USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 hydrogens (10 hets) HEADER MAMMALIAN PCB-BINDING PROTEIN 01-SEP-95 1UTR TITLE UTEROGLOBIN-PCB COMPLEX (REDUCED FORM) COMPND MOL_ID: 1; COMPND 2 MOLECULE: UTEROGLOBIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: MAMMALIAN PCB-BINDING PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: TEMPERATURE=30C, PH=7.8, 25 MM PHOSPHATE COMPND 7 BUFFER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 ORGAN: LUNG; SOURCE 6 GENE: POTENTIAL; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS UTEROGLOBIN, CLARA CELL 17 KDA PROTEIN (CC10), KEYWDS 2 PHOSPHOLIPASE A2 INHIBITOR, CLARA CELL PHOSPHOLIPID-BINDING KEYWDS 3 PROTEIN, PROGESTERONE BINDING, MAMMALIAN PCB-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR T.HARD,H.J.BARNES,C.LARSSON,J.-A.GUSTAFSSON,J.LUND REVDAT 2 24-FEB-09 1UTR 1 VERSN REVDAT 1 07-DEC-95 1UTR 0 JRNL AUTH T.HARD,H.J.BARNES,C.LARSSON,J.A.GUSTAFSSON,J.LUND JRNL TITL SOLUTION STRUCTURE OF A MAMMALIAN PCB-BINDING JRNL TITL 2 PROTEIN IN COMPLEX WITH A PCB. JRNL REF NAT.STRUCT.BIOL. V. 2 983 1995 JRNL REFN ISSN 1072-8368 JRNL PMID 7583672 JRNL DOI 10.1038/NSB1195-983 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.DUNKEL,G.VRIEND,M.BEATO,G.SUSKE REMARK 1 TITL PROGESTERONE BINDING TO UTEROGLOBIN: TWO REMARK 1 TITL 2 ALTERNATIVE CONFORMATIONS OF THE LIGAND REMARK 1 REF PROTEIN ENG. V. 8 71 1995 REMARK 1 REFN ISSN 0269-2139 REMARK 1 REFERENCE 2 REMARK 1 AUTH O.ANDERSSON,L.NORDLUND-MOELLER,H.J.BARNES,J.LUND REMARK 1 TITL HETEROLOGOUS EXPRESSION OF HUMAN UTEROGLOBIN REMARK 1 TITL 2 (SLASH) POLYCHLORINATED BIPHENYL-BINDING PROTEIN REMARK 1 REF J.BIOL.CHEM. V. 269 19081 1994 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 3 REMARK 1 AUTH L.NORDLUND-MOELLER,O.ANDERSSON,R.AHLGREN, REMARK 1 AUTH 2 J.SCHILLING,M.GILLNER,J.-A.GUSTAFSSON,J.LUND REMARK 1 TITL CLONING, STRUCTURE, AND EXPRESSION OF A RAT REMARK 1 TITL 2 BINDING PROTEIN FOR POLYCHLORINATED BIPHENYLS REMARK 1 REF J.MOL.BIOL. V. 224 442 1992 REMARK 1 REFN ISSN 0022-2836 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: NULL REMARK 4 REMARK 4 1UTR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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 -18 REMARK 465 LYS A -17 REMARK 465 ILE A -16 REMARK 465 ALA A -15 REMARK 465 ILE A -14 REMARK 465 THR A -13 REMARK 465 ILE A -12 REMARK 465 THR A -11 REMARK 465 VAL A -10 REMARK 465 LEU A -9 REMARK 465 MET A -8 REMARK 465 LEU A -7 REMARK 465 SER A -6 REMARK 465 ILE A -5 REMARK 465 CYS A -4 REMARK 465 CYS A -3 REMARK 465 SER A -2 REMARK 465 SER A -1 REMARK 465 ALA A 0 REMARK 465 SER A 1 REMARK 465 SER A 2 REMARK 465 ASP A 3 REMARK 465 GLU A 72 REMARK 465 GLN A 73 REMARK 465 ASP A 74 REMARK 465 LEU A 75 REMARK 465 ARG A 76 REMARK 465 VAL A 77 REMARK 465 MET B -18 REMARK 465 LYS B -17 REMARK 465 ILE B -16 REMARK 465 ALA B -15 REMARK 465 ILE B -14 REMARK 465 THR B -13 REMARK 465 ILE B -12 REMARK 465 THR B -11 REMARK 465 VAL B -10 REMARK 465 LEU B -9 REMARK 465 MET B -8 REMARK 465 LEU B -7 REMARK 465 SER B -6 REMARK 465 ILE B -5 REMARK 465 CYS B -4 REMARK 465 CYS B -3 REMARK 465 SER B -2 REMARK 465 SER B -1 REMARK 465 ALA B 0 REMARK 465 SER B 1 REMARK 465 SER B 2 REMARK 465 ASP B 3 REMARK 465 GLU B 72 REMARK 465 GLN B 73 REMARK 465 ASP B 74 REMARK 465 LEU B 75 REMARK 465 ARG B 76 REMARK 465 VAL B 77 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 PHE A 8 -26.67 168.19 REMARK 500 GLU A 20 157.55 173.84 REMARK 500 SER A 21 -45.10 84.28 REMARK 500 ALA A 33 179.83 -49.38 REMARK 500 SER A 34 -90.94 -60.55 REMARK 500 PRO A 51 -165.42 -58.70 REMARK 500 LEU A 66 -71.95 -90.49 REMARK 500 PRO A 69 -160.07 -60.21 REMARK 500 LEU A 70 -168.55 60.64 REMARK 500 PHE B 8 -26.74 168.18 REMARK 500 GLU B 20 157.57 173.84 REMARK 500 SER B 21 -44.94 84.28 REMARK 500 ALA B 33 179.77 -49.37 REMARK 500 SER B 34 -90.89 -60.56 REMARK 500 PRO B 51 -165.50 -58.72 REMARK 500 LEU B 66 -71.91 -90.49 REMARK 500 PRO B 69 -160.05 -60.27 REMARK 500 LEU B 70 -168.59 60.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PCB A 78 DBREF 1UTR A -18 77 UNP P17559 UTER_RAT 1 96 DBREF 1UTR B -18 77 UNP P17559 UTER_RAT 1 96 SEQRES 1 A 96 MET LYS ILE ALA ILE THR ILE THR VAL LEU MET LEU SER SEQRES 2 A 96 ILE CYS CYS SER SER ALA SER SER ASP ILE CYS PRO GLY SEQRES 3 A 96 PHE LEU GLN VAL LEU GLU ALA LEU LEU LEU GLY SER GLU SEQRES 4 A 96 SER ASN TYR GLU ALA ALA LEU LYS PRO PHE ASN PRO ALA SEQRES 5 A 96 SER ASP LEU GLN ASN ALA GLY THR GLN LEU LYS ARG LEU SEQRES 6 A 96 VAL ASP THR LEU PRO GLN GLU THR ARG ILE ASN ILE VAL SEQRES 7 A 96 LYS LEU THR GLU LYS ILE LEU THR SER PRO LEU CYS GLU SEQRES 8 A 96 GLN ASP LEU ARG VAL SEQRES 1 B 96 MET LYS ILE ALA ILE THR ILE THR VAL LEU MET LEU SER SEQRES 2 B 96 ILE CYS CYS SER SER ALA SER SER ASP ILE CYS PRO GLY SEQRES 3 B 96 PHE LEU GLN VAL LEU GLU ALA LEU LEU LEU GLY SER GLU SEQRES 4 B 96 SER ASN TYR GLU ALA ALA LEU LYS PRO PHE ASN PRO ALA SEQRES 5 B 96 SER ASP LEU GLN ASN ALA GLY THR GLN LEU LYS ARG LEU SEQRES 6 B 96 VAL ASP THR LEU PRO GLN GLU THR ARG ILE ASN ILE VAL SEQRES 7 B 96 LYS LEU THR GLU LYS ILE LEU THR SER PRO LEU CYS GLU SEQRES 8 B 96 GLN ASP LEU ARG VAL HET PCB A 78 34 HETNAM PCB 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'- HETNAM 2 PCB TETRACHLOROBIPHENYL FORMUL 3 PCB C14 H10 CL4 O4 S2 HELIX 1 1 LEU A 9 LEU A 15 1 7 HELIX 2 2 ASN A 22 LYS A 28 1 7 HELIX 3 3 ASP A 35 THR A 49 1 15 HELIX 4 4 GLU A 53 ILE A 65 1 13 HELIX 5 5 LEU B 9 LEU B 15 1 7 HELIX 6 6 ASN B 22 LYS B 28 1 7 HELIX 7 7 ASP B 35 THR B 49 1 15 HELIX 8 8 GLU B 53 ILE B 65 1 13 SITE *** AC1 17 PHE A 8 VAL A 11 LEU A 15 TYR A 23 SITE *** AC1 17 GLY A 40 LEU A 43 ILE A 58 LEU A 61 SITE *** AC1 17 THR A 62 PHE B 8 VAL B 11 TYR B 23 SITE *** AC1 17 GLY B 40 LEU B 43 ILE B 58 LEU B 61 SITE *** AC1 17 THR B 62 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 PCB CM' :methyl -147:sc= -13! (180deg=-12.1!) USER MOD Set 1.2: B 62 THR OG1 : rot 101:sc= -3.58! USER MOD Set 2.1: A 62 THR OG1 : rot 99:sc= -3.58! USER MOD Set 2.2: A 78 PCB CM :methyl -152:sc= -13.3! (180deg=-12.3!) USER MOD Set 3.1: A 57 ASN : amide:sc= -12! C(o=-27!,f=-33!) USER MOD Set 3.2: B 38 ASN : amide:sc= -14.3! C(o=-27!,f=-35!) USER MOD Set 3.3: B 42 GLN : amide:sc= -0.473 K(o=-27,f=-31!) USER MOD Set 4.1: A 38 ASN : amide:sc= -14.7! C(o=-27!,f=-35!) USER MOD Set 4.2: A 42 GLN : amide:sc= -0.532 K(o=-27,f=-31!) USER MOD Set 4.3: B 57 ASN : amide:sc= -11.9! C(o=-27!,f=-33!) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.32 K(o=-2.3,f=-5.1!) USER MOD Single : A 23 TYR OH : rot -6:sc= -2.71! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -7.34! C(o=-7.3!,f=-6.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.58) USER MOD Single : A 41 THR OG1 : rot -102:sc= 0.79 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -1.62! (180deg=-2!) USER MOD Single : A 49 THR OG1 : rot -77:sc= -3.58! USER MOD Single : A 52 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 54 THR OG1 : rot -140:sc= -1.82! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.335) USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.544 USER MOD Single : A 68 SER OG : rot -24:sc= 1.01 USER MOD Single : A 71 CYS SG : rot 180:sc= 0.0427 USER MOD Single : B 5 CYS SG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -2.53 K(o=-2.5,f=-5.2!) USER MOD Single : B 23 TYR OH : rot -5:sc= -2.69! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 ASN : amide:sc= -7.58! C(o=-7.6!,f=-7!) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.57) USER MOD Single : B 41 THR OG1 : rot -99:sc= 0.769 USER MOD Single : B 44 LYS NZ :NH3+ 160:sc= -1.39 (180deg=-1.92!) USER MOD Single : B 49 THR OG1 : rot -77:sc= -3.75! USER MOD Single : B 52 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.0009) USER MOD Single : B 54 THR OG1 : rot -150:sc= -1.8! USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.328) USER MOD Single : B 67 THR OG1 : rot -66:sc= 0.517 USER MOD Single : B 68 SER OG : rot -26:sc= 0.953 USER MOD Single : B 71 CYS SG : rot -72:sc= 0.0758 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 104.989 0.615 11.310 1.00 4.68 N ATOM 2 CA ILE A 4 105.890 0.965 10.176 1.00 3.91 C ATOM 3 C ILE A 4 105.844 -0.148 9.127 1.00 3.25 C ATOM 4 O ILE A 4 106.094 0.076 7.959 1.00 3.36 O ATOM 5 CB ILE A 4 107.322 1.119 10.691 1.00 4.13 C ATOM 6 CG1 ILE A 4 107.302 1.822 12.050 1.00 4.79 C ATOM 7 CG2 ILE A 4 108.133 1.953 9.699 1.00 3.78 C ATOM 8 CD1 ILE A 4 107.803 0.861 13.130 1.00 5.56 C ATOM 0 HA ILE A 4 105.562 1.903 9.727 1.00 3.91 H new ATOM 0 HB ILE A 4 107.778 0.135 10.797 1.00 4.13 H new ATOM 0 HG12 ILE A 4 107.931 2.712 12.020 1.00 4.79 H new ATOM 0 HG13 ILE A 4 106.291 2.154 12.285 1.00 4.79 H new ATOM 0 HG21 ILE A 4 109.154 2.063 10.065 1.00 3.78 H new ATOM 0 HG22 ILE A 4 108.147 1.454 8.730 1.00 3.78 H new ATOM 0 HG23 ILE A 4 107.677 2.937 9.593 1.00 3.78 H new ATOM 0 HD11 ILE A 4 107.789 1.362 14.098 1.00 5.56 H new ATOM 0 HD12 ILE A 4 107.156 -0.016 13.166 1.00 5.56 H new ATOM 0 HD13 ILE A 4 108.822 0.551 12.897 1.00 5.56 H new ATOM 15 N CYS A 5 105.527 -1.346 9.533 1.00 3.21 N ATOM 16 CA CYS A 5 105.466 -2.472 8.561 1.00 3.39 C ATOM 17 C CYS A 5 104.496 -2.127 7.424 1.00 2.83 C ATOM 18 O CYS A 5 104.867 -2.169 6.268 1.00 2.87 O ATOM 19 CB CYS A 5 104.991 -3.740 9.273 1.00 4.28 C ATOM 20 SG CYS A 5 106.366 -4.911 9.401 1.00 5.35 S ATOM 0 H CYS A 5 105.307 -1.594 10.498 1.00 3.21 H new ATOM 0 HA CYS A 5 106.460 -2.640 8.146 1.00 3.39 H new ATOM 0 HB2 CYS A 5 104.616 -3.493 10.266 1.00 4.28 H new ATOM 0 HB3 CYS A 5 104.165 -4.191 8.723 1.00 4.28 H new ATOM 0 HG CYS A 5 105.964 -5.988 10.008 1.00 5.35 H new ATOM 26 N PRO A 6 103.278 -1.799 7.783 1.00 2.77 N ATOM 27 CA PRO A 6 102.242 -1.448 6.795 1.00 2.84 C ATOM 28 C PRO A 6 102.668 -0.217 5.990 1.00 2.56 C ATOM 29 O PRO A 6 102.885 -0.290 4.797 1.00 3.17 O ATOM 30 CB PRO A 6 100.989 -1.144 7.628 1.00 3.53 C ATOM 31 CG PRO A 6 101.356 -1.343 9.121 1.00 3.69 C ATOM 32 CD PRO A 6 102.836 -1.751 9.190 1.00 3.22 C ATOM 0 HA PRO A 6 102.069 -2.248 6.075 1.00 2.84 H new ATOM 0 HB2 PRO A 6 100.650 -0.123 7.450 1.00 3.53 H new ATOM 0 HB3 PRO A 6 100.171 -1.806 7.344 1.00 3.53 H new ATOM 0 HG2 PRO A 6 101.186 -0.424 9.682 1.00 3.69 H new ATOM 0 HG3 PRO A 6 100.727 -2.111 9.570 1.00 3.69 H new ATOM 0 HD2 PRO A 6 103.419 -1.030 9.764 1.00 3.22 H new ATOM 0 HD3 PRO A 6 102.958 -2.719 9.676 1.00 3.22 H new ATOM 40 N GLY A 7 102.788 0.914 6.632 1.00 2.12 N ATOM 41 CA GLY A 7 103.199 2.145 5.899 1.00 2.23 C ATOM 42 C GLY A 7 104.652 2.007 5.441 1.00 1.64 C ATOM 43 O GLY A 7 105.567 2.436 6.113 1.00 2.21 O ATOM 0 H GLY A 7 102.619 1.038 7.630 1.00 2.12 H new ATOM 0 HA2 GLY A 7 102.549 2.302 5.038 1.00 2.23 H new ATOM 0 HA3 GLY A 7 103.091 3.017 6.543 1.00 2.23 H new ATOM 47 N PHE A 8 104.869 1.410 4.300 1.00 1.10 N ATOM 48 CA PHE A 8 106.261 1.240 3.795 1.00 0.63 C ATOM 49 C PHE A 8 106.257 0.269 2.613 1.00 0.59 C ATOM 50 O PHE A 8 107.115 0.321 1.755 1.00 1.06 O ATOM 51 CB PHE A 8 107.146 0.683 4.914 1.00 1.16 C ATOM 52 CG PHE A 8 108.449 0.183 4.338 1.00 0.83 C ATOM 53 CD1 PHE A 8 109.284 1.058 3.635 1.00 1.35 C ATOM 54 CD2 PHE A 8 108.824 -1.155 4.513 1.00 1.48 C ATOM 55 CE1 PHE A 8 110.495 0.596 3.105 1.00 1.43 C ATOM 56 CE2 PHE A 8 110.034 -1.617 3.982 1.00 1.46 C ATOM 57 CZ PHE A 8 110.870 -0.741 3.279 1.00 0.91 C ATOM 0 H PHE A 8 104.140 1.032 3.695 1.00 1.10 H new ATOM 0 HA PHE A 8 106.652 2.205 3.471 1.00 0.63 H new ATOM 0 HB2 PHE A 8 107.340 1.458 5.656 1.00 1.16 H new ATOM 0 HB3 PHE A 8 106.630 -0.128 5.428 1.00 1.16 H new ATOM 0 HD1 PHE A 8 108.995 2.090 3.501 1.00 1.35 H new ATOM 0 HD2 PHE A 8 108.180 -1.830 5.057 1.00 1.48 H new ATOM 0 HE1 PHE A 8 111.140 1.271 2.562 1.00 1.43 H new ATOM 0 HE2 PHE A 8 110.323 -2.649 4.115 1.00 1.46 H new ATOM 0 HZ PHE A 8 111.804 -1.097 2.871 1.00 0.91 H new ATOM 67 N LEU A 9 105.301 -0.622 2.558 1.00 0.62 N ATOM 68 CA LEU A 9 105.263 -1.588 1.425 1.00 0.82 C ATOM 69 C LEU A 9 104.880 -0.858 0.139 1.00 0.73 C ATOM 70 O LEU A 9 105.372 -1.167 -0.927 1.00 0.95 O ATOM 71 CB LEU A 9 104.247 -2.690 1.695 1.00 1.23 C ATOM 72 CG LEU A 9 104.252 -3.645 0.504 1.00 2.00 C ATOM 73 CD1 LEU A 9 104.689 -5.037 0.964 1.00 2.80 C ATOM 74 CD2 LEU A 9 102.847 -3.722 -0.097 1.00 2.36 C ATOM 0 H LEU A 9 104.552 -0.721 3.243 1.00 0.62 H new ATOM 0 HA LEU A 9 106.252 -2.034 1.319 1.00 0.82 H new ATOM 0 HB2 LEU A 9 104.499 -3.224 2.611 1.00 1.23 H new ATOM 0 HB3 LEU A 9 103.254 -2.265 1.837 1.00 1.23 H new ATOM 0 HG LEU A 9 104.949 -3.278 -0.250 1.00 2.00 H new ATOM 0 HD11 LEU A 9 104.692 -5.717 0.112 1.00 2.80 H new ATOM 0 HD12 LEU A 9 105.692 -4.982 1.388 1.00 2.80 H new ATOM 0 HD13 LEU A 9 103.995 -5.405 1.720 1.00 2.80 H new ATOM 0 HD21 LEU A 9 102.852 -4.404 -0.947 1.00 2.36 H new ATOM 0 HD22 LEU A 9 102.148 -4.086 0.656 1.00 2.36 H new ATOM 0 HD23 LEU A 9 102.538 -2.731 -0.429 1.00 2.36 H new ATOM 86 N GLN A 10 104.016 0.116 0.221 1.00 0.70 N ATOM 87 CA GLN A 10 103.644 0.857 -1.013 1.00 0.67 C ATOM 88 C GLN A 10 104.934 1.353 -1.654 1.00 0.58 C ATOM 89 O GLN A 10 105.001 1.612 -2.839 1.00 0.63 O ATOM 90 CB GLN A 10 102.748 2.045 -0.656 1.00 0.85 C ATOM 91 CG GLN A 10 101.476 1.540 0.027 1.00 1.00 C ATOM 92 CD GLN A 10 100.501 2.703 0.217 1.00 1.64 C ATOM 93 OE1 GLN A 10 100.852 3.846 0.001 1.00 2.38 O ATOM 94 NE2 GLN A 10 99.283 2.460 0.617 1.00 2.08 N ATOM 0 H GLN A 10 103.558 0.427 1.078 1.00 0.70 H new ATOM 0 HA GLN A 10 103.097 0.212 -1.700 1.00 0.67 H new ATOM 0 HB2 GLN A 10 103.280 2.730 0.004 1.00 0.85 H new ATOM 0 HB3 GLN A 10 102.492 2.604 -1.556 1.00 0.85 H new ATOM 0 HG2 GLN A 10 101.013 0.759 -0.576 1.00 1.00 H new ATOM 0 HG3 GLN A 10 101.721 1.096 0.992 1.00 1.00 H new ATOM 0 HE21 GLN A 10 98.988 1.501 0.798 1.00 2.08 H new ATOM 0 HE22 GLN A 10 98.626 3.229 0.748 1.00 2.08 H new ATOM 101 N VAL A 11 105.967 1.468 -0.866 1.00 0.65 N ATOM 102 CA VAL A 11 107.273 1.924 -1.397 1.00 0.62 C ATOM 103 C VAL A 11 108.105 0.700 -1.773 1.00 0.56 C ATOM 104 O VAL A 11 108.931 0.751 -2.659 1.00 0.54 O ATOM 105 CB VAL A 11 107.996 2.727 -0.323 1.00 0.75 C ATOM 106 CG1 VAL A 11 109.228 3.400 -0.932 1.00 0.71 C ATOM 107 CG2 VAL A 11 107.045 3.792 0.228 1.00 0.89 C ATOM 0 H VAL A 11 105.957 1.262 0.133 1.00 0.65 H new ATOM 0 HA VAL A 11 107.124 2.551 -2.276 1.00 0.62 H new ATOM 0 HB VAL A 11 108.312 2.066 0.484 1.00 0.75 H new ATOM 0 HG11 VAL A 11 109.746 3.975 -0.164 1.00 0.71 H new ATOM 0 HG12 VAL A 11 109.899 2.639 -1.330 1.00 0.71 H new ATOM 0 HG13 VAL A 11 108.918 4.067 -1.737 1.00 0.71 H new ATOM 0 HG21 VAL A 11 107.555 4.372 0.998 1.00 0.89 H new ATOM 0 HG22 VAL A 11 106.734 4.455 -0.579 1.00 0.89 H new ATOM 0 HG23 VAL A 11 106.168 3.309 0.659 1.00 0.89 H new ATOM 111 N LEU A 12 107.888 -0.407 -1.111 1.00 0.58 N ATOM 112 CA LEU A 12 108.662 -1.632 -1.451 1.00 0.59 C ATOM 113 C LEU A 12 108.371 -2.002 -2.906 1.00 0.51 C ATOM 114 O LEU A 12 109.256 -2.362 -3.657 1.00 0.65 O ATOM 115 CB LEU A 12 108.236 -2.781 -0.534 1.00 0.66 C ATOM 116 CG LEU A 12 109.447 -3.663 -0.225 1.00 0.80 C ATOM 117 CD1 LEU A 12 110.540 -2.819 0.432 1.00 1.25 C ATOM 118 CD2 LEU A 12 109.029 -4.786 0.727 1.00 1.11 C ATOM 0 H LEU A 12 107.212 -0.513 -0.355 1.00 0.58 H new ATOM 0 HA LEU A 12 109.728 -1.449 -1.317 1.00 0.59 H new ATOM 0 HB2 LEU A 12 107.815 -2.386 0.391 1.00 0.66 H new ATOM 0 HB3 LEU A 12 107.455 -3.372 -1.013 1.00 0.66 H new ATOM 0 HG LEU A 12 109.829 -4.093 -1.151 1.00 0.80 H new ATOM 0 HD11 LEU A 12 111.403 -3.448 0.652 1.00 1.25 H new ATOM 0 HD12 LEU A 12 110.838 -2.018 -0.245 1.00 1.25 H new ATOM 0 HD13 LEU A 12 110.160 -2.388 1.358 1.00 1.25 H new ATOM 0 HD21 LEU A 12 109.891 -5.415 0.948 1.00 1.11 H new ATOM 0 HD22 LEU A 12 108.647 -4.355 1.653 1.00 1.11 H new ATOM 0 HD23 LEU A 12 108.250 -5.389 0.259 1.00 1.11 H new ATOM 130 N GLU A 13 107.133 -1.900 -3.312 1.00 0.37 N ATOM 131 CA GLU A 13 106.778 -2.227 -4.721 1.00 0.36 C ATOM 132 C GLU A 13 107.129 -1.029 -5.605 1.00 0.33 C ATOM 133 O GLU A 13 107.804 -1.159 -6.606 1.00 0.38 O ATOM 134 CB GLU A 13 105.278 -2.515 -4.819 1.00 0.41 C ATOM 135 CG GLU A 13 105.039 -4.022 -4.708 1.00 1.11 C ATOM 136 CD GLU A 13 104.352 -4.334 -3.378 1.00 1.60 C ATOM 137 OE1 GLU A 13 103.527 -3.539 -2.958 1.00 1.99 O ATOM 138 OE2 GLU A 13 104.662 -5.364 -2.801 1.00 2.35 O ATOM 0 H GLU A 13 106.352 -1.604 -2.726 1.00 0.37 H new ATOM 0 HA GLU A 13 107.331 -3.107 -5.049 