USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 19-FEB-05 1YX7 TITLE NMR STRUCTURE OF CALSENSIN, ENERGY MINIMIZED AVERAGE TITLE 2 STRUCTURE. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALSENSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LAN3-6 ANTIGEN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPIS MARMORATA; SOURCE 3 ORGANISM_TAXID: 38567; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX4T3 KEYWDS CALSENSIN, CALCIUM-BINDING PROTEIN EF-HAND, HELIX-LOOP- KEYWDS 2 HELIX, NERVOUS SYSTEM, METAL BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR D.V.VENKITARAMANI,D.B.FULTON,A.H.ANDREOTTI,K.M.JOHANSEN, AUTHOR 2 J.JOHANSEN REVDAT 3 24-FEB-09 1YX7 1 VERSN REVDAT 2 13-DEC-05 1YX7 1 JRNL REVDAT 1 01-APR-05 1YX7 0 JRNL AUTH D.V.VENKITARAMANI,D.B.FULTON,A.H.ANDREOTTI, JRNL AUTH 2 K.M.JOHANSEN,J.JOHANSEN JRNL TITL SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF JRNL TITL 2 CALSENSIN, AN INVERTEBRATE NEURONAL JRNL TITL 3 CALCIUM-BINDING PROTEIN. JRNL REF PROTEIN SCI. V. 14 1894 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 15937283 JRNL DOI 10.1110/PS.051412605 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YX7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032025. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 125 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.7 MM CALSENSIN, U15N, 13C; REMARK 210 125 MM PHOSPHATE BUFFER, 2 MM REMARK 210 DTT; 1.7 MM CALSENSIN, U15N; REMARK 210 125 MM PHOSPHATE BUFFER, 2 MM REMARK 210 DTT; 1.5 MM CALSENSIN, 125 MM REMARK 210 PHOSPHATE BUFFER, 2 MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY, REMARK 210 2D TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, NMRPIPE 1.0, NMRVIEW REMARK 210 5.0.4 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LEU A 16 OG1 THR A 25 2.09 REMARK 500 O GLU A 69 ND2 ASN A 73 2.10 REMARK 500 O LEU A 27 NE2 GLN A 30 2.12 REMARK 500 O LYS A 65 OE2 GLU A 69 2.17 REMARK 500 OD1 ASP A 45 OE2 GLU A 49 2.17 REMARK 500 O ALA A 12 N LEU A 16 2.18 REMARK 500 REMARK 500 REMARK: NULL 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 CYS A 3 -151.21 36.73 REMARK 500 LYS A 4 -152.46 -162.82 REMARK 500 LYS A 6 -34.31 158.52 REMARK 500 ALA A 7 1.77 -66.78 REMARK 500 ASP A 17 53.29 -140.62 REMARK 500 ASN A 19 -23.64 -147.26 REMARK 500 ASP A 21 -45.13 -148.29 REMARK 500 ALA A 26 -18.29 -48.62 REMARK 500 LEU A 36 62.17 -160.59 REMARK 500 TYR A 39 18.39 46.14 REMARK 500 LYS A 40 43.22 -67.21 REMARK 500 ALA A 41 16.89 -161.30 REMARK 500 LEU A 42 -120.56 -90.57 REMARK 500 SER A 43 -84.02 42.50 REMARK 500 ASP A 45 20.70 124.48 REMARK 500 ALA A 58 -29.41 -168.42 REMARK 500 ASN A 61 14.45 -151.05 REMARK 500 SER A 62 71.31 98.58 REMARK 500 ASP A 63 -35.93 -137.20 REMARK 500 SER A 67 -143.76 163.75 REMARK 500 LYS A 68 -36.20 -38.38 REMARK 500 GLN A 81 124.16 92.21 REMARK 500 LEU A 82 -169.14 148.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YX8 RELATED DB: PDB DBREF 1YX7 A 1 83 UNP Q25088 CLSS_HAEMA 1 83 SEQRES 1 A 83 MET ALA CYS LYS VAL LYS ALA GLU LEU GLU ALA ALA PHE SEQRES 2 A 83 LYS LYS LEU ASP ALA ASN GLY ASP GLY TYR VAL THR ALA SEQRES 3 A 83 LEU GLU LEU GLN THR PHE MET VAL THR LEU ASP ALA TYR SEQRES 4 A 83 LYS ALA LEU SER LYS ASP LYS VAL LYS GLU ALA SER ALA SEQRES 5 A 83 LYS LEU ILE LYS MET ALA ASP LYS ASN SER ASP GLY LYS SEQRES 6 A 83 ILE SER LYS GLU GLU PHE LEU ASN ALA ASN ALA GLU LEU SEQRES 7 A 83 LEU CYS GLN LEU LYS HELIX 1 1 ALA A 7 ASP A 17 1 11 HELIX 2 2 THR A 25 ASP A 37 1 13 HELIX 3 3 VAL A 47 LYS A 56 1 10 HELIX 4 4 SER A 67 CYS A 80 1 14 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 39 TYR OH : rot 30:sc= 0.253 USER MOD Set 1.2: A 75 ASN : amide:sc= -4.35! C(o=-4.1!,f=-5.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0719) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.0331 USER MOD Single : A 4 LYS NZ :NH3+ -148:sc= -1 (180deg=-1.99!) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.851 (180deg=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -1.45! (180deg=-2.67!) USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= -5.72! (180deg=-9.45!) USER MOD Single : A 19 ASN : amide:sc= -0.928 K(o=-0.93,f=0) USER MOD Single : A 23 TYR OH : rot 152:sc= 1.11 USER MOD Single : A 25 THR OG1 : rot 136:sc= -1.79! USER MOD Single : A 30 GLN : amide:sc= -17.4! C(o=-17!,f=-7.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -164:sc= -1.2! (180deg=-2.98!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= -6.88! (180deg=-10.2!) USER MOD Single : A 43 SER OG : rot 180:sc= -5.11! USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.063 (180deg=-0.396) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -3.75! (180deg=-6.98!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00775 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0366) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.153 (180deg=-0.683) USER MOD Single : A 57 MET CE :methyl -107:sc= -7.76! (180deg=-10.3!) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.827! (180deg=-1.95!) USER MOD Single : A 61 ASN : amide:sc= -3.99! C(o=-4!,f=-1.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -13.9! (180deg=-14.6!) USER MOD Single : A 67 SER OG : rot 130:sc= -0.236 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= -4.7! (180deg=-4.79!) USER MOD Single : A 73 ASN : amide:sc= -9.95! C(o=-9.9!,f=-6.5!) USER MOD Single : A 80 CYS SG : rot -140:sc= -2.65! USER MOD Single : A 81 GLN : amide:sc= -1.82! K(o=-1.8!,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= -0.367! (180deg=-1.