASN A 26 65.361 26.395 -8.158 1.00 2.36 H new ATOM 384 N GLY A 27 67.733 24.183 -3.678 1.00 0.20 N ATOM 385 CA GLY A 27 66.997 24.279 -2.385 1.00 0.20 C ATOM 386 C GLY A 27 65.728 23.427 -2.469 1.00 0.19 C ATOM 387 O GLY A 27 65.267 23.099 -3.542 1.00 0.21 O ATOM 0 H GLY A 27 68.579 23.614 -3.659 1.00 0.20 H new ATOM 0 HA2 GLY A 27 67.628 23.934 -1.566 1.00 0.20 H new ATOM 0 HA3 GLY A 27 66.740 25.317 -2.174 1.00 0.20 H new ATOM 391 N GLY A 28 65.216 22.993 -1.345 1.00 0.20 N ATOM 392 CA GLY A 28 64.027 22.075 -1.360 1.00 0.21 C ATOM 393 C GLY A 28 64.554 20.673 -1.034 1.00 0.20 C ATOM 394 O GLY A 28 65.735 20.423 -1.169 1.00 0.30 O ATOM 0 H GLY A 28 65.566 23.232 -0.417 1.00 0.20 H new ATOM 0 HA2 GLY A 28 63.285 22.390 -0.627 1.00 0.21 H new ATOM 0 HA3 GLY A 28 63.539 22.089 -2.334 1.00 0.21 H new ATOM 398 N TYR A 29 63.714 19.749 -0.624 1.00 0.16 N ATOM 399 CA TYR A 29 64.217 18.365 -0.312 1.00 0.15 C ATOM 400 C TYR A 29 63.589 17.346 -1.264 1.00 0.16 C ATOM 401 O TYR A 29 62.451 17.468 -1.669 1.00 0.19 O ATOM 402 CB TYR A 29 63.860 17.995 1.137 1.00 0.17 C ATOM 403 CG TYR A 29 64.843 18.653 2.084 1.00 0.17 C ATOM 404 CD1 TYR A 29 66.155 18.140 2.214 1.00 0.17 C ATOM 405 CD2 TYR A 29 64.452 19.780 2.832 1.00 0.21 C ATOM 406 CE1 TYR A 29 67.065 18.758 3.094 1.00 0.19 C ATOM 407 CE2 TYR A 29 65.365 20.395 3.709 1.00 0.23 C ATOM 408 CZ TYR A 29 66.670 19.884 3.841 1.00 0.23 C ATOM 409 OH TYR A 29 67.563 20.488 4.701 1.00 0.26 O ATOM 0 H TYR A 29 62.712 19.888 -0.492 1.00 0.16 H new ATOM 0 HA TYR A 29 65.300 18.351 -0.437 1.00 0.15 H new ATOM 0 HB2 TYR A 29 62.845 18.319 1.367 1.00 0.17 H new ATOM 0 HB3 TYR A 29 63.885 16.913 1.264 1.00 0.17 H new ATOM 0 HD1 TYR A 29 66.458 17.277 1.640 1.00 0.17 H new ATOM 0 HD2 TYR A 29 63.451 20.173 2.733 1.00 0.21 H new ATOM 0 HE1 TYR A 29 68.067 18.368 3.196 1.00 0.19 H new ATOM 0 HE2 TYR A 29 65.064 21.260 4.281 1.00 0.23 H new ATOM 0 HH TYR A 29 67.131 21.252 5.138 1.00 0.26 H new ATOM 419 N ASN A 30 64.342 16.331 -1.609 1.00 0.14 N ATOM 420 CA ASN A 30 63.840 15.266 -2.535 1.00 0.17 C ATOM 421 C ASN A 30 64.040 13.905 -1.867 1.00 0.13 C ATOM 422 O ASN A 30 64.975 13.711 -1.115 1.00 0.22 O ATOM 423 CB ASN A 30 64.635 15.322 -3.845 1.00 0.24 C ATOM 424 CG ASN A 30 64.087 14.282 -4.826 1.00 0.27 C ATOM 425 OD1 ASN A 30 62.940 13.889 -4.737 1.00 0.39 O ATOM 426 ND2 ASN A 30 64.864 13.817 -5.767 1.00 0.37 N ATOM 0 H ASN A 30 65.299 16.192 -1.283 1.00 0.14 H new ATOM 0 HA ASN A 30 62.783 15.419 -2.751 1.00 0.17 H new ATOM 0 HB2 ASN A 30 64.567 16.319 -4.281 1.00 0.24 H new ATOM 0 HB3 ASN A 30 65.690 15.131 -3.650 1.00 0.24 H new ATOM 0 HD21 ASN A 30 64.508 13.125 -6.426 1.00 0.37 H new ATOM 0 HD22 ASN A 30 65.827 14.146 -5.843 1.00 0.37 H new ATOM 433 N THR A 31 63.153 12.968 -2.118 1.00 0.17 N ATOM 434 CA THR A 31 63.256 11.612 -1.483 1.00 0.16 C ATOM 435 C THR A 31 63.386 10.565 -2.590 1.00 0.14 C ATOM 436 O THR A 31 62.621 10.562 -3.534 1.00 0.17 O ATOM 437 CB THR A 31 61.966 11.402 -0.688 1.00 0.29 C ATOM 438 OG1 THR A 31 61.863 12.423 0.292 1.00 0.48 O ATOM 439 CG2 THR A 31 61.916 10.044 0.015 1.00 0.35 C ATOM 0 H THR A 31 62.355 13.086 -2.742 1.00 0.17 H new ATOM 0 HA THR A 31 64.122 11.527 -0.826 1.00 0.16 H new ATOM 0 HB THR A 31 61.138 11.437 -1.396 1.00 0.29 H new ATOM 0 HG1 THR A 31 61.039 12.300 0.807 1.00 0.48 H new ATOM 0 HG21 THR A 31 60.978 9.952 0.563 1.00 0.35 H new ATOM 0 HG22 THR A 31 61.983 9.248 -0.726 1.00 0.35 H new ATOM 0 HG23 THR A 31 62.752 9.963 0.710 1.00 0.35 H new ATOM 447 N SER A 32 64.343 9.682 -2.507 1.00 0.13 N ATOM 448 CA SER A 32 64.496 8.667 -3.590 1.00 0.16 C ATOM 449 C SER A 32 65.113 7.382 -3.041 1.00 0.16 C ATOM 450 O SER A 32 65.613 7.326 -1.934 1.00 0.18 O ATOM 451 CB SER A 32 65.389 9.231 -4.695 1.00 0.21 C ATOM 452 OG SER A 32 66.700 9.428 -4.183 1.00 0.25 O ATOM 0 H SER A 32 65.019 9.618 -1.746 1.00 0.13 H new ATOM 0 HA SER A 32 63.510 8.436 -3.993 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.416 8.546 -5.542 1.00 0.21 H new ATOM 0 HB3 SER A 32 64.983 10.174 -5.061 1.00 0.21 H new ATOM 0 HG SER A 32 67.066 10.267 -4.534 1.00 0.25 H new ATOM 458 N SER A 33 65.063 6.341 -3.828 1.00 0.15 N ATOM 459 CA SER A 33 65.619 5.025 -3.404 1.00 0.15 C ATOM 460 C SER A 33 66.367 4.379 -4.570 1.00 0.14 C ATOM 461 O SER A 33 66.031 4.563 -5.723 1.00 0.14 O ATOM 462 CB SER A 33 64.471 4.112 -2.963 1.00 0.17 C ATOM 463 OG SER A 33 64.025 4.514 -1.674 1.00 0.23 O ATOM 0 H SER A 33 64.653 6.348 -4.762 1.00 0.15 H new ATOM 0 HA SER A 33 66.311 5.173 -2.575 1.00 0.15 H new ATOM 0 HB2 SER A 33 63.651 4.167 -3.679 1.00 0.17 H new ATOM 0 HB3 SER A 33 64.804 3.074 -2.939 1.00 0.17 H new ATOM 0 HG SER A 33 64.469 5.350 -1.420 1.00 0.23 H new ATOM 469 N ILE A 34 67.383 3.616 -4.267 1.00 0.13 N ATOM 470 CA ILE A 34 68.178 2.941 -5.335 1.00 0.13 C ATOM 471 C ILE A 34 68.589 1.550 -4.847 1.00 0.12 C ATOM 472 O ILE A 34 68.932 1.362 -3.697 1.00 0.14 O ATOM 473 CB ILE A 34 69.423 3.785 -5.631 1.00 0.16 C ATOM 474 CG1 ILE A 34 70.126 3.246 -6.886 1.00 0.20 C ATOM 475 CG2 ILE A 34 70.383 3.744 -4.434 1.00 0.19 C ATOM 476 CD1 ILE A 34 71.210 4.231 -7.335 1.00 0.24 C ATOM 0 H ILE A 34 67.700 3.429 -3.315 1.00 0.13 H new ATOM 0 HA ILE A 34 67.586 2.840 -6.244 1.00 0.13 H new ATOM 0 HB ILE A 34 69.121 4.818 -5.805 1.00 0.16 H new ATOM 0 HG12 ILE A 34 70.570 2.273 -6.676 1.00 0.20 H new ATOM 0 HG13 ILE A 34 69.400 3.099 -7.686 1.00 0.20 H new ATOM 0 HG21 ILE A 34 71.264 4.346 -4.654 1.00 0.19 H new ATOM 0 HG22 ILE A 34 69.882 4.142 -3.552 1.00 0.19 H new ATOM 0 HG23 ILE A 34 70.685 2.714 -4.245 1.00 0.19 H new ATOM 0 HD11 ILE A 34 71.706 3.845 -8.225 1.00 0.24 H new ATOM 0 HD12 ILE A 34 70.754 5.195 -7.563 1.00 0.24 H new ATOM 0 HD13 ILE A 34 71.942 4.355 -6.537 1.00 0.24 H new ATOM 488 N ASP A 35 68.551 0.568 -5.707 1.00 0.13 N ATOM 489 CA ASP A 35 68.929 -0.811 -5.279 1.00 0.13 C ATOM 490 C ASP A 35 70.455 -0.947 -5.293 1.00 0.11 C ATOM 491 O ASP A 35 71.080 -0.868 -6.331 1.00 0.12 O ATOM 492 CB ASP A 35 68.317 -1.829 -6.248 1.00 0.16 C ATOM 493 CG ASP A 35 68.460 -3.237 -5.663 1.00 0.18 C ATOM 494 OD1 ASP A 35 69.162 -3.378 -4.675 1.00 0.19 O ATOM 495 OD2 ASP A 35 67.870 -4.150 -6.218 1.00 0.22 O ATOM 0 H ASP A 35 68.275 0.660 -6.685 1.00 0.13 H new ATOM 0 HA ASP A 35 68.556 -0.997 -4.272 1.00 0.13 H new ATOM 0 HB2 ASP A 35 67.265 -1.599 -6.418 1.00 0.16 H new ATOM 0 HB3 ASP A 35 68.816 -1.773 -7.215 1.00 0.16 H new ATOM 500 N LEU A 36 71.064 -1.175 -4.157 1.00 0.11 N ATOM 501 CA LEU A 36 72.549 -1.333 -4.135 1.00 0.12 C ATOM 502 C LEU A 36 72.903 -2.751 -4.581 1.00 0.12 C ATOM 503 O LEU A 36 74.058 -3.115 -4.670 1.00 0.12 O ATOM 504 CB LEU A 36 73.105 -1.125 -2.722 1.00 0.13 C ATOM 505 CG LEU A 36 72.672 0.225 -2.137 1.00 0.13 C ATOM 506 CD1 LEU A 36 72.904 0.207 -0.621 1.00 0.15 C ATOM 507 CD2 LEU A 36 73.516 1.352 -2.740 1.00 0.15 C ATOM 0 H LEU A 36 70.602 -1.258 -3.252 1.00 0.11 H new ATOM 0 HA LEU A 36 72.983 -0.588 -4.802 1.00 0.12 H new ATOM 0 HB2 LEU A 36 72.761 -1.930 -2.073 1.00 0.13 H new ATOM 0 HB3 LEU A 36 74.193 -1.179 -2.747 1.00 0.13 H new ATOM 0 HG LEU A 36 71.619 0.392 -2.365 1.00 0.13 H new ATOM 0 HD11 LEU A 36 72.599 1.163 -0.195 1.00 0.15 H new ATOM 0 HD12 LEU A 36 72.316 -0.594 -0.172 1.00 0.15 H new ATOM 0 HD13 LEU A 36 73.961 0.039 -0.417 1.00 0.15 H new ATOM 0 HD21 LEU A 36 73.202 2.307 -2.319 1.00 0.15 H new ATOM 0 HD22 LEU A 36 74.568 1.182 -2.509 1.00 0.15 H new ATOM 0 HD23 LEU A 36 73.380 1.370 -3.821 1.00 0.15 H new ATOM 519 N ASN A 37 71.926 -3.568 -4.835 1.00 0.12 N ATOM 520 CA ASN A 37 72.226 -4.966 -5.239 1.00 0.12 C ATOM 521 C ASN A 37 73.064 -4.968 -6.522 1.00 0.11 C ATOM 522 O ASN A 37 73.943 -5.788 -6.695 1.00 0.12 O ATOM 523 CB ASN A 37 70.912 -5.714 -5.480 1.00 0.14 C ATOM 524 CG ASN A 37 71.215 -7.163 -5.851 1.00 0.14 C ATOM 525 OD1 ASN A 37 71.914 -7.424 -6.811 1.00 0.23 O ATOM 526 ND2 ASN A 37 70.715 -8.122 -5.123 1.00 