USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) HEADER ZN-BINDING PROTEIN 13-MAY-97 1WJC TITLE SOLUTION STRUCTURE OF THE N-TERMINAL ZN BINDING DOMAIN OF TITLE 2 HIV-1 INTEGRASE (E FORM), NMR, REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 INTEGRASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: POTENTIAL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ZN-BINDING PROTEIN, AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL KEYWDS 2 PROTEASE, ENDONUCLEASE EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.CAI,M.CAFFREY,A.M.GRONENBORN REVDAT 2 24-FEB-09 1WJC 1 VERSN REVDAT 1 13-MAY-98 1WJC 0 JRNL AUTH M.CAI,R.ZHENG,M.CAFFREY,R.CRAIGIE,G.M.CLORE, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE OF THE N-TERMINAL ZINC BINDING JRNL TITL 2 DOMAIN OF HIV-1 INTEGRASE. JRNL REF NAT.STRUCT.BIOL. V. 4 567 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9228950 JRNL DOI 10.1038/NSB0797-567 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129 - 136 USING THE PROGRAM XPLOR 3.1 (BRUNGER) REMARK 3 MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. REMARK 3 (1984) J. MAGN RESON. SERIES B 104, 99 - 103), CARBON REMARK 3 CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. REMARK 3 SERIES B 106, 92 - 96) RESTRAINTS AND A CONFORMATIONAL REMARK 3 DATABASE POTENTIAL (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, REMARK 3 1067 - 1080 AND (1997) J. MAGN. RESON. 125, 171-177). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 REMARK 3 INTEGRASE WAS SOLVED BY REMARK 3 MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR REMARK 3 IS BASED ON 851 EXPERIMENTAL RESTRAINTS (PER MONOMER): REMARK 3 (A) INTRASUBUNIT: 201 SEQUENTIAL (|I-J|=1), 224 MEDIUM REMARK 3 RANGE (1 < |I-J| >=5) AND 98 LONG RANGE (|I-J| >5) REMARK 3 INTERRESIDUE, AND 17 INTRARESIDUE APPROXIMATE INTERPROTON REMARK 3 DISTANCE RESTRAINTS; 32 DISTANCE RESTRAINTS FOR 16 REMARK 3 HYDROGEN BONDS; 91 TORSION ANGLE (45 PHI, 1 PSI, 31 CHI1 REMARK 3 AND 14 CHI2) RESTRAINTS; 40 THREE-BOND HN-HA COUPLING REMARK 3 CONSTANT RESTRAINTS; 97 (50 CALPHA AND 47 CBETA) 13C REMARK 3 SHIFT RESTRAINTS. REMARK 3 (B) 28 INTERSUBUNIT INTERPROTON DISTANCE RESTRAINTS. REMARK 3 (C) 23 AMBIGUOUS INTERPROTON DISTANCE RESTRAINTS THAT CAN REMARK 3 ARISE FROM INTRA AND/OR INTERSUBUNIT INTERACTIONS. REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE AND THE LAST NUMERIC COLUMN REPRESENTS THE REMARK 3 RMS OF THE 38 INDIVIDUAL SIMULATED ANNEALING STRUCTURES REMARK 3 FOUND IN RELATED PDB ENTRY ABOUT THE MEAN COORDINATE REMARK 3 POSITIONS. THE LAST NUMERIC COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. THE LAST LETTER COLUMN REMARK 3 SIGNIFIES THE SUBUNIT (A OR B). REMARK 4 REMARK 4 1WJC 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) : 293 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX600, DMX500, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR MODIFIED MODIFIED REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 GLN A 44 -70.87 -78.45 REMARK 500 GLN B 44 -71.01 -78.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 56 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 12 NE2 REMARK 620 2 HIS A 16 ND1 108.8 REMARK 620 3 CYS A 40 SG 109.1 109.5 REMARK 620 4 CYS A 43 SG 109.7 110.6 109.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 56 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 12 NE2 REMARK 620 2 HIS B 16 ND1 108.8 REMARK 620 3 CYS B 40 SG 109.0 109.5 REMARK 620 4 CYS B 43 SG 109.7 110.6 109.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 56 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 56 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1WJD RELATED DB: PDB DBREF 1WJC A 1 47 UNP P35963 POL_HV1Y2 716 762 DBREF 1WJC B 1 47 UNP P35963 POL_HV1Y2 716 762 SEQRES 1 A 47 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU HIS GLU SEQRES 2 A 47 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 A 47 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 A 47 CYS ASP LYS CYS GLN LEU LYS GLY SEQRES 1 B 47 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU HIS GLU SEQRES 2 B 47 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 B 47 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 B 47 CYS ASP LYS CYS GLN LEU LYS GLY HET ZN A 56 1 HET ZN B 56 1 HETNAM ZN ZINC ION FORMUL 3 ZN 2(ZN 2+) HELIX 1 1 LEU A 2 TYR A 15 1 14 HELIX 2 2 TRP A 19 PHE A 26 1 8 HELIX 3 3 PRO A 30 SER A 39 1 10 HELIX 4 4 ASP A 41 GLN A 44 1 4 HELIX 5 5 LEU B 2 TYR B 15 1 14 HELIX 6 6 TRP B 19 PHE B 26 1 8 HELIX 7 7 PRO B 30 SER B 39 1 10 HELIX 8 8 ASP B 41 GLN B 44 1 4 LINK ZN ZN A 56 NE2 HIS A 12 1555 1555 1.99 LINK ZN ZN A 56 ND1 HIS A 16 1555 1555 2.01 LINK ZN ZN A 56 SG CYS A 40 1555 1555 2.29 LINK ZN ZN A 56 SG CYS A 43 1555 1555 2.30 LINK ZN ZN B 56 NE2 HIS B 12 1555 1555 1.99 LINK ZN ZN B 56 ND1 HIS B 16 1555 1555 2.01 LINK ZN ZN B 56 SG CYS B 40 1555 1555 2.29 LINK ZN ZN B 56 SG CYS B 43 1555 1555 2.30 SITE *** AC1 4 HIS A 12 HIS A 16 CYS A 40 CYS A 43 SITE *** AC2 4 HIS B 12 HIS B 16 CYS B 40 CYS B 43 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -1.69! C(o=-4.3!,f=-4.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.6! X(o=-4.3!,f=-4.2) USER MOD Single : A 1 PHE N :NH3+ 160:sc= 0.715 (180deg=0.225) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.449 USER MOD Single : A 17 SER OG : rot 180:sc= -0.626 USER MOD Single : A 18 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.7!) USER MOD Single : A 22 MET CE :methyl -163:sc= -0.719 (180deg=-1.95) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 81:sc= 0.81 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.733 (180deg=0.283) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.433 USER MOD Single : B 17 SER OG : rot 180:sc= -0.631 USER MOD Single : B 18 ASN : amide:sc=-0.00514 K(o=-0.0051,f=-1.7!) USER MOD Single : B 22 MET CE :methyl -166:sc= -0.701 (180deg=-2.02) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.7!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 81:sc= 0.81 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.130 -3.686 24.047 1.00 0.37 N ATOM 2 CA PHE A 1 94.424 -4.238 25.238 1.00 0.30 C ATOM 3 C PHE A 1 94.022 -3.098 26.176 1.00 0.28 C ATOM 4 O PHE A 1 92.855 -2.833 26.389 1.00 0.34 O ATOM 5 CB PHE A 1 95.352 -5.191 25.999 1.00 0.25 C ATOM 6 CG PHE A 1 95.539 -6.474 25.223 1.00 0.26 C ATOM 7 CD1 PHE A 1 96.464 -6.527 24.162 1.00 0.31 C ATOM 8 CD2 PHE A 1 94.795 -7.621 25.567 1.00 0.24 C ATOM 9 CE1 PHE A 1 96.646 -7.727 23.447 1.00 0.34 C ATOM 10 CE2 PHE A 1 94.976 -8.818 24.849 1.00 0.27 C ATOM 11 CZ PHE A 1 95.902 -8.872 23.790 1.00 0.31 C ATOM 0 H1 PHE A 1 95.688 -4.438 23.595 1.00 0.37 H new ATOM 0 H2 PHE A 1 94.432 -3.317 23.370 1.00 0.37 H new ATOM 0 H3 PHE A 1 95.763 -2.917 24.345 1.00 0.37 H new ATOM 0 HA PHE A 1 93.537 -4.774 24.901 1.00 0.30 H new ATOM 0 HB2 PHE A 1 96.318 -4.714 26.164 1.00 0.25 H new ATOM 0 HB3 PHE A 1 94.933 -5.410 26.981 1.00 0.25 H new ATOM 0 HD1 PHE A 1 97.033 -5.648 23.897 1.00 0.31 H new ATOM 0 HD2 PHE A 1 94.086 -7.581 26.381 1.00 0.24 H new ATOM 0 HE1 PHE A 1 97.357 -7.769 22.635 1.00 0.34 H new ATOM 0 HE2 PHE A 1 94.404 -9.696 25.111 1.00 0.27 H new ATOM 0 HZ PHE A 1 96.042 -9.791 23.241 1.00 0.31 H new ATOM 23 N LEU A 2 94.987 -2.440 26.757 1.00 0.23 N ATOM 24 CA LEU A 2 94.680 -1.335 27.708 1.00 0.25 C ATOM 25 C LEU A 2 94.155 -0.109 26.955 1.00 0.26 C ATOM 26 O LEU A 2 93.338 0.628 27.463 1.00 0.28 O ATOM 27 CB LEU A 2 95.959 -0.952 28.462 1.00 0.26 C ATOM 28 CG LEU A 2 96.644 -2.214 29.015 1.00 0.27 C ATOM 29 CD1 LEU A 2 97.857 -1.827 29.902 1.00 0.36 C ATOM 30 CD2 LEU A 2 95.631 -3.031 29.832 1.00 0.33 C ATOM 0 H LEU A 2 95.980 -2.621 26.613 1.00 0.23 H new ATOM 0 HA LEU A 2 93.916 -1.673 28.408 1.00 0.25 H new ATOM 0 HB2 LEU A 2 96.639 -0.422 27.795 1.00 0.26 H new ATOM 0 HB3 LEU A 2 95.719 -0.271 29.279 1.00 0.26 H new ATOM 0 HG LEU A 2 97.005 -2.816 28.182 1.00 0.27 H new ATOM 0 HD11 LEU A 2 98.330 -2.731 30.285 1.00 0.36 H new ATOM 0 HD12 LEU A 2 98.577 -1.264 29.308 1.00 0.36 H new ATOM 0 HD13 LEU A 2 97.517 -1.214 30.736 1.00 0.36 H new ATOM 0 HD21 LEU A 2 96.116 -3.925 30.224 1.00 0.33 H new ATOM 0 HD22 LEU A 2 95.260 -2.427 30.660 1.00 0.33 H new ATOM 0 HD23 LEU A 2 94.797 -3.321 29.192 1.00 0.33 H new ATOM 42 N ASP A 3 94.625 0.128 25.762 1.00 0.29 N ATOM 43 CA ASP A 3 94.158 1.329 25.002 1.00 0.32 C ATOM 44 C ASP A 3 92.650 1.232 24.718 1.00 0.29 C ATOM 45 O ASP A 3 91.879 2.083 25.118 1.00 0.30 O ATOM 46 CB ASP A 3 94.939 1.413 23.665 1.00 0.39 C ATOM 47 CG ASP A 3 96.130 2.379 23.775 1.00 1.48 C ATOM 48 OD1 ASP A 3 96.440 2.801 24.877 1.00 2.31 O ATOM 49 OD2 ASP A 3 96.714 2.678 22.746 1.00 2.15 O ATOM 0 H ASP A 3 95.310 -0.453 25.279 1.00 0.29 H new ATOM 0 HA ASP A 3 94.340 2.224 25.596 1.00 0.32 H new ATOM 0 HB2 ASP A 3 95.296 0.422 23.387 1.00 0.39 H new ATOM 0 HB3 ASP A 3 94.270 1.745 22.871 1.00 0.39 H new ATOM 54 N GLY A 4 92.229 0.219 24.019 1.00 0.31 N ATOM 55 CA GLY A 4 90.777 0.091 23.693 1.00 0.32 C ATOM 56 C GLY A 4 89.949 0.006 24.977 1.00 0.26 C ATOM 57 O GLY A 4 88.910 0.624 25.101 1.00 0.25 O ATOM 0 H GLY A 4 92.823 -0.527 23.658 1.00 0.31 H new ATOM 0 HA2 GLY A 4 90.454 0.947 23.100 1.00 0.32 H new ATOM 0 HA3 GLY A 4 90.611 -0.799 23.086 1.00 0.32 H new ATOM 61 N ILE A 5 90.395 -0.763 25.926 1.00 0.23 N ATOM 62 CA ILE A 5 89.635 -0.906 27.199 1.00 0.20 C ATOM 63 C ILE A 5 89.493 0.446 27.890 1.00 0.19 C ATOM 64 O ILE A 5 88.458 0.759 28.444 1.00 0.19 O ATOM 65 CB ILE A 5 90.369 -1.896 28.104 1.00 0.23 C ATOM 66 CG1 ILE A 5 90.230 -3.289 27.484 1.00 0.28 C ATOM 67 CG2 ILE A 5 89.744 -1.892 29.505 1.00 0.26 C ATOM 68 CD1 ILE A 5 91.186 -4.294 28.148 1.00 0.35 C ATOM 0 H ILE A 5 91.259 -1.303 25.876 1.00 0.23 H new ATOM 0 HA ILE A 5 88.633 -1.280 26.987 1.00 0.20 H new ATOM 0 HB ILE A 5 91.419 -1.617 28.194 1.00 0.23 H new ATOM 0 HG12 ILE A 5 89.202 -3.636 27.591 1.00 0.28 H new ATOM 0 HG13 ILE A 5 90.439 -3.236 26.416 1.00 0.28 H new ATOM 0 HG21 ILE A 5 90.274 -2.600 30.142 1.00 0.26 H new ATOM 0 HG22 ILE A 5 89.818 -0.893 29.934 1.00 0.26 H new ATOM 0 HG23 ILE A 5 88.695 -2.180 29.436 1.00 0.26 H new ATOM 0 HD11 ILE A 5 91.063 -5.273 27.686 1.00 0.35 H new ATOM 0 HD12 ILE A 5 92.215 -3.958 28.018 1.00 0.35 H new ATOM 0 HD13 ILE A 5 90.959 -4.364 29.212 1.00 0.35 H new ATOM 80 N ASP A 6 90.514 1.251 27.876 1.00 0.22 N ATOM 81 CA ASP A 6 90.407 2.572 28.552 1.00 0.24 C ATOM 82 C ASP A 6 89.175 3.295 27.996 1.00 0.24 C ATOM 83 O ASP A 6 88.368 3.823 28.735 1.00 0.24 O ATOM 84 CB ASP A 6 91.695 3.386 28.283 1.00 0.29 C ATOM 85 CG ASP A 6 92.117 4.170 29.534 1.00 1.12 C ATOM 86 OD1 ASP A 6 92.001 3.625 30.619 1.00 1.84 O ATOM 87 OD2 ASP A 6 92.564 5.294 29.380 1.00 1.87 O ATOM 0 H ASP A 6 91.411 1.056 27.431 1.00 0.22 H new ATOM 0 HA ASP A 6 90.298 2.452 29.630 1.00 0.24 H new ATOM 0 HB2 ASP A 6 92.499 2.714 27.981 1.00 0.29 H new ATOM 0 HB3 ASP A 6 91.528 4.076 27.455 1.00 0.29 H new ATOM 92 N LYS A 7 89.009 3.296 26.701 1.00 0.25 N ATOM 