1.00 0.36 H new ATOM 0 HB2 GLU A 13 104.744 -1.992 -4.026 1.00 0.41 H new ATOM 0 HB3 GLU A 13 104.887 -2.143 -5.766 1.00 0.41 H new ATOM 0 HG2 GLU A 13 104.421 -4.365 -5.538 1.00 1.11 H new ATOM 0 HG3 GLU A 13 105.986 -4.557 -4.774 1.00 1.11 H new ATOM 145 N ALA A 14 106.686 0.141 -5.233 1.00 0.31 N ATOM 146 CA ALA A 14 107.008 1.352 -6.041 1.00 0.31 C ATOM 147 C ALA A 14 108.525 1.444 -6.219 1.00 0.28 C ATOM 148 O ALA A 14 109.025 2.104 -7.107 1.00 0.32 O ATOM 149 CB ALA A 14 106.515 2.592 -5.301 1.00 0.37 C ATOM 0 H ALA A 14 106.115 0.311 -4.405 1.00 0.31 H new ATOM 0 HA ALA A 14 106.524 1.287 -7.015 1.00 0.31 H new ATOM 0 HB1 ALA A 14 106.747 3.482 -5.887 1.00 0.37 H new ATOM 0 HB2 ALA A 14 105.437 2.524 -5.156 1.00 0.37 H new ATOM 0 HB3 ALA A 14 107.008 2.657 -4.331 1.00 0.37 H new ATOM 155 N LEU A 15 109.252 0.786 -5.362 1.00 0.26 N ATOM 156 CA LEU A 15 110.742 0.817 -5.436 1.00 0.26 C ATOM 157 C LEU A 15 111.239 -0.278 -6.389 1.00 0.27 C ATOM 158 O LEU A 15 111.962 -0.014 -7.329 1.00 0.33 O ATOM 159 CB LEU A 15 111.306 0.578 -4.023 1.00 0.30 C ATOM 160 CG LEU A 15 112.716 -0.021 -4.097 1.00 0.52 C ATOM 161 CD1 LEU A 15 113.663 0.979 -4.758 1.00 1.05 C ATOM 162 CD2 LEU A 15 113.212 -0.334 -2.683 1.00 1.02 C ATOM 0 H LEU A 15 108.874 0.220 -4.602 1.00 0.26 H new ATOM 0 HA LEU A 15 111.077 1.784 -5.812 1.00 0.26 H new ATOM 0 HB2 LEU A 15 111.333 1.519 -3.473 1.00 0.30 H new ATOM 0 HB3 LEU A 15 110.648 -0.094 -3.472 1.00 0.30 H new ATOM 0 HG LEU A 15 112.689 -0.938 -4.685 1.00 0.52 H new ATOM 0 HD11 LEU A 15 114.665 0.552 -4.810 1.00 1.05 H new ATOM 0 HD12 LEU A 15 113.311 1.202 -5.765 1.00 1.05 H new ATOM 0 HD13 LEU A 15 113.690 1.897 -4.171 1.00 1.05 H new ATOM 0 HD21 LEU A 15 114.214 -0.760 -2.735 1.00 1.02 H new ATOM 0 HD22 LEU A 15 113.238 0.583 -2.095 1.00 1.02 H new ATOM 0 HD23 LEU A 15 112.538 -1.049 -2.211 1.00 1.02 H new ATOM 174 N LEU A 16 110.879 -1.506 -6.136 1.00 0.33 N ATOM 175 CA LEU A 16 111.355 -2.619 -7.006 1.00 0.35 C ATOM 176 C LEU A 16 110.284 -2.978 -8.038 1.00 0.39 C ATOM 177 O LEU A 16 110.569 -3.153 -9.206 1.00 0.48 O ATOM 178 CB LEU A 16 111.653 -3.852 -6.146 1.00 0.37 C ATOM 179 CG LEU A 16 112.201 -3.432 -4.776 1.00 0.44 C ATOM 180 CD1 LEU A 16 111.877 -4.501 -3.729 1.00 0.70 C ATOM 181 CD2 LEU A 16 113.717 -3.242 -4.865 1.00 0.49 C ATOM 0 H LEU A 16 110.275 -1.787 -5.364 1.00 0.33 H new ATOM 0 HA LEU A 16 112.260 -2.298 -7.522 1.00 0.35 H new ATOM 0 HB2 LEU A 16 110.745 -4.440 -6.016 1.00 0.37 H new ATOM 0 HB3 LEU A 16 112.376 -4.490 -6.653 1.00 0.37 H new ATOM 0 HG LEU A 16 111.734 -2.493 -4.480 1.00 0.44 H new ATOM 0 HD11 LEU A 16 112.271 -4.193 -2.760 1.00 0.70 H new ATOM 0 HD12 LEU A 16 110.796 -4.626 -3.659 1.00 0.70 H new ATOM 0 HD13 LEU A 16 112.333 -5.447 -4.022 1.00 0.70 H new ATOM 0 HD21 LEU A 16 114.104 -2.944 -3.891 1.00 0.49 H new ATOM 0 HD22 LEU A 16 114.184 -4.179 -5.170 1.00 0.49 H new ATOM 0 HD23 LEU A 16 113.944 -2.468 -5.598 1.00 0.49 H new ATOM 193 N LEU A 17 109.056 -3.104 -7.618 1.00 0.38 N ATOM 194 CA LEU A 17 107.977 -3.465 -8.563 1.00 0.46 C ATOM 195 C LEU A 17 107.383 -2.196 -9.175 1.00 0.46 C ATOM 196 O LEU A 17 106.289 -2.203 -9.704 1.00 0.65 O ATOM 197 CB LEU A 17 106.901 -4.216 -7.789 1.00 0.52 C ATOM 198 CG LEU A 17 107.185 -5.718 -7.839 1.00 0.62 C ATOM 199 CD1 LEU A 17 106.054 -6.475 -7.141 1.00 0.75 C ATOM 200 CD2 LEU A 17 107.278 -6.172 -9.298 1.00 0.72 C ATOM 0 H LEU A 17 108.757 -2.970 -6.652 1.00 0.38 H new ATOM 0 HA LEU A 17 108.370 -4.089 -9.365 1.00 0.46 H new ATOM 0 HB2 LEU A 17 106.878 -3.874 -6.754 1.00 0.52 H new ATOM 0 HB3 LEU A 17 105.920 -4.007 -8.215 1.00 0.52 H new ATOM 0 HG LEU A 17 108.128 -5.926 -7.333 1.00 0.62 H new ATOM 0 HD11 LEU A 17 106.256 -7.545 -7.177 1.00 0.75 H new ATOM 0 HD12 LEU A 17 105.988 -6.153 -6.102 1.00 0.75 H new ATOM 0 HD13 LEU A 17 105.111 -6.267 -7.646 1.00 0.75 H new ATOM 0 HD21 LEU A 17 107.480 -7.242 -9.334 1.00 0.72 H new ATOM 0 HD22 LEU A 17 106.336 -5.964 -9.805 1.00 0.72 H new ATOM 0 HD23 LEU A 17 108.084 -5.633 -9.796 1.00 0.72 H new ATOM 212 N GLY A 18 108.097 -1.108 -9.110 1.00 0.47 N ATOM 213 CA GLY A 18 107.576 0.160 -9.692 1.00 0.51 C ATOM 214 C GLY A 18 108.632 0.773 -10.613 1.00 0.59 C ATOM 215 O GLY A 18 109.739 0.284 -10.717 1.00 1.10 O ATOM 0 H GLY A 18 109.019 -1.042 -8.679 1.00 0.47 H new ATOM 0 HA2 GLY A 18 106.660 -0.034 -10.250 1.00 0.51 H new ATOM 0 HA3 GLY A 18 107.322 0.860 -8.896 1.00 0.51 H new ATOM 219 N SER A 19 108.298 1.842 -11.282 1.00 0.54 N ATOM 220 CA SER A 19 109.280 2.492 -12.195 1.00 0.57 C ATOM 221 C SER A 19 109.362 3.983 -11.861 1.00 0.62 C ATOM 222 O SER A 19 110.424 4.573 -11.855 1.00 1.21 O ATOM 223 CB SER A 19 108.825 2.316 -13.644 1.00 0.77 C ATOM 224 OG SER A 19 108.502 0.950 -13.872 1.00 1.39 O ATOM 0 H SER A 19 107.385 2.294 -11.236 1.00 0.54 H new ATOM 0 HA SER A 19 110.260 2.033 -12.068 1.00 0.57 H new ATOM 0 HB2 SER A 19 107.958 2.945 -13.844 1.00 0.77 H new ATOM 0 HB3 SER A 19 109.613 2.634 -14.326 1.00 0.77 H new ATOM 0 HG SER A 19 108.208 0.834 -14.800 1.00 1.39 H new ATOM 230 N GLU A 20 108.244 4.592 -11.579 1.00 0.67 N ATOM 231 CA GLU A 20 108.240 6.042 -11.239 1.00 0.70 C ATOM 232 C GLU A 20 106.796 6.517 -11.108 1.00 0.81 C ATOM 233 O GLU A 20 105.886 5.901 -11.629 1.00 1.49 O ATOM 234 CB GLU A 20 108.947 6.834 -12.342 1.00 0.83 C ATOM 235 CG GLU A 20 109.822 7.918 -11.711 1.00 1.60 C ATOM 236 CD GLU A 20 110.993 8.234 -12.643 1.00 2.07 C ATOM 237 OE1 GLU A 20 110.805 9.026 -13.552 1.00 2.48 O ATOM 238 OE2 GLU A 20 112.059 7.680 -12.432 1.00 2.66 O ATOM 0 H GLU A 20 107.327 4.145 -11.569 1.00 0.67 H new ATOM 0 HA GLU A 20 108.766 6.200 -10.297 1.00 0.70 H new ATOM 0 HB2 GLU A 20 109.558 6.166 -12.949 1.00 0.83 H new ATOM 0 HB3 GLU A 20 108.212 7.287 -13.007 1.00 0.83 H new ATOM 0 HG2 GLU A 20 109.233 8.817 -11.532 1.00 1.60 H new ATOM 0 HG3 GLU A 20 110.194 7.582 -10.743 1.00 1.60 H new ATOM 245 N SER A 21 106.581 7.593 -10.397 1.00 0.72 N ATOM 246 CA SER A 21 105.196 8.110 -10.194 1.00 0.75 C ATOM 247 C SER A 21 104.565 7.359 -9.020 1.00 0.68 C ATOM 248 O SER A 21 103.964 7.948 -8.144 1.00 0.81 O ATOM 249 CB SER A 21 104.357 7.900 -11.457 1.00 0.85 C ATOM 250 OG SER A 21 103.275 8.821 -11.461 1.00 1.30 O ATOM 0 H SER A 21 107.313 8.140 -9.944 1.00 0.72 H new ATOM 0 HA SER A 21 105.232 9.179 -9.982 1.00 0.75 H new ATOM 0 HB2 SER A 21 104.974 8.042 -12.345 1.00 0.85 H new ATOM 0 HB3 SER A 21 103.980 6.878 -11.491 1.00 0.85 H new ATOM 0 HG SER A 21 102.737 8.690 -12.270 1.00 1.30 H new ATOM 256 N ASN A 22 104.718 6.062 -8.986 1.00 0.58 N ATOM 257 CA ASN A 22 104.152 5.273 -7.858 1.00 0.53 C ATOM 258 C ASN A 22 105.097 5.383 -6.664 1.00 0.45 C ATOM 259 O ASN A 22 104.677 5.380 -5.524 1.00 0.48 O ATOM 260 CB ASN A 22 104.015 3.800 -8.260 1.00 0.49 C ATOM 261 CG ASN A 22 105.192 3.386 -9.145 1.00 0.44 C ATOM 262 OD1 ASN A 22 106.216 2.956 -8.652 1.00 0.75 O ATOM 263 ND2 ASN A 22 105.089 3.499 -10.441 1.00 0.90 N ATOM 0 H ASN A 22 105.211 5.516 -9.692 1.00 0.58 H new ATOM 0 HA ASN A 22 103.167 5.661 -7.600 1.00 0.53 H new ATOM 0 HB2 ASN A 22 103.982 3.173 -7.369 1.00 0.49 H new ATOM 0 HB3 ASN A 22 103.077 3.646 -8.793 1.00 0.49 H new ATOM 0 HD21 ASN A 22 105.868 3.226 -11.040 1.00 0.90 H new ATOM 0 HD22 ASN A 22 104.229 3.860 -10.855 1.00 0.90 H new ATOM 270 N TYR A 23 106.374 5.482 -6.918 1.00 0.38 N ATOM 271 CA TYR A 23 107.349 5.599 -5.799 1.00 0.31 C ATOM 272 C TYR A 23 107.208 6.974 -5.146 1.00 0.33 C ATOM 273 O TYR A 23 106.994 7.085 -3.955 1.00 0.34 O ATOM 274 CB TYR A 23 108.769 5.438 -6.340 1.00 0.28 C ATOM 275 CG TYR A 23 109.759 5.774 -5.251 1.00 0.23 C ATOM 276 CD1 TYR A 23 110.217 4.770 -4.393 1.00 1.19 C ATOM 277 CD2 TYR A 23 110.218 7.088 -5.098 1.00 1.25 C ATOM 278 CE1 TYR A 23 111.136 5.078 -3.384 1.00 1.18 C ATOM 279 CE2 TYR A 23 111.137 7.397 -4.087 1.00 1.25 C ATOM 280 CZ TYR A 23 111.598 6.388 -3.228 1.00 0.18 C ATOM 281 OH TYR A 23 112.513 6.680 -2.232 1.00 0.18 O ATOM 0 H TYR A 23 106.783 5.487 -7.852 1.00 0.38 H new ATOM 0 HA TYR A 23 107.151 4.821 -5.061 1.00 0.31 H new ATOM 0 HB2 TYR A 23 108.925 4.416 -6.686 1.00 0.28 H new ATOM 0 HB3 TYR A 23 108.920 6.092 -7.199 1.00 0.28 H new ATOM 0 HD1 TYR A 23 109.862 3.757 -4.509 1.00 1.19 H new ATOM 0 HD2 TYR A 23 109.863 7.864 -5.760 1.00 1.25 H new ATOM 0 HE1 TYR A 23 111.490 4.301 -2.723 1.00 1.18 H new ATOM 0 HE2 TYR A 23 111.490 8.411 -3.969 1.00 1.25 H new ATOM 0 HH TYR A 23 112.656 5.886 -1.676 1.00 0.18 H new ATOM 291 N GLU A 24 107.319 8.024 -5.914 1.00 0.36 N ATOM 292 CA GLU A 24 107.180 9.385 -5.325 1.00 0.40 C ATOM 293 C GLU A 24 105.752 9.549 -4.809 1.00 0.45 C ATOM 294 O GLU A 24 105.527 9.996 -3.703 1.00 0.47 O ATOM 295 CB GLU A 24 107.468 10.442 -6.393 1.00 0.47 C ATOM 296 CG GLU A 24 108.950 10.819 -6.355 1.00 1.12 C ATOM 297 CD GLU A 24 109.233 11.884 -7.416 1.00 1.49 C ATOM 298 OE1 GLU A 24 108.364 12.710 -7.645 1.00 2.19 O ATOM 299 OE2 GLU A 24 110.314 11.857 -7.981 1.00 1.90 O ATOM 0 H GLU A 24 107.499 7.998 -6.918 1.00 0.36 H new ATOM 0 HA GLU A 24 107.888 9.510 -4.506 1.00 0.40 H new ATOM 0 HB2 GLU A 24 107.205 10.059 -7.379 1.00 0.47 H new ATOM 0 HB3 GLU A 24 106.853 11.325 -6.220 1.00 0.47 H new ATOM 0 HG2 GLU A 24 109.215 11.195 -5.367 1.00 1.12 H new ATOM 0 HG3 GLU A 24 109.565 9.938 -6.536 1.00 1.12 H new ATOM 306 N ALA A 25 104.784 9.177 -5.601 1.00 0.49 N ATOM 307 CA ALA A 25 103.376 9.292 -5.153 1.00 0.55 C ATOM 308 C ALA A 25 103.189 8.409 -3.920 1.00 0.53 C ATOM 309 O ALA A 25 102.356 8.665 -3.074 1.00 0.58 O ATOM 310 CB ALA A 25 102.443 8.822 -6.269 1.00 0.62 C ATOM 0 H ALA A 25 104.912 8.798 -6.539 1.00 0.49 H new ATOM 0 HA ALA A 25 103.142 10.329 -4.910 1.00 0.55 H new ATOM 0 HB1 ALA A 25 101.408 8.907 -5.938 1.00 0.62 H new ATOM 0 HB2 ALA A 25 102.593 9.441 -7.154 1.00 0.62 H new ATOM 0 HB3 ALA A 25 102.662 7.782 -6.512 1.00 0.62 H new ATOM 316 N ALA A 26 103.973 7.371 -3.814 1.00 0.48 N ATOM 317 CA ALA A 26 103.869 6.468 -2.645 1.00 0.49 C ATOM 318 C ALA A 26 104.445 7.181 -1.422 1.00 0.45 C ATOM 319 O ALA A 26 104.060 6.927 -0.298 1.00 0.47 O ATOM 320 CB ALA A 26 104.661 5.185 -2.920 1.00 0.47 C ATOM 0 H ALA A 26 104.686 7.112 -4.496 1.00 0.48 H new ATOM 0 HA ALA A 26 102.826 6.209 -2.462 1.00 0.49 H new ATOM 0 HB1 ALA A 26 104.585 4.519 -2.060 1.00 0.47 H new ATOM 0 HB2 ALA A 26 104.254 4.688 -3.801 1.00 0.47 H new ATOM 0 HB3 ALA A 26 105.708 5.434 -3.095 1.00 0.47 H new ATOM 326 N LEU A 27 105.369 8.077 -1.642 1.00 0.42 N ATOM 327 CA LEU A 27 105.986 8.824 -0.528 1.00 0.40 C ATOM 328 C LEU A 27 105.071 9.987 -0.128 1.00 0.41 C ATOM 329 O LEU A 27 105.265 10.621 0.887 1.00 0.41 O ATOM 330 CB LEU A 27 107.317 9.373 -1.024 1.00 0.38 C ATOM 331 CG LEU A 27 108.353 8.249 -1.098 1.00 0.33 C ATOM 332 CD1 LEU A 27 109.288 8.497 -2.281 1.00 0.38 C ATOM 333 CD2 LEU A 27 109.176 8.219 0.191 1.00 0.35 C ATOM 0 H LEU A 27 105.723 8.321 -2.567 1.00 0.42 H new ATOM 0 HA LEU A 27 106.135 8.177 0.336 1.00 0.40 H new ATOM 0 HB2 LEU A 27 107.189 9.826 -2.007 1.00 0.38 H new ATOM 0 HB3 LEU A 27 107.668 10.158 -0.355 1.00 0.38 H new ATOM 0 HG LEU A 27 107.839 7.296 -1.225 1.00 0.33 H new ATOM 0 HD11 LEU A 27 110.027 7.697 -2.335 1.00 0.38 H new ATOM 0 HD12 LEU A 27 108.709 8.519 -3.204 1.00 0.38 H new ATOM 0 HD13 LEU A 27 109.797 9.452 -2.149 1.00 0.38 H new ATOM 0 HD21 LEU A 27 109.912 7.417 0.134 1.00 0.35 H new ATOM 0 HD22 LEU A 27 109.687 9.173 0.318 1.00 0.35 H new ATOM 0 HD23 LEU A 27 108.515 8.045 1.040 1.00 0.35 H new ATOM 345 N LYS A 28 104.086 10.279 -0.933 1.00 0.46 N ATOM 346 CA LYS A 28 103.161 11.405 -0.621 1.00 0.49 C ATOM 347 C LYS A 28 102.664 11.310 0.829 1.00 0.51 C ATOM 348 O LYS A 28 102.785 12.258 1.580 1.00 0.51 O ATOM 349 CB LYS A 28 101.962 11.359 -1.571 1.00 0.57 C ATOM 350 CG LYS A 28 101.792 12.722 -2.245 1.00 0.64 C ATOM 351 CD LYS A 28 101.492 12.522 -3.732 1.00 1.21 C ATOM 352 CE LYS A 28 100.721 13.731 -4.265 1.00 1.68 C ATOM 353 NZ LYS A 28 99.958 13.335 -5.482 1.00 2.05 N ATOM 0 H LYS A 28 103.881 9.782 -1.800 1.00 0.46 H new ATOM 0 HA LYS A 28 103.700 12.344 -0.747 1.00 0.49 H new ATOM 0 HB2 LYS A 28 102.111 10.585 -2.324 1.00 0.57 H new ATOM 0 HB3 LYS A 28 101.058 11.098 -1.020 1.00 0.57 H new ATOM 0 HG2 LYS A 28 100.982 13.276 -1.771 1.00 0.64 H new ATOM 0 HG3 LYS A 28 102.698 13.316 -2.122 1.00 0.64 H new ATOM 0 HD2 LYS A 28 102.421 12.396 -4.288 1.00 1.21 H new ATOM 0 HD3 LYS A 28 100.909 11.613 -3.877 1.00 1.21 H new ATOM 0 HE2 LYS A 28 100.040 14.107 -3.502 1.00 1.68 H new ATOM 0 HE3 LYS A 28 101.411 14.540 -4.503 1.00 1.68 H new ATOM 0 HZ1 LYS A 28 99.433 14.156 -5.845 1.00 2.05 H new ATOM 0 HZ2 LYS A 28 100.618 12.996 -6.211 1.00 2.05 H new ATOM 0 HZ3 LYS A 28 99.289 12.576 -5.241 1.00 2.05 H new ATOM 367 N PRO A 29 102.107 10.176 1.177 1.00 0.55 N ATOM 368 CA PRO A 29 101.575 9.950 2.535 1.00 0.60 C ATOM 369 C PRO A 29 102.690 10.081 3.578 1.00 0.56 C ATOM 370 O PRO A 29 102.445 10.390 4.727 1.00 0.62 O ATOM 371 CB PRO A 29 101.022 8.518 2.507 1.00 0.65 C ATOM 372 CG PRO A 29 101.237 7.958 1.078 1.00 0.62 C ATOM 373 CD PRO A 29 101.960 9.036 0.255 1.00 0.57 C ATOM 0 HA PRO A 29 100.811 10.679 2.806 1.00 0.60 H new ATOM 0 HB2 PRO A 29 101.533 7.896 3.242 1.00 0.65 H new ATOM 0 HB3 PRO A 29 99.963 8.512 2.765 1.00 0.65 H new ATOM 0 HG2 PRO A 29 101.828 7.043 1.111 1.00 0.62 H new ATOM 0 HG3 PRO A 29 100.281 7.704 0.619 1.00 0.62 H new ATOM 0 HD2 PRO A 29 102.930 8.683 -0.095 1.00 0.57 H new ATOM 0 HD3 PRO A 29 101.384 9.313 -0.628 1.00 0.57 H new ATOM 381 N PHE A 30 103.911 9.847 3.186 1.00 0.51 N ATOM 382 CA PHE A 30 105.041 9.956 4.152 1.00 0.50 C ATOM 383 C PHE A 30 105.576 11.391 4.148 1.00 0.47 C ATOM 384 O PHE A 30 106.308 11.796 5.029 1.00 0.50 O ATOM 385 CB PHE A 30 106.148 8.985 3.737 1.00 0.48 C ATOM 386 CG PHE A 30 105.626 7.571 3.837 1.00 0.52 C ATOM 387 CD1 PHE A 30 105.055 7.119 5.032 1.00 1.24 C ATOM 388 CD2 PHE A 30 105.714 6.712 2.735 1.00 1.41 C ATOM 389 CE1 PHE A 30 104.571 5.809 5.126 1.00 1.26 C ATOM 390 CE2 PHE A 30 105.230 5.402 2.828 1.00 1.49 C ATOM 391 CZ PHE A 30 104.659 4.950 4.024 1.00 0.76 C ATOM 0 H PHE A 30 104.176 9.584 2.237 1.00 0.51 H new ATOM 0 HA PHE A 30 104.698 9.706 5.156 1.00 0.50 H new ATOM 0 HB2 PHE A 30 106.471 9.196 2.717 1.00 0.48 H new ATOM 0 HB3 PHE A 30 107.019 9.111 4.380 1.00 0.48 H new ATOM 0 HD1 PHE A 30 104.988 7.781 5.882 1.00 1.24 H new ATOM 0 HD2 PHE A 30 106.155 7.060 1.813 1.00 1.41 H new ATOM 0 HE1 PHE A 30 104.130 5.461 6.048 1.00 1.26 H new ATOM 0 HE2 PHE A 30 105.297 4.740 1.977 1.00 1.49 H new ATOM 0 HZ PHE A 30 104.287 3.939 4.096 1.00 0.76 H new ATOM 401 N ASN A 31 105.202 12.162 3.165 1.00 0.46 N ATOM 402 CA ASN A 31 105.664 13.579 3.090 1.00 0.48 C ATOM 403 C ASN A 31 107.139 13.682 3.495 1.00 0.44 C ATOM 404 O ASN A 31 107.467 14.340 4.462 1.00 0.48 O ATOM 405 CB ASN A 31 104.818 14.437 4.033 1.00 0.60 C ATOM 406 CG ASN A 31 105.058 14.000 5.479 1.00 0.67 C ATOM 407 OD1 ASN A 31 105.873 14.574 6.172 1.00 1.04 O ATOM 408 ND2 ASN A 31 104.377 12.999 5.966 1.00 1.40 N ATOM 0 H ASN A 31 104.590 11.869 2.403 1.00 0.46 H new ATOM 0 HA ASN A 31 105.554 13.933 2.065 1.00 0.48 H new ATOM 0 HB2 ASN A 31 105.076 15.489 3.913 1.00 0.60 H new ATOM 0 HB3 ASN A 31 103.762 14.337 3.783 1.00 0.60 H new ATOM 0 HD21 ASN A 31 104.529 12.699 6.929 1.00 1.40 H new ATOM 0 HD22 ASN A 31 103.692 12.517 5.384 1.00 1.40 H new ATOM 415 N PRO A 32 107.986 13.040 2.732 1.00 0.40 N ATOM 416 CA PRO A 32 109.437 13.060 2.986 1.00 0.40 C ATOM 417 C PRO A 32 109.964 14.493 2.862 1.00 0.42 C ATOM 418 O PRO A 32 109.531 15.250 2.016 1.00 0.50 O ATOM 419 CB PRO A 32 110.040 12.167 1.893 1.00 0.44 C ATOM 420 CG PRO A 32 108.875 11.663 1.001 1.00 0.47 C ATOM 421 CD PRO A 32 107.569 12.244 1.566 1.00 0.43 C ATOM 0 HA PRO A 32 109.694 12.708 3.985 1.00 0.40 H new ATOM 0 HB2 PRO A 32 110.763 12.725 1.299 1.00 0.44 H new ATOM 0 HB3 PRO A 32 110.573 11.326 2.337 1.00 0.44 H new ATOM 0 HG2 PRO A 32 109.019 11.980 -0.032 1.00 0.47 H new ATOM 0 HG3 PRO A 32 108.839 10.574 0.998 1.00 0.47 H new ATOM 0 HD2 PRO A 32 107.059 12.862 0.827 1.00 0.43 H new ATOM 0 HD3 PRO A 32 106.876 11.453 1.854 1.00 0.43 H new ATOM 429 N ALA A 33 110.889 14.873 3.700 1.00 0.40 N ATOM 430 CA ALA A 33 111.434 16.256 3.630 1.00 0.48 C ATOM 431 C ALA A 33 111.825 16.585 2.186 1.00 0.54 C ATOM 432 O ALA A 33 111.679 15.775 1.292 1.00 0.97 O ATOM 433 CB ALA A 33 112.665 16.366 4.530 1.00 