0.16 N ATOM 0 H ASN A 37 70.935 -3.331 -4.781 1.00 0.12 H new ATOM 0 HA ASN A 37 72.789 -5.460 -4.447 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.291 -5.678 -4.585 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.348 -5.233 -6.279 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.910 -9.095 -5.358 1.00 0.16 H new ATOM 0 HD22 ASN A 37 70.129 -7.899 -4.318 1.00 0.16 H new ATOM 533 N SER A 38 72.780 -4.083 -7.433 1.00 0.11 N ATOM 534 CA SER A 38 73.536 -4.050 -8.720 1.00 0.12 C ATOM 535 C SER A 38 74.968 -3.514 -8.542 1.00 0.11 C ATOM 536 O SER A 38 75.667 -3.328 -9.517 1.00 0.13 O ATOM 537 CB SER A 38 72.792 -3.152 -9.707 1.00 0.13 C ATOM 538 OG SER A 38 72.837 -1.809 -9.246 1.00 0.16 O ATOM 0 H SER A 38 72.052 -3.374 -7.344 1.00 0.11 H new ATOM 0 HA SER A 38 73.607 -5.072 -9.091 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.246 -3.225 -10.696 1.00 0.13 H new ATOM 0 HB3 SER A 38 71.757 -3.480 -9.806 1.00 0.13 H new ATOM 0 HG SER A 38 72.362 -1.230 -9.878 1.00 0.16 H new ATOM 544 N VAL A 39 75.415 -3.221 -7.337 1.00 0.11 N ATOM 545 CA VAL A 39 76.813 -2.672 -7.178 1.00 0.12 C ATOM 546 C VAL A 39 77.572 -3.332 -6.006 1.00 0.12 C ATOM 547 O VAL A 39 78.743 -3.068 -5.821 1.00 0.14 O ATOM 548 CB VAL A 39 76.773 -1.131 -6.984 1.00 0.13 C ATOM 549 CG1 VAL A 39 76.533 -0.440 -8.338 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.657 -0.717 -5.991 1.00 0.14 C ATOM 0 H VAL A 39 74.887 -3.334 -6.472 1.00 0.11 H new ATOM 0 HA VAL A 39 77.354 -2.909 -8.094 1.00 0.12 H new ATOM 0 HB VAL A 39 77.733 -0.820 -6.573 1.00 0.13 H new ATOM 0 HG11 VAL A 39 76.506 0.640 -8.195 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.340 -0.695 -9.025 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.583 -0.775 -8.754 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.655 0.367 -5.877 1.00 0.14 H new ATOM 0 HG22 VAL A 39 74.690 -1.043 -6.374 1.00 0.14 H new ATOM 0 HG23 VAL A 39 75.840 -1.183 -5.023 1.00 0.14 H new ATOM 560 N ILE A 40 76.943 -4.187 -5.226 1.00 0.11 N ATOM 561 CA ILE A 40 77.677 -4.845 -4.074 1.00 0.12 C ATOM 562 C ILE A 40 77.819 -6.367 -4.296 1.00 0.11 C ATOM 563 O ILE A 40 76.877 -7.055 -4.636 1.00 0.14 O ATOM 564 CB ILE A 40 76.925 -4.596 -2.753 1.00 0.19 C ATOM 565 CG1 ILE A 40 76.832 -3.081 -2.508 1.00 0.30 C ATOM 566 CG2 ILE A 40 77.674 -5.274 -1.561 1.00 0.17 C ATOM 567 CD1 ILE A 40 75.849 -2.810 -1.362 1.00 0.43 C ATOM 0 H ILE A 40 75.965 -4.459 -5.330 1.00 0.11 H new ATOM 0 HA ILE A 40 78.673 -4.404 -4.022 1.00 0.12 H new ATOM 0 HB ILE A 40 75.926 -5.025 -2.824 1.00 0.19 H new ATOM 0 HG12 ILE A 40 77.815 -2.680 -2.261 1.00 0.30 H new ATOM 0 HG13 ILE A 40 76.500 -2.575 -3.414 1.00 0.30 H new ATOM 0 HG21 ILE A 40 77.129 -5.088 -0.636 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.738 -6.348 -1.735 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.679 -4.860 -1.480 1.00 0.17 H new ATOM 0 HD11 ILE A 40 75.782 -1.736 -1.187 1.00 0.43 H new ATOM 0 HD12 ILE A 40 74.865 -3.197 -1.627 1.00 0.43 H new ATOM 0 HD13 ILE A 40 76.201 -3.304 -0.456 1.00 0.43 H new ATOM 579 N GLU A 41 79.017 -6.883 -4.075 1.00 0.12 N ATOM 580 CA GLU A 41 79.293 -8.360 -4.228 1.00 0.15 C ATOM 581 C GLU A 41 79.830 -8.909 -2.901 1.00 0.13 C ATOM 582 O GLU A 41 80.422 -8.191 -2.127 1.00 0.13 O ATOM 583 CB GLU A 41 80.379 -8.582 -5.293 1.00 0.21 C ATOM 584 CG GLU A 41 80.766 -10.064 -5.349 1.00 0.20 C ATOM 585 CD GLU A 41 81.593 -10.328 -6.606 1.00 0.30 C ATOM 586 OE1 GLU A 41 81.803 -9.391 -7.357 1.00 0.32 O ATOM 587 OE2 GLU A 41 82.003 -11.461 -6.796 1.00 0.41 O ATOM 0 H GLU A 41 79.827 -6.333 -3.790 1.00 0.12 H new ATOM 0 HA GLU A 41 78.370 -8.862 -4.517 1.00 0.15 H new ATOM 0 HB2 GLU A 41 80.016 -8.256 -6.268 1.00 0.21 H new ATOM 0 HB3 GLU A 41 81.256 -7.978 -5.061 1.00 0.21 H new ATOM 0 HG2 GLU A 41 81.337 -10.335 -4.461 1.00 0.20 H new ATOM 0 HG3 GLU A 41 79.870 -10.685 -5.353 1.00 0.20 H new ATOM 594 N ASN A 42 79.679 -10.194 -2.655 1.00 0.14 N ATOM 595 CA ASN A 42 80.227 -10.819 -1.412 1.00 0.13 C ATOM 596 C ASN A 42 81.513 -11.556 -1.802 1.00 0.13 C ATOM 597 O ASN A 42 81.479 -12.475 -2.595 1.00 0.14 O ATOM 598 CB ASN A 42 79.209 -11.823 -0.859 1.00 0.15 C ATOM 599 CG ASN A 42 79.763 -12.465 0.415 1.00 0.16 C ATOM 600 OD1 ASN A 42 80.758 -12.018 0.953 1.00 0.22 O ATOM 601 ND2 ASN A 42 79.157 -13.503 0.925 1.00 0.21 N ATOM 0 H ASN A 42 79.192 -10.841 -3.275 1.00 0.14 H new ATOM 0 HA ASN A 42 80.428 -10.065 -0.651 1.00 0.13 H new ATOM 0 HB2 ASN A 42 78.266 -11.320 -0.645 1.00 0.15 H new ATOM 0 HB3 ASN A 42 78.999 -12.591 -1.604 1.00 0.15 H new ATOM 0 HD21 ASN A 42 79.518 -13.938 1.774 1.00 0.21 H new ATOM 0 HD22 ASN A 42 78.322 -13.879 0.475 1.00 0.21 H new ATOM 608 N VAL A 43 82.646 -11.166 -1.261 1.00 0.13 N ATOM 609 CA VAL A 43 83.935 -11.855 -1.620 1.00 0.15 C ATOM 610 C VAL A 43 84.474 -12.637 -0.421 1.00 0.14 C ATOM 611 O VAL A 43 85.139 -12.113 0.449 1.00 0.17 O ATOM 612 CB VAL A 43 84.968 -10.810 -2.045 1.00 0.20 C ATOM 613 CG1 VAL A 43 86.314 -11.493 -2.298 1.00 0.28 C ATOM 614 CG2 VAL A 43 84.496 -10.132 -3.333 1.00 0.25 C ATOM 0 H VAL A 43 82.736 -10.404 -0.589 1.00 0.13 H new ATOM 0 HA VAL A 43 83.746 -12.548 -2.440 1.00 0.15 H new ATOM 0 HB VAL A 43 85.081 -10.067 -1.256 1.00 0.20 H new ATOM 0 HG11 VAL A 43 87.049 -10.747 -2.601 1.00 0.28 H new ATOM 0 HG12 VAL A 43 86.650 -11.984 -1.385 1.00 0.28 H new ATOM 0 HG13 VAL A 43 86.203 -12.235 -3.089 1.00 0.28 H new ATOM 0 HG21 VAL A 43 85.228 -9.386 -3.641 1.00 0.25 H new ATOM 0 HG22 VAL A 43 84.387 -10.879 -4.119 1.00 0.25 H new ATOM 0 HG23 VAL A 43 83.536 -9.647 -3.158 1.00 0.25 H new ATOM 624 N ASP A 44 84.210 -13.910 -0.413 1.00 0.14 N ATOM 625 CA ASP A 44 84.713 -14.805 0.664 1.00 0.14 C ATOM 626 C ASP A 44 84.444 -14.231 2.059 1.00 0.15 C ATOM 627 O ASP A 44 85.269 -14.357 2.942 1.00 0.18 O ATOM 628 CB ASP A 44 86.215 -15.022 0.472 1.00 0.17 C ATOM 629 CG ASP A 44 86.687 -16.174 1.363 1.00 0.21 C ATOM 630 OD1 ASP A 44 85.970 -16.512 2.290 1.00 0.18 O ATOM 631 OD2 ASP A 44 87.758 -16.698 1.103 1.00 0.30 O ATOM 0 H ASP A 44 83.652 -14.380 -1.126 1.00 0.14 H new ATOM 0 HA ASP A 44 84.181 -15.754 0.595 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.429 -15.246 -0.573 1.00 0.17 H new ATOM 0 HB3 ASP A 44 86.759 -14.111 0.721 1.00 0.17 H new ATOM 636 N GLY A 45 83.294 -13.631 2.281 1.00 0.15 N ATOM 637 CA GLY A 45 82.973 -13.092 3.650 1.00 0.20 C ATOM 638 C GLY A 45 82.837 -11.563 3.683 1.00 0.18 C ATOM 639 O GLY A 45 82.334 -11.035 4.654 1.00 0.21 O ATOM 0 H GLY A 45 82.567 -13.491 1.579 1.00 0.15 H new ATOM 0 HA2 GLY A 45 82.043 -13.540 4.001 1.00 0.20 H new ATOM 0 HA3 GLY A 45 83.756 -13.396 4.345 1.00 0.20 H new ATOM 643 N SER A 46 83.309 -10.825 2.698 1.00 0.16 N ATOM 644 CA SER A 46 83.235 -9.321 2.770 1.00 0.16 C ATOM 645 C SER A 46 82.457 -8.721 1.597 1.00 0.13 C ATOM 646 O SER A 46 82.555 -9.165 0.470 1.00 0.14 O ATOM 647 CB SER A 46 84.660 -8.765 2.749 1.00 0.19 C ATOM 648 OG SER A 46 84.639 -7.408 3.171 1.00 1.39 O ATOM 0 H SER A 46 83.740 -11.196 1.851 1.00 0.16 H new ATOM 0 HA SER A 46 82.712 -9.053 3.688 1.00 0.16 H new ATOM 0 HB2 SER A 46 85.302 -9.352 3.405 1.00 0.19 H new ATOM 0 HB3 SER A 46 85.077 -8.840 1.745 1.00 0.19 H new ATOM 0 HG SER A 46 85.550 -7.048 3.161 1.00 1.39 H new ATOM 654 N LEU A 47 81.719 -7.674 1.862 1.00 0.13 N ATOM 655 CA LEU A 47 80.951 -6.976 0.792 1.00 0.12 C ATOM 656 C LEU A 47 81.898 -6.058 0.003 1.00 0.12 C ATOM 657 O LEU A 47 82.643 -5.285 0.574 1.00 0.14 O ATOM 658 CB LEU A 47 79.844 -6.130 1.430 1.00 0.15 C ATOM 659 CG LEU A 47 78.888 -7.026 2.235 1.00 0.18 C ATOM 660 CD1 LEU A 47 77.780 -6.161 2.872 1.00 0.24 C ATOM 661 CD2 LEU A 47 78.259 -8.089 1.311 1.00 0.20 C ATOM 0 H LEU A 47 81.616 -7.268 2.792 1.00 0.13 H new ATOM 0 HA LEU A 47 80.509 -7.712 0.121 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.283 -5.376 2.083 1.00 0.15 H new ATOM 0 HB3 LEU A 47 79.291 -5.598 0.656 1.00 