USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 24-SEP-00 1FWQ TITLE SOLUTION STRUCTURE OF HUMAN MSS4, A GUANINE NUCLEOTIDE TITLE 2 EXCHANGE FACTOR FOR RAB PROTEINS COMPND MOL_ID: 1; COMPND 2 MOLECULE: GUANINE NUCLEOTIDE EXCHANGE FACTOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: BRAIN; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS ZINC-BINDING, BETA STRUCTURE, METAL BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR H.YU,S.L.SCHREIBER REVDAT 2 24-FEB-09 1FWQ 1 VERSN REVDAT 1 04-OCT-00 1FWQ 0 JRNL AUTH H.YU,S.L.SCHREIBER JRNL TITL STRUCTURE OF GUANINE-NUCLEOTIDE-EXCHANGE FACTOR JRNL TITL 2 HUMAN MSS4 AND IDENTIFICATION OF ITS JRNL TITL 3 RAB-INTERACTING SURFACE. JRNL REF NATURE V. 376 788 1995 JRNL REFN ISSN 0028-0836 JRNL PMID 7651540 JRNL DOI 10.1038/376788A0 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: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 1,289 NOE-DERIVED DISTANCE CONSTRAINTS AND 117 DIHEDRAL REMARK 3 ANGLE RESTRAINTS. REMARK 4 REMARK 4 1FWQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-SEP-00. REMARK 100 THE RCSB ID CODE IS RCSB011963. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 3MM MSS4, U-15N; 40MM TRIS REMARK 210 (PH 6.5), 100MM KCL, 2MM DTT; REMARK 210 3MM MSS4, U-15N,13C; 40MM TRIS REMARK 210 (PH 6.5), 100MM KCL, 2MM DTT; REMARK 210 3MM MSS4, U-15N,13C; 40MM TRIS REMARK 210 (PH 6.5), 100MM KCL, 2MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_TOCSY, HNCA, REMARK 210 HNCOCA, HNCO, HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 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 : NULL 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 GLU A 2 REMARK 465 PRO A 3 REMARK 465 ALA A 4 REMARK 465 ASP A 5 REMARK 465 GLU A 6 REMARK 465 PRO A 7 REMARK 465 SER A 8 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 12 -170.13 -58.80 REMARK 500 CYS A 23 95.40 -48.91 REMARK 500 VAL A 30 -76.40 -71.44 REMARK 500 ARG A 40 47.62 -85.83 REMARK 500 GLN A 42 98.72 -61.92 REMARK 500 LYS A 50 -95.03 41.75 REMARK 500 LYS A 51 177.24 51.74 REMARK 500 PRO A 52 -81.03 -77.45 REMARK 500 ALA A 53 -38.92 81.93 REMARK 500 LEU A 54 110.99 67.47 REMARK 500 SER A 55 -43.50 83.60 REMARK 500 ASP A 56 -168.16 68.46 REMARK 500 ASN A 59 64.05 -164.64 REMARK 500 GLN A 66 -36.92 -147.92 REMARK 500 ASP A 73 115.00 -160.49 REMARK 500 PHE A 77 -167.28 -53.64 REMARK 500 GLU A 78 -93.38 -132.98 REMARK 500 ASN A 79 44.69 -91.17 REMARK 500 LYS A 84 162.99 -41.21 REMARK 500 VAL A 86 49.21 -89.00 REMARK 500 ASN A 88 15.46 -155.26 REMARK 500 CYS A 97 57.35 -153.84 REMARK 500 GLU A 98 97.83 -37.24 REMARK 500 ILE A 99 -69.10 -150.22 REMARK 500 ALA A 116 112.60 -33.49 REMARK 500 LEU A 117 -74.66 -51.53 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 16 0.27 SIDE_CHAIN REMARK 500 ARG A 18 0.14 SIDE_CHAIN REMARK 500 ARG A 25 0.21 SIDE_CHAIN REMARK 500 ARG A 40 0.31 SIDE_CHAIN REMARK 500 ARG A 41 0.28 SIDE_CHAIN REMARK 500 ARG A 49 0.31 SIDE_CHAIN REMARK 500 ARG A 119 0.27 SIDE_CHAIN 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 124 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 23 SG REMARK 620 2 CYS A 26 SG 109.4 REMARK 620 3 CYS A 94 SG 109.2 109.7 REMARK 620 4 CYS A 97 SG 109.6 109.3 109.6 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 124 DBREF 1FWQ A 1 123 UNP P47224 MSS4_HUMAN 1 123 SEQRES 1 A 123 MET GLU PRO ALA ASP GLU PRO SER GLU LEU VAL SER ALA SEQRES 2 A 123 GLU GLY ARG ASN ARG LYS ALA VAL LEU CYS GLN ARG CYS SEQRES 3 A 123 GLY SER ARG VAL LEU GLN PRO GLY THR ALA LEU PHE SER SEQRES 4 A 123 ARG ARG GLN LEU PHE LEU PRO SER MET ARG LYS LYS PRO SEQRES 5 A 123 ALA LEU SER ASP GLY SER ASN PRO ASP GLY ASP LEU LEU SEQRES 6 A 123 GLN GLU HIS TRP LEU VAL GLU ASP MET PHE ILE PHE GLU SEQRES 7 A 123 ASN VAL GLY PHE THR LYS ASP VAL GLY ASN ILE LYS PHE SEQRES 8 A 123 LEU VAL CYS ALA ASP CYS GLU ILE GLY PRO ILE GLY TRP SEQRES 9 A 123 HIS CYS LEU ASP ASP LYS ASN SER PHE TYR VAL ALA LEU SEQRES 10 A 123 GLU ARG VAL SER HIS GLU HET ZN A 124 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ HELIX 1 1 ASP A 73 PHE A 77 5 5 SHEET 1 A 3 SER A 28 LEU A 31 0 SHEET 2 A 3 ALA A 20 CYS A 23 -1 O VAL A 21 N VAL A 30 SHEET 3 A 3 SER A 121 GLU A 123 -1 N SER A 121 O LEU A 22 SHEET 1 B 2 LEU A 37 PHE A 38 0 SHEET 2 B 2 TRP A 69 LEU A 70 -1 O LEU A 70 N LEU A 37 SHEET 1 C 2 LEU A 43 LEU A 45 0 SHEET 2 C 2 ASP A 63 LEU A 65 -1 O ASP A 63 N LEU A 45 SHEET 1 D 3 ILE A 89 LEU A 92 0 SHEET 2 D 3 GLY A 103 CYS A 106 -1 O GLY A 103 N LEU A 92 SHEET 3 D 3 TYR A 114 VAL A 115 -1 O TYR A 114 N TRP A 104 LINK SG CYS A 23 ZN ZN A 124 1555 1555 2.30 LINK SG CYS A 26 ZN ZN A 124 1555 1555 2.30 LINK SG CYS A 94 ZN ZN A 124 1555 1555 2.30 LINK SG CYS A 97 ZN ZN A 124 1555 1555 2.30 CISPEP 1 GLY A 100 PRO A 101 0 0.53 SITE *** AC1 4 CYS A 23 CYS A 26 CYS A 94 CYS A 97 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -4.4! C(o=-4.4!,f=-13!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.761 K(o=-0.76,f=-6.2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.467 USER MOD Single : A 32 GLN : amide:sc=-0.00499 K(o=-0.005,f=-0.81) USER MOD Single : A 35 THR OG1 : rot 61:sc= -0.444 USER MOD Single : A 39 SER OG : rot -169:sc= -0.833! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -6.31! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -19.8! C(o=-20!,f=-20!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.5!) USER MOD Single : A 83 THR OG1 : rot -80:sc= -3.6! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -4.19! C(o=-4.2!,f=-6.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -8.25! C(o=-8.2!,f=-12!) USER MOD Single : A 106 CYS SG : rot -111:sc= 0.0256 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 112 SER OG : rot -164:sc= -2.61! USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= -0.19 USER MOD Single : A 122 HIS : no HE2:sc= -17.3! C(o=-17!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 -38.272 27.740 -23.831 1.00 2.22 N ATOM 2 CA GLU A 9 -37.386 28.544 -24.719 1.00 1.50 C ATOM 3 C GLU A 9 -36.772 29.694 -23.919 1.00 1.28 C ATOM 4 O GLU A 9 -36.790 30.835 -24.339 1.00 1.98 O ATOM 5 CB GLU A 9 -38.205 29.111 -25.880 1.00 2.26 C ATOM 6 CG GLU A 9 -39.267 28.093 -26.301 1.00 2.77 C ATOM 7 CD GLU A 9 -39.737 28.403 -27.723 1.00 3.61 C ATOM 8 OE1 GLU A 9 -39.238 29.357 -28.296 1.00 4.12 O ATOM 9 OE2 GLU A 9 -40.589 27.681 -28.215 1.00 4.17 O ATOM 0 HA GLU A 9 -36.592 27.909 -25.111 1.00 1.50 H new ATOM 0 HB2 GLU A 9 -38.680 30.046 -25.582 1.00 2.26 H new ATOM 0 HB3 GLU A 9 -37.552 29.340 -26.722 1.00 2.26 H new ATOM 0 HG2 GLU A 9 -38.857 27.084 -26.254 1.00 2.77 H new ATOM 0 HG3 GLU A 9 -40.111 28.127 -25.612 1.00 2.77 H new ATOM 16 N LEU A 10 -36.228 29.405 -22.768 1.00 0.88 N ATOM 17 CA LEU A 10 -35.614 30.482 -21.942 1.00 0.67 C ATOM 18 C LEU A 10 -34.109 30.528 -22.202 1.00 0.68 C ATOM 19 O LEU A 10 -33.475 31.554 -22.054 1.00 0.93 O ATOM 20 CB LEU A 10 -35.859 30.193 -20.460 1.00 0.66 C ATOM 21 CG LEU A 10 -35.356 31.369 -19.622 1.00 0.98 C ATOM 22 CD1 LEU A 10 -36.069 32.650 -20.058 1.00 1.56 C ATOM 23 CD2 LEU A 10 -35.647 31.102 -18.144 1.00 1.29 C ATOM 0 H LEU A 10 -36.183 28.469 -22.364 1.00 0.88 H new ATOM 0 HA LEU A 10 -36.062 31.440 -22.207 1.00 0.67 H new ATOM 0 HB2 LEU A 10 -36.922 30.033 -20.281 1.00 0.66 H new ATOM 0 HB3 LEU A 10 -35.345 29.278 -20.167 1.00 0.66 H new ATOM 0 HG LEU A 10 -34.282 31.485 -19.767 1.00 0.98 H new ATOM 0 HD11 LEU A 10 -35.710 33.488 -19.460 1.00 1.56 H new ATOM 0 HD12 LEU A 10 -35.863 32.841 -21.111 1.00 1.56 H new ATOM 0 HD13 LEU A 10 -37.143 32.536 -19.914 1.00 1.56 H new ATOM 0 HD21 LEU A 10 -35.289 31.940 -17.546 1.00 1.29 H new ATOM 0 HD22 LEU A 10 -36.721 30.986 -18.000 1.00 1.29 H new ATOM 0 HD23 LEU A 10 -35.139 30.190 -17.832 1.00 1.29 H new ATOM 35 N VAL A 11 -33.529 29.423 -22.579 1.00 0.67 N ATOM 36 CA VAL A 11 -32.067 29.402 -22.837 1.00 0.72 C ATOM 37 C VAL A 11 -31.808 29.646 -24.326 1.00 1.14 C ATOM 38 O VAL A 11 -32.161 28.843 -25.167 1.00 1.45 O ATOM 39 CB VAL A 11 -31.508 28.037 -22.438 1.00 0.74 C ATOM 40 CG1 VAL A 11 -30.019 28.170 -22.119 1.00 0.93 C ATOM 41 CG2 VAL A 11 -32.245 27.516 -21.199 1.00 1.17 C ATOM 0 H VAL A 11 -34.007 28.533 -22.719 1.00 0.67 H new ATOM 0 HA VAL A 11 -31.579 30.183 -22.254 1.00 0.72 H new ATOM 0 HB VAL A 11 -31.647 27.338 -23.263 1.00 0.74 H new ATOM 0 HG11 VAL A 11 -29.620 27.197 -21.834 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -29.490 28.536 -22.999 1.00 0.93 H new ATOM 0 HG13 VAL A 11 -29.884 28.872 -21.296 1.00 0.93 H new ATOM 0 HG21 VAL A 11 -31.843 26.543 -20.919 1.00 1.17 H new ATOM 0 HG22 VAL A 11 -32.110 28.216 -20.374 1.00 1.17 H new ATOM 0 HG23 VAL A 11 -33.308 27.419 -21.422 1.00 1.17 H new ATOM 51 N SER A 12 -31.193 30.749 -24.658 1.00 1.40 N ATOM 52 CA SER A 12 -30.913 31.042 -26.092 1.00 1.91 C ATOM 53 C SER A 12 -30.056 29.922 -26.686 1.00 1.77 C ATOM 54 O SER A 12 -29.851 28.894 -26.072 1.00 1.79 O ATOM 55 CB SER A 12 -30.164 32.370 -26.204 1.00 2.36 C ATOM 56 OG SER A 12 -30.791 33.182 -27.189 1.00 2.85 O ATOM 0 H SER A 12 -30.873 31.459 -23.999 1.00 1.40 H new ATOM 0 HA SER A 12 -31.854 31.107 -26.639 1.00 1.91 H new ATOM 0 HB2 SER A 12 -30.162 32.882 -25.242 1.00 2.36 H new ATOM 0 HB3 SER A 12 -29.123 32.192 -26.472 1.00 2.36 H new ATOM 0 HG SER A 12 -30.314 34.035 -27.262 1.00 2.85 H new ATOM 62 N ALA A 13 -29.554 30.114 -27.875 1.00 1.99 N ATOM 63 CA ALA A 13 -28.711 29.060 -28.506 1.00 1.94 C ATOM 64 C ALA A 13 -27.727 28.508 -27.473 1.00 1.53 C ATOM 65 O ALA A 13 -27.652 27.316 -27.249 1.00 1.72 O ATOM 66 CB ALA A 13 -27.934 29.663 -29.679 1.00 2.20 C ATOM 0 H ALA A 13 -29.691 30.955 -28.436 1.00 1.99 H new ATOM 0 HA ALA A 13 -29.348 28.253 -28.868 1.00 1.94 H new ATOM 0 HB1 ALA A 13 -27.317 28.892 -30.141 1.00 2.20 H new ATOM 0 HB2 ALA A 13 -28.635 30.057 -30.415 1.00 2.20 H new ATOM 0 HB3 ALA A 13 -27.296 30.470 -29.317 1.00 2.20 H new ATOM 72 N GLU A 14 -26.972 29.365 -26.842 1.00 1.42 N ATOM 73 CA GLU A 14 -25.994 28.887 -25.824 1.00 1.20 C ATOM 74 C GLU A 14 -26.745 28.432 -24.572 1.00 0.93 C ATOM 75 O GLU A 14 -27.919 28.700 -24.408 1.00 0.90 O ATOM 76 CB GLU A 14 -25.039 30.026 -25.461 1.00 1.41 C ATOM 77 CG GLU A 14 -24.070 30.269 -26.620 1.00 1.97 C ATOM 78 CD GLU A 14 -22.904 31.134 -26.138 1.00 2.61 C ATOM 79 OE1 GLU A 14 -22.883 31.466 -24.964 1.00 3.00 O ATOM 80 OE2 GLU A 14 -22.051 31.450 -26.952 1.00 3.32 O ATOM 0 H GLU A 14 -26.990 30.374 -26.987 1.00 1.42 H new ATOM 0 HA GLU A 14 -25.424 28.051 -26.230 1.00 1.20 H new ATOM 0 HB2 GLU A 14 -25.603 30.934 -25.248 1.00 1.41 H new ATOM 0 HB3 GLU A 14 -24.485 29.776 -24.556 1.00 1.41 H new ATOM 0 HG2 GLU A 14 -23.698 29.318 -27.002 1.00 1.97 H new ATOM 0 HG3 GLU A 14 -24.587 30.763 -27.443 1.00 1.97 H new ATOM 87 N GLY A 15 -26.078 27.743 -23.687 1.00 0.85 N ATOM 88 CA GLY A 15 -26.754 27.270 -22.446 1.00 0.72 C ATOM 89 C GLY A 15 -26.610 28.328 -21.352 1.00 0.52 C ATOM 90 O GLY A 15 -26.065 28.073 -20.297 1.00 0.66 O ATOM 0 H GLY A 15 -25.094 27.487 -23.770 1.00 0.85 H new ATOM 0 HA2 GLY A 15 -27.808 27.078 -22.644 1.00 0.72 H new ATOM 0 HA3 GLY A 15 -26.315 26.328 -22.116 1.00 0.72 H new ATOM 94 N ARG A 16 -27.093 29.516 -21.593 1.00 0.51 N ATOM 95 CA ARG A 16 -26.981 30.587 -20.564 1.00 0.41 C ATOM 96 C ARG A 16 -28.320 31.320 -20.440 1.00 0.36 C ATOM 97 O ARG A 16 -28.970 31.616 -21.423 1.00 0.47 O ATOM 98 CB ARG A 16 -25.895 31.582 -20.980 1.00 0.57 C ATOM 99 CG ARG A 16 -24.777 31.585 -19.935 1.00 1.10 C ATOM 100 CD ARG A 16 -23.730 32.635 -20.311 1.00 1.42 C ATOM 101 NE ARG A 16 -23.192 32.337 -21.668 1.00 2.05 N ATOM 102 CZ ARG A 16 -22.175 33.011 -22.130 1.00 2.53 C ATOM 103 NH1 ARG A 16 -21.039 32.999 -21.489 1.00 3.10 N ATOM 104 NH2 ARG A 16 -22.294 33.699 -23.233 1.00 3.05 N ATOM 0 H ARG A 16 -27.560 29.791 -22.457 1.00 0.51 H new ATOM 0 HA ARG A 16 -26.720 30.141 -19.604 1.00 0.41 H new ATOM 0 HB2 ARG A 16 -25.494 31.311 -21.957 1.00 0.57 H new ATOM 0 HB3 ARG A 16 -26.320 32.581 -21.076 1.00 0.57 H new ATOM 0 HG2 ARG A 16 -25.187 31.802 -18.949 1.00 1.10 H new ATOM 0 HG3 ARG A 16 -24.315 30.599 -19.878 1.00 1.10 H new ATOM 0 HD2 ARG A 16 -24.175 33.630 -20.295 1.00 1.42 H new ATOM 0 HD3 ARG A 16 -22.922 32.636 -19.580 1.00 1.42 H new ATOM 0 HE ARG A 16 -23.619 31.605 -22.236 1.00 2.05 H new ATOM 0 HH11 ARG A 16 -20.946 32.463 -20.626 1.00 3.10 H new ATOM 0 HH12 ARG A 16 -20.244 33.526 -21.850 1.00 3.10 H new ATOM 0 HH21 ARG A 16 -23.182 33.710 -23.734 1.00 3.05 H new ATOM 0 HH22 ARG A 16 -21.499 34.226 -23.594 1.00 3.05 H new ATOM 118 N ASN A 17 -28.738 31.614 -19.239 1.00 0.32 N ATOM 119 CA ASN A 17 -30.034 32.327 -19.053 1.00 0.41 C ATOM 120 C ASN A 17 -30.030 33.622 -19.866 1.00 0.40 C ATOM 121 O ASN A 17 -29.280 34.537 -19.589 1.00 0.53 O ATOM 122 CB ASN A 17 -30.229 32.664 -17.572 1.00 0.52 C ATOM 123 CG ASN A 17 -28.937 33.261 -17.008 1.00 0.60 C ATOM 124 OD1 ASN A 17 -27.925 33.293 -17.679 1.00 1.18 O ATOM 125 ND2 ASN A 17 -28.930 33.738 -15.794 1.00 1.12 N ATOM 0 H ASN A 17 -28.238 31.391 -18.378 1.00 0.32 H new ATOM 0 HA ASN A 17 -30.847 31.684 -19.392 1.00 0.41 H new ATOM 0 HB2 ASN A 17 -31.050 33.371 -17.454 1.00 0.52 H new ATOM 0 HB3 ASN A 17 -30.500 31.766 -17.017 1.00 0.52 H new ATOM 0 HD21 ASN A 17 -28.075 34.138 -15.408 1.00 1.12 H new ATOM 0 HD22 ASN A 17 -29.780 33.711 -15.231 1.00 1.12 H new ATOM 132 N ARG A 18 -30.866 33.712 -20.864 1.00 0.40 N ATOM 133 CA ARG A 18 -30.911 34.954 -21.685 1.00 0.46 C ATOM 134 C ARG A 18 -31.623 36.051 -20.892 1.00 0.41 C ATOM 135 O ARG A 18 -31.429 37.227 -21.125 1.00 0.51 O ATOM 136 CB ARG A 18 -31.675 34.684 -22.983 1.00 0.59 C ATOM 137 CG ARG A 18 -31.986 36.011 -23.678 1.00 1.19 C ATOM 138 CD ARG A 18 -32.098 35.785 -25.187 1.00 1.63 C ATOM 139 NE ARG A 18 -32.950 36.850 -25.787 1.00 2.15 N ATOM 140 CZ ARG A 18 -32.648 37.348 -26.954 1.00 2.62 C ATOM 141 NH1 ARG A 18 -31.976 36.633 -27.815 1.00 3.20 N ATOM 142 NH2 ARG A 18 -33.017 38.562 -27.262 1.00 3.15 N ATOM 0 H ARG A 18 -31.519 32.980 -21.146 1.00 0.40 H new ATOM 0 HA ARG A 18 -29.897 35.272 -21.925 1.00 0.46 H new ATOM 0 HB2 ARG A 18 -31.083 34.047 -23.640 1.00 0.59 H new ATOM 0 HB3 ARG A 18 -32.600 34.148 -22.768 1.00 0.59 H new ATOM 0 HG2 ARG A 18 -32.917 36.426 -23.292 1.00 1.19 H new ATOM 0 HG3 ARG A 18 -31.201 36.737 -23.466 1.00 1.19 H new ATOM 0 HD2 ARG A 18 -31.108 35.798 -25.642 1.00 1.63 H new ATOM 0 HD3 ARG A 18 -32.529 34.804 -25.388 1.00 1.63 H new ATOM 0 HE ARG A 18 -33.770 37.190 -25.285 1.00 2.15 H new ATOM 0 HH11 ARG A 18 -31.687 35.685 -27.575 1.00 3.20 H new ATOM 0 HH12 ARG A 18 -31.740 37.023 -28.728 1.00 3.20 H new ATOM 0 HH21 ARG A 18 -33.542 39.122 -26.590 1.00 3.15 H new ATOM 0 HH22 ARG A 18 -32.780 38.951 -28.175 1.00 3.15 H new ATOM 156 N LYS A 19 -32.446 35.671 -19.953 1.00 0.44 N ATOM 157 CA LYS A 19 -33.171 36.686 -19.139 1.00 0.45 C ATOM 158 C LYS A 19 -32.557 36.745 -17.739 1.00 0.43 C ATOM 159 O LYS A 19 -31.765 35.903 -17.364 1.00 0.53 O ATOM 160 CB LYS A 19 -34.647 36.296 -19.034 1.00 0.51 C ATOM 161 CG LYS A 19 -35.405 36.833 -20.250 1.00 0.91 C ATOM 162 CD LYS A 19 -36.575 35.902 -20.575 1.00 1.12 C ATOM 163 CE LYS A 19 -37.891 36.671 -20.447 1.00 1.21 C ATOM 164 NZ LYS A 19 -38.593 36.677 -21.761 1.00 1.56 N ATOM 0 H LYS A 19 -32.647 34.700 -19.715 1.00 0.44 H new ATOM 0 HA LYS A 19 -33.088 37.663 -19.615 1.00 0.45 H new ATOM 0 HB2 LYS A 19 -34.745 35.212 -18.981 1.00 0.51 H new ATOM 0 HB3 LYS A 19 -35.076 36.700 -18.117 1.00 0.51 H new ATOM 0 HG2 LYS A 19 -35.773 37.839 -20.047 1.00 0.91 H new ATOM 0 HG3 LYS A 19 -34.735 36.905 -21.107 1.00 0.91 H new ATOM 0 HD2 LYS A 19 -36.469 35.507 -21.585 1.00 1.12 H new ATOM 0 HD3 LYS A 19 -36.573 35.048 -19.897 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -38.522 36.209 -19.688 1.00 1.21 H new ATOM 0 HE3 LYS A 19 -37.697 37.693 -20.122 1.00 1.21 H new ATOM 0 HZ1 LYS A 19 -39.488 37.200 -21.674 1.00 1.56 H new ATOM 0 HZ2 LYS A 19 -37.991 37.137 -22.474 1.00 1.56 H new ATOM 0 HZ3 LYS A 19 -38.791 35.699 -22.053 1.00 1.56 H new ATOM 178 N ALA A 20 -32.912 37.732 -16.964 1.00 0.46 N ATOM 179 CA ALA A 20 -32.345 37.841 -15.590 1.00 0.47 C ATOM 180 C ALA A 20 -33.239 37.087 -14.603 1.00 0.42 C ATOM 181 O ALA A 20 -34.441 37.260 -14.583 1.00 0.46 O ATOM 182 CB ALA A 20 -32.269 39.315 -15.187 1.00 0.56 C ATOM 0 H ALA A 20 -33.570 38.468 -17.222 1.00 0.46 H new ATOM 0 HA ALA A 20 -31.345 37.407 -15.575 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -31.854 39.397 -14.182 1.00 0.56 H new ATOM 0 HB2 ALA A 20 -31.629 39.851 -15.888 1.00 0.56 H new ATOM 0 HB3 ALA A 20 -33.269 39.749 -15.203 1.00 0.56 H new ATOM 188 N VAL A 21 -32.659 36.256 -13.779 1.00 0.40 N ATOM 189 CA VAL A 21 -33.474 35.496 -12.789 1.00 0.36 C ATOM 190 C VAL A 21 -33.794 36.405 -11.601 1.00 0.32 C ATOM 191 O VAL A 21 -32.911 36.973 -10.988 1.00 0.37 O ATOM 192 CB VAL A 21 -32.683 34.281 -12.304 1.00 0.40 C ATOM 193 CG1 VAL A 21 -33.582 33.398 -11.437 1.00 0.40 C ATOM 194 CG2 VAL A 21 -32.192 33.478 -13.511 1.00 0.50 C ATOM 0 H VAL A 21 -31.656 36.071 -13.749 1.00 0.40 H new ATOM 0 HA VAL A 21 -34.401 35.161 -13.255 1.00 0.36 H new ATOM 0 HB VAL A 21 -31.828 34.616 -11.717 1.00 0.40 H new ATOM 0 HG11 VAL A 21 -33.017 32.532 -11.092 1.00 0.40 H new ATOM 0 HG12 VAL A 21 -33.933 33.969 -10.577 1.00 0.40 H new ATOM 0 HG13 VAL A 21 -34.438 33.063 -12.023 1.00 0.40 H new ATOM 0 HG21 VAL A 21 -31.628 32.611 -13.166 1.00 0.50 H new ATOM 0 HG22 VAL A 21 -33.047 33.144 -14.098 1.00 0.50 H new ATOM 0 HG23 VAL A 21 -31.551 34.106 -14.129 1.00 0.50 H new ATOM 204 N LEU A 22 -35.048 36.556 -11.272 1.00 0.32 N ATOM 205 CA LEU A 22 -35.416 37.438 -10.128 1.00 0.33 C ATOM 206 C LEU A 22 -36.197 36.638 -9.086 1.00 0.34 C ATOM 207 O LEU A 22 -37.226 36.063 -9.377 1.00 0.62 O ATOM 208 CB LEU A 22 -36.292 38.585 -10.635 1.00 0.40 C ATOM 209 CG LEU A 22 -35.754 39.087 -11.975 1.00 0.44 C ATOM 210 CD1 LEU A 22 -36.640 40.224 -12.486 1.00 0.92 C ATOM 211 CD2 LEU A 22 -34.324 39.599 -11.791 1.00 0.86 C ATOM 0 H LEU A 22 -35.833 36.108 -11.745 1.00 0.32 H new ATOM 0 HA LEU A 22 -34.507 37.835 -9.675 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -37.322 38.247 -10.749 1.00 0.40 H new ATOM 0 HB3 LEU A 22 -36.302 39.397 -9.908 1.00 0.40 H new ATOM 0 HG LEU A 22 -35.758 38.270 -12.697 1.00 0.44 H new ATOM 0 HD11 LEU A 22 -36.257 40.582 -13.441 1.00 0.92 H new ATOM 0 HD12 LEU A 22 -37.659 39.860 -12.617 1.00 0.92 H new ATOM 0 HD13 LEU A 22 -36.636 41.041 -11.764 1.00 0.92 H new ATOM 0 HD21 LEU A 22 -33.940 39.957 -12.746 1.00 0.86 H new ATOM 0 HD22 LEU A 22 -34.320 40.416 -11.069 1.00 0.86 H new ATOM 0 HD23 LEU A 22 -33.692 38.789 -11.426 1.00 0.86 H new ATOM 223 N CYS A 23 -35.729 36.605 -7.870 1.00 0.31 N ATOM 224 CA CYS A 23 -36.465 35.850 -6.822 1.00 0.30 C ATOM 225 C CYS A 23 -37.937 36.250 -6.871 1.00 0.34 C ATOM 226 O CYS A 23 -38.336 37.241 -6.293 1.00 0.38 O ATOM 227 CB CYS A 23 -35.900 36.184 -5.441 1.00 0.33 C ATOM 228 SG CYS A 23 -36.255 34.820 -4.304 1.00 0.42 S ATOM 0 H CYS A 23 -34.874 37.066 -7.559 1.00 0.31 H new ATOM 0 HA CYS A 23 -36.357 34.780 -7.002 1.00 0.30 H new ATOM 0 HB2 CYS A 23 -34.824 36.348 -5.505 1.00 0.33 H new ATOM 0 HB3 CYS A 23 -36.342 37.108 -5.068 1.00 0.33 H new ATOM 233 N GLN A 24 -38.742 35.491 -7.563 1.00 0.42 N ATOM 234 CA GLN A 24 -40.191 35.824 -7.660 1.00 0.51 C ATOM 235 C GLN A 24 -40.815 35.844 -6.262 1.00 0.53 C ATOM 236 O GLN A 24 -41.916 36.321 -6.072 1.00 0.61 O ATOM 237 CB GLN A 24 -40.901 34.776 -8.522 1.00 0.60 C ATOM 238 CG GLN A 24 -40.481 33.374 -8.079 1.00 0.87 C ATOM 239 CD GLN A 24 -41.611 32.732 -7.273 1.00 1.60 C ATOM 240 OE1 GLN A 24 -42.138 33.334 -6.358 1.00 1.99 O ATOM 241 NE2 GLN A 24 -42.008 31.526 -7.574 1.00 2.36 N ATOM 0 H GLN A 24 -38.457 34.651 -8.067 1.00 0.42 H new ATOM 0 HA GLN A 24 -40.302 36.807 -8.117 1.00 0.51 H new ATOM 0 HB2 GLN A 24 -41.981 34.888 -8.431 1.00 0.60 H new ATOM 0 HB3 GLN A 24 -40.652 34.926 -9.573 1.00 0.60 H new ATOM 0 HG2 GLN A 24 -40.248 32.761 -8.950 1.00 0.87 H new ATOM 0 HG3 GLN A 24 -39.575 33.428 -7.475 1.00 0.87 H new ATOM 0 HE21 GLN A 24 -41.566 31.020 -8.342 1.00 2.36 H new ATOM 0 HE22 GLN A 24 -42.760 31.089 -7.042 1.00 2.36 H new ATOM 250 N ARG A 25 -40.122 35.335 -5.279 1.00 0.49 N ATOM 251 CA ARG A 25 -40.684 35.333 -3.898 1.00 0.56 C ATOM 252 C ARG A 25 -40.506 36.720 -3.280 1.00 0.57 C ATOM 253 O ARG A 25 -41.331 37.182 -2.517 1.00 0.72 O ATOM 254 CB ARG A 25 -39.946 34.296 -3.048 1.00 0.57 C ATOM 255 CG ARG A 25 -40.744 32.991 -3.026 1.00 1.04 C ATOM 256 CD ARG A 25 -41.472 32.861 -1.687 1.00 1.32 C ATOM 257 NE ARG A 25 -42.611 31.912 -1.833 1.00 1.64 N ATOM 258 CZ ARG A 25 -43.731 32.135 -1.201 1.00 2.11 C ATOM 259 NH1 ARG A 25 -44.232 33.340 -1.166 1.00 2.68 N ATOM 260 NH2 ARG A 25 -44.351 31.153 -0.605 1.00 2.73 N ATOM 0 H ARG A 25 -39.194 34.922 -5.372 1.00 0.49 H new ATOM 0 HA ARG A 25 -41.744 35.082 -3.934 1.00 0.56 H new ATOM 0 HB2 ARG A 25 -38.951 34.119 -3.455 1.00 0.57 H new ATOM 0 HB3 ARG A 25 -39.813 34.670 -2.033 1.00 0.57 H new ATOM 0 HG2 ARG A 25 -41.463 32.978 -3.846 1.00 1.04 H new ATOM 0 HG3 ARG A 25 -40.077 32.142 -3.173 1.00 1.04 H new ATOM 0 HD2 ARG A 25 -40.784 32.506 -0.920 1.00 1.32 H new ATOM 0 HD3 ARG A 25 -41.836 33.836 -1.362 1.00 1.32 H new ATOM 0 HE ARG A 25 -42.516 31.088 -2.427 1.00 1.64 H new ATOM 0 HH11 ARG A 25 -43.748 34.107 -1.633 1.00 2.68 H new ATOM 0 HH12 ARG A 25 -45.107 33.514 -0.672 1.00 2.68 H new ATOM 0 HH21 ARG A 25 -43.960 30.211 -0.633 1.00 2.73 H new ATOM 0 HH22 ARG A 25 -45.226 31.327 -0.111 1.00 2.73 H new ATOM 274 N CYS A 26 -39.437 37.392 -3.609 1.00 0.50 N ATOM 275 CA CYS A 26 -39.207 38.753 -3.049 1.00 0.55 C ATOM 276 C CYS A 26 -38.796 39.698 -4.179 1.00 0.51 C ATOM 277 O CYS A 26 -38.133 40.693 -3.960 1.00 0.52 O ATOM 278 CB CYS A 26 -38.097 38.695 -1.996 1.00 0.57 C ATOM 279 SG CYS A 26 -36.533 38.240 -2.786 1.00 0.47 S ATOM 0 H CYS A 26 -38.712 37.056 -4.243 1.00 0.50 H new ATOM 0 HA CYS A 26 -40.123 39.117 -2.583 1.00 0.55 H new ATOM 0 HB2 CYS A 26 -37.999 39.662 -1.503 1.00 0.57 H new ATOM 0 HB3 CYS A 26 -38.351 37.968 -1.225 1.00 0.57 H new ATOM 284 N GLY A 27 -39.188 39.392 -5.388 1.00 0.51 N ATOM 285 CA GLY A 27 -38.828 40.263 -6.540 1.00 0.53 C ATOM 286 C GLY A 27 -37.374 40.715 -6.406 1.00 0.47 C ATOM 287 O GLY A 27 -37.025 41.829 -6.741 1.00 0.53 O ATOM 0 H GLY A 27 -39.745 38.571 -5.626 1.00 0.51 H new ATOM 0 HA2 GLY A 27 -38.966 39.721 -7.476 1.00 0.53 H new ATOM 0 HA3 GLY A 27 -39.487 41.130 -6.573 1.00 0.53 H new ATOM 291 N SER A 28 -36.523 39.858 -5.912 1.00 0.41 N ATOM 292 CA SER A 28 -35.090 40.243 -5.751 1.00 0.42 C ATOM 293 C SER A 28 -34.306 39.873 -7.012 1.00 0.44 C ATOM 294 O SER A 28 -34.780 39.145 -7.860 1.00 0.85 O ATOM 295 CB SER A 28 -34.496 39.508 -4.550 1.00 0.43 C ATOM 296 OG SER A 28 -33.082 39.642 -4.569 1.00 1.06 O ATOM 0 H SER A 28 -36.756 38.911 -5.613 1.00 0.41 H new ATOM 0 HA SER A 28 -35.025 41.319 -5.591 1.00 0.42 H new ATOM 0 HB2 SER A 28 -34.899 39.917 -3.623 1.00 0.43 H new ATOM 0 HB3 SER A 28 -34.773 38.454 -4.581 1.00 0.43 H new ATOM 0 HG SER A 28 -32.699 39.173 -3.799 1.00 1.06 H new ATOM 302 N ARG A 29 -33.104 40.367 -7.137 1.00 0.45 N ATOM 303 CA ARG A 29 -32.281 40.039 -8.336 1.00 0.45 C ATOM 304 C ARG A 29 -31.443 38.791 -8.043 1.00 0.44 C ATOM 305 O ARG A 29 -30.392 38.868 -7.439 1.00 0.56 O ATOM 306 CB ARG A 29 -31.354 41.214 -8.657 1.00 0.57 C ATOM 307 CG ARG A 29 -31.799 41.873 -9.964 1.00 1.21 C ATOM 308 CD ARG A 29 -30.971 43.136 -10.207 1.00 1.58 C ATOM 309 NE ARG A 29 -31.566 43.911 -11.332 1.00 1.91 N ATOM 310 CZ ARG A 29 -31.421 45.207 -11.380 1.00 2.37 C ATOM 311 NH1 ARG A 29 -30.551 45.796 -10.606 1.00 2.89 N ATOM 312 NH2 ARG A 29 -32.148 45.915 -12.201 1.00 2.97 N ATOM 0 H ARG A 29 -32.656 40.984 -6.460 1.00 0.45 H new ATOM 0 HA ARG A 29 -32.933 39.851 -9.189 1.00 0.45 H new ATOM 0 HB2 ARG A 29 -31.376 41.941 -7.845 1.00 0.57 H new ATOM 0 HB3 ARG A 29 -30.325 40.866 -8.745 1.00 0.57 H new ATOM 0 HG2 ARG A 29 -31.674 41.178 -10.795 1.00 1.21 H new ATOM 0 HG3 ARG A 29 -32.859 42.124 -9.915 1.00 1.21 H new ATOM 0 HD2 ARG A 29 -30.946 43.746 -9.304 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -29.940 42.869 -10.440 1.00 1.58 H new ATOM 0 HE ARG A 29 -32.087 43.429 -12.065 1.00 1.91 H new ATOM 0 HH11 ARG A 29 -29.984 45.243 -9.963 1.00 2.89 H new ATOM 0 HH12 ARG A 29 -30.438 46.809 -10.644 1.00 2.89 H new ATOM 0 HH21 ARG A 29 -32.829 45.455 -12.805 1.00 2.97 H new ATOM 0 HH22 ARG A 29 -32.035 46.928 -12.239 1.00 2.97 H new ATOM 326 N VAL A 30 -31.900 37.641 -8.459 1.00 0.40 N ATOM 327 CA VAL A 30 -31.127 36.394 -8.194 1.00 0.49 C ATOM 328 C VAL A 30 -29.870 36.368 -9.067 1.00 0.52 C ATOM 329 O VAL A 30 -28.775 36.609 -8.600 1.00 0.67 O ATOM 330 CB VAL A 30 -31.994 35.175 -8.512 1.00 0.56 C ATOM 331 CG1 VAL A 30 -31.238 33.899 -8.134 1.00 0.72 C ATOM 332 CG2 VAL A 30 -33.294 35.251 -7.709 1.00 0.63 C ATOM 0 H VAL A 30 -32.773 37.511 -8.970 1.00 0.40 H new ATOM 0 HA VAL A 30 -30.837 36.369 -7.144 1.00 0.49 H new ATOM 0 HB VAL A 30 -32.224 35.161 -9.577 1.00 0.56 H new ATOM 0 HG11 VAL A 30 -31.855 33.030 -8.360 1.00 0.72 H new ATOM 0 HG12 VAL A 30 -30.310 33.843 -8.704 1.00 0.72 H new ATOM 0 HG13 VAL A 30 -31.009 33.914 -7.068 1.00 0.72 H new ATOM 0 HG21 VAL A 30 -33.913 34.382 -7.935 1.00 0.63 H new ATOM 0 HG22 VAL A 30 -33.063 35.265 -6.644 1.00 0.63 H new ATOM 0 HG23 VAL A 30 -33.834 36.160 -7.975 1.00 0.63 H new ATOM 342 N LEU A 31 -30.016 36.070 -10.330 1.00 0.46 N ATOM 343 CA LEU A 31 -28.825 36.023 -11.224 1.00 0.52 C ATOM 344 C LEU A 31 -29.026 36.977 -12.403 1.00 0.46 C ATOM 345 O LEU A 31 -30.127 37.408 -12.687 1.00 0.50 O ATOM 346 CB LEU A 31 -28.641 34.598 -11.749 1.00 0.61 C ATOM 347 CG LEU A 31 -27.862 33.772 -10.723 1.00 0.82 C ATOM 348 CD1 LEU A 31 -28.093 32.283 -10.985 1.00 1.58 C ATOM 349 CD2 LEU A 31 -26.369 34.085 -10.847 1.00 1.35 C ATOM 0 H LEU A 31 -30.906 35.858 -10.780 1.00 0.46 H new ATOM 0 HA LEU A 31 -27.940 36.325 -10.663 1.00 0.52 H new ATOM 0 HB2 LEU A 31 -29.612 34.141 -11.938 1.00 0.61 H new ATOM 0 HB3 LEU A 31 -28.107 34.615 -12.699 1.00 0.61 H new ATOM 0 HG LEU A 31 -28.205 34.021 -9.719 1.00 0.82 H new ATOM 0 HD11 LEU A 31 -27.538 31.695 -10.254 1.00 1.58 H new ATOM 0 HD12 LEU A 31 -29.156 32.059 -10.899 1.00 1.58 H new ATOM 0 HD13 LEU A 31 -27.749 32.033 -11.989 1.00 1.58 H new ATOM 0 HD21 LEU A 31 -25.812 33.498 -10.117 1.00 1.35 H new ATOM 0 HD22 LEU A 31 -26.027 33.835 -11.851 1.00 1.35 H new ATOM 0 HD23 LEU A 31 -26.203 35.146 -10.661 1.00 1.35 H new ATOM 361 N GLN A 32 -27.969 37.309 -13.093 1.00 0.47 N ATOM 362 CA GLN A 32 -28.094 38.234 -14.254 1.00 0.46 C ATOM 363 C GLN A 32 -28.323 37.420 -15.532 1.00 0.43 C ATOM 364 O GLN A 32 -28.117 36.222 -15.549 1.00 0.45 O ATOM 365 CB GLN A 32 -26.809 39.052 -14.395 1.00 0.52 C ATOM 366 CG GLN A 32 -26.946 40.358 -13.611 1.00 1.03 C ATOM 367 CD GLN A 32 -25.622 41.122 -13.654 1.00 1.50 C ATOM 368 OE1 GLN A 32 -24.563 40.531 -13.564 1.00 2.15 O ATOM 369 NE2 GLN A 32 -25.635 42.419 -13.789 1.00 2.12 N ATOM 0 H GLN A 32 -27.023 36.979 -12.902 1.00 0.47 H new ATOM 0 HA GLN A 32 -28.937 38.906 -14.094 1.00 0.46 H new ATOM 0 HB2 GLN A 32 -25.959 38.480 -14.023 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -26.615 39.265 -15.446 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -27.743 40.967 -14.036 1.00 1.03 H new ATOM 0 HG3 GLN A 32 -27.223 