0.49 C ATOM 0 H ALA A 33 111.290 14.285 4.430 1.00 0.40 H new ATOM 0 HA ALA A 33 110.673 16.960 3.966 1.00 0.48 H new ATOM 0 HB1 ALA A 33 113.064 17.379 4.479 1.00 0.49 H new ATOM 0 HB2 ALA A 33 112.385 16.138 5.559 1.00 0.49 H new ATOM 0 HB3 ALA A 33 113.425 15.659 4.195 1.00 0.49 H new ATOM 439 N SER A 34 112.320 17.770 1.952 1.00 0.44 N ATOM 440 CA SER A 34 112.718 18.155 0.568 1.00 0.46 C ATOM 441 C SER A 34 113.811 17.211 0.060 1.00 0.41 C ATOM 442 O SER A 34 113.534 16.182 -0.524 1.00 0.55 O ATOM 443 CB SER A 34 113.246 19.589 0.571 1.00 0.58 C ATOM 444 OG SER A 34 112.156 20.492 0.445 1.00 1.36 O ATOM 0 H SER A 34 112.466 18.489 2.661 1.00 0.44 H new ATOM 0 HA SER A 34 111.850 18.085 -0.088 1.00 0.46 H new ATOM 0 HB2 SER A 34 113.791 19.786 1.494 1.00 0.58 H new ATOM 0 HB3 SER A 34 113.948 19.732 -0.250 1.00 0.58 H new ATOM 0 HG SER A 34 112.492 21.413 0.448 1.00 1.36 H new ATOM 450 N ASP A 35 115.052 17.557 0.274 1.00 0.42 N ATOM 451 CA ASP A 35 116.166 16.685 -0.200 1.00 0.45 C ATOM 452 C ASP A 35 115.832 15.220 0.087 1.00 0.47 C ATOM 453 O ASP A 35 115.904 14.385 -0.784 1.00 0.88 O ATOM 454 CB ASP A 35 117.458 17.066 0.526 1.00 0.50 C ATOM 455 CG ASP A 35 117.581 18.589 0.585 1.00 0.99 C ATOM 456 OD1 ASP A 35 117.245 19.229 -0.398 1.00 1.75 O ATOM 457 OD2 ASP A 35 118.011 19.090 1.611 1.00 1.61 O ATOM 0 H ASP A 35 115.343 18.407 0.757 1.00 0.42 H new ATOM 0 HA ASP A 35 116.298 16.821 -1.273 1.00 0.45 H new ATOM 0 HB2 ASP A 35 117.457 16.652 1.534 1.00 0.50 H new ATOM 0 HB3 ASP A 35 118.318 16.641 0.008 1.00 0.50 H new ATOM 462 N LEU A 36 115.458 14.900 1.295 1.00 0.29 N ATOM 463 CA LEU A 36 115.114 13.501 1.625 1.00 0.26 C ATOM 464 C LEU A 36 114.336 12.878 0.468 1.00 0.23 C ATOM 465 O LEU A 36 114.710 11.853 -0.067 1.00 0.24 O ATOM 466 CB LEU A 36 114.249 13.528 2.874 1.00 0.27 C ATOM 467 CG LEU A 36 115.057 14.080 4.050 1.00 0.31 C ATOM 468 CD1 LEU A 36 114.304 13.820 5.356 1.00 0.36 C ATOM 469 CD2 LEU A 36 116.419 13.390 4.103 1.00 0.35 C ATOM 0 H LEU A 36 115.377 15.558 2.070 1.00 0.29 H new ATOM 0 HA LEU A 36 116.014 12.909 1.794 1.00 0.26 H new ATOM 0 HB2 LEU A 36 113.368 14.146 2.704 1.00 0.27 H new ATOM 0 HB3 LEU A 36 113.894 12.523 3.104 1.00 0.27 H new ATOM 0 HG LEU A 36 115.198 15.153 3.919 1.00 0.31 H new ATOM 0 HD11 LEU A 36 114.881 14.214 6.193 1.00 0.36 H new ATOM 0 HD12 LEU A 36 113.333 14.313 5.320 1.00 0.36 H new ATOM 0 HD13 LEU A 36 114.161 12.747 5.486 1.00 0.36 H new ATOM 0 HD21 LEU A 36 116.994 13.784 4.941 1.00 0.35 H new ATOM 0 HD22 LEU A 36 116.278 12.317 4.232 1.00 0.35 H new ATOM 0 HD23 LEU A 36 116.958 13.576 3.174 1.00 0.35 H new ATOM 481 N GLN A 37 113.268 13.501 0.068 1.00 0.24 N ATOM 482 CA GLN A 37 112.476 12.959 -1.069 1.00 0.25 C ATOM 483 C GLN A 37 113.382 12.867 -2.299 1.00 0.26 C ATOM 484 O GLN A 37 113.348 11.902 -3.035 1.00 0.27 O ATOM 485 CB GLN A 37 111.301 13.892 -1.367 1.00 0.30 C ATOM 486 CG GLN A 37 110.646 13.483 -2.688 1.00 0.42 C ATOM 487 CD GLN A 37 109.124 13.519 -2.537 1.00 1.16 C ATOM 488 OE1 GLN A 37 108.512 14.558 -2.687 1.00 1.90 O ATOM 489 NE2 GLN A 37 108.483 12.421 -2.243 1.00 1.73 N ATOM 0 H GLN A 37 112.907 14.363 0.478 1.00 0.24 H new ATOM 0 HA GLN A 37 112.091 11.971 -0.816 1.00 0.25 H new ATOM 0 HB2 GLN A 37 110.572 13.846 -0.558 1.00 0.30 H new ATOM 0 HB3 GLN A 37 111.648 14.924 -1.425 1.00 0.30 H new ATOM 0 HG2 GLN A 37 110.959 14.157 -3.485 1.00 0.42 H new ATOM 0 HG3 GLN A 37 110.970 12.482 -2.972 1.00 0.42 H new ATOM 0 HE21 GLN A 37 108.997 11.549 -2.117 1.00 1.73 H new ATOM 0 HE22 GLN A 37 107.468 12.435 -2.139 1.00 1.73 H new ATOM 496 N ASN A 38 114.191 13.868 -2.527 1.00 0.30 N ATOM 497 CA ASN A 38 115.096 13.847 -3.700 1.00 0.35 C ATOM 498 C ASN A 38 115.844 12.515 -3.734 1.00 0.34 C ATOM 499 O ASN A 38 115.922 11.852 -4.749 1.00 0.46 O ATOM 500 CB ASN A 38 116.085 15.022 -3.580 1.00 0.41 C ATOM 501 CG ASN A 38 117.395 14.619 -2.879 1.00 0.44 C ATOM 502 OD1 ASN A 38 117.730 15.149 -1.839 1.00 1.08 O ATOM 503 ND2 ASN A 38 118.178 13.733 -3.434 1.00 1.24 N ATOM 0 H ASN A 38 114.260 14.702 -1.944 1.00 0.30 H new ATOM 0 HA ASN A 38 114.528 13.950 -4.624 1.00 0.35 H new ATOM 0 HB2 ASN A 38 116.312 15.405 -4.575 1.00 0.41 H new ATOM 0 HB3 ASN A 38 115.614 15.834 -3.025 1.00 0.41 H new ATOM 0 HD21 ASN A 38 119.065 13.490 -2.994 1.00 1.24 H new ATOM 0 HD22 ASN A 38 117.902 13.284 -4.308 1.00 1.24 H new ATOM 510 N ALA A 39 116.402 12.135 -2.624 1.00 0.29 N ATOM 511 CA ALA A 39 117.161 10.865 -2.554 1.00 0.29 C ATOM 512 C ALA A 39 116.239 9.689 -2.864 1.00 0.28 C ATOM 513 O ALA A 39 116.657 8.698 -3.422 1.00 0.52 O ATOM 514 CB ALA A 39 117.720 10.718 -1.147 1.00 0.27 C ATOM 0 H ALA A 39 116.363 12.659 -1.750 1.00 0.29 H new ATOM 0 HA ALA A 39 117.971 10.876 -3.283 1.00 0.29 H new ATOM 0 HB1 ALA A 39 118.283 9.788 -1.075 1.00 0.27 H new ATOM 0 HB2 ALA A 39 118.378 11.559 -0.927 1.00 0.27 H new ATOM 0 HB3 ALA A 39 116.900 10.702 -0.429 1.00 0.27 H new ATOM 520 N GLY A 40 114.989 9.786 -2.505 1.00 0.21 N ATOM 521 CA GLY A 40 114.051 8.664 -2.787 1.00 0.18 C ATOM 522 C GLY A 40 113.785 8.599 -4.290 1.00 0.19 C ATOM 523 O GLY A 40 113.565 7.544 -4.848 1.00 0.19 O ATOM 0 H GLY A 40 114.578 10.590 -2.031 1.00 0.21 H new ATOM 0 HA2 GLY A 40 114.476 7.722 -2.440 1.00 0.18 H new ATOM 0 HA3 GLY A 40 113.116 8.811 -2.246 1.00 0.18 H new ATOM 527 N THR A 41 113.811 9.714 -4.963 1.00 0.22 N ATOM 528 CA THR A 41 113.569 9.674 -6.426 1.00 0.25 C ATOM 529 C THR A 41 114.692 8.873 -7.076 1.00 0.24 C ATOM 530 O THR A 41 114.454 7.916 -7.784 1.00 0.27 O ATOM 531 CB THR A 41 113.559 11.088 -7.008 1.00 0.30 C ATOM 532 OG1 THR A 41 112.300 11.696 -6.757 1.00 0.32 O ATOM 533 CG2 THR A 41 113.801 11.003 -8.518 1.00 0.33 C ATOM 0 H THR A 41 113.987 10.638 -4.568 1.00 0.22 H new ATOM 0 HA THR A 41 112.601 9.212 -6.620 1.00 0.25 H new ATOM 0 HB THR A 41 114.342 11.687 -6.543 1.00 0.30 H new ATOM 0 HG1 THR A 41 111.758 11.674 -7.573 1.00 0.32 H new ATOM 0 HG21 THR A 41 113.796 12.006 -8.944 1.00 0.33 H new ATOM 0 HG22 THR A 41 114.767 10.534 -8.706 1.00 0.33 H new ATOM 0 HG23 THR A 41 113.013 10.409 -8.980 1.00 0.33 H new ATOM 538 N GLN A 42 115.915 9.257 -6.846 1.00 0.27 N ATOM 539 CA GLN A 42 117.030 8.516 -7.445 1.00 0.29 C ATOM 540 C GLN A 42 116.926 7.066 -6.986 1.00 0.26 C ATOM 541 O GLN A 42 117.110 6.140 -7.748 1.00 0.28 O ATOM 542 CB GLN A 42 118.334 9.134 -6.958 1.00 0.34 C ATOM 543 CG GLN A 42 118.790 10.217 -7.938 1.00 0.40 C ATOM 544 CD GLN A 42 119.068 11.513 -7.174 1.00 1.21 C ATOM 545 OE1 GLN A 42 118.735 11.630 -6.011 1.00 2.15 O ATOM 546 NE2 GLN A 42 119.669 12.499 -7.782 1.00 1.62 N ATOM 0 H GLN A 42 116.180 10.054 -6.267 1.00 0.27 H new ATOM 0 HA GLN A 42 117.001 8.558 -8.534 1.00 0.29 H new ATOM 0 HB2 GLN A 42 118.196 9.563 -5.966 1.00 0.34 H new ATOM 0 HB3 GLN A 42 119.101 8.365 -6.869 1.00 0.34 H new ATOM 0 HG2 GLN A 42 119.688 9.892 -8.463 1.00 0.40 H new ATOM 0 HG3 GLN A 42 118.022 10.385 -8.693 1.00 0.40 H new ATOM 0 HE21 GLN A 42 119.949 12.402 -8.758 1.00 1.62 H new ATOM 0 HE22 GLN A 42 119.859 13.367 -7.281 1.00 1.62 H new ATOM 553 N LEU A 43 116.601 6.876 -5.738 1.00 0.25 N ATOM 554 CA LEU A 43 116.443 5.506 -5.195 1.00 0.26 C ATOM 555 C LEU A 43 115.672 4.665 -6.214 1.00 0.25 C ATOM 556 O LEU A 43 115.962 3.505 -6.426 1.00 0.32 O ATOM 557 CB LEU A 43 115.672 5.609 -3.867 1.00 0.28 C ATOM 558 CG LEU A 43 114.922 4.311 -3.542 1.00 0.27 C ATOM 559 CD1 LEU A 43 113.626 4.222 -4.350 1.00 0.30 C ATOM 560 CD2 LEU A 43 115.797 3.113 -3.867 1.00 0.28 C ATOM 0 H LEU A 43 116.437 7.625 -5.065 1.00 0.25 H new ATOM 0 HA LEU A 43 117.408 5.032 -5.013 1.00 0.26 H new ATOM 0 HB2 LEU A 43 116.367 5.839 -3.060 1.00 0.28 H new ATOM 0 HB3 LEU A 43 114.963 6.435 -3.922 1.00 0.28 H new ATOM 0 HG LEU A 43 114.679 4.312 -2.479 1.00 0.27 H new ATOM 0 HD11 LEU A 43 113.108 3.295 -4.106 1.00 0.30 H new ATOM 0 HD12 LEU A 43 112.986 5.070 -4.106 1.00 0.30 H new ATOM 0 HD13 LEU A 43 113.859 4.238 -5.415 1.00 0.30 H new ATOM 0 HD21 LEU A 43 115.258 2.195 -3.634 1.00 0.28 H new ATOM 0 HD22 LEU A 43 116.051 3.125 -4.927 1.00 0.28 H new ATOM 0 HD23 LEU A 43 116.710 3.158 -3.274 1.00 0.28 H new ATOM 572 N LYS A 44 114.694 5.248 -6.856 1.00 0.25 N ATOM 573 CA LYS A 44 113.904 4.489 -7.866 1.00 0.32 C ATOM 574 C LYS A 44 114.748 4.275 -9.126 1.00 0.32 C ATOM 575 O LYS A 44 114.743 3.211 -9.713 1.00 0.37 O ATOM 576 CB LYS A 44 112.646 5.281 -8.224 1.00 0.39 C ATOM 577 CG LYS A 44 111.750 4.436 -9.130 1.00 0.88 C ATOM 578 CD LYS A 44 111.128 3.300 -8.317 1.00 1.00 C ATOM 579 CE LYS A 44 110.655 2.198 -9.264 1.00 1.56 C ATOM 580 NZ LYS A 44 111.818 1.672 -10.033 1.00 2.55 N ATOM 0 H LYS A 44 114.409 6.218 -6.723 1.00 0.25 H new ATOM 0 HA LYS A 44 113.622 3.521 -7.453 1.00 0.32 H new ATOM 0 HB2 LYS A 44 112.107 5.557 -7.318 1.00 0.39 H new ATOM 0 HB3 LYS A 44 112.919 6.208 -8.728 1.00 0.39 H new ATOM 0 HG2 LYS A 44 110.967 5.057 -9.566 1.00 0.88 H new ATOM 0 HG3 LYS A 44 112.332 4.029 -9.957 1.00 0.88 H new ATOM 0 HD2 LYS A 44 111.857 2.901 -7.612 1.00 1.00 H new ATOM 0 HD3 LYS A 44 110.290 3.675 -7.730 1.00 1.00 H new ATOM 0 HE2 LYS A 44 110.186 1.393 -8.698 1.00 1.56 H new ATOM 0 HE3 LYS A 44 109.901 2.589 -9.947 1.00 1.56 H new ATOM 0 HZ1 LYS A 44 111.600 0.717 -10.382 1.00 2.55 H new ATOM 0 HZ2 LYS A 44 112.013 2.299 -10.839 1.00 2.55 H new ATOM 0 HZ3 LYS A 44 112.653 1.632 -9.415 1.00 2.55 H new ATOM 594 N ARG A 45 115.470 5.277 -9.547 1.00 0.31 N ATOM 595 CA ARG A 45 116.310 5.128 -10.770 1.00 0.35 C ATOM 596 C ARG A 45 117.245 3.927 -10.604 1.00 0.34 C ATOM 597 O ARG A 45 117.279 3.036 -11.428 1.00 0.43 O ATOM 598 CB ARG A 45 117.140 6.397 -10.975 1.00 0.37 C ATOM 599 CG ARG A 45 116.237 7.521 -11.485 1.00 0.88 C ATOM 600 CD ARG A 45 116.658 8.845 -10.848 1.00 0.96 C ATOM 601 NE ARG A 45 116.791 9.892 -11.909 1.00 1.39 N ATOM 602 CZ ARG A 45 117.472 9.666 -13.003 1.00 1.94 C ATOM 603 NH1 ARG A 45 118.216 8.597 -13.120 1.00 2.43 N ATOM 604 NH2 ARG A 45 117.455 10.547 -13.966 1.00 2.67 N ATOM 0 H ARG A 45 115.515 6.192 -9.098 1.00 0.31 H new ATOM 0 HA ARG A 45 115.667 4.970 -11.636 1.00 0.35 H new ATOM 0 HB2 ARG A 45 117.611 6.692 -10.037 1.00 0.37 H new ATOM 0 HB3 ARG A 45 117.942 6.208 -11.689 1.00 0.37 H new ATOM 0 HG2 ARG A 45 116.304 7.591 -12.571 1.00 0.88 H new ATOM 0 HG3 ARG A 45 115.197 7.304 -11.243 1.00 0.88 H new ATOM 0 HD2 ARG A 45 115.921 9.155 -10.108 1.00 0.96 H new ATOM 0 HD3 ARG A 45 117.605 8.723 -10.323 1.00 0.96 H new ATOM 0 HE ARG A 45 116.342 10.798 -11.777 1.00 1.39 H new ATOM 0 HH11 ARG A 45 118.271 7.927 -12.353 1.00 2.43 H new ATOM 0 HH12 ARG A 45 118.742 8.433 -13.979 1.00 2.43 H new ATOM 0 HH21 ARG A 45 116.913 11.405 -13.863 1.00 2.67 H new ATOM 0 HH22 ARG A 45 117.984 10.377 -14.822 1.00 2.67 H new ATOM 618 N LEU A 46 117.999 3.897 -9.540 1.00 0.29 N ATOM 619 CA LEU A 46 118.924 2.772 -9.304 1.00 0.31 C ATOM 620 C LEU A 46 118.175 1.447 -9.473 1.00 0.34 C ATOM 621 O LEU A 46 118.751 0.437 -9.827 1.00 0.40 O ATOM 622 CB LEU A 46 119.451 2.892 -7.878 1.00 0.32 C ATOM 623 CG LEU A 46 119.879 4.336 -7.593 1.00 0.32 C ATOM 624 CD1 LEU A 46 120.772 4.365 -6.351 1.00 0.63 C ATOM 625 CD2 LEU A 46 120.658 4.892 -8.788 1.00 0.56 C ATOM 0 H LEU A 46 118.008 4.618 -8.819 1.00 0.29 H new ATOM 0 HA LEU A 46 119.749 2.798 -10.016 1.00 0.31 H new ATOM 0 HB2 LEU A 46 118.680 2.587 -7.170 1.00 0.32 H new ATOM 0 HB3 LEU A 46 120.297 2.219 -7.737 1.00 0.32 H new ATOM 0 HG LEU A 46 118.992 4.947 -7.424 1.00 0.32 H new ATOM 0 HD11 LEU A 46 121.078 5.391 -6.146 1.00 0.63 H new ATOM 0 HD12 LEU A 46 120.220 3.974 -5.497 1.00 0.63 H new ATOM 0 HD13 LEU A 46 121.656 3.751 -6.524 1.00 0.63 H new ATOM 0 HD21 LEU A 46 120.960 5.919 -8.580 1.00 0.56 H new ATOM 0 HD22 LEU A 46 121.544 4.281 -8.961 1.00 0.56 H new ATOM 0 HD23 LEU A 46 120.026 4.873 -9.676 1.00 0.56 H new ATOM 637 N VAL A 47 116.895 1.444 -9.222 1.00 0.35 N ATOM 638 CA VAL A 47 116.109 0.188 -9.368 1.00 0.41 C ATOM 639 C VAL A 47 115.811 -0.057 -10.849 1.00 0.40 C ATOM 640 O VAL A 47 115.832 -1.177 -11.319 1.00 0.45 O ATOM 641 CB VAL A 47 114.796 0.317 -8.595 1.00 0.50 C ATOM 642 CG1 VAL A 47 113.908 -0.895 -8.885 1.00 0.93 C ATOM 643 CG2 VAL A 47 115.095 0.381 -7.097 1.00 0.89 C ATOM 0 H VAL A 47 116.359 2.258 -8.922 1.00 0.35 H new ATOM 0 HA VAL A 47 116.682 -0.650 -8.971 1.00 0.41 H new ATOM 0 HB VAL A 47 114.280 1.226 -8.905 1.00 0.50 H new ATOM 0 HG11 VAL A 47 112.973 -0.801 -8.333 1.00 0.93 H new ATOM 0 HG12 VAL A 47 113.696 -0.943 -9.953 1.00 0.93 H new ATOM 0 HG13 VAL A 47 114.422 -1.805 -8.576 1.00 0.93 H new ATOM 0 HG21 VAL A 47 114.161 0.473 -6.543 1.00 0.89 H new ATOM 0 HG22 VAL A 47 115.611 -0.529 -6.790 1.00 0.89 H new ATOM 0 HG23 VAL A 47 115.727 1.244 -6.889 1.00 0.89 H new ATOM 647 N ASP A 48 115.540 0.983 -11.590 1.00 0.43 N ATOM 648 CA ASP A 48 115.250 0.809 -13.041 1.00 0.49 C ATOM 649 C ASP A 48 116.558 0.912 -13.825 1.00 0.48 C ATOM 650 O ASP A 48 116.571 1.220 -15.000 1.00 0.63 O ATOM 651 CB ASP A 48 114.287 1.904 -13.506 1.00 0.58 C ATOM 652 CG ASP A 48 112.989 1.266 -14.003 1.00 1.06 C ATOM 653 OD1 ASP A 48 112.984 0.772 -15.119 1.00 1.55 O ATOM 654 OD2 ASP A 48 112.021 1.282 -13.260 1.00 1.77 O ATOM 0 H ASP A 48 115.507 1.945 -11.253 1.00 0.43 H new ATOM 0 HA ASP A 48 114.793 -0.166 -13.211 1.00 0.49 H new ATOM 0 HB2 ASP A 48 114.076 2.590 -12.686 1.00 0.58 H new ATOM 0 HB3 ASP A 48 114.744 2.491 -14.303 1.00 0.58 H new ATOM 659 N THR A 49 117.661 0.661 -13.176 1.00 0.45 N ATOM 660 CA THR A 49 118.976 0.748 -13.866 1.00 0.49 C ATOM 661 C THR A 49 119.694 -0.601 -13.766 1.00 0.49 C ATOM 662 O THR A 49 120.749 -0.798 -14.335 1.00 0.71 O ATOM 663 CB THR A 49 119.817 1.832 -13.189 1.00 0.49 C ATOM 664 OG1 THR A 49 119.339 2.031 -11.869 1.00 0.60 O ATOM 665 CG2 THR A 49 119.701 3.137 -13.976 1.00 0.69 C ATOM 0 H THR A 49 117.707 0.398 -12.192 1.00 0.45 H new ATOM 0 HA THR A 49 118.830 0.998 -14.917 1.00 0.49 H new ATOM 0 HB THR A 49 120.862 1.522 -13.160 1.00 0.49 H new ATOM 0 HG1 THR A 49 118.517 2.564 -11.896 1.00 0.60 H new ATOM 0 HG21 THR A 49 120.301 3.908 -13.492 1.00 0.69 H new ATOM 0 HG22 THR A 49 120.061 2.982 -14.993 1.00 0.69 H new ATOM 0 HG23 THR A 49 118.658 3.453 -14.005 1.00 0.69 H new ATOM 670 N LEU A 50 119.128 -1.532 -13.046 1.00 0.44 N ATOM 671 CA LEU A 50 119.773 -2.869 -12.907 1.00 0.44 C ATOM 672 C LEU A 50 119.018 -3.888 -13.767 1.00 0.54 C ATOM 673 O LEU A 50 117.900 -3.643 -14.175 1.00 0.65 O ATOM 674 CB LEU A 50 119.726 -3.301 -11.440 1.00 0.54 C ATOM 675 CG LEU A 50 120.905 -2.683 -10.688 1.00 0.59 C ATOM 676 CD1 LEU A 50 120.611 -2.684 -9.187 1.00 0.75 C ATOM 677 CD2 LEU A 50 122.169 -3.503 -10.959 1.00 0.85 C ATOM 0 H LEU A 50 118.245 -1.424 -12.547 1.00 0.44 H new ATOM 0 HA LEU A 50 120.810 -2.814 -13.237 1.00 0.44 H new ATOM 0 HB2 LEU A 50 118.786 -2.985 -10.987 1.00 0.54 H new ATOM 0 HB3 LEU A 50 119.765 -4.388 -11.369 1.00 0.54 H new ATOM 0 HG LEU A 50 121.055 -1.658 -11.028 1.00 0.59 H new ATOM 0 HD11 LEU A 50 121.452 -2.243 -8.651 1.00 0.75 H new ATOM 0 HD12 LEU A 50 119.711 -2.101 -8.992 1.00 0.75 H new ATOM 0 HD13 LEU A 50 120.461 -3.708 -8.846 1.00 0.75 H new ATOM 0 HD21 LEU A 50 123.010 -3.063 -10.423 1.00 0.85 H new ATOM 0 HD22 LEU A 50 122.018 -4.527 -10.619 1.00 0.85 H new ATOM 0 HD23 LEU A 50 122.380 -3.503 -12.028 1.00 0.85 H new ATOM 689 N PRO A 51 119.654 -5.006 -14.017 1.00 0.56 N ATOM 690 CA PRO A 51 119.058 -6.082 -14.829 1.00 0.73 C ATOM 691 C PRO A 51 117.746 -6.559 -14.197 1.00 0.86 C ATOM 692 O PRO A 51 117.189 -5.908 -13.336 1.00 1.65 O ATOM 693 CB PRO A 51 120.105 -7.204 -14.825 1.00 0.72 C ATOM 694 CG PRO A 51 121.331 -6.701 -14.019 1.00 0.57 C ATOM 695 CD PRO A 51 121.010 -5.286 -13.512 1.00 0.49 C ATOM 0 HA PRO A 51 118.817 -5.755 -15.840 1.00 0.73 H new ATOM 0 HB2 PRO A 51 119.695 -8.108 -14.374 1.00 0.72 H new ATOM 0 HB3 PRO A 51 120.396 -7.460 -15.844 1.00 0.72 H new ATOM 0 HG2 PRO A 51 121.539 -7.369 -13.183 1.00 0.57 H new ATOM 0 HG3 PRO A 51 122.222 -6.689 -14.646 1.00 0.57 H new ATOM 0 HD2 PRO A 51 121.045 -5.238 -12.424 1.00 0.49 H new ATOM 0 HD3 PRO A 51 121.730 -4.558 -13.886 1.00 0.49 H new ATOM 703 N GLN A 52 117.248 -7.688 -14.622 1.00 0.64 N ATOM 704 CA GLN A 52 115.971 -8.202 -14.050 1.00 0.63 C ATOM 705 C GLN A 52 116.265 -9.047 -12.809 1.00 0.53 C ATOM 706 O GLN A 52 115.635 -8.897 -11.781 1.00 0.64 O ATOM 707 CB GLN A 52 115.255 -9.062 -15.093 1.00 0.81 C ATOM 708 CG GLN