0.15 H new ATOM 0 HG LEU A 47 79.448 -7.530 3.023 1.00 0.18 H new ATOM 0 HD11 LEU A 47 77.104 -6.798 3.442 1.00 0.24 H new ATOM 0 HD12 LEU A 47 78.231 -5.424 3.537 1.00 0.24 H new ATOM 0 HD13 LEU A 47 77.222 -5.649 2.088 1.00 0.24 H new ATOM 0 HD21 LEU A 47 77.583 -8.719 1.889 1.00 0.20 H new ATOM 0 HD22 LEU A 47 77.702 -7.595 0.514 1.00 0.20 H new ATOM 0 HD23 LEU A 47 79.046 -8.705 0.876 1.00 0.20 H new ATOM 673 N LYS A 48 81.876 -6.153 -1.311 1.00 0.12 N ATOM 674 CA LYS A 48 82.777 -5.301 -2.168 1.00 0.14 C ATOM 675 C LYS A 48 81.951 -4.530 -3.199 1.00 0.12 C ATOM 676 O LYS A 48 80.827 -4.871 -3.478 1.00 0.12 O ATOM 677 CB LYS A 48 83.781 -6.198 -2.899 1.00 0.20 C ATOM 678 CG LYS A 48 84.752 -6.854 -1.880 1.00 0.33 C ATOM 679 CD LYS A 48 86.197 -6.421 -2.142 1.00 0.89 C ATOM 680 CE LYS A 48 87.136 -7.224 -1.242 1.00 1.03 C ATOM 681 NZ LYS A 48 88.475 -6.572 -1.213 1.00 1.68 N ATOM 0 H LYS A 48 81.269 -6.788 -1.830 1.00 0.12 H new ATOM 0 HA LYS A 48 83.305 -4.593 -1.530 1.00 0.14 H new ATOM 0 HB2 LYS A 48 83.251 -6.970 -3.457 1.00 0.20 H new ATOM 0 HB3 LYS A 48 84.345 -5.611 -3.624 1.00 0.20 H new ATOM 0 HG2 LYS A 48 84.463 -6.576 -0.866 1.00 0.33 H new ATOM 0 HG3 LYS A 48 84.676 -7.939 -1.947 1.00 0.33 H new ATOM 0 HD2 LYS A 48 86.453 -6.582 -3.189 1.00 0.89 H new ATOM 0 HD3 LYS A 48 86.310 -5.355 -1.946 1.00 0.89 H new ATOM 0 HE2 LYS A 48 86.727 -7.284 -0.233 1.00 1.03 H new ATOM 0 HE3 LYS A 48 87.225 -8.246 -1.611 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 89.114 -7.118 -0.601 1.00 1.68 H new ATOM 0 HZ2 LYS A 48 88.865 -6.537 -2.176 1.00 1.68 H new ATOM 0 HZ3 LYS A 48 88.382 -5.605 -0.842 1.00 1.68 H new ATOM 695 N TRP A 49 82.508 -3.490 -3.763 1.00 0.12 N ATOM 696 CA TRP A 49 81.751 -2.674 -4.770 1.00 0.11 C ATOM 697 C TRP A 49 81.687 -3.388 -6.133 1.00 0.12 C ATOM 698 O TRP A 49 82.450 -3.084 -7.028 1.00 0.12 O ATOM 699 CB TRP A 49 82.456 -1.318 -4.955 1.00 0.12 C ATOM 700 CG TRP A 49 82.145 -0.431 -3.796 1.00 0.11 C ATOM 701 CD1 TRP A 49 83.028 -0.040 -2.846 1.00 0.11 C ATOM 702 CD2 TRP A 49 80.869 0.168 -3.443 1.00 0.11 C ATOM 703 NE1 TRP A 49 82.373 0.765 -1.930 1.00 0.11 N ATOM 704 CE2 TRP A 49 81.041 0.925 -2.255 1.00 0.11 C ATOM 705 CE3 TRP A 49 79.584 0.129 -4.036 1.00 0.12 C ATOM 706 CZ2 TRP A 49 79.976 1.623 -1.676 1.00 0.13 C ATOM 707 CZ3 TRP A 49 78.508 0.829 -3.450 1.00 0.14 C ATOM 708 CH2 TRP A 49 78.707 1.577 -2.274 1.00 0.15 C ATOM 0 H TRP A 49 83.456 -3.167 -3.572 1.00 0.12 H new ATOM 0 HA TRP A 49 80.735 -2.534 -4.401 1.00 0.11 H new ATOM 0 HB2 TRP A 49 83.533 -1.464 -5.035 1.00 0.12 H new ATOM 0 HB3 TRP A 49 82.128 -0.850 -5.883 1.00 0.12 H new ATOM 0 HD1 TRP A 49 84.073 -0.312 -2.809 1.00 0.11 H new ATOM 0 HE1 TRP A 49 82.819 1.188 -1.116 1.00 0.11 H new ATOM 0 HE3 TRP A 49 79.427 -0.439 -4.941 1.00 0.12 H new ATOM 0 HZ2 TRP A 49 80.129 2.195 -0.773 1.00 0.13 H new ATOM 0 HZ3 TRP A 49 77.529 0.791 -3.905 1.00 0.14 H new ATOM 0 HH2 TRP A 49 77.882 2.116 -1.832 1.00 0.15 H new ATOM 719 N GLN A 50 80.789 -4.327 -6.303 1.00 0.14 N ATOM 720 CA GLN A 50 80.688 -5.044 -7.615 1.00 0.16 C ATOM 721 C GLN A 50 79.346 -5.814 -7.648 1.00 0.17 C ATOM 722 O GLN A 50 78.950 -6.377 -6.655 1.00 0.18 O ATOM 723 CB GLN A 50 81.868 -6.027 -7.725 1.00 0.18 C ATOM 724 CG GLN A 50 82.071 -6.475 -9.175 1.00 0.26 C ATOM 725 CD GLN A 50 83.344 -7.318 -9.278 1.00 0.40 C ATOM 726 OE1 GLN A 50 84.056 -7.244 -10.259 1.00 0.96 O ATOM 727 NE2 GLN A 50 83.661 -8.125 -8.304 1.00 0.75 N ATOM 0 H GLN A 50 80.122 -4.629 -5.592 1.00 0.14 H new ATOM 0 HA GLN A 50 80.724 -4.343 -8.449 1.00 0.16 H new ATOM 0 HB2 GLN A 50 82.777 -5.553 -7.356 1.00 0.18 H new ATOM 0 HB3 GLN A 50 81.683 -6.896 -7.094 1.00 0.18 H new ATOM 0 HG2 GLN A 50 81.211 -7.054 -9.511 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.145 -5.605 -9.828 1.00 0.26 H new ATOM 0 HE21 GLN A 50 83.064 -8.188 -7.479 1.00 0.75 H new ATOM 0 HE22 GLN A 50 84.506 -8.693 -8.367 1.00 0.75 H new ATOM 736 N PRO A 51 78.627 -5.839 -8.759 1.00 0.18 N ATOM 737 CA PRO A 51 77.316 -6.574 -8.833 1.00 0.19 C ATOM 738 C PRO A 51 77.469 -8.097 -8.649 1.00 0.17 C ATOM 739 O PRO A 51 78.427 -8.691 -9.103 1.00 0.21 O ATOM 740 CB PRO A 51 76.784 -6.259 -10.249 1.00 0.20 C ATOM 741 CG PRO A 51 77.980 -5.821 -11.037 1.00 0.22 C ATOM 742 CD PRO A 51 78.944 -5.174 -10.042 1.00 0.20 C ATOM 0 HA PRO A 51 76.646 -6.258 -8.033 1.00 0.19 H new ATOM 0 HB2 PRO A 51 76.318 -7.137 -10.698 1.00 0.20 H new ATOM 0 HB3 PRO A 51 76.026 -5.476 -10.218 1.00 0.20 H new ATOM 0 HG2 PRO A 51 78.449 -6.670 -11.535 1.00 0.22 H new ATOM 0 HG3 PRO A 51 77.694 -5.114 -11.815 1.00 0.22 H new ATOM 0 HD2 PRO A 51 79.983 -5.335 -10.330 1.00 0.20 H new ATOM 0 HD3 PRO A 51 78.793 -4.096 -9.982 1.00 0.20 H new ATOM 750 N SER A 52 76.512 -8.728 -8.003 1.00 0.20 N ATOM 751 CA SER A 52 76.567 -10.216 -7.802 1.00 0.18 C ATOM 752 C SER A 52 75.403 -10.660 -6.903 1.00 0.16 C ATOM 753 O SER A 52 75.380 -11.773 -6.420 1.00 0.16 O ATOM 754 CB SER A 52 77.907 -10.631 -7.162 1.00 0.21 C ATOM 755 OG SER A 52 78.568 -11.547 -8.021 1.00 1.14 O ATOM 0 H SER A 52 75.691 -8.273 -7.604 1.00 0.20 H new ATOM 0 HA SER A 52 76.483 -10.701 -8.775 1.00 0.18 H new ATOM 0 HB2 SER A 52 78.532 -9.754 -6.996 1.00 0.21 H new ATOM 0 HB3 SER A 52 77.733 -11.088 -6.188 1.00 0.21 H new ATOM 0 HG SER A 52 79.422 -11.813 -7.620 1.00 1.14 H new ATOM 761 N ASN A 53 74.448 -9.804 -6.667 1.00 0.15 N ATOM 762 CA ASN A 53 73.303 -10.194 -5.795 1.00 0.15 C ATOM 763 C ASN A 53 73.827 -10.601 -4.415 1.00 0.12 C ATOM 764 O ASN A 53 73.650 -11.717 -3.973 1.00 0.13 O ATOM 765 CB ASN A 53 72.550 -11.366 -6.436 1.00 0.17 C ATOM 766 CG ASN A 53 71.169 -11.502 -5.792 1.00 0.19 C ATOM 767 OD1 ASN A 53 70.840 -10.781 -4.871 1.00 0.24 O ATOM 768 ND2 ASN A 53 70.341 -12.407 -6.239 1.00 0.26 N ATOM 0 H ASN A 53 74.410 -8.855 -7.038 1.00 0.15 H new ATOM 0 HA ASN A 53 72.623 -9.350 -5.683 1.00 0.15 H new ATOM 0 HB2 ASN A 53 72.448 -11.203 -7.509 1.00 0.17 H new ATOM 0 HB3 ASN A 53 73.115 -12.289 -6.307 1.00 0.17 H new ATOM 0 HD21 ASN A 53 69.419 -12.508 -5.815 1.00 0.26 H new ATOM 0 HD22 ASN A 53 70.616 -13.013 -7.012 1.00 0.26 H new ATOM 775 N PHE A 54 74.493 -9.702 -3.744 1.00 0.11 N ATOM 776 CA PHE A 54 75.062 -10.024 -2.399 1.00 0.11 C ATOM 777 C PHE A 54 73.958 -10.428 -1.409 1.00 0.10 C ATOM 778 O PHE A 54 74.132 -11.318 -0.598 1.00 0.14 O ATOM 779 CB PHE A 54 75.815 -8.796 -1.859 1.00 0.12 C ATOM 780 CG PHE A 54 74.848 -7.786 -1.267 1.00 0.11 C ATOM 781 CD1 PHE A 54 74.237 -6.815 -2.086 1.00 0.14 C ATOM 782 CD2 PHE A 54 74.565 -7.820 0.113 1.00 0.12 C ATOM 783 CE1 PHE A 54 73.346 -5.876 -1.521 1.00 0.15 C ATOM 784 CE2 PHE A 54 73.676 -6.884 0.675 1.00 0.13 C ATOM 785 CZ PHE A 54 73.067 -5.912 -0.142 1.00 0.14 C ATOM 0 H PHE A 54 74.670 -8.752 -4.069 1.00 0.11 H new ATOM 0 HA PHE A 54 75.746 -10.866 -2.506 1.00 0.11 H new ATOM 0 HB2 PHE A 54 76.531 -9.109 -1.099 1.00 0.12 H new ATOM 0 HB3 PHE A 54 76.386 -8.331 -2.663 1.00 0.12 H new ATOM 0 HD1 PHE A 54 74.450 -6.789 -3.144 1.00 0.14 H new ATOM 0 HD2 PHE A 54 75.031 -8.565 0.741 1.00 0.12 H new ATOM 0 HE1 PHE A 54 72.879 -5.130 -2.147 1.00 0.15 H new ATOM 0 HE2 PHE A 54 73.461 -6.911 1.733 1.00 0.13 H new ATOM 0 HZ PHE A 54 72.386 -5.194 0.290 1.00 0.14 H new ATOM 795 N ILE A 55 72.838 -9.764 -1.449 1.00 0.11 N ATOM 796 CA ILE A 55 71.751 -10.093 -0.486 1.00 0.11 C ATOM 797 C ILE A 55 71.353 -11.567 -0.621 1.00 0.12 C ATOM 798 O ILE A 55 70.803 -12.155 0.288 1.00 0.14 O ATOM 799 CB ILE A 55 70.559 -9.148 -0.719 1.00 0.13 C ATOM 800 CG1 ILE A 55 69.343 -9.580 0.115 1.00 0.33 C ATOM 801 CG2 ILE A 55 70.177 -9.083 -2.197 1.00 0.32 C ATOM 802 CD1 ILE A 55 69.708 -9.580 1.600 1.00 0.63 C ATOM 0 H ILE A 55 72.628 -9.011 -2.104 1.00 0.11 H new ATOM 0 HA ILE A 55 72.102 -9.947 0.536 1.00 0.11 H new ATOM 0 HB ILE A 55 70.870 -8.153 -0.400 1.00 0.13 H new ATOM 0 HG12 ILE A 55 68.508 -8.902 -0.064 1.00 0.33 H new ATOM 0 HG13 