93 CA LYS A 7 87.810 3.958 26.107 1.00 0.27 C ATOM 94 C LYS A 7 86.561 3.159 26.472 1.00 0.23 C ATOM 95 O LYS A 7 85.576 3.692 26.944 1.00 0.25 O ATOM 96 CB LYS A 7 87.918 3.972 24.576 1.00 0.31 C ATOM 97 CG LYS A 7 88.835 5.098 24.096 1.00 0.92 C ATOM 98 CD LYS A 7 88.810 5.133 22.551 1.00 1.00 C ATOM 99 CE LYS A 7 89.314 6.486 22.007 1.00 1.69 C ATOM 100 NZ LYS A 7 90.761 6.377 21.679 1.00 2.39 N ATOM 0 H LYS A 7 89.648 2.869 26.030 1.00 0.25 H new ATOM 0 HA LYS A 7 87.751 4.977 26.491 1.00 0.27 H new ATOM 0 HB2 LYS A 7 88.302 3.013 24.227 1.00 0.31 H new ATOM 0 HB3 LYS A 7 86.927 4.096 24.140 1.00 0.31 H new ATOM 0 HG2 LYS A 7 88.503 6.054 24.501 1.00 0.92 H new ATOM 0 HG3 LYS A 7 89.852 4.936 24.454 1.00 0.92 H new ATOM 0 HD2 LYS A 7 89.431 4.328 22.158 1.00 1.00 H new ATOM 0 HD3 LYS A 7 87.794 4.954 22.198 1.00 1.00 H new ATOM 0 HE2 LYS A 7 88.748 6.767 21.119 1.00 1.69 H new ATOM 0 HE3 LYS A 7 89.155 7.270 22.747 1.00 1.69 H new ATOM 0 HZ1 LYS A 7 91.103 7.288 21.312 1.00 2.39 H new ATOM 0 HZ2 LYS A 7 91.294 6.127 22.537 1.00 2.39 H new ATOM 0 HZ3 LYS A 7 90.899 5.640 20.959 1.00 2.39 H new ATOM 114 N ALA A 8 86.596 1.882 26.225 1.00 0.21 N ATOM 115 CA ALA A 8 85.417 1.031 26.515 1.00 0.20 C ATOM 116 C ALA A 8 85.103 1.098 28.010 1.00 0.17 C ATOM 117 O ALA A 8 83.958 1.040 28.413 1.00 0.17 O ATOM 118 CB ALA A 8 85.725 -0.419 26.077 1.00 0.21 C ATOM 0 H ALA A 8 87.398 1.389 25.832 1.00 0.21 H new ATOM 0 HA ALA A 8 84.545 1.385 25.964 1.00 0.20 H new ATOM 0 HB1 ALA A 8 84.863 -1.053 26.286 1.00 0.21 H new ATOM 0 HB2 ALA A 8 85.939 -0.439 25.008 1.00 0.21 H new ATOM 0 HB3 ALA A 8 86.590 -0.789 26.627 1.00 0.21 H new ATOM 124 N GLN A 9 86.101 1.214 28.837 1.00 0.17 N ATOM 125 CA GLN A 9 85.828 1.278 30.293 1.00 0.18 C ATOM 126 C GLN A 9 84.938 2.486 30.587 1.00 0.18 C ATOM 127 O GLN A 9 84.002 2.405 31.358 1.00 0.19 O ATOM 128 CB GLN A 9 87.139 1.410 31.063 1.00 0.20 C ATOM 129 CG GLN A 9 86.862 1.205 32.550 1.00 0.22 C ATOM 130 CD GLN A 9 88.139 1.461 33.351 1.00 0.77 C ATOM 131 OE1 GLN A 9 89.193 1.673 32.785 1.00 1.40 O ATOM 132 NE2 GLN A 9 88.089 1.449 34.655 1.00 1.19 N ATOM 0 H GLN A 9 87.084 1.267 28.570 1.00 0.17 H new ATOM 0 HA GLN A 9 85.322 0.364 30.606 1.00 0.18 H new ATOM 0 HB2 GLN A 9 87.860 0.673 30.709 1.00 0.20 H new ATOM 0 HB3 GLN A 9 87.578 2.393 30.893 1.00 0.20 H new ATOM 0 HG2 GLN A 9 86.073 1.881 32.879 1.00 0.22 H new ATOM 0 HG3 GLN A 9 86.507 0.190 32.727 1.00 0.22 H new ATOM 0 HE21 GLN A 9 87.204 1.271 35.130 1.00 1.19 H new ATOM 0 HE22 GLN A 9 88.935 1.618 35.199 1.00 1.19 H new ATOM 141 N GLU A 10 85.215 3.608 29.977 1.00 0.20 N ATOM 142 CA GLU A 10 84.370 4.810 30.229 1.00 0.22 C ATOM 143 C GLU A 10 82.938 4.520 29.778 1.00 0.20 C ATOM 144 O GLU A 10 81.986 4.870 30.447 1.00 0.20 O ATOM 145 CB GLU A 10 84.927 6.006 29.452 1.00 0.25 C ATOM 146 CG GLU A 10 84.155 7.269 29.841 1.00 0.28 C ATOM 147 CD GLU A 10 84.860 8.498 29.264 1.00 1.04 C ATOM 148 OE1 GLU A 10 85.982 8.353 28.807 1.00 1.76 O ATOM 149 OE2 GLU A 10 84.267 9.564 29.292 1.00 1.69 O ATOM 0 H GLU A 10 85.984 3.743 29.320 1.00 0.20 H new ATOM 0 HA GLU A 10 84.376 5.045 31.293 1.00 0.22 H new ATOM 0 HB2 GLU A 10 85.987 6.133 29.670 1.00 0.25 H new ATOM 0 HB3 GLU A 10 84.841 5.829 28.380 1.00 0.25 H new ATOM 0 HG2 GLU A 10 83.133 7.213 29.465 1.00 0.28 H new ATOM 0 HG3 GLU A 10 84.092 7.349 30.926 1.00 0.28 H new ATOM 156 N GLU A 11 82.773 3.868 28.657 1.00 0.18 N ATOM 157 CA GLU A 11 81.396 3.546 28.189 1.00 0.17 C ATOM 158 C GLU A 11 80.732 2.657 29.236 1.00 0.15 C ATOM 159 O GLU A 11 79.568 2.807 29.546 1.00 0.15 O ATOM 160 CB GLU A 11 81.464 2.818 26.839 1.00 0.17 C ATOM 161 CG GLU A 11 80.049 2.484 26.341 1.00 0.27 C ATOM 162 CD GLU A 11 79.280 3.765 26.050 1.00 1.68 C ATOM 163 OE1 GLU A 11 79.909 4.804 25.940 1.00 2.50 O ATOM 164 OE2 GLU A 11 78.065 3.688 25.949 1.00 2.41 O ATOM 0 H GLU A 11 83.527 3.547 28.050 1.00 0.18 H new ATOM 0 HA GLU A 11 80.816 4.460 28.057 1.00 0.17 H new ATOM 0 HB2 GLU A 11 81.977 3.442 26.107 1.00 0.17 H new ATOM 0 HB3 GLU A 11 82.047 1.902 26.941 1.00 0.17 H new ATOM 0 HG2 GLU A 11 80.107 1.873 25.440 1.00 0.27 H new ATOM 0 HG3 GLU A 11 79.520 1.896 27.091 1.00 0.27 H new ATOM 171 N HIS A 12 81.465 1.733 29.792 1.00 0.15 N ATOM 172 CA HIS A 12 80.867 0.846 30.825 1.00 0.15 C ATOM 173 C HIS A 12 80.380 1.685 32.005 1.00 0.17 C ATOM 174 O HIS A 12 79.284 1.521 32.485 1.00 0.18 O ATOM 175 CB HIS A 12 81.900 -0.157 31.344 1.00 0.16 C ATOM 176 CG HIS A 12 81.208 -1.033 32.344 1.00 0.16 C ATOM 177 ND1 HIS A 12 80.859 -2.362 32.068 1.00 0.18 N ATOM 178 CD2 HIS A 12 80.680 -0.751 33.578 1.00 0.17 C ATOM 179 CE1 HIS A 12 80.138 -2.816 33.115 1.00 0.19 C ATOM 180 NE2 HIS A 12 80.016 -1.868 34.032 1.00 0.18 N ATOM 0 H HIS A 12 82.446 1.555 29.577 1.00 0.15 H new ATOM 0 HA HIS A 12 80.036 0.309 30.368 1.00 0.15 H new ATOM 0 HB2 HIS A 12 82.302 -0.753 30.525 1.00 0.16 H new ATOM 0 HB3 HIS A 12 82.741 0.361 31.804 1.00 0.16 H new ATOM 0 HD1 HIS A 12 81.105 -2.889 31.230 1.00 0.18 H new ATOM 0 HD2 HIS A 12 80.770 0.188 34.104 1.00 0.17 H new ATOM 0 HE1 HIS A 12 79.721 -3.809 33.194 1.00 0.19 H new ATOM 188 N GLU A 13 81.202 2.562 32.494 1.00 0.18 N ATOM 189 CA GLU A 13 80.798 3.389 33.665 1.00 0.21 C ATOM 190 C GLU A 13 79.558 4.221 33.331 1.00 0.22 C ATOM 191 O GLU A 13 78.673 4.391 34.146 1.00 0.24 O ATOM 192 CB GLU A 13 81.952 4.325 34.035 1.00 0.25 C ATOM 193 CG GLU A 13 81.567 5.151 35.263 1.00 0.29 C ATOM 194 CD GLU A 13 82.817 5.807 35.851 1.00 1.14 C ATOM 195 OE1 GLU A 13 83.886 5.599 35.301 1.00 1.85 O ATOM 196 OE2 GLU A 13 82.685 6.504 36.844 1.00 1.85 O ATOM 0 H GLU A 13 82.139 2.745 32.135 1.00 0.18 H new ATOM 0 HA GLU A 13 80.563 2.731 34.502 1.00 0.21 H new ATOM 0 HB2 GLU A 13 82.852 3.746 34.241 1.00 0.25 H new ATOM 0 HB3 GLU A 13 82.182 4.984 33.198 1.00 0.25 H new ATOM 0 HG2 GLU A 13 80.839 5.914 34.987 1.00 0.29 H new ATOM 0 HG3 GLU A 13 81.093 4.513 36.009 1.00 0.29 H new ATOM 203 N LYS A 14 79.502 4.761 32.150 1.00 0.21 N ATOM 204 CA LYS A 14 78.340 5.611 31.764 1.00 0.22 C ATOM 205 C LYS A 14 77.017 4.828 31.794 1.00 0.22 C ATOM 206 O LYS A 14 75.996 5.366 32.174 1.00 0.27 O ATOM 207 CB LYS A 14 78.575 6.164 30.357 1.00 0.23 C ATOM 208 CG LYS A 14 79.704 7.197 30.400 1.00 0.25 C ATOM 209 CD LYS A 14 80.122 7.578 28.970 1.00 0.33 C ATOM 210 CE LYS A 14 79.033 8.424 28.273 1.00 0.94 C ATOM 211 NZ LYS A 14 79.655 9.672 27.746 1.00 1.56 N ATOM 0 H LYS A 14 80.215 4.651 31.428 1.00 0.21 H new ATOM 0 HA LYS A 14 78.258 6.422 32.488 1.00 0.22 H new ATOM 0 HB2 LYS A 14 78.833 5.354 29.674 1.00 0.23 H new ATOM 0 HB3 LYS A 14 77.662 6.622 29.977 1.00 0.23 H new ATOM 0 HG2 LYS A 14 79.376 8.085 30.941 1.00 0.25 H new ATOM 0 HG3 LYS A 14 80.559 6.792 30.942 1.00 0.25 H new ATOM 0 HD2 LYS A 14 81.057 8.138 28.999 1.00 0.33 H new ATOM 0 HD3 LYS A 14 80.309 6.674 28.391 1.00 0.33 H new ATOM 0 HE2 LYS A 14 78.578 7.857 27.461 1.00 0.94 H new ATOM 0 HE3 LYS A 14 78.237 8.668 28.977 1.00 0.94 H new ATOM 0 HZ1 LYS A 14 78.930 10.249 27.274 1.00 1.56 H new ATOM 0 HZ2 LYS A 14 80.070 10.212 28.532 1.00 1.56 H new ATOM 0 HZ3 LYS A 14 80.400 9.427 27.063 1.00 1.56 H new ATOM 225 N TYR A 15 77.005 3.588 31.352 1.00 0.19 N ATOM 226 CA TYR A 15 75.711 2.810 31.311 1.00 0.20 C ATOM 227 C TYR A 15 75.842 1.409 31.929 1.00 0.19 C ATOM 228 O TYR A 15 74.891 0.652 31.942 1.00 0.22 O ATOM 229 CB TYR A 15 75.306 2.655 29.843 1.00 0.21 C ATOM 230 CG TYR A 15 75.561 3.955 29.124 1.00 0.21 C ATOM 231 CD1 TYR A 15 74.567 4.950 29.108 1.00 0.29 C ATOM 232 CD2 TYR A 15 76.796 4.177 28.479 1.00 0.21 C ATOM 233 CE1 TYR A 15 74.803 6.168 28.446 1.00 0.34 C ATOM 234 CE2 TYR A 15 77.032 5.394 27.818 1.00 0.27 C ATOM 235 CZ TYR A 15 76.035 6.392 27.800 1.00 0.33 C ATOM 236 OH TYR A 15 76.266 7.588 27.152 1.00 0.40 O ATOM 0 H TYR A 15 77.826 3.082 31.020 1.00 0.19 H new ATOM 0 HA TYR A 15 74.968 3.356 31.892 1.00 0.20 H new ATOM 0 HB2 TYR A 15 75.875 1.850 29.378 1.00 0.21 H new ATOM 0 HB3 TYR A 15 74.253 2.384 29.770 1.00 0.21 H new ATOM 0 HD1 TYR A 15 73.623 4.779 29.604 1.00 0.29 H new ATOM 0 HD2 TYR A 15 77.559 3.413 28.493 1.00 0.21 H new ATOM 0 HE1 TYR A 15 74.040 6.932 28.433 1.00 0.34 H new ATOM 0 HE2 TYR A 15 77.977 5.566 27.324 1.00 0.27 H new ATOM 0 HH TYR A 15 75.762 8.302 27.594 1.00 0.40 H new ATOM 246 N HIS A 16 76.995 1.028 32.396 1.00 0.18 N ATOM 247 CA HIS A 16 77.147 -0.351 32.952 1.00 0.18 C ATOM 248 C HIS A 16 76.616 -1.325 31.908 1.00 0.18 C ATOM 249 O HIS A 16 75.925 -2.277 32.214 1.00 0.21 O ATOM 250 CB HIS A 16 76.349 -0.526 34.251 1.00 0.22 C ATOM 251 CG HIS A 16 77.001 0.219 35.387 1.00 0.22 C ATOM 252 ND1 HIS A 16 78.080 -0.274 36.107 1.00 0.22 N ATOM 253 CD2 HIS A 16 76.706 1.423 35.989 1.00 0.24 C ATOM 254 CE1 HIS A 16 78.401 0.584 37.079 1.00 0.24 C ATOM 255 NE2 HIS A 16 77.590 1.647 37.053 1.00 0.26 N ATOM 0 H HIS A 16 77.836 1.604 32.419 1.00 0.18 H new ATOM 0 HA HIS A 16 78.197 -0.534 33.180 1.00 0.18 H new ATOM 0 HB2 HIS A 16 75.331 -0.163 34.109 1.00 0.22 H new ATOM 0 HB3 HIS A 16 76.278 -1.585 34.499 1.00 0.22 H new ATOM 0 HD2 HIS A 16 75.914 2.092 35.687 1.00 0.24 H new ATOM 0 HE1 HIS A 16 79.204 0.439 37.787 1.00 0.24 H new ATOM 0 HE2 HIS A 16 77.611 2.453 37.678 1.00 0.26 H new ATOM 263 N SER A 17 76.915 -1.066 30.669 1.00 0.17 N ATOM 264 CA SER A 17 76.412 -1.939 29.583 1.00 0.19 C ATOM 265 C SER A 17 76.966 -3.354 29.744 1.00 0.19 C ATOM 266 O SER A 17 77.994 -3.567 30.356 1.00 0.19 O ATOM 267 CB SER A 17 76.847 -1.371 28.239 1.00 0.18 C ATOM 268 OG SER A 17 78.249 -1.535 28.090 1.00 0.20 O ATOM 0 H SER A 17 77.490 -0.281 30.362 1.00 0.17 H new ATOM 0 HA SER A 17 75.324 -1.979 29.632 1.00 0.19 H new ATOM 0 HB2 SER A 17 76.322 -1.879 27.430 1.00 0.18 H new ATOM 0 HB3 SER A 17 76.584 -0.315 28.176 1.00 0.18 H new ATOM 0 HG SER A 17 78.531 -1.172 27.225 1.00 0.20 H new ATOM 274 N ASN A 18 76.284 -4.323 29.199 1.00 0.21 N ATOM 275 CA ASN A 18 76.754 -5.730 29.315 1.00 0.23 C ATOM 276 C ASN A 18 77.966 -5.938 28.402 1.00 0.20 C ATOM 277 O ASN A 18 78.206 -5.171 27.491 1.00 0.19 O ATOM 278 CB ASN A 18 75.620 -6.675 28.919 1.00 0.28 C ATOM 279 CG ASN A 18 74.479 -6.531 29.929 1.00 0.32 C ATOM 280 OD1 ASN A 18 74.678 -6.023 31.016 1.00 1.06 O ATOM 281 ND2 ASN A 18 73.287 -6.962 29.621 1.00 1.11 N ATOM 0 H ASN A 18 75.417 -4.199 28.676 1.00 0.21 H new ATOM 0 HA ASN A 18 77.048 -5.941 30.343 1.00 0.23 H new ATOM 0 HB2 ASN A 18 75.267 -6.440 27.915 1.00 0.28 H new ATOM 0 HB3 ASN A 18 75.977 -7.705 28.898 1.00 0.28 H new ATOM 0 HD21 ASN A 18 72.523 -6.873 30.291 1.00 1.11 H new ATOM 0 HD22 ASN A 18 73.118 -7.388 28.710 1.00 1.11 H new ATOM 288 N TRP A 19 78.746 -6.953 28.655 1.00 0.20 N ATOM 289 CA TRP A 19 79.959 -7.189 27.820 1.00 0.18 C ATOM 290 C TRP A 19 79.580 -7.347 26.344 1.00 0.19 C ATOM 291 O TRP A 19 80.367 -7.056 25.465 1.00 0.19 O ATOM 292 CB TRP A 19 80.692 -8.442 28.313 1.00 0.20 C ATOM 293 CG TRP A 19 79.908 -9.672 27.985 1.00 0.23 C ATOM 294 CD1 TRP A 19 79.072 -10.314 28.835 1.00 0.27 C ATOM 295 CD2 TRP A 19 