A 52 114.536 -8.157 -16.096 1.00 1.22 C ATOM 709 CD GLN A 52 113.713 -9.015 -17.058 1.00 1.59 C ATOM 710 OE1 GLN A 52 113.784 -8.841 -18.259 1.00 1.94 O ATOM 711 NE2 GLN A 52 112.930 -9.942 -16.579 1.00 2.32 N ATOM 0 H GLN A 52 117.670 -8.277 -15.340 1.00 0.64 H new ATOM 0 HA GLN A 52 115.336 -7.361 -13.772 1.00 0.63 H new ATOM 0 HB2 GLN A 52 115.973 -9.698 -15.611 1.00 0.81 H new ATOM 0 HB3 GLN A 52 114.539 -9.723 -14.605 1.00 0.81 H new ATOM 0 HG2 GLN A 52 113.887 -7.457 -15.570 1.00 1.22 H new ATOM 0 HG3 GLN A 52 115.262 -7.563 -16.652 1.00 1.22 H new ATOM 0 HE21 GLN A 52 112.870 -10.088 -15.571 1.00 2.32 H new ATOM 0 HE22 GLN A 52 112.378 -10.520 -17.212 1.00 2.32 H new ATOM 718 N GLU A 53 117.213 -9.939 -12.897 1.00 0.45 N ATOM 719 CA GLU A 53 117.540 -10.795 -11.721 1.00 0.40 C ATOM 720 C GLU A 53 117.967 -9.912 -10.548 1.00 0.36 C ATOM 721 O GLU A 53 117.637 -10.185 -9.413 1.00 0.35 O ATOM 722 CB GLU A 53 118.677 -11.752 -12.084 1.00 0.45 C ATOM 723 CG GLU A 53 118.099 -13.129 -12.417 1.00 0.68 C ATOM 724 CD GLU A 53 119.006 -13.832 -13.428 1.00 1.22 C ATOM 725 OE1 GLU A 53 120.133 -14.135 -13.074 1.00 1.98 O ATOM 726 OE2 GLU A 53 118.557 -14.057 -14.541 1.00 1.72 O ATOM 0 H GLU A 53 117.775 -10.112 -13.731 1.00 0.45 H new ATOM 0 HA GLU A 53 116.660 -11.372 -11.437 1.00 0.40 H new ATOM 0 HB2 GLU A 53 119.235 -11.364 -12.936 1.00 0.45 H new ATOM 0 HB3 GLU A 53 119.379 -11.832 -11.254 1.00 0.45 H new ATOM 0 HG2 GLU A 53 118.014 -13.728 -11.511 1.00 0.68 H new ATOM 0 HG3 GLU A 53 117.094 -13.024 -12.825 1.00 0.68 H new ATOM 733 N THR A 54 118.688 -8.852 -10.801 1.00 0.37 N ATOM 734 CA THR A 54 119.102 -7.970 -9.674 1.00 0.36 C ATOM 735 C THR A 54 117.852 -7.341 -9.067 1.00 0.37 C ATOM 736 O THR A 54 117.821 -6.995 -7.905 1.00 0.38 O ATOM 737 CB THR A 54 120.041 -6.875 -10.166 1.00 0.39 C ATOM 738 OG1 THR A 54 120.902 -7.400 -11.167 1.00 0.45 O ATOM 739 CG2 THR A 54 120.871 -6.354 -8.988 1.00 0.35 C ATOM 0 H THR A 54 119.004 -8.562 -11.727 1.00 0.37 H new ATOM 0 HA THR A 54 119.630 -8.561 -8.926 1.00 0.36 H new ATOM 0 HB THR A 54 119.459 -6.056 -10.590 1.00 0.39 H new ATOM 0 HG1 THR A 54 121.804 -7.037 -11.046 1.00 0.45 H new ATOM 0 HG21 THR A 54 121.544 -5.570 -9.336 1.00 0.35 H new ATOM 0 HG22 THR A 54 120.206 -5.949 -8.225 1.00 0.35 H new ATOM 0 HG23 THR A 54 121.454 -7.172 -8.564 1.00 0.35 H new ATOM 744 N ARG A 55 116.811 -7.207 -9.844 1.00 0.39 N ATOM 745 CA ARG A 55 115.555 -6.624 -9.303 1.00 0.41 C ATOM 746 C ARG A 55 114.907 -7.664 -8.392 1.00 0.39 C ATOM 747 O ARG A 55 114.767 -7.459 -7.203 1.00 0.41 O ATOM 748 CB ARG A 55 114.606 -6.278 -10.453 1.00 0.46 C ATOM 749 CG ARG A 55 114.535 -4.758 -10.617 1.00 1.27 C ATOM 750 CD ARG A 55 113.964 -4.419 -11.995 1.00 1.59 C ATOM 751 NE ARG A 55 112.475 -4.449 -11.936 1.00 1.97 N ATOM 752 CZ ARG A 55 111.770 -3.915 -12.898 1.00 2.38 C ATOM 753 NH1 ARG A 55 112.365 -3.354 -13.916 1.00 2.65 N ATOM 754 NH2 ARG A 55 110.466 -3.944 -12.841 1.00 3.14 N ATOM 0 H ARG A 55 116.778 -7.476 -10.827 1.00 0.39 H new ATOM 0 HA ARG A 55 115.770 -5.713 -8.745 1.00 0.41 H new ATOM 0 HB2 ARG A 55 114.955 -6.738 -11.377 1.00 0.46 H new ATOM 0 HB3 ARG A 55 113.613 -6.680 -10.252 1.00 0.46 H new ATOM 0 HG2 ARG A 55 113.909 -4.326 -9.836 1.00 1.27 H new ATOM 0 HG3 ARG A 55 115.528 -4.323 -10.506 1.00 1.27 H new ATOM 0 HD2 ARG A 55 114.306 -3.433 -12.310 1.00 1.59 H new ATOM 0 HD3 ARG A 55 114.324 -5.133 -12.736 1.00 1.59 H new ATOM 0 HE ARG A 55 112.006 -4.887 -11.143 1.00 1.97 H new ATOM 0 HH11 ARG A 55 113.384 -3.332 -13.962 1.00 2.65 H new ATOM 0 HH12 ARG A 55 111.811 -2.938 -14.665 1.00 2.65 H new ATOM 0 HH21 ARG A 55 110.000 -4.383 -12.047 1.00 3.14 H new ATOM 0 HH22 ARG A 55 109.913 -3.528 -13.591 1.00 3.14 H new ATOM 768 N ILE A 56 114.536 -8.795 -8.934 1.00 0.39 N ATOM 769 CA ILE A 56 113.929 -9.851 -8.082 1.00 0.39 C ATOM 770 C ILE A 56 114.931 -10.233 -7.010 1.00 0.34 C ATOM 771 O ILE A 56 114.597 -10.885 -6.057 1.00 0.34 O ATOM 772 CB ILE A 56 113.612 -11.109 -8.897 1.00 0.42 C ATOM 773 CG1 ILE A 56 112.363 -10.865 -9.748 1.00 0.47 C ATOM 774 CG2 ILE A 56 113.355 -12.282 -7.925 1.00 0.42 C ATOM 775 CD1 ILE A 56 112.695 -11.108 -11.222 1.00 0.64 C ATOM 0 H ILE A 56 114.628 -9.029 -9.923 1.00 0.39 H new ATOM 0 HA ILE A 56 113.004 -9.462 -7.655 1.00 0.39 H new ATOM 0 HB ILE A 56 114.450 -11.348 -9.551 1.00 0.42 H new ATOM 0 HG12 ILE A 56 111.559 -11.529 -9.431 1.00 0.47 H new ATOM 0 HG13 ILE A 56 112.008 -9.844 -9.608 1.00 0.47 H new ATOM 0 HG21 ILE A 56 113.128 -13.183 -8.494 1.00 0.42 H new ATOM 0 HG22 ILE A 56 114.243 -12.451 -7.316 1.00 0.42 H new ATOM 0 HG23 ILE A 56 112.512 -12.040 -7.278 1.00 0.42 H new ATOM 0 HD11 ILE A 56 111.806 -10.934 -11.829 1.00 0.64 H new ATOM 0 HD12 ILE A 56 113.486 -10.426 -11.534 1.00 0.64 H new ATOM 0 HD13 ILE A 56 113.030 -12.137 -11.355 1.00 0.64 H new ATOM 782 N ASN A 57 116.163 -9.863 -7.167 1.00 0.31 N ATOM 783 CA ASN A 57 117.155 -10.238 -6.156 1.00 0.28 C ATOM 784 C ASN A 57 117.006 -9.309 -4.954 1.00 0.26 C ATOM 785 O ASN A 57 116.650 -9.743 -3.894 1.00 0.26 O ATOM 786 CB ASN A 57 118.540 -10.124 -6.766 1.00 0.27 C ATOM 787 CG ASN A 57 118.874 -11.413 -7.519 1.00 0.38 C ATOM 788 OD1 ASN A 57 120.028 -11.759 -7.672 1.00 0.64 O ATOM 789 ND2 ASN A 57 117.905 -12.143 -7.999 1.00 0.35 N ATOM 0 H ASN A 57 116.518 -9.318 -7.953 1.00 0.31 H new ATOM 0 HA ASN A 57 117.004 -11.265 -5.823 1.00 0.28 H new ATOM 0 HB2 ASN A 57 118.581 -9.273 -7.445 1.00 0.27 H new ATOM 0 HB3 ASN A 57 119.279 -9.944 -5.985 1.00 0.27 H new ATOM 0 HD21 ASN A 57 118.117 -13.004 -8.503 1.00 0.35 H new ATOM 0 HD22 ASN A 57 116.936 -11.852 -7.870 1.00 0.35 H new ATOM 796 N ILE A 58 117.261 -8.038 -5.106 1.00 0.26 N ATOM 797 CA ILE A 58 117.106 -7.112 -3.952 1.00 0.26 C ATOM 798 C ILE A 58 115.693 -7.255 -3.368 1.00 0.29 C ATOM 799 O ILE A 58 115.473 -6.994 -2.208 1.00 0.32 O ATOM 800 CB ILE A 58 117.336 -5.654 -4.409 1.00 0.28 C ATOM 801 CG1 ILE A 58 118.833 -5.307 -4.466 1.00 0.31 C ATOM 802 CG2 ILE A 58 116.667 -4.693 -3.430 1.00 0.32 C ATOM 803 CD1 ILE A 58 119.620 -6.118 -3.436 1.00 0.26 C ATOM 0 H ILE A 58 117.569 -7.604 -5.976 1.00 0.26 H new ATOM 0 HA ILE A 58 117.843 -7.364 -3.189 1.00 0.26 H new ATOM 0 HB ILE A 58 116.908 -5.556 -5.407 1.00 0.28 H new ATOM 0 HG12 ILE A 58 119.219 -5.508 -5.465 1.00 0.31 H new ATOM 0 HG13 ILE A 58 118.971 -4.242 -4.279 1.00 0.31 H new ATOM 0 HG21 ILE A 58 116.832 -3.667 -3.757 1.00 0.32 H new ATOM 0 HG22 ILE A 58 115.596 -4.895 -3.396 1.00 0.32 H new ATOM 0 HG23 ILE A 58 117.094 -4.830 -2.436 1.00 0.32 H new ATOM 0 HD11 ILE A 58 120.676 -5.855 -3.496 1.00 0.26 H new ATOM 0 HD12 ILE A 58 119.247 -5.896 -2.436 1.00 0.26 H new ATOM 0 HD13 ILE A 58 119.499 -7.182 -3.641 1.00 0.26 H new ATOM 810 N VAL A 59 114.735 -7.667 -4.150 1.00 0.32 N ATOM 811 CA VAL A 59 113.358 -7.829 -3.609 1.00 0.36 C ATOM 812 C VAL A 59 113.290 -9.178 -2.900 1.00 0.36 C ATOM 813 O VAL A 59 112.704 -9.328 -1.846 1.00 0.39 O ATOM 814 CB VAL A 59 112.360 -7.821 -4.765 1.00 0.41 C ATOM 815 CG1 VAL A 59 110.945 -7.904 -4.208 1.00 0.49 C ATOM 816 CG2 VAL A 59 112.510 -6.534 -5.578 1.00 0.40 C ATOM 0 H VAL A 59 114.846 -7.898 -5.137 1.00 0.32 H new ATOM 0 HA VAL A 59 113.119 -7.019 -2.920 1.00 0.36 H new ATOM 0 HB VAL A 59 112.554 -8.676 -5.412 1.00 0.41 H new ATOM 0 HG11 VAL A 59 110.229 -7.899 -5.030 1.00 0.49 H new ATOM 0 HG12 VAL A 59 110.833 -8.825 -3.635 1.00 0.49 H new ATOM 0 HG13 VAL A 59 110.759 -7.048 -3.559 1.00 0.49 H new ATOM 0 HG21 VAL A 59 111.794 -6.537 -6.400 1.00 0.40 H new ATOM 0 HG22 VAL A 59 112.321 -5.674 -4.936 1.00 0.40 H new ATOM 0 HG23 VAL A 59 113.522 -6.472 -5.978 1.00 0.40 H new ATOM 820 N LYS A 60 113.916 -10.148 -3.488 1.00 0.33 N ATOM 821 CA LYS A 60 113.959 -11.516 -2.910 1.00 0.34 C ATOM 822 C LYS A 60 115.200 -11.612 -2.010 1.00 0.29 C ATOM 823 O LYS A 60 115.562 -12.666 -1.526 1.00 0.28 O ATOM 824 CB LYS A 60 114.062 -12.506 -4.076 1.00 0.35 C ATOM 825 CG LYS A 60 112.817 -12.378 -4.956 1.00 0.41 C ATOM 826 CD LYS A 60 111.580 -12.695 -4.121 1.00 0.48 C ATOM 827 CE LYS A 60 110.430 -13.106 -5.044 1.00 0.56 C ATOM 828 NZ LYS A 60 109.169 -13.199 -4.255 1.00 1.49 N ATOM 0 H LYS A 60 114.415 -10.049 -4.372 1.00 0.33 H new ATOM 0 HA LYS A 60 113.071 -11.739 -2.318 1.00 0.34 H new ATOM 0 HB2 LYS A 60 114.959 -12.304 -4.662 1.00 0.35 H new ATOM 0 HB3 LYS A 60 114.151 -13.524 -3.697 1.00 0.35 H new ATOM 0 HG2 LYS A 60 112.747 -11.370 -5.364 1.00 0.41 H new ATOM 0 HG3 LYS A 60 112.884 -13.061 -5.803 1.00 0.41 H new ATOM 0 HD2 LYS A 60 111.800 -13.498 -3.417 1.00 0.48 H new ATOM 0 HD3 LYS A 60 111.293 -11.824 -3.532 1.00 0.48 H new ATOM 0 HE2 LYS A 60 110.316 -12.378 -5.847 1.00 0.56 H new ATOM 0 HE3 LYS A 60 110.650 -14.065 -5.512 1.00 0.56 H new ATOM 0 HZ1 LYS A 60 108.387 -13.478 -4.882 1.00 1.49 H new ATOM 0 HZ2 LYS A 60 109.281 -13.909 -3.504 1.00 1.49 H new ATOM 0 HZ3 LYS A 60 108.957 -12.274 -3.828 1.00 1.49 H new ATOM 842 N LEU A 61 115.859 -10.498 -1.812 1.00 0.27 N ATOM 843 CA LEU A 61 117.089 -10.442 -0.987 1.00 0.24 C ATOM 844 C LEU A 61 116.777 -9.684 0.293 1.00 0.27 C ATOM 845 O LEU A 61 117.143 -10.089 1.378 1.00 0.29 O ATOM 846 CB LEU A 61 118.121 -9.669 -1.812 1.00 0.20 C ATOM 847 CG LEU A 61 119.395 -9.294 -1.036 1.00 0.17 C ATOM 848 CD1 LEU A 61 119.378 -7.799 -0.795 1.00 0.24 C ATOM 849 CD2 LEU A 61 119.506 -10.020 0.310 1.00 0.24 C ATOM 0 H LEU A 61 115.579 -9.599 -2.205 1.00 0.27 H new ATOM 0 HA LEU A 61 117.460 -11.434 -0.727 1.00 0.24 H new ATOM 0 HB2 LEU A 61 118.400 -10.269 -2.678 1.00 0.20 H new ATOM 0 HB3 LEU A 61 117.658 -8.758 -2.191 1.00 0.20 H new ATOM 0 HG LEU A 61 120.255 -9.597 -1.633 1.00 0.17 H new ATOM 0 HD11 LEU A 61 120.273 -7.509 -0.245 1.00 0.24 H new ATOM 0 HD12 LEU A 61 119.354 -7.277 -1.751 1.00 0.24 H new ATOM 0 HD13 LEU A 61 118.494 -7.534 -0.215 1.00 0.24 H new ATOM 0 HD21 LEU A 61 120.424 -9.716 0.813 1.00 0.24 H new ATOM 0 HD22 LEU A 61 118.649 -9.764 0.933 1.00 0.24 H new ATOM 0 HD23 LEU A 61 119.524 -11.097 0.142 1.00 0.24 H new ATOM 861 N THR A 62 116.110 -8.577 0.169 1.00 0.32 N ATOM 862 CA THR A 62 115.785 -7.782 1.368 1.00 0.38 C ATOM 863 C THR A 62 114.992 -8.654 2.344 1.00 0.45 C ATOM 864 O THR A 62 114.884 -8.356 3.517 1.00 0.60 O ATOM 865 CB THR A 62 114.933 -6.571 0.973 1.00 0.41 C ATOM 866 OG1 THR A 62 115.620 -5.795 0.007 1.00 0.37 O ATOM 867 CG2 THR A 62 114.651 -5.717 2.211 1.00 0.49 C ATOM 0 H THR A 62 115.777 -8.191 -0.714 1.00 0.32 H new ATOM 0 HA THR A 62 116.707 -7.438 1.836 1.00 0.38 H new ATOM 0 HB THR A 62 113.991 -6.918 0.549 1.00 0.41 H new ATOM 0 HG1 THR A 62 115.288 -6.017 -0.888 1.00 0.37 H new ATOM 0 HG21 THR A 62 114.045 -4.856 1.929 1.00 0.49 H new ATOM 0 HG22 THR A 62 114.114 -6.313 2.949 1.00 0.49 H new ATOM 0 HG23 THR A 62 115.593 -5.373 2.638 1.00 0.49 H new ATOM 872 N GLU A 63 114.430 -9.729 1.863 1.00 0.52 N ATOM 873 CA GLU A 63 113.643 -10.621 2.757 1.00 0.61 C ATOM 874 C GLU A 63 114.602 -11.549 3.498 1.00 0.58 C ATOM 875 O GLU A 63 114.469 -11.781 4.684 1.00 0.78 O ATOM 876 CB GLU A 63 112.669 -11.455 1.921 1.00 0.75 C ATOM 877 CG GLU A 63 111.476 -10.590 1.510 1.00 1.06 C ATOM 878 CD GLU A 63 110.237 -11.473 1.348 1.00 1.64 C ATOM 879 OE1 GLU A 63 109.586 -11.735 2.345 1.00 2.39 O ATOM 880 OE2 GLU A 63 109.962 -11.872 0.229 1.00 2.08 O ATOM 0 H GLU A 63 114.483 -10.027 0.889 1.00 0.52 H new ATOM 0 HA GLU A 63 113.079 -10.022 3.473 1.00 0.61 H new ATOM 0 HB2 GLU A 63 113.173 -11.842 1.035 1.00 0.75 H new ATOM 0 HB3 GLU A 63 112.326 -12.316 2.495 1.00 0.75 H new ATOM 0 HG2 GLU A 63 111.293 -9.823 2.262 1.00 1.06 H new ATOM 0 HG3 GLU A 63 111.693 -10.074 0.575 1.00 1.06 H new ATOM 887 N LYS A 64 115.575 -12.076 2.808 1.00 0.51 N ATOM 888 CA LYS A 64 116.550 -12.982 3.470 1.00 0.56 C ATOM 889 C LYS A 64 117.376 -12.177 4.474 1.00 0.51 C ATOM 890 O LYS A 64 117.857 -12.702 5.459 1.00 0.67 O ATOM 891 CB LYS A 64 117.477 -13.593 2.417 1.00 0.68 C ATOM 892 CG LYS A 64 117.171 -15.085 2.272 1.00 0.93 C ATOM 893 CD LYS A 64 116.216 -15.298 1.096 1.00 0.97 C ATOM 894 CE LYS A 64 116.325 -16.743 0.604 1.00 1.02 C ATOM 895 NZ LYS A 64 116.078 -17.675 1.741 1.00 1.64 N ATOM 0 H LYS A 64 115.736 -11.917 1.813 1.00 0.51 H new ATOM 0 HA LYS A 64 116.019 -13.781 3.987 1.00 0.56 H new ATOM 0 HB2 LYS A 64 117.341 -13.088 1.460 1.00 0.68 H new ATOM 0 HB3 LYS A 64 118.518 -13.451 2.707 1.00 0.68 H new ATOM 0 HG2 LYS A 64 118.094 -15.642 2.110 1.00 0.93 H new ATOM 0 HG3 LYS A 64 116.725 -15.467 3.190 1.00 0.93 H new ATOM 0 HD2 LYS A 64 115.192 -15.083 1.402 1.00 0.97 H new ATOM 0 HD3 LYS A 64 116.458 -14.608 0.288 1.00 0.97 H new ATOM 0 HE2 LYS A 64 115.602 -16.923 -0.191 1.00 1.02 H new ATOM 0 HE3 LYS A 64 117.314 -16.921 0.182 1.00 1.02 H new ATOM 0 HZ1 LYS A 64 115.833 -18.616 1.372 1.00 1.64 H new ATOM 0 HZ2 LYS A 64 116.936 -17.745 2.325 1.00 1.64 H new ATOM 0 HZ3 LYS A 64 115.293 -17.315 2.320 1.00 1.64 H new ATOM 909 N ILE A 65 117.543 -10.903 4.235 1.00 0.40 N ATOM 910 CA ILE A 65 118.334 -10.070 5.179 1.00 0.48 C ATOM 911 C ILE A 65 117.446 -9.635 6.346 1.00 0.55 C ATOM 912 O ILE A 65 117.848 -9.669 7.492 1.00 0.70 O ATOM 913 CB ILE A 65 118.859 -8.837 4.447 1.00 0.53 C ATOM 914 CG1 ILE A 65 119.910 -8.140 5.312 1.00 0.93 C ATOM 915 CG2 ILE A 65 117.703 -7.881 4.181 1.00 0.51 C ATOM 916 CD1 ILE A 65 120.187 -6.743 4.755 1.00 0.71 C ATOM 0 H ILE A 65 117.166 -10.407 3.428 1.00 0.40 H new ATOM 0 HA ILE A 65 119.173 -10.650 5.563 1.00 0.48 H new ATOM 0 HB ILE A 65 119.310 -9.137 3.501 1.00 0.53 H new ATOM 0 HG12 ILE A 65 119.560 -8.069 6.342 1.00 0.93 H new ATOM 0 HG13 ILE A 65 120.829 -8.725 5.328 1.00 0.93 H new ATOM 0 HG21 ILE A 65 118.073 -6.999 3.658 1.00 0.51 H new ATOM 0 HG22 ILE A 65 116.953 -8.379 3.566 1.00 0.51 H new ATOM 0 HG23 ILE A 65 117.254 -7.580 5.128 1.00 0.51 H new ATOM 0 HD11 ILE A 65 120.936 -6.247 5.372 1.00 0.71 H new ATOM 0 HD12 ILE A 65 120.556 -6.825 3.733 1.00 0.71 H new ATOM 0 HD13 ILE A 65 119.267 -6.159 4.763 1.00 0.71 H new ATOM 923 N LEU A 66 116.246 -9.217 6.059 1.00 0.52 N ATOM 924 CA LEU A 66 115.331 -8.766 7.128 1.00 0.66 C ATOM 925 C LEU A 66 114.498 -9.945 7.636 1.00 0.87 C ATOM 926 O LEU A 66 114.697 -10.429 8.732 1.00 1.41 O ATOM 927 CB LEU A 66 114.422 -7.699 6.535 1.00 0.68 C ATOM 928 CG LEU A 66 115.059 -6.326 6.739 1.00 0.62 C ATOM 929 CD1 LEU A 66 114.981 -5.528 5.438 1.00 0.89 C ATOM 930 CD2 LEU A 66 114.308 -5.575 7.837 1.00 1.22 C ATOM 0 H LEU A 66 115.861 -9.170 5.116 1.00 0.52 H new ATOM 0 HA LEU A 66 115.894 -8.362 7.970 1.00 0.66 H new ATOM 0 HB2 LEU A 66 114.266 -7.887 5.473 1.00 0.68 H new ATOM 0 HB3 LEU A 66 113.442 -7.733 7.012 1.00 0.68 H new ATOM 0 HG LEU A 66 116.102 -6.451 7.028 1.00 0.62 H new ATOM 0 HD11 LEU A 66 115.436 -4.548 5.584 1.00 0.89 H new ATOM 0 HD12 LEU A 66 115.514 -6.062 4.651 1.00 0.89 H new ATOM 0 HD13 LEU A 66 113.937 -5.404 5.149 1.00 0.89 H new ATOM 0 HD21 LEU A 66 114.762 -4.595 7.983 1.00 1.22 H new ATOM 0 HD22 LEU A 66 113.265 -5.452 7.546 1.00 1.22 H new ATOM 0 HD23 LEU A 66 114.361 -6.142 8.767 1.00 1.22 H new ATOM 942 N THR A 67 113.563 -10.408 6.852 1.00 1.17 N ATOM 943 CA THR A 67 112.719 -11.553 7.296 1.00 1.32 C ATOM 944 C THR A 67 113.422 -12.868 6.955 1.00 1.31 C ATOM 945 O THR A 67 112.890 -13.701 6.248 1.00 1.75 O ATOM 946 CB THR A 67 111.364 -11.497 6.586 1.00 1.42 C ATOM 947 OG1 THR A 67 110.569 -12.598 7.001 1.00 1.87 O ATOM 948 CG2 THR A 67 111.575 -11.558 5.073 1.00 1.55 C ATOM 0 H THR A 67 113.347 -10.043 5.924 1.00 1.17 H new ATOM 0 HA THR A 67 112.565 -11.493 8.373 1.00 1.32 H new ATOM 0 HB THR A 67 110.858 -10.566 6.841 1.00 1.42 H new ATOM 0 HG1 THR A 67 111.028 -13.435 6.779 1.00 1.87 H new ATOM 0 HG21 THR A 67 110.609 -11.518 4.569 1.00 1.55 H new ATOM 0 HG22 THR A 67 112.185 -10.712 4.756 1.00 1.55 H new ATOM 0 HG23 THR A 67 112.081 -12.488 4.813 1.00 1.55 H new ATOM 953 N SER A 68 114.612 -13.061 7.453 1.00 1.41 N ATOM 954 CA SER A 68 115.347 -14.323 7.159 1.00 1.44 C ATOM 955 C SER A 68 114.684 -15.482 7.915 1.00 1.58 C ATOM 956 O SER A 68 114.699 -15.508 9.130 1.00 1.53 O ATOM 957 CB SER A 68 116.798 -14.181 7.622 1.00 1.45 C ATOM 958 OG SER A 68 116.898 -14.585 8.981 1.00 1.65 O ATOM 0 H SER A 68 115.107 -12.399 8.051 1.00 1.41 H new ATOM 0 HA SER A 68 115.322 -14.522 6.088 1.00 1.44 H new ATOM 0 HB2 SER A 68 117.452 -14.792 7.000 1.00 1.45 H new ATOM 0 HB3 SER A 68 117.128 -13.148 7.512 1.00 1.45 H new