ILE A 55 69.017 -10.575 -0.189 1.00 0.33 H new ATOM 0 HG21 ILE A 55 69.332 -8.407 -2.325 1.00 0.32 H new ATOM 0 HG22 ILE A 55 71.025 -8.718 -2.776 1.00 0.32 H new ATOM 0 HG23 ILE A 55 69.901 -10.078 -2.546 1.00 0.32 H new ATOM 0 HD11 ILE A 55 68.843 -9.887 2.187 1.00 0.63 H new ATOM 0 HD12 ILE A 55 70.529 -10.276 1.773 1.00 0.63 H new ATOM 0 HD13 ILE A 55 70.013 -8.577 1.900 1.00 0.63 H new ATOM 814 N GLU A 56 71.639 -12.174 -1.736 1.00 0.14 N ATOM 815 CA GLU A 56 71.288 -13.616 -1.899 1.00 0.17 C ATOM 816 C GLU A 56 72.077 -14.442 -0.874 1.00 0.15 C ATOM 817 O GLU A 56 71.611 -15.470 -0.423 1.00 0.15 O ATOM 818 CB GLU A 56 71.636 -14.085 -3.313 1.00 0.22 C ATOM 819 CG GLU A 56 71.163 -15.528 -3.500 1.00 0.24 C ATOM 820 CD GLU A 56 71.279 -15.918 -4.975 1.00 0.83 C ATOM 821 OE1 GLU A 56 71.543 -15.040 -5.780 1.00 1.24 O ATOM 822 OE2 GLU A 56 71.102 -17.087 -5.274 1.00 1.08 O ATOM 0 H GLU A 56 72.097 -11.741 -2.538 1.00 0.14 H new ATOM 0 HA GLU A 56 70.218 -13.749 -1.738 1.00 0.17 H new ATOM 0 HB2 GLU A 56 71.162 -13.437 -4.050 1.00 0.22 H new ATOM 0 HB3 GLU A 56 72.712 -14.019 -3.476 1.00 0.22 H new ATOM 0 HG2 GLU A 56 71.763 -16.201 -2.887 1.00 0.24 H new ATOM 0 HG3 GLU A 56 70.130 -15.629 -3.167 1.00 0.24 H new ATOM 829 N THR A 57 73.265 -14.012 -0.518 1.00 0.14 N ATOM 830 CA THR A 57 74.084 -14.804 0.477 1.00 0.14 C ATOM 831 C THR A 57 74.337 -13.979 1.740 1.00 0.13 C ATOM 832 O THR A 57 75.222 -14.284 2.513 1.00 0.14 O ATOM 833 CB THR A 57 75.430 -15.205 -0.145 1.00 0.16 C ATOM 834 OG1 THR A 57 76.201 -14.035 -0.382 1.00 0.15 O ATOM 835 CG2 THR A 57 75.219 -15.953 -1.478 1.00 0.22 C ATOM 0 H THR A 57 73.705 -13.159 -0.864 1.00 0.14 H new ATOM 0 HA THR A 57 73.524 -15.701 0.742 1.00 0.14 H new ATOM 0 HB THR A 57 75.950 -15.868 0.547 1.00 0.16 H new ATOM 0 HG1 THR A 57 76.895 -14.230 -1.046 1.00 0.15 H new ATOM 0 HG21 THR A 57 76.187 -16.226 -1.899 1.00 0.22 H new ATOM 0 HG22 THR A 57 74.633 -16.855 -1.300 1.00 0.22 H new ATOM 0 HG23 THR A 57 74.688 -15.307 -2.178 1.00 0.22 H new ATOM 843 N CYS A 58 73.570 -12.944 1.967 1.00 0.12 N ATOM 844 CA CYS A 58 73.767 -12.109 3.194 1.00 0.11 C ATOM 845 C CYS A 58 72.414 -11.838 3.851 1.00 0.11 C ATOM 846 O CYS A 58 71.381 -11.920 3.221 1.00 0.12 O ATOM 847 CB CYS A 58 74.433 -10.789 2.805 1.00 0.12 C ATOM 848 SG CYS A 58 76.066 -11.138 2.104 1.00 0.12 S ATOM 0 H CYS A 58 72.813 -12.639 1.355 1.00 0.12 H new ATOM 0 HA CYS A 58 74.405 -12.639 3.901 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.818 -10.256 2.080 1.00 0.12 H new ATOM 0 HB3 CYS A 58 74.528 -10.143 3.678 1.00 0.12 H new ATOM 853 N ARG A 59 72.413 -11.570 5.129 1.00 0.11 N ATOM 854 CA ARG A 59 71.124 -11.339 5.852 1.00 0.11 C ATOM 855 C ARG A 59 71.288 -10.216 6.877 1.00 0.12 C ATOM 856 O ARG A 59 72.361 -9.677 7.066 1.00 0.12 O ATOM 857 CB ARG A 59 70.723 -12.623 6.578 1.00 0.12 C ATOM 858 CG ARG A 59 71.808 -12.997 7.590 1.00 0.13 C ATOM 859 CD ARG A 59 71.530 -14.397 8.140 1.00 0.15 C ATOM 860 NE ARG A 59 72.561 -14.745 9.159 1.00 0.18 N ATOM 861 CZ ARG A 59 72.363 -15.748 9.970 1.00 0.22 C ATOM 862 NH1 ARG A 59 71.267 -16.451 9.882 1.00 0.23 N ATOM 863 NH2 ARG A 59 73.261 -16.049 10.868 1.00 0.28 N ATOM 0 H ARG A 59 73.250 -11.500 5.707 1.00 0.11 H new ATOM 0 HA ARG A 59 70.356 -11.056 5.132 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.769 -12.483 7.087 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.586 -13.432 5.860 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.789 -12.969 7.115 1.00 0.13 H new ATOM 0 HG3 ARG A 59 71.827 -12.272 8.404 1.00 0.13 H new ATOM 0 HD2 ARG A 59 70.536 -14.433 8.586 1.00 0.15 H new ATOM 0 HD3 ARG A 59 71.543 -15.127 7.330 1.00 0.15 H new ATOM 0 HE ARG A 59 73.421 -14.200 9.222 1.00 0.18 H new ATOM 0 HH11 ARG A 59 70.566 -16.216 9.180 1.00 0.23 H new ATOM 0 HH12 ARG A 59 71.112 -17.235 10.516 1.00 0.23 H new ATOM 0 HH21 ARG A 59 74.118 -15.500 10.936 1.00 0.28 H new ATOM 0 HH22 ARG A 59 73.106 -16.833 11.502 1.00 0.28 H new ATOM 877 N ASN A 60 70.227 -9.888 7.561 1.00 0.12 N ATOM 878 CA ASN A 60 70.293 -8.830 8.610 1.00 0.13 C ATOM 879 C ASN A 60 71.009 -7.577 8.091 1.00 0.12 C ATOM 880 O ASN A 60 71.878 -7.041 8.750 1.00 0.13 O ATOM 881 CB ASN A 60 71.028 -9.379 9.835 1.00 0.14 C ATOM 882 CG ASN A 60 70.892 -8.406 11.006 1.00 0.16 C ATOM 883 OD1 ASN A 60 70.166 -7.436 10.926 1.00 0.29 O ATOM 884 ND2 ASN A 60 71.573 -8.625 12.099 1.00 0.24 N ATOM 0 H ASN A 60 69.308 -10.312 7.437 1.00 0.12 H new ATOM 0 HA ASN A 60 69.276 -8.547 8.882 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.618 -10.351 10.110 1.00 0.14 H new ATOM 0 HB3 ASN A 60 72.081 -9.532 9.599 1.00 0.14 H new ATOM 0 HD21 ASN A 60 71.495 -7.981 12.886 1.00 0.24 H new ATOM 0 HD22 ASN A 60 72.183 -9.440 12.165 1.00 0.24 H new ATOM 891 N THR A 61 70.630 -7.071 6.944 1.00 0.12 N ATOM 892 CA THR A 61 71.276 -5.819 6.451 1.00 0.12 C ATOM 893 C THR A 61 70.708 -4.655 7.262 1.00 0.11 C ATOM 894 O THR A 61 69.511 -4.562 7.456 1.00 0.12 O ATOM 895 CB THR A 61 70.949 -5.591 4.972 1.00 0.12 C ATOM 896 OG1 THR A 61 69.541 -5.609 4.792 1.00 0.12 O ATOM 897 CG2 THR A 61 71.592 -6.669 4.090 1.00 0.13 C ATOM 0 H THR A 61 69.912 -7.465 6.336 1.00 0.12 H new ATOM 0 HA THR A 61 72.358 -5.895 6.562 1.00 0.12 H new ATOM 0 HB THR A 61 71.352 -4.622 4.676 1.00 0.12 H new ATOM 0 HG1 THR A 61 69.281 -4.894 4.175 1.00 0.12 H new ATOM 0 HG21 THR A 61 71.343 -6.481 3.046 1.00 0.13 H new ATOM 0 HG22 THR A 61 72.675 -6.643 4.215 1.00 0.13 H new ATOM 0 HG23 THR A 61 71.216 -7.650 4.382 1.00 0.13 H new ATOM 905 N GLN A 62 71.540 -3.780 7.770 1.00 0.11 N ATOM 906 CA GLN A 62 71.001 -2.648 8.596 1.00 0.12 C ATOM 907 C GLN A 62 71.893 -1.408 8.453 1.00 0.12 C ATOM 908 O GLN A 62 73.023 -1.489 8.012 1.00 0.13 O ATOM 909 CB GLN A 62 70.961 -3.118 10.066 1.00 0.14 C ATOM 910 CG GLN A 62 69.843 -2.419 10.860 1.00 1.35 C ATOM 911 CD GLN A 62 69.424 -3.298 12.045 1.00 1.73 C ATOM 912 OE1 GLN A 62 68.570 -4.153 11.908 1.00 1.84 O ATOM 913 NE2 GLN A 62 69.986 -3.125 13.209 1.00 2.68 N ATOM 0 H GLN A 62 72.553 -3.796 7.653 1.00 0.11 H new ATOM 0 HA GLN A 62 70.001 -2.375 8.258 1.00 0.12 H new ATOM 0 HB2 GLN A 62 70.810 -4.197 10.099 1.00 0.14 H new ATOM 0 HB3 GLN A 62 71.923 -2.917 10.538 1.00 0.14 H new ATOM 0 HG2 GLN A 62 70.190 -1.450 11.218 1.00 1.35 H new ATOM 0 HG3 GLN A 62 68.986 -2.232 10.213 1.00 1.35 H new ATOM 0 HE21 GLN A 62 70.703 -2.409 13.328 1.00 2.68 H new ATOM 0 HE22 GLN A 62 69.709 -3.706 14.000 1.00 2.68 H new ATOM 922 N LEU A 63 71.385 -0.257 8.816 1.00 0.13 N ATOM 923 CA LEU A 63 72.190 0.993 8.701 1.00 0.14 C ATOM 924 C LEU A 63 73.043 1.151 9.962 1.00 0.14 C ATOM 925 O LEU A 63 72.549 1.101 11.070 1.00 0.14 O ATOM 926 CB LEU A 63 71.232 2.196 8.530 1.00 0.16 C ATOM 927 CG LEU A 63 71.992 3.544 8.479 1.00 0.20 C ATOM 928 CD1 LEU A 63 72.642 3.759 7.095 1.00 0.24 C ATOM 929 CD2 LEU A 63 71.003 4.688 8.758 1.00 0.21 C ATOM 0 H LEU A 63 70.444 -0.131 9.188 1.00 0.13 H new ATOM 0 HA LEU A 63 72.850 0.946 7.834 1.00 0.14 H new ATOM 0 HB2 LEU A 63 70.654 2.071 7.614 1.00 0.16 H new ATOM 0 HB3 LEU A 63 70.521 2.213 9.356 1.00 0.16 H new ATOM 0 HG LEU A 63 72.780 3.530 9.232 1.00 0.20 H new ATOM 0 HD11 LEU A 63 73.170 4.713 7.085 1.00 0.24 H new ATOM 0 HD12 LEU A 63 73.347 2.952 6.895 1.00 0.24 H new ATOM 0 HD13 LEU A 63 71.869 3.764 6.327 1.00 0.24 H new ATOM 0 HD21 LEU A 63 71.530 5.641 8.724 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.217 4.681 8.003 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.560 4.553 9.745 1.00 0.21 H new ATOM 941 N ALA A 64 74.327 1.340 9.786 1.00 0.14 N ATOM 942 CA ALA A 64 75.253 1.502 10.951 1.00 0.15 C ATOM 943 C ALA A 64 75.934 2.871 10.869 1.00 0.16 C ATOM 944 O ALA A 64 76.486 3.239 9.852 1.00 0.16 O ATOM 945 CB ALA A 64 76.329 0.412 10.888 1.00 0.15 C ATOM 0 H ALA A 64 74.779 1.390 8.873 1.00 0.14 H new ATOM 0 HA ALA A 64 74.690 1.422 11.881 1.00 0.15 H new ATOM 0 