40.147 -12.578 1.00 1.03 H new ATOM 0 HE21 GLN A 32 -26.523 42.915 -13.865 1.00 2.12 H new ATOM 0 HE22 GLN A 32 -24.757 42.937 -13.819 1.00 2.12 H new ATOM 378 N PRO A 33 -28.743 38.101 -16.568 1.00 0.45 N ATOM 379 CA PRO A 33 -29.013 37.473 -17.872 1.00 0.48 C ATOM 380 C PRO A 33 -27.699 37.164 -18.594 1.00 0.44 C ATOM 381 O PRO A 33 -27.182 37.972 -19.340 1.00 0.47 O ATOM 382 CB PRO A 33 -29.823 38.534 -18.623 1.00 0.57 C ATOM 383 CG PRO A 33 -29.498 39.888 -17.949 1.00 0.58 C ATOM 384 CD PRO A 33 -28.978 39.560 -16.537 1.00 0.52 C ATOM 0 HA PRO A 33 -29.544 36.524 -17.793 1.00 0.48 H new ATOM 0 HB2 PRO A 33 -29.555 38.552 -19.679 1.00 0.57 H new ATOM 0 HB3 PRO A 33 -30.890 38.319 -18.568 1.00 0.57 H new ATOM 0 HG2 PRO A 33 -28.749 40.436 -18.521 1.00 0.58 H new ATOM 0 HG3 PRO A 33 -30.385 40.519 -17.899 1.00 0.58 H new ATOM 0 HD2 PRO A 33 -28.062 40.106 -16.313 1.00 0.52 H new ATOM 0 HD3 PRO A 33 -29.706 39.830 -15.772 1.00 0.52 H new ATOM 392 N GLY A 34 -27.157 35.999 -18.374 1.00 0.44 N ATOM 393 CA GLY A 34 -25.876 35.632 -19.040 1.00 0.46 C ATOM 394 C GLY A 34 -24.857 35.198 -17.985 1.00 0.45 C ATOM 395 O GLY A 34 -23.705 34.956 -18.285 1.00 0.49 O ATOM 0 H GLY A 34 -27.547 35.283 -17.760 1.00 0.44 H new ATOM 0 HA2 GLY A 34 -26.043 34.825 -19.753 1.00 0.46 H new ATOM 0 HA3 GLY A 34 -25.491 36.481 -19.605 1.00 0.46 H new ATOM 399 N THR A 35 -25.269 35.099 -16.749 1.00 0.42 N ATOM 400 CA THR A 35 -24.318 34.681 -15.680 1.00 0.44 C ATOM 401 C THR A 35 -24.783 33.358 -15.069 1.00 0.41 C ATOM 402 O THR A 35 -24.623 33.119 -13.888 1.00 0.46 O ATOM 403 CB THR A 35 -24.268 35.757 -14.593 1.00 0.50 C ATOM 404 OG1 THR A 35 -25.583 36.227 -14.335 1.00 0.61 O ATOM 405 CG2 THR A 35 -23.390 36.919 -15.060 1.00 0.67 C ATOM 0 H THR A 35 -26.221 35.289 -16.435 1.00 0.42 H new ATOM 0 HA THR A 35 -23.324 34.551 -16.109 1.00 0.44 H new ATOM 0 HB THR A 35 -23.847 35.333 -13.681 1.00 0.50 H new ATOM 0 HG1 THR A 35 -26.138 35.486 -14.012 1.00 0.61 H new ATOM 0 HG21 THR A 35 -23.356 37.684 -14.284 1.00 0.67 H new ATOM 0 HG22 THR A 35 -22.381 36.556 -15.257 1.00 0.67 H new ATOM 0 HG23 THR A 35 -23.806 37.346 -15.972 1.00 0.67 H new ATOM 413 N ALA A 36 -25.357 32.495 -15.862 1.00 0.37 N ATOM 414 CA ALA A 36 -25.830 31.189 -15.321 1.00 0.39 C ATOM 415 C ALA A 36 -25.966 30.178 -16.461 1.00 0.35 C ATOM 416 O ALA A 36 -26.600 30.437 -17.464 1.00 0.39 O ATOM 417 CB ALA A 36 -27.192 31.375 -14.649 1.00 0.46 C ATOM 0 H ALA A 36 -25.519 32.637 -16.859 1.00 0.37 H new ATOM 0 HA ALA A 36 -25.108 30.822 -14.591 1.00 0.39 H new ATOM 0 HB1 ALA A 36 -27.536 30.419 -14.254 1.00 0.46 H new ATOM 0 HB2 ALA A 36 -27.101 32.093 -13.834 1.00 0.46 H new ATOM 0 HB3 ALA A 36 -27.911 31.746 -15.380 1.00 0.46 H new ATOM 423 N LEU A 37 -25.381 29.024 -16.307 1.00 0.39 N ATOM 424 CA LEU A 37 -25.478 27.986 -17.371 1.00 0.39 C ATOM 425 C LEU A 37 -26.832 27.283 -17.252 1.00 0.41 C ATOM 426 O LEU A 37 -27.502 27.393 -16.250 1.00 0.69 O ATOM 427 CB LEU A 37 -24.354 26.967 -17.177 1.00 0.45 C ATOM 428 CG LEU A 37 -24.160 26.155 -18.456 1.00 0.95 C ATOM 429 CD1 LEU A 37 -22.688 25.773 -18.592 1.00 1.46 C ATOM 430 CD2 LEU A 37 -25.003 24.882 -18.381 1.00 1.84 C ATOM 0 H LEU A 37 -24.838 28.754 -15.487 1.00 0.39 H new ATOM 0 HA LEU A 37 -25.387 28.445 -18.355 1.00 0.39 H new ATOM 0 HB2 LEU A 37 -23.428 27.480 -16.918 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -24.594 26.302 -16.347 1.00 0.45 H new ATOM 0 HG LEU A 37 -24.468 26.750 -19.316 1.00 0.95 H new ATOM 0 HD11 LEU A 37 -22.545 25.193 -19.504 1.00 1.46 H new ATOM 0 HD12 LEU A 37 -22.080 26.677 -18.638 1.00 1.46 H new ATOM 0 HD13 LEU A 37 -22.386 25.176 -17.731 1.00 1.46 H new ATOM 0 HD21 LEU A 37 -24.866 24.301 -19.293 1.00 1.84 H new ATOM 0 HD22 LEU A 37 -24.690 24.288 -17.522 1.00 1.84 H new ATOM 0 HD23 LEU A 37 -26.055 25.148 -18.275 1.00 1.84 H new ATOM 442 N PHE A 38 -27.242 26.565 -18.263 1.00 0.39 N ATOM 443 CA PHE A 38 -28.555 25.854 -18.191 1.00 0.38 C ATOM 444 C PHE A 38 -28.338 24.434 -17.652 1.00 0.37 C ATOM 445 O PHE A 38 -27.283 23.856 -17.815 1.00 0.48 O ATOM 446 CB PHE A 38 -29.174 25.782 -19.587 1.00 0.42 C ATOM 447 CG PHE A 38 -30.620 25.360 -19.476 1.00 0.42 C ATOM 448 CD1 PHE A 38 -31.452 25.945 -18.512 1.00 1.24 C ATOM 449 CD2 PHE A 38 -31.129 24.382 -20.340 1.00 1.32 C ATOM 450 CE1 PHE A 38 -32.791 25.552 -18.414 1.00 1.23 C ATOM 451 CE2 PHE A 38 -32.470 23.990 -20.241 1.00 1.36 C ATOM 452 CZ PHE A 38 -33.300 24.575 -19.278 1.00 0.51 C ATOM 0 H PHE A 38 -26.727 26.439 -19.134 1.00 0.39 H new ATOM 0 HA PHE A 38 -29.226 26.396 -17.525 1.00 0.38 H new ATOM 0 HB2 PHE A 38 -29.104 26.753 -20.078 1.00 0.42 H new ATOM 0 HB3 PHE A 38 -28.623 25.072 -20.204 1.00 0.42 H new ATOM 0 HD1 PHE A 38 -31.060 26.699 -17.845 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -30.488 23.930 -21.082 1.00 1.32 H new ATOM 0 HE1 PHE A 38 -33.433 26.003 -17.671 1.00 1.23 H new ATOM 0 HE2 PHE A 38 -32.863 23.237 -20.907 1.00 1.36 H new ATOM 0 HZ PHE A 38 -34.334 24.273 -19.201 1.00 0.51 H new ATOM 462 N SER A 39 -29.325 23.859 -17.018 1.00 0.30 N ATOM 463 CA SER A 39 -29.154 22.475 -16.485 1.00 0.32 C ATOM 464 C SER A 39 -30.506 21.757 -16.456 1.00 0.34 C ATOM 465 O SER A 39 -31.285 21.919 -15.539 1.00 0.53 O ATOM 466 CB SER A 39 -28.572 22.534 -15.066 1.00 0.32 C ATOM 467 OG SER A 39 -29.334 21.700 -14.202 1.00 0.57 O ATOM 0 H SER A 39 -30.236 24.284 -16.847 1.00 0.30 H new ATOM 0 HA SER A 39 -28.471 21.926 -17.133 1.00 0.32 H new ATOM 0 HB2 SER A 39 -27.531 22.210 -15.075 1.00 0.32 H new ATOM 0 HB3 SER A 39 -28.583 23.561 -14.700 1.00 0.32 H new ATOM 0 HG SER A 39 -29.075 21.869 -13.272 1.00 0.57 H new ATOM 473 N ARG A 40 -30.787 20.955 -17.448 1.00 0.42 N ATOM 474 CA ARG A 40 -32.083 20.220 -17.467 1.00 0.47 C ATOM 475 C ARG A 40 -31.935 18.923 -16.670 1.00 0.44 C ATOM 476 O ARG A 40 -32.317 17.859 -17.114 1.00 0.49 O ATOM 477 CB ARG A 40 -32.465 19.892 -18.912 1.00 0.59 C ATOM 478 CG ARG A 40 -31.420 18.951 -19.513 1.00 1.23 C ATOM 479 CD ARG A 40 -31.642 18.838 -21.022 1.00 1.53 C ATOM 480 NE ARG A 40 -31.463 17.421 -21.446 1.00 2.17 N ATOM 481 CZ ARG A 40 -31.784 17.057 -22.657 1.00 2.69 C ATOM 482 NH1 ARG A 40 -33.037 16.878 -22.974 1.00 3.46 N ATOM 483 NH2 ARG A 40 -30.851 16.871 -23.551 1.00 3.02 N ATOM 0 H ARG A 40 -30.175 20.778 -18.245 1.00 0.42 H new ATOM 0 HA ARG A 40 -32.862 20.838 -17.021 1.00 0.47 H new ATOM 0 HB2 ARG A 40 -33.450 19.426 -18.943 1.00 0.59 H new ATOM 0 HB3 ARG A 40 -32.527 20.808 -19.500 1.00 0.59 H new ATOM 0 HG2 ARG A 40 -30.417 19.327 -19.309 1.00 1.23 H new ATOM 0 HG3 ARG A 40 -31.492 17.967 -19.050 1.00 1.23 H new ATOM 0 HD2 ARG A 40 -32.644 19.182 -21.280 1.00 1.53 H new ATOM 0 HD3 ARG A 40 -30.938 19.479 -21.553 1.00 1.53 H new ATOM 0 HE ARG A 40 -31.089 16.735 -20.790 1.00 2.17 H new ATOM 0 HH11 ARG A 40 -33.766 17.023 -22.275 1.00 3.46 H new ATOM 0 HH12 ARG A 40 -33.288 16.593 -23.921 1.00 3.46 H new ATOM 0 HH21 ARG A 40 -29.872 17.010 -23.303 1.00 3.02 H new ATOM 0 HH22 ARG A 40 -31.101 16.586 -24.498 1.00 3.02 H new ATOM 497 N ARG A 41 -31.374 19.009 -15.496 1.00 0.40 N ATOM 498 CA ARG A 41 -31.187 17.790 -14.659 1.00 0.40 C ATOM 499 C ARG A 41 -32.399 17.597 -13.746 1.00 0.37 C ATOM 500 O ARG A 41 -32.831 18.511 -13.074 1.00 0.36 O ATOM 501 CB ARG A 41 -29.928 17.949 -13.804 1.00 0.40 C ATOM 502 CG ARG A 41 -29.540 16.594 -13.210 1.00 0.65 C ATOM 503 CD ARG A 41 -28.016 16.460 -13.196 1.00 1.12 C ATOM 504 NE ARG A 41 -27.632 15.236 -12.438 1.00 1.52 N ATOM 505 CZ ARG A 41 -26.613 14.521 -12.828 1.00 2.03 C ATOM 506 NH1 ARG A 41 -26.646 13.915 -13.984 1.00 2.43 N ATOM 507 NH2 ARG A 41 -25.561 14.410 -12.063 1.00 2.86 N ATOM 0 H ARG A 41 -31.035 19.875 -15.078 1.00 0.40 H new ATOM 0 HA ARG A 41 -31.083 16.921 -15.308 1.00 0.40 H new ATOM 0 HB2 ARG A 41 -29.111 18.340 -14.410 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -30.106 18.670 -13.006 1.00 0.40 H new ATOM 0 HG2 ARG A 41 -29.933 16.503 -12.197 1.00 0.65 H new ATOM 0 HG3 ARG A 41 -29.981 15.788 -13.797 1.00 0.65 H new ATOM 0 HD2 ARG A 41 -27.636 16.403 -14.216 1.00 1.12 H new ATOM 0 HD3 ARG A 41 -27.567 17.341 -12.737 1.00 1.12 H new ATOM 0 HE ARG A 41 -28.166 14.957 -11.615 1.00 1.52 H new ATOM 0 HH11 ARG A 41 -27.468 14.001 -14.582 1.00 2.43 H new ATOM 0 HH12 ARG A 41 -25.850 13.356 -14.290 1.00 2.43 H new ATOM 0 HH21 ARG A 41 -25.535 14.883 -11.159 1.00 2.86 H new ATOM 0 HH22 ARG A 41 -24.765 13.851 -12.369 1.00 2.86 H new ATOM 521 N GLN A 42 -32.944 16.412 -13.712 1.00 0.40 N ATOM 522 CA GLN A 42 -34.123 16.161 -12.836 1.00 0.38 C ATOM 523 C GLN A 42 -33.729 16.391 -11.375 1.00 0.35 C ATOM 524 O GLN A 42 -33.147 15.535 -10.739 1.00 0.41 O ATOM 525 CB GLN A 42 -34.595 14.716 -13.017 1.00 0.43 C ATOM 526 CG GLN A 42 -36.029 14.709 -13.551 1.00 1.27 C ATOM 527 CD GLN A 42 -36.565 13.276 -13.553 1.00 1.72 C ATOM 528 OE1 GLN A 42 -36.633 12.639 -12.521 1.00 2.31 O ATOM 529 NE2 GLN A 42 -36.952 12.739 -14.677 1.00 2.26 N ATOM 0 H GLN A 42 -32.624 15.608 -14.252 1.00 0.40 H new ATOM 0 HA GLN A 42 -34.930 16.842 -13.107 1.00 0.38 H new ATOM 0 HB2 GLN A 42 -33.936 14.191 -13.708 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -34.547 14.185 -12.066 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -36.662 15.345 -12.932 1.00 1.27 H new ATOM 0 HG3 GLN A 42 -36.055 15.120 -14.560 1.00 1.27 H new ATOM 0 HE21 GLN A 42 -36.895 13.274 -15.544 1.00 2.26 H new ATOM 0 HE22 GLN A 42 -37.312 11.785 -14.689 1.00 2.26 H new ATOM 538 N LEU A 43 -34.038 17.540 -10.838 1.00 0.33 N ATOM 539 CA LEU A 43 -33.675 17.820 -9.419 1.00 0.31 C ATOM 540 C LEU A 43 -34.914 17.706 -8.533 1.00 0.32 C ATOM 541 O LEU A 43 -36.025 17.576 -9.009 1.00 0.37 O ATOM 542 CB LEU A 43 -33.114 19.237 -9.300 1.00 0.31 C ATOM 543 CG LEU A 43 -31.809 19.340 -10.089 1.00 0.32 C ATOM 544 CD1 LEU A 43 -31.220 20.744 -9.928 1.00 0.33 C ATOM 545 CD2 LEU A 43 -30.819 18.309 -9.551 1.00 0.34 C ATOM 0 H LEU A 43 -34.525 18.296 -11.319 1.00 0.33 H new ATOM 0 HA LEU A 43 -32.926 17.096 -9.099 1.00 0.31 H new ATOM 0 HB2 LEU A 43 -33.838 19.958 -9.679 1.00 0.31 H new ATOM 0 HB3 LEU A 43 -32.938 19.482 -8.253 1.00 0.31 H new ATOM 0 HG LEU A 43 -32.003 19.151 -11.145 1.00 0.32 H new ATOM 0 HD11 LEU A 43 -30.290 20.815 -10.491 1.00 0.33 H new ATOM 0 HD12 LEU A 43 -31.929 21.481 -10.304 1.00 0.33 H new ATOM 0 HD13 LEU A 43 -31.021 20.937 -8.874 1.00 0.33 H new ATOM 0 HD21 LEU A 43 -29.885 18.376 -10.109 1.00 0.34 H new ATOM 0 HD22 LEU A 43 -30.627 18.505 -8.496 1.00 0.34 H new ATOM 0 HD23 LEU A 43 -31.238 17.309 -9.664 1.00 0.34 H new ATOM 557 N PHE A 44 -34.727 17.763 -7.244 1.00 0.32 N ATOM 558 CA PHE A 44 -35.884 17.668 -6.316 1.00 0.34 C ATOM 559 C PHE A 44 -35.821 18.826 -5.315 1.00 0.33 C ATOM 560 O PHE A 44 -34.797 19.082 -4.715 1.00 0.37 O ATOM 561 CB PHE A 44 -35.827 16.336 -5.567 1.00 0.37 C ATOM 562 CG PHE A 44 -36.783 16.381 -4.410 1.00 0.38 C ATOM 563 CD1 PHE A 44 -38.150 16.231 -4.643 1.00 1.12 C ATOM 564 CD2 PHE A 44 -36.303 16.583 -3.112 1.00 1.29 C ATOM 565 CE1 PHE A 44 -39.049 16.282 -3.569 1.00 1.12 C ATOM 566 CE2 PHE A 44 -37.196 16.633 -2.038 1.00 1.32 C ATOM 567 CZ PHE A 44 -38.571 16.483 -2.265 1.00 0.46 C ATOM 0 H PHE A 44 -33.818 17.872 -6.793 1.00 0.32 H new ATOM 0 HA PHE A 44 -36.815 17.724 -6.880 1.00 0.34 H new ATOM 0 HB2 PHE A 44 -36.086 15.516 -6.237 1.00 0.37 H new ATOM 0 HB3 PHE A 44 -34.814 16.148 -5.211 1.00 0.37 H new ATOM 0 HD1 PHE A 44 -38.515 16.076 -5.648 1.00 1.12 H new ATOM 0 HD2 PHE A 44 -35.243 16.700 -2.940 1.00 1.29 H new ATOM 0 HE1 PHE A 44 -40.108 16.167 -3.745 1.00 1.12 H new ATOM 0 HE2 PHE A 44 -36.827 16.787 -1.035 1.00 1.32 H new ATOM 0 HZ PHE A 44 -39.263 16.522 -1.436 1.00 0.46 H new ATOM 577 N LEU A 45 -36.906 19.532 -5.136 1.00 0.37 N ATOM 578 CA LEU A 45 -36.901 20.680 -4.182 1.00 0.38 C ATOM 579 C LEU A 45 -38.018 20.505 -3.142 1.00 0.39 C ATOM 580 O LEU A 45 -39.160 20.821 -3.408 1.00 0.43 O ATOM 581 CB LEU A 45 -37.142 21.977 -4.961 1.00 0.46 C ATOM 582 CG LEU A 45 -35.804 22.626 -5.322 1.00 0.52 C ATOM 583 CD1 LEU A 45 -34.844 21.566 -5.858 1.00 1.43 C ATOM 584 CD2 LEU A 45 -36.032 23.688 -6.398 1.00 1.25 C ATOM 0 H LEU A 45 -37.794 19.364 -5.608 1.00 0.37 H new ATOM 0 HA LEU A 45 -35.939 20.719 -3.672 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -37.710 21.767 -5.867 1.00 0.46 H new ATOM 0 HB3 LEU A 45 -37.740 22.665 -4.363 1.00 0.46 H new ATOM 0 HG LEU A 45 -35.375 23.086 -4.432 1.00 0.52 H new ATOM 0 HD11 LEU A 45 -33.893 22.033 -6.114 1.00 1.43 H new ATOM 0 HD12 LEU A 45 -34.681 20.804 -5.096 1.00 1.43 H new ATOM 0 HD13 LEU A 45 -35.272 21.104 -6.748 1.00 1.43 H new ATOM 0 HD21 LEU A 45 -35.081 24.153 -6.658 1.00 1.25 H new ATOM 0 HD22 LEU A 45 -36.462 23.222 -7.284 1.00 1.25 H new ATOM 0 HD23 LEU A 45 -36.716 24.448 -6.020 1.00 1.25 H new ATOM 596 N PRO A 46 -37.652 20.017 -1.984 1.00 0.41 N ATOM 597 CA PRO A 46 -38.603 19.797 -0.877 1.00 0.49 C ATOM 598 C PRO A 46 -38.944 21.127 -0.200 1.00 0.50 C ATOM 599 O PRO A 46 -38.093 21.775 0.374 1.00 0.49 O ATOM 600 CB PRO A 46 -37.838 18.875 0.076 1.00 0.57 C ATOM 601 CG PRO A 46 -36.337 19.073 -0.239 1.00 0.55 C ATOM 602 CD PRO A 46 -36.261 19.642 -1.668 1.00 0.45 C ATOM 0 HA PRO A 46 -39.552 19.369 -1.201 1.00 0.49 H new ATOM 0 HB2 PRO A 46 -38.053 19.125 1.115 1.00 0.57 H new ATOM 0 HB3 PRO A 46 -38.132 17.835 -0.069 1.00 0.57 H new ATOM 0 HG2 PRO A 46 -35.878 19.756 0.475 1.00 0.55 H new ATOM 0 HG3 PRO A 46 -35.798 18.128 -0.169 1.00 0.55 H new ATOM 0 HD2 PRO A 46 -35.595 20.504 -1.718 1.00 0.45 H new ATOM 0 HD3 PRO A 46 -35.879 18.902 -2.371 1.00 0.45 H new ATOM 610 N SER A 47 -40.183 21.537 -0.271 1.00 0.64 N ATOM 611 CA SER A 47 -40.586 22.828 0.361 1.00 0.69 C ATOM 