ATOM 0 HG SER A 68 116.024 -14.492 9.415 1.00 1.65 H new ATOM 964 N PRO A 69 114.119 -16.410 7.179 1.00 2.18 N ATOM 965 CA PRO A 69 113.446 -17.576 7.777 1.00 2.46 C ATOM 966 C PRO A 69 114.438 -18.385 8.618 1.00 2.26 C ATOM 967 O PRO A 69 115.470 -17.890 9.025 1.00 2.50 O ATOM 968 CB PRO A 69 112.950 -18.401 6.582 1.00 3.40 C ATOM 969 CG PRO A 69 113.362 -17.653 5.289 1.00 3.74 C ATOM 970 CD PRO A 69 114.105 -16.374 5.706 1.00 2.90 C ATOM 0 HA PRO A 69 112.630 -17.290 8.441 1.00 2.46 H new ATOM 0 HB2 PRO A 69 113.385 -19.400 6.601 1.00 3.40 H new ATOM 0 HB3 PRO A 69 111.868 -18.523 6.625 1.00 3.40 H new ATOM 0 HG2 PRO A 69 114.002 -18.282 4.670 1.00 3.74 H new ATOM 0 HG3 PRO A 69 112.483 -17.408 4.693 1.00 3.74 H new ATOM 0 HD2 PRO A 69 115.117 -16.355 5.301 1.00 2.90 H new ATOM 0 HD3 PRO A 69 113.597 -15.483 5.337 1.00 2.90 H new ATOM 978 N LEU A 70 114.132 -19.626 8.883 1.00 2.59 N ATOM 979 CA LEU A 70 115.058 -20.463 9.697 1.00 2.92 C ATOM 980 C LEU A 70 115.232 -19.834 11.081 1.00 3.51 C ATOM 981 O LEU A 70 114.513 -18.929 11.456 1.00 4.10 O ATOM 982 CB LEU A 70 116.417 -20.545 8.999 1.00 3.40 C ATOM 983 CG LEU A 70 116.300 -21.433 7.759 1.00 3.91 C ATOM 984 CD1 LEU A 70 115.796 -20.600 6.579 1.00 4.48 C ATOM 985 CD2 LEU A 70 117.674 -22.016 7.419 1.00 4.71 C ATOM 0 H LEU A 70 113.282 -20.096 8.571 1.00 2.59 H new ATOM 0 HA LEU A 70 114.643 -21.465 9.804 1.00 2.92 H new ATOM 0 HB2 LEU A 70 116.753 -19.548 8.715 1.00 3.40 H new ATOM 0 HB3 LEU A 70 117.164 -20.951 9.681 1.00 3.40 H new ATOM 0 HG LEU A 70 115.598 -22.243 7.958 1.00 3.91 H new ATOM 0 HD11 LEU A 70 115.713 -21.233 5.696 1.00 4.48 H new ATOM 0 HD12 LEU A 70 114.818 -20.183 6.820 1.00 4.48 H new ATOM 0 HD13 LEU A 70 116.497 -19.790 6.380 1.00 4.48 H new ATOM 0 HD21 LEU A 70 117.592 -22.649 6.535 1.00 4.71 H new ATOM 0 HD22 LEU A 70 118.374 -21.205 7.220 1.00 4.71 H new ATOM 0 HD23 LEU A 70 118.035 -22.610 8.259 1.00 4.71 H new ATOM 997 N CYS A 71 116.181 -20.305 11.843 1.00 3.92 N ATOM 998 CA CYS A 71 116.399 -19.733 13.201 1.00 4.97 C ATOM 999 C CYS A 71 116.365 -18.205 13.122 1.00 5.37 C ATOM 1000 O CYS A 71 115.364 -17.581 13.414 1.00 5.73 O ATOM 1001 CB CYS A 71 117.760 -20.186 13.734 1.00 5.65 C ATOM 1002 SG CYS A 71 118.988 -20.095 12.407 1.00 6.45 S ATOM 0 H CYS A 71 116.815 -21.061 11.584 1.00 3.92 H new ATOM 0 HA CYS A 71 115.613 -20.080 13.872 1.00 4.97 H new ATOM 0 HB2 CYS A 71 118.064 -19.555 14.569 1.00 5.65 H new ATOM 0 HB3 CYS A 71 117.693 -21.206 14.113 1.00 5.65 H new ATOM 0 HG CYS A 71 120.145 -20.478 12.860 1.00 6.45 H new TER 1008 CYS A 71 ATOM 1009 N ILE B 4 112.444 -8.667 13.071 1.00 4.65 N ATOM 1010 CA ILE B 4 113.119 -8.202 11.827 1.00 3.90 C ATOM 1011 C ILE B 4 113.708 -6.809 12.056 1.00 3.25 C ATOM 1012 O ILE B 4 114.658 -6.412 11.412 1.00 3.35 O ATOM 1013 CB ILE B 4 112.102 -8.143 10.686 1.00 4.13 C ATOM 1014 CG1 ILE B 4 111.159 -9.344 10.782 1.00 4.79 C ATOM 1015 CG2 ILE B 4 112.837 -8.178 9.346 1.00 3.79 C ATOM 1016 CD1 ILE B 4 109.740 -8.857 11.085 1.00 5.57 C ATOM 0 HA ILE B 4 113.918 -8.896 11.567 1.00 3.90 H new ATOM 0 HB ILE B 4 111.525 -7.221 10.760 1.00 4.13 H new ATOM 0 HG12 ILE B 4 111.171 -9.904 9.847 1.00 4.79 H new ATOM 0 HG13 ILE B 4 111.497 -10.023 11.565 1.00 4.79 H new ATOM 0 HG21 ILE B 4 112.113 -8.136 8.533 1.00 3.79 H new ATOM 0 HG22 ILE B 4 113.510 -7.323 9.278 1.00 3.79 H new ATOM 0 HG23 ILE B 4 113.414 -9.100 9.271 1.00 3.79 H new ATOM 0 HD11 ILE B 4 109.068 -9.713 11.153 1.00 5.57 H new ATOM 0 HD12 ILE B 4 109.735 -8.316 12.031 1.00 5.57 H new ATOM 0 HD13 ILE B 4 109.404 -8.195 10.287 1.00 5.57 H new ATOM 1023 N CYS B 5 113.150 -6.063 12.970 1.00 3.21 N ATOM 1024 CA CYS B 5 113.676 -4.696 13.240 1.00 3.39 C ATOM 1025 C CYS B 5 115.168 -4.772 13.590 1.00 2.84 C ATOM 1026 O CYS B 5 115.978 -4.120 12.963 1.00 2.87 O ATOM 1027 CB CYS B 5 112.906 -4.072 14.406 1.00 4.28 C ATOM 1028 SG CYS B 5 111.857 -2.733 13.788 1.00 5.34 S ATOM 0 H CYS B 5 112.352 -6.342 13.541 1.00 3.21 H new ATOM 0 HA CYS B 5 113.548 -4.080 12.350 1.00 3.39 H new ATOM 0 HB2 CYS B 5 112.296 -4.829 14.899 1.00 4.28 H new ATOM 0 HB3 CYS B 5 113.602 -3.688 15.152 1.00 4.28 H new ATOM 0 HG CYS B 5 111.201 -2.204 14.778 1.00 5.34 H new ATOM 1034 N PRO B 6 115.488 -5.564 14.585 1.00 2.78 N ATOM 1035 CA PRO B 6 116.883 -5.730 15.032 1.00 2.86 C ATOM 1036 C PRO B 6 117.742 -6.297 13.897 1.00 2.57 C ATOM 1037 O PRO B 6 118.642 -5.647 13.405 1.00 3.18 O ATOM 1038 CB PRO B 6 116.808 -6.721 16.202 1.00 3.55 C ATOM 1039 CG PRO B 6 115.319 -7.101 16.403 1.00 3.70 C ATOM 1040 CD PRO B 6 114.497 -6.353 15.341 1.00 3.23 C ATOM 0 HA PRO B 6 117.338 -4.784 15.327 1.00 2.86 H new ATOM 0 HB2 PRO B 6 117.404 -7.609 15.990 1.00 3.55 H new ATOM 0 HB3 PRO B 6 117.214 -6.273 17.109 1.00 3.55 H new ATOM 0 HG2 PRO B 6 115.183 -8.178 16.303 1.00 3.70 H new ATOM 0 HG3 PRO B 6 114.987 -6.829 17.405 1.00 3.70 H new ATOM 0 HD2 PRO B 6 113.965 -7.048 14.691 1.00 3.23 H new ATOM 0 HD3 PRO B 6 113.747 -5.710 15.802 1.00 3.23 H new ATOM 1048 N GLY B 7 117.474 -7.504 13.480 1.00 2.13 N ATOM 1049 CA GLY B 7 118.278 -8.108 12.379 1.00 2.20 C ATOM 1050 C GLY B 7 117.995 -7.365 11.073 1.00 1.60 C ATOM 1051 O GLY B 7 117.149 -7.758 10.296 1.00 2.10 O ATOM 0 H GLY B 7 116.734 -8.098 13.853 1.00 2.13 H new ATOM 0 HA2 GLY B 7 119.340 -8.053 12.618 1.00 2.20 H new ATOM 0 HA3 GLY B 7 118.030 -9.164 12.270 1.00 2.20 H new ATOM 1055 N PHE B 8 118.698 -6.293 10.826 1.00 1.12 N ATOM 1056 CA PHE B 8 118.471 -5.520 9.571 1.00 0.65 C ATOM 1057 C PHE B 8 119.197 -4.176 9.666 1.00 0.60 C ATOM 1058 O PHE B 8 119.569 -3.592 8.667 1.00 1.06 O ATOM 1059 CB PHE B 8 116.971 -5.282 9.382 1.00 1.19 C ATOM 1060 CG PHE B 8 116.747 -4.222 8.328 1.00 0.86 C ATOM 1061 CD1 PHE B 8 117.238 -4.412 7.031 1.00 1.40 C ATOM 1062 CD2 PHE B 8 116.046 -3.054 8.648 1.00 1.46 C ATOM 1063 CE1 PHE B 8 117.026 -3.434 6.053 1.00 1.47 C ATOM 1064 CE2 PHE B 8 115.835 -2.075 7.670 1.00 1.43 C ATOM 1065 CZ PHE B 8 116.325 -2.265 6.372 1.00 0.92 C ATOM 0 H PHE B 8 119.421 -5.918 11.440 1.00 1.12 H new ATOM 0 HA PHE B 8 118.857 -6.082 8.720 1.00 0.65 H new ATOM 0 HB2 PHE B 8 116.481 -6.210 9.087 1.00 1.19 H new ATOM 0 HB3 PHE B 8 116.522 -4.970 10.325 1.00 1.19 H new ATOM 0 HD1 PHE B 8 117.780 -5.313 6.785 1.00 1.40 H new ATOM 0 HD2 PHE B 8 115.668 -2.908 9.649 1.00 1.46 H new ATOM 0 HE1 PHE B 8 117.403 -3.581 5.052 1.00 1.47 H new ATOM 0 HE2 PHE B 8 115.294 -1.173 7.916 1.00 1.43 H new ATOM 0 HZ PHE B 8 116.162 -1.510 5.617 1.00 0.92 H new ATOM 1075 N LEU B 9 119.400 -3.674 10.856 1.00 0.63 N ATOM 1076 CA LEU B 9 120.099 -2.367 10.990 1.00 0.83 C ATOM 1077 C LEU B 9 121.574 -2.531 10.630 1.00 0.74 C ATOM 1078 O LEU B 9 122.177 -1.656 10.043 1.00 0.95 O ATOM 1079 CB LEU B 9 119.990 -1.846 12.418 1.00 1.23 C ATOM 1080 CG LEU B 9 120.724 -0.509 12.494 1.00 1.99 C ATOM 1081 CD1 LEU B 9 119.735 0.598 12.867 1.00 2.80 C ATOM 1082 CD2 LEU B 9 121.825 -0.588 13.554 1.00 2.35 C ATOM 0 H LEU B 9 119.114 -4.110 11.733 1.00 0.63 H new ATOM 0 HA LEU B 9 119.629 -1.654 10.313 1.00 0.83 H new ATOM 0 HB2 LEU B 9 118.944 -1.722 12.699 1.00 1.23 H new ATOM 0 HB3 LEU B 9 120.426 -2.559 13.117 1.00 1.23 H new ATOM 0 HG LEU B 9 121.169 -0.286 11.524 1.00 1.99 H new ATOM 0 HD11 LEU B 9 120.260 1.552 12.921 1.00 2.80 H new ATOM 0 HD12 LEU B 9 118.952 0.657 12.111 1.00 2.80 H new ATOM 0 HD13 LEU B 9 119.287 0.375 13.835 1.00 2.80 H new ATOM 0 HD21 LEU B 9 122.348 0.367 13.607 1.00 2.35 H new ATOM 0 HD22 LEU B 9 121.381 -0.813 14.524 1.00 2.35 H new ATOM 0 HD23 LEU B 9 122.531 -1.374 13.287 1.00 2.35 H new ATOM 1094 N GLN B 10 122.165 -3.646 10.960 1.00 0.71 N ATOM 1095 CA GLN B 10 123.594 -3.841 10.600 1.00 0.68 C ATOM 1096 C GLN B 10 123.723 -3.604 9.100 1.00 0.58 C ATOM 1097 O GLN B 10 124.779 -3.283 8.592 1.00 0.63 O ATOM 1098 CB GLN B 10 124.027 -5.269 10.941 1.00 0.85 C ATOM 1099 CG GLN B 10 123.853 -5.511 12.442 1.00 1.00 C ATOM 1100 CD GLN B 10 124.454 -6.868 12.814 1.00 1.64 C ATOM 1101 OE1 GLN B 10 124.819 -7.640 11.950 1.00 2.38 O ATOM 1102 NE2 GLN B 10 124.574 -7.192 14.072 1.00 2.08 N ATOM 0 H GLN B 10 121.726 -4.421 11.457 1.00 0.71 H new ATOM 0 HA GLN B 10 124.229 -3.150 11.155 1.00 0.68 H new ATOM 0 HB2 GLN B 10 123.432 -5.986 10.375 1.00 0.85 H new ATOM 0 HB3 GLN B 10 125.068 -5.423 10.655 1.00 0.85 H new ATOM 0 HG2 GLN B 10 124.341 -4.718 13.008 1.00 1.00 H new ATOM 0 HG3 GLN B 10 122.796 -5.485 12.705 1.00 1.00 H new ATOM 0 HE21 GLN B 10 124.267 -6.543 14.797 1.00 2.08 H new ATOM 0 HE22 GLN B 10 124.974 -8.094 14.330 1.00 2.08 H new ATOM 1109 N VAL B 11 122.635 -3.747 8.395 1.00 0.65 N ATOM 1110 CA VAL B 11 122.652 -3.520 6.930 1.00 0.62 C ATOM 1111 C VAL B 11 122.252 -2.072 6.653 1.00 0.56 C ATOM 1112 O VAL B 11 122.662 -1.485 5.675 1.00 0.53 O ATOM 1113 CB VAL B 11 121.657 -4.464 6.267 1.00 0.75 C ATOM 1114 CG1 VAL B 11 121.835 -4.409 4.749 1.00 0.71 C ATOM 1115 CG2 VAL B 11 121.913 -5.888 6.766 1.00 0.89 C ATOM 0 H VAL B 11 121.728 -4.014 8.779 1.00 0.65 H new ATOM 0 HA VAL B 11 123.648 -3.708 6.530 1.00 0.62 H new ATOM 0 HB VAL B 11 120.639 -4.165 6.518 1.00 0.75 H new ATOM 0 HG11 VAL B 11 121.123 -5.084 4.274 1.00 0.71 H new ATOM 0 HG12 VAL B 11 121.659 -3.392 4.399 1.00 0.71 H new ATOM 0 HG13 VAL B 11 122.850 -4.711 4.490 1.00 0.71 H new ATOM 0 HG21 VAL B 11 121.205 -6.571 6.296 1.00 0.89 H new ATOM 0 HG22 VAL B 11 122.930 -6.186 6.509 1.00 0.89 H new ATOM 0 HG23 VAL B 11 121.787 -5.922 7.848 1.00 0.89 H new ATOM 1119 N LEU B 12 121.459 -1.487 7.513 1.00 0.58 N ATOM 1120 CA LEU B 12 121.054 -0.071 7.297 1.00 0.59 C ATOM 1121 C LEU B 12 122.312 0.798 7.293 1.00 0.51 C ATOM 1122 O LEU B 12 122.461 1.693 6.484 1.00 0.65 O ATOM 1123 CB LEU B 12 120.123 0.376 8.427 1.00 0.65 C ATOM 1124 CG LEU B 12 119.076 1.343 7.872 1.00 0.80 C ATOM 1125 CD1 LEU B 12 118.286 0.655 6.757 1.00 1.25 C ATOM 1126 CD2 LEU B 12 118.120 1.754 8.994 1.00 1.11 C ATOM 0 H LEU B 12 121.078 -1.928 8.350 1.00 0.58 H new ATOM 0 HA LEU B 12 120.529 0.027 6.347 1.00 0.59 H new ATOM 0 HB2 LEU B 12 119.634 -0.490 8.873 1.00 0.65 H new ATOM 0 HB3 LEU B 12 120.698 0.860 9.217 1.00 0.65 H new ATOM 0 HG LEU B 12 119.572 2.227 7.473 1.00 0.80 H new ATOM 0 HD11 LEU B 12 117.540 1.344 6.361 1.00 1.25 H new ATOM 0 HD12 LEU B 12 118.966 0.359 5.958 1.00 1.25 H new ATOM 0 HD13 LEU B 12 117.788 -0.229 7.156 1.00 1.25 H new ATOM 0 HD21 LEU B 12 117.373 2.443 8.601 1.00 1.11 H new ATOM 0 HD22 LEU B 12 117.624 0.869 9.392 1.00 1.11 H new ATOM 0 HD23 LEU B 12 118.682 2.243 9.790 1.00 1.11 H new ATOM 1138 N GLU B 13 123.227 0.529 8.187 1.00 0.37 N ATOM 1139 CA GLU B 13 124.486 1.323 8.231 1.00 0.36 C ATOM 1140 C GLU B 13 125.436 0.798 7.154 1.00 0.33 C ATOM 1141 O GLU B 13 125.957 1.545 6.351 1.00 0.38 O ATOM 1142 CB GLU B 13 125.138 1.173 9.608 1.00 0.41 C ATOM 1143 CG GLU B 13 124.709 2.335 10.506 1.00 1.11 C ATOM 1144 CD GLU B 13 123.784 1.814 11.608 1.00 1.60 C ATOM 1145 OE1 GLU B 13 124.018 0.714 12.079 1.00 1.99 O ATOM 1146 OE2 GLU B 13 122.858 2.525 11.961 1.00 2.35 O ATOM 0 H GLU B 13 123.155 -0.208 8.889 1.00 0.37 H new ATOM 0 HA GLU B 13 124.268 2.376 8.052 1.00 0.36 H new ATOM 0 HB2 GLU B 13 124.846 0.224 10.059 1.00 0.41 H new ATOM 0 HB3 GLU B 13 126.223 1.158 9.508 1.00 0.41 H new ATOM 0 HG2 GLU B 13 125.585 2.811 10.947 1.00 1.11 H new ATOM 0 HG3 GLU B 13 124.197 3.095 9.916 1.00 1.11 H new ATOM 1153 N ALA B 14 125.653 -0.489 7.122 1.00 0.31 N ATOM 1154 CA ALA B 14 126.554 -1.068 6.085 1.00 0.31 C ATOM 1155 C ALA B 14 126.072 -0.625 4.702 1.00 0.27 C ATOM 1156 O ALA B 14 126.803 -0.649 3.732 1.00 0.32 O ATOM 1157 CB ALA B 14 126.500 -2.591 6.168 1.00 0.37 C ATOM 0 H ALA B 14 125.245 -1.164 7.769 1.00 0.31 H new ATOM 0 HA ALA B 14 127.576 -0.726 6.250 1.00 0.31 H new ATOM 0 HB1 ALA B 14 127.157 -3.020 5.412 1.00 0.37 H new ATOM 0 HB2 ALA B 14 126.826 -2.913 7.157 1.00 0.37 H new ATOM 0 HB3 ALA B 14 125.478 -2.929 5.995 1.00 0.37 H new ATOM 1163 N LEU B 15 124.834 -0.232 4.616 1.00 0.26 N ATOM 1164 CA LEU B 15 124.256 0.209 3.312 1.00 0.26 C ATOM 1165 C LEU B 15 124.532 1.704 3.099 1.00 0.27 C ATOM 1166 O LEU B 15 125.095 2.104 2.100 1.00 0.33 O ATOM 1167 CB LEU B 15 122.739 -0.045 3.339 1.00 0.30 C ATOM 1168 CG LEU B 15 122.013 0.907 2.380 1.00 0.52 C ATOM 1169 CD1 LEU B 15 122.454 0.625 0.946 1.00 1.05 C ATOM 1170 CD2 LEU B 15 120.501 0.697 2.500 1.00 1.02 C ATOM 0 H LEU B 15 124.187 -0.196 5.403 1.00 0.26 H new ATOM 0 HA LEU B 15 124.712 -0.349 2.494 1.00 0.26 H new ATOM 0 HB2 LEU B 15 122.533 -1.078 3.059 1.00 0.30 H new ATOM 0 HB3 LEU B 15 122.360 0.092 4.352 1.00 0.30 H new ATOM 0 HG LEU B 15 122.259 1.937 2.638 1.00 0.52 H new ATOM 0 HD11 LEU B 15 121.937 1.302 0.266 1.00 1.05 H new ATOM 0 HD12 LEU B 15 123.530 0.776 0.860 1.00 1.05 H new ATOM 0 HD13 LEU B 15 122.210 -0.405 0.686 1.00 1.05 H new ATOM 0 HD21 LEU B 15 119.985 1.373 1.819 1.00 1.02 H new ATOM 0 HD22 LEU B 15 120.255 -0.334 2.244 1.00 1.02 H new ATOM 0 HD23 LEU B 15 120.185 0.902 3.523 1.00 1.02 H new ATOM 1182 N LEU B 16 124.115 2.530 4.019 1.00 0.33 N ATOM 1183 CA LEU B 16 124.324 3.996 3.856 1.00 0.35 C ATOM 1184 C LEU B 16 125.565 4.444 4.632 1.00 0.39 C ATOM 1185 O LEU B 16 126.384 5.189 4.132 1.00 0.48 O ATOM 1186 CB LEU B 16 123.102 4.752 4.390 1.00 0.37 C ATOM 1187 CG LEU B 16 121.820 3.953 4.128 1.00 0.44 C ATOM 1188 CD1 LEU B 16 120.757 4.305 5.172 1.00 0.70 C ATOM 1189 CD2 LEU B 16 121.291 4.273 2.728 1.00 0.49 C ATOM 0 H LEU B 16 123.638 2.253 4.877 1.00 0.33 H new ATOM 0 HA LEU B 16 124.463 4.214 2.797 1.00 0.35 H new ATOM 0 HB2 LEU B 16 123.215 4.929 5.460 1.00 0.37 H new ATOM 0 HB3 LEU B 16 123.033 5.729 3.911 1.00 0.37 H new ATOM 0 HG LEU B 16 122.046 2.889 4.197 1.00 0.44 H new ATOM 0 HD11 LEU B 16 119.851 3.732 4.976 1.00 0.70 H new ATOM 0 HD12 LEU B 16 121.131 4.064 6.167 1.00 0.70 H new ATOM 0 HD13 LEU B 16 120.532 5.370 5.117 1.00 0.70 H new ATOM 0 HD21 LEU B 16 120.380 3.704 2.544 1.00 0.49 H new ATOM 0 HD22 LEU B 16 121.074 5.339 2.656 1.00 0.49 H new ATOM 0 HD23 LEU B 16 122.042 4.005 1.985 1.00 0.49 H new ATOM 1201 N LEU B 17 125.706 4.008 5.853 1.00 0.38 N ATOM 1202 CA LEU B 17 126.875 4.416 6.661 1.00 0.46 C ATOM 1203 C LEU B 17 128.025 3.435 6.434 1.00 0.46 C ATOM 1204 O LEU B 17 128.950 3.353 7.218 1.00 0.65 O ATOM 1205 CB LEU B 17 126.466 4.400 8.128 1.00 0.52 C ATOM 1206 CG LEU B 17 125.946 5.780 8.533 1.00 0.62 C ATOM 1207 CD1 LEU B 17 125.622 5.786 10.028 1.00 0.75 C ATOM 1208 CD2 LEU B 17 127.016 6.834 8.239 1.00 0.72 C ATOM 0 H LEU B 17 125.053 3.382 6.324 1.00 0.38 H new ATOM 0 HA LEU B 17 127.205 5.414 6.373 1.00 0.46 H new ATOM 0 HB2 LEU B 17 125.695 3.647 8.292 1.00 0.52 H new ATOM 0 HB3 LEU B 17 127.318 4.125 8.750 1.00 0.52 H new ATOM 0 HG LEU B 17 125.044 6.009 7.966 1.00 0.62 H new ATOM 0 HD11 LEU B 17 125.251 6.770 10.316 1.00 0.75 H new ATOM 0 HD12 LEU B 17 124.860 5.035 10.238 1.00 0.75 H new ATOM 0 HD13 LEU B 17 126.523 5.557 10.597 1.00 0.75 H new ATOM 0 HD21 LEU B 17 126.646 7.818 8.527 1.00 0.72 H new ATOM 0 HD22 LEU B 17 127.918 6.605 8.806 1.00 0.72 H new ATOM 0 HD23 LEU B 17 127.247 6.831 7.174 1.00 0.72 H new ATOM 1220 N GLY B 18 127.976 2.691 5.365 1.00 0.47 N ATOM 1221 CA GLY B 18 129.068 1.717 5.085 1.00 0.51 C ATOM 1222 C GLY B 18 129.572 1.911 3.654 1.00 0.59 C ATOM 1223 O GLY B 18 129.034 2.694 2.897 1.00 1.10 O ATOM 0 H GLY B 18 127.227 2.715 4.673 1.00 0.47 H new ATOM 0 HA2 GLY B 18 129.886 1.858 5.792 1.00 0.51 H new ATOM 0 HA3 GLY B 18 128.704 0.698 5.218 1.00 0.51 H new ATOM 1227 N SER B 19 130.599 1.200 3.278 1.00 0.54 N ATOM 1228 CA SER B 19 131.138 1.336 1.896 1.00 0.57 C ATOM 1229 C SER B 19 131.253 -0.053 1.265 1.00 0.62 C ATOM 1230 O SER B 19 130.958 -0.247 0.102 1.00 1.21 O ATOM 1231 CB SER B 19 132.519 1.990 1.947 1.00 0.77 C ATOM 1232 OG SER B 19 132.456 3.156 2.759 1.00 1.39 O ATOM 0 H SER B 19 131.089 0.529 3.870 1.00 0.54 H new ATOM 0 HA SER B 19 130.468 1.956 1.300 1.00 0.57 H new ATOM 0 HB2 SER B 19 133.251 1.290 2.351 1.00 0.77 H new ATOM 0 HB3 SER B 19 132.848 2.250 0.941 1.00 0.77 H new ATOM 0 HG SER B 19 133.340 3.577 2.796 1.00 1.39 H new ATOM 1238 N GLU B 20 131.677 -1.020 2.029 1.00 0.67 N ATOM 1239 CA GLU B 20 131.812 -2.403 1.491 1.00 0.70 C ATOM 1240 C GLU B 20 132.468 -3.285 2.550 1.00 0.81 C ATOM 1241 O GLU B 20 133.128 -2.798 3.446 1.00 1.49 O ATOM 1242 CB GLU B 20 132.674 -2.384 0.227 1.00 0.83 C ATOM 1243 CG GLU B 20 132.073 -3.327 -0.817 1.00 1.60 C ATOM 