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 111.242 21.903 -5.150 1.00 3.91 N ATOM 2 CA MET A 1 111.182 22.435 -3.763 1.00 3.05 C ATOM 3 C MET A 1 110.811 21.340 -2.768 1.00 3.02 C ATOM 4 O MET A 1 111.357 21.277 -1.667 1.00 3.52 O ATOM 5 CB MET A 1 110.149 23.562 -3.718 1.00 2.93 C ATOM 6 CG MET A 1 108.802 23.131 -3.163 1.00 3.14 C ATOM 7 SD MET A 1 107.490 24.314 -3.526 1.00 3.80 S ATOM 8 CE MET A 1 106.042 23.366 -3.066 1.00 4.09 C ATOM 0 H1 MET A 1 111.642 22.626 -5.782 1.00 3.91 H new ATOM 0 H2 MET A 1 111.843 21.054 -5.171 1.00 3.91 H new ATOM 0 H3 MET A 1 110.283 21.657 -5.469 1.00 3.91 H new ATOM 0 HA MET A 1 112.165 22.814 -3.482 1.00 3.05 H new ATOM 0 HB2 MET A 1 110.539 24.377 -3.109 1.00 2.93 H new ATOM 0 HB3 MET A 1 110.009 23.955 -4.725 1.00 2.93 H new ATOM 0 HG2 MET A 1 108.536 22.160 -3.580 1.00 3.14 H new ATOM 0 HG3 MET A 1 108.882 23.003 -2.083 1.00 3.14 H new ATOM 0 HE1 MET A 1 105.147 23.965 -3.234 1.00 4.09 H new ATOM 0 HE2 MET A 1 105.992 22.461 -3.671 1.00 4.09 H new ATOM 0 HE3 MET A 1 106.104 23.095 -2.012 1.00 4.09 H new ATOM 20 N ALA A 2 109.879 20.479 -3.164 1.00 3.08 N ATOM 21 CA ALA A 2 109.435 19.387 -2.308 1.00 3.58 C ATOM 22 C ALA A 2 110.618 18.708 -1.626 1.00 3.25 C ATOM 23 O ALA A 2 111.715 18.646 -2.181 1.00 3.61 O ATOM 24 CB ALA A 2 108.636 18.374 -3.115 1.00 4.46 C ATOM 0 H ALA A 2 109.417 20.517 -4.073 1.00 3.08 H new ATOM 0 HA ALA A 2 108.793 19.805 -1.533 1.00 3.58 H new ATOM 0 HB1 ALA A 2 108.311 17.564 -2.462 1.00 4.46 H new ATOM 0 HB2 ALA A 2 107.764 18.862 -3.550 1.00 4.46 H new ATOM 0 HB3 ALA A 2 109.260 17.970 -3.912 1.00 4.46 H new ATOM 30 N CYS A 3 110.387 18.199 -0.420 1.00 3.12 N ATOM 31 CA CYS A 3 111.434 17.523 0.337 1.00 3.19 C ATOM 32 C CYS A 3 112.784 18.201 0.123 1.00 2.69 C ATOM 33 O CYS A 3 112.852 19.403 -0.133 1.00 2.84 O ATOM 34 CB CYS A 3 111.519 16.051 -0.071 1.00 4.00 C ATOM 35 SG CYS A 3 111.752 14.914 1.315 1.00 4.97 S ATOM 0 H CYS A 3 109.485 18.242 0.054 1.00 3.12 H new ATOM 0 HA CYS A 3 111.180 17.585 1.395 1.00 3.19 H new ATOM 0 HB2 CYS A 3 110.606 15.779 -0.601 1.00 4.00 H new ATOM 0 HB3 CYS A 3 112.344 15.926 -0.772 1.00 4.00 H new ATOM 0 HG CYS A 3 111.810 13.694 0.870 1.00 4.97 H new ATOM 41 N LYS A 4 113.855 17.422 0.229 1.00 2.76 N ATOM 42 CA LYS A 4 115.203 17.947 0.046 1.00 2.88 C ATOM 43 C LYS A 4 116.198 16.817 -0.201 1.00 2.49 C ATOM 44 O LYS A 4 115.836 15.760 -0.717 1.00 2.94 O ATOM 45 CB LYS A 4 115.628 18.757 1.272 1.00 3.70 C ATOM 46 CG LYS A 4 116.385 20.029 0.928 1.00 4.53 C ATOM 47 CD LYS A 4 117.113 19.902 -0.400 1.00 5.34 C ATOM 48 CE LYS A 4 116.559 20.869 -1.434 1.00 5.89 C ATOM 49 NZ LYS A 4 115.823 20.162 -2.518 1.00 6.65 N ATOM 0 H LYS A 4 113.816 16.425 0.441 1.00 2.76 H new ATOM 0 HA LYS A 4 115.197 18.599 -0.827 1.00 2.88 H new ATOM 0 HB2 LYS A 4 114.742 19.017 1.851 1.00 3.70 H new ATOM 0 HB3 LYS A 4 116.254 18.133 1.910 1.00 3.70 H new ATOM 0 HG2 LYS A 4 115.689 20.867 0.884 1.00 4.53 H new ATOM 0 HG3 LYS A 4 117.103 20.251 1.718 1.00 4.53 H new ATOM 0 HD2 LYS A 4 118.176 20.094 -0.253 1.00 5.34 H new ATOM 0 HD3 LYS A 4 117.022 18.881 -0.770 1.00 5.34 H new ATOM 0 HE2 LYS A 4 115.892 21.579 -0.946 1.00 5.89 H new ATOM 0 HE3 LYS A 4 117.377 21.445 -1.867 1.00 5.89 H new ATOM 0 HZ1 LYS A 4 115.930 20.686 -3.410 1.00 6.65 H new ATOM 0 HZ2 LYS A 4 116.209 19.203 -2.631 1.00 6.65 H new ATOM 0 HZ3 LYS A 4 114.815 20.102 -2.271 1.00 6.65 H new ATOM 63 N VAL A 5 117.453 17.049 0.170 1.00 2.34 N ATOM 64 CA VAL A 5 118.500 16.052 -0.011 1.00 2.51 C ATOM 65 C VAL A 5 118.857 15.384 1.312 1.00 2.00 C ATOM 66 O VAL A 5 119.035 16.054 2.329 1.00 2.76 O ATOM 67 CB VAL A 5 119.771 16.676 -0.617 1.00 3.50 C ATOM 68 CG1 VAL A 5 120.155 17.943 0.132 1.00 3.93 C ATOM 69 CG2 VAL A 5 120.915 15.673 -0.604 1.00 4.35 C ATOM 0 H VAL A 5 117.769 17.919 0.598 1.00 2.34 H new ATOM 0 HA VAL A 5 118.108 15.303 -0.699 1.00 2.51 H new ATOM 0 HB VAL A 5 119.564 16.944 -1.653 1.00 3.50 H new ATOM 0 HG11 VAL A 5 121.055 18.369 -0.311 1.00 3.93 H new ATOM 0 HG12 VAL A 5 119.341 18.665 0.066 1.00 3.93 H new ATOM 0 HG13 VAL A 5 120.344 17.704 1.179 1.00 3.93 H new ATOM 0 HG21 VAL A 5 121.805 16.131 -1.036 1.00 4.35 H new ATOM 0 HG22 VAL A 5 121.123 15.372 0.423 1.00 4.35 H new ATOM 0 HG23 VAL A 5 120.637 14.797 -1.190 1.00 4.35 H new ATOM 79 N LYS A 6 118.960 14.059 1.291 1.00 1.42 N ATOM 80 CA LYS A 6 119.295 13.299 2.489 1.00 1.64 C ATOM 81 C LYS A 6 118.846 11.848 2.356 1.00 1.42 C ATOM 82 O LYS A 6 119.501 10.936 2.861 1.00 1.34 O ATOM 83 CB LYS A 6 118.647 13.935 3.720 1.00 2.21 C ATOM 84 CG LYS A 6 117.154 14.174 3.566 1.00 2.97 C ATOM 85 CD LYS A 6 116.676 15.306 4.460 1.00 3.95 C ATOM 86 CE LYS A 6 115.418 14.922 5.222 1.00 4.78 C ATOM 87 NZ LYS A 6 115.301 13.448 5.394 1.00 5.42 N ATOM 0 H LYS A 6 118.816 13.490 0.457 1.00 1.42 H new ATOM 0 HA LYS A 6 120.378 13.316 2.608 1.00 1.64 H new ATOM 0 HB2 LYS A 6 118.816 13.291 4.583 1.00 2.21 H new ATOM 0 HB3 LYS A 6 119.139 14.885 3.929 1.00 2.21 H new ATOM 0 HG2 LYS A 6 116.928 14.410 2.526 1.00 2.97 H new ATOM 0 HG3 LYS A 6 116.611 13.261 3.811 1.00 2.97 H new ATOM 0 HD2 LYS A 6 117.463 15.571 5.166 1.00 3.95 H new ATOM 0 HD3 LYS A 6 116.480 16.191 3.855 1.00 3.95 H new ATOM 0 HE2 LYS A 6 115.426 15.402 6.201 1.00 4.78 H new ATOM 0 HE3 LYS A 6 114.543 15.296 4.690 1.00 4.78 H new ATOM 0 HZ1 LYS A 6 114.624 13.240 6.156 1.00 5.42 H new ATOM 0 HZ2 LYS A 6 114.966 13.020 4.507 1.00 5.42 H new ATOM 0 HZ3 LYS A 6 116.231 13.052 5.640 1.00 5.42 H new ATOM 101 N ALA A 7 117.724 11.641 1.673 1.00 1.47 N ATOM 102 CA ALA A 7 117.186 10.303 1.472 1.00 1.45 C ATOM 103 C ALA A 7 118.102 9.468 0.584 1.00 1.31 C ATOM 104 O ALA A 7 117.799 8.317 0.272 1.00 1.42 O ATOM 105 CB ALA A 7 115.791 10.380 0.870 1.00 1.75 C ATOM 0 H ALA A 7 117.170 12.385 1.249 1.00 1.47 H new ATOM 0 HA ALA A 7 117.124 9.815 2.444 1.00 1.45 H new ATOM 0 HB1 ALA A 7 115.401 9.372 0.725 1.00 1.75 H new ATOM 0 HB2 ALA A 7 115.134 10.930 1.544 1.00 1.75 H new ATOM 0 HB3 ALA A 7 115.837 10.893 -0.091 1.00 1.75 H new ATOM 111 N GLU A 8 119.223 10.056 0.179 1.00 1.15 N ATOM 112 CA GLU A 8 120.182 9.364 -0.673 1.00 1.08 C ATOM 113 C GLU A 8 120.465 7.963 -0.145 1.00 0.95 C ATOM 114 O GLU A 8 120.916 7.089 -0.884 1.00 0.93 O ATOM 115 CB GLU A 8 121.485 10.161 -0.765 1.00 1.12 C ATOM 116 CG GLU A 8 121.958 10.709 0.572 1.00 1.58 C ATOM 117 CD GLU A 8 123.138 11.650 0.431 1.00 1.70 C ATOM 118 OE1 GLU A 8 124.069 11.324 -0.335 1.00 1.94 O ATOM 119 OE2 GLU A 8 123.131 12.713 1.087 