HB1 ALA A 64 77.008 0.522 11.733 1.00 0.15 H new ATOM 0 HB2 ALA A 64 75.856 -0.569 10.928 1.00 0.15 H new ATOM 0 HB3 ALA A 64 76.889 0.507 9.958 1.00 0.15 H new ATOM 951 N GLY A 65 75.915 3.619 11.935 1.00 0.18 N ATOM 952 CA GLY A 65 76.586 4.950 11.924 1.00 0.20 C ATOM 953 C GLY A 65 75.877 5.906 10.962 1.00 0.20 C ATOM 954 O GLY A 65 74.684 5.826 10.748 1.00 0.20 O ATOM 0 H GLY A 65 75.464 3.367 12.815 1.00 0.18 H new ATOM 0 HA2 GLY A 65 76.585 5.371 12.929 1.00 0.20 H new ATOM 0 HA3 GLY A 65 77.628 4.835 11.627 1.00 0.20 H new ATOM 958 N SER A 66 76.613 6.825 10.399 1.00 0.21 N ATOM 959 CA SER A 66 76.014 7.820 9.465 1.00 0.21 C ATOM 960 C SER A 66 76.047 7.303 8.019 1.00 0.18 C ATOM 961 O SER A 66 75.131 7.539 7.256 1.00 0.18 O ATOM 962 CB SER A 66 76.826 9.127 9.560 1.00 0.24 C ATOM 963 OG SER A 66 77.436 9.206 10.841 1.00 1.23 O ATOM 0 H SER A 66 77.617 6.930 10.549 1.00 0.21 H new ATOM 0 HA SER A 66 74.974 7.991 9.742 1.00 0.21 H new ATOM 0 HB2 SER A 66 77.586 9.154 8.780 1.00 0.24 H new ATOM 0 HB3 SER A 66 76.175 9.986 9.401 1.00 0.24 H new ATOM 0 HG SER A 66 77.955 10.035 10.906 1.00 1.23 H new ATOM 969 N SER A 67 77.114 6.646 7.621 1.00 0.18 N ATOM 970 CA SER A 67 77.217 6.173 6.199 1.00 0.16 C ATOM 971 C SER A 67 77.685 4.719 6.096 1.00 0.16 C ATOM 972 O SER A 67 78.002 4.259 5.017 1.00 0.16 O ATOM 973 CB SER A 67 78.248 7.044 5.487 1.00 0.18 C ATOM 974 OG SER A 67 79.521 6.856 6.092 1.00 0.22 O ATOM 0 H SER A 67 77.912 6.418 8.214 1.00 0.18 H new ATOM 0 HA SER A 67 76.226 6.243 5.751 1.00 0.16 H new ATOM 0 HB2 SER A 67 78.293 6.783 4.430 1.00 0.18 H new ATOM 0 HB3 SER A 67 77.957 8.093 5.544 1.00 0.18 H new ATOM 0 HG SER A 67 80.189 7.398 5.623 1.00 0.22 H new ATOM 980 N GLU A 68 77.772 3.986 7.182 1.00 0.15 N ATOM 981 CA GLU A 68 78.268 2.574 7.084 1.00 0.14 C ATOM 982 C GLU A 68 77.108 1.576 7.074 1.00 0.13 C ATOM 983 O GLU A 68 76.143 1.705 7.801 1.00 0.15 O ATOM 984 CB GLU A 68 79.182 2.280 8.274 1.00 0.16 C ATOM 985 CG GLU A 68 80.459 3.114 8.143 1.00 0.19 C ATOM 986 CD GLU A 68 81.393 2.812 9.316 1.00 1.08 C ATOM 987 OE1 GLU A 68 81.005 2.036 10.174 1.00 1.68 O ATOM 988 OE2 GLU A 68 82.482 3.362 9.336 1.00 1.29 O ATOM 0 H GLU A 68 77.525 4.299 8.121 1.00 0.15 H new ATOM 0 HA GLU A 68 78.817 2.466 6.148 1.00 0.14 H new ATOM 0 HB2 GLU A 68 78.672 2.518 9.208 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.428 1.219 8.306 1.00 0.16 H new ATOM 0 HG2 GLU A 68 80.958 2.888 7.201 1.00 0.19 H new ATOM 0 HG3 GLU A 68 80.212 4.175 8.126 1.00 0.19 H new ATOM 995 N LEU A 69 77.228 0.560 6.256 1.00 0.12 N ATOM 996 CA LEU A 69 76.180 -0.504 6.164 1.00 0.12 C ATOM 997 C LEU A 69 76.751 -1.786 6.780 1.00 0.11 C ATOM 998 O LEU A 69 77.762 -2.301 6.344 1.00 0.13 O ATOM 999 CB LEU A 69 75.816 -0.706 4.677 1.00 0.14 C ATOM 1000 CG LEU A 69 75.181 -2.086 4.427 1.00 0.17 C ATOM 1001 CD1 LEU A 69 74.034 -2.361 5.422 1.00 0.20 C ATOM 1002 CD2 LEU A 69 74.641 -2.116 2.991 1.00 0.27 C ATOM 0 H LEU A 69 78.025 0.420 5.635 1.00 0.12 H new ATOM 0 HA LEU A 69 75.275 -0.227 6.704 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.124 0.075 4.363 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.713 -0.602 4.066 1.00 0.14 H new ATOM 0 HG LEU A 69 75.936 -2.859 4.569 1.00 0.17 H new ATOM 0 HD11 LEU A 69 73.605 -3.343 5.221 1.00 0.20 H new ATOM 0 HD12 LEU A 69 74.422 -2.336 6.440 1.00 0.20 H new ATOM 0 HD13 LEU A 69 73.263 -1.598 5.309 1.00 0.20 H new ATOM 0 HD21 LEU A 69 74.186 -3.087 2.793 1.00 0.27 H new ATOM 0 HD22 LEU A 69 73.893 -1.333 2.867 1.00 0.27 H new ATOM 0 HD23 LEU A 69 75.460 -1.950 2.291 1.00 0.27 H new ATOM 1014 N ALA A 70 76.111 -2.287 7.810 1.00 0.11 N ATOM 1015 CA ALA A 70 76.605 -3.525 8.490 1.00 0.11 C ATOM 1016 C ALA A 70 75.701 -4.695 8.108 1.00 0.11 C ATOM 1017 O ALA A 70 74.497 -4.565 8.013 1.00 0.11 O ATOM 1018 CB ALA A 70 76.553 -3.295 10.002 1.00 0.13 C ATOM 0 H ALA A 70 75.262 -1.888 8.211 1.00 0.11 H new ATOM 0 HA ALA A 70 77.627 -3.751 8.187 1.00 0.11 H new ATOM 0 HB1 ALA A 70 76.909 -4.186 10.518 1.00 0.13 H new ATOM 0 HB2 ALA A 70 77.186 -2.447 10.263 1.00 0.13 H new ATOM 0 HB3 ALA A 70 75.526 -3.087 10.303 1.00 0.13 H new ATOM 1024 N ALA A 71 76.279 -5.838 7.888 1.00 0.10 N ATOM 1025 CA ALA A 71 75.477 -7.032 7.509 1.00 0.11 C ATOM 1026 C ALA A 71 76.255 -8.291 7.893 1.00 0.11 C ATOM 1027 O ALA A 71 77.402 -8.226 8.291 1.00 0.12 O ATOM 1028 CB ALA A 71 75.259 -7.073 5.984 1.00 0.12 C ATOM 0 H ALA A 71 77.284 -5.999 7.955 1.00 0.10 H new ATOM 0 HA ALA A 71 74.516 -6.982 8.022 1.00 0.11 H new ATOM 0 HB1 ALA A 71 74.670 -7.953 5.724 1.00 0.12 H new ATOM 0 HB2 ALA A 71 74.728 -6.175 5.668 1.00 0.12 H new ATOM 0 HB3 ALA A 71 76.224 -7.120 5.480 1.00 0.12 H new ATOM 1034 N GLU A 72 75.648 -9.441 7.722 1.00 0.11 N ATOM 1035 CA GLU A 72 76.340 -10.734 8.004 1.00 0.11 C ATOM 1036 C GLU A 72 76.385 -11.481 6.671 1.00 0.10 C ATOM 1037 O GLU A 72 75.391 -11.541 5.975 1.00 0.11 O ATOM 1038 CB GLU A 72 75.534 -11.537 9.033 1.00 0.14 C ATOM 1039 CG GLU A 72 75.469 -10.763 10.352 1.00 0.20 C ATOM 1040 CD GLU A 72 74.557 -11.502 11.334 1.00 0.22 C ATOM 1041 OE1 GLU A 72 74.101 -12.581 10.991 1.00 0.51 O ATOM 1042 OE2 GLU A 72 74.320 -10.971 12.407 1.00 0.32 O ATOM 0 H GLU A 72 74.687 -9.537 7.394 1.00 0.11 H new ATOM 0 HA GLU A 72 77.340 -10.582 8.410 1.00 0.11 H new ATOM 0 HB2 GLU A 72 74.527 -11.721 8.658 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.997 -12.510 9.193 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.468 -10.660 10.775 1.00 0.20 H new ATOM 0 HG3 GLU A 72 75.092 -9.756 10.176 1.00 0.20 H new ATOM 1049 N CYS A 73 77.516 -12.026 6.279 1.00 0.10 N ATOM 1050 CA CYS A 73 77.585 -12.727 4.949 1.00 0.11 C ATOM 1051 C CYS A 73 78.265 -14.089 5.064 1.00 0.10 C ATOM 1052 O CYS A 73 79.131 -14.313 5.887 1.00 0.10 O ATOM 1053 CB CYS A 73 78.365 -11.856 3.962 1.00 0.12 C ATOM 1054 SG CYS A 73 77.352 -10.430 3.490 1.00 0.11 S ATOM 0 H CYS A 73 78.385 -12.017 6.813 1.00 0.10 H new ATOM 0 HA CYS A 73 76.566 -12.887 4.597 1.00 0.11 H new ATOM 0 HB2 CYS A 73 79.298 -11.520 4.415 1.00 0.12 H new ATOM 0 HB3 CYS A 73 78.630 -12.436 3.078 1.00 0.12 H new ATOM 1059 N LYS A 74 77.843 -15.004 4.239 1.00 0.11 N ATOM 1060 CA LYS A 74 78.424 -16.372 4.276 1.00 0.11 C ATOM 1061 C LYS A 74 79.830 -16.403 3.691 1.00 0.11 C ATOM 1062 O LYS A 74 80.092 -15.909 2.613 1.00 0.11 O ATOM 1063 CB LYS A 74 77.548 -17.338 3.469 1.00 0.13 C ATOM 1064 CG LYS A 74 76.224 -17.533 4.194 1.00 0.20 C ATOM 1065 CD LYS A 74 75.369 -18.590 3.478 1.00 0.19 C ATOM 1066 CE LYS A 74 75.832 -20.003 3.865 1.00 0.44 C ATOM 1067 NZ LYS A 74 74.779 -20.986 3.485 1.00 0.52 N ATOM 0 H LYS A 74 77.117 -14.862 3.537 1.00 0.11 H new ATOM 0 HA LYS A 74 78.468 -16.674 5.322 1.00 0.11 H new ATOM 0 HB2 LYS A 74 77.374 -16.942 2.469 1.00 0.13 H new ATOM 0 HB3 LYS A 74 78.056 -18.295 3.349 1.00 0.13 H new ATOM 0 HG2 LYS A 74 76.408 -17.842 5.223 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.683 -16.587 4.237 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.320 -18.459 3.743 1.00 0.19 H new ATOM 0 HD3 LYS A 74 75.445 -18.458 2.399 1.00 0.19 H new ATOM 0 HE2 LYS A 74 76.768 -20.242 3.361 1.00 0.44 H new ATOM 0 HE3 LYS A 74 76.025 -20.055 4.937 1.00 0.44 H new ATOM 0 HZ1 LYS A 74 75.212 -21.773 2.960 1.00 0.52 H new ATOM 0 HZ2 LYS A 74 74.321 -21.353 4.343 1.00 0.52 H new ATOM 0 HZ3 LYS A 74 74.068 -20.519 2.886 1.00 0.52 H new ATOM 1081 N THR A 75 80.716 -17.046 4.393 1.00 0.11 N ATOM 1082 CA THR A 75 82.111 -17.200 3.904 1.00 0.12 C ATOM 1083 C THR A 75 82.164 -18.504 3.125 1.00 0.12 C ATOM 1084 O THR A 75 81.212 -19.258 3.106 1.00 0.12 O ATOM 1085 CB THR A 75 83.097 -17.280 5.075 1.00 0.13 C ATOM 1086 OG1 THR A 75 82.960 -18.538 5.719 1.00 0.14 O ATOM 1087 CG2 THR A 75 82.825 -16.164 6.086 1.00 0.14 C ATOM 0 H THR A 75 80.530 -17.478 5.298 1.00 0.11 H new ATOM 0 HA THR A 75 82.387 -16.344 3.288 1.00 0.12 H new ATOM 0 HB THR A 75 