1244 CD GLU B 20 132.448 -2.844 -2.219 1.00 2.07 C ATOM 1245 OE1 GLU B 20 133.535 -3.171 -2.665 1.00 2.48 O ATOM 1246 OE2 GLU B 20 131.642 -2.154 -2.822 1.00 2.66 O ATOM 0 H GLU B 20 131.938 -0.912 3.009 1.00 0.67 H new ATOM 0 HA GLU B 20 130.827 -2.799 1.241 1.00 0.70 H new ATOM 0 HB2 GLU B 20 132.730 -1.371 -0.172 1.00 0.83 H new ATOM 0 HB3 GLU B 20 133.693 -2.690 0.465 1.00 0.83 H new ATOM 0 HG2 GLU B 20 132.440 -4.341 -0.660 1.00 1.60 H new ATOM 0 HG3 GLU B 20 130.989 -3.361 -0.711 1.00 1.60 H new ATOM 1253 N SER B 21 132.270 -4.574 2.462 1.00 0.72 N ATOM 1254 CA SER B 21 132.852 -5.507 3.471 1.00 0.75 C ATOM 1255 C SER B 21 131.909 -5.570 4.674 1.00 0.68 C ATOM 1256 O SER B 21 131.598 -6.631 5.177 1.00 0.81 O ATOM 1257 CB SER B 21 134.232 -5.017 3.917 1.00 0.86 C ATOM 1258 OG SER B 21 134.976 -6.114 4.431 1.00 1.30 O ATOM 0 H SER B 21 131.725 -5.024 1.727 1.00 0.72 H new ATOM 0 HA SER B 21 132.967 -6.498 3.031 1.00 0.75 H new ATOM 0 HB2 SER B 21 134.760 -4.567 3.076 1.00 0.86 H new ATOM 0 HB3 SER B 21 134.128 -4.244 4.679 1.00 0.86 H new ATOM 0 HG SER B 21 135.861 -5.804 4.716 1.00 1.30 H new ATOM 1264 N ASN B 22 131.433 -4.440 5.123 1.00 0.58 N ATOM 1265 CA ASN B 22 130.490 -4.431 6.274 1.00 0.53 C ATOM 1266 C ASN B 22 129.093 -4.774 5.761 1.00 0.45 C ATOM 1267 O ASN B 22 128.305 -5.395 6.444 1.00 0.48 O ATOM 1268 CB ASN B 22 130.462 -3.044 6.924 1.00 0.49 C ATOM 1269 CG ASN B 22 130.582 -1.959 5.852 1.00 0.44 C ATOM 1270 OD1 ASN B 22 129.591 -1.511 5.310 1.00 0.75 O ATOM 1271 ND2 ASN B 22 131.763 -1.514 5.521 1.00 0.90 N ATOM 0 H ASN B 22 131.658 -3.522 4.740 1.00 0.58 H new ATOM 0 HA ASN B 22 130.814 -5.161 7.016 1.00 0.53 H new ATOM 0 HB2 ASN B 22 129.535 -2.914 7.482 1.00 0.49 H new ATOM 0 HB3 ASN B 22 131.280 -2.952 7.639 1.00 0.49 H new ATOM 0 HD21 ASN B 22 131.854 -0.791 4.808 1.00 0.90 H new ATOM 0 HD22 ASN B 22 132.595 -1.890 5.976 1.00 0.90 H new ATOM 1278 N TYR B 23 128.783 -4.374 4.557 1.00 0.38 N ATOM 1279 CA TYR B 23 127.440 -4.681 3.994 1.00 0.31 C ATOM 1280 C TYR B 23 127.345 -6.177 3.696 1.00 0.33 C ATOM 1281 O TYR B 23 126.458 -6.858 4.169 1.00 0.34 O ATOM 1282 CB TYR B 23 127.235 -3.894 2.701 1.00 0.28 C ATOM 1283 CG TYR B 23 125.974 -4.370 2.021 1.00 0.23 C ATOM 1284 CD1 TYR B 23 124.751 -3.761 2.317 1.00 1.19 C ATOM 1285 CD2 TYR B 23 126.028 -5.419 1.095 1.00 1.25 C ATOM 1286 CE1 TYR B 23 123.581 -4.199 1.687 1.00 1.18 C ATOM 1287 CE2 TYR B 23 124.856 -5.858 0.465 1.00 1.25 C ATOM 1288 CZ TYR B 23 123.629 -5.245 0.761 1.00 0.18 C ATOM 1289 OH TYR B 23 122.468 -5.665 0.137 1.00 0.18 O ATOM 0 H TYR B 23 129.403 -3.848 3.941 1.00 0.38 H new ATOM 0 HA TYR B 23 126.672 -4.401 4.715 1.00 0.31 H new ATOM 0 HB2 TYR B 23 127.165 -2.828 2.918 1.00 0.28 H new ATOM 0 HB3 TYR B 23 128.091 -4.029 2.040 1.00 0.28 H new ATOM 0 HD1 TYR B 23 124.709 -2.953 3.032 1.00 1.19 H new ATOM 0 HD2 TYR B 23 126.973 -5.890 0.866 1.00 1.25 H new ATOM 0 HE1 TYR B 23 122.637 -3.727 1.917 1.00 1.18 H new ATOM 0 HE2 TYR B 23 124.897 -6.668 -0.248 1.00 1.25 H new ATOM 0 HH TYR B 23 121.702 -5.182 0.511 1.00 0.18 H new ATOM 1299 N GLU B 24 128.257 -6.699 2.920 1.00 0.36 N ATOM 1300 CA GLU B 24 128.213 -8.154 2.606 1.00 0.41 C ATOM 1301 C GLU B 24 128.443 -8.937 3.897 1.00 0.45 C ATOM 1302 O GLU B 24 127.729 -9.870 4.206 1.00 0.47 O ATOM 1303 CB GLU B 24 129.306 -8.498 1.592 1.00 0.47 C ATOM 1304 CG GLU B 24 128.738 -8.403 0.174 1.00 1.12 C ATOM 1305 CD GLU B 24 129.828 -8.758 -0.838 1.00 1.49 C ATOM 1306 OE1 GLU B 24 130.643 -9.611 -0.527 1.00 2.19 O ATOM 1307 OE2 GLU B 24 129.830 -8.171 -1.907 1.00 1.90 O ATOM 0 H GLU B 24 129.026 -6.183 2.493 1.00 0.36 H new ATOM 0 HA GLU B 24 127.244 -8.414 2.180 1.00 0.41 H new ATOM 0 HB2 GLU B 24 130.148 -7.815 1.704 1.00 0.47 H new ATOM 0 HB3 GLU B 24 129.684 -9.503 1.777 1.00 0.47 H new ATOM 0 HG2 GLU B 24 127.891 -9.080 0.064 1.00 1.12 H new ATOM 0 HG3 GLU B 24 128.367 -7.395 -0.014 1.00 1.12 H new ATOM 1314 N ALA B 25 129.430 -8.555 4.660 1.00 0.49 N ATOM 1315 CA ALA B 25 129.695 -9.261 5.935 1.00 0.55 C ATOM 1316 C ALA B 25 128.470 -9.109 6.834 1.00 0.53 C ATOM 1317 O ALA B 25 128.187 -9.942 7.672 1.00 0.58 O ATOM 1318 CB ALA B 25 130.916 -8.643 6.619 1.00 0.62 C ATOM 0 H ALA B 25 130.063 -7.783 4.451 1.00 0.49 H new ATOM 0 HA ALA B 25 129.892 -10.316 5.746 1.00 0.55 H new ATOM 0 HB1 ALA B 25 131.110 -9.163 7.557 1.00 0.62 H new ATOM 0 HB2 ALA B 25 131.784 -8.736 5.967 1.00 0.62 H new ATOM 0 HB3 ALA B 25 130.725 -7.589 6.822 1.00 0.62 H new ATOM 1324 N ALA B 26 127.735 -8.045 6.654 1.00 0.48 N ATOM 1325 CA ALA B 26 126.522 -7.823 7.474 1.00 0.49 C ATOM 1326 C ALA B 26 125.437 -8.799 7.018 1.00 0.45 C ATOM 1327 O ALA B 26 124.574 -9.191 7.778 1.00 0.47 O ATOM 1328 CB ALA B 26 126.037 -6.382 7.285 1.00 0.47 C ATOM 0 H ALA B 26 127.929 -7.317 5.967 1.00 0.48 H new ATOM 0 HA ALA B 26 126.746 -7.988 8.528 1.00 0.49 H new ATOM 0 HB1 ALA B 26 125.144 -6.217 7.888 1.00 0.47 H new ATOM 0 HB2 ALA B 26 126.819 -5.691 7.598 1.00 0.47 H new ATOM 0 HB3 ALA B 26 125.802 -6.212 6.234 1.00 0.47 H new ATOM 1334 N LEU B 27 125.484 -9.194 5.774 1.00 0.42 N ATOM 1335 CA LEU B 27 124.485 -10.138 5.238 1.00 0.40 C ATOM 1336 C LEU B 27 124.883 -11.569 5.618 1.00 0.41 C ATOM 1337 O LEU B 27 124.119 -12.498 5.464 1.00 0.41 O ATOM 1338 CB LEU B 27 124.488 -9.998 3.721 1.00 0.38 C ATOM 1339 CG LEU B 27 123.771 -8.709 3.313 1.00 0.33 C ATOM 1340 CD1 LEU B 27 124.443 -8.125 2.070 1.00 0.38 C ATOM 1341 CD2 LEU B 27 122.307 -9.011 2.993 1.00 0.35 C ATOM 0 H LEU B 27 126.189 -8.892 5.102 1.00 0.42 H new ATOM 0 HA LEU B 27 123.496 -9.926 5.643 1.00 0.40 H new ATOM 0 HB2 LEU B 27 125.513 -9.987 3.351 1.00 0.38 H new ATOM 0 HB3 LEU B 27 123.995 -10.858 3.267 1.00 0.38 H new ATOM 0 HG LEU B 27 123.825 -7.994 4.134 1.00 0.33 H new ATOM 0 HD11 LEU B 27 123.933 -7.207 1.778 1.00 0.38 H new ATOM 0 HD12 LEU B 27 125.488 -7.906 2.290 1.00 0.38 H new ATOM 0 HD13 LEU B 27 124.388 -8.846 1.254 1.00 0.38 H new ATOM 0 HD21 LEU B 27 121.801 -8.090 2.703 1.00 0.35 H new ATOM 0 HD22 LEU B 27 122.254 -9.728 2.174 1.00 0.35 H new ATOM 0 HD23 LEU B 27 121.821 -9.430 3.874 1.00 0.35 H new ATOM 1353 N LYS B 28 126.083 -11.749 6.100 1.00 0.46 N ATOM 1354 CA LYS B 28 126.548 -13.113 6.481 1.00 0.49 C ATOM 1355 C LYS B 28 125.502 -13.816 7.358 1.00 0.51 C ATOM 1356 O LYS B 28 125.087 -14.915 7.053 1.00 0.51 O ATOM 1357 CB LYS B 28 127.866 -13.006 7.252 1.00 0.57 C ATOM 1358 CG LYS B 28 128.911 -13.916 6.604 1.00 0.64 C ATOM 1359 CD LYS B 28 130.250 -13.179 6.524 1.00 1.21 C ATOM 1360 CE LYS B 28 131.393 -14.196 6.497 1.00 1.68 C ATOM 1361 NZ LYS B 28 132.646 -13.546 6.973 1.00 2.05 N ATOM 0 H LYS B 28 126.765 -11.005 6.247 1.00 0.46 H new ATOM 0 HA LYS B 28 126.695 -13.697 5.573 1.00 0.49 H new ATOM 0 HB2 LYS B 28 128.217 -11.974 7.252 1.00 0.57 H new ATOM 0 HB3 LYS B 28 127.715 -13.292 8.293 1.00 0.57 H new ATOM 0 HG2 LYS B 28 129.022 -14.832 7.185 1.00 0.64 H new ATOM 0 HG3 LYS B 28 128.585 -14.209 5.606 1.00 0.64 H new ATOM 0 HD2 LYS B 28 130.282 -12.557 5.629 1.00 1.21 H new ATOM 0 HD3 LYS B 28 130.362 -12.513 7.380 1.00 1.21 H new ATOM 0 HE2 LYS B 28 131.150 -15.049 7.130 1.00 1.68 H new ATOM 0 HE3 LYS B 28 131.530 -14.578 5.486 1.00 1.68 H new ATOM 0 HZ1 LYS B 28 133.424 -14.236 6.955 1.00 2.05 H new ATOM 0 HZ2 LYS B 28 132.879 -12.745 6.352 1.00 2.05 H new ATOM 0 HZ3 LYS B 28 132.511 -13.202 7.945 1.00 2.05 H new ATOM 1375 N PRO B 29 125.117 -13.168 8.431 1.00 0.55 N ATOM 1376 CA PRO B 29 124.126 -13.729 9.371 1.00 0.60 C ATOM 1377 C PRO B 29 122.791 -13.973 8.661 1.00 0.56 C ATOM 1378 O PRO B 29 122.008 -14.813 9.060 1.00 0.62 O ATOM 1379 CB PRO B 29 123.973 -12.662 10.464 1.00 0.65 C ATOM 1380 CG PRO B 29 124.933 -11.494 10.120 1.00 0.62 C ATOM 1381 CD PRO B 29 125.633 -11.837 8.795 1.00 0.57 C ATOM 0 HA PRO B 29 124.441 -14.690 9.778 1.00 0.60 H new ATOM 0 HB2 PRO B 29 122.943 -12.309 10.512 1.00 0.65 H new ATOM 0 HB3 PRO B 29 124.213 -13.079 11.442 1.00 0.65 H new ATOM 0 HG2 PRO B 29 124.380 -10.559 10.029 1.00 0.62 H new ATOM 0 HG3 PRO B 29 125.666 -11.355 10.915 1.00 0.62 H new ATOM 0 HD2 PRO B 29 125.405 -11.100 8.025 1.00 0.57 H new ATOM 0 HD3 PRO B 29 126.717 -11.851 8.912 1.00 0.57 H new ATOM 1389 N PHE B 30 122.525 -13.246 7.612 1.00 0.51 N ATOM 1390 CA PHE B 30 121.242 -13.434 6.876 1.00 0.50 C ATOM 1391 C PHE B 30 121.431 -14.495 5.788 1.00 0.47 C ATOM 1392 O PHE B 30 120.480 -15.014 5.237 1.00 0.50 O ATOM 1393 CB PHE B 30 120.830 -12.104 6.243 1.00 0.48 C ATOM 1394 CG PHE B 30 120.560 -11.099 7.338 1.00 0.52 C ATOM 1395 CD1 PHE B 30 119.659 -11.409 8.364 1.00 1.24 C ATOM 1396 CD2 PHE B 30 121.209 -9.859 7.327 1.00 1.41 C ATOM 1397 CE1 PHE B 30 119.408 -10.479 9.379 1.00 1.26 C ATOM 1398 CE2 PHE B 30 120.957 -8.929 8.343 1.00 1.50 C ATOM 1399 CZ PHE B 30 120.057 -9.239 9.369 1.00 0.76 C ATOM 0 H PHE B 30 123.141 -12.528 7.231 1.00 0.51 H new ATOM 0 HA PHE B 30 120.463 -13.764 7.563 1.00 0.50 H new ATOM 0 HB2 PHE B 30 121.619 -11.740 5.585 1.00 0.48 H new ATOM 0 HB3 PHE B 30 119.940 -12.239 5.629 1.00 0.48 H new ATOM 0 HD1 PHE B 30 119.158 -12.366 8.372 1.00 1.24 H new ATOM 0 HD2 PHE B 30 121.904 -9.620 6.535 1.00 1.41 H new ATOM 0 HE1 PHE B 30 118.713 -10.718 10.170 1.00 1.26 H new ATOM 0 HE2 PHE B 30 121.457 -7.972 8.335 1.00 1.50 H new ATOM 0 HZ PHE B 30 119.863 -8.522 10.153 1.00 0.76 H new ATOM 1409 N ASN B 31 122.656 -14.827 5.487 1.00 0.46 N ATOM 1410 CA ASN B 31 122.931 -15.862 4.449 1.00 0.48 C ATOM 1411 C ASN B 31 121.975 -15.699 3.263 1.00 0.44 C ATOM 1412 O ASN B 31 121.200 -16.587 2.970 1.00 0.48 O ATOM 1413 CB ASN B 31 122.748 -17.253 5.061 1.00 0.60 C ATOM 1414 CG ASN B 31 121.284 -17.447 5.461 1.00 0.67 C ATOM 1415 OD1 ASN B 31 120.506 -18.002 4.710 1.00 1.04 O ATOM 1416 ND2 ASN B 31 120.874 -17.011 6.620 1.00 1.40 N ATOM 0 H ASN B 31 123.486 -14.422 5.919 1.00 0.46 H new ATOM 0 HA ASN B 31 123.955 -15.742 4.094 1.00 0.48 H new ATOM 0 HB2 ASN B 31 123.045 -18.019 4.344 1.00 0.60 H new ATOM 0 HB3 ASN B 31 123.392 -17.366 5.933 1.00 0.60 H new ATOM 0 HD21 ASN B 31 119.900 -17.136 6.896 1.00 1.40 H new ATOM 0 HD22 ASN B 31 121.527 -16.545 7.250 1.00 1.40 H new ATOM 1423 N PRO B 32 122.068 -14.570 2.607 1.00 0.40 N ATOM 1424 CA PRO B 32 121.225 -14.276 1.435 1.00 0.40 C ATOM 1425 C PRO B 32 121.519 -15.284 0.320 1.00 0.42 C ATOM 1426 O PRO B 32 122.648 -15.682 0.115 1.00 0.50 O ATOM 1427 CB PRO B 32 121.632 -12.860 1.004 1.00 0.44 C ATOM 1428 CG PRO B 32 122.752 -12.380 1.963 1.00 0.47 C ATOM 1429 CD PRO B 32 123.011 -13.503 2.980 1.00 0.43 C ATOM 0 HA PRO B 32 120.160 -14.343 1.656 1.00 0.40 H new ATOM 0 HB2 PRO B 32 121.985 -12.861 -0.027 1.00 0.44 H new ATOM 0 HB3 PRO B 32 120.776 -12.186 1.047 1.00 0.44 H new ATOM 0 HG2 PRO B 32 123.661 -12.152 1.406 1.00 0.47 H new ATOM 0 HG3 PRO B 32 122.452 -11.464 2.473 1.00 0.47 H new ATOM 0 HD2 PRO B 32 124.043 -13.851 2.931 1.00 0.43 H new ATOM 0 HD3 PRO B 32 122.838 -13.161 4.000 1.00 0.43 H new ATOM 1437 N ALA B 33 120.513 -15.706 -0.396 1.00 0.40 N ATOM 1438 CA ALA B 33 120.739 -16.690 -1.489 1.00 0.48 C ATOM 1439 C ALA B 33 121.893 -16.220 -2.378 1.00 0.54 C ATOM 1440 O ALA B 33 122.482 -15.182 -2.152 1.00 0.97 O ATOM 1441 CB ALA B 33 119.468 -16.822 -2.329 1.00 0.49 C ATOM 0 H ALA B 33 119.545 -15.411 -0.270 1.00 0.40 H new ATOM 0 HA ALA B 33 120.990 -17.658 -1.055 1.00 0.48 H new ATOM 0 HB1 ALA B 33 119.634 -17.543 -3.129 1.00 0.49 H new ATOM 0 HB2 ALA B 33 118.648 -17.164 -1.697 1.00 0.49 H new ATOM 0 HB3 ALA B 33 119.214 -15.853 -2.760 1.00 0.49 H new ATOM 1447 N SER B 34 122.223 -16.979 -3.387 1.00 0.43 N ATOM 1448 CA SER B 34 123.341 -16.581 -4.289 1.00 0.45 C ATOM 1449 C SER B 34 123.022 -15.237 -4.950 1.00 0.41 C ATOM 1450 O SER B 34 123.340 -14.188 -4.428 1.00 0.55 O ATOM 1451 CB SER B 34 123.526 -17.647 -5.370 1.00 0.57 C ATOM 1452 OG SER B 34 124.373 -18.676 -4.874 1.00 1.36 O ATOM 0 H SER B 34 121.766 -17.859 -3.626 1.00 0.43 H new ATOM 0 HA SER B 34 124.257 -16.487 -3.706 1.00 0.45 H new ATOM 0 HB2 SER B 34 122.560 -18.062 -5.657 1.00 0.57 H new ATOM 0 HB3 SER B 34 123.961 -17.202 -6.265 1.00 0.57 H new ATOM 0 HG SER B 34 124.493 -19.362 -5.564 1.00 1.36 H new ATOM 1458 N ASP B 35 122.400 -15.263 -6.098 1.00 0.41 N ATOM 1459 CA ASP B 35 122.064 -13.989 -6.798 1.00 0.45 C ATOM 1460 C ASP B 35 121.538 -12.969 -5.788 1.00 0.46 C ATOM 1461 O ASP B 35 122.004 -11.855 -5.731 1.00 0.88 O ATOM 1462 CB ASP B 35 120.995 -14.255 -7.859 1.00 0.50 C ATOM 1463 CG ASP B 35 121.335 -15.539 -8.618 1.00 0.99 C ATOM 1464 OD1 ASP B 35 122.505 -15.748 -8.893 1.00 1.75 O ATOM 1465 OD2 ASP B 35 120.420 -16.291 -8.912 1.00 1.62 O ATOM 0 H ASP B 35 122.110 -16.113 -6.582 1.00 0.41 H new ATOM 0 HA ASP B 35 122.960 -13.594 -7.276 1.00 0.45 H new ATOM 0 HB2 ASP B 35 120.016 -14.347 -7.389 1.00 0.50 H new ATOM 0 HB3 ASP B 35 120.938 -13.415 -8.551 1.00 0.50 H new ATOM 1470 N LEU B 36 120.579 -13.338 -4.983 1.00 0.29 N ATOM 1471 CA LEU B 36 120.040 -12.395 -3.981 1.00 0.25 C ATOM 1472 C LEU B 36 121.182 -11.583 -3.375 1.00 0.23 C ATOM 1473 O LEU B 36 121.176 -10.368 -3.395 1.00 0.23 O ATOM 1474 CB LEU B 36 119.361 -13.219 -2.900 1.00 0.27 C ATOM 1475 CG LEU B 36 118.169 -13.970 -3.496 1.00 0.31 C ATOM 1476 CD1 LEU B 36 117.310 -14.544 -2.369 1.00 0.36 C ATOM 1477 CD2 LEU B 36 117.328 -13.009 -4.336 1.00 0.35 C ATOM 0 H LEU B 36 120.147 -14.262 -4.982 1.00 0.29 H new ATOM 0 HA LEU B 36 119.331 -11.705 -4.439 1.00 0.25 H new ATOM 0 HB2 LEU B 36 120.070 -13.926 -2.469 1.00 0.27 H new ATOM 0 HB3 LEU B 36 119.026 -12.570 -2.091 1.00 0.27 H new ATOM 0 HG LEU B 36 118.532 -14.782 -4.126 1.00 0.31 H new ATOM 0 HD11 LEU B 36 116.461 -15.079 -2.795 1.00 0.36 H new ATOM 0 HD12 LEU B 36 117.908 -15.231 -1.770 1.00 0.36 H new ATOM 0 HD13 LEU B 36 116.948 -13.732 -1.738 1.00 0.36 H new ATOM 0 HD21 LEU B 36 116.479 -13.544 -4.761 1.00 0.35 H new ATOM 0 HD22 LEU B 36 116.966 -12.196 -3.706 1.00 0.35 H new ATOM 0 HD23 LEU B 36 117.938 -12.600 -5.141 1.00 0.35 H new ATOM 1489 N GLN B 37 122.170 -12.248 -2.853 1.00 0.24 N ATOM 1490 CA GLN B 37 123.324 -11.518 -2.264 1.00 0.25 C ATOM 1491 C GLN B 37 123.950 -10.635 -3.345 1.00 0.26 C ATOM 1492 O GLN B 37 124.310 -9.501 -3.103 1.00 0.26 O ATOM 1493 CB GLN B 37 124.362 -12.522 -1.758 1.00 0.30 C ATOM 1494 CG GLN B 37 125.653 -11.785 -1.397 1.00 0.42 C ATOM 1495 CD GLN B 37 126.198 -12.327 -0.074 1.00 1.16 C ATOM 1496 OE1 GLN B 37 126.895 -13.321 -0.052 1.00 1.90 O ATOM 1497 NE2 GLN B 37 125.907 -11.710 1.039 1.00 1.73 N ATOM 0 H GLN B 37 122.229 -13.265 -2.808 1.00 0.24 H new ATOM 0 HA GLN B 37 122.987 -10.902 -1.430 1.00 0.25 H new ATOM 0 HB2 GLN B 37 123.977 -13.051 -0.886 1.00 0.30 H new ATOM 0 HB3 GLN B 37 124.561 -13.272 -2.523 1.00 0.30 H new ATOM 0 HG2 GLN B 37 126.392 -11.916 -2.188 1.00 0.42 H new ATOM 0 HG3 GLN B 37 125.462 -10.715 -1.313 1.00 0.42 H new ATOM 0 HE21 GLN B 37 125.322 -10.875 1.021 1.00 1.73 H new ATOM 0 HE22 GLN B 37 126.265 -12.063 1.926 1.00 1.73 H new ATOM 1504 N ASN B 38 124.084 -11.149 -4.540 1.00 0.29 N ATOM 1505 CA ASN B 38 124.683 -10.351 -5.635 1.00 0.34 C ATOM 1506 C ASN B 38 123.998 -8.987 -5.696 1.00 0.33 C ATOM 1507 O ASN B 38 124.634 -7.955 -5.760 1.00 0.46 O ATOM 1508 CB ASN B 38 124.493 -11.114 -6.960 1.00 0.41 C ATOM 1509 CG ASN B 38 123.208 -10.697 -7.699 1.00 0.43 C ATOM 1510 OD1 ASN B 38 122.331 -11.507 -7.922 1.00 1.08 O ATOM 1511 ND2 ASN B 38 123.080 -9.472 -8.134 1.00 1.24 N ATOM 0 H ASN B 38 123.800 -12.094 -4.800 1.00 0.29 H new ATOM 0 HA ASN B 38 125.748 -10.197 -5.460 1.00 0.34 H new ATOM 0 HB2 ASN B 38 125.354 -10.936 -7.605 1.00 0.41 H new ATOM 0 HB3 ASN B 38 124.462 -12.185 -6.758 1.00 0.41 H new ATOM 0 HD21 ASN B 38 122.247 -9.201 -8.657 1.00 1.24 H new ATOM 0 HD22 ASN B 38 123.813 -8.786 -7.950 1.00 1.24 H new ATOM 1518 N ALA B 39 122.699 -8.989 -5.687 1.00 0.29 N ATOM 1519 CA ALA B 39 121.938 -7.720 -5.754 1.00 0.29 C ATOM 1520 C ALA B 39 122.260 -6.855 -4.540 1.00 0.28 C ATOM 1521 O ALA B 39 122.266 -5.646 -4.619 1.00 0.52 O ATOM 1522 CB ALA B 39 120.453 -8.052 -5.765 1.00 0.27 C ATOM 0 H ALA B 39 122.125 -9.830 -5.635 1.00 0.29 H new ATOM 0 HA ALA B 39 122.209 -7.171 -6.656 1.00 0.29 H new ATOM 0 HB1 ALA B 39 119.874 -7.130 -5.814 1.00 0.27 H new ATOM 0 HB2 ALA B 39 120.225 -8.670 -6.633 1.00 0.27 H new ATOM 0 HB3 ALA B 39 120.195 -8.594 -4.855 1.00 0.27 H new ATOM 1528 N GLY B 40 122.527 -7.459 -3.416 1.00 0.21 N ATOM 1529 CA GLY B 40 122.849 -6.656 -2.204 1.00 0.18 C ATOM 1530 C GLY B 40 124.225 -6.017 -2.378 1.00 0.19 C ATOM 1531 O GLY B 40 124.488 -4.939 -1.884 1.00 0.19 O ATOM 0 H GLY B 40 122.536 -8.470 -3.284 1.00 0.21 H new ATOM 0 HA2 GLY B 40 122.093 -5.885 -2.052 1.00 0.18 H new ATOM 0 HA3 GLY B 40 122.839 -7.291 -1.318 1.00 0.18 H new ATOM 1535 N THR B 41 125.112 -6.660 -3.082 1.00 0.22 N ATOM 1536 CA THR B 41 126.451 -6.052 -3.275 1.00 0.25 C ATOM 1537 C THR B 41 126.282 -4.759 -4.063 1.00 0.24 C ATOM 1538 O THR B 41 126.709 -3.704 -3.642 1.00 0.27 O ATOM 1539 CB THR B 41 127.365 -6.999 -4.055 1.00 0.30 C ATOM 1540 OG1 THR B 41 127.876 -7.994 -3.178 1.00 0.32 O ATOM 1541 CG2 THR B 41 128.520 -6.193 -4.652 1.00 0.33 C ATOM 0 H THR B 41 124.969 -7.567 -3.526 1.00 0.22 H new ATOM 0 HA THR B 41 126.902 -5.856 -2.302 1.00 0.25 H new ATOM 0 HB THR B 41 126.804 -7.483 -4.854 1.00 0.30 H new ATOM 0 HG1 THR B 41 128.784 -7.751 -2.901 1.00 0.32 H new ATOM 0 HG21 THR B 41 129.178 -6.859 -5.210 1.00 0.33 H new ATOM 0 HG22 THR B 41 128.123 -5.430 -5.321 1.00 0.33 H new ATOM 0 HG23 THR B 41 129.083 -5.715 -3.850 1.00 0.33 H new ATOM 1546 N GLN B 42 125.665 -4.830 -5.209 1.00 0.27 N ATOM 1547 CA GLN B 42 125.473 -3.612 -6.003 1.00 0.29 C ATOM 1548 C GLN B 42 124.705 -2.612 -5.145 1.00 0.26 C ATOM 1549 O GLN B 42 125.003 -1.437 -5.112 1.00 0.28 O ATOM 1550 CB GLN B 42 124.671 -3.970 -7.247 1.00 0.34 C ATOM 1551 CG GLN B 42 125.623 -4.325 -8.391 1.00 0.40 C ATOM 1552 CD GLN B 42 125.230 -5.681 -8.980 1.00 1.21 C ATOM 1553 OE1 GLN B 42 124.419 -6.389 -8.417 1.00 2.15 O ATOM 1554 NE2 GLN B 42 125.775 -6.075 -10.099 1.00 1.62 N ATOM 0 H GLN B 42 125.290 -5.685 -5.620 1.00 0.27 H new ATOM 0 HA GLN B 42 126.425 -3.178 -6.307 1.00 0.29 H new ATOM 0 HB2 GLN B 42 124.011 -4.811 -7.036 1.00 0.34 H new ATOM 0 HB3 GLN B 42 124.037 -3.132 -7.536 1.00 0.34 H new ATOM 0 HG2 GLN B 42 125.584 -3.556 -9.163 1.00 0.40 H new ATOM 0 HG3 GLN B 42 126.650 -4.359 -8.027 1.00 0.40 H new ATOM 0 HE21 GLN B 42 126.456 -5.481 -10.572 1.00 1.62 H new ATOM 0 HE22 GLN B 42 125.520 -6.977 -10.501 1.00 1.62 H new ATOM 1561 N LEU B 43 123.729 -3.095 -4.429 1.00 0.25 N ATOM 1562 CA LEU B 43 122.935 -2.216 -3.537 1.00 0.26 C ATOM 1563 C LEU B 43 123.894 -1.278 -2.801 1.00 0.25 C ATOM 1564 O LEU B 43 123.610 -0.115 -2.597 1.00 0.32 O ATOM 1565 CB LEU B 43 122.170 -3.113 -2.548 1.00 0.28 C ATOM 1566 CG LEU B 43 121.843 -2.372 -1.244 1.00 0.27 C ATOM 1567 CD1 LEU B 43 123.069 -2.320 -0.333 1.00 0.30 C ATOM 1568 CD2 LEU B 43 121.389 -0.957 -1.555 1.00 0.28 C ATOM 0 H LEU B 43 123.447 -4.075 -4.426 1.00 0.25 H new ATOM 0 HA LEU B 43 122.221 -1.612 -4.097 1.00 0.26 H new ATOM 0 HB2 LEU B 43 121.246 -3.459 -3.011 1.00 0.28 H new ATOM 0 HB3 LEU B 43 122.766 -3.998 -2.324 1.00 0.28 H new ATOM 0 HG LEU B 43 121.045 -2.911 -0.733 1.00 0.27 H new ATOM 0 HD11 LEU B 43 122.817 -1.791 0.586 1.00 0.30 H new ATOM 0 HD12 LEU B 43 123.387 -3.334 -0.092 1.00 0.30 H new ATOM 0 HD13 LEU B 43 123.879 -1.797 -0.842 1.00 0.30 H new ATOM 0 HD21 LEU B 43 121.158 -0.436 -0.626 1.00 0.28 H new ATOM 0 HD22 LEU B 43 122.184 -0.427 -2.080 1.00 0.28 H new ATOM 0 HD23 LEU B 43 120.499 -0.990 -2.183 1.00 0.28 H new ATOM 1580 N LYS B 44 125.037 -1.777 -2.408 1.00 0.25 N ATOM 1581 CA LYS B 44 126.020 -0.917 -1.689 1.00 0.32 C ATOM 1582 C LYS B 44 126.663 0.065 -2.672 1.00 0.32 C ATOM 1583 O LYS B 44 126.856 1.225 -2.367 1.00 0.37 O ATOM 1584 CB LYS B 44 127.105 -1.800 -1.068 1.00 0.39 C ATOM 1585 CG LYS B 44 128.019 -0.944 -0.191 1.00 0.88 C ATOM 1586 CD LYS B 44 127.266 -0.520 1.070 1.00 1.00 C ATOM 1587 CE LYS B 44 127.957 0.696 1.689 1.00 1.56 C ATOM 1588 NZ LYS B 44 127.951 1.820 0.711 1.00 2.55 N ATOM 0 H LYS B 44 125.331 -2.743 -2.554 1.00 0.25 H new ATOM 0 HA LYS B 44 125.508 -0.358 -0.905 1.00 0.32 H new ATOM 0 HB2 LYS B 44 126.649 -2.591 -0.473 1.00 0.39 H new ATOM 0 HB3 LYS B 44 127.686 -2.286 -1.852 1.00 0.39 H new ATOM 0 HG2 LYS B 44 128.913 -1.506 0.078 1.00 0.88 H new ATOM 0 HG3 LYS B 44 128.350 -0.064 -0.743 1.00 0.88 H new ATOM 0 HD2 LYS B 44 126.231 -0.279 0.825 1.00 1.00 H new ATOM 0 HD3 LYS B 44 127.241 -1.342 1.786 1.00 1.00 H new ATOM 0 HE2 LYS B 44 127.444 0.993 2.604 1.00 1.56 H new ATOM 0 HE3 LYS B 44 128.981 0.445 1.965 1.00 1.56 H new ATOM 0 HZ1 LYS B 44 128.098 2.718 1.214 1.00 2.55 H new ATOM 0 HZ2 LYS B 44 128.714 1.682 0.019 1.00 2.55 H new ATOM 0 HZ3 LYS B 44 127.036 1.846 0.217 1.00 2.55 H new ATOM 1602 N ARG B 45 126.999 -0.390 -3.848 1.00 0.31 N ATOM 1603 CA ARG B 45 127.631 0.520 -4.846 1.00 0.35 C ATOM 1604 C ARG B 45 126.732 1.739 -5.066 1.00 0.34 C ATOM 1605 O ARG B 45 127.159 2.869 -4.938 1.00 0.43 O ATOM 1606 CB ARG B 45 127.815 -0.226 -6.170 1.00 0.37 C ATOM 1607 CG ARG B 45 128.971 -1.219 -6.041 1.00 0.88 C ATOM 1608 CD ARG B 45 128.630 -2.501 -6.800 1.00 0.96 C ATOM 1609 NE ARG B 45 129.781 -2.885 -7.676 1.00 1.39 N ATOM 1610 CZ ARG B 45 130.350 -2.013 -8.469 1.00 1.94 C ATOM 1611 NH1 ARG B 45 129.814 -0.836 -8.665 1.00 2.43 N ATOM 1612 NH2 ARG B 45 131.435 -2.342 -9.117 1.00 2.67 N ATOM 0 H ARG B 45 126.864 -1.351 -4.161 1.00 0.31 H new ATOM 0 HA ARG B 45 128.602 0.848 -4.476 1.00 0.35 H new ATOM 0 HB2 ARG B 45 126.898 -0.752 -6.433 1.00 0.37 H new ATOM 0 HB3 ARG B 45 128.018 0.482 -6.973 1.00 0.37 H new ATOM 0 HG2 ARG B 45 129.886 -0.781 -6.439 1.00 0.88 H new ATOM 0 HG3 ARG B 45 129.155 -1.444 -4.991 1.00 0.88 H new ATOM 0 HD2 ARG B 45 128.411 -3.305 -6.097 1.00 0.96 H new ATOM 0 HD3 ARG B 45 127.734 -2.352 -7.403 1.00 0.96 H new ATOM 0 HE ARG B 45 130.128 -3.844 -7.655 1.00 1.39 H new ATOM 0 HH11 ARG B 45 128.942 -0.588 -8.197 1.00 2.43 H new ATOM 0 HH12 ARG B 45 130.268 -0.166 -9.286 1.00 2.43 H new ATOM 0 HH21 ARG B 45 131.834 -3.274 -9.004 1.00 2.67 H new ATOM 0 HH22 ARG B 45 131.883 -1.667 -9.737 1.00 2.67 H new ATOM 1626 N LEU B 46 125.489 1.517 -5.392 1.00 0.29 N ATOM 1627 CA LEU B 46 124.557 2.638 -5.617 1.00 0.31 C ATOM 1628 C LEU B 46 124.640 3.618 -4.444 1.00 0.34 C ATOM 1629 O LEU B 46 124.396 4.800 -4.591 1.00 0.40 O ATOM 1630 CB LEU B 46 123.148 2.062 -5.712 1.00 0.32 C ATOM 1631 CG LEU B 46 123.139 0.834 -6.632 1.00 0.32 C ATOM 1632 CD1 LEU B 46 121.702 0.524 -7.052 1.00 0.63 C ATOM 1633 CD2 LEU B 46 123.980 1.116 -7.881 1.00 0.56 C ATOM 0 H LEU B 46 125.081 0.590 -5.512 1.00 0.29 H new ATOM 0 HA LEU B 46 124.811 3.170 -6.534 1.00 0.31 H new ATOM 0 HB2 LEU B 46 122.793 1.785 -4.720 1.00 0.32 H new ATOM 0 HB3 LEU B 46 122.463 2.818 -6.096 1.00 0.32 H new ATOM 0 HG LEU B 46 123.559 -0.018 -6.097 1.00 0.32 H new ATOM 0 HD11 LEU B 46 121.694 -0.348 -7.706 1.00 0.63 H new ATOM 0 HD12 LEU B 46 121.100 0.319 -6.167 1.00 0.63 H new ATOM 0 HD13 LEU B 46 121.286 1.380 -7.584 1.00 0.63 H new ATOM 0 HD21 LEU B 46 123.971 0.241 -8.531 1.00 0.56 H new ATOM 0 HD22 LEU B 46 123.563 1.970 -8.415 1.00 0.56 H new ATOM 0 HD23 LEU B 46 125.006 1.338 -7.586 1.00 0.56 H new ATOM 1645 N VAL B 47 124.983 3.137 -3.281 1.00 0.35 N ATOM 1646 CA VAL B 47 125.083 4.039 -2.100 1.00 0.41 C ATOM 1647 C VAL B 47 126.403 4.812 -2.161 1.00 0.41 C ATOM 1648 O VAL B 47 126.467 5.976 -1.820 1.00 0.46 O ATOM 1649 CB VAL B 47 125.035 3.206 -0.819 1.00 0.50 C ATOM 1650 CG1 VAL B 47 125.315 4.104 0.388 1.00 0.93 C ATOM 1651 CG2 VAL B 47 123.647 2.580 -0.675 1.00 0.89 C ATOM 0 H VAL B 47 125.199 2.157 -3.098 1.00 0.35 H new ATOM 0 HA VAL B 47 124.251 4.743 -2.106 1.00 0.41 H new ATOM 0 HB VAL B 47 125.789 2.420 -0.868 1.00 0.50 H new ATOM 0 HG11 VAL B 47 125.280 3.509 1.300 1.00 0.93 H new ATOM 0 HG12 VAL B 47 126.303 4.554 0.286 1.00 0.93 H new ATOM 0 HG13 VAL B 47 124.562 4.890 0.439 1.00 0.93 H new ATOM 0 HG21 VAL B 47 123.609 1.985 0.238 1.00 0.89 H new ATOM 0 HG22 VAL B 47 122.896 3.368 -0.626 1.00 0.89 H new ATOM 0 HG23 VAL B 47 123.446 1.940 -1.534 1.00 0.89 H new ATOM 1655 N ASP B 48 127.455 4.176 -2.599 1.00 0.43 N ATOM 1656 CA ASP B 48 128.766 4.877 -2.689 1.00 0.49 C ATOM 1657 C ASP B 48 128.894 5.517 -4.072 1.00 0.48 C ATOM 1658 O ASP B 48 129.979 5.777 -4.552 1.00 0.63 O ATOM 1659 CB ASP B 48 129.901 3.871 -2.483 1.00 0.58 C ATOM 1660 CG ASP B 48 130.704 4.254 -1.239 1.00 1.06 C ATOM 1661 OD1 ASP B 48 131.511 5.164 -1.335 1.00 1.55 O ATOM 1662 OD2 ASP B 48 130.498 3.630 -0.210 1.00 1.77 O ATOM 0 H ASP B 48 127.463 3.201 -2.898 1.00 0.43 H new ATOM 0 HA ASP B 48 128.826 5.647 -1.919 1.00 0.49 H new ATOM 0 HB2 ASP B 48 129.494 2.866 -2.371 1.00 0.58 H new ATOM 0 HB3 ASP B 48 130.551 3.856 -3.358 1.00 0.58 H new ATOM 1667 N THR B 49 127.788 5.765 -4.716 1.00 0.45 N ATOM 1668 CA THR B 49 127.827 6.380 -6.070 1.00 0.49 C ATOM 1669 C THR B 49 127.036 7.691 -6.059 1.00 0.49 C ATOM 1670 O THR B 49 127.004 8.416 -7.033 1.00 0.71 O ATOM 1671 CB THR B 49 127.201 5.407 -7.071 1.00 0.49 C ATOM 1672 OG1 THR B 49 126.342 4.517 -6.376 1.00 0.61 O ATOM 1673 CG2 THR B 49 128.303 4.611 -7.770 1.00 0.69 C ATOM 0 H THR B 49 126.853 5.566 -4.359 1.00 0.45 H new ATOM 0 HA THR B 49 128.858 6.589 -6.355 1.00 0.49 H new ATOM 0 HB THR B 49 126.632 5.963 -7.816 1.00 0.49 H new ATOM 0 HG1 THR B 49 126.878 3.836 -5.918 1.00 0.61 H new ATOM 0 HG21 THR B 49 127.855 3.918 -8.483 1.00 0.69 H new ATOM 0 HG22 THR B 49 128.967 5.295 -8.297 1.00 0.69 H new ATOM 0 HG23 THR B 49 128.873 4.051 -7.029 1.00 0.69 H new ATOM 1678 N LEU B 50 126.398 8.000 -4.962 1.00 0.44 N ATOM 1679 CA LEU B 50 125.609 9.262 -4.884 1.00 0.44 C ATOM 1680 C LEU B 50 126.372 10.286 -4.037 1.00 0.54 C ATOM 1681 O LEU B 50 127.278 9.931 -3.310 1.00 0.65 O ATOM 1682 CB LEU B 50 124.254 8.970 -4.235 1.00 0.54 C ATOM 1683 CG LEU B 50 123.280 8.458 -5.297 1.00 0.59 C ATOM 1684 CD1 LEU B 50 122.130 7.712 -4.619 1.00 0.75 C ATOM 1685 CD2 LEU B 50 122.722 9.642 -6.090 1.00 0.85 C ATOM 0 H LEU B 50 126.390 7.431 -4.115 1.00 0.44 H new ATOM 0 HA LEU B 50 125.455 9.662 -5.886 1.00 0.44 H new ATOM 0 HB2 LEU B 50 124.370 8.228 -3.445 1.00 0.54 H new ATOM 0 HB3 LEU B 50 123.859 9.873 -3.770 1.00 0.54 H new ATOM 0 HG LEU B 50 123.803 7.781 -5.973 1.00 0.59 H new ATOM 0 HD11 LEU B 50 121.436 7.347 -5.376 1.00 0.75 H new ATOM 0 HD12 LEU B 50 122.527 6.868 -4.054 1.00 0.75 H new ATOM 0 HD13 LEU B 50 121.607 8.388 -3.943 1.00 0.75 H new ATOM 0 HD21 LEU B 50 122.028 9.278 -6.847 1.00 0.85 H new ATOM 0 HD22 LEU B 50 122.199 10.319 -5.414 1.00 0.85 H new ATOM 0 HD23 LEU B 50 123.541 10.174 -6.574 1.00 0.85 H new ATOM 1697 N PRO B 51 125.982 11.530 -4.158 1.00 0.56 N ATOM 1698 CA PRO B 51 126.619 12.627 -3.409 1.00 0.73 C ATOM 1699 C PRO B 51 126.513 12.372 -1.902 1.00 0.86 C ATOM 1700 O PRO B 51 126.212 11.278 -1.468 1.00 1.65 O ATOM 1701 CB PRO B 51 125.832 13.884 -3.806 1.00 0.72 C ATOM 1702 CG PRO B 51 124.759 13.461 -4.842 1.00 0.56 C ATOM 1703 CD PRO B 51 124.880 11.942 -5.046 1.00 0.48 C ATOM 0 HA PRO B 51 127.681 12.724 -3.636 1.00 0.73 H new ATOM 0 HB2 PRO B 51 125.362 14.333 -2.931 1.00 0.72 H new ATOM 0 HB3 PRO B 51 126.499 14.634 -4.231 1.00 0.72 H new ATOM 0 HG2 PRO B 51 123.762 13.721 -4.488 1.00 0.56 H new ATOM 0 HG3 PRO B 51 124.909 13.987 -5.785 1.00 0.56 H new ATOM 0 HD2 PRO B 51 123.952 11.433 -4.787 1.00 0.48 H new ATOM 0 HD3 PRO B 51 125.098 11.699 -6.086 1.00 0.48 H new ATOM 1711 N GLN B 52 126.764 13.372 -1.102 1.00 0.64 N ATOM 1712 CA GLN B 52 126.682 13.185 0.374 1.00 0.63 C ATOM 1713 C GLN B 52 125.251 13.443 0.850 1.00 0.53 C ATOM 1714 O GLN B 52 124.694 12.679 1.613 1.00 0.64 O ATOM 1715 CB GLN B 52 127.632 14.165 1.065 1.00 0.81 C ATOM 1716 CG GLN B 52 129.062 13.628 0.994 1.00 1.22 C ATOM 1717 CD GLN B 52 129.991 14.540 1.798 1.00 1.59 C ATOM 1718 OE1 GLN B 52 131.033 14.941 1.318 1.00 1.94 O ATOM 1719 NE2 GLN B 52 129.655 14.888 3.010 1.00 2.32 N ATOM 0 H GLN B 52 127.022 14.310 -1.407 1.00 0.64 H new ATOM 0 HA GLN B 52 126.966 12.162 0.623 1.00 0.63 H new ATOM 0 HB2 GLN B 52 127.575 15.142 0.585 1.00 0.81 H new ATOM 0 HB3 GLN B 52 127.336 14.303 2.105 1.00 0.81 H new ATOM 0 HG2 GLN B 52 129.100 12.613 1.389 1.00 1.22 H new ATOM 0 HG3 GLN B 52 129.392 13.579 -0.044 1.00 1.22 H new ATOM 0 HE21 GLN B 52 128.781 14.552 3.413 1.00 2.32 H new ATOM 0 HE22 GLN B 52 130.267 15.496 3.554 1.00 2.32 H new ATOM 1726 N GLU B 53 124.653 14.516 0.409 1.00 0.45 N ATOM 1727 CA GLU B 53 123.260 14.820 0.842 1.00 0.40 C ATOM 1728 C GLU B 53 122.332 13.679 0.425 1.00 0.36 C ATOM 1729 O GLU B 53 121.430 13.316 1.149 1.00 0.35 O ATOM 1730 CB GLU B 53 122.794 16.124 0.192 1.00 0.45 C ATOM 1731 CG GLU B 53 122.928 17.272 1.195 1.00 0.68 C ATOM 1732 CD GLU B 53 123.189 18.579 0.445 1.00 1.22 C ATOM 1733 OE1 GLU B 53 122.307 19.009 -0.280 1.00 1.98 O ATOM 1734 OE2 GLU B 53 124.266 19.128 0.609 1.00 1.72 O ATOM 0 H GLU B 53 125.068 15.194 -0.231 1.00 0.45 H new ATOM 0 HA GLU B 53 123.235 14.927 1.926 1.00 0.40 H new ATOM 0 HB2 GLU B 53 123.389 16.332 -0.697 1.00 0.45 H new ATOM 0 HB3 GLU B 53 121.758 16.030 -0.133 1.00 0.45 H new ATOM 0 HG2 GLU B 53 122.018 17.357 1.789 1.00 0.68 H new ATOM 0 HG3 GLU B 53 123.744 17.069 1.888 1.00 0.68 H new ATOM 1741 N THR B 54 122.544 13.099 -0.727 1.00 0.37 N ATOM 1742 CA THR B 54 121.661 11.976 -1.147 1.00 0.36 C ATOM 1743 C THR B 54 121.872 10.809 -0.187 1.00 0.37 C ATOM 1744 O THR B 54 120.996 9.994 0.019 1.00 0.38 O ATOM 1745 CB THR B 54 121.990 11.536 -2.568 1.00 0.39 C ATOM 1746 OG1 THR B 54 122.315 12.673 -3.356 1.00 0.46 O ATOM 1747 CG2 THR B 54 120.778 10.817 -3.169 1.00 0.35 C ATOM 0 H THR B 54 123.280 13.351 -1.386 1.00 0.37 H new ATOM 0 HA THR B 54 120.622 12.305 -1.123 1.00 0.36 H new ATOM 0 HB THR B 54 122.843 10.857 -2.553 1.00 0.39 H new ATOM 0 HG1 THR B 54 122.065 12.507 -4.289 1.00 0.46 H new ATOM 0 HG21 THR B 54 121.010 10.501 -4.186 1.00 0.35 H new ATOM 0 HG22 THR B 54 120.536 9.943 -2.564 1.00 0.35 H new ATOM 0 HG23 THR B 54 119.924 11.495 -3.186 1.00 0.35 H new ATOM 1752 N ARG B 55 123.025 10.734 0.420 1.00 0.39 N ATOM 1753 CA ARG B 55 123.282 9.635 1.387 1.00 0.41 C ATOM 1754 C ARG B 55 122.486 9.928 2.656 1.00 0.39 C ATOM 1755 O ARG B 55 121.594 9.190 3.025 1.00 0.41 O ATOM 1756 CB ARG B 55 124.776 9.570 1.715 1.00 0.46 C ATOM 1757 CG ARG B 55 125.389 8.331 1.060 1.00 1.27 C ATOM 1758 CD ARG B 55 126.910 8.482 1.004 1.00 1.59 C ATOM 1759 NE ARG B 55 127.500 8.047 2.302 1.00 1.97 N ATOM 1760 CZ ARG B 55 128.782 7.811 2.394 1.00 2.38 C ATOM 1761 NH1 ARG B 55 129.553 7.957 1.350 1.00 2.65 N ATOM 1762 NH2 ARG B 55 129.293 7.430 3.533 1.00 3.14 N ATOM 0 H ARG B 55 123.798 11.386 0.287 1.00 0.39 H new ATOM 0 HA ARG B 55 122.979 8.678 0.962 1.00 0.41 H new ATOM 0 HB2 ARG B 55 125.277 10.469 1.357 1.00 0.46 H new ATOM 0 HB3 ARG B 55 124.921 9.533 2.795 1.00 0.46 H new ATOM 0 HG2 ARG B 55 125.122 7.438 1.626 1.00 1.27 H new ATOM 0 HG3 ARG B 55 124.989 8.203 0.054 1.00 1.27 H new ATOM 0 HD2 ARG B 55 127.316 7.883 0.189 1.00 1.59 H new ATOM 0 HD3 ARG B 55 127.176 9.519 0.801 1.00 1.59 H new ATOM 0 HE ARG B 55 126.902 7.933 3.120 1.00 1.97 H new ATOM 0 HH11 ARG B 55 129.155 8.256 0.460 1.00 2.65 H new ATOM 0 HH12 ARG B 55 130.553 7.772 1.425 1.00 2.65 H new ATOM 0 HH21 ARG B 55 128.692 7.317 4.349 1.00 3.14 H new ATOM 0 HH22 ARG B 55 130.293 7.245 3.607 1.00 3.14 H new ATOM 1776 N ILE B 56 122.779 11.019 3.315 1.00 0.39 N ATOM 1777 CA ILE B 56 122.009 11.363 4.540 1.00 0.39 C ATOM 1778 C ILE B 56 120.549 11.508 4.160 1.00 0.34 C ATOM 1779 O ILE B 56 119.692 11.544 5.003 1.00 0.35 O ATOM 1780 CB ILE B 56 122.475 12.698 5.131 1.00 0.42 C ATOM 1781 CG1 ILE B 56 123.815 12.501 5.845 1.00 0.47 C ATOM 1782 CG2 ILE B 56 121.417 13.191 6.143 1.00 0.42 C ATOM 1783 CD1 ILE B 56 124.854 13.452 5.250 1.00 0.63 C ATOM 0 H ILE B 56 123.512 11.680 3.058 1.00 0.39 H new ATOM 0 HA ILE B 56 122.161 10.575 5.278 1.00 0.39 H new ATOM 0 HB ILE B 56 122.598 13.433 4.336 1.00 0.42 H new ATOM 0 HG12 ILE B 56 123.702 12.691 6.912 1.00 0.47 H new ATOM 0 HG13 ILE B 56 124.148 11.469 5.738 1.00 0.47 H new ATOM 0 HG21 ILE B 56 121.738 14.141 6.571 1.00 0.42 H new ATOM 0 HG22 ILE B 56 120.462 13.326 5.635 1.00 0.42 H new ATOM 0 HG23 ILE B 56 121.304 12.455 6.939 1.00 0.42 H new ATOM 0 HD11 ILE B 56 125.808 13.312 5.758 1.00 0.63 H new ATOM 0 HD12 ILE B 56 124.974 13.241 4.187 1.00 0.63 H new ATOM 0 HD13 ILE B 56 124.521 14.482 5.380 1.00 0.63 H new ATOM 1790 N ASN B 57 120.253 11.623 2.903 1.00 0.31 N ATOM 1791 CA ASN B 57 118.851 11.784 2.511 1.00 0.28 C ATOM 1792 C ASN B 57 118.164 10.423 2.571 1.00 0.26 C ATOM 1793 O ASN B 57 117.290 10.220 3.368 1.00 0.27 O ATOM 1794 CB ASN B 57 118.800 12.360 1.108 1.00 0.27 C