1.00 2.18 O ATOM 0 H GLU A 8 119.489 11.009 0.427 1.00 1.15 H new ATOM 0 HA GLU A 8 119.748 9.277 -1.669 1.00 1.08 H new ATOM 0 HB2 GLU A 8 122.263 9.522 -1.182 1.00 1.12 H new ATOM 0 HB3 GLU A 8 121.346 10.990 -1.459 1.00 1.12 H new ATOM 0 HG2 GLU A 8 121.135 11.234 1.057 1.00 1.58 H new ATOM 0 HG3 GLU A 8 122.235 9.880 1.223 1.00 1.58 H new ATOM 126 N LEU A 9 120.190 7.758 1.138 1.00 0.92 N ATOM 127 CA LEU A 9 120.406 6.467 1.771 1.00 0.82 C ATOM 128 C LEU A 9 119.374 5.461 1.287 1.00 0.80 C ATOM 129 O LEU A 9 119.616 4.254 1.280 1.00 0.75 O ATOM 130 CB LEU A 9 120.344 6.597 3.297 1.00 0.85 C ATOM 131 CG LEU A 9 118.991 7.028 3.868 1.00 0.94 C ATOM 132 CD1 LEU A 9 118.647 8.443 3.428 1.00 1.06 C ATOM 133 CD2 LEU A 9 117.897 6.057 3.449 1.00 0.90 C ATOM 0 H LEU A 9 119.816 8.474 1.761 1.00 0.92 H new ATOM 0 HA LEU A 9 121.399 6.111 1.494 1.00 0.82 H new ATOM 0 HB2 LEU A 9 120.615 5.637 3.737 1.00 0.85 H new ATOM 0 HB3 LEU A 9 121.098 7.317 3.614 1.00 0.85 H new ATOM 0 HG LEU A 9 119.062 7.016 4.956 1.00 0.94 H new ATOM 0 HD11 LEU A 9 117.681 8.729 3.845 1.00 1.06 H new ATOM 0 HD12 LEU A 9 119.414 9.131 3.783 1.00 1.06 H new ATOM 0 HD13 LEU A 9 118.599 8.484 2.340 1.00 1.06 H new ATOM 0 HD21 LEU A 9 116.943 6.382 3.865 1.00 0.90 H new ATOM 0 HD22 LEU A 9 117.829 6.033 2.361 1.00 0.90 H new ATOM 0 HD23 LEU A 9 118.134 5.060 3.820 1.00 0.90 H new ATOM 145 N GLU A 10 118.220 5.975 0.892 1.00 0.87 N ATOM 146 CA GLU A 10 117.130 5.142 0.410 1.00 0.89 C ATOM 147 C GLU A 10 117.458 4.522 -0.946 1.00 0.84 C ATOM 148 O GLU A 10 116.876 3.508 -1.333 1.00 0.90 O ATOM 149 CB GLU A 10 115.841 5.960 0.313 1.00 1.02 C ATOM 150 CG GLU A 10 115.252 6.003 -1.087 1.00 1.02 C ATOM 151 CD GLU A 10 114.090 6.971 -1.200 1.00 1.25 C ATOM 152 OE1 GLU A 10 113.854 7.730 -0.236 1.00 1.88 O ATOM 153 OE2 GLU A 10 113.417 6.970 -2.251 1.00 1.70 O ATOM 0 H GLU A 10 118.013 6.974 0.896 1.00 0.87 H new ATOM 0 HA GLU A 10 116.989 4.332 1.126 1.00 0.89 H new ATOM 0 HB2 GLU A 10 115.102 5.541 0.996 1.00 1.02 H new ATOM 0 HB3 GLU A 10 116.041 6.979 0.645 1.00 1.02 H new ATOM 0 HG2 GLU A 10 116.029 6.289 -1.796 1.00 1.02 H new ATOM 0 HG3 GLU A 10 114.917 5.004 -1.367 1.00 1.02 H new ATOM 160 N ALA A 11 118.385 5.140 -1.665 1.00 0.82 N ATOM 161 CA ALA A 11 118.781 4.654 -2.980 1.00 0.82 C ATOM 162 C ALA A 11 119.564 3.358 -2.875 1.00 0.73 C ATOM 163 O ALA A 11 119.211 2.348 -3.486 1.00 0.72 O ATOM 164 CB ALA A 11 119.599 5.710 -3.708 1.00 0.90 C ATOM 0 H ALA A 11 118.877 5.980 -1.360 1.00 0.82 H new ATOM 0 HA ALA A 11 117.875 4.452 -3.552 1.00 0.82 H new ATOM 0 HB1 ALA A 11 119.888 5.334 -4.689 1.00 0.90 H new ATOM 0 HB2 ALA A 11 119.002 6.614 -3.828 1.00 0.90 H new ATOM 0 HB3 ALA A 11 120.494 5.940 -3.129 1.00 0.90 H new ATOM 170 N ALA A 12 120.625 3.399 -2.094 1.00 0.70 N ATOM 171 CA ALA A 12 121.474 2.237 -1.893 1.00 0.66 C ATOM 172 C ALA A 12 120.722 1.136 -1.172 1.00 0.62 C ATOM 173 O ALA A 12 120.828 -0.037 -1.520 1.00 0.65 O ATOM 174 CB ALA A 12 122.728 2.620 -1.124 1.00 0.68 C ATOM 0 H ALA A 12 120.923 4.230 -1.584 1.00 0.70 H new ATOM 0 HA ALA A 12 121.770 1.859 -2.872 1.00 0.66 H new ATOM 0 HB1 ALA A 12 123.352 1.737 -0.983 1.00 0.68 H new ATOM 0 HB2 ALA A 12 123.284 3.371 -1.685 1.00 0.68 H new ATOM 0 HB3 ALA A 12 122.449 3.026 -0.152 1.00 0.68 H new ATOM 180 N PHE A 13 119.951 1.527 -0.176 1.00 0.62 N ATOM 181 CA PHE A 13 119.165 0.578 0.593 1.00 0.65 C ATOM 182 C PHE A 13 118.143 -0.103 -0.306 1.00 0.71 C ATOM 183 O PHE A 13 118.091 -1.335 -0.401 1.00 0.74 O ATOM 184 CB PHE A 13 118.454 1.287 1.743 1.00 0.70 C ATOM 185 CG PHE A 13 119.150 1.138 3.063 1.00 0.71 C ATOM 186 CD1 PHE A 13 120.347 1.791 3.308 1.00 1.41 C ATOM 187 CD2 PHE A 13 118.607 0.345 4.060 1.00 1.13 C ATOM 188 CE1 PHE A 13 120.990 1.656 4.523 1.00 1.49 C ATOM 189 CE2 PHE A 13 119.245 0.206 5.278 1.00 1.11 C ATOM 190 CZ PHE A 13 120.438 0.863 5.510 1.00 0.82 C ATOM 0 H PHE A 13 119.851 2.498 0.121 1.00 0.62 H new ATOM 0 HA PHE A 13 119.835 -0.176 1.006 1.00 0.65 H new ATOM 0 HB2 PHE A 13 118.366 2.347 1.506 1.00 0.70 H new ATOM 0 HB3 PHE A 13 117.441 0.894 1.830 1.00 0.70 H new ATOM 0 HD1 PHE A 13 120.783 2.413 2.540 1.00 1.41 H new ATOM 0 HD2 PHE A 13 117.675 -0.171 3.884 1.00 1.13 H new ATOM 0 HE1 PHE A 13 121.923 2.170 4.701 1.00 1.49 H new ATOM 0 HE2 PHE A 13 118.812 -0.415 6.048 1.00 1.11 H new ATOM 0 HZ PHE A 13 120.938 0.757 6.461 1.00 0.82 H new ATOM 200 N LYS A 14 117.337 0.719 -0.969 1.00 0.76 N ATOM 201 CA LYS A 14 116.309 0.225 -1.871 1.00 0.84 C ATOM 202 C LYS A 14 116.939 -0.540 -3.026 1.00 0.84 C ATOM 203 O LYS A 14 116.286 -1.355 -3.673 1.00 0.92 O ATOM 204 CB LYS A 14 115.468 1.386 -2.405 1.00 0.96 C ATOM 205 CG LYS A 14 114.452 1.918 -1.406 1.00 1.17 C ATOM 206 CD LYS A 14 114.962 1.816 0.023 1.00 1.11 C ATOM 207 CE LYS A 14 115.148 3.187 0.650 1.00 1.31 C ATOM 208 NZ LYS A 14 113.907 3.668 1.316 1.00 1.64 N ATOM 0 H LYS A 14 117.378 1.736 -0.896 1.00 0.76 H new ATOM 0 HA LYS A 14 115.660 -0.453 -1.317 1.00 0.84 H new ATOM 0 HB2 LYS A 14 116.132 2.198 -2.701 1.00 0.96 H new ATOM 0 HB3 LYS A 14 114.944 1.060 -3.303 1.00 0.96 H new ATOM 0 HG2 LYS A 14 114.224 2.958 -1.638 1.00 1.17 H new ATOM 0 HG3 LYS A 14 113.521 1.359 -1.501 1.00 1.17 H new ATOM 0 HD2 LYS A 14 114.259 1.235 0.620 1.00 1.11 H new ATOM 0 HD3 LYS A 14 115.910 1.279 0.034 1.00 1.11 H new ATOM 0 HE2 LYS A 14 115.958 3.146 1.378 1.00 1.31 H new ATOM 0 HE3 LYS A 14 115.447 3.900 -0.119 1.00 1.31 H new ATOM 0 HZ1 LYS A 14 114.157 4.201 2.173 1.00 1.64 H new ATOM 0 HZ2 LYS A 14 113.381 4.286 0.666 1.00 1.64 H new ATOM 0 HZ3 LYS A 14 113.314 2.854 1.575 1.00 1.64 H new ATOM 222 N LYS A 15 118.218 -0.277 -3.273 1.00 0.79 N ATOM 223 CA LYS A 15 118.938 -0.951 -4.343 1.00 0.83 C ATOM 224 C LYS A 15 119.841 -2.033 -3.770 1.00 0.78 C ATOM 225 O LYS A 15 120.205 -2.985 -4.459 1.00 0.86 O ATOM 226 CB LYS A 15 119.762 0.052 -5.150 1.00 0.89 C ATOM 227 CG LYS A 15 120.027 -0.390 -6.580 1.00 1.31 C ATOM 228 CD LYS A 15 121.516 -0.427 -6.885 1.00 1.49 C ATOM 229 CE LYS A 15 122.262 