612 C SER A 47 -39.896 22.978 1.718 1.00 0.74 C ATOM 613 O SER A 47 -40.134 22.216 2.634 1.00 1.03 O ATOM 614 CB SER A 47 -42.102 22.846 0.559 1.00 0.93 C ATOM 615 OG SER A 47 -42.712 23.506 -0.542 1.00 1.58 O ATOM 0 H SER A 47 -40.935 21.032 -0.740 1.00 0.64 H new ATOM 0 HA SER A 47 -40.290 23.653 -0.287 1.00 0.69 H new ATOM 0 HB2 SER A 47 -42.481 21.828 0.643 1.00 0.93 H new ATOM 0 HB3 SER A 47 -42.353 23.357 1.488 1.00 0.93 H new ATOM 0 HG SER A 47 -43.684 23.518 -0.419 1.00 1.58 H new ATOM 621 N MET A 48 -39.044 23.957 1.856 1.00 0.72 N ATOM 622 CA MET A 48 -38.344 24.154 3.155 1.00 0.87 C ATOM 623 C MET A 48 -39.345 24.651 4.199 1.00 0.88 C ATOM 624 O MET A 48 -39.131 24.521 5.388 1.00 1.61 O ATOM 625 CB MET A 48 -37.228 25.186 2.984 1.00 1.18 C ATOM 626 CG MET A 48 -36.035 24.795 3.857 1.00 1.93 C ATOM 627 SD MET A 48 -35.953 25.893 5.294 1.00 2.60 S ATOM 628 CE MET A 48 -35.809 24.605 6.558 1.00 3.43 C ATOM 0 H MET A 48 -38.803 24.628 1.126 1.00 0.72 H new ATOM 0 HA MET A 48 -37.913 23.208 3.484 1.00 0.87 H new ATOM 0 HB2 MET A 48 -36.925 25.240 1.938 1.00 1.18 H new ATOM 0 HB3 MET A 48 -37.588 26.176 3.263 1.00 1.18 H new ATOM 0 HG2 MET A 48 -36.133 23.759 4.182 1.00 1.93 H new ATOM 0 HG3 MET A 48 -35.112 24.862 3.281 1.00 1.93 H new ATOM 0 HE1 MET A 48 -35.744 25.067 7.543 1.00 3.43 H new ATOM 0 HE2 MET A 48 -36.685 23.957 6.519 1.00 3.43 H new ATOM 0 HE3 MET A 48 -34.912 24.014 6.374 1.00 3.43 H new ATOM 638 N ARG A 49 -40.438 25.218 3.764 1.00 1.29 N ATOM 639 CA ARG A 49 -41.453 25.721 4.733 1.00 1.60 C ATOM 640 C ARG A 49 -41.652 24.687 5.842 1.00 2.45 C ATOM 641 O ARG A 49 -41.643 25.010 7.013 1.00 3.15 O ATOM 642 CB ARG A 49 -42.781 25.953 4.008 1.00 2.03 C ATOM 643 CG ARG A 49 -43.610 26.983 4.778 1.00 2.59 C ATOM 644 CD ARG A 49 -44.250 26.317 5.997 1.00 3.45 C ATOM 645 NE ARG A 49 -45.682 26.721 6.093 1.00 4.19 N ATOM 646 CZ ARG A 49 -46.263 26.793 7.260 1.00 4.98 C ATOM 647 NH1 ARG A 49 -46.649 25.703 7.865 1.00 5.62 N ATOM 648 NH2 ARG A 49 -46.457 27.954 7.822 1.00 5.50 N ATOM 0 H ARG A 49 -40.671 25.354 2.780 1.00 1.29 H new ATOM 0 HA ARG A 49 -41.108 26.660 5.167 1.00 1.60 H new ATOM 0 HB2 ARG A 49 -42.597 26.304 2.993 1.00 2.03 H new ATOM 0 HB3 ARG A 49 -43.331 25.016 3.926 1.00 2.03 H new ATOM 0 HG2 ARG A 49 -42.977 27.812 5.094 1.00 2.59 H new ATOM 0 HG3 ARG A 49 -44.382 27.400 4.132 1.00 2.59 H new ATOM 0 HD2 ARG A 49 -44.172 25.233 5.914 1.00 3.45 H new ATOM 0 HD3 ARG A 49 -43.718 26.607 6.903 1.00 3.45 H new ATOM 0 HE ARG A 49 -46.208 26.941 5.247 1.00 4.19 H new ATOM 0 HH11 ARG A 49 -46.497 24.795 7.426 1.00 5.62 H new ATOM 0 HH12 ARG A 49 -47.103 25.759 8.777 1.00 5.62 H new ATOM 0 HH21 ARG A 49 -46.155 28.806 7.350 1.00 5.50 H new ATOM 0 HH22 ARG A 49 -46.911 28.010 8.734 1.00 5.50 H new ATOM 662 N LYS A 50 -41.828 23.445 5.479 1.00 3.04 N ATOM 663 CA LYS A 50 -42.025 22.382 6.506 1.00 4.20 C ATOM 664 C LYS A 50 -42.957 22.896 7.607 1.00 4.58 C ATOM 665 O LYS A 50 -44.165 22.833 7.487 1.00 4.72 O ATOM 666 CB LYS A 50 -40.671 21.995 7.108 1.00 5.01 C ATOM 667 CG LYS A 50 -40.883 20.971 8.224 1.00 5.71 C ATOM 668 CD LYS A 50 -39.858 21.203 9.335 1.00 6.61 C ATOM 669 CE LYS A 50 -38.446 21.088 8.760 1.00 7.39 C ATOM 670 NZ LYS A 50 -37.496 20.719 9.848 1.00 8.06 N ATOM 0 H LYS A 50 -41.844 23.120 4.512 1.00 3.04 H new ATOM 0 HA LYS A 50 -42.474 21.505 6.040 1.00 4.20 H new ATOM 0 HB2 LYS A 50 -40.024 21.579 6.336 1.00 5.01 H new ATOM 0 HB3 LYS A 50 -40.170 22.879 7.502 1.00 5.01 H new ATOM 0 HG2 LYS A 50 -41.893 21.058 8.624 1.00 5.71 H new ATOM 0 HG3 LYS A 50 -40.783 19.960 7.828 1.00 5.71 H new ATOM 0 HD2 LYS A 50 -40.003 22.189 9.777 1.00 6.61 H new ATOM 0 HD3 LYS A 50 -39.998 20.472 10.132 1.00 6.61 H new ATOM 0 HE2 LYS A 50 -38.423 20.336 7.972 1.00 7.39 H new ATOM 0 HE3 LYS A 50 -38.148 22.034 8.307 1.00 7.39 H new ATOM 0 HZ1 LYS A 50 -36.535 20.640 9.458 1.00 8.06 H new ATOM 0 HZ2 LYS A 50 -37.511 21.452 10.586 1.00 8.06 H new ATOM 0 HZ3 LYS A 50 -37.778 19.807 10.260 1.00 8.06 H new ATOM 684 N LYS A 51 -42.412 23.408 8.678 1.00 5.18 N ATOM 685 CA LYS A 51 -43.277 23.926 9.775 1.00 5.88 C ATOM 686 C LYS A 51 -44.297 22.851 10.169 1.00 6.37 C ATOM 687 O LYS A 51 -44.340 21.794 9.573 1.00 6.60 O ATOM 688 CB LYS A 51 -44.012 25.177 9.290 1.00 6.31 C ATOM 689 CG LYS A 51 -43.576 26.383 10.124 1.00 6.74 C ATOM 690 CD LYS A 51 -44.755 27.344 10.287 1.00 7.39 C ATOM 691 CE LYS A 51 -44.675 28.019 11.658 1.00 8.03 C ATOM 692 NZ LYS A 51 -46.033 28.477 12.067 1.00 8.49 N ATOM 0 H LYS A 51 -41.408 23.489 8.840 1.00 5.18 H new ATOM 0 HA LYS A 51 -42.663 24.177 10.640 1.00 5.88 H new ATOM 0 HB2 LYS A 51 -43.795 25.353 8.236 1.00 6.31 H new ATOM 0 HB3 LYS A 51 -45.089 25.034 9.374 1.00 6.31 H new ATOM 0 HG2 LYS A 51 -43.223 26.054 11.102 1.00 6.74 H new ATOM 0 HG3 LYS A 51 -42.743 26.892 9.639 1.00 6.74 H new ATOM 0 HD2 LYS A 51 -44.737 28.096 9.498 1.00 7.39 H new ATOM 0 HD3 LYS A 51 -45.696 26.802 10.190 1.00 7.39 H new ATOM 0 HE2 LYS A 51 -44.277 27.322 12.396 1.00 8.03 H new ATOM 0 HE3 LYS A 51 -43.990 28.866 11.619 1.00 8.03 H new ATOM 0 HZ1 LYS A 51 -45.979 28.936 12.999 1.00 8.49 H new ATOM 0 HZ2 LYS A 51 -46.396 29.156 11.368 1.00 8.49 H new ATOM 0 HZ3 LYS A 51 -46.674 27.659 12.121 1.00 8.49 H new ATOM 706 N PRO A 52 -45.089 23.156 11.167 1.00 6.85 N ATOM 707 CA PRO A 52 -46.123 22.232 11.668 1.00 7.63 C ATOM 708 C PRO A 52 -47.338 22.234 10.733 1.00 8.15 C ATOM 709 O PRO A 52 -47.486 21.363 9.899 1.00 8.55 O ATOM 710 CB PRO A 52 -46.480 22.806 13.043 1.00 8.21 C ATOM 711 CG PRO A 52 -46.065 24.296 13.016 1.00 7.96 C ATOM 712 CD PRO A 52 -45.029 24.446 11.885 1.00 7.02 C ATOM 0 HA PRO A 52 -45.788 21.196 11.722 1.00 7.63 H new ATOM 0 HB2 PRO A 52 -47.547 22.704 13.241 1.00 8.21 H new ATOM 0 HB3 PRO A 52 -45.956 22.271 13.835 1.00 8.21 H new ATOM 0 HG2 PRO A 52 -46.929 24.935 12.837 1.00 7.96 H new ATOM 0 HG3 PRO A 52 -45.639 24.597 13.973 1.00 7.96 H new ATOM 0 HD2 PRO A 52 -45.275 25.280 11.227 1.00 7.02 H new ATOM 0 HD3 PRO A 52 -44.031 24.636 12.281 1.00 7.02 H new ATOM 720 N ALA A 53 -48.202 23.207 10.865 1.00 8.38 N ATOM 721 CA ALA A 53 -49.407 23.281 9.983 1.00 9.07 C ATOM 722 C ALA A 53 -50.515 22.360 10.510 1.00 9.10 C ATOM 723 O ALA A 53 -51.681 22.700 10.468 1.00 9.00 O ATOM 724 CB ALA A 53 -49.031 22.866 8.558 1.00 9.60 C ATOM 0 H ALA A 53 -48.125 23.959 11.550 1.00 8.38 H new ATOM 0 HA ALA A 53 -49.774 24.307 9.980 1.00 9.07 H new ATOM 0 HB1 ALA A 53 -49.912 22.921 7.919 1.00 9.60 H new ATOM 0 HB2 ALA A 53 -48.262 23.536 8.175 1.00 9.60 H new ATOM 0 HB3 ALA A 53 -48.651 21.844 8.565 1.00 9.60 H new ATOM 730 N LEU A 54 -50.171 21.198 11.000 1.00 9.47 N ATOM 731 CA LEU A 54 -51.218 20.270 11.518 1.00 9.73 C ATOM 732 C LEU A 54 -52.079 19.781 10.350 1.00 9.76 C ATOM 733 O LEU A 54 -52.819 20.540 9.759 1.00 9.88 O ATOM 734 CB LEU A 54 -52.094 21.009 12.539 1.00 10.15 C ATOM 735 CG LEU A 54 -53.008 20.023 13.280 1.00 10.58 C ATOM 736 CD1 LEU A 54 -54.210 19.677 12.401 1.00 11.21 C ATOM 737 CD2 LEU A 54 -52.240 18.741 13.615 1.00 10.85 C ATOM 0 H LEU A 54 -49.213 20.853 11.064 1.00 9.47 H new ATOM 0 HA LEU A 54 -50.748 19.415 12.003 1.00 9.73 H new ATOM 0 HB2 LEU A 54 -51.463 21.536 13.254 1.00 10.15 H new ATOM 0 HB3 LEU A 54 -52.697 21.762 12.032 1.00 10.15 H new ATOM 0 HG LEU A 54 -53.350 20.487 14.205 1.00 10.58 H new ATOM 0 HD11 LEU A 54 -54.857 18.977 12.929 1.00 11.21 H new ATOM 0 HD12 LEU A 54 -54.767 20.585 12.173 1.00 11.21 H new ATOM 0 HD13 LEU A 54 -53.863 19.222 11.473 1.00 11.21 H new ATOM 0 HD21 LEU A 54 -52.898 18.049 14.140 1.00 10.85 H new ATOM 0 HD22 LEU A 54 -51.887 18.277 12.694 1.00 10.85 H new ATOM 0 HD23 LEU A 54 -51.387 18.983 14.249 1.00 10.85 H new ATOM 749 N SER A 55 -51.971 18.521 10.012 1.00 9.87 N ATOM 750 CA SER A 55 -52.763 17.957 8.874 1.00 10.10 C ATOM 751 C SER A 55 -52.039 18.242 7.557 1.00 9.86 C ATOM 752 O SER A 55 -51.936 17.388 6.698 1.00 10.05 O ATOM 753 CB SER A 55 -54.162 18.578 8.830 1.00 10.69 C ATOM 754 OG SER A 55 -54.711 18.597 10.139 1.00 11.16 O ATOM 0 H SER A 55 -51.361 17.851 10.481 1.00 9.87 H new ATOM 0 HA SER A 55 -52.862 16.881 9.018 1.00 10.10 H new ATOM 0 HB2 SER A 55 -54.110 19.591 8.431 1.00 10.69 H new ATOM 0 HB3 SER A 55 -54.805 18.005 8.162 1.00 10.69 H new ATOM 0 HG SER A 55 -55.606 18.996 10.113 1.00 11.16 H new ATOM 760 N ASP A 56 -51.534 19.434 7.388 1.00 9.68 N ATOM 761 CA ASP A 56 -50.816 19.768 6.125 1.00 9.66 C ATOM 762 C ASP A 56 -51.812 19.804 4.965 1.00 9.18 C ATOM 763 O ASP A 56 -53.010 19.791 5.163 1.00 9.27 O ATOM 764 CB ASP A 56 -49.749 18.707 5.849 1.00 9.94 C ATOM 765 CG ASP A 56 -48.923 18.469 7.114 1.00 10.42 C ATOM 766 OD1 ASP A 56 -49.521 18.277 8.161 1.00 10.63 O ATOM 767 OD2 ASP A 56 -47.707 18.482 7.016 1.00 10.78 O ATOM 0 H ASP A 56 -51.588 20.191 8.070 1.00 9.68 H new ATOM 0 HA ASP A 56 -50.341 20.744 6.225 1.00 9.66 H new ATOM 0 HB2 ASP A 56 -50.220 17.777 5.530 1.00 9.94 H new ATOM 0 HB3 ASP A 56 -49.101 19.032 5.035 1.00 9.94 H new ATOM 772 N GLY A 57 -51.324 19.847 3.756 1.00 8.87 N ATOM 773 CA GLY A 57 -52.241 19.882 2.583 1.00 8.57 C ATOM 774 C GLY A 57 -52.075 18.598 1.766 1.00 8.04 C ATOM 775 O GLY A 57 -52.333 18.569 0.579 1.00 8.27 O ATOM 0 H GLY A 57 -50.329 19.859 3.530 1.00 8.87 H new ATOM 0 HA2 GLY A 57 -53.273 19.981 2.918 1.00 8.57 H new ATOM 0 HA3 GLY A 57 -52.022 20.751 1.963 1.00 8.57 H new ATOM 779 N SER A 58 -51.645 17.537 2.393 1.00 7.60 N ATOM 780 CA SER A 58 -51.462 16.256 1.652 1.00 7.34 C ATOM 781 C SER A 58 -50.498 16.477 0.485 1.00 6.47 C ATOM 782 O SER A 58 -50.811 16.189 -0.653 1.00 6.40 O ATOM 783 CB SER A 58 -52.811 15.778 1.115 1.00 7.89 C ATOM 784 OG SER A 58 -52.795 14.361 0.997 1.00 8.19 O ATOM 0 H SER A 58 -51.413 17.502 3.386 1.00 7.60 H new ATOM 0 HA SER A 58 -51.053 15.503 2.325 1.00 7.34 H new ATOM 0 HB2 SER A 58 -53.613 16.090 1.784 1.00 7.89 H new ATOM 0 HB3 SER A 58 -53.011 16.233 0.145 1.00 7.89 H new ATOM 0 HG SER A 58 -53.659 14.051 0.654 1.00 8.19 H new ATOM 790 N ASN A 59 -49.328 16.989 0.757 1.00 6.05 N ATOM 791 CA ASN A 59 -48.347 17.229 -0.340 1.00 5.33 C ATOM 792 C ASN A 59 -46.955 17.461 0.258 1.00 4.17 C ATOM 793 O ASN A 59 -46.397 18.532 0.125 1.00 3.89 O ATOM 794 CB ASN A 59 -48.772 18.464 -1.138 1.00 5.71 C ATOM 795 CG ASN A 59 -48.288 18.333 -2.583 1.00 6.45 C ATOM 796 OD1 ASN A 59 -47.131 17.778 -2.823 1.00 6.80 O flip ATOM 797 ND2 ASN A 59 -48.968 18.740 -3.504 1.00 7.04 N flip ATOM 0 H ASN A 59 -49.009 17.251 1.690 1.00 6.05 H new ATOM 0 HA ASN A 59 -48.317 16.361 -0.998 1.00 5.33 H new ATOM 0 HB2 ASN A 59 -49.857 18.568 -1.115 1.00 5.71 H new ATOM 0 HB3 ASN A 59 -48.356 19.363 -0.685 1.00 5.71 H new ATOM 0 HD21 ASN A 59 -49.872 19.174 -3.318 1.00 7.04 H new ATOM 0 HD22 ASN A 59 -48.635 18.648 -4.464 1.00 7.04 H new ATOM 804 N PRO A 60 -46.439 16.445 0.901 1.00 3.94 N ATOM 805 CA PRO A 60 -45.111 16.497 1.537 1.00 3.23 C ATOM 806 C PRO A 60 -44.010 16.302 0.491 1.00 2.16 C ATOM 807 O PRO A 60 -42.836 16.429 0.779 1.00 2.42 O ATOM 808 CB PRO A 60 -45.140 15.323 2.519 1.00 4.12 C ATOM 809 CG PRO A 60 -46.219 14.343 1.997 1.00 4.92 C ATOM 810 CD PRO A 60 -47.133 15.151 1.056 1.00 4.91 C ATOM 0 HA PRO A 60 -44.905 17.451 2.023 1.00 3.23 H new ATOM 0 HB2 PRO A 60 -44.166 14.836 2.571 1.00 4.12 H new ATOM 0 HB3 PRO A 60 -45.380 15.665 3.526 1.00 4.12 H new ATOM 0 HG2 PRO A 60 -45.760 13.508 1.468 1.00 4.92 H new ATOM 0 HG3 PRO A 60 -46.791 13.921 2.823 1.00 4.92 H new ATOM 0 HD2 PRO A 60 -47.260 14.650 0.097 1.00 4.91 H new ATOM 0 HD3 PRO A 60 -48.128 15.281 1.482 1.00 4.91 H new ATOM 818 N ASP A 61 -44.380 15.989 -0.720 1.00 1.60 N ATOM 819 CA ASP A 61 -43.356 15.780 -1.782 1.00 1.33 C ATOM 820 C ASP A 61 -42.922 17.132 -2.352 1.00 0.99 C ATOM 821 O ASP A 61 -43.737 17.942 -2.746 1.00 1.10 O ATOM 822 CB ASP A 61 -43.953 14.924 -2.900 1.00 2.26 C ATOM 823 CG ASP A 61 -44.609 13.681 -2.296 1.00 3.07 C ATOM 824 OD1 ASP A 61 -43.904 12.709 -2.079 1.00 3.61 O ATOM 825 OD2 ASP A 61 -45.806 13.722 -2.061 1.00 3.68 O ATOM 0 H ASP A 61 -45.347 15.869 -1.020 1.00 1.60 H new ATOM 0 HA ASP A 61 -42.490 15.274 -1.356 1.00 1.33 H new ATOM 0 HB2 ASP A 61 -44.689 15.501 -3.460 1.00 2.26 H new ATOM 0 HB3 ASP A 61 -43.174 14.631 -3.604 1.00 2.26 H new ATOM 830 N GLY A 62 -41.642 17.379 -2.403 1.00 0.75 N ATOM 831 CA GLY A 62 -41.154 18.675 -2.953 1.00 0.57 C ATOM 832 C GLY A 62 -41.542 18.775 -4.426 1.00 0.54 C ATOM 833 O GLY A 62 -42.634 18.409 -4.815 1.00 0.66 O ATOM 0 H GLY A 62 -40.913 16.739 -2.088 1.00 0.75 H new ATOM 0 HA2 GLY A 62 -41.585 19.506 -2.394 1.00 0.57 H new ATOM 0 HA3 GLY A 62 -40.072 18.745 -2.844 1.00 0.57 H new ATOM 837 N ASP A 63 -40.657 19.257 -5.254 1.00 0.51 N ATOM 838 CA ASP A 63 -40.983 19.365 -6.700 1.00 0.53 C ATOM 839 C ASP A 63 -39.859 18.731 -7.513 1.00 0.46 C ATOM 840 O ASP A 63 -38.734 19.189 -7.502 1.00 0.42 O ATOM 841 CB ASP A 63 -41.126 20.833 -7.096 1.00 0.61 C ATOM 842 CG ASP A 63 -42.335 21.442 -6.384 1.00 0.80 C ATOM 843 OD1 ASP A 63 -42.224 21.718 -5.200 1.00 1.29 O ATOM 844 OD2 ASP A 63 -43.352 21.623 -7.033 1.00 1.50 O ATOM 0 H ASP A 63 -39.726 19.579 -4.991 1.00 0.51 H new ATOM 0 HA ASP A 63 -41.923 18.850 -6.897 1.00 0.53 H new ATOM 0 HB2 ASP A 63 -40.222 21.381 -6.832 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -41.246 20.919 -8.176 1.00 0.61 H new ATOM 849 N LEU A 64 -40.156 17.683 -8.224 1.00 0.48 N ATOM 850 CA LEU A 64 -39.106 17.023 -9.044 1.00 0.44 C ATOM 851 C LEU A 64 -38.945 17.808 -10.348 1.00 0.43 C ATOM 852 O LEU A 64 -39.538 17.482 -11.357 1.00 0.52 O ATOM 853 CB LEU A 64 -39.530 15.585 -9.356 1.00 0.50 C ATOM 854 CG LEU A 64 -39.199 14.668 -8.176 1.00 0.56 C ATOM 855 CD1 LEU A 64 -37.735 14.851 -7.771 1.00 1.55 C