79.886 -10.425 26.739 1.00 0.25 C ATOM 296 NE1 TRP A 19 78.535 -11.414 28.189 1.00 0.31 N ATOM 297 CE2 TRP A 19 79.003 -11.527 26.895 1.00 0.30 C ATOM 298 CE3 TRP A 19 80.539 -10.260 25.495 1.00 0.26 C ATOM 299 CZ2 TRP A 19 78.777 -12.437 25.852 1.00 0.34 C ATOM 300 CZ3 TRP A 19 80.314 -11.173 24.443 1.00 0.30 C ATOM 301 CH2 TRP A 19 79.435 -12.260 24.622 1.00 0.35 C ATOM 0 H TRP A 19 78.596 -7.629 29.404 1.00 0.20 H new ATOM 0 HA TRP A 19 80.619 -6.326 27.913 1.00 0.18 H new ATOM 0 HB2 TRP A 19 81.678 -8.499 27.852 1.00 0.20 H new ATOM 0 HB3 TRP A 19 80.847 -8.379 29.390 1.00 0.20 H new ATOM 0 HD1 TRP A 19 78.859 -10.016 29.851 1.00 0.27 H new ATOM 0 HE1 TRP A 19 77.874 -12.062 28.617 1.00 0.31 H new ATOM 0 HE3 TRP A 19 81.214 -9.430 25.350 1.00 0.26 H new ATOM 0 HZ2 TRP A 19 78.102 -13.268 25.993 1.00 0.34 H new ATOM 0 HZ3 TRP A 19 80.817 -11.038 23.497 1.00 0.30 H new ATOM 0 HH2 TRP A 19 79.267 -12.957 23.814 1.00 0.35 H new ATOM 312 N ARG A 20 78.392 -7.802 26.054 1.00 0.23 N ATOM 313 CA ARG A 20 78.004 -7.964 24.622 1.00 0.25 C ATOM 314 C ARG A 20 77.965 -6.600 23.941 1.00 0.25 C ATOM 315 O ARG A 20 78.446 -6.427 22.839 1.00 0.27 O ATOM 316 CB ARG A 20 76.608 -8.574 24.520 1.00 0.30 C ATOM 317 CG ARG A 20 76.617 -10.025 25.003 1.00 0.33 C ATOM 318 CD ARG A 20 75.324 -10.728 24.548 1.00 0.39 C ATOM 319 NE ARG A 20 74.873 -11.678 25.599 1.00 1.43 N ATOM 320 CZ ARG A 20 73.658 -12.150 25.559 1.00 1.78 C ATOM 321 NH1 ARG A 20 72.867 -11.820 24.574 1.00 1.39 N ATOM 322 NH2 ARG A 20 73.235 -12.951 26.497 1.00 2.92 N ATOM 0 H ARG A 20 77.681 -8.066 26.736 1.00 0.23 H new ATOM 0 HA ARG A 20 78.736 -8.614 24.142 1.00 0.25 H new ATOM 0 HB2 ARG A 20 75.906 -7.991 25.116 1.00 0.30 H new ATOM 0 HB3 ARG A 20 76.261 -8.531 23.488 1.00 0.30 H new ATOM 0 HG2 ARG A 20 77.487 -10.547 24.603 1.00 0.33 H new ATOM 0 HG3 ARG A 20 76.697 -10.057 26.090 1.00 0.33 H new ATOM 0 HD2 ARG A 20 74.546 -9.989 24.354 1.00 0.39 H new ATOM 0 HD3 ARG A 20 75.498 -11.261 23.613 1.00 0.39 H new ATOM 0 HE ARG A 20 75.509 -11.958 26.346 1.00 1.43 H new ATOM 0 HH11 ARG A 20 73.200 -11.195 23.840 1.00 1.39 H new ATOM 0 HH12 ARG A 20 71.916 -12.187 24.539 1.00 1.39 H new ATOM 0 HH21 ARG A 20 73.855 -13.210 27.265 1.00 2.92 H new ATOM 0 HH22 ARG A 20 72.284 -13.319 26.463 1.00 2.92 H new ATOM 336 N ALA A 21 77.378 -5.634 24.586 1.00 0.25 N ATOM 337 CA ALA A 21 77.285 -4.285 23.973 1.00 0.26 C ATOM 338 C ALA A 21 78.692 -3.711 23.805 1.00 0.24 C ATOM 339 O ALA A 21 79.042 -3.194 22.764 1.00 0.25 O ATOM 340 CB ALA A 21 76.443 -3.374 24.885 1.00 0.27 C ATOM 0 H ALA A 21 76.959 -5.721 25.512 1.00 0.25 H new ATOM 0 HA ALA A 21 76.809 -4.349 22.995 1.00 0.26 H new ATOM 0 HB1 ALA A 21 76.371 -2.381 24.441 1.00 0.27 H new ATOM 0 HB2 ALA A 21 75.444 -3.795 24.997 1.00 0.27 H new ATOM 0 HB3 ALA A 21 76.918 -3.300 25.863 1.00 0.27 H new ATOM 346 N MET A 22 79.499 -3.800 24.824 1.00 0.21 N ATOM 347 CA MET A 22 80.878 -3.260 24.713 1.00 0.20 C ATOM 348 C MET A 22 81.626 -4.012 23.617 1.00 0.21 C ATOM 349 O MET A 22 82.353 -3.433 22.835 1.00 0.23 O ATOM 350 CB MET A 22 81.614 -3.436 26.037 1.00 0.21 C ATOM 351 CG MET A 22 81.018 -2.493 27.081 1.00 0.25 C ATOM 352 SD MET A 22 82.083 -2.471 28.540 1.00 0.53 S ATOM 353 CE MET A 22 81.734 -4.145 29.120 1.00 0.30 C ATOM 0 H MET A 22 79.264 -4.221 25.723 1.00 0.21 H new ATOM 0 HA MET A 22 80.829 -2.199 24.468 1.00 0.20 H new ATOM 0 HB2 MET A 22 81.533 -4.469 26.376 1.00 0.21 H new ATOM 0 HB3 MET A 22 82.676 -3.226 25.906 1.00 0.21 H new ATOM 0 HG2 MET A 22 80.924 -1.488 26.669 1.00 0.25 H new ATOM 0 HG3 MET A 22 80.015 -2.820 27.353 1.00 0.25 H new ATOM 0 HE1 MET A 22 82.046 -4.242 30.160 1.00 0.30 H new ATOM 0 HE2 MET A 22 80.665 -4.342 29.042 1.00 0.30 H new ATOM 0 HE3 MET A 22 82.281 -4.863 28.509 1.00 0.30 H new ATOM 363 N ALA A 23 81.451 -5.301 23.556 1.00 0.21 N ATOM 364 CA ALA A 23 82.150 -6.098 22.509 1.00 0.23 C ATOM 365 C ALA A 23 81.731 -5.600 21.123 1.00 0.25 C ATOM 366 O ALA A 23 82.545 -5.430 20.238 1.00 0.26 O ATOM 367 CB ALA A 23 81.777 -7.576 22.663 1.00 0.25 C ATOM 0 H ALA A 23 80.854 -5.838 24.185 1.00 0.21 H new ATOM 0 HA ALA A 23 83.228 -5.984 22.620 1.00 0.23 H new ATOM 0 HB1 ALA A 23 82.287 -8.162 21.898 1.00 0.25 H new ATOM 0 HB2 ALA A 23 82.079 -7.927 23.650 1.00 0.25 H new ATOM 0 HB3 ALA A 23 80.699 -7.693 22.551 1.00 0.25 H new ATOM 373 N SER A 24 80.463 -5.369 20.933 1.00 0.26 N ATOM 374 CA SER A 24 79.977 -4.887 19.609 1.00 0.29 C ATOM 375 C SER A 24 80.409 -3.426 19.396 1.00 0.28 C ATOM 376 O SER A 24 80.739 -3.022 18.299 1.00 0.31 O ATOM 377 CB SER A 24 78.446 -5.019 19.563 1.00 0.32 C ATOM 378 OG SER A 24 78.075 -5.764 18.411 1.00 1.16 O ATOM 0 H SER A 24 79.738 -5.493 21.640 1.00 0.26 H new ATOM 0 HA SER A 24 80.409 -5.488 18.809 1.00 0.29 H new ATOM 0 HB2 SER A 24 78.085 -5.515 20.464 1.00 0.32 H new ATOM 0 HB3 SER A 24 77.985 -4.032 19.536 1.00 0.32 H new ATOM 0 HG SER A 24 77.100 -5.852 18.379 1.00 1.16 H new ATOM 384 N ASP A 25 80.404 -2.634 20.435 1.00 0.26 N ATOM 385 CA ASP A 25 80.810 -1.203 20.289 1.00 0.27 C ATOM 386 C ASP A 25 82.253 -1.126 19.778 1.00 0.27 C ATOM 387 O ASP A 25 82.558 -0.371 18.877 1.00 0.30 O ATOM 388 CB ASP A 25 80.714 -0.502 21.664 1.00 0.25 C ATOM 389 CG ASP A 25 79.350 0.184 21.854 1.00 1.13 C ATOM 390 OD1 ASP A 25 78.538 0.134 20.946 1.00 1.86 O ATOM 391 OD2 ASP A 25 79.148 0.757 22.913 1.00 1.89 O ATOM 0 H ASP A 25 80.137 -2.915 21.379 1.00 0.26 H new ATOM 0 HA ASP A 25 80.148 -0.709 19.578 1.00 0.27 H new ATOM 0 HB2 ASP A 25 80.868 -1.233 22.458 1.00 0.25 H new ATOM 0 HB3 ASP A 25 81.510 0.238 21.753 1.00 0.25 H new ATOM 396 N PHE A 26 83.144 -1.886 20.362 1.00 0.24 N ATOM 397 CA PHE A 26 84.580 -1.847 19.936 1.00 0.25 C ATOM 398 C PHE A 26 84.940 -3.105 19.135 1.00 0.26 C ATOM 399 O PHE A 26 86.075 -3.291 18.742 1.00 0.28 O ATOM 400 CB PHE A 26 85.458 -1.753 21.184 1.00 0.24 C ATOM 401 CG PHE A 26 85.130 -0.472 21.916 1.00 0.23 C ATOM 402 CD1 PHE A 26 84.082 -0.446 22.857 1.00 0.22 C ATOM 403 CD2 PHE A 26 85.867 0.699 21.652 1.00 0.27 C ATOM 404 CE1 PHE A 26 83.771 0.751 23.533 1.00 0.23 C ATOM 405 CE2 PHE A 26 85.557 1.895 22.329 1.00 0.28 C ATOM 406 CZ PHE A 26 84.509 1.920 23.270 1.00 0.26 C ATOM 0 H PHE A 26 82.939 -2.537 21.120 1.00 0.24 H new ATOM 0 HA PHE A 26 84.745 -0.980 19.297 1.00 0.25 H new ATOM 0 HB2 PHE A 26 85.286 -2.612 21.832 1.00 0.24 H new ATOM 0 HB3 PHE A 26 86.512 -1.769 20.906 1.00 0.24 H new ATOM 0 HD1 PHE A 26 83.517 -1.343 23.060 1.00 0.22 H new ATOM 0 HD2 PHE A 26 86.670 0.680 20.930 1.00 0.27 H new ATOM 0 HE1 PHE A 26 82.966 0.771 24.253 1.00 0.23 H new ATOM 0 HE2 PHE A 26 86.123 2.792 22.127 1.00 0.28 H new ATOM 0 HZ PHE A 26 84.272 2.837 23.790 1.00 0.26 H new ATOM 416 N ASN A 27 83.989 -3.961 18.874 1.00 0.26 N ATOM 417 CA ASN A 27 84.289 -5.195 18.081 1.00 0.28 C ATOM 418 C ASN A 27 85.450 -5.972 18.734 1.00 0.26 C ATOM 419 O ASN A 27 86.358 -6.425 18.065 1.00 0.27 O ATOM 420 CB ASN A 27 84.667 -4.794 16.630 1.00 0.30 C ATOM 421 CG ASN A 27 83.434 -4.804 15.715 1.00 1.24 C ATOM 422 OD1 ASN A 27 82.386 -5.301 16.076 1.00 2.05 O ATOM 423 ND2 ASN A 27 83.527 -4.279 14.524 1.00 1.92 N ATOM 0 H ASN A 27 83.019 -3.862 19.173 1.00 0.26 H new ATOM 0 HA ASN A 27 83.408 -5.836 18.061 1.00 0.28 H new ATOM 0 HB2 ASN A 27 85.116 -3.801 16.629 1.00 0.30 H new ATOM 0 HB3 ASN A 27 85.417 -5.484 16.242 1.00 0.30 H new ATOM 0 HD21 ASN A 27 82.721 -4.287 13.899 1.00 1.92 H new ATOM 0 HD22 ASN A 27 84.406 -3.861 14.218 1.00 1.92 H new ATOM 430 N LEU A 28 85.423 -6.142 20.031 1.00 0.25 N ATOM 431 CA LEU A 28 86.517 -6.902 20.723 1.00 0.25 C ATOM 432 C LEU A 28 85.948 -8.238 21.216 1.00 0.25 C ATOM 433 O LEU A 28 84.775 -8.330 21.519 1.00 0.28 O ATOM 434 CB LEU A 28 87.007 -6.086 21.921 1.00 0.25 C ATOM 435 CG LEU A 28 87.679 -4.792 21.426 1.00 0.27 C ATOM 436 CD1 LEU A 28 87.945 -3.854 22.613 1.00 0.28 C ATOM 437 CD2 LEU A 28 89.012 -5.121 20.715 1.00 0.31 C ATOM 0 H LEU A 28 84.690 -5.788 20.646 1.00 0.25 H new ATOM 0 HA LEU A 28 87.346 -7.081 20.039 1.00 0.25 H new ATOM 0 HB2 LEU A 28 86.170 -5.845 22.576 1.00 0.25 H new ATOM 0 HB3 LEU A 28 87.713 -6.672 22.509 1.00 0.25 H new ATOM 0 HG LEU A 28 87.012 -4.299 20.719 1.00 0.27 H new ATOM 0 HD11 LEU A 28 88.421 -2.941 22.256 1.00 0.28 H new ATOM 0 HD12 LEU A 28 87.001 -3.606 23.099 1.00 0.28 H new ATOM 0 HD13 LEU A 28 88.602 -4.349 23.328 1.00 0.28 H new ATOM 0 HD21 LEU A 28 89.478 -4.198 20.370 1.00 0.31 H new ATOM 0 HD22 LEU A 28 89.681 -5.626 21.412 1.00 0.31 H new ATOM 0 HD23 LEU A 28 88.818 -5.771 19.862 1.00 0.31 H new ATOM 449 N PRO A 29 86.752 -9.276 21.296 1.00 0.24 N ATOM 450 CA PRO A 29 86.263 -10.603 21.762 1.00 0.25 C ATOM 451 C PRO A 29 85.680 -10.519 23.185 1.00 0.21 C ATOM 452 O PRO A 29 86.064 -9.672 23.966 1.00 0.27 O ATOM 453 CB PRO A 29 87.506 -11.518 21.713 1.00 0.28 C ATOM 454 CG PRO A 29 88.689 -10.600 21.604 1.00 0.37 C ATOM 455 CD PRO A 29 88.184 -9.307 20.956 1.00 0.25 C ATOM 0 HA PRO A 29 85.452 -10.982 21.140 1.00 0.25 H new ATOM 0 HB2 PRO A 29 87.572 -12.135 22.609 1.00 0.28 H new ATOM 0 HB3 PRO A 29 87.458 -12.196 20.861 1.00 0.28 H new ATOM 0 HG2 PRO A 29 89.115 -10.400 22.587 1.00 0.37 H new ATOM 0 HG3 PRO A 29 89.476 -11.053 21.002 1.00 0.37 H new ATOM 0 HD2 PRO A 29 88.706 -8.434 21.347 1.00 0.25 H new ATOM 0 HD3 PRO A 29 88.338 -9.314 19.877 1.00 0.25 H new ATOM 463 N PRO A 30 84.748 -11.382 23.512 1.00 0.19 N ATOM 464 CA PRO A 30 84.100 -11.385 24.850 1.00 0.18 C ATOM 465 C PRO A 30 85.111 -11.242 25.993 1.00 0.16 C ATOM 466 O PRO A 30 84.821 -10.669 27.022 1.00 0.18 O ATOM 467 CB PRO A 30 83.385 -12.753 24.941 1.00 0.20 C ATOM 468 CG PRO A 30 83.423 -13.372 23.563 1.00 0.49 C ATOM 469 CD PRO A 30 84.220 -12.438 22.637 1.00 0.28 C ATOM 0 HA PRO A 30 83.421 -10.538 24.952 1.00 0.18 H new ATOM 0 HB2 PRO A 30 83.881 -13.398 25.666 1.00 0.20 H new ATOM 0 HB3 PRO A 30 82.356 -12.627 25.278 1.00 0.20 H new ATOM 0 HG2 PRO A 30 83.889 -14.357 23.602 1.00 0.49 H new ATOM 0 HG3 PRO A 30 82.412 -13.513 23.182 1.00 0.49 H new ATOM 0 HD2 PRO A 30 85.027 -12.974 22.137 1.00 0.28 H new ATOM 0 HD3 PRO A 30 83.583 -12.021 21.857 1.00 0.28 H new ATOM 477 N VAL A 31 86.278 -11.787 25.827 1.00 0.16 N ATOM 478 CA VAL A 31 87.291 -11.723 26.914 1.00 0.18 C ATOM 479 C VAL A 31 87.578 -10.279 27.279 1.00 0.15 C ATOM 480 O VAL A 31 87.569 -9.912 28.437 1.00 0.15 O ATOM 481 CB VAL A 31 88.582 -12.402 26.422 1.00 0.23 C ATOM 482 CG1 VAL A 31 89.700 -12.314 27.489 1.00 0.30 C ATOM 483 CG2 VAL A 31 88.279 -13.886 26.076 1.00 0.27 C ATOM 0 H VAL A 31 86.577 -12.276 24.983 1.00 0.16 H new ATOM 0 HA VAL A 31 86.912 -12.234 27.799 1.00 0.18 H new ATOM 0 HB VAL A 31 88.935 -11.884 25.531 1.00 0.23 H new ATOM 0 HG11 VAL A 31 90.600 -12.802 27.114 1.00 0.30 H new ATOM 0 HG12 VAL A 31 89.917 -11.268 27.703 1.00 0.30 H new ATOM 0 HG13 VAL A 31 89.372 -12.811 28.402 1.00 0.30 H new ATOM 0 HG21 VAL A 31 89.190 -14.372 25.727 1.00 0.27 H new ATOM 0 HG22 VAL A 31 87.912 -14.399 26.965 1.00 0.27 H new ATOM 0 HG23 VAL A 31 