0.675 -6.151 1.00 1.12 C ATOM 230 NZ LYS A 15 121.379 1.834 -5.843 1.00 1.77 N ATOM 0 H LYS A 15 118.775 0.397 -2.747 1.00 0.79 H new ATOM 0 HA LYS A 15 118.211 -1.416 -5.009 1.00 0.83 H new ATOM 0 HB2 LYS A 15 119.241 1.009 -5.165 1.00 0.89 H new ATOM 0 HB3 LYS A 15 120.715 0.216 -4.646 1.00 0.89 H new ATOM 0 HG2 LYS A 15 119.597 -1.378 -6.742 1.00 1.31 H new ATOM 0 HG3 LYS A 15 119.530 0.291 -7.271 1.00 1.31 H new ATOM 0 HD2 LYS A 15 121.923 -1.397 -6.599 1.00 1.49 H new ATOM 0 HD3 LYS A 15 121.671 -0.320 -7.959 1.00 1.49 H new ATOM 0 HE2 LYS A 15 122.676 0.278 -5.224 1.00 1.12 H new ATOM 0 HE3 LYS A 15 123.103 1.011 -6.758 1.00 1.12 H new ATOM 0 HZ1 LYS A 15 121.930 2.714 -5.896 1.00 1.77 H new ATOM 0 HZ2 LYS A 15 120.601 1.871 -6.533 1.00 1.77 H new ATOM 0 HZ3 LYS A 15 120.988 1.727 -4.885 1.00 1.77 H new ATOM 244 N LEU A 16 120.191 -1.880 -2.498 1.00 0.70 N ATOM 245 CA LEU A 16 121.042 -2.845 -1.823 1.00 0.73 C ATOM 246 C LEU A 16 120.256 -4.109 -1.503 1.00 0.79 C ATOM 247 O LEU A 16 120.714 -5.216 -1.771 1.00 0.95 O ATOM 248 CB LEU A 16 121.649 -2.242 -0.551 1.00 0.71 C ATOM 249 CG LEU A 16 120.699 -2.103 0.639 1.00 0.64 C ATOM 250 CD1 LEU A 16 120.258 -3.466 1.136 1.00 0.75 C ATOM 251 CD2 LEU A 16 121.367 -1.320 1.759 1.00 0.76 C ATOM 0 H LEU A 16 119.897 -1.096 -1.916 1.00 0.70 H new ATOM 0 HA LEU A 16 121.862 -3.109 -2.491 1.00 0.73 H new ATOM 0 HB2 LEU A 16 122.494 -2.859 -0.247 1.00 0.71 H new ATOM 0 HB3 LEU A 16 122.045 -1.256 -0.793 1.00 0.71 H new ATOM 0 HG LEU A 16 119.815 -1.557 0.311 1.00 0.64 H new ATOM 0 HD11 LEU A 16 119.583 -3.344 1.983 1.00 0.75 H new ATOM 0 HD12 LEU A 16 119.743 -3.996 0.335 1.00 0.75 H new ATOM 0 HD13 LEU A 16 121.131 -4.039 1.448 1.00 0.75 H new ATOM 0 HD21 LEU A 16 120.679 -1.229 2.600 1.00 0.76 H new ATOM 0 HD22 LEU A 16 122.267 -1.843 2.082 1.00 0.76 H new ATOM 0 HD23 LEU A 16 121.634 -0.326 1.399 1.00 0.76 H new ATOM 263 N ASP A 17 119.061 -3.945 -0.947 1.00 0.79 N ATOM 264 CA ASP A 17 118.230 -5.099 -0.626 1.00 0.90 C ATOM 265 C ASP A 17 116.766 -4.823 -0.932 1.00 0.98 C ATOM 266 O ASP A 17 115.896 -5.006 -0.080 1.00 1.67 O ATOM 267 CB ASP A 17 118.390 -5.515 0.838 1.00 0.95 C ATOM 268 CG ASP A 17 119.786 -6.016 1.151 1.00 1.78 C ATOM 269 OD1 ASP A 17 120.360 -6.739 0.309 1.00 2.44 O ATOM 270 OD2 ASP A 17 120.306 -5.687 2.238 1.00 2.46 O ATOM 0 H ASP A 17 118.651 -3.041 -0.712 1.00 0.79 H new ATOM 0 HA ASP A 17 118.568 -5.923 -1.255 1.00 0.90 H new ATOM 0 HB2 ASP A 17 118.160 -4.665 1.481 1.00 0.95 H new ATOM 0 HB3 ASP A 17 117.667 -6.296 1.071 1.00 0.95 H new ATOM 275 N ALA A 18 116.498 -4.397 -2.160 1.00 1.10 N ATOM 276 CA ALA A 18 115.139 -4.118 -2.582 1.00 1.25 C ATOM 277 C ALA A 18 114.361 -5.416 -2.699 1.00 1.27 C ATOM 278 O ALA A 18 113.150 -5.457 -2.483 1.00 1.48 O ATOM 279 CB ALA A 18 115.131 -3.373 -3.908 1.00 1.39 C ATOM 0 H ALA A 18 117.206 -4.239 -2.877 1.00 1.10 H new ATOM 0 HA ALA A 18 114.662 -3.484 -1.834 1.00 1.25 H new ATOM 0 HB1 ALA A 18 114.102 -3.173 -4.207 1.00 1.39 H new ATOM 0 HB2 ALA A 18 115.667 -2.430 -3.799 1.00 1.39 H new ATOM 0 HB3 ALA A 18 115.619 -3.981 -4.670 1.00 1.39 H new ATOM 285 N ASN A 19 115.080 -6.482 -3.033 1.00 1.08 N ATOM 286 CA ASN A 19 114.480 -7.795 -3.171 1.00 1.10 C ATOM 287 C ASN A 19 115.457 -8.893 -2.763 1.00 1.02 C ATOM 288 O ASN A 19 115.049 -9.993 -2.393 1.00 1.07 O ATOM 289 CB ASN A 19 114.001 -8.020 -4.607 1.00 1.19 C ATOM 290 CG ASN A 19 114.945 -7.420 -5.631 1.00 1.34 C ATOM 291 OD1 ASN A 19 114.587 -6.487 -6.350 1.00 2.10 O ATOM 292 ND2 ASN A 19 116.158 -7.954 -5.701 1.00 1.24 N ATOM 0 H ASN A 19 116.084 -6.457 -3.213 1.00 1.08 H new ATOM 0 HA ASN A 19 113.620 -7.840 -2.503 1.00 1.10 H new ATOM 0 HB2 ASN A 19 113.902 -9.090 -4.791 1.00 1.19 H new ATOM 0 HB3 ASN A 19 113.010 -7.582 -4.730 1.00 1.19 H new ATOM 0 HD21 ASN A 19 116.837 -7.592 -6.371 1.00 1.24 H new ATOM 0 HD22 ASN A 19 116.411 -8.727 -5.085 1.00 1.24 H new ATOM 299 N GLY A 20 116.748 -8.586 -2.831 1.00 0.95 N ATOM 300 CA GLY A 20 117.763 -9.556 -2.462 1.00 0.98 C ATOM 301 C GLY A 20 117.401 -10.968 -2.880 1.00 1.07 C ATOM 302 O GLY A 20 116.500 -11.580 -2.308 1.00 1.16 O ATOM 0 H GLY A 20 117.110 -7.682 -3.135 1.00 0.95 H new ATOM 0 HA2 GLY A 20 118.711 -9.277 -2.922 1.00 0.98 H new ATOM 0 HA3 GLY A 20 117.912 -9.528 -1.383 1.00 0.98 H new ATOM 306 N ASP A 21 118.108 -11.487 -3.878 1.00 1.14 N ATOM 307 CA ASP A 21 117.861 -12.832 -4.368 1.00 1.26 C ATOM 308 C ASP A 21 119.147 -13.471 -4.877 1.00 1.35 C ATOM 309 O ASP A 21 119.440 -14.629 -4.577 1.00 1.44 O ATOM 310 CB ASP A 21 116.813 -12.808 -5.481 1.00 1.33 C ATOM 311 CG ASP A 21 115.529 -13.508 -5.082 1.00 1.39 C ATOM 312 OD1 ASP A 21 115.575 -14.353 -4.163 1.00 1.60 O ATOM 313 OD2 ASP A 21 114.478 -13.212 -5.687 1.00 1.96 O ATOM 0 H ASP A 21 118.858 -10.993 -4.362 1.00 1.14 H new ATOM 0 HA ASP A 21 117.485 -13.430 -3.538 1.00 1.26 H new ATOM 0 HB2 ASP A 21 116.592 -11.774 -5.746 1.00 1.33 H new ATOM 0 HB3 ASP A 21 117.222 -13.285 -6.372 1.00 1.33 H new ATOM 318 N GLY A 22 119.909 -12.706 -5.646 1.00 1.35 N ATOM 319 CA GLY A 22 121.157 -13.202 -6.190 1.00 1.45 C ATOM 320 C GLY A 22 121.953 -12.103 -6.856 1.00 1.43 C ATOM 321 O GLY A 22 122.615 -12.329 -7.869 1.00 1.56 O ATOM 0 H GLY A 22 119.683 -11.745 -5.904 1.00 1.35 H new ATOM 0 HA2 GLY A 22 121.750 -13.648 -5.392 1.00 1.45 H new ATOM 0 HA3 GLY A 22 120.951 -13.991 -6.913 1.00 1.45 H new ATOM 325 N TYR A 23 121.881 -10.905 -6.286 1.00 1.29 N ATOM 326 CA TYR A 23 122.594 -9.757 -6.830 1.00 1.28 C ATOM 327 C TYR A 23 123.387 -9.036 -5.745 1.00 1.17 C ATOM 328 O TYR A 23 122.820 -8.478 -4.807 1.00 1.23 O ATOM 329 CB TYR A 23 121.616 -8.792 -7.502 1.00 1.28 C ATOM 330 CG TYR A 23 120.897 -7.871 -6.541 1.00 1.18 C ATOM 331 CD1 TYR A 23 120.443 -8.331 -5.311 1.00 1.64 C ATOM 332 CD2 TYR A 23 120.667 -6.541 -6.868 1.00 1.65 C ATOM 333 CE1 TYR A 23 119.780 -7.491 -4.435 1.00 1.61 C ATOM 334 CE2 TYR A 23 120.005 -5.695 -5.998 1.00 1.61 C ATOM 335 CZ TYR A 23 119.564 -6.175 -4.784 1.00 1.06 C ATOM 336 OH TYR A 23 118.904 -5.337 -3.915 1.00 1.04 O ATOM 0 H TYR A 23 121.336 -10.705 -5.447 1.00 1.29 H new ATOM 0 HA TYR A 23 123.299 -10.122 -7.577 1.00 1.28 H new ATOM 0 HB2 TYR A 23 122.160 -8.188 -8.229 1.00 1.28 H new ATOM 0 HB3 TYR A 23 120.876 -9.369 -8.057 1.00 1.28 H new ATOM 0 HD1 TYR A 23 120.611 -9.361 -5.035 1.00 1.64 H new ATOM 0 HD2 TYR A 23 121.011 -6.161 -7.819 1.00 1.65 H new ATOM 0 HE1 TYR A 23 119.433 -7.864 -3.483 1.00 1.61 H new ATOM 0 HE2 TYR A 23 119.834 -4.663 -6.268 1.00 1.61 H new ATOM 0 HH TYR A 23 119.203 -4.415 -4.060 1.00 1.04 H new ATOM 346 N VAL A 24 124.705 -9.062 -5.889 1.00 1.10 N ATOM 347 CA VAL A 24 125.604 -8.425 -4.944 1.00 1.00 C ATOM 348 C VAL A 24 125.079 -7.069 -4.505 1.00 0.88 C ATOM 349 O VAL A 24 124.907 -6.158 -5.315 1.00 0.90 O ATOM 350 CB VAL A 24 127.005 -8.255 -5.547 1.00 1.06 C ATOM 351 CG1 VAL A 24 128.020 -7.942 -4.460 1.00 0.97 C ATOM 352 CG2 VAL A 24 127.396 -9.506 -6.318 1.00 1.26 C ATOM 0 H VAL A 24 125.178 -9.526 -6.665 1.00 1.10 H new ATOM 0 HA VAL A 24 125.664 -9.077 -4.072 1.00 1.00 H new ATOM 0 HB VAL A 24 126.991 -7.415 -6.241 1.00 1.06 H new ATOM 0 HG11 VAL A 24 129.007 -7.825 -4.907 1.00 0.97 H new ATOM 0 HG12 VAL A 24 127.739 -7.018 -3.955 1.00 0.97 H new ATOM 0 HG13 VAL A 24 128.043 -8.758 -3.738 1.00 0.97 H new ATOM 0 HG21 VAL A 24 128.392 -9.376 -6.742 1.00 1.26 H new ATOM 0 HG22 VAL A 24 127.398 -10.363 -5.644 1.00 1.26 H new ATOM 0 HG23 VAL A 24 126.679 -9.677 -7.121 1.00 1.26 H new ATOM 362 N THR A 25 124.825 -6.951 -3.213 1.00 0.79 N ATOM 363 CA THR A 25 124.314 -5.715 -2.637 1.00 0.69 C ATOM 364 C THR A 25 124.765 -5.553 -1.190 1.00 0.63 C ATOM 365 O THR A 25 125.633 -6.283 -0.712 1.00 0.66 O ATOM 366 CB THR A 25 122.790 -5.701 -2.705 1.00 0.71 C ATOM 367 OG1 THR A 25 122.244 -6.635 -1.791 1.00 0.82 O ATOM 368 CG2 THR A 25 122.247 -6.032 -4.077 1.00 0.82 C ATOM 0 H THR A 25 124.965 -7.702 -2.537 1.00 0.79 H new ATOM 0 HA THR A 25 124.714 -4.882 -3.215 1.00 0.69 H new ATOM 0 HB THR A 25 122.498 -4.681 -2.455 1.00 0.71 H new ATOM 0 HG1 THR A 25 121.488 -6.227 -1.319 1.00 0.82 H new ATOM 0 HG21 THR A 25 121.158 -6.004 -4.054 1.00 0.82 H new ATOM 0 HG22 THR A 25 122.613 -5.302 -4.799 1.00 0.82 H new ATOM 0 HG23 THR A 25 122.578 -7.029 -4.369 1.00 0.82 H new ATOM 376 N ALA A 26 124.164 -4.590 -0.496 1.00 0.58 N ATOM 377 CA ALA A 26 124.498 -4.333 0.900 1.00 0.56 C ATOM 378 C ALA A 26 124.498 -5.630 1.696 1.00 0.60 C ATOM 379 O ALA A 26 125.075 -5.708 2.785 1.00 0.61 O ATOM 380 CB ALA A 26 123.524 -3.337 1.509 1.00 0.62 C ATOM 0 H ALA A 26 123.444 -3.976 -0.878 1.00 0.58 H new ATOM 0 HA ALA A 26 125.499 -3.903 0.939 1.00 0.56 H new ATOM 0 HB1 ALA A 26 123.790 -3.158 2.551 1.00 0.62 H new ATOM 0 HB2 ALA A 26 123.570 -2.398 0.957 1.00 0.62 H new ATOM 0 HB3 ALA A 26 122.512 -3.739 1.457 1.00 0.62 H new ATOM 386 N LEU A 27 123.855 -6.653 1.137 1.00 0.65 N ATOM 387 CA LEU A 27 123.791 -7.952 1.786 1.00 0.73 C ATOM 388 C LEU A 27 125.150 -8.291 2.376 1.00 0.72 C ATOM 389 O LEU A 27 125.260 -9.088 3.306 1.00 0.79 O ATOM 390 CB LEU A 27 123.352 -9.022 0.789 1.00 0.80 C ATOM 391 CG LEU A 27 124.409 -9.416 -0.242 1.00 0.82 C ATOM 392 CD1 LEU A 27 124.836 -10.862 -0.046 1.00 0.92 C ATOM 393 CD2 LEU A 27 123.878 -9.199 -1.649 1.00 0.87 C ATOM 0 H LEU A 27 123.374 -6.604 0.239 1.00 0.65 H new ATOM 0 HA LEU A 27 123.056 -7.918 2.590 1.00 0.73 H new ATOM 0 HB2 LEU A 27 123.056 -9.913 1.342 1.00 0.80 H new ATOM 0 HB3 LEU A 27 122.467 -8.665 0.262 1.00 0.80 H new ATOM 0 HG LEU A 27 125.284 -8.782 -0.101 1.00 0.82 H new ATOM 0 HD11 LEU A 27 125.589 -11.123 -0.790 1.00 0.92 H new ATOM 0 HD12 LEU A 27 125.254 -10.986 0.953 1.00 0.92 H new ATOM 0 HD13 LEU A 27 123.971 -11.515 -0.160 1.00 0.92 H new ATOM 0 HD21 LEU A 27 124.641 -9.484 -2.374 1.00 0.87 H new ATOM 0 HD22 LEU A 27 122.988 -9.810 -1.800 1.00 0.87 H new ATOM 0 HD23 LEU A 27 123.624 -8.148 -1.784 1.00 0.87 H new ATOM 405 N GLU A 28 126.177 -7.646 1.835 1.00 0.66 N ATOM 406 CA GLU A 28 127.536 -7.818 2.301 1.00 0.66 C ATOM 407 C GLU A 28 127.936 -6.578 3.083 1.00 0.60 C ATOM 408 O GLU A 28 128.763 -6.627 4.004 1.00 0.62 O ATOM 409 CB GLU A 28 128.487 -8.043 1.126 1.00 0.69 C ATOM 410 CG GLU A 28 128.014 -7.401 -0.168 1.00 0.74 C ATOM 411 CD GLU A 28 129.093 -7.372 -1.232 1.00 1.81 C ATOM 412 OE1 GLU A 28 130.196 -7.898 -0.974 1.00 2.61 O ATOM 413 OE2 GLU A 28 128.834 -6.824 -2.324 1.00 2.52 O ATOM 0 H GLU A 28 126.084 -6.989 1.060 1.00 0.66 H new ATOM 0 HA GLU A 28 127.596 -8.696 2.944 1.00 0.66 H new ATOM 0 HB2 GLU A 28 129.469 -7.645 1.382 1.00 0.69 H new ATOM 0 HB3 GLU A 28 128.609 -9.114 0.967 1.00 0.69 H new ATOM 0 HG2 GLU A 28 127.150 -7.948 -0.546 1.00 0.74 H new ATOM 0 HG3 GLU A 28 127.682 -6.383 0.036 1.00 0.74 H new ATOM 420 N LEU A 29 127.306 -5.464 2.719 1.00 0.54 N ATOM 421 CA LEU A 29 127.550 -4.201 3.392 1.00 0.50 C ATOM 422 C LEU A 29 127.328 -4.397 4.876 1.00 0.55 C ATOM 423 O LEU A 29 128.018 -3.812 5.712 1.00 0.56 O ATOM 424 CB LEU A 29 126.623 -3.110 2.851 1.00 0.49 C ATOM 425 CG LEU A 29 126.572 -1.830 3.688 1.00 0.57 C ATOM 426 CD1 LEU A 29 127.765 -0.940 3.376 1.00 0.82 C ATOM 427 CD2 LEU A 29 125.269 -1.084 3.440 1.00 0.60 C ATOM 0 H LEU A 29 126.624 -5.415 1.962 1.00 0.54 H new ATOM 0 HA LEU A 29 128.576 -3.881 3.210 1.00 0.50 H new ATOM 0 HB2 LEU A 29 126.941 -2.853 1.841 1.00 0.49 H new ATOM 0 HB3 LEU A 29 125.614 -3.516 2.774 1.00 0.49 H new ATOM 0 HG LEU A 29 126.616 -2.105 4.742 1.00 0.57 H new ATOM 0 HD11 LEU A 29 127.712 -0.035 3.981 1.00 0.82 H new ATOM 0 HD12 LEU A 29 128.687 -1.475 3.604 1.00 0.82 H new ATOM 0 HD13 LEU A 29 127.753 -0.672 2.320 1.00 0.82 H new ATOM 0 HD21 LEU A 29 125.249 -0.176 4.043 1.00 0.60 H new ATOM 0 HD22 LEU A 29 125.196 -0.820 2.385 1.00 0.60 H new ATOM 0 HD23 LEU A 29 124.428 -1.720 3.714 1.00 0.60 H new ATOM 439 N GLN A 30 126.372 -5.261 5.188 1.00 0.63 N ATOM 440 CA GLN A 30 126.063 -5.587 6.570 1.00 0.72 C ATOM 441 C GLN A 30 127.282 -6.228 7.208 1.00 0.74 C ATOM 442 O GLN A 30 127.652 -5.920 8.343 1.00 0.78 O ATOM 443 CB GLN A 30 124.863 -6.533 6.648 1.00 0.82 C ATOM 444 CG GLN A 30 125.196 -7.891 7.246 1.00 1.05 C ATOM 445 CD GLN A 30 125.934 -8.795 6.277 1.00 0.90 C ATOM 446 OE1 GLN A 30 126.299 -9.921 6.617 1.00 1.09 O ATOM 447 NE2 GLN A 30 126.158 -8.305 5.064 1.00 0.78 N ATOM 0 H GLN A 30 125.797 -5.748 4.501 1.00 0.63 H new ATOM 0 HA GLN A 30 125.804 -4.674 7.106 1.00 0.72 H new ATOM 0 HB2 GLN A 30 124.080 -6.065 7.245 1.00 0.82 H new ATOM 0 HB3 GLN A 30 124.458 -6.676 5.646 1.00 0.82 H new ATOM 0 HG2 GLN A 30 125.804 -7.750 8.139 1.00 1.05 H new ATOM 0 HG3 GLN A 30 124.274 -8.380 7.562 1.00 1.05 H new ATOM 0 HE21 GLN A 30 125.837 -7.366 4.826 1.00 0.78 H new ATOM 0 HE22 GLN A 30 126.651 -8.867 4.370 1.00 0.78 H new ATOM 456 N THR A 31 127.926 -7.092 6.437 1.00 0.73 N ATOM 457 CA THR A 31 129.132 -7.758 6.880 1.00 0.78 C ATOM 458 C THR A 31 130.231 -6.726 6.975 1.00 0.74 C ATOM 459 O THR A 31 131.038 -6.721 7.907 1.00 0.80 O ATOM 460 CB THR A 31 129.526 -8.874 5.910 1.00 0.82 C ATOM 461 OG1 THR A 31 130.059 -9.983 6.611 1.00 1.47 O ATOM 462 CG2 THR A 31 130.553 -8.441 4.886 1.00 1.29 C ATOM 0 H THR A 31 127.627 -7.346 5.496 1.00 0.73 H new ATOM 0 HA THR A 31 128.964 -8.218 7.854 1.00 0.78 H new ATOM 0 HB THR A 31 128.607 -9.142 5.389 1.00 0.82 H new ATOM 0 HG1 THR A 31 130.303 -10.686 5.974 1.00 1.47 H new ATOM 0 HG21 THR A 31 130.788 -9.279 4.230 1.00 1.29 H new ATOM 0 HG22 THR A 31 130.152 -7.618 4.294 1.00 1.29 H new ATOM 0 HG23 THR A 31 131.459 -8.114 5.396 1.00 1.29 H new ATOM 470 N PHE A 32 130.221 -5.820 6.011 1.00 0.66 N ATOM 471 CA PHE A 32 131.186 -4.738 5.985 1.00 0.64 C ATOM 472 C PHE A 32 130.971 -3.855 7.201 1.00 0.68 C ATOM 473 O PHE A 32 131.914 -3.494 7.911 1.00 0.74 O ATOM 474 CB PHE A 32 131.038 -3.918 4.705 1.00 0.58 C ATOM 475 CG PHE A 32 132.046 -2.812 4.578 1.00 0.56 C ATOM 476 CD1 PHE A 32 133.393 -3.098 4.420 1.00 1.19 C ATOM 477 CD2 PHE A 32 131.647 -1.486 4.617 1.00 1.31 C ATOM 478 CE1 PHE A 32 134.322 -2.082 4.302 1.00 1.20 C ATOM 479 CE2 PHE A 32 132.571 -0.465 4.500 1.00 1.42 C ATOM 480 CZ PHE A 32 133.911 -0.764 4.342 1.00 0.79 C ATOM 0 H PHE A 32 129.556 -5.814 5.238 1.00 0.66 H new ATOM 0 HA PHE A 32 132.194 -5.153 6.006 1.00 0.64 H new ATOM 0 HB2 PHE A 32 131.130 -4.582 3.846 1.00 0.58 H new ATOM 0 HB3 PHE A 32 130.036 -3.490 4.672 1.00 0.58 H new ATOM 0 HD1 PHE A 32 133.720 -4.127 4.389 1.00 1.19 H new ATOM 0 HD2 PHE A 32 130.601 -1.247 4.740 1.00 1.31 H new ATOM 0 HE1 PHE A 32 135.369 -2.318 4.179 1.00 1.20 H new ATOM 0 HE2 PHE A 32 132.247 0.565 4.532 1.00 1.42 H new ATOM 0 HZ PHE A 32 134.636 0.032 4.250 1.00 0.79 H new ATOM 490 N MET A 33 129.708 -3.535 7.440 1.00 0.70 N ATOM 491 CA MET A 33 129.323 -2.715 8.575 1.00 0.76 C ATOM 492 C MET A 33 129.573 -3.468 9.869 1.00 0.85 C ATOM 493 O MET A 33 129.968 -2.883 10.877 1.00 0.93 O ATOM 494 CB MET A 33 127.851 -2.310 8.474 1.00 0.80 C ATOM 495 CG MET A 33 127.610 -1.109 7.574 1.00 1.06 C ATOM 496 SD MET A 33 126.371 0.021 8.239 1.00 1.68 S ATOM 497 CE MET A 33 125.452 -1.077 9.314 1.00 2.39 C ATOM 0 H MET A 33 128.927 -3.835 6.856 1.00 0.70 H new ATOM 0 HA MET A 33 129.929 -1.809 8.569 1.00 0.76 H new ATOM 0 HB2 MET A 33 127.275 -3.156 8.099 1.00 0.80 H new ATOM 0 HB3 MET A 33 127.475 -2.086 9.472 1.00 0.80 H new ATOM 0 HG2 MET A 33 128.548 -0.572 7.433 1.00 1.06 H new ATOM 0 HG3 MET A 33 127.290 -1.455 6.591 1.00 1.06 H new ATOM 0 HE1 MET A 33 124.499 -0.617 9.574 1.00 2.39 H new ATOM 0 HE2 MET A 33 125.271 -2.022 8.801 1.00 2.39 H new ATOM 0 HE3 MET A 33 126.026 -1.261 10.222 1.00 2.39 H new ATOM 507 N VAL A 34 129.361 -4.776 9.824 1.00 0.85 N ATOM 508 CA VAL A 34 129.590 -5.617 10.991 1.00 0.96 C ATOM 509 C VAL A 34 131.077 -5.879 11.153 1.00 0.98 C ATOM 510 O VAL A 34 131.591 -5.967 12.268 1.00 1.06 O ATOM 511 CB VAL A 34 128.839 -6.960 10.904 1.00 1.01 C ATOM 512 CG1 VAL A 34 127.384 -6.737 10.520 1.00 1.04 C ATOM 513 CG2 VAL A 34 129.524 -7.894 9.921 1.00 1.04 C ATOM 0 H VAL A 34 129.033 -5.276 8.997 1.00 0.85 H new ATOM 0 HA VAL A 34 129.204 -5.079 11.857 1.00 0.96 H new ATOM 0 HB VAL A 34 128.860 -7.430 11.887 1.00 1.01 H new ATOM 0 HG11 VAL A 34 126.871 -7.697 10.464 1.00 1.04 H new ATOM 0 HG12 VAL A 34 126.901 -6.111 11.271 1.00 1.04 H new ATOM 0 HG13 VAL A 34 127.335 -6.243 9.550 1.00 1.04 H new ATOM 0 HG21 VAL A 34 128.978 -8.837 9.874 1.00 1.04 H new ATOM 0 HG22 VAL A 34 129.540 -7.434 8.933 1.00 1.04 H new ATOM 0 HG23 VAL A 34 130.546 -8.082 10.250 1.00 1.04 H new ATOM 523 N THR A 35 131.765 -5.977 10.023 1.00 0.91 N ATOM 524 CA THR A 35 133.201 -6.199 10.021 1.00 0.96 C ATOM 525 C THR A 35 133.925 -4.895 10.331 1.00 0.92 C ATOM 526 O THR A 35 135.046 -4.895 10.839 1.00 0.99 O ATOM 527 CB THR A 35 133.661 -6.747 8.668 1.00 0.93 C ATOM 528 OG1 THR A 35 134.691 -7.703 8.839 1.00 1.43 O ATOM 529 CG2 THR A 35 134.181 -5.675 7.734 1.00 1.46 C ATOM 0 H THR A 35 131.348 -5.906 9.095 1.00 0.91 H new ATOM 0 HA THR A 35 133.441 -6.935 10.789 1.00 0.96 H new ATOM 0 HB THR A 35 132.774 -7.197 8.222 1.00 0.93 H new ATOM 0 HG1 THR A 35 134.970 -8.043 7.963 1.00 1.43 H new ATOM 0 HG21 THR A 35 134.490 -6.131 6.793 1.00 1.46 H new ATOM 0 HG22 THR A 35 133.394 -4.946 7.542 1.00 1.46 H new ATOM 0 HG23 THR A 35 135.034 -5.175 8.193 1.00 1.46 H new ATOM 537 N LEU A 36 133.261 -3.783 10.027 1.00 0.83 N ATOM 538 CA LEU A 36 133.814 -2.461 10.275 1.00 0.83 C ATOM 539 C LEU A 36 132.707 -1.414 10.291 1.00 0.80 C ATOM 540 O LEU A 36 132.684 -0.504 9.462 1.00 0.74 O ATOM 541 CB LEU A 36 134.856 -2.107 9.216 1.00 0.77 C ATOM 542 CG LEU A 36 134.459 -2.443 7.778 1.00 0.65 C ATOM 543 CD1 LEU A 36 133.402 -1.471 7.276 1.00 0.57 C ATOM 544 CD2 LEU A 36 135.680 -2.420 6.871 1.00 0.73 C ATOM 0 H LEU A 36 132.332 -3.775 9.605 1.00 0.83 H new ATOM 0 HA LEU A 36 134.299 -2.472 11.251 1.00 0.83 H new ATOM 0 HB2 LEU A 36 135.067 -1.039 9.278 1.00 0.77 H new ATOM 0 HB3 LEU A 36 135.783 -2.629 9.452 1.00 0.77 H new ATOM 0 HG LEU A 36 134.037 -3.448 7.762 1.00 0.65 H new ATOM 0 HD11 LEU A 36 133.131 -1.725 6.251 1.00 0.57 H new ATOM 0 HD12 LEU A 36 