ATOM 856 CD2 LEU A 64 -40.104 15.013 -6.992 1.00 1.30 C ATOM 0 H LEU A 64 -41.080 17.254 -8.273 1.00 0.48 H new ATOM 0 HA LEU A 64 -38.161 17.004 -8.501 1.00 0.44 H new ATOM 0 HB2 LEU A 64 -40.599 15.551 -9.564 1.00 0.50 H new ATOM 0 HB3 LEU A 64 -39.020 15.234 -10.253 1.00 0.50 H new ATOM 0 HG LEU A 64 -39.363 13.631 -8.470 1.00 0.56 H new ATOM 0 HD11 LEU A 64 -37.505 14.196 -6.931 1.00 1.55 H new ATOM 0 HD12 LEU A 64 -37.090 14.600 -8.613 1.00 1.55 H new ATOM 0 HD13 LEU A 64 -37.565 15.888 -7.480 1.00 1.55 H new ATOM 0 HD21 LEU A 64 -39.868 14.360 -6.152 1.00 1.30 H new ATOM 0 HD22 LEU A 64 -39.943 16.051 -6.701 1.00 1.30 H new ATOM 0 HD23 LEU A 64 -41.147 14.874 -7.278 1.00 1.30 H new ATOM 868 N LEU A 65 -38.163 18.854 -10.330 1.00 0.42 N ATOM 869 CA LEU A 65 -37.983 19.675 -11.563 1.00 0.45 C ATOM 870 C LEU A 65 -36.887 19.072 -12.444 1.00 0.41 C ATOM 871 O LEU A 65 -36.417 17.979 -12.207 1.00 0.47 O ATOM 872 CB LEU A 65 -37.592 21.100 -11.169 1.00 0.50 C ATOM 873 CG LEU A 65 -38.705 21.721 -10.324 1.00 0.66 C ATOM 874 CD1 LEU A 65 -38.107 22.313 -9.046 1.00 1.04 C ATOM 875 CD2 LEU A 65 -39.393 22.830 -11.125 1.00 1.21 C ATOM 0 H LEU A 65 -37.641 19.176 -9.515 1.00 0.42 H new ATOM 0 HA LEU A 65 -38.919 19.689 -12.122 1.00 0.45 H new ATOM 0 HB2 LEU A 65 -36.658 21.090 -10.608 1.00 0.50 H new ATOM 0 HB3 LEU A 65 -37.421 21.701 -12.062 1.00 0.50 H new ATOM 0 HG LEU A 65 -39.434 20.954 -10.062 1.00 0.66 H new ATOM 0 HD11 LEU A 65 -38.901 22.756 -8.444 1.00 1.04 H new ATOM 0 HD12 LEU A 65 -37.615 21.525 -8.476 1.00 1.04 H new ATOM 0 HD13 LEU A 65 -37.379 23.081 -9.307 1.00 1.04 H new ATOM 0 HD21 LEU A 65 -40.187 23.274 -10.524 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -38.663 23.597 -11.386 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -39.819 22.410 -12.036 1.00 1.21 H new ATOM 887 N GLN A 66 -36.482 19.785 -13.462 1.00 0.42 N ATOM 888 CA GLN A 66 -35.418 19.266 -14.369 1.00 0.42 C ATOM 889 C GLN A 66 -34.587 20.434 -14.909 1.00 0.40 C ATOM 890 O GLN A 66 -33.387 20.326 -15.075 1.00 0.38 O ATOM 891 CB GLN A 66 -36.062 18.517 -15.538 1.00 0.50 C ATOM 892 CG GLN A 66 -37.344 17.829 -15.062 1.00 1.34 C ATOM 893 CD GLN A 66 -38.123 17.309 -16.271 1.00 1.61 C ATOM 894 OE1 GLN A 66 -39.222 17.755 -16.538 1.00 2.23 O ATOM 895 NE2 GLN A 66 -37.599 16.377 -17.019 1.00 2.01 N ATOM 0 H GLN A 66 -36.844 20.707 -13.704 1.00 0.42 H new ATOM 0 HA GLN A 66 -34.771 18.587 -13.813 1.00 0.42 H new ATOM 0 HB2 GLN A 66 -36.289 19.211 -16.347 1.00 0.50 H new ATOM 0 HB3 GLN A 66 -35.367 17.778 -15.937 1.00 0.50 H new ATOM 0 HG2 GLN A 66 -37.100 17.005 -14.392 1.00 1.34 H new ATOM 0 HG3 GLN A 66 -37.957 18.530 -14.495 1.00 1.34 H new ATOM 0 HE21 GLN A 66 -36.677 16.002 -16.796 1.00 2.01 H new ATOM 0 HE22 GLN A 66 -38.111 16.023 -17.827 1.00 2.01 H new ATOM 904 N GLU A 67 -35.213 21.549 -15.183 1.00 0.41 N ATOM 905 CA GLU A 67 -34.456 22.721 -15.707 1.00 0.41 C ATOM 906 C GLU A 67 -33.805 23.462 -14.537 1.00 0.35 C ATOM 907 O GLU A 67 -34.387 23.607 -13.480 1.00 0.36 O ATOM 908 CB GLU A 67 -35.415 23.664 -16.438 1.00 0.48 C ATOM 909 CG GLU A 67 -36.319 22.852 -17.368 1.00 0.94 C ATOM 910 CD GLU A 67 -37.632 23.604 -17.589 1.00 1.51 C ATOM 911 OE1 GLU A 67 -38.050 24.307 -16.683 1.00 2.22 O ATOM 912 OE2 GLU A 67 -38.198 23.465 -18.661 1.00 2.08 O ATOM 0 H GLU A 67 -36.215 21.697 -15.066 1.00 0.41 H new ATOM 0 HA GLU A 67 -33.687 22.380 -16.400 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -36.019 24.216 -15.718 1.00 0.48 H new ATOM 0 HB3 GLU A 67 -34.852 24.400 -17.012 1.00 0.48 H new ATOM 0 HG2 GLU A 67 -35.819 22.683 -18.322 1.00 0.94 H new ATOM 0 HG3 GLU A 67 -36.518 21.872 -16.935 1.00 0.94 H new ATOM 919 N HIS A 68 -32.601 23.931 -14.713 1.00 0.32 N ATOM 920 CA HIS A 68 -31.921 24.655 -13.602 1.00 0.28 C ATOM 921 C HIS A 68 -30.799 25.524 -14.152 1.00 0.26 C ATOM 922 O HIS A 68 -30.004 25.089 -14.960 1.00 0.28 O ATOM 923 CB HIS A 68 -31.288 23.650 -12.637 1.00 0.29 C ATOM 924 CG HIS A 68 -32.338 22.761 -12.045 1.00 0.30 C ATOM 925 ND1 HIS A 68 -32.989 23.070 -10.864 1.00 0.32 N ATOM 926 CD2 HIS A 68 -32.840 21.553 -12.450 1.00 0.32 C ATOM 927 CE1 HIS A 68 -33.840 22.065 -10.598 1.00 0.35 C ATOM 928 NE2 HIS A 68 -33.792 21.114 -11.536 1.00 0.34 N ATOM 0 H HIS A 68 -32.060 23.845 -15.574 1.00 0.32 H new ATOM 0 HA HIS A 68 -32.665 25.267 -13.092 1.00 0.28 H new ATOM 0 HB2 HIS A 68 -30.547 23.048 -13.163 1.00 0.29 H new ATOM 0 HB3 HIS A 68 -30.762 24.180 -11.843 1.00 0.29 H new ATOM 0 HD2 HIS A 68 -32.542 21.022 -13.342 1.00 0.32 H new ATOM 0 HE1 HIS A 68 -34.484 22.030 -9.732 1.00 0.35 H new ATOM 0 HE2 HIS A 68 -34.336 20.252 -11.573 1.00 0.34 H new ATOM 936 N TRP A 69 -30.693 26.732 -13.688 1.00 0.26 N ATOM 937 CA TRP A 69 -29.578 27.590 -14.159 1.00 0.28 C ATOM 938 C TRP A 69 -28.324 27.141 -13.413 1.00 0.27 C ATOM 939 O TRP A 69 -28.082 27.538 -12.290 1.00 0.28 O ATOM 940 CB TRP A 69 -29.857 29.062 -13.840 1.00 0.33 C ATOM 941 CG TRP A 69 -30.885 29.603 -14.780 1.00 0.38 C ATOM 942 CD1 TRP A 69 -31.947 30.348 -14.413 1.00 0.51 C ATOM 943 CD2 TRP A 69 -30.965 29.466 -16.228 1.00 0.38 C ATOM 944 NE1 TRP A 69 -32.684 30.664 -15.539 1.00 0.55 N ATOM 945 CE2 TRP A 69 -32.118 30.145 -16.682 1.00 0.48 C ATOM 946 CE3 TRP A 69 -30.161 28.822 -17.178 1.00 0.39 C ATOM 947 CZ2 TRP A 69 -32.462 30.183 -18.032 1.00 0.54 C ATOM 948 CZ3 TRP A 69 -30.501 28.857 -18.541 1.00 0.49 C ATOM 949 CH2 TRP A 69 -31.652 29.536 -18.966 1.00 0.54 C ATOM 0 H TRP A 69 -31.323 27.160 -13.010 1.00 0.26 H new ATOM 0 HA TRP A 69 -29.459 27.496 -15.238 1.00 0.28 H new ATOM 0 HB2 TRP A 69 -30.205 29.160 -12.812 1.00 0.33 H new ATOM 0 HB3 TRP A 69 -28.937 29.641 -13.922 1.00 0.33 H new ATOM 0 HD1 TRP A 69 -32.184 30.649 -13.403 1.00 0.51 H new ATOM 0 HE1 TRP A 69 -33.543 31.215 -15.525 1.00 0.55 H new ATOM 0 HE3 TRP A 69 -29.274 28.295 -16.860 1.00 0.39 H new ATOM 0 HZ2 TRP A 69 -33.349 30.709 -18.353 1.00 0.54 H new ATOM 0 HZ3 TRP A 69 -29.873 28.359 -19.265 1.00 0.49 H new ATOM 0 HH2 TRP A 69 -31.911 29.558 -20.014 1.00 0.54 H new ATOM 960 N LEU A 70 -27.545 26.285 -14.014 1.00 0.32 N ATOM 961 CA LEU A 70 -26.326 25.779 -13.333 1.00 0.35 C ATOM 962 C LEU A 70 -25.219 26.833 -13.389 1.00 0.33 C ATOM 963 O LEU A 70 -24.601 27.052 -14.411 1.00 0.50 O ATOM 964 CB LEU A 70 -25.846 24.512 -14.041 1.00 0.47 C ATOM 965 CG LEU A 70 -24.627 23.958 -13.310 1.00 0.34 C ATOM 966 CD1 LEU A 70 -25.001 23.613 -11.868 1.00 0.43 C ATOM 967 CD2 LEU A 70 -24.136 22.697 -14.024 1.00 0.43 C ATOM 0 H LEU A 70 -27.703 25.914 -14.951 1.00 0.32 H new ATOM 0 HA LEU A 70 -26.562 25.561 -12.291 1.00 0.35 H new ATOM 0 HB2 LEU A 70 -26.642 23.768 -14.060 1.00 0.47 H new ATOM 0 HB3 LEU A 70 -25.593 24.734 -15.078 1.00 0.47 H new ATOM 0 HG LEU A 70 -23.837 24.709 -13.307 1.00 0.34 H new ATOM 0 HD11 LEU A 70 -24.127 23.218 -11.350 1.00 0.43 H new ATOM 0 HD12 LEU A 70 -25.350 24.511 -11.358 1.00 0.43 H new ATOM 0 HD13 LEU A 70 -25.793 22.864 -11.867 1.00 0.43 H new ATOM 0 HD21 LEU A 70 -23.265 22.300 -13.503 1.00 0.43 H new ATOM 0 HD22 LEU A 70 -24.929 21.949 -14.028 1.00 0.43 H new ATOM 0 HD23 LEU A 70 -23.864 22.943 -15.051 1.00 0.43 H new ATOM 979 N VAL A 71 -24.960 27.479 -12.286 1.00 0.33 N ATOM 980 CA VAL A 71 -23.889 28.512 -12.252 1.00 0.33 C ATOM 981 C VAL A 71 -22.605 27.875 -11.714 1.00 0.36 C ATOM 982 O VAL A 71 -22.638 26.847 -11.061 1.00 0.38 O ATOM 983 CB VAL A 71 -24.315 29.659 -11.335 1.00 0.33 C ATOM 984 CG1 VAL A 71 -23.414 30.870 -11.578 1.00 0.52 C ATOM 985 CG2 VAL A 71 -25.767 30.038 -11.636 1.00 0.38 C ATOM 0 H VAL A 71 -25.448 27.334 -11.402 1.00 0.33 H new ATOM 0 HA VAL A 71 -23.717 28.901 -13.255 1.00 0.33 H new ATOM 0 HB VAL A 71 -24.227 29.344 -10.295 1.00 0.33 H new ATOM 0 HG11 VAL A 71 -23.718 31.687 -10.924 1.00 0.52 H new ATOM 0 HG12 VAL A 71 -22.379 30.602 -11.366 1.00 0.52 H new ATOM 0 HG13 VAL A 71 -23.501 31.186 -12.618 1.00 0.52 H new ATOM 0 HG21 VAL A 71 -26.072 30.856 -10.983 1.00 0.38 H new ATOM 0 HG22 VAL A 71 -25.853 30.353 -12.676 1.00 0.38 H new ATOM 0 HG23 VAL A 71 -26.411 29.176 -11.463 1.00 0.38 H new ATOM 995 N GLU A 72 -21.475 28.468 -11.982 1.00 0.40 N ATOM 996 CA GLU A 72 -20.197 27.886 -11.487 1.00 0.45 C ATOM 997 C GLU A 72 -19.681 28.697 -10.296 1.00 0.49 C ATOM 998 O GLU A 72 -18.561 28.525 -9.858 1.00 0.75 O ATOM 999 CB GLU A 72 -19.159 27.914 -12.611 1.00 0.49 C ATOM 1000 CG GLU A 72 -19.828 27.529 -13.933 1.00 1.34 C ATOM 1001 CD GLU A 72 -18.780 27.493 -15.046 1.00 1.80 C ATOM 1002 OE1 GLU A 72 -17.787 28.191 -14.921 1.00 2.31 O ATOM 1003 OE2 GLU A 72 -18.988 26.768 -16.005 1.00 2.41 O ATOM 0 H GLU A 72 -21.381 29.329 -12.521 1.00 0.40 H new ATOM 0 HA GLU A 72 -20.369 26.857 -11.171 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -18.719 28.908 -12.690 1.00 0.49 H new ATOM 0 HB3 GLU A 72 -18.346 27.223 -12.387 1.00 0.49 H new ATOM 0 HG2 GLU A 72 -20.308 26.555 -13.839 1.00 1.34 H new ATOM 0 HG3 GLU A 72 -20.610 28.247 -14.179 1.00 1.34 H new ATOM 1010 N ASP A 73 -20.484 29.581 -9.767 1.00 0.45 N ATOM 1011 CA ASP A 73 -20.023 30.393 -8.605 1.00 0.52 C ATOM 1012 C ASP A 73 -21.229 30.980 -7.865 1.00 0.46 C ATOM 1013 O ASP A 73 -21.958 31.794 -8.395 1.00 0.46 O ATOM 1014 CB ASP A 73 -19.131 31.531 -9.105 1.00 0.64 C ATOM 1015 CG ASP A 73 -17.787 31.485 -8.375 1.00 0.83 C ATOM 1016 OD1 ASP A 73 -17.217 30.409 -8.291 1.00 1.37 O ATOM 1017 OD2 ASP A 73 -17.351 32.526 -7.912 1.00 1.46 O ATOM 0 H ASP A 73 -21.433 29.775 -10.087 1.00 0.45 H new ATOM 0 HA ASP A 73 -19.461 29.755 -7.923 1.00 0.52 H new ATOM 0 HB2 ASP A 73 -18.976 31.440 -10.180 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -19.618 32.491 -8.933 1.00 0.64 H new ATOM 1022 N MET A 74 -21.442 30.574 -6.642 1.00 0.48 N ATOM 1023 CA MET A 74 -22.588 31.107 -5.866 1.00 0.45 C ATOM 1024 C MET A 74 -22.389 32.605 -5.631 1.00 0.46 C ATOM 1025 O MET A 74 -23.336 33.358 -5.519 1.00 0.45 O ATOM 1026 CB MET A 74 -22.666 30.385 -4.520 1.00 0.50 C ATOM 1027 CG MET A 74 -21.257 30.215 -3.950 1.00 0.93 C ATOM 1028 SD MET A 74 -21.359 29.921 -2.166 1.00 1.46 S ATOM 1029 CE MET A 74 -19.903 30.887 -1.695 1.00 1.88 C ATOM 0 H MET A 74 -20.866 29.892 -6.149 1.00 0.48 H new ATOM 0 HA MET A 74 -23.513 30.946 -6.420 1.00 0.45 H new ATOM 0 HB2 MET A 74 -23.285 30.954 -3.826 1.00 0.50 H new ATOM 0 HB3 MET A 74 -23.139 29.411 -4.645 1.00 0.50 H new ATOM 0 HG2 MET A 74 -20.754 29.381 -4.439 1.00 0.93 H new ATOM 0 HG3 MET A 74 -20.663 31.107 -4.149 1.00 0.93 H new ATOM 0 HE1 MET A 74 -19.772 30.844 -0.614 1.00 1.88 H new ATOM 0 HE2 MET A 74 -19.020 30.476 -2.184 1.00 1.88 H new ATOM 0 HE3 MET A 74 -20.039 31.924 -2.003 1.00 1.88 H new ATOM 1039 N PHE A 75 -21.162 33.044 -5.556 1.00 0.51 N ATOM 1040 CA PHE A 75 -20.901 34.493 -5.330 1.00 0.56 C ATOM 1041 C PHE A 75 -21.596 35.306 -6.423 1.00 0.52 C ATOM 1042 O PHE A 75 -21.811 36.494 -6.285 1.00 0.56 O ATOM 1043 CB PHE A 75 -19.394 34.755 -5.376 1.00 0.64 C ATOM 1044 CG PHE A 75 -19.135 36.234 -5.223 1.00 0.73 C ATOM 1045 CD1 PHE A 75 -19.610 36.916 -4.096 1.00 1.27 C ATOM 1046 CD2 PHE A 75 -18.419 36.925 -6.209 1.00 1.26 C ATOM 1047 CE1 PHE A 75 -19.369 38.288 -3.955 1.00 1.37 C ATOM 1048 CE2 PHE A 75 -18.178 38.297 -6.067 1.00 1.35 C ATOM 1049 CZ PHE A 75 -18.653 38.978 -4.941 1.00 1.02 C ATOM 0 H PHE A 75 -20.329 32.461 -5.642 1.00 0.51 H new ATOM 0 HA PHE A 75 -21.288 34.787 -4.354 1.00 0.56 H new ATOM 0 HB2 PHE A 75 -18.894 34.203 -4.580 1.00 0.64 H new ATOM 0 HB3 PHE A 75 -18.981 34.398 -6.319 1.00 0.64 H new ATOM 0 HD1 PHE A 75 -20.162 36.384 -3.336 1.00 1.27 H new ATOM 0 HD2 PHE A 75 -18.053 36.400 -7.079 1.00 1.26 H new ATOM 0 HE1 PHE A 75 -19.735 38.814 -3.086 1.00 1.37 H new ATOM 0 HE2 PHE A 75 -17.625 38.830 -6.827 1.00 1.35 H new ATOM 0 HZ PHE A 75 -18.467 40.036 -4.832 1.00 1.02 H new ATOM 1059 N ILE A 76 -21.950 34.673 -7.507 1.00 0.50 N ATOM 1060 CA ILE A 76 -22.632 35.406 -8.609 1.00 0.50 C ATOM 1061 C ILE A 76 -23.966 35.953 -8.099 1.00 0.46 C ATOM 1062 O ILE A 76 -24.342 37.070 -8.395 1.00 0.48 O ATOM 1063 CB ILE A 76 -22.882 34.453 -9.779 1.00 0.53 C ATOM 1064 CG1 ILE A 76 -21.545 34.072 -10.419 1.00 0.61 C ATOM 1065 CG2 ILE A 76 -23.766 35.142 -10.820 1.00 0.61 C ATOM 1066 CD1 ILE A 76 -21.798 33.197 -11.648 1.00 0.61 C ATOM 0 H ILE A 76 -21.796 33.679 -7.677 1.00 0.50 H new ATOM 0 HA ILE A 76 -22.003 36.231 -8.945 1.00 0.50 H new ATOM 0 HB ILE A 76 -23.382 33.555 -9.416 1.00 0.53 H new ATOM 0 HG12 ILE A 76 -20.998 34.970 -10.705 1.00 0.61 H new ATOM 0 HG13 ILE A 76 -20.925 33.537 -9.700 1.00 0.61 H new ATOM 0 HG21 ILE A 76 -23.944 34.462 -11.653 1.00 0.61 H new ATOM 0 HG22 ILE A 76 -24.718 35.415 -10.365 1.00 0.61 H new ATOM 0 HG23 ILE A 76 -23.267 36.040 -11.184 1.00 0.61 H new ATOM 0 HD11 ILE A 76 -20.846 32.926 -12.104 1.00 0.61 H new ATOM 0 HD12 ILE A 76 -22.327 32.293 -11.348 1.00 0.61 H new ATOM 0 HD13 ILE A 76 -22.401 33.748 -12.369 1.00 0.61 H new ATOM 1078 N PHE A 77 -24.685 35.178 -7.332 1.00 0.44 N ATOM 1079 CA PHE A 77 -25.987 35.657 -6.803 1.00 0.44 C ATOM 1080 C PHE A 77 -25.798 36.994 -6.087 1.00 0.43 C ATOM 1081 O PHE A 77 -24.762 37.623 -6.171 1.00 0.51 O ATOM 1082 CB PHE A 77 -26.521 34.656 -5.785 1.00 0.47 C ATOM 1083 CG PHE A 77 -26.743 33.311 -6.425 1.00 0.41 C ATOM 1084 CD1 PHE A 77 -27.756 33.149 -7.375 1.00 1.10 C ATOM 1085 CD2 PHE A 77 -25.952 32.218 -6.049 1.00 1.25 C ATOM 1086 CE1 PHE A 77 -27.976 31.895 -7.953 1.00 1.10 C ATOM 1087 CE2 PHE A 77 -26.175 30.964 -6.622 1.00 1.25 C ATOM 1088 CZ PHE A 77 -27.187 30.803 -7.575 1.00 0.39 C ATOM 0 H PHE A 77 -24.423 34.233 -7.051 1.00 0.44 H new ATOM 0 HA PHE A 77 -26.681 35.769 -7.636 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -25.816 34.559 -4.959 1.00 0.47 H new