ATOM 1795 CG ASN B 57 118.919 13.884 1.176 1.00 0.38 C ATOM 1796 OD1 ASN B 57 118.444 14.582 0.304 1.00 0.65 O ATOM 1797 ND2 ASN B 57 119.538 14.433 2.186 1.00 0.35 N ATOM 0 H ASN B 57 120.926 11.612 2.137 1.00 0.31 H new ATOM 0 HA ASN B 57 118.333 12.465 3.187 1.00 0.28 H new ATOM 0 HB2 ASN B 57 119.609 11.948 0.505 1.00 0.27 H new ATOM 0 HB3 ASN B 57 117.866 12.079 0.622 1.00 0.27 H new ATOM 0 HD21 ASN B 57 119.622 15.448 2.242 1.00 0.35 H new ATOM 0 HD22 ASN B 57 119.937 13.847 2.919 1.00 0.35 H new ATOM 1804 N ILE B 58 118.553 9.485 1.751 1.00 0.26 N ATOM 1805 CA ILE B 58 117.907 8.145 1.805 1.00 0.26 C ATOM 1806 C ILE B 58 117.984 7.598 3.237 1.00 0.30 C ATOM 1807 O ILE B 58 117.168 6.802 3.640 1.00 0.33 O ATOM 1808 CB ILE B 58 118.622 7.175 0.837 1.00 0.28 C ATOM 1809 CG1 ILE B 58 118.120 7.343 -0.607 1.00 0.31 C ATOM 1810 CG2 ILE B 58 118.360 5.733 1.263 1.00 0.33 C ATOM 1811 CD1 ILE B 58 116.663 7.808 -0.626 1.00 0.26 C ATOM 0 H ILE B 58 119.286 9.589 1.050 1.00 0.26 H new ATOM 0 HA ILE B 58 116.863 8.237 1.507 1.00 0.26 H new ATOM 0 HB ILE B 58 119.687 7.406 0.874 1.00 0.28 H new ATOM 0 HG12 ILE B 58 118.744 8.067 -1.132 1.00 0.31 H new ATOM 0 HG13 ILE B 58 118.211 6.397 -1.141 1.00 0.31 H new ATOM 0 HG21 ILE B 58 118.866 5.053 0.577 1.00 0.33 H new ATOM 0 HG22 ILE B 58 118.738 5.578 2.273 1.00 0.33 H new ATOM 0 HG23 ILE B 58 117.288 5.537 1.243 1.00 0.33 H new ATOM 0 HD11 ILE B 58 116.330 7.920 -1.658 1.00 0.26 H new ATOM 0 HD12 ILE B 58 116.039 7.070 -0.121 1.00 0.26 H new ATOM 0 HD13 ILE B 58 116.580 8.766 -0.112 1.00 0.26 H new ATOM 1818 N VAL B 59 118.947 8.012 4.011 1.00 0.32 N ATOM 1819 CA VAL B 59 119.038 7.510 5.409 1.00 0.36 C ATOM 1820 C VAL B 59 118.071 8.324 6.263 1.00 0.36 C ATOM 1821 O VAL B 59 117.385 7.817 7.128 1.00 0.39 O ATOM 1822 CB VAL B 59 120.460 7.721 5.926 1.00 0.41 C ATOM 1823 CG1 VAL B 59 120.577 7.134 7.327 1.00 0.49 C ATOM 1824 CG2 VAL B 59 121.463 7.030 5.002 1.00 0.40 C ATOM 0 H VAL B 59 119.673 8.674 3.737 1.00 0.32 H new ATOM 0 HA VAL B 59 118.790 6.449 5.452 1.00 0.36 H new ATOM 0 HB VAL B 59 120.677 8.789 5.951 1.00 0.41 H new ATOM 0 HG11 VAL B 59 121.590 7.282 7.700 1.00 0.49 H new ATOM 0 HG12 VAL B 59 119.870 7.632 7.990 1.00 0.49 H new ATOM 0 HG13 VAL B 59 120.355 6.067 7.294 1.00 0.49 H new ATOM 0 HG21 VAL B 59 122.473 7.187 5.380 1.00 0.40 H new ATOM 0 HG22 VAL B 59 121.250 5.962 4.968 1.00 0.40 H new ATOM 0 HG23 VAL B 59 121.382 7.448 3.999 1.00 0.40 H new ATOM 1828 N LYS B 60 118.017 9.590 5.989 1.00 0.34 N ATOM 1829 CA LYS B 60 117.107 10.510 6.719 1.00 0.34 C ATOM 1830 C LYS B 60 115.772 10.557 5.962 1.00 0.29 C ATOM 1831 O LYS B 60 114.895 11.346 6.255 1.00 0.28 O ATOM 1832 CB LYS B 60 117.766 11.894 6.736 1.00 0.35 C ATOM 1833 CG LYS B 60 119.095 11.809 7.489 1.00 0.41 C ATOM 1834 CD LYS B 60 118.831 11.350 8.920 1.00 0.48 C ATOM 1835 CE LYS B 60 119.996 11.769 9.818 1.00 0.56 C ATOM 1836 NZ LYS B 60 119.847 11.133 11.157 1.00 1.49 N ATOM 0 H LYS B 60 118.581 10.041 5.269 1.00 0.34 H new ATOM 0 HA LYS B 60 116.925 10.180 7.742 1.00 0.34 H new ATOM 0 HB2 LYS B 60 117.933 12.243 5.717 1.00 0.35 H new ATOM 0 HB3 LYS B 60 117.108 12.618 7.217 1.00 0.35 H new ATOM 0 HG2 LYS B 60 119.767 11.111 6.988 1.00 0.41 H new ATOM 0 HG3 LYS B 60 119.589 12.781 7.491 1.00 0.41 H new ATOM 0 HD2 LYS B 60 117.902 11.786 9.286 1.00 0.48 H new ATOM 0 HD3 LYS B 60 118.708 10.267 8.948 1.00 0.48 H new ATOM 0 HE2 LYS B 60 120.942 11.472 9.366 1.00 0.56 H new ATOM 0 HE3 LYS B 60 120.018 12.854 9.920 1.00 0.56 H new ATOM 0 HZ1 LYS B 60 120.640 11.418 11.767 1.00 1.49 H new ATOM 0 HZ2 LYS B 60 118.951 11.438 11.588 1.00 1.49 H new ATOM 0 HZ3 LYS B 60 119.846 10.098 11.052 1.00 1.49 H new ATOM 1850 N LEU B 61 115.641 9.716 4.967 1.00 0.27 N ATOM 1851 CA LEU B 61 114.419 9.664 4.130 1.00 0.24 C ATOM 1852 C LEU B 61 113.685 8.366 4.427 1.00 0.27 C ATOM 1853 O LEU B 61 112.484 8.340 4.603 1.00 0.29 O ATOM 1854 CB LEU B 61 114.897 9.672 2.676 1.00 0.20 C ATOM 1855 CG LEU B 61 113.790 9.383 1.648 1.00 0.18 C ATOM 1856 CD1 LEU B 61 114.028 8.003 1.072 1.00 0.25 C ATOM 1857 CD2 LEU B 61 112.384 9.439 2.256 1.00 0.24 C ATOM 0 H LEU B 61 116.359 9.044 4.698 1.00 0.27 H new ATOM 0 HA LEU B 61 113.747 10.500 4.325 1.00 0.24 H new ATOM 0 HB2 LEU B 61 115.338 10.644 2.455 1.00 0.20 H new ATOM 0 HB3 LEU B 61 115.687 8.930 2.561 1.00 0.20 H new ATOM 0 HG LEU B 61 113.835 10.154 0.879 1.00 0.18 H new ATOM 0 HD11 LEU B 61 113.254 7.776 0.339 1.00 0.25 H new ATOM 0 HD12 LEU B 61 115.005 7.974 0.589 1.00 0.25 H new ATOM 0 HD13 LEU B 61 113.997 7.264 1.873 1.00 0.25 H new ATOM 0 HD21 LEU B 61 111.645 9.227 1.483 1.00 0.24 H new ATOM 0 HD22 LEU B 61 112.301 8.697 3.051 1.00 0.24 H new ATOM 0 HD23 LEU B 61 112.205 10.433 2.667 1.00 0.24 H new ATOM 1869 N THR B 62 114.404 7.287 4.473 1.00 0.33 N ATOM 1870 CA THR B 62 113.757 5.989 4.741 1.00 0.38 C ATOM 1871 C THR B 62 113.017 6.068 6.077 1.00 0.45 C ATOM 1872 O THR B 62 112.152 5.267 6.373 1.00 0.60 O ATOM 1873 CB THR B 62 114.818 4.885 4.820 1.00 0.41 C ATOM 1874 OG1 THR B 62 115.567 4.853 3.618 1.00 0.37 O ATOM 1875 CG2 THR B 62 114.135 3.533 5.037 1.00 0.49 C ATOM 0 H THR B 62 115.414 7.251 4.336 1.00 0.33 H new ATOM 0 HA THR B 62 113.058 5.760 3.937 1.00 0.38 H new ATOM 0 HB THR B 62 115.489 5.090 5.654 1.00 0.41 H new ATOM 0 HG1 THR B 62 116.423 5.311 3.754 1.00 0.37 H new ATOM 0 HG21 THR B 62 114.890 2.749 5.093 1.00 0.49 H new ATOM 0 HG22 THR B 62 113.567 3.557 5.967 1.00 0.49 H new ATOM 0 HG23 THR B 62 113.460 3.329 4.206 1.00 0.49 H new ATOM 1880 N GLU B 63 113.358 7.028 6.893 1.00 0.52 N ATOM 1881 CA GLU B 63 112.680 7.162 8.210 1.00 0.61 C ATOM 1882 C GLU B 63 111.360 7.904 8.013 1.00 0.58 C ATOM 1883 O GLU B 63 110.341 7.541 8.565 1.00 0.78 O ATOM 1884 CB GLU B 63 113.572 7.954 9.169 1.00 0.76 C ATOM 1885 CG GLU B 63 114.694 7.053 9.686 1.00 1.06 C ATOM 1886 CD GLU B 63 115.115 7.513 11.083 1.00 1.64 C ATOM 1887 OE1 GLU B 63 114.472 7.107 12.038 1.00 2.39 O ATOM 1888 OE2 GLU B 63 116.072 8.264 11.175 1.00 2.08 O ATOM 0 H GLU B 63 114.078 7.725 6.703 1.00 0.52 H new ATOM 0 HA GLU B 63 112.492 6.174 8.630 1.00 0.61 H new ATOM 0 HB2 GLU B 63 113.993 8.820 8.659 1.00 0.76 H new ATOM 0 HB3 GLU B 63 112.981 8.332 10.003 1.00 0.76 H new ATOM 0 HG2 GLU B 63 114.357 6.017 9.719 1.00 1.06 H new ATOM 0 HG3 GLU B 63 115.546 7.090 9.007 1.00 1.06 H new ATOM 1895 N LYS B 64 111.370 8.939 7.219 1.00 0.51 N ATOM 1896 CA LYS B 64 110.117 9.701 6.975 1.00 0.56 C ATOM 1897 C LYS B 64 109.138 8.817 6.204 1.00 0.51 C ATOM 1898 O LYS B 64 107.937 8.971 6.304 1.00 0.67 O ATOM 1899 CB LYS B 64 110.432 10.954 6.155 1.00 0.68 C ATOM 1900 CG LYS B 64 110.253 12.196 7.031 1.00 0.93 C ATOM 1901 CD LYS B 64 111.608 12.616 7.604 1.00 0.97 C ATOM 1902 CE LYS B 64 111.557 14.091 8.006 1.00 1.02 C ATOM 1903 NZ LYS B 64 110.425 14.310 8.949 1.00 1.64 N ATOM 0 H LYS B 64 112.193 9.289 6.729 1.00 0.51 H new ATOM 0 HA LYS B 64 109.674 9.997 7.926 1.00 0.56 H new ATOM 0 HB2 LYS B 64 111.453 10.907 5.777 1.00 0.68 H new ATOM 0 HB3 LYS B 64 109.773 11.009 5.288 1.00 0.68 H new ATOM 0 HG2 LYS B 64 109.826 13.010 6.444 1.00 0.93 H new ATOM 0 HG3 LYS B 64 109.553 11.986 7.840 1.00 0.93 H new ATOM 0 HD2 LYS B 64 111.855 12.001 8.469 1.00 0.97 H new ATOM 0 HD3 LYS B 64 112.393 12.457 6.864 1.00 0.97 H new ATOM 0 HE2 LYS B 64 112.497 14.384 8.475 1.00 1.02 H new ATOM 0 HE3 LYS B 64 111.434 14.716 7.122 1.00 1.02 H new ATOM 0 HZ1 LYS B 64 110.571 15.200 9.466 1.00 1.64 H new ATOM 0 HZ2 LYS B 64 109.534 14.362 8.415 1.00 1.64 H new ATOM 0 HZ3 LYS B 64 110.379 13.521 9.625 1.00 1.64 H new ATOM 1917 N ILE B 65 109.640 7.889 5.434 1.00 0.40 N ATOM 1918 CA ILE B 65 108.734 6.997 4.662 1.00 0.48 C ATOM 1919 C ILE B 65 108.254 5.855 5.559 1.00 0.54 C ATOM 1920 O ILE B 65 107.094 5.495 5.558 1.00 0.70 O ATOM 1921 CB ILE B 65 109.488 6.425 3.464 1.00 0.53 C ATOM 1922 CG1 ILE B 65 108.497 5.758 2.509 1.00 0.93 C ATOM 1923 CG2 ILE B 65 110.497 5.393 3.953 1.00 0.51 C ATOM 1924 CD1 ILE B 65 109.259 4.898 1.500 1.00 0.71 C ATOM 0 H ILE B 65 110.637 7.712 5.308 1.00 0.40 H new ATOM 0 HA ILE B 65 107.873 7.566 4.312 1.00 0.48 H new ATOM 0 HB ILE B 65 110.009 7.227 2.941 1.00 0.53 H new ATOM 0 HG12 ILE B 65 107.794 5.142 3.070 1.00 0.93 H new ATOM 0 HG13 ILE B 65 107.912 6.516 1.988 1.00 0.93 H new ATOM 0 HG21 ILE B 65 111.038 4.981 3.101 1.00 0.51 H new ATOM 0 HG22 ILE B 65 111.202 5.868 4.635 1.00 0.51 H new ATOM 0 HG23 ILE B 65 109.974 4.590 4.473 1.00 0.51 H new ATOM 0 HD11 ILE B 65 108.552 4.423 0.820 1.00 0.71 H new ATOM 0 HD12 ILE B 65 109.944 5.526 0.931 1.00 0.71 H new ATOM 0 HD13 ILE B 65 109.824 4.131 2.029 1.00 0.71 H new ATOM 1931 N LEU B 66 109.143 5.276 6.316 1.00 0.52 N ATOM 1932 CA LEU B 66 108.764 4.156 7.201 1.00 0.66 C ATOM 1933 C LEU B 66 108.350 4.690 8.574 1.00 0.87 C ATOM 1934 O LEU B 66 107.188 4.677 8.930 1.00 1.41 O ATOM 1935 CB LEU B 66 109.975 3.246 7.337 1.00 0.68 C ATOM 1936 CG LEU B 66 109.926 2.176 6.248 1.00 0.62 C ATOM 1937 CD1 LEU B 66 111.300 2.048 5.593 1.00 0.89 C ATOM 1938 CD2 LEU B 66 109.537 0.836 6.870 1.00 1.22 C ATOM 0 H LEU B 66 110.128 5.540 6.355 1.00 0.52 H new ATOM 0 HA LEU B 66 107.920 3.607 6.783 1.00 0.66 H new ATOM 0 HB2 LEU B 66 110.893 3.827 7.251 1.00 0.68 H new ATOM 0 HB3 LEU B 66 109.985 2.779 8.322 1.00 0.68 H new ATOM 0 HG LEU B 66 109.190 2.459 5.496 1.00 0.62 H new ATOM 0 HD11 LEU B 66 111.263 1.284 4.816 1.00 0.89 H new ATOM 0 HD12 LEU B 66 111.582 3.003 5.150 1.00 0.89 H new ATOM 0 HD13 LEU B 66 112.037 1.765 6.345 1.00 0.89 H new ATOM 0 HD21 LEU B 66 109.502 0.071 6.094 1.00 1.22 H new ATOM 0 HD22 LEU B 66 110.275 0.556 7.622 1.00 1.22 H new ATOM 0 HD23 LEU B 66 108.557 0.923 7.338 1.00 1.22 H new ATOM 1950 N THR B 67 109.290 5.157 9.350 1.00 1.17 N ATOM 1951 CA THR B 67 108.945 5.687 10.699 1.00 1.31 C ATOM 1952 C THR B 67 108.546 7.159 10.583 1.00 1.31 C ATOM 1953 O THR B 67 109.136 8.023 11.200 1.00 1.75 O ATOM 1954 CB THR B 67 110.156 5.557 11.626 1.00 1.42 C ATOM 1955 OG1 THR B 67 109.828 6.078 12.907 1.00 1.87 O ATOM 1956 CG2 THR B 67 111.335 6.337 11.043 1.00 1.55 C ATOM 0 H THR B 67 110.280 5.194 9.108 1.00 1.17 H new ATOM 0 HA THR B 67 108.112 5.117 11.110 1.00 1.31 H new ATOM 0 HB THR B 67 110.430 4.506 11.720 1.00 1.42 H new ATOM 0 HG1 THR B 67 109.682 7.045 12.839 1.00 1.87 H new ATOM 0 HG21 THR B 67 112.196 6.243 11.705 1.00 1.55 H new ATOM 0 HG22 THR B 67 111.586 5.936 10.061 1.00 1.55 H new ATOM 0 HG23 THR B 67 111.064 7.388 10.947 1.00 1.55 H new ATOM 1961 N SER B 68 107.546 7.451 9.796 1.00 1.41 N ATOM 1962 CA SER B 68 107.108 8.865 9.642 1.00 1.44 C ATOM 1963 C SER B 68 106.415 9.324 10.932 1.00 1.57 C ATOM 1964 O SER B 68 105.366 8.816 11.277 1.00 1.53 O ATOM 1965 CB SER B 68 106.123 8.965 8.476 1.00 1.45 C ATOM 1966 OG SER B 68 104.804 8.739 8.955 1.00 1.64 O ATOM 0 H SER B 68 107.014 6.770 9.254 1.00 1.41 H new ATOM 0 HA SER B 68 107.974 9.498 9.446 1.00 1.44 H new ATOM 0 HB2 SER B 68 106.190 9.949 8.012 1.00 1.45 H new ATOM 0 HB3 SER B 68 106.374 8.233 7.709 1.00 1.45 H new ATOM 0 HG SER B 68 104.840 8.187 9.764 1.00 1.64 H new ATOM 1972 N PRO B 69 107.017 10.271 11.611 1.00 2.18 N ATOM 1973 CA PRO B 69 106.460 10.802 12.868 1.00 2.46 C ATOM 1974 C PRO B 69 105.077 11.409 12.619 1.00 2.26 C ATOM 1975 O PRO B 69 104.425 11.111 11.638 1.00 2.49 O ATOM 1976 CB PRO B 69 107.454 11.884 13.314 1.00 3.40 C ATOM 1977 CG PRO B 69 108.594 11.938 12.264 1.00 3.73 C ATOM 1978 CD PRO B 69 108.288 10.885 11.188 1.00 2.89 C ATOM 0 HA PRO B 69 106.333 10.028 13.625 1.00 2.46 H new ATOM 0 HB2 PRO B 69 106.958 12.851 13.390 1.00 3.40 H new ATOM 0 HB3 PRO B 69 107.854 11.653 14.301 1.00 3.40 H new ATOM 0 HG2 PRO B 69 108.658 12.931 11.820 1.00 3.73 H new ATOM 0 HG3 PRO B 69 109.557 11.736 12.734 1.00 3.73 H new ATOM 0 HD2 PRO B 69 108.198 11.342 10.202 1.00 2.89 H new ATOM 0 HD3 PRO B 69 109.084 10.143 11.124 1.00 2.89 H new ATOM 1986 N LEU B 70 104.623 12.257 13.501 1.00 2.58 N ATOM 1987 CA LEU B 70 103.282 12.880 13.313 1.00 2.92 C ATOM 1988 C LEU B 70 102.212 11.787 13.282 1.00 3.50 C ATOM 1989 O LEU B 70 102.470 10.644 13.602 1.00 4.10 O ATOM 1990 CB LEU B 70 103.260 13.654 11.993 1.00 3.40 C ATOM 1991 CG LEU B 70 104.108 14.919 12.130 1.00 3.91 C ATOM 1992 CD1 LEU B 70 105.575 14.583 11.856 1.00 4.48 C ATOM 1993 CD2 LEU B 70 103.629 15.964 11.120 1.00 4.71 C ATOM 0 H LEU B 70 105.122 12.545 14.343 1.00 2.58 H new ATOM 0 HA LEU B 70 103.079 13.563 14.138 1.00 2.92 H new ATOM 0 HB2 LEU B 70 103.646 13.030 11.187 1.00 3.40 H new ATOM 0 HB3 LEU B 70 102.235 13.917 11.730 1.00 3.40 H new ATOM 0 HG LEU B 70 104.009 15.315 13.141 1.00 3.91 H new ATOM 0 HD11 LEU B 70 106.179 15.485 11.954 1.00 4.48 H new ATOM 0 HD12 LEU B 70 105.918 13.837 12.573 1.00 4.48 H new ATOM 0 HD13 LEU B 70 105.675 14.187 10.845 1.00 4.48 H new ATOM 0 HD21 LEU B 70 104.233 16.867 11.216 1.00 4.71 H new ATOM 0 HD22 LEU B 70 103.729 15.567 10.110 1.00 4.71 H new ATOM 0 HD23 LEU B 70 102.584 16.204 11.313 1.00 4.71 H new ATOM 2005 N CYS B 71 101.012 12.129 12.899 1.00 3.92 N ATOM 2006 CA CYS B 71 99.928 11.108 12.848 1.00 4.97 C ATOM 2007 C CYS B 71 100.456 9.836 12.182 1.00 5.36 C ATOM 2008 O CYS B 71 100.825 8.885 12.843 1.00 5.72 O ATOM 2009 CB CYS B 71 98.749 11.655 12.040 1.00 5.64 C ATOM 2010 SG CYS B 71 99.370 12.519 10.576 1.00 6.44 S ATOM 0 H CYS B 71 100.736 13.070 12.620 1.00 3.92 H new ATOM 0 HA CYS B 71 99.598 10.878 13.861 1.00 4.97 H new ATOM 0 HB2 CYS B 71 98.089 10.840 11.742 1.00 5.64 H new ATOM 0 HB3 CYS B 71 98.158 12.335 12.654 1.00 5.64 H new ATOM 0 HG CYS B 71 99.918 13.642 10.935 1.00 6.44 H new TER 2016 CYS B 71 HETATM 2017 C1 PCB A 78 117.075 -0.494 0.140 1.00 0.28 C HETATM 2018 C2 PCB A 78 117.424 -1.156 -1.045 1.00 0.34 C HETATM 2019 CL2 PCB A 78 116.979 -0.478 -2.584 1.00 0.49 CL HETATM 2020 C3 PCB A 78 118.130 -2.366 -0.990 1.00 0.36 C HETATM 2021 C4 PCB A 78 118.488 -2.915 0.249 1.00 0.36 C HETATM 2022 C5 PCB A 78 118.139 -2.251 1.435 1.00 0.38 C HETATM 2023 CL5 PCB A 78 118.580 -2.926 2.976 1.00 0.55 CL HETATM 2024 C6 PCB A 78 117.432 -1.041 1.379 1.00 0.32 C HETATM 2025 S PCB A 78 119.382 -4.445 0.313 1.00 0.44 S HETATM 2026 O1 PCB A 78 120.242 -4.422 1.467 1.00 0.52 O HETATM 2027 O2 PCB A 78 119.977 -4.671 -0.979 1.00 0.64 O HETATM 2028 CM PCB A 78 118.097 -5.692 0.573 1.00 0.32 C HETATM 2029 C1' PCB A 78 116.368 0.716 0.085 1.00 0.28 C HETATM 2030 C2' PCB A 78 117.031 1.901 -0.258 1.00 0.34 C HETATM 2031 CL2' PCB A 78 118.734 1.872 -0.616 1.00 0.48 CL HETATM 2032 C3' PCB A 78 116.324 3.111 -0.311 1.00 0.36 C HETATM 2033 C4' PCB A 78 114.953 3.136 -0.022 1.00 0.36 C HETATM 2034 C5' PCB A 78 114.289 1.948 0.321 1.00 0.38 C HETATM 2035 CL5' PCB A 78 112.587 1.972 0.681 1.00 0.55 CL HETATM 2036 C6' PCB A 78 114.997 0.739 0.374 1.00 0.32 C HETATM 2037 S' PCB A 78 114.063 4.668 -0.092 1.00 0.44 S HETATM 2038 O1' PCB A 78 112.712 4.391 -0.507 1.00 1.43 O HETATM 2039 O2' PCB A 78 114.838 5.602 -0.867 1.00 1.18 O HETATM 2040 CM' PCB A 78 114.037 5.237 1.625 1.00 0.32 C HETATM 0 HM'3 PCB A 78 113.109 5.776 1.816 1.00 0.32 H new HETATM 0 HM'2 PCB A 78 114.102 4.379 2.294 1.00 0.32 H new HETATM 0 HM'1 PCB A 78 114.884 5.899 1.802 1.00 0.32 H new HETATM 0 HM3 PCB A 78 118.520 -6.545 1.104 1.00 0.32 H new HETATM 0 HM2 PCB A 78 117.287 -5.263 1.163 1.00 0.32 H new HETATM 0 HM1 PCB A 78 117.709 -6.021 -0.391 1.00 0.32 H new HETATM 0 H6' PCB A 78 114.481 -0.183 0.640 1.00 0.32 H new HETATM 0 H6 PCB A 78 117.160 -0.526 2.300 1.00 0.32 H new HETATM 0 H3' PCB A 78 116.841 4.033 -0.577 1.00 0.36 H new HETATM 0 H3 PCB A 78 118.401 -2.880 -1.912 1.00 0.36 H new CONECT 2017 2018 2024 2029 CONECT 2018 2017 2019 2020 CONECT 2019 2018 CONECT 2020 2018 2021 2041 CONECT 2021 2020 2022 2025 CONECT 2022 2021 2023 2024 CONECT 2023 2022 CONECT 2024 2017 2022 2042 CONECT 2025 2021 2026 2027 2028 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2025 2043 2044 2045 CONECT 2029 2017 2030 2036 CONECT 2030 2029 2031 2032 CONECT 2031 2030 CONECT 2032 2030 2033 2046 CONECT 2033 2032 2034 2037 CONECT 2034 2033 2035 2036 CONECT 2035 2034 CONECT 2036 2029 2034 2047 CONECT 2037 2033 2038 2039 2040 CONECT 2038 2037 CONECT 2039 2037 CONECT 2040 2037 2048 2049 2050 CONECT 2041 2020 CONECT 2042 2024 CONECT 2043 2028 CONECT 2044 2028 CONECT 2045 2028 CONECT 2046 2032 CONECT 2047 2036 CONECT 2048 2040 CONECT 2049 2040 CONECT 2050 2040 END