132.518 -1.535 7.911 1.00 0.57 H new ATOM 0 HD13 LEU A 36 133.798 -0.456 7.306 1.00 0.57 H new ATOM 0 HD21 LEU A 36 135.380 -2.661 5.851 1.00 0.73 H new ATOM 0 HD22 LEU A 36 136.130 -1.427 6.892 1.00 0.73 H new ATOM 0 HD23 LEU A 36 136.406 -3.155 7.219 1.00 0.73 H new ATOM 556 N ASP A 37 131.787 -1.558 11.237 1.00 0.90 N ATOM 557 CA ASP A 37 130.665 -0.633 11.367 1.00 0.95 C ATOM 558 C ASP A 37 131.146 0.811 11.389 1.00 1.00 C ATOM 559 O ASP A 37 130.389 1.734 11.087 1.00 1.06 O ATOM 560 CB ASP A 37 129.867 -0.937 12.637 1.00 1.09 C ATOM 561 CG ASP A 37 130.156 -2.319 13.189 1.00 1.97 C ATOM 562 OD1 ASP A 37 131.336 -2.727 13.180 1.00 2.64 O ATOM 563 OD2 ASP A 37 129.202 -2.993 13.630 1.00 2.71 O ATOM 0 H ASP A 37 131.795 -2.308 11.928 1.00 0.90 H new ATOM 0 HA ASP A 37 130.018 -0.767 10.500 1.00 0.95 H new ATOM 0 HB2 ASP A 37 130.100 -0.190 13.396 1.00 1.09 H new ATOM 0 HB3 ASP A 37 128.802 -0.851 12.422 1.00 1.09 H new ATOM 568 N ALA A 38 132.408 0.999 11.747 1.00 1.01 N ATOM 569 CA ALA A 38 132.993 2.332 11.808 1.00 1.09 C ATOM 570 C ALA A 38 134.193 2.442 10.876 1.00 0.99 C ATOM 571 O ALA A 38 135.112 3.224 11.120 1.00 1.07 O ATOM 572 CB ALA A 38 133.397 2.668 13.236 1.00 1.33 C ATOM 0 H ALA A 38 133.047 0.245 12.000 1.00 1.01 H new ATOM 0 HA ALA A 38 132.241 3.049 11.479 1.00 1.09 H new ATOM 0 HB1 ALA A 38 133.832 3.667 13.265 1.00 1.33 H new ATOM 0 HB2 ALA A 38 132.518 2.636 13.880 1.00 1.33 H new ATOM 0 HB3 ALA A 38 134.130 1.942 13.587 1.00 1.33 H new ATOM 578 N TYR A 39 134.179 1.652 9.808 1.00 0.84 N ATOM 579 CA TYR A 39 135.268 1.660 8.841 1.00 0.81 C ATOM 580 C TYR A 39 136.616 1.622 9.551 1.00 0.98 C ATOM 581 O TYR A 39 137.647 1.956 8.969 1.00 1.04 O ATOM 582 CB TYR A 39 135.179 2.902 7.952 1.00 0.80 C ATOM 583 CG TYR A 39 133.840 3.600 8.023 1.00 0.96 C ATOM 584 CD1 TYR A 39 133.598 4.587 8.971 1.00 1.38 C ATOM 585 CD2 TYR A 39 132.817 3.273 7.142 1.00 1.71 C ATOM 586 CE1 TYR A 39 132.375 5.226 9.040 1.00 1.61 C ATOM 587 CE2 TYR A 39 131.591 3.908 7.204 1.00 2.04 C ATOM 588 CZ TYR A 39 131.376 4.883 8.155 1.00 1.68 C ATOM 589 OH TYR A 39 130.156 5.517 8.220 1.00 2.10 O ATOM 0 H TYR A 39 133.426 0.999 9.591 1.00 0.84 H new ATOM 0 HA TYR A 39 135.179 0.771 8.217 1.00 0.81 H new ATOM 0 HB2 TYR A 39 135.961 3.603 8.242 1.00 0.80 H new ATOM 0 HB3 TYR A 39 135.376 2.615 6.919 1.00 0.80 H new ATOM 0 HD1 TYR A 39 134.379 4.859 9.665 1.00 1.38 H new ATOM 0 HD2 TYR A 39 132.982 2.510 6.396 1.00 1.71 H new ATOM 0 HE1 TYR A 39 132.203 5.990 9.784 1.00 1.61 H new ATOM 0 HE2 TYR A 39 130.806 3.642 6.512 1.00 2.04 H new ATOM 0 HH TYR A 39 130.279 6.430 8.555 1.00 2.10 H new ATOM 599 N LYS A 40 136.599 1.214 10.815 1.00 1.17 N ATOM 600 CA LYS A 40 137.817 1.134 11.609 1.00 1.42 C ATOM 601 C LYS A 40 138.748 0.046 11.081 1.00 1.51 C ATOM 602 O LYS A 40 139.324 -0.718 11.855 1.00 1.88 O ATOM 603 CB LYS A 40 137.476 0.860 13.075 1.00 1.75 C ATOM 604 CG LYS A 40 138.308 1.670 14.056 1.00 2.28 C ATOM 605 CD LYS A 40 137.785 3.092 14.190 1.00 2.70 C ATOM 606 CE LYS A 40 136.289 3.163 13.930 1.00 2.81 C ATOM 607 NZ LYS A 40 135.514 2.367 14.921 1.00 3.81 N ATOM 0 H LYS A 40 135.753 0.933 11.311 1.00 1.17 H new ATOM 0 HA LYS A 40 138.331 2.092 11.532 1.00 1.42 H new ATOM 0 HB2 LYS A 40 136.421 1.078 13.240 1.00 1.75 H new ATOM 0 HB3 LYS A 40 137.619 -0.201 13.280 1.00 1.75 H new ATOM 0 HG2 LYS A 40 138.297 1.184 15.032 1.00 2.28 H new ATOM 0 HG3 LYS A 40 139.345 1.693 13.723 1.00 2.28 H new ATOM 0 HD2 LYS A 40 137.999 3.467 15.191 1.00 2.70 H new ATOM 0 HD3 LYS A 40 138.308 3.741 13.488 1.00 2.70 H new ATOM 0 HE2 LYS A 40 135.963 4.203 13.965 1.00 2.81 H new ATOM 0 HE3 LYS A 40 136.078 2.797 12.925 1.00 2.81 H new ATOM 0 HZ1 LYS A 40 134.689 2.915 15.237 1.00 3.81 H new ATOM 0 HZ2 LYS A 40 135.193 1.481 14.480 1.00 3.81 H new ATOM 0 HZ3 LYS A 40 136.118 2.148 15.739 1.00 3.81 H new ATOM 621 N ALA A 41 138.892 -0.020 9.760 1.00 1.58 N ATOM 622 CA ALA A 41 139.755 -1.018 9.140 1.00 1.99 C ATOM 623 C ALA A 41 140.125 -0.632 7.709 1.00 1.75 C ATOM 624 O ALA A 41 140.578 -1.472 6.932 1.00 2.21 O ATOM 625 CB ALA A 41 139.079 -2.381 9.160 1.00 2.54 C ATOM 0 H ALA A 41 138.424 0.603 9.102 1.00 1.58 H new ATOM 0 HA ALA A 41 140.677 -1.066 9.719 1.00 1.99 H new ATOM 0 HB1 ALA A 41 139.733 -3.118 8.694 1.00 2.54 H new ATOM 0 HB2 ALA A 41 138.879 -2.673 10.191 1.00 2.54 H new ATOM 0 HB3 ALA A 41 138.140 -2.330 8.609 1.00 2.54 H new ATOM 631 N LEU A 42 139.933 0.638 7.364 1.00 1.28 N ATOM 632 CA LEU A 42 140.253 1.117 6.028 1.00 1.28 C ATOM 633 C LEU A 42 141.691 1.627 5.959 1.00 1.44 C ATOM 634 O LEU A 42 142.636 0.882 6.220 1.00 2.31 O ATOM 635 CB LEU A 42 139.275 2.215 5.596 1.00 1.52 C ATOM 636 CG LEU A 42 139.212 3.451 6.501 1.00 1.84 C ATOM 637 CD1 LEU A 42 137.873 3.518 7.218 1.00 1.69 C ATOM 638 CD2 LEU A 42 140.356 3.453 7.505 1.00 2.65 C ATOM 0 H LEU A 42 139.558 1.350 7.991 1.00 1.28 H new ATOM 0 HA LEU A 42 140.156 0.277 5.340 1.00 1.28 H new ATOM 0 HB2 LEU A 42 139.544 2.539 4.590 1.00 1.52 H new ATOM 0 HB3 LEU A 42 138.277 1.782 5.536 1.00 1.52 H new ATOM 0 HG LEU A 42 139.314 4.335 5.872 1.00 1.84 H new ATOM 0 HD11 LEU A 42 137.846 4.401 7.856 1.00 1.69 H new ATOM 0 HD12 LEU A 42 137.070 3.576 6.484 1.00 1.69 H new ATOM 0 HD13 LEU A 42 137.742 2.625 7.829 1.00 1.69 H new ATOM 0 HD21 LEU A 42 140.287 4.341 8.134 1.00 2.65 H new ATOM 0 HD22 LEU A 42 140.295 2.561 8.128 1.00 2.65 H new ATOM 0 HD23 LEU A 42 141.307 3.459 6.973 1.00 2.65 H new ATOM 650 N SER A 43 141.849 2.899 5.607 1.00 1.61 N ATOM 651 CA SER A 43 143.172 3.505 5.507 1.00 2.31 C ATOM 652 C SER A 43 144.158 2.564 4.829 1.00 2.04 C ATOM 653 O SER A 43 144.398 2.654 3.625 1.00 2.17 O ATOM 654 CB SER A 43 143.692 3.890 6.894 1.00 3.26 C ATOM 655 OG SER A 43 142.798 3.476 7.912 1.00 3.73 O ATOM 0 H SER A 43 141.078 3.530 5.386 1.00 1.61 H new ATOM 0 HA SER A 43 143.079 4.404 4.898 1.00 2.31 H new ATOM 0 HB2 SER A 43 144.669 3.435 7.058 1.00 3.26 H new ATOM 0 HB3 SER A 43 143.831 4.970 6.946 1.00 3.26 H new ATOM 0 HG SER A 43 143.157 3.734 