ATOM 0 HB3 PHE A 77 -27.457 35.023 -5.364 1.00 0.47 H new ATOM 0 HD1 PHE A 77 -28.368 33.991 -7.662 1.00 1.10 H new ATOM 0 HD2 PHE A 77 -25.169 32.345 -5.316 1.00 1.25 H new ATOM 0 HE1 PHE A 77 -28.755 31.769 -8.691 1.00 1.10 H new ATOM 0 HE2 PHE A 77 -25.568 30.120 -6.330 1.00 1.25 H new ATOM 0 HZ PHE A 77 -27.359 29.834 -8.020 1.00 0.39 H new ATOM 1098 N GLU A 78 -26.795 37.408 -5.356 1.00 0.45 N ATOM 1099 CA GLU A 78 -26.703 38.679 -4.591 1.00 0.51 C ATOM 1100 C GLU A 78 -27.203 38.407 -3.171 1.00 0.54 C ATOM 1101 O GLU A 78 -26.461 37.966 -2.316 1.00 0.51 O ATOM 1102 CB GLU A 78 -27.575 39.747 -5.255 1.00 0.63 C ATOM 1103 CG GLU A 78 -26.753 40.500 -6.303 1.00 1.38 C ATOM 1104 CD GLU A 78 -27.503 41.764 -6.729 1.00 1.42 C ATOM 1105 OE1 GLU A 78 -28.706 41.681 -6.911 1.00 1.87 O ATOM 1106 OE2 GLU A 78 -26.861 42.792 -6.866 1.00 1.94 O ATOM 0 H GLU A 78 -27.681 36.912 -5.256 1.00 0.45 H new ATOM 0 HA GLU A 78 -25.674 39.039 -4.569 1.00 0.51 H new ATOM 0 HB2 GLU A 78 -28.443 39.283 -5.723 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -27.951 40.442 -4.505 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -25.777 40.764 -5.895 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -26.574 39.861 -7.168 1.00 1.38 H new ATOM 1113 N ASN A 79 -28.462 38.638 -2.918 1.00 0.65 N ATOM 1114 CA ASN A 79 -29.012 38.361 -1.562 1.00 0.72 C ATOM 1115 C ASN A 79 -29.551 36.927 -1.533 1.00 0.64 C ATOM 1116 O ASN A 79 -30.634 36.671 -1.046 1.00 0.74 O ATOM 1117 CB ASN A 79 -30.145 39.343 -1.257 1.00 0.92 C ATOM 1118 CG ASN A 79 -29.582 40.763 -1.170 1.00 1.10 C ATOM 1119 OD1 ASN A 79 -28.421 40.950 -0.863 1.00 1.64 O ATOM 1120 ND2 ASN A 79 -30.360 41.778 -1.428 1.00 1.64 N ATOM 0 H ASN A 79 -29.133 39.007 -3.592 1.00 0.65 H new ATOM 0 HA ASN A 79 -28.229 38.478 -0.813 1.00 0.72 H new ATOM 0 HB2 ASN A 79 -30.906 39.289 -2.036 1.00 0.92 H new ATOM 0 HB3 ASN A 79 -30.630 39.075 -0.318 1.00 0.92 H new ATOM 0 HD21 ASN A 79 -29.994 42.728 -1.372 1.00 1.64 H new ATOM 0 HD22 ASN A 79 -31.334 41.621 -1.686 1.00 1.64 H new ATOM 1127 N VAL A 80 -28.809 35.992 -2.068 1.00 0.49 N ATOM 1128 CA VAL A 80 -29.282 34.575 -2.090 1.00 0.43 C ATOM 1129 C VAL A 80 -28.813 33.850 -0.822 1.00 0.40 C ATOM 1130 O VAL A 80 -27.771 34.147 -0.272 1.00 0.63 O ATOM 1131 CB VAL A 80 -28.735 33.887 -3.358 1.00 0.39 C ATOM 1132 CG1 VAL A 80 -27.423 33.143 -3.074 1.00 0.51 C ATOM 1133 CG2 VAL A 80 -29.762 32.891 -3.892 1.00 0.57 C ATOM 0 H VAL A 80 -27.894 36.149 -2.491 1.00 0.49 H new ATOM 0 HA VAL A 80 -30.371 34.542 -2.112 1.00 0.43 H new ATOM 0 HB VAL A 80 -28.541 34.664 -4.097 1.00 0.39 H new ATOM 0 HG11 VAL A 80 -27.067 32.671 -3.990 1.00 0.51 H new ATOM 0 HG12 VAL A 80 -26.674 33.849 -2.715 1.00 0.51 H new ATOM 0 HG13 VAL A 80 -27.595 32.380 -2.315 1.00 0.51 H new ATOM 0 HG21 VAL A 80 -29.370 32.409 -4.787 1.00 0.57 H new ATOM 0 HG22 VAL A 80 -29.966 32.136 -3.133 1.00 0.57 H new ATOM 0 HG23 VAL A 80 -30.685 33.416 -4.138 1.00 0.57 H new ATOM 1143 N GLY A 81 -29.579 32.900 -0.358 1.00 0.53 N ATOM 1144 CA GLY A 81 -29.186 32.152 0.871 1.00 0.48 C ATOM 1145 C GLY A 81 -28.914 30.691 0.512 1.00 0.40 C ATOM 1146 O GLY A 81 -28.881 30.324 -0.646 1.00 0.50 O ATOM 0 H GLY A 81 -30.462 32.609 -0.778 1.00 0.53 H new ATOM 0 HA2 GLY A 81 -28.297 32.601 1.314 1.00 0.48 H new ATOM 0 HA3 GLY A 81 -29.979 32.213 1.616 1.00 0.48 H new ATOM 1150 N PHE A 82 -28.715 29.851 1.491 1.00 0.47 N ATOM 1151 CA PHE A 82 -28.439 28.418 1.191 1.00 0.44 C ATOM 1152 C PHE A 82 -29.099 27.523 2.245 1.00 0.45 C ATOM 1153 O PHE A 82 -28.833 27.637 3.425 1.00 0.64 O ATOM 1154 CB PHE A 82 -26.927 28.185 1.195 1.00 0.48 C ATOM 1155 CG PHE A 82 -26.343 28.681 -0.105 1.00 0.46 C ATOM 1156 CD1 PHE A 82 -26.422 27.885 -1.252 1.00 1.29 C ATOM 1157 CD2 PHE A 82 -25.729 29.938 -0.166 1.00 1.23 C ATOM 1158 CE1 PHE A 82 -25.886 28.343 -2.461 1.00 1.30 C ATOM 1159 CE2 PHE A 82 -25.194 30.397 -1.375 1.00 1.23 C ATOM 1160 CZ PHE A 82 -25.272 29.599 -2.524 1.00 0.49 C ATOM 0 H PHE A 82 -28.732 30.094 2.482 1.00 0.47 H new ATOM 0 HA PHE A 82 -28.848 28.170 0.211 1.00 0.44 H new ATOM 0 HB2 PHE A 82 -26.469 28.707 2.035 1.00 0.48 H new ATOM 0 HB3 PHE A 82 -26.711 27.124 1.323 1.00 0.48 H new ATOM 0 HD1 PHE A 82 -26.897 26.916 -1.205 1.00 1.29 H new ATOM 0 HD2 PHE A 82 -25.668 30.553 0.720 1.00 1.23 H new ATOM 0 HE1 PHE A 82 -25.946 27.727 -3.346 1.00 1.30 H new ATOM 0 HE2 PHE A 82 -24.721 31.367 -1.422 1.00 1.23 H new ATOM 0 HZ PHE A 82 -24.859 29.953 -3.457 1.00 0.49 H new ATOM 1170 N THR A 83 -29.953 26.628 1.824 1.00 0.49 N ATOM 1171 CA THR A 83 -30.626 25.720 2.789 1.00 0.53 C ATOM 1172 C THR A 83 -29.692 24.545 3.103 1.00 0.50 C ATOM 1173 O THR A 83 -29.411 23.720 2.255 1.00 0.43 O ATOM 1174 CB THR A 83 -31.932 25.213 2.162 1.00 0.58 C ATOM 1175 OG1 THR A 83 -32.958 26.171 2.380 1.00 0.90 O ATOM 1176 CG2 THR A 83 -32.343 23.879 2.788 1.00 0.65 C ATOM 0 H THR A 83 -30.212 26.489 0.847 1.00 0.49 H new ATOM 0 HA THR A 83 -30.855 26.247 3.715 1.00 0.53 H new ATOM 0 HB THR A 83 -31.778 25.067 1.093 1.00 0.58 H new ATOM 0 HG1 THR A 83 -33.308 26.074 3.290 1.00 0.90 H new ATOM 0 HG21 THR A 83 -33.271 23.534 2.332 1.00 0.65 H new ATOM 0 HG22 THR A 83 -31.559 23.141 2.619 1.00 0.65 H new ATOM 0 HG23 THR A 83 -32.492 24.011 3.860 1.00 0.65 H new ATOM 1184 N LYS A 84 -29.212 24.470 4.316 1.00 0.67 N ATOM 1185 CA LYS A 84 -28.294 23.358 4.696 1.00 0.71 C ATOM 1186 C LYS A 84 -28.792 22.046 4.086 1.00 0.61 C ATOM 1187 O LYS A 84 -29.928 21.934 3.670 1.00 0.75 O ATOM 1188 CB LYS A 84 -28.255 23.228 6.220 1.00 1.01 C ATOM 1189 CG LYS A 84 -29.676 23.316 6.778 1.00 1.69 C ATOM 1190 CD LYS A 84 -29.755 24.454 7.797 1.00 1.86 C ATOM 1191 CE LYS A 84 -30.763 25.500 7.318 1.00 2.16 C ATOM 1192 NZ LYS A 84 -31.397 26.156 8.497 1.00 2.56 N ATOM 0 H LYS A 84 -29.417 25.134 5.062 1.00 0.67 H new ATOM 0 HA LYS A 84 -27.293 23.573 4.322 1.00 0.71 H new ATOM 0 HB2 LYS A 84 -27.800 22.278 6.503 1.00 1.01 H new ATOM 0 HB3 LYS A 84 -27.636 24.017 6.647 1.00 1.01 H new ATOM 0 HG2 LYS A 84 -30.386 23.488 5.969 1.00 1.69 H new ATOM 0 HG3 LYS A 84 -29.952 22.372 7.249 1.00 1.69 H new ATOM 0 HD2 LYS A 84 -30.054 24.065 8.770 1.00 1.86 H new ATOM 0 HD3 LYS A 84 -28.774 24.911 7.924 1.00 1.86 H new ATOM 0 HE2 LYS A 84 -30.263 26.245 6.699 1.00 2.16 H new ATOM 0 HE3 LYS A 84 -31.525 25.029 6.697 1.00 2.16 H new ATOM 0 HZ1 LYS A 84 -32.082 26.867 8.172 1.00 2.56 H new ATOM 0 HZ2 LYS A 84 -31.887 25.440 9.071 1.00 2.56 H new ATOM 0 HZ3 LYS A 84 -30.665 26.619 9.072 1.00 2.56 H new ATOM 1206 N ASP A 85 -27.947 21.053 4.028 1.00 0.80 N ATOM 1207 CA ASP A 85 -28.363 19.752 3.445 1.00 1.00 C ATOM 1208 C ASP A 85 -29.598 19.227 4.181 1.00 0.83 C ATOM 1209 O ASP A 85 -29.555 18.937 5.360 1.00 1.00 O ATOM 1210 CB ASP A 85 -27.215 18.752 3.586 1.00 1.48 C ATOM 1211 CG ASP A 85 -27.083 18.323 5.048 1.00 1.92 C ATOM 1212 OD1 ASP A 85 -26.387 19.003 5.784 1.00 2.43 O ATOM 1213 OD2 ASP A 85 -27.680 17.322 5.407 1.00 2.61 O ATOM 0 H ASP A 85 -26.984 21.090 4.361 1.00 0.80 H new ATOM 0 HA ASP A 85 -28.608 19.884 2.391 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -27.399 17.881 2.956 1.00 1.48 H new ATOM 0 HB3 ASP A 85 -26.283 19.202 3.243 1.00 1.48 H new ATOM 1218 N VAL A 86 -30.700 19.099 3.493 1.00 0.74 N ATOM 1219 CA VAL A 86 -31.934 18.589 4.154 1.00 0.89 C ATOM 1220 C VAL A 86 -31.965 17.066 4.053 1.00 1.01 C ATOM 1221 O VAL A 86 -32.954 16.478 3.662 1.00 1.39 O ATOM 1222 CB VAL A 86 -33.167 19.164 3.458 1.00 1.11 C ATOM 1223 CG1 VAL A 86 -34.413 18.860 4.290 1.00 1.46 C ATOM 1224 CG2 VAL A 86 -33.009 20.678 3.310 1.00 1.10 C ATOM 0 H VAL A 86 -30.799 19.325 2.503 1.00 0.74 H new ATOM 0 HA VAL A 86 -31.935 18.892 5.201 1.00 0.89 H new ATOM 0 HB VAL A 86 -33.271 18.711 2.472 1.00 1.11 H new ATOM 0 HG11 VAL A 86 -35.292 19.271 3.793 1.00 1.46 H new ATOM 0 HG12 VAL A 86 -34.526 17.781 4.395 1.00 1.46 H new ATOM 0 HG13 VAL A 86 -34.311 19.311 5.277 1.00 1.46 H new ATOM 0 HG21 VAL A 86 -33.888 21.089 2.814 1.00 1.10 H new ATOM 0 HG22 VAL A 86 -32.904 21.131 4.296 1.00 1.10 H new ATOM 0 HG23 VAL A 86 -32.122 20.895 2.715 1.00 1.10 H new ATOM 1234 N GLY A 87 -30.888 16.422 4.401 1.00 0.91 N ATOM 1235 CA GLY A 87 -30.854 14.937 4.324 1.00 1.08 C ATOM 1236 C GLY A 87 -29.719 14.499 3.398 1.00 0.98 C ATOM 1237 O GLY A 87 -28.855 13.735 3.781 1.00 1.09 O ATOM 0 H GLY A 87 -30.030 16.860 4.735 1.00 0.91 H new ATOM 0 HA2 GLY A 87 -30.710 14.514 5.318 1.00 1.08 H new ATOM 0 HA3 GLY A 87 -31.807 14.560 3.952 1.00 1.08 H new ATOM 1241 N ASN A 88 -29.713 14.968 2.177 1.00 0.94 N ATOM 1242 CA ASN A 88 -28.629 14.561 1.238 1.00 0.94 C ATOM 1243 C ASN A 88 -28.438 15.622 0.147 1.00 0.81 C ATOM 1244 O ASN A 88 -27.811 15.370 -0.862 1.00 1.01 O ATOM 1245 CB ASN A 88 -28.999 13.227 0.584 1.00 1.22 C ATOM 1246 CG ASN A 88 -29.761 12.358 1.587 1.00 1.92 C ATOM 1247 OD1 ASN A 88 -30.869 12.679 1.968 1.00 2.67 O ATOM 1248 ND2 ASN A 88 -29.210 11.262 2.033 1.00 2.58 N ATOM 0 H ASN A 88 -30.406 15.610 1.793 1.00 0.94 H new ATOM 0 HA ASN A 88 -27.699 14.458 1.798 1.00 0.94 H new ATOM 0 HB2 ASN A 88 -29.612 13.402 -0.300 1.00 1.22 H new ATOM 0 HB3 ASN A 88 -28.098 12.711 0.251 1.00 1.22 H new ATOM 0 HD21 ASN A 88 -29.710 10.675 2.701 1.00 2.58 H new ATOM 0 HD22 ASN A 88 -28.280 10.992 1.713 1.00 2.58 H new ATOM 1255 N ILE A 89 -28.963 16.806 0.330 1.00 0.68 N ATOM 1256 CA ILE A 89 -28.783 17.855 -0.718 1.00 0.56 C ATOM 1257 C ILE A 89 -28.747 19.243 -0.093 1.00 0.49 C ATOM 1258 O ILE A 89 -29.654 19.642 0.609 1.00 0.63 O ATOM 1259 CB ILE A 89 -29.954 17.843 -1.698 1.00 0.64 C ATOM 1260 CG1 ILE A 89 -30.168 16.448 -2.271 1.00 1.25 C ATOM 1261 CG2 ILE A 89 -29.661 18.813 -2.844 1.00 0.65 C ATOM 1262 CD1 ILE A 89 -31.229 16.542 -3.367 1.00 1.97 C ATOM 0 H ILE A 89 -29.502 17.090 1.148 1.00 0.68 H new ATOM 0 HA ILE A 89 -27.845 17.636 -1.229 1.00 0.56 H new ATOM 0 HB ILE A 89 -30.856 18.145 -1.165 1.00 0.64 H new ATOM 0 HG12 ILE A 89 -29.235 16.056 -2.677 1.00 1.25 H new ATOM 0 HG13 ILE A 89 -30.489 15.760 -1.489 1.00 1.25 H new ATOM 0 HG21 ILE A 89 -30.494 18.808 -3.547 1.00 0.65 H new ATOM 0 HG22 ILE A 89 -29.529 19.819 -2.445 1.00 0.65 H new ATOM 0 HG23 ILE A 89 -28.751 18.504 -3.358 1.00 0.65 H new ATOM 0 HD11 ILE A 89 -31.400 15.554 -3.794 1.00 1.97 H new ATOM 0 HD12 ILE A 89 -32.159 16.920 -2.942 1.00 1.97 H new ATOM 0 HD13 ILE A 89 -30.886 17.220 -4.148 1.00 1.97 H new ATOM 1274 N LYS A 90 -27.739 20.007 -0.393 1.00 0.38 N ATOM 1275 CA LYS A 90 -27.693 21.392 0.133 1.00 0.42 C ATOM 1276 C LYS A 90 -28.578 22.240 -0.781 1.00 0.42 C ATOM 1277 O LYS A 90 -28.201 22.575 -1.886 1.00 0.65 O ATOM 1278 CB LYS A 90 -26.255 21.917 0.103 1.00 0.47 C ATOM 1279 CG LYS A 90 -25.439 21.239 1.206 1.00 0.87 C ATOM 1280 CD LYS A 90 -25.177 22.237 2.335 1.00 1.18 C ATOM 1281 CE LYS A 90 -23.826 22.918 2.111 1.00 1.41 C ATOM 1282 NZ LYS A 90 -23.362 23.532 3.387 1.00 2.10 N ATOM 0 H LYS A 90 -26.949 19.733 -0.977 1.00 0.38 H new ATOM 0 HA LYS A 90 -28.042 21.431 1.165 1.00 0.42 H new ATOM 0 HB2 LYS A 90 -25.805 21.720 -0.870 1.00 0.47 H new ATOM 0 HB3 LYS A 90 -26.249 22.998 0.244 1.00 0.47 H new ATOM 0 HG2 LYS A 90 -25.977 20.372 1.590 1.00 0.87 H new ATOM 0 HG3 LYS A 90 -24.494 20.875 0.802 1.00 0.87 H new ATOM 0 HD2 LYS A 90 -25.971 22.983 2.367 1.00 1.18 H new ATOM 0 HD3 LYS A 90 -25.183 21.724 3.297 1.00 1.18 H new ATOM 0 HE2 LYS A 90 -23.095 22.191 1.757 1.00 1.41 H new ATOM 0 HE3 LYS A 90 -23.915 23.682 1.339 1.00 1.41 H new ATOM 0 HZ1 LYS A 90 -22.443 23.995 3.235 1.00 2.10 H new ATOM 0 HZ2 LYS A 90 -24.057 24.237 3.706 1.00 2.10 H new ATOM 0 HZ3 LYS A 90 -23.262 22.793 4.112 1.00 2.10 H new ATOM 1296 N PHE A 91 -29.765 22.563 -0.352 1.00 0.34 N ATOM 1297 CA PHE A 91 -30.666 23.360 -1.229 1.00 0.38 C ATOM 1298 C PHE A 91 -30.259 24.834 -1.169 1.00 0.37 C ATOM 1299 O PHE A 91 -29.316 25.199 -0.496 1.00 0.48 O ATOM 1300 CB PHE A 91 -32.112 23.221 -0.748 1.00 0.44 C ATOM 1301 CG PHE A 91 -32.601 21.812 -0.980 1.00 0.44 C ATOM 1302 CD1 PHE A 91 -32.660 21.288 -2.278 1.00 1.22 C ATOM 1303 CD2 PHE A 91 -33.006 21.031 0.107 1.00 1.32 C ATOM 1304 CE1 PHE A 91 -33.122 19.983 -2.484 1.00 1.25 C ATOM 1305 CE2 PHE A 91 -33.469 19.727 -0.099 1.00 1.33 C ATOM 1306 CZ PHE A 91 -33.526 19.202 -1.394 1.00 0.54 C ATOM 0 H PHE A 91 -30.148 22.313 0.560 1.00 0.34 H new ATOM 0 HA PHE A 91 -30.586 22.994 -2.253 1.00 0.38 H new ATOM 0 HB2 PHE A 91 -32.176 23.467 0.312 1.00 0.44 H new ATOM 0 HB3 PHE A 91 -32.750 23.928 -1.279 1.00 0.44 H new ATOM 0 HD1 PHE A 91 -32.349 21.890 -3.119 1.00 1.22 H new ATOM 0 HD2 PHE A 91 -32.961 21.435 1.107 1.00 1.32 H new ATOM 0 HE1 PHE A 91 -33.167 19.578 -3.484 1.00 1.25 H new ATOM 0 HE2 PHE A 91 -33.782 19.126 0.742 1.00 1.33 H new ATOM 0 HZ PHE A 91 -33.881 18.195 -1.553 1.00 0.54 H new ATOM 1316 N LEU A 92 -30.966 25.685 -1.861 1.00 0.39 N ATOM 1317 CA LEU A 92 -30.626 27.136 -1.834 1.00 0.41 C ATOM 1318 C LEU A 92 -31.876 27.935 -1.478 1.00 0.43 C ATOM 1319 O LEU A 92 -32.961 27.642 -1.943 1.00 0.56 O ATOM 1320 CB LEU A 92 -30.135 27.576 -3.208 1.00 0.52 C ATOM 1321 CG LEU A 92 -28.743 27.006 -3.459 1.00 0.57 C ATOM 1322 CD1 LEU A 92 -28.860 25.542 -3.878 1.00 1.01 C ATOM 1323 CD2 LEU A 92 -28.061 27.806 -4.570 1.00 1.01 C ATOM 0 H LEU A 92 -31.765 25.438 -2.445 1.00 0.39 H new ATOM 0 HA LEU A 92 -29.844 27.310 -1.094 1.00 0.41 H new ATOM 0 HB2 LEU A 92 -30.824 27.232 -3.979 1.00 0.52 H new ATOM 0 HB3 LEU A 92 -30.109 28.664 -3.265 1.00 0.52 H new ATOM 0 HG LEU A 92 -28.150 27.073 -2.547 1.00 0.57 H new ATOM 0 HD11 LEU A 92 -27.865 25.134 -4.058 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -29.347 24.974 -3.085 1.00 1.01 H new ATOM 0 HD13 LEU A 92 -29.451 25.471 -4.791 1.00 1.01 H new ATOM 