87.522 -13.930 25.293 1.00 0.27 H new ATOM 493 N VAL A 32 87.849 -9.456 26.323 1.00 0.15 N ATOM 494 CA VAL A 32 88.151 -8.052 26.671 1.00 0.14 C ATOM 495 C VAL A 32 86.901 -7.403 27.264 1.00 0.12 C ATOM 496 O VAL A 32 86.952 -6.766 28.298 1.00 0.12 O ATOM 497 CB VAL A 32 88.593 -7.279 25.424 1.00 0.15 C ATOM 498 CG1 VAL A 32 88.914 -5.803 25.797 1.00 0.17 C ATOM 499 CG2 VAL A 32 89.829 -7.968 24.817 1.00 0.18 C ATOM 0 H VAL A 32 87.875 -9.686 25.330 1.00 0.15 H new ATOM 0 HA VAL A 32 88.961 -8.029 27.400 1.00 0.14 H new ATOM 0 HB VAL A 32 87.789 -7.275 24.688 1.00 0.15 H new ATOM 0 HG11 VAL A 32 89.227 -5.262 24.904 1.00 0.17 H new ATOM 0 HG12 VAL A 32 88.024 -5.331 26.214 1.00 0.17 H new ATOM 0 HG13 VAL A 32 89.716 -5.780 26.535 1.00 0.17 H new ATOM 0 HG21 VAL A 32 90.150 -7.424 23.929 1.00 0.18 H new ATOM 0 HG22 VAL A 32 90.637 -7.977 25.549 1.00 0.18 H new ATOM 0 HG23 VAL A 32 89.577 -8.992 24.543 1.00 0.18 H new ATOM 509 N ALA A 33 85.782 -7.551 26.618 1.00 0.13 N ATOM 510 CA ALA A 33 84.539 -6.930 27.148 1.00 0.14 C ATOM 511 C ALA A 33 84.154 -7.574 28.482 1.00 0.13 C ATOM 512 O ALA A 33 83.779 -6.895 29.419 1.00 0.13 O ATOM 513 CB ALA A 33 83.404 -7.122 26.139 1.00 0.17 C ATOM 0 H ALA A 33 85.673 -8.073 25.749 1.00 0.13 H new ATOM 0 HA ALA A 33 84.713 -5.866 27.307 1.00 0.14 H new ATOM 0 HB1 ALA A 33 82.492 -6.667 26.526 1.00 0.17 H new ATOM 0 HB2 ALA A 33 83.673 -6.649 25.195 1.00 0.17 H new ATOM 0 HB3 ALA A 33 83.238 -8.187 25.977 1.00 0.17 H new ATOM 519 N LYS A 34 84.238 -8.874 28.589 1.00 0.14 N ATOM 520 CA LYS A 34 83.865 -9.521 29.877 1.00 0.15 C ATOM 521 C LYS A 34 84.841 -9.112 30.979 1.00 0.14 C ATOM 522 O LYS A 34 84.462 -8.974 32.125 1.00 0.14 O ATOM 523 CB LYS A 34 83.829 -11.045 29.725 1.00 0.20 C ATOM 524 CG LYS A 34 82.582 -11.426 28.901 1.00 0.25 C ATOM 525 CD LYS A 34 82.452 -12.959 28.663 1.00 0.67 C ATOM 526 CE LYS A 34 83.138 -13.788 29.758 1.00 1.12 C ATOM 527 NZ LYS A 34 82.868 -15.233 29.515 1.00 1.77 N ATOM 0 H LYS A 34 84.545 -9.507 27.850 1.00 0.14 H new ATOM 0 HA LYS A 34 82.867 -9.184 30.157 1.00 0.15 H new ATOM 0 HB2 LYS A 34 84.733 -11.397 29.229 1.00 0.20 H new ATOM 0 HB3 LYS A 34 83.796 -11.523 30.704 1.00 0.20 H new ATOM 0 HG2 LYS A 34 81.690 -11.067 29.415 1.00 0.25 H new ATOM 0 HG3 LYS A 34 82.621 -10.917 27.938 1.00 0.25 H new ATOM 0 HD2 LYS A 34 81.397 -13.227 28.617 1.00 0.67 H new ATOM 0 HD3 LYS A 34 82.887 -13.211 27.696 1.00 0.67 H new ATOM 0 HE2 LYS A 34 84.212 -13.600 29.755 1.00 1.12 H new ATOM 0 HE3 LYS A 34 82.766 -13.496 30.740 1.00 1.12 H new ATOM 0 HZ1 LYS A 34 83.330 -15.801 30.253 1.00 1.77 H new ATOM 0 HZ2 LYS A 34 81.842 -15.403 29.538 1.00 1.77 H new ATOM 0 HZ3 LYS A 34 83.243 -15.504 28.584 1.00 1.77 H new ATOM 541 N GLU A 35 86.090 -8.918 30.661 1.00 0.13 N ATOM 542 CA GLU A 35 87.055 -8.521 31.723 1.00 0.14 C ATOM 543 C GLU A 35 86.603 -7.196 32.340 1.00 0.13 C ATOM 544 O GLU A 35 86.672 -7.003 33.535 1.00 0.15 O ATOM 545 CB GLU A 35 88.459 -8.372 31.121 1.00 0.17 C ATOM 546 CG GLU A 35 89.522 -8.289 32.232 1.00 0.23 C ATOM 547 CD GLU A 35 89.610 -6.863 32.795 1.00 0.28 C ATOM 548 OE1 GLU A 35 90.374 -6.079 32.259 1.00 1.12 O ATOM 549 OE2 GLU A 35 88.926 -6.583 33.762 1.00 1.11 O ATOM 0 H GLU A 35 86.481 -9.016 29.724 1.00 0.13 H new ATOM 0 HA GLU A 35 87.087 -9.288 32.497 1.00 0.14 H new ATOM 0 HB2 GLU A 35 88.672 -9.219 30.469 1.00 0.17 H new ATOM 0 HB3 GLU A 35 88.502 -7.475 30.502 1.00 0.17 H new ATOM 0 HG2 GLU A 35 89.274 -8.986 33.032 1.00 0.23 H new ATOM 0 HG3 GLU A 35 90.492 -8.590 31.837 1.00 0.23 H new ATOM 556 N ILE A 36 86.126 -6.278 31.545 1.00 0.13 N ATOM 557 CA ILE A 36 85.677 -4.981 32.125 1.00 0.14 C ATOM 558 C ILE A 36 84.558 -5.235 33.129 1.00 0.13 C ATOM 559 O ILE A 36 84.505 -4.625 34.179 1.00 0.15 O ATOM 560 CB ILE A 36 85.163 -4.060 31.020 1.00 0.15 C ATOM 561 CG1 ILE A 36 86.313 -3.805 30.029 1.00 0.17 C ATOM 562 CG2 ILE A 36 84.662 -2.721 31.637 1.00 0.18 C ATOM 563 CD1 ILE A 36 85.832 -2.930 28.843 1.00 0.19 C ATOM 0 H ILE A 36 86.028 -6.367 30.534 1.00 0.13 H new ATOM 0 HA ILE A 36 86.521 -4.505 32.623 1.00 0.14 H new ATOM 0 HB ILE A 36 84.327 -4.524 30.498 1.00 0.15 H new ATOM 0 HG12 ILE A 36 87.138 -3.310 30.541 1.00 0.17 H new ATOM 0 HG13 ILE A 36 86.694 -4.755 29.655 1.00 0.17 H new ATOM 0 HG21 ILE A 36 84.297 -2.069 30.844 1.00 0.18 H new ATOM 0 HG22 ILE A 36 83.854 -2.924 32.340 1.00 0.18 H new ATOM 0 HG23 ILE A 36 85.484 -2.231 32.160 1.00 0.18 H new ATOM 0 HD11 ILE A 36 86.661 -2.762 28.155 1.00 0.19 H new ATOM 0 HD12 ILE A 36 85.023 -3.440 28.319 1.00 0.19 H new ATOM 0 HD13 ILE A 36 85.473 -1.972 29.220 1.00 0.19 H new ATOM 575 N VAL A 37 83.668 -6.133 32.825 1.00 0.13 N ATOM 576 CA VAL A 37 82.565 -6.421 33.779 1.00 0.15 C ATOM 577 C VAL A 37 83.183 -6.943 35.072 1.00 0.17 C ATOM 578 O VAL A 37 82.758 -6.613 36.162 1.00 0.19 O ATOM 579 CB VAL A 37 81.631 -7.488 33.192 1.00 0.18 C ATOM 580 CG1 VAL A 37 80.575 -7.921 34.251 1.00 0.23 C ATOM 581 CG2 VAL A 37 80.948 -6.913 31.940 1.00 0.20 C ATOM 0 H VAL A 37 83.655 -6.678 31.963 1.00 0.13 H new ATOM 0 HA VAL A 37 81.987 -5.516 33.968 1.00 0.15 H new ATOM 0 HB VAL A 37 82.205 -8.372 32.914 1.00 0.18 H new ATOM 0 HG11 VAL A 37 79.919 -8.678 33.822 1.00 0.23 H new ATOM 0 HG12 VAL A 37 81.082 -8.333 35.123 1.00 0.23 H new ATOM 0 HG13 VAL A 37 79.984 -7.056 34.550 1.00 0.23 H new ATOM 0 HG21 VAL A 37 80.281 -7.662 31.513 1.00 0.20 H new ATOM 0 HG22 VAL A 37 80.373 -6.028 32.213 1.00 0.20 H new ATOM 0 HG23 VAL A 37 81.705 -6.640 31.205 1.00 0.20 H new ATOM 591 N ALA A 38 84.189 -7.760 34.949 1.00 0.18 N ATOM 592 CA ALA A 38 84.859 -8.320 36.152 1.00 0.22 C ATOM 593 C ALA A 38 85.490 -7.194 36.977 1.00 0.22 C ATOM 594 O ALA A 38 85.635 -7.303 38.177 1.00 0.27 O ATOM 595 CB ALA A 38 85.932 -9.309 35.702 1.00 0.23 C ATOM 0 H ALA A 38 84.579 -8.066 34.058 1.00 0.18 H new ATOM 0 HA ALA A 38 84.126 -8.832 36.776 1.00 0.22 H new ATOM 0 HB1 ALA A 38 86.431 -9.727 36.576 1.00 0.23 H new ATOM 0 HB2 ALA A 38 85.469 -10.113 35.130 1.00 0.23 H new ATOM 0 HB3 ALA A 38 86.663 -8.794 35.079 1.00 0.23 H new ATOM 601 N SER A 39 85.860 -6.105 36.360 1.00 0.20 N ATOM 602 CA SER A 39 86.465 -4.991 37.147 1.00 0.24 C ATOM 603 C SER A 39 85.338 -4.185 37.790 1.00 0.23 C ATOM 604 O SER A 39 85.524 -3.517 38.788 1.00 0.27 O ATOM 605 CB SER A 39 87.278 -4.083 36.226 1.00 0.26 C ATOM 606 OG SER A 39 88.403 -4.799 35.733 1.00 0.30 O ATOM 0 H SER A 39 85.772 -5.938 35.358 1.00 0.20 H new ATOM 0 HA SER A 39 87.125 -5.397 37.914 1.00 0.24 H new ATOM 0 HB2 SER A 39 86.660 -3.739 35.397 1.00 0.26 H new ATOM 0 HB3 SER A 39 87.606 -3.196 36.768 1.00 0.26 H new ATOM 0 HG SER A 39 88.126 -5.370 34.986 1.00 0.30 H new ATOM 612 N CYS A 40 84.161 -4.256 37.229 1.00 0.20 N ATOM 613 CA CYS A 40 83.008 -3.511 37.807 1.00 0.21 C ATOM 614 C CYS A 40 82.377 -4.348 38.921 1.00 0.23 C ATOM 615 O CYS A 40 81.659 -5.296 38.671 1.00 0.23 O ATOM 616 CB CYS A 40 81.970 -3.247 36.719 1.00 0.20 C ATOM 617 SG CYS A 40 80.548 -2.396 37.445 1.00 0.21 S ATOM 0 H CYS A 40 83.949 -4.800 36.393 1.00 0.20 H new ATOM 0 HA CYS A 40 83.354 -2.560 38.212 1.00 0.21 H new ATOM 0 HB2 CYS A 40 82.405 -2.640 35.925 1.00 0.20 H new ATOM 0 HB3 CYS A 40 81.654 -4.187 36.266 1.00 0.20 H new ATOM 622 N ASP A 41 82.644 -4.004 40.147 1.00 0.26 N ATOM 623 CA ASP A 41 82.071 -4.771 41.288 1.00 0.30 C ATOM 624 C ASP A 41 80.542 -4.720 41.240 1.00 0.29 C ATOM 625 O ASP A 41 79.869 -5.626 41.688 1.00 0.32 O ATOM 626 CB ASP A 41 82.555 -4.160 42.603 1.00 0.35 C ATOM 627 CG ASP A 41 84.055 -4.414 42.763 1.00 0.38 C ATOM 628 OD1 ASP A 41 84.557 -5.311 42.105 1.00 1.10 O ATOM 629 OD2 ASP A 41 84.676 -3.707 43.539 1.00 1.17 O ATOM 0 H ASP A 41 83.239 -3.219 40.411 1.00 0.26 H new ATOM 0 HA ASP A 41 82.397 -5.809 41.219 1.00 0.30 H new ATOM 0 HB2 ASP A 41 82.354 -3.089 42.614 1.00 0.35 H new ATOM 0 HB3 ASP A 41 82.010 -4.596 43.441 1.00 0.35 H new ATOM 634 N LYS A 42 79.987 -3.658 40.722 1.00 0.28 N ATOM 635 CA LYS A 42 78.502 -3.547 40.674 1.00 0.31 C ATOM 636 C LYS A 42 77.917 -4.557 39.686 1.00 0.31 C ATOM 637 O LYS A 42 76.906 -5.179 39.949 1.00 0.49 O ATOM 638 CB LYS A 42 78.112 -2.140 40.214 1.00 0.32 C ATOM 639 CG LYS A 42 78.434 -1.114 41.304 1.00 0.35 C ATOM 640 CD LYS A 42 78.026 0.297 40.815 1.00 0.39 C ATOM 641 CE LYS A 42 77.703 1.234 41.999 1.00 0.94 C ATOM 642 NZ LYS A 42 78.937 1.953 42.423 1.00 1.73 N ATOM 0 H LYS A 42 80.496 -2.865 40.331 1.00 0.28 H new ATOM 0 HA LYS A 42 78.110 -3.748 41.671 1.00 0.31 H new ATOM 0 HB2 LYS A 42 78.648 -1.888 39.299 1.00 0.32 H new ATOM 0 HB3 LYS A 42 77.048 -2.109 39.979 1.00 0.32 H new ATOM 0 HG2 LYS A 42 77.901 -1.362 42.222 1.00 0.35 H new ATOM 0 HG3 LYS A 42 79.498 -1.137 41.538 1.00 0.35 H new ATOM 0 HD2 LYS A 42 78.833 0.725 40.221 1.00 0.39 H new ATOM 0 HD3 LYS A 42 77.156 0.220 40.163 1.00 0.39 H new ATOM 0 HE2 LYS A 42 76.935 1.951 41.709 1.00 0.94 H new ATOM 0 HE3 LYS A 42 77.302 0.657 42.833 1.00 0.94 H new ATOM 0 HZ1 LYS A 42 78.715 2.583 43.220 1.00 1.73 H new ATOM 0 HZ2 LYS A 42 79.657 1.263 42.717 1.00 1.73 H new ATOM 0 HZ3 LYS A 42 79.301 2.516 41.628 1.00 1.73 H new ATOM 656 N CYS A 43 78.532 -4.723 38.548 1.00 0.28 N ATOM 657 CA CYS A 43 77.994 -5.688 37.545 1.00 0.27 C ATOM 658 C CYS A 43 78.514 -7.098 37.842 1.00 0.31 C ATOM 659 O CYS A 43 77.918 -8.080 37.446 1.00 0.40 O ATOM 660 CB CYS A 43 78.431 -5.262 36.143 1.00 0.25 C ATOM 661 SG CYS A 43 77.545 -3.753 35.669 1.00 0.25 S ATOM 0 H CYS A 43 79.382 -4.234 38.268 1.00 0.28 H new ATOM 0 HA CYS A 43 76.905 -5.693 37.601 1.00 0.27 H new ATOM 0 HB2 CYS A 43 79.507 -5.087 36.123 1.00 0.25 H new ATOM 0 HB3 CYS A 43 78.224 -6.058 35.428 1.00 0.25 H new ATOM 666 N GLN A 44 79.617 -7.214 38.536 1.00 0.33 N ATOM 667 CA GLN A 44 80.148 -8.576 38.843 1.00 0.39 C ATOM 668 C GLN A 44 79.347 -9.172 39.999 1.00 0.41 C ATOM 669 O GLN A 44 78.549 -10.066 39.807 1.00 0.56 O ATOM 670 CB GLN A 44 81.623 -8.486 39.237 1.00 0.51 C ATOM 671 CG GLN A 44 82.200 -9.900 39.350 1.00 0.61 C ATOM 672 CD GLN A 44 83.620 -9.829 39.907 1.00 0.77 C ATOM 673 OE1 GLN A 44 84.449 -8.946 39.431 1.00 1.17 O ATOM 674 NE2 GLN A 44 83.979 -10.587 40.787 1.00 1.03 N ATOM 0 H GLN A 44 80.167 -6.436 38.899 1.00 0.33 H new ATOM 0 HA GLN A 44 80.056 -9.209 37.961 1.00 0.39 H new ATOM 0 HB2 GLN A 44 82.176 -7.913 38.493 1.00 0.51 H new ATOM 0 HB3 GLN A 44 81.727 -7.961 40.186 1.00 0.51 H new ATOM 0 HG2 GLN A 44 81.573 -10.509 40.001 1.00 0.61 H new ATOM 0 HG3 GLN A 44 82.206 -10.381 38.372 1.00 0.61 H new ATOM 0 HE21 GLN A 44 83.329 -11.279 41.160 1.00 1.03 H new ATOM 0 HE22 GLN A 44 84.930 -10.531 41.152 1.00 1.03 H new ATOM 683 N LEU A 45 79.513 -8.668 41.193 1.00 0.42 N ATOM 684 CA LEU A 45 78.704 -9.210 42.321 1.00 0.53 C ATOM 685 C LEU A 45 77.328 -8.571 42.193 1.00 0.67 C ATOM 686 O LEU A 45 77.130 -7.400 42.451 1.00 1.01 O ATOM 687 CB LEU A 45 79.352 -8.874 43.676 1.00 0.63 C ATOM 688 CG LEU A 45 80.874 -9.136 43.640 1.00 0.63 C ATOM 689 CD1 LEU A 45 81.510 -8.581 44.921 1.00 0.84 C ATOM 690 CD2 LEU A 