84.110 -17.165 4.688 1.00 0.13 H new ATOM 0 HG1 THR A 75 83.590 -18.593 6.467 1.00 0.14 H new ATOM 0 HG21 THR A 75 83.535 -16.238 6.910 1.00 0.14 H new ATOM 0 HG22 THR A 75 82.935 -15.196 5.598 1.00 0.14 H new ATOM 0 HG23 THR A 75 81.810 -16.262 6.472 1.00 0.14 H new ATOM 1095 N ARG A 76 83.250 -18.794 2.483 1.00 0.15 N ATOM 1096 CA ARG A 76 83.306 -20.064 1.723 1.00 0.16 C ATOM 1097 C ARG A 76 83.059 -21.229 2.676 1.00 0.15 C ATOM 1098 O ARG A 76 82.687 -22.302 2.247 1.00 0.16 O ATOM 1099 CB ARG A 76 84.666 -20.232 1.038 1.00 0.21 C ATOM 1100 CG ARG A 76 84.777 -19.231 -0.127 1.00 0.24 C ATOM 1101 CD ARG A 76 85.964 -19.577 -1.054 1.00 0.32 C ATOM 1102 NE ARG A 76 87.128 -18.719 -0.701 1.00 1.52 N ATOM 1103 CZ ARG A 76 88.297 -18.955 -1.236 1.00 2.06 C ATOM 1104 NH1 ARG A 76 88.428 -19.916 -2.109 1.00 1.96 N ATOM 1105 NH2 ARG A 76 89.325 -18.225 -0.911 1.00 3.22 N ATOM 0 H ARG A 76 84.091 -18.218 2.450 1.00 0.15 H new ATOM 0 HA ARG A 76 82.537 -20.046 0.951 1.00 0.16 H new ATOM 0 HB2 ARG A 76 85.470 -20.064 1.755 1.00 0.21 H new ATOM 0 HB3 ARG A 76 84.776 -21.251 0.668 1.00 0.21 H new ATOM 0 HG2 ARG A 76 83.851 -19.235 -0.702 1.00 0.24 H new ATOM 0 HG3 ARG A 76 84.903 -18.223 0.268 1.00 0.24 H new ATOM 0 HD2 ARG A 76 86.228 -20.629 -0.949 1.00 0.32 H new ATOM 0 HD3 ARG A 76 85.685 -19.421 -2.096 1.00 0.32 H new ATOM 0 HE ARG A 76 87.014 -17.948 -0.043 1.00 1.52 H new ATOM 0 HH11 ARG A 76 87.620 -20.480 -2.372 1.00 1.96 H new ATOM 0 HH12 ARG A 76 89.339 -20.103 -2.529 1.00 1.96 H new ATOM 0 HH21 ARG A 76 89.219 -17.467 -0.237 1.00 3.22 H new ATOM 0 HH22 ARG A 76 90.236 -18.412 -1.330 1.00 3.22 H new ATOM 1119 N ALA A 77 83.283 -21.064 3.962 1.00 0.15 N ATOM 1120 CA ALA A 77 83.071 -22.225 4.881 1.00 0.15 C ATOM 1121 C ALA A 77 81.585 -22.327 5.272 1.00 0.14 C ATOM 1122 O ALA A 77 81.239 -23.081 6.157 1.00 0.14 O ATOM 1123 CB ALA A 77 83.969 -22.084 6.131 1.00 0.16 C ATOM 0 H ALA A 77 83.595 -20.199 4.403 1.00 0.15 H new ATOM 0 HA ALA A 77 83.349 -23.145 4.366 1.00 0.15 H new ATOM 0 HB1 ALA A 77 83.807 -22.934 6.793 1.00 0.16 H new ATOM 0 HB2 ALA A 77 85.015 -22.056 5.826 1.00 0.16 H new ATOM 0 HB3 ALA A 77 83.719 -21.162 6.656 1.00 0.16 H new ATOM 1129 N GLN A 78 80.708 -21.576 4.635 1.00 0.13 N ATOM 1130 CA GLN A 78 79.242 -21.611 4.961 1.00 0.14 C ATOM 1131 C GLN A 78 78.965 -21.099 6.377 1.00 0.14 C ATOM 1132 O GLN A 78 78.067 -21.570 7.043 1.00 0.16 O ATOM 1133 CB GLN A 78 78.676 -23.029 4.800 1.00 0.16 C ATOM 1134 CG GLN A 78 78.848 -23.488 3.349 1.00 0.22 C ATOM 1135 CD GLN A 78 78.011 -22.602 2.416 1.00 0.35 C ATOM 1136 OE1 GLN A 78 76.815 -22.460 2.597 1.00 0.81 O ATOM 1137 NE2 GLN A 78 78.596 -21.989 1.424 1.00 0.29 N ATOM 0 H GLN A 78 80.955 -20.927 3.887 1.00 0.13 H new ATOM 0 HA GLN A 78 78.743 -20.948 4.255 1.00 0.14 H new ATOM 0 HB2 GLN A 78 79.190 -23.715 5.473 1.00 0.16 H new ATOM 0 HB3 GLN A 78 77.621 -23.044 5.074 1.00 0.16 H new ATOM 0 HG2 GLN A 78 79.899 -23.438 3.065 1.00 0.22 H new ATOM 0 HG3 GLN A 78 78.540 -24.529 3.249 1.00 0.22 H new ATOM 0 HE21 GLN A 78 79.598 -22.107 1.271 1.00 0.29 H new ATOM 0 HE22 GLN A 78 78.052 -21.392 0.801 1.00 0.29 H new ATOM 1146 N GLN A 79 79.711 -20.118 6.831 1.00 0.14 N ATOM 1147 CA GLN A 79 79.488 -19.542 8.203 1.00 0.16 C ATOM 1148 C GLN A 79 79.156 -18.043 8.072 1.00 0.15 C ATOM 1149 O GLN A 79 79.731 -17.347 7.260 1.00 0.21 O ATOM 1150 CB GLN A 79 80.784 -19.735 9.032 1.00 0.18 C ATOM 1151 CG GLN A 79 80.486 -20.495 10.328 1.00 1.25 C ATOM 1152 CD GLN A 79 81.795 -20.841 11.035 1.00 1.67 C ATOM 1153 OE1 GLN A 79 82.812 -21.026 10.398 1.00 2.08 O ATOM 1154 NE2 GLN A 79 81.812 -20.936 12.335 1.00 2.46 N ATOM 0 H GLN A 79 80.472 -19.686 6.307 1.00 0.14 H new ATOM 0 HA GLN A 79 78.659 -20.044 8.702 1.00 0.16 H new ATOM 0 HB2 GLN A 79 81.520 -20.283 8.444 1.00 0.18 H new ATOM 0 HB3 GLN A 79 81.221 -18.764 9.266 1.00 0.18 H new ATOM 0 HG2 GLN A 79 79.858 -19.888 10.981 1.00 1.25 H new ATOM 0 HG3 GLN A 79 79.929 -21.406 10.107 1.00 1.25 H new ATOM 0 HE21 GLN A 79 80.957 -20.780 12.869 1.00 2.46 H new ATOM 0 HE22 GLN A 79 82.680 -21.166 12.818 1.00 2.46 H new ATOM 1163 N PHE A 80 78.241 -17.531 8.872 1.00 0.13 N ATOM 1164 CA PHE A 80 77.899 -16.069 8.772 1.00 0.12 C ATOM 1165 C PHE A 80 78.860 -15.263 9.663 1.00 0.12 C ATOM 1166 O PHE A 80 78.950 -15.513 10.849 1.00 0.13 O ATOM 1167 CB PHE A 80 76.465 -15.819 9.281 1.00 0.14 C ATOM 1168 CG PHE A 80 75.429 -16.173 8.237 1.00 0.14 C ATOM 1169 CD1 PHE A 80 75.223 -15.318 7.139 1.00 0.14 C ATOM 1170 CD2 PHE A 80 74.646 -17.335 8.382 1.00 0.17 C ATOM 1171 CE1 PHE A 80 74.239 -15.626 6.182 1.00 0.16 C ATOM 1172 CE2 PHE A 80 73.657 -17.641 7.427 1.00 0.18 C ATOM 1173 CZ PHE A 80 73.454 -16.787 6.327 1.00 0.18 C ATOM 0 H PHE A 80 77.724 -18.053 9.579 1.00 0.13 H new ATOM 0 HA PHE A 80 77.982 -15.764 7.729 1.00 0.12 H new ATOM 0 HB2 PHE A 80 76.291 -16.409 10.181 1.00 0.14 H new ATOM 0 HB3 PHE A 80 76.356 -14.771 9.561 1.00 0.14 H new ATOM 0 HD1 PHE A 80 75.820 -14.425 7.031 1.00 0.14 H new ATOM 0 HD2 PHE A 80 74.804 -17.991 9.225 1.00 0.17 H new ATOM 0 HE1 PHE A 80 74.085 -14.972 5.336 1.00 0.16 H new ATOM 0 HE2 PHE A 80 73.055 -18.531 7.539 1.00 0.18 H new ATOM 0 HZ PHE A 80 72.696 -17.022 5.594 1.00 0.18 H new ATOM 1183 N VAL A 81 79.558 -14.289 9.116 1.00 0.12 N ATOM 1184 CA VAL A 81 80.497 -13.457 9.953 1.00 0.12 C ATOM 1185 C VAL A 81 80.147 -11.982 9.776 1.00 0.12 C ATOM 1186 O VAL A 81 79.457 -11.608 8.848 1.00 0.11 O ATOM 1187 CB VAL A 81 81.951 -13.730 9.545 1.00 0.13 C ATOM 1188 CG1 VAL A 81 82.119 -15.231 9.323 1.00 0.13 C ATOM 1189 CG2 VAL A 81 82.318 -13.071 8.211 1.00 0.13 C ATOM 0 H VAL A 81 79.520 -14.033 8.129 1.00 0.12 H new ATOM 0 HA VAL A 81 80.390 -13.723 11.005 1.00 0.12 H new ATOM 0 HB VAL A 81 82.584 -13.333 10.339 1.00 0.13 H new ATOM 0 HG11 VAL A 81 83.148 -15.443 9.032 1.00 0.13 H new ATOM 0 HG12 VAL A 81 81.886 -15.764 10.245 1.00 0.13 H new ATOM 0 HG13 VAL A 81 81.444 -15.560 8.533 1.00 0.13 H new ATOM 0 HG21 VAL A 81 83.357 -13.295 7.968 1.00 0.13 H new ATOM 0 HG22 VAL A 81 81.670 -13.457 7.424 1.00 0.13 H new ATOM 0 HG23 VAL A 81 82.188 -11.992 8.291 1.00 0.13 H new ATOM 1199 N SER A 82 80.581 -11.138 10.670 1.00 0.15 N ATOM 1200 CA SER A 82 80.233 -9.694 10.557 1.00 0.16 C ATOM 1201 C SER A 82 80.995 -9.030 9.407 1.00 0.14 C ATOM 1202 O SER A 82 82.200 -9.143 9.299 1.00 0.17 O ATOM 1203 CB SER A 82 80.578 -8.984 11.867 1.00 0.21 C ATOM 1204 OG SER A 82 80.057 -7.661 11.832 1.00 0.22 O ATOM 0 H SER A 82 81.160 -11.385 11.472 1.00 0.15 H new ATOM 0 HA SER A 82 79.165 -9.614 10.355 1.00 0.16 H new ATOM 0 HB2 SER A 82 80.159 -9.530 12.712 1.00 0.21 H new ATOM 0 HB3 SER A 82 81.659 -8.959 12.007 1.00 0.21 H new ATOM 0 HG SER A 82 80.274 -7.202 12.670 1.00 0.22 H new ATOM 1210 N THR A 83 80.297 -8.320 8.557 1.00 0.11 N ATOM 1211 CA THR A 83 80.958 -7.621 7.410 1.00 0.11 C ATOM 1212 C THR A 83 80.397 -6.201 7.309 1.00 0.11 C ATOM 1213 O THR A 83 79.315 -5.911 7.780 1.00 0.12 O ATOM 1214 CB THR A 83 80.696 -8.390 6.112 1.00 0.13 C ATOM 1215 OG1 THR A 83 81.297 -7.702 5.025 1.00 0.19 O ATOM 1216 CG2 THR A 83 79.192 -8.522 5.869 1.00 0.16 C ATOM 0 H THR A 83 79.286 -8.193 8.609 1.00 0.11 H new ATOM 0 HA THR A 83 82.035 -7.576 7.572 1.00 0.11 H new ATOM 0 HB THR A 83 81.127 -9.388 6.197 1.00 0.13 H new ATOM 0 HG1 THR A 83 80.720 -6.959 4.749 1.00 0.19 H new ATOM 0 HG21 THR A 83 79.020 -9.071 4.943 1.00 0.16 H new ATOM 0 HG22 THR A 83 78.735 -9.060 6.700 1.00 0.16 H new ATOM 0 HG23 THR A 83 78.748 -7.530 5.791 1.00 0.16 H new ATOM 1224 N LYS A 84 81.134 -5.313 6.698 1.00 0.11 N ATOM 1225 CA LYS A 84 80.653 -3.910 6.572 1.00 0.14 C ATOM 1226 C LYS A 84 81.321 -3.236 5.370 1.00 0.12 C ATOM 1227 O LYS A 84 82.339 -3.671 4.870 1.00 0.13 O ATOM 1228 CB LYS A 84 80.990 -3.148 7.850 1.00 0.20 C ATOM 1229 CG LYS A 84 82.505 -3.121 8.050 1.00 0.25 C ATOM 1230 CD LYS A 84 82.828 -2.607 9.459 1.00 0.34 C ATOM 