0 HD21 LEU A 92 -27.066 27.401 -4.752 1.00 1.01 H new ATOM 0 HD22 LEU A 92 -28.653 27.738 -5.483 1.00 1.01 H new ATOM 0 HD23 LEU A 92 -27.978 28.850 -4.268 1.00 1.01 H new ATOM 1335 N VAL A 93 -31.736 28.943 -0.662 1.00 0.43 N ATOM 1336 CA VAL A 93 -32.923 29.760 -0.278 1.00 0.49 C ATOM 1337 C VAL A 93 -32.550 31.243 -0.255 1.00 0.49 C ATOM 1338 O VAL A 93 -31.681 31.662 0.482 1.00 0.80 O ATOM 1339 CB VAL A 93 -33.402 29.342 1.113 1.00 0.55 C ATOM 1340 CG1 VAL A 93 -34.181 28.030 1.015 1.00 0.61 C ATOM 1341 CG2 VAL A 93 -32.193 29.150 2.031 1.00 0.61 C ATOM 0 H VAL A 93 -30.853 29.237 -0.245 1.00 0.43 H new ATOM 0 HA VAL A 93 -33.717 29.598 -1.007 1.00 0.49 H new ATOM 0 HB VAL A 93 -34.050 30.117 1.521 1.00 0.55 H new ATOM 0 HG11 VAL A 93 -34.521 27.734 2.007 1.00 0.61 H new ATOM 0 HG12 VAL A 93 -35.043 28.166 0.362 1.00 0.61 H new ATOM 0 HG13 VAL A 93 -33.535 27.253 0.606 1.00 0.61 H new ATOM 0 HG21 VAL A 93 -32.533 28.852 3.023 1.00 0.61 H new ATOM 0 HG22 VAL A 93 -31.545 28.375 1.622 1.00 0.61 H new ATOM 0 HG23 VAL A 93 -31.639 30.086 2.103 1.00 0.61 H new ATOM 1351 N CYS A 94 -33.207 32.040 -1.052 1.00 0.39 N ATOM 1352 CA CYS A 94 -32.898 33.498 -1.076 1.00 0.38 C ATOM 1353 C CYS A 94 -32.779 34.018 0.361 1.00 0.39 C ATOM 1354 O CYS A 94 -33.633 33.780 1.191 1.00 0.45 O ATOM 1355 CB CYS A 94 -34.025 34.238 -1.802 1.00 0.39 C ATOM 1356 SG CYS A 94 -33.641 36.005 -1.891 1.00 0.42 S ATOM 0 H CYS A 94 -33.946 31.744 -1.689 1.00 0.39 H new ATOM 0 HA CYS A 94 -31.956 33.667 -1.598 1.00 0.38 H new ATOM 0 HB2 CYS A 94 -34.151 33.833 -2.806 1.00 0.39 H new ATOM 0 HB3 CYS A 94 -34.968 34.088 -1.277 1.00 0.39 H new ATOM 1361 N ALA A 95 -31.718 34.719 0.660 1.00 0.41 N ATOM 1362 CA ALA A 95 -31.530 35.249 2.043 1.00 0.47 C ATOM 1363 C ALA A 95 -32.608 36.290 2.359 1.00 0.46 C ATOM 1364 O ALA A 95 -32.877 36.588 3.506 1.00 0.51 O ATOM 1365 CB ALA A 95 -30.149 35.900 2.149 1.00 0.57 C ATOM 0 H ALA A 95 -30.971 34.948 0.004 1.00 0.41 H new ATOM 0 HA ALA A 95 -31.609 34.428 2.755 1.00 0.47 H new ATOM 0 HB1 ALA A 95 -30.006 36.289 3.157 1.00 0.57 H new ATOM 0 HB2 ALA A 95 -29.380 35.158 1.934 1.00 0.57 H new ATOM 0 HB3 ALA A 95 -30.076 36.717 1.431 1.00 0.57 H new ATOM 1371 N ASP A 96 -33.225 36.849 1.356 1.00 0.44 N ATOM 1372 CA ASP A 96 -34.282 37.871 1.605 1.00 0.49 C ATOM 1373 C ASP A 96 -35.588 37.172 1.985 1.00 0.47 C ATOM 1374 O ASP A 96 -36.497 37.777 2.519 1.00 0.56 O ATOM 1375 CB ASP A 96 -34.500 38.697 0.336 1.00 0.54 C ATOM 1376 CG ASP A 96 -34.085 40.147 0.592 1.00 0.65 C ATOM 1377 OD1 ASP A 96 -34.296 40.617 1.699 1.00 1.34 O ATOM 1378 OD2 ASP A 96 -33.564 40.764 -0.322 1.00 1.21 O ATOM 0 H ASP A 96 -33.044 36.643 0.374 1.00 0.44 H new ATOM 0 HA ASP A 96 -33.969 38.526 2.418 1.00 0.49 H new ATOM 0 HB2 ASP A 96 -33.917 38.281 -0.486 1.00 0.54 H new ATOM 0 HB3 ASP A 96 -35.548 38.655 0.038 1.00 0.54 H new ATOM 1383 N CYS A 97 -35.684 35.899 1.720 1.00 0.45 N ATOM 1384 CA CYS A 97 -36.924 35.152 2.069 1.00 0.50 C ATOM 1385 C CYS A 97 -36.573 33.679 2.275 1.00 0.52 C ATOM 1386 O CYS A 97 -37.103 32.807 1.617 1.00 0.64 O ATOM 1387 CB CYS A 97 -37.947 35.286 0.937 1.00 0.60 C ATOM 1388 SG CYS A 97 -37.102 35.198 -0.661 1.00 0.47 S ATOM 0 H CYS A 97 -34.954 35.342 1.275 1.00 0.45 H new ATOM 0 HA CYS A 97 -37.354 35.561 2.983 1.00 0.50 H new ATOM 0 HB2 CYS A 97 -38.691 34.493 1.010 1.00 0.60 H new ATOM 0 HB3 CYS A 97 -38.480 36.232 1.026 1.00 0.60 H new ATOM 1393 N GLU A 98 -35.670 33.407 3.180 1.00 0.66 N ATOM 1394 CA GLU A 98 -35.254 31.999 3.446 1.00 0.80 C ATOM 1395 C GLU A 98 -36.460 31.063 3.341 1.00 0.70 C ATOM 1396 O GLU A 98 -37.231 30.917 4.269 1.00 1.04 O ATOM 1397 CB GLU A 98 -34.658 31.903 4.851 1.00 1.20 C ATOM 1398 CG GLU A 98 -33.557 32.953 5.012 1.00 2.06 C ATOM 1399 CD GLU A 98 -32.644 32.562 6.175 1.00 2.61 C ATOM 1400 OE1 GLU A 98 -33.010 32.832 7.307 1.00 3.34 O ATOM 1401 OE2 GLU A 98 -31.593 32.000 5.914 1.00 2.80 O ATOM 0 H GLU A 98 -35.198 34.108 3.752 1.00 0.66 H new ATOM 0 HA GLU A 98 -34.509 31.703 2.707 1.00 0.80 H new ATOM 0 HB2 GLU A 98 -35.436 32.059 5.599 1.00 1.20 H new ATOM 0 HB3 GLU A 98 -34.251 30.906 5.017 1.00 1.20 H new ATOM 0 HG2 GLU A 98 -32.978 33.032 4.092 1.00 2.06 H new ATOM 0 HG3 GLU A 98 -33.998 33.933 5.196 1.00 2.06 H new ATOM 1408 N ILE A 99 -36.623 30.427 2.214 1.00 0.63 N ATOM 1409 CA ILE A 99 -37.771 29.496 2.036 1.00 0.85 C ATOM 1410 C ILE A 99 -37.368 28.394 1.056 1.00 0.94 C ATOM 1411 O ILE A 99 -37.207 27.248 1.427 1.00 1.73 O ATOM 1412 CB ILE A 99 -38.971 30.264 1.478 1.00 1.10 C ATOM 1413 CG1 ILE A 99 -39.485 31.243 2.535 1.00 1.70 C ATOM 1414 CG2 ILE A 99 -40.083 29.279 1.111 1.00 1.85 C ATOM 1415 CD1 ILE A 99 -40.831 31.817 2.089 1.00 2.19 C ATOM 0 H ILE A 99 -36.007 30.513 1.405 1.00 0.63 H new ATOM 0 HA ILE A 99 -38.042 29.056 2.996 1.00 0.85 H new ATOM 0 HB ILE A 99 -38.667 30.815 0.588 1.00 1.10 H new ATOM 0 HG12 ILE A 99 -39.594 30.735 3.493 1.00 1.70 H new ATOM 0 HG13 ILE A 99 -38.765 32.048 2.681 1.00 1.70 H new ATOM 0 HG21 ILE A 99 -40.938 29.827 0.714 1.00 1.85 H new ATOM 0 HG22 ILE A 99 -39.717 28.581 0.358 1.00 1.85 H new ATOM 0 HG23 ILE A 99 -40.388 28.727 2.000 1.00 1.85 H new ATOM 0 HD11 ILE A 99 -41.197 32.514 2.843 1.00 2.19 H new ATOM 0 HD12 ILE A 99 -40.707 32.340 1.140 1.00 2.19 H new ATOM 0 HD13 ILE A 99 -41.549 31.006 1.966 1.00 2.19 H new ATOM 1427 N GLY A 100 -37.196 28.736 -0.192 1.00 0.56 N ATOM 1428 CA GLY A 100 -36.794 27.717 -1.204 1.00 0.58 C ATOM 1429 C GLY A 100 -37.562 26.414 -0.965 1.00 0.48 C ATOM 1430 O GLY A 100 -38.668 26.432 -0.464 1.00 0.55 O ATOM 0 H GLY A 100 -37.317 29.681 -0.556 1.00 0.56 H new ATOM 0 HA2 GLY A 100 -36.996 28.090 -2.208 1.00 0.58 H new ATOM 0 HA3 GLY A 100 -35.721 27.534 -1.142 1.00 0.58 H new ATOM 1434 N PRO A 101 -36.951 25.318 -1.342 1.00 0.40 N ATOM 1435 CA PRO A 101 -35.605 25.310 -1.949 1.00 0.36 C ATOM 1436 C PRO A 101 -35.669 25.804 -3.395 1.00 0.39 C ATOM 1437 O PRO A 101 -36.155 25.123 -4.275 1.00 0.67 O ATOM 1438 CB PRO A 101 -35.189 23.837 -1.883 1.00 0.41 C ATOM 1439 CG PRO A 101 -36.496 23.020 -1.765 1.00 0.48 C ATOM 1440 CD PRO A 101 -37.563 23.982 -1.208 1.00 0.45 C ATOM 0 HA PRO A 101 -34.899 25.966 -1.440 1.00 0.36 H new ATOM 0 HB2 PRO A 101 -34.631 23.551 -2.774 1.00 0.41 H new ATOM 0 HB3 PRO A 101 -34.538 23.655 -1.028 1.00 0.41 H new ATOM 0 HG2 PRO A 101 -36.797 22.627 -2.736 1.00 0.48 H new ATOM 0 HG3 PRO A 101 -36.361 22.165 -1.103 1.00 0.48 H new ATOM 0 HD2 PRO A 101 -38.494 23.912 -1.770 1.00 0.45 H new ATOM 0 HD3 PRO A 101 -37.800 23.755 -0.169 1.00 0.45 H new ATOM 1448 N ILE A 102 -35.186 26.991 -3.644 1.00 0.34 N ATOM 1449 CA ILE A 102 -35.223 27.536 -5.028 1.00 0.37 C ATOM 1450 C ILE A 102 -34.019 27.021 -5.820 1.00 0.35 C ATOM 1451 O ILE A 102 -34.091 26.828 -7.017 1.00 0.44 O ATOM 1452 CB ILE A 102 -35.182 29.064 -4.976 1.00 0.48 C ATOM 1453 CG1 ILE A 102 -36.056 29.558 -3.820 1.00 1.24 C ATOM 1454 CG2 ILE A 102 -35.712 29.634 -6.293 1.00 1.23 C ATOM 1455 CD1 ILE A 102 -36.076 31.087 -3.813 1.00 1.50 C ATOM 0 H ILE A 102 -34.767 27.606 -2.947 1.00 0.34 H new ATOM 0 HA ILE A 102 -36.141 27.211 -5.517 1.00 0.37 H new ATOM 0 HB ILE A 102 -34.155 29.395 -4.824 1.00 0.48 H new ATOM 0 HG12 ILE A 102 -37.070 29.171 -3.925 1.00 1.24 H new ATOM 0 HG13 ILE A 102 -35.669 29.184 -2.872 1.00 1.24 H new ATOM 0 HG21 ILE A 102 -35.683 30.723 -6.256 1.00 1.23 H new ATOM 0 HG22 ILE A 102 -35.092 29.282 -7.117 1.00 1.23 H new ATOM 0 HG23 ILE A 102 -36.739 29.304 -6.445 1.00 1.23 H new ATOM 0 HD11 ILE A 102 -36.698 31.439 -2.990 1.00 1.50 H new ATOM 0 HD12 ILE A 102 -35.061 31.464 -3.687 1.00 1.50 H new ATOM 0 HD13 ILE A 102 -36.483 31.450 -4.757 1.00 1.50 H new ATOM 1467 N GLY A 103 -32.908 26.800 -5.170 1.00 0.33 N ATOM 1468 CA GLY A 103 -31.714 26.302 -5.914 1.00 0.34 C ATOM 1469 C GLY A 103 -31.381 24.873 -5.480 1.00 0.32 C ATOM 1470 O GLY A 103 -31.876 24.378 -4.486 1.00 0.36 O ATOM 0 H GLY A 103 -32.775 26.940 -4.168 1.00 0.33 H new ATOM 0 HA2 GLY A 103 -31.907 26.329 -6.986 1.00 0.34 H new ATOM 0 HA3 GLY A 103 -30.861 26.955 -5.727 1.00 0.34 H new ATOM 1474 N TRP A 104 -30.547 24.209 -6.233 1.00 0.34 N ATOM 1475 CA TRP A 104 -30.169 22.807 -5.902 1.00 0.33 C ATOM 1476 C TRP A 104 -28.643 22.715 -5.772 1.00 0.35 C ATOM 1477 O TRP A 104 -27.913 23.173 -6.629 1.00 0.52 O ATOM 1478 CB TRP A 104 -30.647 21.907 -7.044 1.00 0.38 C ATOM 1479 CG TRP A 104 -30.686 20.480 -6.608 1.00 0.30 C ATOM 1480 CD1 TRP A 104 -31.628 19.939 -5.804 1.00 0.39 C ATOM 1481 CD2 TRP A 104 -29.772 19.401 -6.955 1.00 0.34 C ATOM 1482 NE1 TRP A 104 -31.353 18.594 -5.637 1.00 0.45 N ATOM 1483 CE2 TRP A 104 -30.217 18.216 -6.326 1.00 0.45 C ATOM 1484 CE3 TRP A 104 -28.610 19.335 -7.747 1.00 0.44 C ATOM 1485 CZ2 TRP A 104 -29.537 17.009 -6.477 1.00 0.62 C ATOM 1486 CZ3 TRP A 104 -27.922 18.120 -7.901 1.00 0.62 C ATOM 1487 CH2 TRP A 104 -28.386 16.959 -7.267 1.00 0.70 C ATOM 0 H TRP A 104 -30.107 24.584 -7.073 1.00 0.34 H new ATOM 0 HA TRP A 104 -30.625 22.495 -4.962 1.00 0.33 H new ATOM 0 HB2 TRP A 104 -31.639 22.220 -7.370 1.00 0.38 H new ATOM 0 HB3 TRP A 104 -29.981 22.013 -7.901 1.00 0.38 H new ATOM 0 HD1 TRP A 104 -32.459 20.470 -5.364 1.00 0.39 H new ATOM 0 HE1 TRP A 104 -31.919 17.959 -5.074 1.00 0.45 H new ATOM 0 HE3 TRP A 104 -28.245 20.224 -8.239 1.00 0.44 H new ATOM 0 HZ2 TRP A 104 -29.898 16.117 -5.986 1.00 0.62 H new ATOM 0 HZ3 TRP A 104 -27.031 18.080 -8.511 1.00 0.62 H new ATOM 0 HH2 TRP A 104 -27.854 16.027 -7.389 1.00 0.70 H new ATOM 1498 N HIS A 105 -28.149 22.135 -4.710 1.00 0.36 N ATOM 1499 CA HIS A 105 -26.669 22.032 -4.550 1.00 0.36 C ATOM 1500 C HIS A 105 -26.316 20.721 -3.845 1.00 0.49 C ATOM 1501 O HIS A 105 -26.195 20.668 -2.639 1.00 1.30 O ATOM 1502 CB HIS A 105 -26.161 23.212 -3.717 1.00 0.47 C ATOM 1503 CG HIS A 105 -24.689 23.409 -3.959 1.00 0.46 C ATOM 1504 ND1 HIS A 105 -23.838 22.353 -4.244 1.00 0.83 N ATOM 1505 CD2 HIS A 105 -23.903 24.534 -3.957 1.00 0.69 C ATOM 1506 CE1 HIS A 105 -22.601 22.861 -4.399 1.00 0.71 C ATOM 1507 NE2 HIS A 105 -22.585 24.186 -4.235 1.00 0.60 N ATOM 0 H HIS A 105 -28.701 21.732 -3.953 1.00 0.36 H new ATOM 0 HA HIS A 105 -26.199 22.051 -5.533 1.00 0.36 H new ATOM 0 HB2 HIS A 105 -26.707 24.118 -3.981 1.00 0.47 H new ATOM 0 HB3 HIS A 105 -26.344 23.027 -2.658 1.00 0.47 H new ATOM 0 HD2 HIS A 105 -24.254 25.538 -3.768 1.00 0.69 H new ATOM 0 HE1 HIS A 105 -21.728 22.269 -4.628 1.00 0.71 H new ATOM 0 HE2 HIS A 105 -21.780 24.809 -4.300 1.00 0.60 H new ATOM 1515 N CYS A 106 -26.147 19.663 -4.589 1.00 0.69 N ATOM 1516 CA CYS A 106 -25.799 18.358 -3.959 1.00 0.74 C ATOM 1517 C CYS A 106 -24.361 18.411 -3.438 1.00 0.68 C ATOM 1518 O CYS A 106 -23.640 19.360 -3.675 1.00 0.68 O ATOM 1519 CB CYS A 106 -25.924 17.240 -4.996 1.00 0.96 C ATOM 1520 SG CYS A 106 -24.698 17.491 -6.304 1.00 2.07 S ATOM 0 H CYS A 106 -26.235 19.645 -5.605 1.00 0.69 H new ATOM 0 HA CYS A 106 -26.480 18.162 -3.130 1.00 0.74 H new ATOM 0 HB2 CYS A 106 -25.772 16.271 -4.521 1.00 0.96 H new ATOM 0 HB3 CYS A 106 -26.928 17.233 -5.420 1.00 0.96 H new ATOM 0 HG CYS A 106 -25.302 17.813 -7.409 1.00 2.07 H new ATOM 1526 N LEU A 107 -23.938 17.401 -2.728 1.00 0.70 N ATOM 1527 CA LEU A 107 -22.546 17.396 -2.194 1.00 0.73 C ATOM 1528 C LEU A 107 -21.610 16.743 -3.212 1.00 0.83 C ATOM 1529 O LEU A 107 -20.403 16.811 -3.093 1.00 1.00 O ATOM 1530 CB LEU A 107 -22.504 16.607 -0.884 1.00 0.77 C ATOM 1531 CG LEU A 107 -23.765 16.899 -0.069 1.00 1.19 C ATOM 1532 CD1 LEU A 107 -23.726 16.104 1.237 1.00 2.18 C ATOM 1533 CD2 LEU A 107 -23.831 18.395 0.249 1.00 1.77 C ATOM 0 H LEU A 107 -24.496 16.579 -2.495 1.00 0.70 H new ATOM 0 HA LEU A 107 -22.225 18.421 -2.011 1.00 0.73 H new ATOM 0 HB2 LEU A 107 -22.433 15.540 -1.093 1.00 0.77 H new ATOM 0 HB3 LEU A 107 -21.617 16.880 -0.312 1.00 0.77 H new ATOM 0 HG LEU A 107 -24.644 16.609 -0.645 1.00 1.19 H new ATOM 0 HD11 LEU A 107 -24.625 16.313 1.817 1.00 2.18 H new ATOM 0 HD12 LEU A 107 -23.678 15.038 1.013 1.00 2.18 H new ATOM 0 HD13 LEU A 107 -22.847 16.394 1.813 1.00 2.18 H new ATOM 0 HD21 LEU A 107 -24.729 18.604 0.830 1.00 1.77 H new ATOM 0 HD22 LEU A 107 -22.951 18.684 0.824 1.00 1.77 H new ATOM 0 HD23 LEU A 107 -23.859 18.964 -0.680 1.00 1.77 H new ATOM 1545 N ASP A 108 -22.156 16.108 -4.213 1.00 0.88 N ATOM 1546 CA ASP A 108 -21.296 15.450 -5.236 1.00 1.01 C ATOM 1547 C ASP A 108 -20.475 16.509 -5.973 1.00 0.90 C ATOM 1548 O ASP A 108 -19.347 16.276 -6.358 1.00 1.06 O ATOM 1549 CB ASP A 108 -22.178 14.700 -6.237 1.00 1.22 C ATOM 1550 CG ASP A 108 -21.690 13.256 -6.366 1.00 1.69 C ATOM 1551 OD1 ASP A 108 -20.987 12.807 -5.476 1.00 2.23 O ATOM 1552 OD2 ASP A 108 -22.029 12.623 -7.352 1.00 2.20 O ATOM 0 H ASP A 108 -23.160 16.017 -4.366 1.00 0.88 H new ATOM 0 HA ASP A 108 -20.623 14.747 -4.746 1.00 1.01 H new ATOM 0 HB2 ASP A 108 -23.216 14.716 -5.906 1.00 1.22 H new ATOM 0 HB3 ASP A 108 -22.145 15.194 -7.208 1.00 1.22 H new ATOM 1557 N ASP A 109 -21.031 17.673 -6.173 1.00 0.80 N ATOM 1558 CA ASP A 109 -20.280 18.745 -6.885 1.00 0.82 C ATOM 1559 C ASP A 109 -20.279 20.018 -6.036 1.00 0.67 C ATOM 1560 O ASP A 109 -21.255 20.740 -5.982 1.00 0.67 O ATOM 1561 CB ASP A 109 -20.952 19.031 -8.228 1.00 1.08 C ATOM 1562 CG ASP A 109 -20.119 18.420 -9.357 1.00 1.52 C ATOM 1563 OD1 ASP A 109 -20.251 17.229 -9.586 1.00 1.86 O ATOM 1564 OD2 ASP A 109 -19.364 19.154 -9.974 1.00 2.21 O ATOM 0 H ASP A 109 -21.972 17.927 -5.874 1.00 0.80 H new ATOM 0 HA ASP A 109 -19.254 18.419 -7.053 1.00 0.82 H new ATOM 0 HB2 ASP A 109 -21.959 18.614 -8.239 1.00 1.08 H new ATOM 0 HB3 ASP A 109 -21.050 20.106 -8.376 1.00 1.08 H new ATOM 1569 N LYS A 110 -19.193 20.295 -5.368 1.00 0.76 N ATOM 1570 CA LYS A 110 -19.126 21.510 -4.518 