45 81.182 -10.649 43.537 1.00 0.65 C ATOM 0 H LEU A 45 80.162 -7.918 41.433 1.00 0.42 H new ATOM 0 HA LEU A 45 78.639 -10.297 42.278 1.00 0.53 H new ATOM 0 HB2 LEU A 45 79.165 -7.829 43.924 1.00 0.63 H new ATOM 0 HB3 LEU A 45 78.894 -9.475 44.462 1.00 0.63 H new ATOM 0 HG LEU A 45 81.287 -8.641 42.761 1.00 0.63 H new ATOM 0 HD11 LEU A 45 82.585 -8.763 44.902 1.00 0.84 H new ATOM 0 HD12 LEU A 45 81.324 -7.509 44.984 1.00 0.84 H new ATOM 0 HD13 LEU A 45 81.074 -9.077 45.788 1.00 0.84 H new ATOM 0 HD21 LEU A 45 82.261 -10.800 43.514 1.00 0.65 H new ATOM 0 HD22 LEU A 45 80.762 -11.165 44.400 1.00 0.65 H new ATOM 0 HD23 LEU A 45 80.740 -11.049 42.624 1.00 0.65 H new ATOM 702 N LYS A 46 76.400 -9.341 41.703 1.00 0.86 N ATOM 703 CA LYS A 46 75.024 -8.841 41.430 1.00 1.00 C ATOM 704 C LYS A 46 74.016 -9.380 42.459 1.00 1.49 C ATOM 705 O LYS A 46 72.823 -9.208 42.317 1.00 2.23 O ATOM 706 CB LYS A 46 74.672 -9.348 40.030 1.00 1.28 C ATOM 707 CG LYS A 46 73.486 -8.589 39.438 1.00 1.71 C ATOM 708 CD LYS A 46 73.061 -9.281 38.138 1.00 2.06 C ATOM 709 CE LYS A 46 71.728 -8.709 37.639 1.00 2.79 C ATOM 710 NZ LYS A 46 71.694 -8.785 36.153 1.00 3.32 N ATOM 0 H LYS A 46 76.542 -10.325 41.474 1.00 0.86 H new ATOM 0 HA LYS A 46 74.983 -7.754 41.497 1.00 1.00 H new ATOM 0 HB2 LYS A 46 75.537 -9.240 39.375 1.00 1.28 H new ATOM 0 HB3 LYS A 46 74.438 -10.412 40.076 1.00 1.28 H new ATOM 0 HG2 LYS A 46 72.657 -8.572 40.146 1.00 1.71 H new ATOM 0 HG3 LYS A 46 73.760 -7.552 39.242 1.00 1.71 H new ATOM 0 HD2 LYS A 46 73.830 -9.145 37.378 1.00 2.06 H new ATOM 0 HD3 LYS A 46 72.964 -10.354 38.304 1.00 2.06 H new ATOM 0 HE2 LYS A 46 70.895 -9.270 38.064 1.00 2.79 H new ATOM 0 HE3 LYS A 46 71.616 -7.675 37.966 1.00 2.79 H new ATOM 0 HZ1 LYS A 46 70.793 -8.399 35.806 1.00 3.32 H new ATOM 0 HZ2 LYS A 46 72.482 -8.232 35.759 1.00 3.32 H new ATOM 0 HZ3 LYS A 46 71.783 -9.777 35.854 1.00 3.32 H new ATOM 724 N GLY A 47 74.467 -10.034 43.492 1.00 1.78 N ATOM 725 CA GLY A 47 73.504 -10.573 44.503 1.00 2.33 C ATOM 726 C GLY A 47 74.080 -11.841 45.132 1.00 1.98 C ATOM 727 O GLY A 47 74.246 -11.930 46.331 1.00 2.24 O ATOM 0 H GLY A 47 75.452 -10.220 43.683 1.00 1.78 H new ATOM 0 HA2 GLY A 47 73.314 -9.826 45.274 1.00 2.33 H new ATOM 0 HA3 GLY A 47 72.547 -10.792 44.029 1.00 2.33 H new TER 731 GLY A 47 ATOM 732 N PHE B 1 93.693 -14.109 21.379 1.00 0.36 N ATOM 733 CA PHE B 1 92.861 -13.965 22.608 1.00 0.28 C ATOM 734 C PHE B 1 92.372 -15.340 23.067 1.00 0.26 C ATOM 735 O PHE B 1 92.730 -15.820 24.124 1.00 0.33 O ATOM 736 CB PHE B 1 91.640 -13.088 22.310 1.00 0.23 C ATOM 737 CG PHE B 1 92.057 -11.646 22.140 1.00 0.23 C ATOM 738 CD1 PHE B 1 92.588 -11.206 20.912 1.00 0.29 C ATOM 739 CD2 PHE B 1 91.905 -10.738 23.207 1.00 0.23 C ATOM 740 CE1 PHE B 1 92.966 -9.859 20.750 1.00 0.32 C ATOM 741 CE2 PHE B 1 92.286 -9.392 23.045 1.00 0.25 C ATOM 742 CZ PHE B 1 92.816 -8.953 21.817 1.00 0.29 C ATOM 0 H1 PHE B 1 93.671 -13.221 20.839 1.00 0.36 H new ATOM 0 H2 PHE B 1 94.674 -14.327 21.647 1.00 0.36 H new ATOM 0 H3 PHE B 1 93.315 -14.880 20.792 1.00 0.36 H new ATOM 0 HA PHE B 1 93.467 -13.505 23.388 1.00 0.28 H new ATOM 0 HB2 PHE B 1 91.144 -13.439 21.405 1.00 0.23 H new ATOM 0 HB3 PHE B 1 90.918 -13.171 23.122 1.00 0.23 H new ATOM 0 HD1 PHE B 1 92.705 -11.902 20.094 1.00 0.29 H new ATOM 0 HD2 PHE B 1 91.497 -11.074 24.149 1.00 0.23 H new ATOM 0 HE1 PHE B 1 93.371 -9.521 19.807 1.00 0.32 H new ATOM 0 HE2 PHE B 1 92.172 -8.696 23.863 1.00 0.25 H new ATOM 0 HZ PHE B 1 93.108 -7.921 21.693 1.00 0.29 H new ATOM 754 N LEU B 2 91.534 -15.963 22.285 1.00 0.22 N ATOM 755 CA LEU B 2 90.987 -17.293 22.673 1.00 0.24 C ATOM 756 C LEU B 2 92.066 -18.373 22.552 1.00 0.26 C ATOM 757 O LEU B 2 92.081 -19.323 23.303 1.00 0.28 O ATOM 758 CB LEU B 2 89.818 -17.646 21.746 1.00 0.25 C ATOM 759 CG LEU B 2 88.841 -16.460 21.654 1.00 0.26 C ATOM 760 CD1 LEU B 2 87.583 -16.857 20.837 1.00 0.36 C ATOM 761 CD2 LEU B 2 88.436 -16.019 23.069 1.00 0.33 C ATOM 0 H LEU B 2 91.203 -15.606 21.389 1.00 0.22 H new ATOM 0 HA LEU B 2 90.648 -17.246 23.708 1.00 0.24 H new ATOM 0 HB2 LEU B 2 90.193 -17.896 20.754 1.00 0.25 H new ATOM 0 HB3 LEU B 2 89.298 -18.527 22.122 1.00 0.25 H new ATOM 0 HG LEU B 2 89.334 -15.632 21.145 1.00 0.26 H new ATOM 0 HD11 LEU B 2 86.902 -16.008 20.781 1.00 0.36 H new ATOM 0 HD12 LEU B 2 87.881 -17.150 19.830 1.00 0.36 H new ATOM 0 HD13 LEU B 2 87.081 -17.693 21.325 1.00 0.36 H new ATOM 0 HD21 LEU B 2 87.744 -15.179 23.004 1.00 0.33 H new ATOM 0 HD22 LEU B 2 87.952 -16.849 23.584 1.00 0.33 H new ATOM 0 HD23 LEU B 2 89.324 -15.716 23.624 1.00 0.33 H new ATOM 773 N ASP B 3 92.956 -18.250 21.607 1.00 0.29 N ATOM 774 CA ASP B 3 94.013 -19.296 21.437 1.00 0.32 C ATOM 775 C ASP B 3 94.907 -19.363 22.686 1.00 0.29 C ATOM 776 O ASP B 3 95.015 -20.391 23.327 1.00 0.31 O ATOM 777 CB ASP B 3 94.872 -18.945 20.195 1.00 0.39 C ATOM 778 CG ASP B 3 94.400 -19.719 18.953 1.00 1.49 C ATOM 779 OD1 ASP B 3 93.349 -20.336 19.015 1.00 2.33 O ATOM 780 OD2 ASP B 3 95.104 -19.677 17.957 1.00 2.16 O ATOM 0 H ASP B 3 93.001 -17.475 20.945 1.00 0.29 H new ATOM 0 HA ASP B 3 93.540 -20.268 21.299 1.00 0.32 H new ATOM 0 HB2 ASP B 3 94.815 -17.874 20.002 1.00 0.39 H new ATOM 0 HB3 ASP B 3 95.918 -19.178 20.396 1.00 0.39 H new ATOM 785 N GLY B 4 95.561 -18.290 23.023 1.00 0.31 N ATOM 786 CA GLY B 4 96.462 -18.310 24.213 1.00 0.32 C ATOM 787 C GLY B 4 95.670 -18.655 25.475 1.00 0.26 C ATOM 788 O GLY B 4 96.103 -19.436 26.298 1.00 0.26 O ATOM 0 H GLY B 4 95.513 -17.399 22.529 1.00 0.31 H new ATOM 0 HA2 GLY B 4 97.257 -19.041 24.063 1.00 0.32 H new ATOM 0 HA3 GLY B 4 96.941 -17.338 24.331 1.00 0.32 H new ATOM 792 N ILE B 5 94.521 -18.071 25.637 1.00 0.23 N ATOM 793 CA ILE B 5 93.699 -18.346 26.848 1.00 0.20 C ATOM 794 C ILE B 5 93.348 -19.829 26.929 1.00 0.19 C ATOM 795 O ILE B 5 93.351 -20.415 27.994 1.00 0.18 O ATOM 796 CB ILE B 5 92.429 -17.497 26.788 1.00 0.22 C ATOM 797 CG1 ILE B 5 92.834 -16.035 26.995 1.00 0.28 C ATOM 798 CG2 ILE B 5 91.458 -17.924 27.896 1.00 0.25 C ATOM 799 CD1 ILE B 5 91.679 -15.082 26.646 1.00 0.34 C ATOM 0 H ILE B 5 94.110 -17.409 24.979 1.00 0.23 H new ATOM 0 HA ILE B 5 94.267 -18.087 27.741 1.00 0.20 H new ATOM 0 HB ILE B 5 91.933 -17.627 25.826 1.00 0.22 H new ATOM 0 HG12 ILE B 5 93.135 -15.882 28.031 1.00 0.28 H new ATOM 0 HG13 ILE B 5 93.700 -15.804 26.374 1.00 0.28 H new ATOM 0 HG21 ILE B 5 90.557 -17.313 27.845 1.00 0.25 H new ATOM 0 HG22 ILE B 5 91.194 -18.973 27.764 1.00 0.25 H new ATOM 0 HG23 ILE B 5 91.933 -17.789 28.868 1.00 0.25 H new ATOM 0 HD11 ILE B 5 91.997 -14.051 26.803 1.00 0.34 H new ATOM 0 HD12 ILE B 5 91.397 -15.219 25.602 1.00 0.34 H new ATOM 0 HD13 ILE B 5 90.823 -15.299 27.285 1.00 0.34 H new ATOM 811 N ASP B 6 93.035 -20.445 25.827 1.00 0.21 N ATOM 812 CA ASP B 6 92.678 -21.887 25.878 1.00 0.23 C ATOM 813 C ASP B 6 93.816 -22.638 26.581 1.00 0.23 C ATOM 814 O ASP B 6 93.589 -23.440 27.465 1.00 0.23 O ATOM 815 CB ASP B 6 92.477 -22.412 24.436 1.00 0.28 C ATOM 816 CG ASP B 6 91.300 -23.394 24.372 1.00 1.11 C ATOM 817 OD1 ASP B 6 90.305 -23.143 25.032 1.00 1.84 O ATOM 818 OD2 ASP B 6 91.408 -24.370 23.649 1.00 1.87 O ATOM 0 H ASP B 6 93.011 -20.018 24.901 1.00 0.21 H new ATOM 0 HA ASP B 6 91.751 -22.041 26.430 1.00 0.23 H new ATOM 0 HB2 ASP B 6 92.295 -21.575 23.762 1.00 0.28 H new ATOM 0 HB3 ASP B 6 93.387 -22.905 24.094 1.00 0.28 H new ATOM 823 N LYS B 7 95.038 -22.360 26.215 1.00 0.24 N ATOM 824 CA LYS B 7 96.185 -23.037 26.889 1.00 0.26 C ATOM 825 C LYS B 7 96.286 -22.543 28.330 1.00 0.22 C ATOM 826 O LYS B 7 96.374 -23.314 29.265 1.00 0.24 O ATOM 827 CB LYS B 7 97.500 -22.675 26.184 1.00 0.30 C ATOM 828 CG LYS B 7 97.694 -23.505 24.914 1.00 0.93 C ATOM 829 CD LYS B 7 99.082 -23.180 24.317 1.00 1.01 C ATOM 830 CE LYS B 7 99.547 -24.276 23.335 1.00 1.71 C ATOM 831 NZ LYS B 7 99.192 -23.877 21.947 1.00 2.41 N ATOM 0 H LYS B 7 95.292 -21.697 25.483 1.00 0.24 H new ATOM 0 HA LYS B 7 96.021 -24.114 26.854 1.00 0.26 H new ATOM 0 HB2 LYS B 7 97.501 -21.615 25.932 1.00 0.30 H new ATOM 0 HB3 LYS B 7 98.337 -22.842 26.862 1.00 0.30 H new ATOM 0 HG2 LYS B 7 97.621 -24.568 25.143 1.00 0.93 H new ATOM 0 HG3 LYS B 7 96.910 -23.279 24.192 1.00 0.93 H new ATOM 0 HD2 LYS B 7 99.041 -22.221 23.801 1.00 1.01 H new ATOM 0 HD3 LYS B 7 99.810 -23.078 25.122 1.00 1.01 H new ATOM 0 HE2 LYS B 7 100.624 -24.422 23.419 1.00 1.71 H new ATOM 0 HE3 LYS B 7 99.076 -25.227 23.584 1.00 1.71 H new ATOM 0 HZ1 LYS B 7 99.504 -24.614 21.283 1.00 2.41 H new ATOM 0 HZ2 LYS B 7 98.161 -23.758 21.873 1.00 2.41 H new ATOM 0 HZ3 LYS B 7 99.662 -22.979 21.713 1.00 2.41 H new ATOM 845 N ALA B 8 96.301 -21.254 28.502 1.00 0.20 N ATOM 846 CA ALA B 8 96.429 -20.682 29.864 1.00 0.19 C ATOM 847 C ALA B 8 95.249 -21.144 30.719 1.00 0.17 C ATOM 848 O ALA B 8 95.382 -21.357 31.908 1.00 0.17 O ATOM 849 CB ALA B 8 96.469 -19.140 29.760 1.00 0.20 C ATOM 0 H ALA B 8 96.229 -20.568 27.751 1.00 0.20 H new ATOM 0 HA ALA B 8 97.350 -21.024 30.336 1.00 0.19 H new ATOM 0 HB1 ALA B 8 96.563 -18.710 30.757 1.00 0.20 H new ATOM 0 HB2 ALA B 8 97.323 -18.838 29.153 1.00 0.20 H new ATOM 0 HB3 ALA B 8 95.550 -18.783 29.296 1.00 0.20 H new ATOM 855 N GLN B 9 94.098 -21.300 30.132 1.00 0.17 N ATOM 856 CA GLN B 9 92.933 -21.743 30.937 1.00 0.18 C ATOM 857 C GLN B 9 93.238 -23.107 31.557 1.00 0.18 C ATOM 858 O GLN B 9 92.950 -23.351 32.712 1.00 0.19 O ATOM 859 CB GLN B 9 91.698 -21.853 30.046 1.00 0.20 C ATOM 860 CG GLN B 9 90.467 -22.046 30.929 1.00 0.22 C ATOM 861 CD GLN B 9 89.239 -22.288 30.051 1.00 0.75 C ATOM 862 OE1 GLN B 9 89.314 -22.200 28.842 1.00 1.40 O ATOM 863 NE2 GLN B 9 88.101 -22.590 30.614 1.00 1.16 N ATOM 0 H GLN B 9 93.916 -21.142 29.141 1.00 0.17 H new ATOM 0 HA GLN B 9 92.741 -21.015 31.725 1.00 0.18 H new ATOM 0 HB2 GLN B 9 91.590 -20.954 29.439 1.00 0.20 H new ATOM 0 HB3 GLN B 9 91.803 -22.691 29.357 1.00 0.20 H new ATOM 0 HG2 GLN B 9 90.618 -22.891 31.601 1.00 0.22 H new ATOM 0 HG3 GLN B 9 90.313 -21.166 31.553 1.00 0.22 H new ATOM 0 HE21 GLN B 9 88.038 -22.664 31.629 1.00 1.16 H new ATOM 0 HE22 GLN B 9 87.275 -22.752 30.039 1.00 1.16 H new ATOM 872 N GLU B 10 93.826 -23.999 30.805 1.00 0.20 N ATOM 873 CA GLU B 10 94.149 -25.340 31.371 1.00 0.21 C ATOM 874 C GLU B 10 95.130 -25.172 32.533 1.00 0.19 C ATOM 875 O GLU B 10 95.001 -25.808 33.560 1.00 0.20 O ATOM 876 CB GLU B 10 94.774 -26.223 30.288 1.00 0.24 C ATOM 877 CG GLU B 10 94.952 -27.643 30.829 1.00 0.29 C ATOM 878 CD GLU B 10 95.340 -28.582 29.685 1.00 1.05 C ATOM 879 OE1 GLU B 10 95.236 -28.167 28.542 1.00 1.78 O ATOM 880 OE2 GLU B 10 95.732 -29.702 29.970 1.00 1.69 O ATOM 0 H GLU B 10 94.095 -23.859 29.831 1.00 0.20 H new ATOM 0 HA GLU B 10 93.236 -25.814 31.730 1.00 0.21 H new ATOM 0 HB2 GLU B 10 94.138 -26.236 29.403 1.00 0.24 H new ATOM 0 HB3 GLU B 10 95.737 -25.815 29.982 1.00 0.24 H new ATOM 0 HG2 GLU B 10 95.722 -27.655 31.600 1.00 0.29 H new ATOM 0 HG3 GLU B 10 94.028 -27.984 31.296 1.00 0.29 H new ATOM 887 N GLU B 11 96.100 -24.308 32.390 1.00 0.17 N ATOM 888 CA GLU B 