1231 CE LYS A 84 84.255 -2.057 9.512 1.00 1.20 C ATOM 1232 NZ LYS A 84 84.477 -1.403 10.832 1.00 2.04 N ATOM 0 H LYS A 84 82.046 -5.499 6.282 1.00 0.11 H new ATOM 0 HA LYS A 84 79.574 -3.907 6.421 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.603 -2.131 7.791 1.00 0.20 H new ATOM 0 HB3 LYS A 84 80.509 -3.623 8.705 1.00 0.20 H new ATOM 0 HG2 LYS A 84 82.918 -4.120 7.913 1.00 0.25 H new ATOM 0 HG3 LYS A 84 82.970 -2.479 7.302 1.00 0.25 H new ATOM 0 HD2 LYS A 84 82.120 -1.827 9.740 1.00 0.34 H new ATOM 0 HD3 LYS A 84 82.716 -3.415 10.182 1.00 0.34 H new ATOM 0 HE2 LYS A 84 84.974 -2.863 9.366 1.00 1.20 H new ATOM 0 HE3 LYS A 84 84.412 -1.340 8.706 1.00 1.20 H new ATOM 0 HZ1 LYS A 84 85.446 -1.027 10.875 1.00 2.04 H new ATOM 0 HZ2 LYS A 84 83.798 -0.625 10.952 1.00 2.04 H new ATOM 0 HZ3 LYS A 84 84.343 -2.100 11.592 1.00 2.04 H new ATOM 1246 N ILE A 85 80.719 -2.175 4.903 1.00 0.12 N ATOM 1247 CA ILE A 85 81.246 -1.430 3.725 1.00 0.12 C ATOM 1248 C ILE A 85 80.890 0.057 3.869 1.00 0.11 C ATOM 1249 O ILE A 85 79.876 0.416 4.434 1.00 0.11 O ATOM 1250 CB ILE A 85 80.613 -2.013 2.457 1.00 0.12 C ATOM 1251 CG1 ILE A 85 81.282 -1.406 1.214 1.00 0.15 C ATOM 1252 CG2 ILE A 85 79.109 -1.721 2.439 1.00 0.12 C ATOM 1253 CD1 ILE A 85 80.772 -2.115 -0.052 1.00 0.22 C ATOM 0 H ILE A 85 79.864 -1.785 5.299 1.00 0.12 H new ATOM 0 HA ILE A 85 82.330 -1.525 3.663 1.00 0.12 H new ATOM 0 HB ILE A 85 80.762 -3.093 2.449 1.00 0.12 H new ATOM 0 HG12 ILE A 85 81.064 -0.339 1.157 1.00 0.15 H new ATOM 0 HG13 ILE A 85 82.365 -1.507 1.287 1.00 0.15 H new ATOM 0 HG21 ILE A 85 78.668 -2.139 1.534 1.00 0.12 H new ATOM 0 HG22 ILE A 85 78.640 -2.173 3.313 1.00 0.12 H new ATOM 0 HG23 ILE A 85 78.947 -0.643 2.457 1.00 0.12 H new ATOM 0 HD11 ILE A 85 81.250 -1.680 -0.930 1.00 0.22 H new ATOM 0 HD12 ILE A 85 81.012 -3.177 0.004 1.00 0.22 H new ATOM 0 HD13 ILE A 85 79.692 -1.991 -0.128 1.00 0.22 H new ATOM 1265 N ASN A 86 81.731 0.919 3.363 1.00 0.12 N ATOM 1266 CA ASN A 86 81.467 2.390 3.468 1.00 0.12 C ATOM 1267 C ASN A 86 80.613 2.854 2.281 1.00 0.10 C ATOM 1268 O ASN A 86 81.071 2.870 1.163 1.00 0.11 O ATOM 1269 CB ASN A 86 82.804 3.139 3.447 1.00 0.14 C ATOM 1270 CG ASN A 86 82.593 4.585 3.903 1.00 0.15 C ATOM 1271 OD1 ASN A 86 81.485 5.084 3.891 1.00 0.14 O ATOM 1272 ND2 ASN A 86 83.620 5.284 4.306 1.00 0.22 N ATOM 0 H ASN A 86 82.594 0.670 2.879 1.00 0.12 H new ATOM 0 HA ASN A 86 80.934 2.596 4.396 1.00 0.12 H new ATOM 0 HB2 ASN A 86 83.520 2.642 4.101 1.00 0.14 H new ATOM 0 HB3 ASN A 86 83.225 3.122 2.442 1.00 0.14 H new ATOM 0 HD21 ASN A 86 83.492 6.249 4.611 1.00 0.22 H new ATOM 0 HD22 ASN A 86 84.550 4.865 4.316 1.00 0.22 H new ATOM 1279 N LEU A 87 79.391 3.261 2.518 1.00 0.09 N ATOM 1280 CA LEU A 87 78.522 3.752 1.397 1.00 0.10 C ATOM 1281 C LEU A 87 79.074 5.067 0.843 1.00 0.09 C ATOM 1282 O LEU A 87 78.756 5.459 -0.261 1.00 0.09 O ATOM 1283 CB LEU A 87 77.098 4.013 1.905 1.00 0.11 C ATOM 1284 CG LEU A 87 76.555 2.779 2.632 1.00 0.14 C ATOM 1285 CD1 LEU A 87 75.089 3.028 3.018 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.667 1.550 1.718 1.00 0.13 C ATOM 0 H LEU A 87 78.954 3.276 3.440 1.00 0.09 H new ATOM 0 HA LEU A 87 78.509 2.989 0.619 1.00 0.10 H new ATOM 0 HB2 LEU A 87 77.097 4.870 2.579 1.00 0.11 H new ATOM 0 HB3 LEU A 87 76.447 4.265 1.068 1.00 0.11 H new ATOM 0 HG LEU A 87 77.136 2.594 3.535 1.00 0.14 H new ATOM 0 HD11 LEU A 87 74.696 2.153 3.536 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.028 3.896 3.674 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.502 3.211 2.118 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.280 0.674 2.238 1.00 0.13 H new ATOM 0 HD22 LEU A 87 76.088 1.718 0.810 1.00 0.13 H new ATOM 0 HD23 LEU A 87 77.712 1.385 1.457 1.00 0.13 H new ATOM 1298 N ASP A 88 79.859 5.773 1.600 1.00 0.10 N ATOM 1299 CA ASP A 88 80.375 7.083 1.104 1.00 0.10 C ATOM 1300 C ASP A 88 81.362 6.906 -0.060 1.00 0.09 C ATOM 1301 O ASP A 88 81.719 7.865 -0.712 1.00 0.10 O ATOM 1302 CB ASP A 88 81.085 7.815 2.247 1.00 0.11 C ATOM 1303 CG ASP A 88 80.054 8.288 3.275 1.00 0.12 C ATOM 1304 OD1 ASP A 88 78.897 8.421 2.908 1.00 0.13 O ATOM 1305 OD2 ASP A 88 80.439 8.510 4.410 1.00 0.16 O ATOM 0 H ASP A 88 80.167 5.506 2.535 1.00 0.10 H new ATOM 0 HA ASP A 88 79.523 7.660 0.744 1.00 0.10 H new ATOM 0 HB2 ASP A 88 81.809 7.153 2.722 1.00 0.11 H new ATOM 0 HB3 ASP A 88 81.641 8.667 1.856 1.00 0.11 H new ATOM 1310 N ASP A 89 81.852 5.719 -0.312 1.00 0.09 N ATOM 1311 CA ASP A 89 82.851 5.533 -1.411 1.00 0.10 C ATOM 1312 C ASP A 89 82.289 5.875 -2.797 1.00 0.09 C ATOM 1313 O ASP A 89 83.002 6.389 -3.635 1.00 0.10 O ATOM 1314 CB ASP A 89 83.295 4.068 -1.449 1.00 0.10 C ATOM 1315 CG ASP A 89 84.129 3.750 -0.206 1.00 0.14 C ATOM 1316 OD1 ASP A 89 84.634 4.683 0.399 1.00 0.20 O ATOM 1317 OD2 ASP A 89 84.252 2.580 0.119 1.00 0.19 O ATOM 0 H ASP A 89 81.604 4.869 0.195 1.00 0.09 H new ATOM 0 HA ASP A 89 83.677 6.210 -1.195 1.00 0.10 H new ATOM 0 HB2 ASP A 89 82.423 3.415 -1.491 1.00 0.10 H new ATOM 0 HB3 ASP A 89 83.879 3.878 -2.349 1.00 0.10 H new ATOM 1322 N HIS A 90 81.055 5.520 -3.089 1.00 0.09 N ATOM 1323 CA HIS A 90 80.519 5.770 -4.474 1.00 0.09 C ATOM 1324 C HIS A 90 79.069 6.279 -4.456 1.00 0.09 C ATOM 1325 O HIS A 90 78.554 6.713 -5.469 1.00 0.10 O ATOM 1326 CB HIS A 90 80.606 4.451 -5.248 1.00 0.10 C ATOM 1327 CG HIS A 90 82.053 4.039 -5.319 1.00 0.11 C ATOM 1328 ND1 HIS A 90 82.955 4.676 -6.160 1.00 0.16 N ATOM 1329 CD2 HIS A 90 82.781 3.085 -4.642 1.00 0.10 C ATOM 1330 CE1 HIS A 90 84.161 4.111 -5.970 1.00 0.18 C ATOM 1331 NE2 HIS A 90 84.109 3.136 -5.058 1.00 0.14 N ATOM 0 H HIS A 90 80.405 5.075 -2.441 1.00 0.09 H new ATOM 0 HA HIS A 90 81.113 6.549 -4.951 1.00 0.09 H new ATOM 0 HB2 HIS A 90 80.016 3.680 -4.752 1.00 0.10 H new ATOM 0 HB3 HIS A 90 80.196 4.571 -6.251 1.00 0.10 H new ATOM 0 HD1 HIS A 90 82.742 5.436 -6.806 1.00 0.16 H new ATOM 0 HD2 HIS A 90 82.384 2.404 -3.904 1.00 0.10 H new ATOM 0 HE1 HIS A 90 85.060 4.409 -6.490 1.00 0.18 H new ATOM 1339 N ILE A 91 78.406 6.254 -3.334 1.00 0.08 N ATOM 1340 CA ILE A 91 76.998 6.760 -3.297 1.00 0.08 C ATOM 1341 C ILE A 91 77.017 8.272 -3.101 1.00 0.08 C ATOM 1342 O ILE A 91 77.367 8.764 -2.047 1.00 0.09 O ATOM 1343 CB ILE A 91 76.242 6.103 -2.138 1.00 0.09 C ATOM 1344 CG1 ILE A 91 76.135 4.571 -2.359 1.00 0.10 C ATOM 1345 CG2 ILE A 91 74.853 6.748 -2.001 1.00 0.10 C ATOM 1346 CD1 ILE A 91 75.326 4.244 -3.631 1.00 0.29 C ATOM 0 H ILE A 91 78.771 5.909 -2.446 1.00 0.08 H new ATOM 0 HA ILE A 91 76.497 6.515 -4.234 1.00 0.08 H new ATOM 0 HB ILE A 91 76.791 6.262 -1.210 1.00 0.09 H new ATOM 0 HG12 ILE A 91 77.134 4.142 -2.440 1.00 0.10 H new ATOM 0 HG13 ILE A 91 75.659 4.109 -1.494 1.00 0.10 H new ATOM 0 HG21 ILE A 91 74.315 6.281 -1.176 1.00 0.10 H new ATOM 0 HG22 ILE A 91 74.965 7.814 -1.804 1.00 0.10 H new ATOM 0 HG23 ILE A 91 74.294 6.607 -2.926 1.00 0.10 H new ATOM 0 HD11 ILE A 91 75.269 3.163 -3.758 1.00 0.29 H new ATOM 0 HD12 ILE A 91 74.320 4.652 -3.537 1.00 0.29 H new ATOM 0 HD13 ILE A 91 75.817 4.686 -4.498 1.00 0.29 H new ATOM 1358 N ALA A 92 76.642 9.006 -4.124 1.00 0.09 N ATOM 1359 CA ALA A 92 76.638 10.506 -4.011 1.00 0.09 C ATOM 1360 C ALA A 92 75.224 11.063 -4.209 1.00 0.09 C ATOM 1361 O ALA A 92 74.321 10.380 -4.648 1.00 0.09 O ATOM 1362 CB ALA A 92 77.554 11.143 -5.077 1.00 0.10 C ATOM 0 H ALA A 92 76.341 8.637 -5.026 1.00 0.09 H new ATOM 0 HA ALA A 92 77.002 10.752 -3.013 1.00 0.09 H new ATOM 0 HB1 ALA A 92 77.533 12.228 -4.973 1.00 0.10 H new ATOM 0 HB2 ALA A 92 78.574 10.785 -4.941 1.00 0.10 H new ATOM 0 HB3 ALA A 92 77.202 10.867 -6.071 1.00 0.10 H new ATOM 1368 N ASN A 93 75.055 12.326 -3.906 1.00 0.10 N ATOM 1369 CA ASN A 93 73.735 13.003 -4.085 1.00 0.10 C ATOM 1370 C ASN A 93 73.884 14.016 -5.220 1.00 0.11 C ATOM 1371 O ASN A 93 74.556 15.017 -5.070 1.00 0.12 O ATOM 1372 CB ASN A 93 73.361 13.735 -2.792 1.00 0.12 C ATOM 1373 CG ASN A 93 72.077 