1.00 0.80 C ATOM 1571 C LYS A 110 -19.120 22.767 -5.394 1.00 0.74 C ATOM 1572 O LYS A 110 -19.149 23.876 -4.898 1.00 0.91 O ATOM 1573 CB LYS A 110 -17.847 21.472 -3.679 1.00 1.04 C ATOM 1574 CG LYS A 110 -18.138 20.813 -2.329 1.00 1.64 C ATOM 1575 CD LYS A 110 -16.840 20.257 -1.741 1.00 2.00 C ATOM 1576 CE LYS A 110 -16.244 21.273 -0.765 1.00 2.81 C ATOM 1577 NZ LYS A 110 -14.827 21.547 -1.137 1.00 3.34 N ATOM 0 H LYS A 110 -18.346 19.727 -5.377 1.00 0.76 H new ATOM 0 HA LYS A 110 -19.998 21.535 -3.864 1.00 0.80 H new ATOM 0 HB2 LYS A 110 -17.071 20.917 -4.206 1.00 1.04 H new ATOM 0 HB3 LYS A 110 -17.469 22.483 -3.528 1.00 1.04 H new ATOM 0 HG2 LYS A 110 -18.577 21.539 -1.645 1.00 1.64 H new ATOM 0 HG3 LYS A 110 -18.866 20.011 -2.453 1.00 1.64 H new ATOM 0 HD2 LYS A 110 -17.035 19.315 -1.228 1.00 2.00 H new ATOM 0 HD3 LYS A 110 -16.129 20.044 -2.539 1.00 2.00 H new ATOM 0 HE2 LYS A 110 -16.822 22.197 -0.787 1.00 2.81 H new ATOM 0 HE3 LYS A 110 -16.296 20.889 0.254 1.00 2.81 H new ATOM 0 HZ1 LYS A 110 -14.421 22.238 -0.474 1.00 3.34 H new ATOM 0 HZ2 LYS A 110 -14.280 20.664 -1.095 1.00 3.34 H new ATOM 0 HZ3 LYS A 110 -14.790 21.931 -2.103 1.00 3.34 H new ATOM 1591 N ASN A 111 -19.074 22.610 -6.689 1.00 0.64 N ATOM 1592 CA ASN A 111 -19.057 23.805 -7.581 1.00 0.64 C ATOM 1593 C ASN A 111 -20.264 23.774 -8.522 1.00 0.59 C ATOM 1594 O ASN A 111 -20.425 24.636 -9.363 1.00 0.97 O ATOM 1595 CB ASN A 111 -17.769 23.803 -8.407 1.00 0.69 C ATOM 1596 CG ASN A 111 -17.763 25.010 -9.347 1.00 0.78 C ATOM 1597 OD1 ASN A 111 -18.396 26.010 -9.075 1.00 1.34 O ATOM 1598 ND2 ASN A 111 -17.069 24.958 -10.451 1.00 1.26 N ATOM 0 H ASN A 111 -19.048 21.709 -7.167 1.00 0.64 H new ATOM 0 HA ASN A 111 -19.103 24.707 -6.971 1.00 0.64 H new ATOM 0 HB2 ASN A 111 -16.902 23.838 -7.748 1.00 0.69 H new ATOM 0 HB3 ASN A 111 -17.695 22.880 -8.982 1.00 0.69 H new ATOM 0 HD21 ASN A 111 -17.058 25.757 -11.085 1.00 1.26 H new ATOM 0 HD22 ASN A 111 -16.537 24.118 -10.680 1.00 1.26 H new ATOM 1605 N SER A 112 -21.115 22.794 -8.392 1.00 0.40 N ATOM 1606 CA SER A 112 -22.306 22.724 -9.287 1.00 0.35 C ATOM 1607 C SER A 112 -23.479 23.456 -8.634 1.00 0.35 C ATOM 1608 O SER A 112 -24.290 22.862 -7.951 1.00 0.43 O ATOM 1609 CB SER A 112 -22.688 21.263 -9.526 1.00 0.40 C ATOM 1610 OG SER A 112 -21.672 20.632 -10.296 1.00 0.57 O ATOM 0 H SER A 112 -21.039 22.041 -7.708 1.00 0.40 H new ATOM 0 HA SER A 112 -22.067 23.195 -10.241 1.00 0.35 H new ATOM 0 HB2 SER A 112 -22.812 20.747 -8.574 1.00 0.40 H new ATOM 0 HB3 SER A 112 -23.644 21.205 -10.047 1.00 0.40 H new ATOM 0 HG SER A 112 -22.015 19.791 -10.665 1.00 0.57 H new ATOM 1616 N PHE A 113 -23.581 24.740 -8.842 1.00 0.32 N ATOM 1617 CA PHE A 113 -24.707 25.505 -8.237 1.00 0.35 C ATOM 1618 C PHE A 113 -25.911 25.435 -9.176 1.00 0.32 C ATOM 1619 O PHE A 113 -25.776 25.554 -10.373 1.00 0.35 O ATOM 1620 CB PHE A 113 -24.280 26.961 -8.047 1.00 0.40 C ATOM 1621 CG PHE A 113 -23.116 27.008 -7.089 1.00 0.41 C ATOM 1622 CD1 PHE A 113 -23.321 26.726 -5.736 1.00 1.24 C ATOM 1623 CD2 PHE A 113 -21.834 27.325 -7.554 1.00 1.01 C ATOM 1624 CE1 PHE A 113 -22.245 26.764 -4.842 1.00 1.39 C ATOM 1625 CE2 PHE A 113 -20.757 27.362 -6.660 1.00 0.99 C ATOM 1626 CZ PHE A 113 -20.963 27.082 -5.304 1.00 0.72 C ATOM 0 H PHE A 113 -22.933 25.292 -9.405 1.00 0.32 H new ATOM 0 HA PHE A 113 -24.974 25.081 -7.269 1.00 0.35 H new ATOM 0 HB2 PHE A 113 -23.998 27.399 -9.004 1.00 0.40 H new ATOM 0 HB3 PHE A 113 -25.111 27.550 -7.659 1.00 0.40 H new ATOM 0 HD1 PHE A 113 -24.310 26.479 -5.380 1.00 1.24 H new ATOM 0 HD2 PHE A 113 -21.676 27.541 -8.600 1.00 1.01 H new ATOM 0 HE1 PHE A 113 -22.404 26.548 -3.796 1.00 1.39 H new ATOM 0 HE2 PHE A 113 -19.767 27.607 -7.017 1.00 0.99 H new ATOM 0 HZ PHE A 113 -20.132 27.111 -4.614 1.00 0.72 H new ATOM 1636 N TYR A 114 -27.087 25.225 -8.652 1.00 0.37 N ATOM 1637 CA TYR A 114 -28.280 25.134 -9.543 1.00 0.38 C ATOM 1638 C TYR A 114 -29.340 26.152 -9.121 1.00 0.41 C ATOM 1639 O TYR A 114 -29.571 26.379 -7.951 1.00 0.78 O ATOM 1640 CB TYR A 114 -28.888 23.734 -9.438 1.00 0.39 C ATOM 1641 CG TYR A 114 -28.012 22.733 -10.149 1.00 0.36 C ATOM 1642 CD1 TYR A 114 -28.129 22.559 -11.533 1.00 1.14 C ATOM 1643 CD2 TYR A 114 -27.089 21.973 -9.424 1.00 1.25 C ATOM 1644 CE1 TYR A 114 -27.323 21.626 -12.191 1.00 1.13 C ATOM 1645 CE2 TYR A 114 -26.282 21.038 -10.081 1.00 1.26 C ATOM 1646 CZ TYR A 114 -26.398 20.864 -11.466 1.00 0.36 C ATOM 1647 OH TYR A 114 -25.602 19.942 -12.115 1.00 0.39 O ATOM 0 H TYR A 114 -27.274 25.113 -7.656 1.00 0.37 H new ATOM 0 HA TYR A 114 -27.964 25.339 -10.566 1.00 0.38 H new ATOM 0 HB2 TYR A 114 -28.997 23.454 -8.390 1.00 0.39 H new ATOM 0 HB3 TYR A 114 -29.887 23.729 -9.874 1.00 0.39 H new ATOM 0 HD1 TYR A 114 -28.842 23.146 -12.092 1.00 1.14 H new ATOM 0 HD2 TYR A 114 -26.999 22.108 -8.356 1.00 1.25 H new ATOM 0 HE1 TYR A 114 -27.413 21.492 -13.259 1.00 1.13 H new ATOM 0 HE2 TYR A 114 -25.570 20.451 -9.521 1.00 1.26 H new ATOM 0 HH TYR A 114 -25.016 19.501 -11.465 1.00 0.39 H new ATOM 1657 N VAL A 115 -30.008 26.744 -10.070 1.00 0.26 N ATOM 1658 CA VAL A 115 -31.083 27.717 -9.729 1.00 0.26 C ATOM 1659 C VAL A 115 -32.369 27.260 -10.419 1.00 0.27 C ATOM 1660 O VAL A 115 -32.646 27.635 -11.539 1.00 0.28 O ATOM 1661 CB VAL A 115 -30.705 29.120 -10.210 1.00 0.28 C ATOM 1662 CG1 VAL A 115 -31.293 30.152 -9.249 1.00 0.32 C ATOM 1663 CG2 VAL A 115 -29.181 29.265 -10.237 1.00 0.29 C ATOM 0 H VAL A 115 -29.856 26.596 -11.068 1.00 0.26 H new ATOM 0 HA VAL A 115 -31.222 27.755 -8.649 1.00 0.26 H new ATOM 0 HB VAL A 115 -31.099 29.279 -11.214 1.00 0.28 H new ATOM 0 HG11 VAL A 115 -31.028 31.154 -9.585 1.00 0.32 H new ATOM 0 HG12 VAL A 115 -32.378 30.052 -9.227 1.00 0.32 H new ATOM 0 HG13 VAL A 115 -30.893 29.987 -8.249 1.00 0.32 H new ATOM 0 HG21 VAL A 115 -28.917 30.265 -10.580 1.00 0.29 H new ATOM 0 HG22 VAL A 115 -28.783 29.108 -9.235 1.00 0.29 H new ATOM 0 HG23 VAL A 115 -28.757 28.525 -10.916 1.00 0.29 H new ATOM 1673 N ALA A 116 -33.138 26.428 -9.759 1.00 0.27 N ATOM 1674 CA ALA A 116 -34.401 25.902 -10.368 1.00 0.29 C ATOM 1675 C ALA A 116 -35.041 26.955 -11.274 1.00 0.33 C ATOM 1676 O ALA A 116 -35.506 27.984 -10.827 1.00 0.38 O ATOM 1677 CB ALA A 116 -35.380 25.504 -9.264 1.00 0.32 C ATOM 0 H ALA A 116 -32.943 26.088 -8.817 1.00 0.27 H new ATOM 0 HA ALA A 116 -34.159 25.027 -10.971 1.00 0.29 H new ATOM 0 HB1 ALA A 116 -36.297 25.122 -9.712 1.00 0.32 H new ATOM 0 HB2 ALA A 116 -34.931 24.731 -8.641 1.00 0.32 H new ATOM 0 HB3 ALA A 116 -35.611 26.375 -8.651 1.00 0.32 H new ATOM 1683 N LEU A 117 -35.057 26.693 -12.553 1.00 0.37 N ATOM 1684 CA LEU A 117 -35.651 27.657 -13.522 1.00 0.47 C ATOM 1685 C LEU A 117 -37.065 28.054 -13.079 1.00 0.47 C ATOM 1686 O LEU A 117 -37.298 29.152 -12.616 1.00 0.59 O ATOM 1687 CB LEU A 117 -35.739 26.984 -14.900 1.00 0.48 C ATOM 1688 CG LEU A 117 -34.410 27.050 -15.684 1.00 0.69 C ATOM 1689 CD1 LEU A 117 -34.611 27.886 -16.948 1.00 1.47 C ATOM 1690 CD2 LEU A 117 -33.287 27.676 -14.853 1.00 1.03 C ATOM 0 H LEU A 117 -34.680 25.843 -12.972 1.00 0.37 H new ATOM 0 HA LEU A 117 -35.025 28.548 -13.567 1.00 0.47 H new ATOM 0 HB2 LEU A 117 -36.029 25.941 -14.772 1.00 0.48 H new ATOM 0 HB3 LEU A 117 -36.524 27.464 -15.484 1.00 0.48 H new ATOM 0 HG LEU A 117 -34.121 26.029 -15.934 1.00 0.69 H new ATOM 0 HD11 LEU A 117 -33.675 27.935 -17.504 1.00 1.47 H new ATOM 0 HD12 LEU A 117 -35.379 27.426 -17.570 1.00 1.47 H new ATOM 0 HD13 LEU A 117 -34.922 28.894 -16.672 1.00 1.47 H new ATOM 0 HD21 LEU A 117 -32.370 27.703 -15.442 1.00 1.03 H new ATOM 0 HD22 LEU A 117 -33.566 28.691 -14.570 1.00 1.03 H new ATOM 0 HD23 LEU A 117 -33.124 27.080 -13.955 1.00 1.03 H new ATOM 1702 N GLU A 118 -38.013 27.172 -13.250 1.00 0.54 N ATOM 1703 CA GLU A 118 -39.424 27.482 -12.880 1.00 0.66 C ATOM 1704 C GLU A 118 -39.527 27.965 -11.428 1.00 0.59 C ATOM 1705 O GLU A 118 -40.535 28.511 -11.025 1.00 0.69 O ATOM 1706 CB GLU A 118 -40.277 26.223 -13.052 1.00 0.83 C ATOM 1707 CG GLU A 118 -41.340 26.469 -14.125 1.00 1.28 C ATOM 1708 CD GLU A 118 -42.342 25.313 -14.127 1.00 1.82 C ATOM 1709 OE1 GLU A 118 -42.955 25.085 -13.097 1.00 2.41 O ATOM 1710 OE2 GLU A 118 -42.479 24.676 -15.158 1.00 2.44 O ATOM 0 H GLU A 118 -37.868 26.239 -13.635 1.00 0.54 H new ATOM 0 HA GLU A 118 -39.782 28.278 -13.532 1.00 0.66 H new ATOM 0 HB2 GLU A 118 -39.647 25.380 -13.336 1.00 0.83 H new ATOM 0 HB3 GLU A 118 -40.753 25.961 -12.107 1.00 0.83 H new ATOM 0 HG2 GLU A 118 -41.855 27.410 -13.932 1.00 1.28 H new ATOM 0 HG3 GLU A 118 -40.869 26.558 -15.104 1.00 1.28 H new ATOM 1717 N ARG A 119 -38.512 27.769 -10.634 1.00 0.49 N ATOM 1718 CA ARG A 119 -38.593 28.221 -9.215 1.00 0.51 C ATOM 1719 C ARG A 119 -38.061 29.649 -9.100 1.00 0.41 C ATOM 1720 O ARG A 119 -37.668 30.092 -8.039 1.00 0.43 O ATOM 1721 CB ARG A 119 -37.762 27.291 -8.329 1.00 0.67 C ATOM 1722 CG ARG A 119 -38.479 27.087 -6.993 1.00 0.99 C ATOM 1723 CD ARG A 119 -38.758 25.597 -6.786 1.00 0.88 C ATOM 1724 NE ARG A 119 -40.211 25.331 -6.986 1.00 1.21 N ATOM 1725 CZ ARG A 119 -41.045 25.483 -5.993 1.00 1.51 C ATOM 1726 NH1 ARG A 119 -40.904 24.772 -4.908 1.00 2.06 N ATOM 1727 NH2 ARG A 119 -42.020 26.346 -6.086 1.00 2.21 N ATOM 0 H ARG A 119 -37.636 27.319 -10.902 1.00 0.49 H new ATOM 0 HA ARG A 119 -39.633 28.195 -8.888 1.00 0.51 H new ATOM 0 HB2 ARG A 119 -37.616 26.332 -8.826 1.00 0.67 H new ATOM 0 HB3 ARG A 119 -36.773 27.718 -8.162 1.00 0.67 H new ATOM 0 HG2 ARG A 119 -37.866 27.470 -6.177 1.00 0.99 H new ATOM 0 HG3 ARG A 119 -39.413 27.648 -6.980 1.00 0.99 H new ATOM 0 HD2 ARG A 119 -38.169 25.005 -7.487 1.00 0.88 H new ATOM 0 HD3 ARG A 119 -38.457 25.296 -5.783 1.00 0.88 H new ATOM 0 HE ARG A 119 -40.554 25.030 -7.898 1.00 1.21 H new ATOM 0 HH11 ARG A 119 -40.142 24.098 -4.836 1.00 2.06 H new ATOM 0 HH12 ARG A 119 -41.555 24.891 -4.132 1.00 2.06 H new ATOM 0 HH21 ARG A 119 -42.130 26.901 -6.934 1.00 2.21 H new ATOM 0 HH22 ARG A 119 -42.672 26.465 -5.310 1.00 2.21 H new ATOM 1741 N VAL A 120 -38.048 30.374 -10.182 1.00 0.37 N ATOM 1742 CA VAL A 120 -37.543 31.776 -10.131 1.00 0.33 C ATOM 1743 C VAL A 120 -38.190 32.600 -11.246 1.00 0.34 C ATOM 1744 O VAL A 120 -38.812 32.071 -12.145 1.00 0.50 O ATOM 1745 CB VAL A 120 -36.025 31.776 -10.313 1.00 0.37 C ATOM 1746 CG1 VAL A 120 -35.367 31.068 -9.127 1.00 0.54 C ATOM 1747 CG2 VAL A 120 -35.669 31.040 -11.606 1.00 0.49 C ATOM 0 H VAL A 120 -38.364 30.059 -11.099 1.00 0.37 H new ATOM 0 HA VAL A 120 -37.796 32.215 -9.166 1.00 0.33 H new ATOM 0 HB VAL A 120 -35.666 32.804 -10.366 1.00 0.37 H new ATOM 0 HG11 VAL A 120 -34.285 31.069 -9.258 1.00 0.54 H new ATOM 0 HG12 VAL A 120 -35.621 31.590 -8.205 1.00 0.54 H new ATOM 0 HG13 VAL A 120 -35.725 30.040 -9.072 1.00 0.54 H new ATOM 0 HG21 VAL A 120 -34.587 31.039 -11.738 1.00 0.49 H new ATOM 0 HG22 VAL A 120 -36.029 30.013 -11.551 1.00 0.49 H new ATOM 0 HG23 VAL A 120 -36.137 31.543 -12.452 1.00 0.49 H new ATOM 1757 N SER A 121 -38.042 33.896 -11.193 1.00 0.39 N ATOM 1758 CA SER A 121 -38.641 34.763 -12.246 1.00 0.41 C ATOM 1759 C SER A 121 -37.607 35.007 -13.346 1.00 0.40 C ATOM 1760 O SER A 121 -36.441 34.708 -13.188 1.00 0.39 O ATOM 1761 CB SER A 121 -39.049 36.103 -11.631 1.00 0.46 C ATOM 1762 OG SER A 121 -39.555 36.954 -12.652 1.00 0.94 O ATOM 0 H SER A 121 -37.530 34.392 -10.463 1.00 0.39 H new ATOM 0 HA SER A 121 -39.519 34.273 -12.667 1.00 0.41 H new ATOM 0 HB2 SER A 121 -39.806 35.948 -10.862 1.00 0.46 H new ATOM 0 HB3 SER A 121 -38.192 36.569 -11.145 1.00 0.46 H new ATOM 0 HG SER A 121 -39.819 37.813 -12.261 1.00 0.94 H new ATOM 1768 N HIS A 122 -38.020 35.552 -14.458 1.00 0.44 N ATOM 1769 CA HIS A 122 -37.053 35.815 -15.562 1.00 0.47 C ATOM 1770 C HIS A 122 -37.582 36.946 -16.446 1.00 0.52 C ATOM 1771 O HIS A 122 -38.596 36.811 -17.101 1.00 0.67 O ATOM 1772 CB HIS A 122 -36.876 34.549 -16.402 1.00 0.54 C ATOM 1773 CG HIS A 122 -36.216 33.486 -15.569 1.00 0.50 C ATOM 1774 ND1 HIS A 122 -36.813 32.259 -15.329 1.00 0.49 N ATOM 1775 CD2 HIS A 122 -35.015 33.456 -14.903 1.00 0.65 C ATOM 1776 CE1 HIS A 122 -35.979 31.549 -14.547 1.00 0.57 C ATOM 1777 NE2 HIS A 122 -34.870 32.233 -14.257 1.00 0.71 N ATOM 0 H HIS A 122 -38.984 35.826 -14.650 1.00 0.44 H new ATOM 0 HA HIS A 122 -36.091 36.105 -15.139 1.00 0.47 H new ATOM 0 HB2 HIS A 122 -37.844 34.198 -16.759 1.00 0.54 H new ATOM 0 HB3 HIS A 122 -36.271 34.765 -17.282 1.00 0.54 H new ATOM 0 HD1 HIS A 122 -37.719 31.950 -15.681 1.00 0.49 H new ATOM 0 HD2 HIS A 122 -34.294 34.259 -14.884 1.00 0.65 H new ATOM 0 HE1 HIS A 122 -36.182 30.548 -14.197 1.00 0.57 H new ATOM 1785 N GLU A 123 -36.904 38.061 -16.469 1.00 0.49 N ATOM 1786 CA GLU A 123 -37.369 39.199 -17.310 1.00 0.56 C ATOM 1787 C GLU A 123 -36.216 39.689 -18.189 1.00 0.81 C ATOM 1788 O GLU A 123 -35.163 39.979 -17.644 1.00 1.55 O ATOM 1789 CB GLU A 123 -37.842 40.341 -16.407 1.00 0.80 C ATOM 1790 CG GLU A 123 -39.350 40.220 -16.179 1.00 1.55 C ATOM 1791 CD GLU A 123 -39.945 41.610 -15.945 1.00 2.10 C ATOM 1792 OE1 GLU A 123 -39.545 42.250 -14.986 1.00 2.65 O ATOM 1793 OE2 GLU A 123 -40.790 42.011 -16.728 1.00 2.63 O ATOM 1794 OXT GLU A 123 -36.405 39.766 -19.392 1.00 1.35 O ATOM 0 H GLU A 123 -36.048 38.233 -15.941 1.00 0.49 H new ATOM 0 HA GLU A 123 -38.194 38.870 -17.942 1.00 0.56 H new ATOM 0 HB2 GLU A 123 -37.315 40.307 -15.453 1.00 0.80 H new ATOM 0 HB3 GLU A 123 -37.609 41.302 -16.866 1.00 0.80 H new ATOM 0 HG2 GLU A 123 -39.822 39.751 -17.042 1.00 1.55 H new ATOM 0 HG3 GLU A 123 -39.548 39.579 -15.320 1.00 1.55 H new TER 1801 GLU A 123 HETATM 1802 ZN ZN A 124 -35.883 36.066 -2.409 1.00 0.40 ZN CONECT 228 1802 CONECT 279 1802 CONECT 1356 1802 CONECT 1388 1802 CONECT 1802 228 279 1356 1388 END