11 97.067 -24.097 33.503 1.00 0.16 C ATOM 889 C GLU B 11 96.294 -23.588 34.716 1.00 0.15 C ATOM 890 O GLU B 11 96.548 -23.981 35.836 1.00 0.15 O ATOM 891 CB GLU B 11 98.128 -23.070 33.079 1.00 0.16 C ATOM 892 CG GLU B 11 99.137 -22.845 34.218 1.00 0.27 C ATOM 893 CD GLU B 11 99.921 -24.125 34.482 1.00 1.68 C ATOM 894 OE1 GLU B 11 99.898 -25.001 33.635 1.00 2.51 O ATOM 895 OE2 GLU B 11 100.527 -24.209 35.538 1.00 2.40 O ATOM 0 H GLU B 11 96.263 -23.744 31.556 1.00 0.17 H new ATOM 0 HA GLU B 11 97.572 -25.031 33.751 1.00 0.16 H new ATOM 0 HB2 GLU B 11 98.648 -23.421 32.187 1.00 0.16 H new ATOM 0 HB3 GLU B 11 97.648 -22.127 32.818 1.00 0.16 H new ATOM 0 HG2 GLU B 11 99.821 -22.038 33.955 1.00 0.27 H new ATOM 0 HG3 GLU B 11 98.613 -22.537 35.123 1.00 0.27 H new ATOM 902 N HIS B 12 95.344 -22.721 34.503 1.00 0.15 N ATOM 903 CA HIS B 12 94.555 -22.201 35.652 1.00 0.15 C ATOM 904 C HIS B 12 93.847 -23.358 36.353 1.00 0.17 C ATOM 905 O HIS B 12 93.877 -23.482 37.554 1.00 0.18 O ATOM 906 CB HIS B 12 93.497 -21.204 35.177 1.00 0.17 C ATOM 907 CG HIS B 12 92.779 -20.702 36.394 1.00 0.17 C ATOM 908 ND1 HIS B 12 92.979 -19.413 36.907 1.00 0.18 N ATOM 909 CD2 HIS B 12 91.956 -21.341 37.283 1.00 0.17 C ATOM 910 CE1 HIS B 12 92.295 -19.331 38.069 1.00 0.19 C ATOM 911 NE2 HIS B 12 91.676 -20.475 38.316 1.00 0.18 N ATOM 0 H HIS B 12 95.082 -22.352 33.589 1.00 0.15 H new ATOM 0 HA HIS B 12 95.241 -21.701 36.336 1.00 0.15 H new ATOM 0 HB2 HIS B 12 93.962 -20.379 34.637 1.00 0.17 H new ATOM 0 HB3 HIS B 12 92.800 -21.682 34.489 1.00 0.17 H new ATOM 0 HD1 HIS B 12 93.538 -18.673 36.481 1.00 0.18 H new ATOM 0 HD2 HIS B 12 91.589 -22.352 37.190 1.00 0.17 H new ATOM 0 HE1 HIS B 12 92.258 -18.459 38.705 1.00 0.19 H new ATOM 919 N GLU B 13 93.181 -24.189 35.609 1.00 0.18 N ATOM 920 CA GLU B 13 92.440 -25.319 36.236 1.00 0.22 C ATOM 921 C GLU B 13 93.401 -26.227 37.009 1.00 0.22 C ATOM 922 O GLU B 13 93.088 -26.713 38.078 1.00 0.24 O ATOM 923 CB GLU B 13 91.750 -26.132 35.136 1.00 0.25 C ATOM 924 CG GLU B 13 90.950 -27.271 35.771 1.00 0.29 C ATOM 925 CD GLU B 13 89.980 -27.850 34.739 1.00 1.14 C ATOM 926 OE1 GLU B 13 89.973 -27.360 33.622 1.00 1.85 O ATOM 927 OE2 GLU B 13 89.260 -28.773 35.084 1.00 1.85 O ATOM 0 H GLU B 13 93.116 -24.137 34.592 1.00 0.18 H new ATOM 0 HA GLU B 13 91.701 -24.919 36.931 1.00 0.22 H new ATOM 0 HB2 GLU B 13 91.089 -25.489 34.554 1.00 0.25 H new ATOM 0 HB3 GLU B 13 92.492 -26.535 34.446 1.00 0.25 H new ATOM 0 HG2 GLU B 13 91.625 -28.049 36.128 1.00 0.29 H new ATOM 0 HG3 GLU B 13 90.400 -26.904 36.637 1.00 0.29 H new ATOM 934 N LYS B 14 94.554 -26.479 36.465 1.00 0.20 N ATOM 935 CA LYS B 14 95.529 -27.378 37.142 1.00 0.21 C ATOM 936 C LYS B 14 95.962 -26.833 38.513 1.00 0.21 C ATOM 937 O LYS B 14 96.150 -27.593 39.443 1.00 0.25 O ATOM 938 CB LYS B 14 96.759 -27.544 36.246 1.00 0.21 C ATOM 939 CG LYS B 14 96.382 -28.376 35.017 1.00 0.22 C ATOM 940 CD LYS B 14 97.527 -28.343 33.991 1.00 0.31 C ATOM 941 CE LYS B 14 98.745 -29.157 34.482 1.00 0.94 C ATOM 942 NZ LYS B 14 99.128 -30.138 33.427 1.00 1.59 N ATOM 0 H LYS B 14 94.868 -26.098 35.572 1.00 0.20 H new ATOM 0 HA LYS B 14 95.042 -28.339 37.310 1.00 0.21 H new ATOM 0 HB2 LYS B 14 97.133 -26.568 35.938 1.00 0.21 H new ATOM 0 HB3 LYS B 14 97.562 -28.033 36.798 1.00 0.21 H new ATOM 0 HG2 LYS B 14 96.177 -29.405 35.313 1.00 0.22 H new ATOM 0 HG3 LYS B 14 95.469 -27.985 34.568 1.00 0.22 H new ATOM 0 HD2 LYS B 14 97.178 -28.745 33.040 1.00 0.31 H new ATOM 0 HD3 LYS B 14 97.826 -27.311 33.810 1.00 0.31 H new ATOM 0 HE2 LYS B 14 99.580 -28.491 34.699 1.00 0.94 H new ATOM 0 HE3 LYS B 14 98.502 -29.676 35.409 1.00 0.94 H new ATOM 0 HZ1 LYS B 14 99.948 -30.691 33.749 1.00 1.59 H new ATOM 0 HZ2 LYS B 14 98.329 -30.778 33.242 1.00 1.59 H new ATOM 0 HZ3 LYS B 14 99.374 -29.630 32.554 1.00 1.59 H new ATOM 956 N TYR B 15 96.176 -25.540 38.642 1.00 0.18 N ATOM 957 CA TYR B 15 96.660 -24.979 39.957 1.00 0.19 C ATOM 958 C TYR B 15 95.846 -23.759 40.416 1.00 0.19 C ATOM 959 O TYR B 15 96.136 -23.178 41.443 1.00 0.21 O ATOM 960 CB TYR B 15 98.117 -24.547 39.773 1.00 0.19 C ATOM 961 CG TYR B 15 98.837 -25.588 38.955 1.00 0.19 C ATOM 962 CD1 TYR B 15 99.432 -26.690 39.596 1.00 0.25 C ATOM 963 CD2 TYR B 15 98.906 -25.464 37.551 1.00 0.19 C ATOM 964 CE1 TYR B 15 100.098 -27.669 38.837 1.00 0.29 C ATOM 965 CE2 TYR B 15 99.571 -26.442 36.793 1.00 0.24 C ATOM 966 CZ TYR B 15 100.169 -27.547 37.435 1.00 0.29 C ATOM 967 OH TYR B 15 100.822 -28.508 36.692 1.00 0.36 O ATOM 0 H TYR B 15 96.039 -24.852 37.902 1.00 0.18 H new ATOM 0 HA TYR B 15 96.549 -25.752 40.717 1.00 0.19 H new ATOM 0 HB2 TYR B 15 98.163 -23.579 39.275 1.00 0.19 H new ATOM 0 HB3 TYR B 15 98.600 -24.430 40.743 1.00 0.19 H new ATOM 0 HD1 TYR B 15 99.377 -26.784 40.670 1.00 0.25 H new ATOM 0 HD2 TYR B 15 98.448 -24.618 37.060 1.00 0.19 H new ATOM 0 HE1 TYR B 15 100.555 -28.515 39.329 1.00 0.29 H new ATOM 0 HE2 TYR B 15 99.625 -26.348 35.718 1.00 0.24 H new ATOM 0 HH TYR B 15 100.755 -29.374 37.146 1.00 0.36 H new ATOM 977 N HIS B 16 94.873 -23.328 39.667 1.00 0.18 N ATOM 978 CA HIS B 16 94.109 -22.111 40.077 1.00 0.18 C ATOM 979 C HIS B 16 95.122 -21.011 40.366 1.00 0.18 C ATOM 980 O HIS B 16 95.010 -20.273 41.325 1.00 0.21 O ATOM 981 CB HIS B 16 93.277 -22.368 41.341 1.00 0.22 C ATOM 982 CG HIS B 16 92.094 -23.252 41.036 1.00 0.22 C ATOM 983 ND1 HIS B 16 90.913 -22.784 40.479 1.00 0.22 N ATOM 984 CD2 HIS B 16 91.867 -24.594 41.251 1.00 0.25 C ATOM 985 CE1 HIS B 16 90.037 -23.788 40.376 1.00 0.24 C ATOM 986 NE2 HIS B 16 90.571 -24.925 40.836 1.00 0.26 N ATOM 0 H HIS B 16 94.572 -23.760 38.793 1.00 0.18 H new ATOM 0 HA HIS B 16 93.423 -21.830 39.278 1.00 0.18 H new ATOM 0 HB2 HIS B 16 93.900 -22.837 42.102 1.00 0.22 H new ATOM 0 HB3 HIS B 16 92.931 -21.420 41.753 1.00 0.22 H new ATOM 0 HD2 HIS B 16 92.580 -25.285 41.675 1.00 0.25 H new ATOM 0 HE1 HIS B 16 89.038 -23.694 39.977 1.00 0.24 H new ATOM 0 HE2 HIS B 16 90.127 -25.842 40.876 1.00 0.26 H new ATOM 994 N SER B 17 96.131 -20.924 39.549 1.00 0.17 N ATOM 995 CA SER B 17 97.184 -19.907 39.772 1.00 0.18 C ATOM 996 C SER B 17 96.590 -18.502 39.677 1.00 0.18 C ATOM 997 O SER B 17 95.567 -18.286 39.058 1.00 0.18 O ATOM 998 CB SER B 17 98.273 -20.071 38.720 1.00 0.17 C ATOM 999 OG SER B 17 97.770 -19.667 37.455 1.00 0.20 O ATOM 0 H SER B 17 96.270 -21.519 38.732 1.00 0.17 H new ATOM 0 HA SER B 17 97.608 -20.044 40.767 1.00 0.18 H new ATOM 0 HB2 SER B 17 99.144 -19.472 38.986 1.00 0.17 H new ATOM 0 HB3 SER B 17 98.601 -21.110 38.679 1.00 0.17 H new ATOM 0 HG SER B 17 98.470 -19.770 36.777 1.00 0.20 H new ATOM 1005 N ASN B 18 97.227 -17.547 40.296 1.00 0.20 N ATOM 1006 CA ASN B 18 96.710 -16.152 40.256 1.00 0.21 C ATOM 1007 C ASN B 18 96.963 -15.555 38.869 1.00 0.18 C ATOM 1008 O ASN B 18 97.781 -16.042 38.114 1.00 0.18 O ATOM 1009 CB ASN B 18 97.415 -15.322 41.329 1.00 0.26 C ATOM 1010 CG ASN B 18 97.036 -15.870 42.708 1.00 0.31 C ATOM 1011 OD1 ASN B 18 96.060 -16.582 42.842 1.00 1.06 O ATOM 1012 ND2 ASN B 18 97.764 -15.564 43.746 1.00 1.11 N ATOM 0 H ASN B 18 98.087 -17.674 40.830 1.00 0.20 H new ATOM 0 HA ASN B 18 95.638 -16.147 40.451 1.00 0.21 H new ATOM 0 HB2 ASN B 18 98.495 -15.365 41.190 1.00 0.26 H new ATOM 0 HB3 ASN B 18 97.125 -14.275 41.247 1.00 0.26 H new ATOM 0 HD21 ASN B 18 97.514 -15.922 44.668 1.00 1.11 H new ATOM 0 HD22 ASN B 18 98.583 -14.967 43.636 1.00 1.11 H new ATOM 1019 N TRP B 19 96.248 -14.522 38.516 1.00 0.18 N ATOM 1020 CA TRP B 19 96.426 -13.917 37.164 1.00 0.17 C ATOM 1021 C TRP B 19 97.878 -13.476 36.955 1.00 0.18 C ATOM 1022 O TRP B 19 98.359 -13.431 35.840 1.00 0.17 O ATOM 1023 CB TRP B 19 95.483 -12.719 37.004 1.00 0.18 C ATOM 1024 CG TRP B 19 95.933 -11.579 37.861 1.00 0.22 C ATOM 1025 CD1 TRP B 19 95.447 -11.288 39.090 1.00 0.26 C ATOM 1026 CD2 TRP B 19 96.937 -10.567 37.566 1.00 0.24 C ATOM 1027 NE1 TRP B 19 96.091 -10.160 39.572 1.00 0.30 N ATOM 1028 CE2 TRP B 19 97.020 -9.678 38.670 1.00 0.29 C ATOM 1029 CE3 TRP B 19 97.782 -10.335 36.455 1.00 0.24 C ATOM 1030 CZ2 TRP B 19 97.909 -8.594 38.673 1.00 0.33 C ATOM 1031 CZ3 TRP B 19 98.679 -9.246 36.454 1.00 0.29 C ATOM 1032 CH2 TRP B 19 98.741 -8.377 37.561 1.00 0.33 C ATOM 0 H TRP B 19 95.548 -14.070 39.105 1.00 0.18 H new ATOM 0 HA TRP B 19 96.185 -14.668 36.411 1.00 0.17 H new ATOM 0 HB2 TRP B 19 95.455 -12.408 35.960 1.00 0.18 H new ATOM 0 HB3 TRP B 19 94.468 -13.009 37.277 1.00 0.18 H new ATOM 0 HD1 TRP B 19 94.682 -11.845 39.610 1.00 0.26 H new ATOM 0 HE1 TRP B 19 95.902 -9.737 40.481 1.00 0.30 H new ATOM 0 HE3 TRP B 19 97.740 -10.996 35.602 1.00 0.24 H new ATOM 0 HZ2 TRP B 19 97.954 -7.930 39.524 1.00 0.33 H new ATOM 0 HZ3 TRP B 19 99.320 -9.078 35.601 1.00 0.29 H new ATOM 0 HH2 TRP B 19 99.428 -7.544 37.555 1.00 0.33 H new ATOM 1043 N ARG B 20 98.586 -13.151 38.001 1.00 0.21 N ATOM 1044 CA ARG B 20 100.002 -12.718 37.818 1.00 0.23 C ATOM 1045 C ARG B 20 100.826 -13.873 37.261 1.00 0.23 C ATOM 1046 O ARG B 20 101.621 -13.708 36.357 1.00 0.25 O ATOM 1047 CB ARG B 20 100.609 -12.319 39.160 1.00 0.28 C ATOM 1048 CG ARG B 20 99.960 -11.036 39.685 1.00 0.30 C ATOM 1049 CD ARG B 20 100.824 -10.449 40.819 1.00 0.37 C ATOM 1050 NE ARG B 20 99.946 -9.852 41.860 1.00 1.44 N ATOM 1051 CZ ARG B 20 100.440 -9.572 43.033 1.00 1.80 C ATOM 1052 NH1 ARG B 20 101.708 -9.777 43.268 1.00 1.41 N ATOM 1053 NH2 ARG B 20 99.672 -9.087 43.969 1.00 2.95 N ATOM 0 H ARG B 20 98.252 -13.165 38.965 1.00 0.21 H new ATOM 0 HA ARG B 20 100.014 -11.871 37.132 1.00 0.23 H new ATOM 0 HB2 ARG B 20 100.471 -13.124 39.881 1.00 0.28 H new ATOM 0 HB3 ARG B 20 101.683 -12.171 39.050 1.00 0.28 H new ATOM 0 HG2 ARG B 20 99.859 -10.311 38.878 1.00 0.30 H new ATOM 0 HG3 ARG B 20 98.955 -11.248 40.051 1.00 0.30 H new ATOM 0 HD2 ARG B 20 101.445 -11.230 41.258 1.00 0.37 H new ATOM 0 HD3 ARG B 20 101.499 -9.691 40.420 1.00 0.37 H new ATOM 0 HE ARG B 20 98.964 -9.663 41.658 1.00 1.44 H new ATOM 0 HH11 ARG B 20 102.308 -10.155 42.535 1.00 1.41 H new ATOM 0 HH12 ARG B 20 102.099 -9.559 44.185 1.00 1.41 H new ATOM 0 HH21 ARG B 20 98.682 -8.926 43.784 1.00 2.95 H new ATOM 0 HH22 ARG B 20 100.061 -8.869 44.886 1.00 2.95 H new ATOM 1067 N ALA B 21 100.652 -15.040 37.809 1.00 0.23 N ATOM 1068 CA ALA B 21 101.437 -16.207 37.331 1.00 0.24 C ATOM 1069 C ALA B 21 101.059 -16.507 35.881 1.00 0.22 C ATOM 1070 O ALA B 21 101.908 -16.707 35.035 1.00 0.24 O ATOM 1071 CB ALA B 21 101.130 -17.422 38.224 1.00 0.26 C ATOM 0 H ALA B 21 99.999 -15.236 38.568 1.00 0.23 H new ATOM 0 HA ALA B 21 102.504 -15.988 37.382 1.00 0.24 H new ATOM 0 HB1 ALA B 21 101.703 -18.282 37.878 1.00 0.26 H new ATOM 0 HB2 ALA B 21 101.403 -17.195 39.254 1.00 0.26 H new ATOM 0 HB3 ALA B 21 100.066 -17.651 38.173 1.00 0.26 H new ATOM 1077 N MET B 22 99.790 -16.539 35.588 1.00 0.20 N ATOM 1078 CA MET B 22 99.368 -16.823 34.193 1.00 0.20 C ATOM 1079 C MET B 22 99.904 -15.732 33.272 1.00 0.21 C ATOM 1080 O MET B 22 100.369 -15.995 32.181 1.00 0.23 O ATOM 1081 CB MET B 22 97.847 -16.853 34.105 1.00 0.20 C ATOM 1082 CG