14.538 -3.007 1.00 0.11 C ATOM 1374 OD1 ASN A 93 71.181 14.101 -3.701 1.00 0.17 O ATOM 1375 ND2 ASN A 93 71.949 15.703 -2.432 1.00 0.14 N ATOM 0 H ASN A 93 75.791 12.927 -3.535 1.00 0.10 H new ATOM 0 HA ASN A 93 72.957 12.277 -4.319 1.00 0.10 H new ATOM 0 HB2 ASN A 93 73.221 13.017 -1.984 1.00 0.12 H new ATOM 0 HB3 ASN A 93 74.171 14.400 -2.492 1.00 0.12 H new ATOM 0 HD21 ASN A 93 71.096 16.247 -2.565 1.00 0.14 H new ATOM 0 HD22 ASN A 93 72.702 16.070 -1.849 1.00 0.14 H new ATOM 1382 N ILE A 94 73.255 13.779 -6.347 1.00 0.11 N ATOM 1383 CA ILE A 94 73.349 14.747 -7.492 1.00 0.13 C ATOM 1384 C ILE A 94 71.957 15.347 -7.692 1.00 0.13 C ATOM 1385 O ILE A 94 71.048 14.717 -8.192 1.00 0.13 O ATOM 1386 CB ILE A 94 73.813 13.980 -8.747 1.00 0.16 C ATOM 1387 CG1 ILE A 94 75.283 13.553 -8.541 1.00 0.17 C ATOM 1388 CG2 ILE A 94 73.693 14.842 -10.042 1.00 0.18 C ATOM 1389 CD1 ILE A 94 75.692 12.473 -9.555 1.00 0.19 C ATOM 0 H ILE A 94 72.679 12.956 -6.526 1.00 0.11 H new ATOM 0 HA ILE A 94 74.065 15.545 -7.298 1.00 0.13 H new ATOM 0 HB ILE A 94 73.168 13.111 -8.879 1.00 0.16 H new ATOM 0 HG12 ILE A 94 75.935 14.420 -8.646 1.00 0.17 H new ATOM 0 HG13 ILE A 94 75.416 13.174 -7.528 1.00 0.17 H new ATOM 0 HG21 ILE A 94 74.031 14.260 -10.899 1.00 0.18 H new ATOM 0 HG22 ILE A 94 72.653 15.135 -10.189 1.00 0.18 H new ATOM 0 HG23 ILE A 94 74.311 15.735 -9.943 1.00 0.18 H new ATOM 0 HD11 ILE A 94 76.731 12.191 -9.387 1.00 0.19 H new ATOM 0 HD12 ILE A 94 75.054 11.598 -9.432 1.00 0.19 H new ATOM 0 HD13 ILE A 94 75.581 12.863 -10.567 1.00 0.19 H new ATOM 1401 N ASP A 95 71.817 16.582 -7.308 1.00 0.13 N ATOM 1402 CA ASP A 95 70.524 17.305 -7.470 1.00 0.14 C ATOM 1403 C ASP A 95 69.409 16.703 -6.604 1.00 0.13 C ATOM 1404 O ASP A 95 68.255 16.726 -6.982 1.00 0.14 O ATOM 1405 CB ASP A 95 70.108 17.268 -8.947 1.00 0.15 C ATOM 1406 CG ASP A 95 69.096 18.386 -9.222 1.00 0.17 C ATOM 1407 OD1 ASP A 95 68.591 18.950 -8.264 1.00 0.18 O ATOM 1408 OD2 ASP A 95 68.847 18.659 -10.385 1.00 0.22 O ATOM 0 H ASP A 95 72.560 17.134 -6.879 1.00 0.13 H new ATOM 0 HA ASP A 95 70.672 18.333 -7.140 1.00 0.14 H new ATOM 0 HB2 ASP A 95 70.983 17.390 -9.585 1.00 0.15 H new ATOM 0 HB3 ASP A 95 69.670 16.299 -9.188 1.00 0.15 H new ATOM 1413 N GLY A 96 69.718 16.183 -5.442 1.00 0.13 N ATOM 1414 CA GLY A 96 68.638 15.614 -4.573 1.00 0.14 C ATOM 1415 C GLY A 96 68.330 14.166 -4.968 1.00 0.14 C ATOM 1416 O GLY A 96 67.473 13.531 -4.385 1.00 0.16 O ATOM 0 H GLY A 96 70.662 16.127 -5.059 1.00 0.13 H new ATOM 0 HA2 GLY A 96 68.947 15.653 -3.528 1.00 0.14 H new ATOM 0 HA3 GLY A 96 67.736 16.220 -4.662 1.00 0.14 H new ATOM 1420 N THR A 97 69.028 13.638 -5.941 1.00 0.13 N ATOM 1421 CA THR A 97 68.786 12.220 -6.376 1.00 0.15 C ATOM 1422 C THR A 97 70.066 11.405 -6.164 1.00 0.14 C ATOM 1423 O THR A 97 71.156 11.864 -6.445 1.00 0.16 O ATOM 1424 CB THR A 97 68.389 12.214 -7.860 1.00 0.19 C ATOM 1425 OG1 THR A 97 67.105 12.806 -7.996 1.00 0.21 O ATOM 1426 CG2 THR A 97 68.345 10.778 -8.400 1.00 0.23 C ATOM 0 H THR A 97 69.759 14.127 -6.458 1.00 0.13 H new ATOM 0 HA THR A 97 67.982 11.776 -5.790 1.00 0.15 H new ATOM 0 HB THR A 97 69.128 12.779 -8.428 1.00 0.19 H new ATOM 0 HG1 THR A 97 66.844 12.808 -8.941 1.00 0.21 H new ATOM 0 HG21 THR A 97 68.062 10.794 -9.453 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.328 10.320 -8.295 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.613 10.199 -7.836 1.00 0.23 H new ATOM 1434 N LEU A 98 69.949 10.202 -5.655 1.00 0.14 N ATOM 1435 CA LEU A 98 71.168 9.374 -5.413 1.00 0.14 C ATOM 1436 C LEU A 98 71.592 8.686 -6.709 1.00 0.14 C ATOM 1437 O LEU A 98 70.772 8.180 -7.450 1.00 0.15 O ATOM 1438 CB LEU A 98 70.872 8.284 -4.378 1.00 0.15 C ATOM 1439 CG LEU A 98 70.421 8.879 -3.035 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.280 7.724 -2.034 1.00 0.19 C ATOM 1441 CD2 LEU A 98 71.459 9.900 -2.532 1.00 0.21 C ATOM 0 H LEU A 98 69.066 9.761 -5.398 1.00 0.14 H new ATOM 0 HA LEU A 98 71.959 10.031 -5.051 1.00 0.14 H new ATOM 0 HB2 LEU A 98 70.096 7.621 -4.760 1.00 0.15 H new ATOM 0 HB3 LEU A 98 71.764 7.676 -4.225 1.00 0.15 H new ATOM 0 HG LEU A 98 69.469 9.398 -3.149 1.00 0.18 H new ATOM 0 HD11 LEU A 98 69.960 8.116 -1.069 1.00 0.19 H new ATOM 0 HD12 LEU A 98 69.539 7.013 -2.400 1.00 0.19 H new ATOM 0 HD13 LEU A 98 71.240 7.221 -1.921 1.00 0.19 H new ATOM 0 HD21 LEU A 98 71.129 10.315 -1.580 1.00 0.21 H new ATOM 0 HD22 LEU A 98 72.421 9.405 -2.398 1.00 0.21 H new ATOM 0 HD23 LEU A 98 71.563 10.703 -3.262 1.00 0.21 H new ATOM 1453 N LYS A 99 72.874 8.648 -6.971 1.00 0.14 N ATOM 1454 CA LYS A 99 73.386 7.977 -8.205 1.00 0.14 C ATOM 1455 C LYS A 99 74.782 7.406 -7.928 1.00 0.14 C ATOM 1456 O LYS A 99 75.654 8.094 -7.426 1.00 0.14 O ATOM 1457 CB LYS A 99 73.475 9.000 -9.343 1.00 0.16 C ATOM 1458 CG LYS A 99 72.078 9.284 -9.897 1.00 0.18 C ATOM 1459 CD LYS A 99 72.163 10.310 -11.034 1.00 0.21 C ATOM 1460 CE LYS A 99 70.746 10.712 -11.500 1.00 0.31 C ATOM 1461 NZ LYS A 99 70.707 10.741 -12.989 1.00 1.49 N ATOM 0 H LYS A 99 73.595 9.057 -6.377 1.00 0.14 H new ATOM 0 HA LYS A 99 72.709 7.172 -8.490 1.00 0.14 H new ATOM 0 HB2 LYS A 99 73.926 9.923 -8.979 1.00 0.16 H new ATOM 0 HB3 LYS A 99 74.120 8.620 -10.136 1.00 0.16 H new ATOM 0 HG2 LYS A 99 71.628 8.361 -10.262 1.00 0.18 H new ATOM 0 HG3 LYS A 99 71.433 9.661 -9.103 1.00 0.18 H new ATOM 0 HD2 LYS A 99 72.706 11.193 -10.697 1.00 0.21 H new ATOM 0 HD3 LYS A 99 72.723 9.891 -11.870 1.00 0.21 H new ATOM 0 HE2 LYS A 99 70.011 10.003 -11.119 1.00 0.31 H new ATOM 0 HE3 LYS A 99 70.483 11.691 -11.099 1.00 0.31 H new ATOM 0 HZ1 LYS A 99 69.754 11.011 -13.306 1.00 1.49 H new ATOM 0 HZ2 LYS A 99 71.399 11.433 -13.341 1.00 1.49 H new ATOM 0 HZ3 LYS A 99 70.941 9.798 -13.361 1.00 1.49 H new ATOM 1475 N TYR A 100 75.011 6.163 -8.255 1.00 0.15 N ATOM 1476 CA TYR A 100 76.353 5.546 -8.027 1.00 0.15 C ATOM 1477 C TYR A 100 77.360 6.168 -9.003 1.00 0.15 C ATOM 1478 O TYR A 100 77.058 6.391 -10.159 1.00 0.15 O ATOM 1479 CB TYR A 100 76.252 4.044 -8.317 1.00 0.16 C ATOM 1480 CG TYR A 100 77.623 3.413 -8.247 1.00 0.15 C ATOM 1481 CD1 TYR A 100 78.472 3.452 -9.371 1.00 0.16 C ATOM 1482 CD2 TYR A 100 78.054 2.784 -7.061 1.00 0.16 C ATOM 1483 CE1 TYR A 100 79.749 2.863 -9.311 1.00 0.18 C ATOM 1484 CE2 TYR A 100 79.333 2.194 -7.002 1.00 0.18 C ATOM 1485 CZ TYR A 100 80.180 2.234 -8.127 1.00 0.18 C ATOM 1486 OH TYR A 100 81.431 1.655 -8.070 1.00 0.21 O ATOM 0 H TYR A 100 74.320 5.541 -8.675 1.00 0.15 H new ATOM 0 HA TYR A 100 76.676 5.716 -7.000 1.00 0.15 H new ATOM 0 HB2 TYR A 100 75.587 3.570 -7.596 1.00 0.16 H new ATOM 0 HB3 TYR A 100 75.818 3.884 -9.304 1.00 0.16 H new ATOM 0 HD1 TYR A 100 78.143 3.934 -10.279 1.00 0.16 H new ATOM 0 HD2 TYR A 100 77.405 2.754 -6.198 1.00 0.16 H new ATOM 0 HE1 TYR A 100 80.399 2.893 -10.173 1.00 0.18 H new ATOM 0 HE2 TYR A 100 79.664 1.711 -6.094 1.00 0.18 H new ATOM 0 HH TYR A 100 81.571 1.266 -7.182 1.00 0.21 H new ATOM 1496 N GLU A 101 78.561 6.437 -8.554 1.00 0.16 N ATOM 1497 CA GLU A 101 79.593 7.031 -9.461 1.00 0.18 C ATOM 1498 C GLU A 101 80.976 6.496 -9.079 1.00 0.25 C ATOM 1499 O GLU A 101 81.809 6.378 -9.963 1.00 1.08 O ATOM 1500 CB GLU A 101 79.578 8.560 -9.332 1.00 0.22 C ATOM 1501 CG GLU A 101 79.935 8.976 -7.900 1.00 0.32 C ATOM 1502 CD GLU A 101 79.882 10.501 -7.787 1.00 0.41 C ATOM 1503 OE1 GLU A 101 79.582 11.138 -8.782 1.00 0.79 O ATOM 1504 OE2 GLU A 101 80.153 11.005 -6.710 1.00 0.54 O ATOM 1505 OXT GLU A 101 81.177 6.214 -7.909 1.00 1.09 O ATOM 0 H GLU A 101 78.872 6.271 -7.597 1.00 0.16 H new ATOM 0 HA GLU A 101 79.369 6.756 -10.492 1.00 0.18 H new ATOM 0 HB2 GLU A 101 80.288 8.998 -10.033 1.00 0.22 H new ATOM 0 HB3 GLU A 101 78.592 8.944 -9.595 1.00 0.22 H new ATOM 0 HG2 GLU A 101 79.239 8.523 -7.194 1.00 0.32 H new ATOM 0 HG3 GLU A 101 80.931 8.615 -7.642 1.00 0.32 H new TER 1512 GLU A 101 CONECT 118 312 CONECT 312 118 CONECT 848 1054 CONECT 1054 848 END