MET B 22 97.319 -18.093 34.824 1.00 0.25 C ATOM 1083 SD MET B 22 95.562 -18.295 34.449 1.00 0.52 S ATOM 1084 CE MET B 22 94.951 -16.878 35.385 1.00 0.30 C ATOM 0 H MET B 22 99.031 -16.381 36.252 1.00 0.20 H new ATOM 0 HA MET B 22 99.764 -17.792 33.889 1.00 0.20 H new ATOM 0 HB2 MET B 22 97.428 -15.953 34.555 1.00 0.20 H new ATOM 0 HB3 MET B 22 97.533 -16.863 33.061 1.00 0.20 H new ATOM 0 HG2 MET B 22 97.874 -18.976 34.507 1.00 0.25 H new ATOM 0 HG3 MET B 22 97.464 -17.994 35.900 1.00 0.25 H new ATOM 0 HE1 MET B 22 93.869 -16.954 35.496 1.00 0.30 H new ATOM 0 HE2 MET B 22 95.417 -16.864 36.370 1.00 0.30 H new ATOM 0 HE3 MET B 22 95.197 -15.958 34.855 1.00 0.30 H new ATOM 1094 N ALA B 23 99.843 -14.506 33.708 1.00 0.20 N ATOM 1095 CA ALA B 23 100.350 -13.389 32.862 1.00 0.23 C ATOM 1096 C ALA B 23 101.837 -13.606 32.568 1.00 0.25 C ATOM 1097 O ALA B 23 102.294 -13.439 31.455 1.00 0.25 O ATOM 1098 CB ALA B 23 100.156 -12.062 33.602 1.00 0.25 C ATOM 0 H ALA B 23 99.464 -14.228 34.613 1.00 0.20 H new ATOM 0 HA ALA B 23 99.798 -13.362 31.922 1.00 0.23 H new ATOM 0 HB1 ALA B 23 100.526 -11.244 32.985 1.00 0.25 H new ATOM 0 HB2 ALA B 23 99.096 -11.911 33.807 1.00 0.25 H new ATOM 0 HB3 ALA B 23 100.707 -12.086 34.542 1.00 0.25 H new ATOM 1104 N SER B 24 102.593 -13.974 33.563 1.00 0.26 N ATOM 1105 CA SER B 24 104.051 -14.200 33.357 1.00 0.29 C ATOM 1106 C SER B 24 104.269 -15.487 32.544 1.00 0.28 C ATOM 1107 O SER B 24 105.160 -15.569 31.722 1.00 0.30 O ATOM 1108 CB SER B 24 104.738 -14.293 34.729 1.00 0.32 C ATOM 1109 OG SER B 24 105.813 -13.363 34.778 1.00 1.21 O ATOM 0 H SER B 24 102.263 -14.129 34.515 1.00 0.26 H new ATOM 0 HA SER B 24 104.485 -13.371 32.798 1.00 0.29 H new ATOM 0 HB2 SER B 24 104.022 -14.081 35.523 1.00 0.32 H new ATOM 0 HB3 SER B 24 105.109 -15.304 34.896 1.00 0.32 H new ATOM 0 HG SER B 24 106.253 -13.417 35.652 1.00 1.21 H new ATOM 1115 N ASP B 25 103.467 -16.492 32.773 1.00 0.27 N ATOM 1116 CA ASP B 25 103.632 -17.772 32.018 1.00 0.27 C ATOM 1117 C ASP B 25 103.469 -17.508 30.516 1.00 0.27 C ATOM 1118 O ASP B 25 104.249 -17.976 29.711 1.00 0.30 O ATOM 1119 CB ASP B 25 102.557 -18.781 32.482 1.00 0.26 C ATOM 1120 CG ASP B 25 103.083 -19.690 33.605 1.00 1.11 C ATOM 1121 OD1 ASP B 25 104.236 -19.552 33.978 1.00 1.84 O ATOM 1122 OD2 ASP B 25 102.316 -20.519 34.068 1.00 1.87 O ATOM 0 H ASP B 25 102.704 -16.484 33.450 1.00 0.27 H new ATOM 0 HA ASP B 25 104.625 -18.181 32.208 1.00 0.27 H new ATOM 0 HB2 ASP B 25 101.677 -18.241 32.832 1.00 0.26 H new ATOM 0 HB3 ASP B 25 102.241 -19.392 31.636 1.00 0.26 H new ATOM 1127 N PHE B 26 102.449 -16.781 30.137 1.00 0.24 N ATOM 1128 CA PHE B 26 102.209 -16.501 28.684 1.00 0.25 C ATOM 1129 C PHE B 26 102.577 -15.051 28.344 1.00 0.26 C ATOM 1130 O PHE B 26 102.404 -14.609 27.225 1.00 0.27 O ATOM 1131 CB PHE B 26 100.733 -16.752 28.375 1.00 0.24 C ATOM 1132 CG PHE B 26 100.415 -18.204 28.654 1.00 0.23 C ATOM 1133 CD1 PHE B 26 100.040 -18.607 29.951 1.00 0.21 C ATOM 1134 CD2 PHE B 26 100.503 -19.156 27.619 1.00 0.27 C ATOM 1135 CE1 PHE B 26 99.752 -19.962 30.211 1.00 0.23 C ATOM 1136 CE2 PHE B 26 100.214 -20.509 27.880 1.00 0.28 C ATOM 1137 CZ PHE B 26 99.839 -20.912 29.176 1.00 0.26 C ATOM 0 H PHE B 26 101.768 -16.366 30.773 1.00 0.24 H new ATOM 0 HA PHE B 26 102.835 -17.158 28.080 1.00 0.25 H new ATOM 0 HB2 PHE B 26 100.104 -16.104 28.986 1.00 0.24 H new ATOM 0 HB3 PHE B 26 100.520 -16.513 27.333 1.00 0.24 H new ATOM 0 HD1 PHE B 26 99.973 -17.878 30.745 1.00 0.21 H new ATOM 0 HD2 PHE B 26 100.792 -18.848 26.625 1.00 0.27 H new ATOM 0 HE1 PHE B 26 99.464 -20.272 31.205 1.00 0.23 H new ATOM 0 HE2 PHE B 26 100.280 -21.238 27.086 1.00 0.28 H new ATOM 0 HZ PHE B 26 99.618 -21.950 29.376 1.00 0.26 H new ATOM 1147 N ASN B 27 103.095 -14.311 29.287 1.00 0.27 N ATOM 1148 CA ASN B 27 103.485 -12.896 28.997 1.00 0.28 C ATOM 1149 C ASN B 27 102.285 -12.127 28.409 1.00 0.26 C ATOM 1150 O ASN B 27 102.416 -11.398 27.445 1.00 0.28 O ATOM 1151 CB ASN B 27 104.669 -12.883 27.994 1.00 0.31 C ATOM 1152 CG ASN B 27 106.017 -12.845 28.728 1.00 1.24 C ATOM 1153 OD1 ASN B 27 106.078 -12.610 29.919 1.00 2.05 O ATOM 1154 ND2 ASN B 27 107.112 -13.055 28.051 1.00 1.92 N ATOM 0 H ASN B 27 103.266 -14.621 30.244 1.00 0.27 H new ATOM 0 HA ASN B 27 103.791 -12.409 29.923 1.00 0.28 H new ATOM 0 HB2 ASN B 27 104.622 -13.768 27.360 1.00 0.31 H new ATOM 0 HB3 ASN B 27 104.584 -12.016 27.338 1.00 0.31 H new ATOM 0 HD21 ASN B 27 108.017 -13.022 28.521 1.00 1.92 H new ATOM 0 HD22 ASN B 27 107.064 -13.252 27.051 1.00 1.92 H new ATOM 1161 N LEU B 28 101.120 -12.272 28.986 1.00 0.25 N ATOM 1162 CA LEU B 28 99.916 -11.539 28.469 1.00 0.25 C ATOM 1163 C LEU B 28 99.528 -10.458 29.484 1.00 0.25 C ATOM 1164 O LEU B 28 99.755 -10.617 30.666 1.00 0.28 O ATOM 1165 CB LEU B 28 98.760 -12.531 28.315 1.00 0.25 C ATOM 1166 CG LEU B 28 99.100 -13.555 27.218 1.00 0.26 C ATOM 1167 CD1 LEU B 28 98.069 -14.695 27.229 1.00 0.27 C ATOM 1168 CD2 LEU B 28 99.102 -12.871 25.830 1.00 0.30 C ATOM 0 H LEU B 28 100.946 -12.867 29.796 1.00 0.25 H new ATOM 0 HA LEU B 28 100.136 -11.080 27.505 1.00 0.25 H new ATOM 0 HB2 LEU B 28 98.578 -13.043 29.260 1.00 0.25 H new ATOM 0 HB3 LEU B 28 97.843 -12.000 28.059 1.00 0.25 H new ATOM 0 HG LEU B 28 100.092 -13.962 27.415 1.00 0.26 H new ATOM 0 HD11 LEU B 28 98.316 -15.416 26.450 1.00 0.27 H new ATOM 0 HD12 LEU B 28 98.084 -15.190 28.200 1.00 0.27 H new ATOM 0 HD13 LEU B 28 97.075 -14.288 27.045 1.00 0.27 H new ATOM 0 HD21 LEU B 28 99.344 -13.606 25.062 1.00 0.30 H new ATOM 0 HD22 LEU B 28 98.117 -12.449 25.631 1.00 0.30 H new ATOM 0 HD23 LEU B 28 99.847 -12.075 25.818 1.00 0.30 H new ATOM 1180 N PRO B 29 98.952 -9.359 29.047 1.00 0.24 N ATOM 1181 CA PRO B 29 98.555 -8.267 29.978 1.00 0.26 C ATOM 1182 C PRO B 29 97.557 -8.769 31.039 1.00 0.21 C ATOM 1183 O PRO B 29 96.822 -9.709 30.807 1.00 0.26 O ATOM 1184 CB PRO B 29 97.921 -7.189 29.072 1.00 0.29 C ATOM 1185 CG PRO B 29 97.640 -7.867 27.762 1.00 0.37 C ATOM 1186 CD PRO B 29 98.626 -9.032 27.648 1.00 0.25 C ATOM 0 HA PRO B 29 99.405 -7.879 30.540 1.00 0.26 H new ATOM 0 HB2 PRO B 29 97.005 -6.797 29.514 1.00 0.29 H new ATOM 0 HB3 PRO B 29 98.597 -6.344 28.938 1.00 0.29 H new ATOM 0 HG2 PRO B 29 96.611 -8.226 27.725 1.00 0.37 H new ATOM 0 HG3 PRO B 29 97.765 -7.172 26.932 1.00 0.37 H new ATOM 0 HD2 PRO B 29 98.181 -9.883 27.132 1.00 0.25 H new ATOM 0 HD3 PRO B 29 99.516 -8.749 27.086 1.00 0.25 H new ATOM 1194 N PRO B 30 97.544 -8.158 32.198 1.00 0.21 N ATOM 1195 CA PRO B 30 96.637 -8.566 33.304 1.00 0.19 C ATOM 1196 C PRO B 30 95.204 -8.819 32.825 1.00 0.17 C ATOM 1197 O PRO B 30 94.501 -9.654 33.354 1.00 0.18 O ATOM 1198 CB PRO B 30 96.665 -7.382 34.297 1.00 0.21 C ATOM 1199 CG PRO B 30 97.780 -6.459 33.865 1.00 0.53 C ATOM 1200 CD PRO B 30 98.395 -7.018 32.571 1.00 0.31 C ATOM 0 HA PRO B 30 96.967 -9.505 33.748 1.00 0.19 H new ATOM 0 HB2 PRO B 30 95.710 -6.857 34.296 1.00 0.21 H new ATOM 0 HB3 PRO B 30 96.833 -7.737 35.314 1.00 0.21 H new ATOM 0 HG2 PRO B 30 97.397 -5.452 33.699 1.00 0.53 H new ATOM 0 HG3 PRO B 30 98.538 -6.387 34.645 1.00 0.53 H new ATOM 0 HD2 PRO B 30 98.409 -6.264 31.784 1.00 0.31 H new ATOM 0 HD3 PRO B 30 99.427 -7.332 32.730 1.00 0.31 H new ATOM 1208 N VAL B 31 94.762 -8.081 31.852 1.00 0.17 N ATOM 1209 CA VAL B 31 93.366 -8.244 31.367 1.00 0.18 C ATOM 1210 C VAL B 31 93.132 -9.674 30.917 1.00 0.15 C ATOM 1211 O VAL B 31 92.161 -10.298 31.296 1.00 0.15 O ATOM 1212 CB VAL B 31 93.139 -7.282 30.187 1.00 0.24 C ATOM 1213 CG1 VAL B 31 91.719 -7.449 29.596 1.00 0.30 C ATOM 1214 CG2 VAL B 31 93.358 -5.821 30.668 1.00 0.26 C ATOM 0 H VAL B 31 95.308 -7.368 31.368 1.00 0.17 H new ATOM 0 HA VAL B 31 92.669 -8.017 32.173 1.00 0.18 H new ATOM 0 HB VAL B 31 93.854 -7.518 29.399 1.00 0.24 H new ATOM 0 HG11 VAL B 31 91.587 -6.757 28.764 1.00 0.30 H new ATOM 0 HG12 VAL B 31 91.591 -8.472 29.241 1.00 0.30 H new ATOM 0 HG13 VAL B 31 90.977 -7.236 30.366 1.00 0.30 H new ATOM 0 HG21 VAL B 31 93.198 -5.136 29.835 1.00 0.26 H new ATOM 0 HG22 VAL B 31 92.653 -5.591 31.467 1.00 0.26 H new ATOM 0 HG23 VAL B 31 94.377 -5.709 31.040 1.00 0.26 H new ATOM 1224 N VAL B 32 93.985 -10.199 30.104 1.00 0.14 N ATOM 1225 CA VAL B 32 93.753 -11.584 29.643 1.00 0.13 C ATOM 1226 C VAL B 32 93.866 -12.534 30.834 1.00 0.12 C ATOM 1227 O VAL B 32 93.021 -13.380 31.047 1.00 0.12 O ATOM 1228 CB VAL B 32 94.782 -11.967 28.574 1.00 0.14 C ATOM 1229 CG1 VAL B 32 94.530 -13.424 28.089 1.00 0.16 C ATOM 1230 CG2 VAL B 32 94.681 -10.977 27.400 1.00 0.17 C ATOM 0 H VAL B 32 94.821 -9.741 29.741 1.00 0.14 H new ATOM 0 HA VAL B 32 92.756 -11.656 29.208 1.00 0.13 H new ATOM 0 HB VAL B 32 95.786 -11.919 28.995 1.00 0.14 H new ATOM 0 HG11 VAL B 32 95.266 -13.687 27.329 1.00 0.16 H new ATOM 0 HG12 VAL B 32 94.618 -14.109 28.933 1.00 0.16 H new ATOM 0 HG13 VAL B 32 93.529 -13.498 27.665 1.00 0.16 H new ATOM 0 HG21 VAL B 32 95.411 -11.244 26.635 1.00 0.17 H new ATOM 0 HG22 VAL B 32 93.678 -11.018 26.975 1.00 0.17 H new ATOM 0 HG23 VAL B 32 94.882 -9.967 27.757 1.00 0.17 H new ATOM 1240 N ALA B 33 94.905 -12.410 31.606 1.00 0.12 N ATOM 1241 CA ALA B 33 95.068 -13.317 32.773 1.00 0.13 C ATOM 1242 C ALA B 33 93.955 -13.070 33.794 1.00 0.12 C ATOM 1243 O ALA B 33 93.387 -13.999 34.337 1.00 0.12 O ATOM 1244 CB ALA B 33 96.429 -13.067 33.426 1.00 0.16 C ATOM 0 H ALA B 33 95.647 -11.722 31.481 1.00 0.12 H new ATOM 0 HA ALA B 33 95.010 -14.350 32.431 1.00 0.13 H new ATOM 0 HB1 ALA B 33 96.550 -13.731 34.282 1.00 0.16 H new ATOM 0 HB2 ALA B 33 97.221 -13.260 32.702 1.00 0.16 H new ATOM 0 HB3 ALA B 33 96.488 -12.031 33.760 1.00 0.16 H new ATOM 1250 N LYS B 34 93.630 -11.834 34.069 1.00 0.12 N ATOM 1251 CA LYS B 34 92.553 -11.571 35.062 1.00 0.13 C ATOM 1252 C LYS B 34 91.209 -12.074 34.536 1.00 0.12 C ATOM 1253 O LYS B 34 90.376 -12.529 35.293 1.00 0.12 O ATOM 1254 CB LYS B 34 92.478 -10.077 35.393 1.00 0.17 C ATOM 1255 CG LYS B 34 93.695 -9.706 36.265 1.00 0.23 C ATOM 1256 CD LYS B 34 93.736 -8.198 36.647 1.00 0.65 C ATOM 1257 CE LYS B 34 92.342 -7.555 36.667 1.00 1.08 C ATOM 1258 NZ LYS B 34 92.460 -6.151 37.152 1.00 1.74 N ATOM 0 H LYS B 34 94.058 -11.007 33.654 1.00 0.12 H new ATOM 0 HA LYS B 34 92.789 -12.112 35.978 1.00 0.13 H new ATOM 0 HB2 LYS B 34 92.474 -9.486 34.477 1.00 0.17 H new ATOM 0 HB3 LYS B 34 91.551 -9.852 35.921 1.00 0.17 H new ATOM 0 HG2 LYS B 34 93.678 -10.305 37.176 1.00 0.23 H new ATOM 0 HG3 LYS B 34 94.609 -9.964 35.731 1.00 0.23 H new ATOM 0 HD2 LYS B 34 94.197 -8.088 37.629 1.00 0.65 H new ATOM 0 HD3 LYS B 34 94.368 -7.664 35.937 1.00 0.65 H new ATOM 0 HE2 LYS B 34 91.905 -7.572 35.668 1.00 1.08 H new ATOM 0 HE3 LYS B 34 91.675 -8.122 37.316 1.00 1.08 H new ATOM 0 HZ1 LYS B 34 91.519 -5.709 37.168 1.00 1.74 H new ATOM 0 HZ2 LYS B 34 92.860 -6.148 38.112 1.00 1.74 H new ATOM 0 HZ3 LYS B 34 93.083 -5.615 36.515 1.00 1.74 H new ATOM 1272 N GLU B 35 90.979 -12.000 33.254 1.00 0.11 N ATOM 1273 CA GLU B 35 89.674 -12.484 32.725 1.00 0.13 C ATOM 1274 C GLU B 35 89.520 -13.969 33.058 1.00 0.12 C ATOM 1275 O GLU B 35 88.457 -14.424 33.423 1.00 0.14 O ATOM 1276 CB GLU B 35 89.620 -12.274 31.205 1.00 0.15 C ATOM 1277 CG GLU B 35 88.182 -12.453 30.682 1.00 0.21 C ATOM 1278 CD GLU B 35 87.857 -13.942 30.490 1.00 0.27 C ATOM 1279 OE1 GLU B 35 88.117 -14.453 29.414 1.00 1.12 O ATOM 1280 OE2 GLU B 35 87.337 -14.540 31.413 1.00 1.11 O ATOM 0 H GLU B 35 91.628 -11.631 32.559 1.00 0.11 H new ATOM 0 HA GLU B 35 88.859 -11.924 33.184 1.00 0.13 H new ATOM 0 HB2 GLU B 35 89.981 -11.276 30.958 1.00 0.15 H new ATOM 0 HB3 GLU B 35 90.283 -12.984 30.711 1.00 0.15 H new ATOM 0 HG2 GLU B 35 87.476 -12.009 31.384 1.00 0.21 H new ATOM 0 HG3 GLU B 35 88.065 -11.925 29.736 1.00 0.21 H new ATOM 1287 N ILE B 36 90.569 -14.736 32.949 1.00 0.12 N ATOM 1288 CA ILE B 36 90.442 -16.185 33.271 1.00 0.13 C ATOM 1289 C ILE B 36 90.000 -16.346 34.721 1.00 0.13 C ATOM 1290 O ILE B 36 89.180 -17.183 35.040 1.00 0.15 O ATOM 1291 CB ILE B 36 91.784 -16.888 33.073 1.00 0.14 C ATOM 1292 CG1 ILE B 36 92.202 -16.727 31.600 1.00 0.16 C ATOM 1293 CG2 ILE B 36 91.653 -18.393 33.446 1.00 0.18 C ATOM 1294 CD1 ILE B 36 93.593 -17.362 31.351 1.00 0.18 C ATOM 0 H ILE B 36 91.496 -14.428 32.655 1.00 0.12 H new ATOM 0 HA ILE B 36 89.703 -16.632 32.606 1.00 0.13 H new ATOM 0 HB ILE B 36 92.543 -16.446 33.718 1.00 0.14 H new ATOM 0 HG12 ILE B 36 91.461 -17.198 30.953 1.00 0.16 H new ATOM 0 HG13 ILE B 36 92.228 -15.669 31.338 1.00 0.16 H new ATOM 0 HG21 ILE B 36 92.613 -18.888 33.303 1.00 0.18 H new ATOM 0 HG22 ILE B 36 91.350 -18.484 34.489 1.00 0.18 H new ATOM 0 HG23 ILE B 36 90.904 -18.862 32.808 1.00 0.18 H new ATOM 0 HD11 ILE B 36 93.868 -17.236 30.304 1.00 0.18 H new ATOM 0 HD12 ILE B 36 94.335 -16.872 31.982 1.00 0.18 H new ATOM 0 HD13 ILE B 36 93.556 -18.424 31.592 1.00 0.18 H new ATOM 1306 N VAL B 37 90.525 -15.546 35.603 1.00 0.12 N ATOM 1307 CA VAL B 37 90.114 -15.660 37.028 1.00 0.14 C ATOM 1308 C VAL B 37 88.620 -15.368 37.115 1.00 0.16 C ATOM 1309 O VAL B 37 87.886 -16.006 37.843 1.00 0.18 O ATOM 1310 CB VAL B 37 90.884 -14.637 37.877 1.00 0.16 C ATOM 1311 CG1 VAL B 37 90.339 -14.629 39.335 1.00 0.22 C ATOM 1312 CG2 VAL B 37 92.378 -14.999 37.851 1.00 0.18 C ATOM 0 H VAL B 37 91.216 -14.823 35.402 1.00 0.12 H new ATOM 0 HA VAL B 37 90.331 -16.661 37.401 1.00 0.14 H new ATOM 0 HB VAL B 37 90.750 -13.636 37.467 1.00 0.16 H new ATOM 0 HG11 VAL B 37 90.893 -13.900 39.926 1.00 0.22 H new ATOM 0 HG12 VAL B 37 89.282 -14.362 39.327 1.00 0.22 H new ATOM 0 HG13 VAL B 37 90.460 -15.619 39.774 1.00 0.22 H new ATOM 0 HG21 VAL B 37 92.937 -14.280 38.450 1.00 0.18 H new ATOM 0 HG22 VAL B 37 92.517 -15.999 38.261 1.00 0.18 H new ATOM 0 HG23 VAL B 37 92.741 -14.974 36.823 1.00 0.18 H new ATOM 1322 N ALA B 38 88.170 -14.403 36.366 1.00 0.16 N ATOM 1323 CA ALA B 38 86.727 -14.045 36.379 1.00 0.20 C ATOM 1324 C ALA B 38 85.887 -15.226 35.880 1.00 0.21 C ATOM 1325 O ALA B 38 84.742 -15.381 36.251 1.00 0.27 O ATOM 1326 CB ALA B 38 86.512 -12.828 35.482 1.00 0.21 C ATOM 0 H ALA B 38 88.746 -13.842 35.739 1.00 0.16 H new ATOM 0 HA ALA B 38 86.416 -13.808 37.397 1.00 0.20 H new ATOM 0 HB1 ALA B 38 85.456 -12.556 35.484 1.00 0.21 H new ATOM 0 HB2 ALA B 38 87.103 -11.992 35.856 1.00 0.21 H new ATOM 0 HB3 ALA B 38 86.823 -13.066 34.465 1.00 0.21 H new ATOM 1332 N SER B 39 86.435 -16.071 35.050 1.00 0.19 N ATOM 1333 CA SER B 39 85.638 -17.235 34.562 1.00 0.24 C ATOM 1334 C SER B 39 85.678 -18.329 35.626 1.00 0.23 C ATOM 1335 O SER B 39 84.810 -19.176 35.698 1.00 0.27 O ATOM 1336 CB SER B 39 86.238 -17.768 33.261 1.00 0.26 C ATOM 1337 OG SER B 39 86.079 -16.795 32.237 1.00 0.29 O ATOM 0 H SER B 39 87.388 -16.009 34.692 1.00 0.19 H new ATOM 0 HA SER B 39 84.609 -16.927 34.375 1.00 0.24 H new ATOM 0 HB2 SER B 39 87.295 -17.996 33.401 1.00 0.26 H new ATOM 0 HB3 SER B 39 85.747 -18.698 32.975 1.00 0.26 H new ATOM 0 HG SER B 39 86.778 -16.114 32.322 1.00 0.29 H new ATOM 1343 N CYS B 40 86.678 -18.306 36.466 1.00 0.21 N ATOM 1344 CA CYS B 40 86.777 -19.331 37.542 1.00 0.21 C ATOM 1345 C CYS B 40 85.939 -18.884 38.740 1.00 0.23 C ATOM 1346 O CYS B 40 86.332 -18.024 39.502 1.00 0.23 O ATOM 1347 CB CYS B 40 88.234 -19.486 37.970 1.00 0.20 C ATOM 1348 SG CYS B 40 88.335 -20.688 39.318 1.00 0.22 S ATOM 0 H CYS B 40 87.432 -17.619 36.452 1.00 0.21 H new ATOM 0 HA CYS B 40 86.407 -20.287 37.171 1.00 0.21 H new ATOM 0 HB2 CYS B 40 88.840 -19.816 37.126 1.00 0.20 H new ATOM 0 HB3 CYS B 40 88.635 -18.525 38.293 1.00 0.20 H new ATOM 1353 N ASP B 41 84.784 -19.462 38.907 1.00 0.26 N ATOM 1354 CA ASP B 41 83.907 -19.079 40.048 1.00 0.30 C ATOM 1355 C ASP B 41 84.623 -19.348 41.373 1.00 0.30 C ATOM 1356 O ASP B 41 84.383 -18.683 42.362 1.00 0.32 O ATOM 1357 CB ASP B 41 82.619 -19.901 39.994 1.00 0.35 C ATOM 1358 CG ASP B 41 81.787 -19.468 38.786 1.00 0.38 C ATOM 1359 OD1 ASP B 41 82.019 -18.377 38.292 1.00 1.10 O ATOM 1360 OD2 ASP B 41 80.932 -20.236 38.375 1.00 1.17 O ATOM 0 H ASP B 41 84.407 -20.188 38.298 1.00 0.26 H new ATOM 0 HA ASP B 41 83.672 -18.017 39.977 1.00 0.30 H new ATOM 0 HB2 ASP B 41 82.855 -20.963 39.924 1.00 0.35 H new ATOM 0 HB3 ASP B 41 82.047 -19.761 40.911 1.00 0.35 H new ATOM 1365 N LYS B 42 85.481 -20.329 41.411 1.00 0.28 N ATOM 1366 CA LYS B 42 86.188 -20.648 42.684 1.00 0.31 C ATOM 1367 C LYS B 42 87.170 -19.535 43.051 1.00 0.31 C ATOM 1368 O LYS B 42 87.283 -19.152 44.199 1.00 0.49 O ATOM 1369 CB LYS B 42 86.975 -21.950 42.516 1.00 0.32 C ATOM 1370 CG LYS B 42 86.019 -23.143 42.420 1.00 0.35 C ATOM 1371 CD LYS B 42 86.840 -24.445 42.255 1.00 0.39 C ATOM 1372 CE LYS B 42 86.069 -25.671 42.788 1.00 0.96 C ATOM 1373 NZ LYS B 42 85.262 -26.275 41.692 1.00 1.74 N ATOM 0 H LYS B 42 85.723 -20.923 40.618 1.00 0.28 H new ATOM 0 HA LYS B 42 85.443 -20.748 43.474 1.00 0.31 H new ATOM 0 HB2 LYS B 42 87.591 -21.897 41.619 1.00 0.32 H new ATOM 0 HB3 LYS B 42 87.652 -22.085 43.360 1.00 0.32 H new ATOM 0 HG2 LYS B 42 85.400 -23.201 43.315 1.00 0.35 H new ATOM 0 HG3 LYS B 42 85.344 -23.016 41.574 1.00 0.35 H new ATOM 0 HD2 LYS B 42 87.080 -24.594 41.202 1.00 0.39 H new ATOM 0 HD3 LYS B 42 87.786 -24.350 42.787 1.00 0.39 H new ATOM 0 HE2 LYS B 42 86.768 -26.407 43.185 1.00 0.96 H new ATOM 0 HE3 LYS B 42 85.418 -25.373 43.610 1.00 0.96 H new ATOM 0 HZ1 LYS B 42 84.745 -27.100 42.056 1.00 1.74 H new ATOM 0 HZ2 LYS B 42 84.584 -25.573 41.332 1.00 1.74 H new ATOM 0 HZ3 LYS B 42 85.893 -26.574 40.921 1.00 1.74 H new ATOM 1387 N CYS B 43 87.888 -19.016 42.094 1.00 0.28 N ATOM 1388 CA CYS B 43 88.869 -17.935 42.402 1.00 0.27 C ATOM 1389 C CYS B 43 88.169 -16.573 42.391 1.00 0.30 C ATOM 1390 O CYS B 43 88.634 -15.627 42.995 1.00 0.40 O ATOM 1391 CB CYS B 43 89.987 -17.950 41.360 1.00 0.25 C ATOM 1392 SG CYS B 43 91.017 -19.422 41.602 1.00 0.24 S ATOM 0 H CYS B 43 87.839 -19.292 41.113 1.00 0.28 H new ATOM 0 HA CYS B 43 89.292 -18.106 43.392 1.00 0.27 H new ATOM 0 HB2 CYS B 43 89.563 -17.951 40.356 1.00 0.25 H new ATOM 0 HB3 CYS B 43 90.594 -17.049 41.449 1.00 0.25 H new ATOM 1397 N GLN B 44 87.055 -16.458 41.713 1.00 0.33 N ATOM 1398 CA GLN B 44 86.349 -15.143 41.683 1.00 0.39 C ATOM 1399 C GLN B 44 85.583 -14.963 42.991 1.00 0.40 C ATOM 1400 O GLN B 44 85.969 -14.181 43.837 1.00 0.55 O ATOM 1401 CB GLN B 44 85.371 -15.098 40.510 1.00 0.50 C ATOM 1402 CG GLN B 44 84.810 -13.680 40.376 1.00 0.59 C ATOM 1403 CD GLN B 44 83.707 -13.664 39.320 1.00 0.75 C ATOM 1404 OE1 GLN B 44 82.658 -13.089 39.528 1.00 1.03 O ATOM 1405 NE2 GLN B 44 83.901 -14.276 38.187 1.00 1.14 N ATOM 0 H GLN B 44 86.609 -17.208 41.185 1.00 0.33 H new ATOM 0 HA GLN B 44 87.079 -14.342 41.564 1.00 0.39 H new ATOM 0 HB2 GLN B 44 85.875 -15.391 39.589 1.00 0.50 H new ATOM 0 HB3 GLN B 44 84.560 -15.809 40.669 1.00 0.50 H new ATOM 0 HG2 GLN B 44 84.415 -13.342 41.334 1.00 0.59 H new ATOM 0 HG3 GLN B 44 85.605 -12.988 40.097 1.00 0.59 H new ATOM 0 HE21 GLN B 44 84.782 -14.759 38.013 1.00 1.14 H new ATOM 0 HE22 GLN B 44 83.172 -14.272 37.474 1.00 1.14 H new ATOM 1414 N LEU B 45 84.523 -15.701 43.197 1.00 0.41 N ATOM 1415 CA LEU B 45 83.799 -15.563 44.492 1.00 0.52 C ATOM 1416 C LEU B 45 84.612 -16.356 45.505 1.00 0.66 C ATOM 1417 O LEU B 45 84.653 -17.570 45.496 1.00 1.00 O ATOM 1418 CB LEU B 45 82.362 -16.105 44.376 1.00 0.62 C ATOM 1419 CG LEU B 45 81.692 -15.619 43.071 1.00 0.63 C ATOM 1420 CD1 LEU B 45 80.360 -16.357 42.883 1.00 0.84 C ATOM 1421 CD2 LEU B 45 81.424 -14.095 43.113 1.00 0.64 C ATOM 0 H LEU B 45 84.135 -16.378 42.540 1.00 0.41 H new ATOM 0 HA LEU B 45 83.705 -14.520 44.793 1.00 0.52 H new ATOM 0 HB2 LEU B 45 82.377 -17.195 44.397 1.00 0.62 H new ATOM 0 HB3 LEU B 45 81.775 -15.778 45.234 1.00 0.62 H new ATOM 0 HG LEU B 45 82.366 -15.829 42.240 1.00 0.63 H new ATOM 0 HD11 LEU B 45 79.883 -16.018 41.964 1.00 0.84 H new ATOM 0 HD12 LEU B 45 80.544 -17.430 42.822 1.00 0.84 H new ATOM 0 HD13 LEU B 45 79.706 -16.148 43.730 1.00 0.84 H new ATOM 0 HD21 LEU B 45 80.952 -13.783 42.181 1.00 0.64 H new ATOM 0 HD22 LEU B 45 80.764 -13.865 43.949 1.00 0.64 H new ATOM 0 HD23 LEU B 45 82.367 -13.563 43.238 1.00 0.64 H new ATOM 1433 N LYS B 46 85.324 -15.642 46.329 1.00 0.84 N ATOM 1434 CA LYS B 46 86.242 -16.267 47.321 1.00 0.99 C ATOM 1435 C LYS B 46 85.688 -16.142 48.750 1.00 1.48 C ATOM 1436 O LYS B 46 86.360 -16.453 49.712 1.00 2.22 O ATOM 1437 CB LYS B 46 87.563 -15.505 47.198 1.00 1.26 C ATOM 1438 CG LYS B 46 88.719 -16.273 47.837 1.00 1.70 C ATOM 1439 CD LYS B 46 89.955 -15.367 47.862 1.00 2.05 C ATOM 1440 CE LYS B 46 91.064 -16.001 48.713 1.00 2.77 C ATOM 1441 NZ LYS B 46 92.387 -15.584 48.173 1.00 3.30 N ATOM 0 H LYS B 46 85.307 -14.623 46.357 1.00 0.84 H new ATOM 0 HA LYS B 46 86.363 -17.333 47.126 1.00 0.99 H new ATOM 0 HB2 LYS B 46 87.783 -15.325 46.146 1.00 1.26 H new ATOM 0 HB3 LYS B 46 87.466 -14.530 47.675 1.00 1.26 H new ATOM 0 HG2 LYS B 46 88.455 -16.580 48.849 1.00 1.70 H new ATOM 0 HG3 LYS B 46 88.928 -17.181 47.272 1.00 1.70 H new ATOM 0 HD2 LYS B 46 90.315 -15.204 46.846 1.00 2.05 H new ATOM 0 HD3 LYS B 46 89.690 -14.390 48.267 1.00 2.05 H new ATOM 0 HE2 LYS B 46 90.966 -15.688 49.753 1.00 2.77 H new ATOM 0 HE3 LYS B 46 90.976 -17.087 48.697 1.00 2.77 H new ATOM 0 HZ1 LYS B 46 93.145 -16.009 48.744 1.00 3.30 H new ATOM 0 HZ2 LYS B 46 92.476 -15.903 47.187 1.00 3.30 H new ATOM 0 HZ3 LYS B 46 92.466 -14.548 48.210 1.00 3.30 H new ATOM 1455 N GLY B 47 84.477 -15.689 48.912 1.00 1.77 N ATOM 1456 CA GLY B 47 83.919 -15.552 50.294 1.00 2.32 C ATOM 1457 C GLY B 47 82.922 -14.395 50.330 1.00 1.97 C ATOM 1458 O GLY B 47 81.771 -14.566 50.678 1.00 2.24 O ATOM 0 H GLY B 47 83.851 -15.409 48.157 1.00 1.77 H new ATOM 0 HA2 GLY B 47 83.428 -16.478 50.593 1.00 2.32 H new ATOM 0 HA3 GLY B 47 84.724 -15.374 51.007 1.00 2.32 H new TER 1462 GLY B 47 HETATM 1463 ZN ZN A 56 79.039 -2.008 35.762 1.00 0.20 ZN HETATM 1464 ZN ZN B 56 90.544 -20.893 39.901 1.00 0.21 ZN CONECT 180 1463 CONECT 252 1463 CONECT 617 1463 CONECT 661 1463 CONECT 911 1464 CONECT 983 1464 CONECT 1348 1464 CONECT 1392 1464 CONECT 1463 180 252 617 661 CONECT 1464 911 983 1348 1392 END