8.787 1.00 3.73 H new ATOM 661 N LYS A 44 144.728 1.668 5.618 1.00 1.82 N ATOM 662 CA LYS A 44 145.700 0.705 5.113 1.00 1.83 C ATOM 663 C LYS A 44 145.215 0.055 3.826 1.00 1.61 C ATOM 664 O LYS A 44 145.968 -0.073 2.861 1.00 2.09 O ATOM 665 CB LYS A 44 145.983 -0.368 6.166 1.00 2.04 C ATOM 666 CG LYS A 44 147.379 -0.281 6.763 1.00 2.41 C ATOM 667 CD LYS A 44 147.434 0.712 7.912 1.00 2.91 C ATOM 668 CE LYS A 44 146.398 1.812 7.749 1.00 3.26 C ATOM 669 NZ LYS A 44 146.693 2.986 8.617 1.00 4.14 N ATOM 0 H LYS A 44 144.535 1.585 6.616 1.00 1.82 H new ATOM 0 HA LYS A 44 146.622 1.245 4.896 1.00 1.83 H new ATOM 0 HB2 LYS A 44 145.248 -0.282 6.967 1.00 2.04 H new ATOM 0 HB3 LYS A 44 145.850 -1.352 5.715 1.00 2.04 H new ATOM 0 HG2 LYS A 44 147.686 -1.265 7.117 1.00 2.41 H new ATOM 0 HG3 LYS A 44 148.088 0.016 5.990 1.00 2.41 H new ATOM 0 HD2 LYS A 44 147.266 0.190 8.854 1.00 2.91 H new ATOM 0 HD3 LYS A 44 148.429 1.153 7.965 1.00 2.91 H new ATOM 0 HE2 LYS A 44 146.367 2.130 6.707 1.00 3.26 H new ATOM 0 HE3 LYS A 44 145.411 1.420 7.992 1.00 3.26 H new ATOM 0 HZ1 LYS A 44 145.801 3.434 8.910 1.00 4.14 H new ATOM 0 HZ2 LYS A 44 147.216 2.672 9.460 1.00 4.14 H new ATOM 0 HZ3 LYS A 44 147.268 3.673 8.089 1.00 4.14 H new ATOM 683 N ASP A 45 143.953 -0.345 3.824 1.00 1.45 N ATOM 684 CA ASP A 45 143.342 -0.983 2.659 1.00 1.52 C ATOM 685 C ASP A 45 142.749 -2.339 3.018 1.00 1.34 C ATOM 686 O ASP A 45 142.531 -3.184 2.149 1.00 1.60 O ATOM 687 CB ASP A 45 144.367 -1.155 1.543 1.00 1.96 C ATOM 688 CG ASP A 45 145.444 -2.162 1.895 1.00 2.39 C ATOM 689 OD1 ASP A 45 145.094 -3.274 2.342 1.00 2.84 O ATOM 690 OD2 ASP A 45 146.639 -1.839 1.723 1.00 3.00 O ATOM 0 H ASP A 45 143.325 -0.240 4.620 1.00 1.45 H new ATOM 0 HA ASP A 45 142.538 -0.333 2.314 1.00 1.52 H new ATOM 0 HB2 ASP A 45 143.859 -1.474 0.633 1.00 1.96 H new ATOM 0 HB3 ASP A 45 144.830 -0.192 1.328 1.00 1.96 H new ATOM 695 N LYS A 46 142.486 -2.538 4.300 1.00 1.10 N ATOM 696 CA LYS A 46 141.912 -3.790 4.777 1.00 1.08 C ATOM 697 C LYS A 46 140.437 -3.874 4.410 1.00 0.96 C ATOM 698 O LYS A 46 139.767 -4.865 4.701 1.00 1.20 O ATOM 699 CB LYS A 46 142.081 -3.915 6.293 1.00 1.23 C ATOM 700 CG LYS A 46 143.517 -4.156 6.727 1.00 1.43 C ATOM 701 CD LYS A 46 144.254 -2.847 6.960 1.00 1.91 C ATOM 702 CE LYS A 46 143.344 -1.799 7.578 1.00 2.19 C ATOM 703 NZ LYS A 46 144.080 -0.906 8.515 1.00 2.94 N ATOM 0 H LYS A 46 142.661 -1.849 5.031 1.00 1.10 H new ATOM 0 HA LYS A 46 142.441 -4.613 4.296 1.00 1.08 H new ATOM 0 HB2 LYS A 46 141.715 -3.004 6.767 1.00 1.23 H new ATOM 0 HB3 LYS A 46 141.459 -4.734 6.653 1.00 1.23 H new ATOM 0 HG2 LYS A 46 143.527 -4.749 7.642 1.00 1.43 H new ATOM 0 HG3 LYS A 46 144.036 -4.737 5.965 1.00 1.43 H new ATOM 0 HD2 LYS A 46 145.108 -3.020 7.615 1.00 1.91 H new ATOM 0 HD3 LYS A 46 144.648 -2.476 6.014 1.00 1.91 H new ATOM 0 HE2 LYS A 46 142.890 -1.201 6.788 1.00 2.19 H new ATOM 0 HE3 LYS A 46 142.531 -2.293 8.110 1.00 2.19 H new ATOM 0 HZ1 LYS A 46 143.720 -1.043 9.481 1.00 2.94 H new ATOM 0 HZ2 LYS A 46 145.094 -1.135 8.488 1.00 2.94 H new ATOM 0 HZ3 LYS A 46 143.941 0.085 8.231 1.00 2.94 H new ATOM 717 N VAL A 47 139.939 -2.824 3.767 1.00 0.87 N ATOM 718 CA VAL A 47 138.545 -2.773 3.355 1.00 0.85 C ATOM 719 C VAL A 47 138.368 -3.331 1.947 1.00 0.85 C ATOM 720 O VAL A 47 137.374 -3.995 1.651 1.00 0.85 O ATOM 721 CB VAL A 47 137.999 -1.334 3.396 1.00 0.98 C ATOM 722 CG1 VAL A 47 136.824 -1.180 2.443 1.00 1.13 C ATOM 723 CG2 VAL A 47 137.598 -0.955 4.814 1.00 1.14 C ATOM 0 H VAL A 47 140.482 -1.997 3.520 1.00 0.87 H new ATOM 0 HA VAL A 47 137.984 -3.386 4.060 1.00 0.85 H new ATOM 0 HB VAL A 47 138.789 -0.656 3.073 1.00 0.98 H new ATOM 0 HG11 VAL A 47 136.452 -0.156 2.486 1.00 1.13 H new ATOM 0 HG12 VAL A 47 137.148 -1.406 1.427 1.00 1.13 H new ATOM 0 HG13 VAL A 47 136.029 -1.867 2.732 1.00 1.13 H new ATOM 0 HG21 VAL A 47 137.215 0.065 4.823 1.00 1.14 H new ATOM 0 HG22 VAL A 47 136.825 -1.637 5.168 1.00 1.14 H new ATOM 0 HG23 VAL A 47 138.467 -1.022 5.468 1.00 1.14 H new ATOM 733 N LYS A 48 139.337 -3.054 1.081 1.00 0.97 N ATOM 734 CA LYS A 48 139.290 -3.524 -0.298 1.00 1.09 C ATOM 735 C LYS A 48 139.683 -4.992 -0.392 1.00 1.08 C ATOM 736 O LYS A 48 139.229 -5.713 -1.280 1.00 1.13 O ATOM 737 CB LYS A 48 140.209 -2.679 -1.179 1.00 1.33 C ATOM 738 CG LYS A 48 140.152 -1.195 -0.861 1.00 1.44 C ATOM 739 CD LYS A 48 141.316 -0.770 0.019 1.00 1.55 C ATOM 740 CE LYS A 48 141.165 0.669 0.485 1.00 1.83 C ATOM 741 NZ LYS A 48 142.059 1.593 -0.266 1.00 2.22 N ATOM 0 H LYS A 48 140.166 -2.505 1.311 1.00 0.97 H new ATOM 0 HA LYS A 48 138.264 -3.422 -0.652 1.00 1.09 H new ATOM 0 HB2 LYS A 48 141.235 -3.029 -1.062 1.00 1.33 H new ATOM 0 HB3 LYS A 48 139.938 -2.830 -2.224 1.00 1.33 H new ATOM 0 HG2 LYS A 48 140.167 -0.622 -1.788 1.00 1.44 H new ATOM 0 HG3 LYS A 48 139.212 -0.965 -0.359 1.00 1.44 H new ATOM 0 HD2 LYS A 48 141.379 -1.429 0.885 1.00 1.55 H new ATOM 0 HD3 LYS A 48 142.250 -0.879 -0.533 1.00 1.55 H new ATOM 0 HE2 LYS A 48 140.129 0.984 0.359 1.00 1.83 H new ATOM 0 HE3 LYS A 48 141.390 0.731 1.550 1.00 1.83 H new ATOM 0 HZ1 LYS A 48 141.926 2.564 0.082 1.00 2.22 H new ATOM 0 HZ2 LYS A 48 143.049 1.308 -0.126 1.00 2.22 H new ATOM 0 HZ3 LYS A 48 141.827 1.553 -1.279 1.00 2.22 H new ATOM 755 N GLU A 49 140.528 -5.428 0.531 1.00 1.09 N ATOM 756 CA GLU A 49 140.981 -6.813 0.555 1.00 1.20 C ATOM 757 C GLU A 49 139.794 -7.760 0.659 1.00 1.09 C ATOM 758 O GLU A 49 139.881 -8.929 0.284 1.00 1.18 O ATOM 759 CB GLU A 49 141.939 -7.047 1.723 1.00 1.35 C ATOM 760 CG GLU A 49 142.474 -5.765 2.338 1.00 1.74 C ATOM 761 CD GLU A 49 143.678 -6.005 3.228 1.00 2.20 C ATOM 762 OE1 GLU A 49 143.822 -7.136 3.738 1.00 2.82 O ATOM 763 OE2 GLU A 49 144.476 -5.062 3.415 1.00 2.42 O ATOM 0 H GLU A 49 140.914 -4.844 1.273 1.00 1.09 H new ATOM 0 HA GLU A 49 141.511 -7.013 -0.376 1.00 1.20 H new ATOM 0 HB2 GLU A 49 141.426 -7.623 2.493 1.00 1.35 H new ATOM 0 HB3 GLU A 49 142.778 -7.652 1.378 1.00 1.35 H new ATOM 0 HG2 GLU A 49 142.747 -5.071 1.543 1.00 1.74 H new ATOM 0 HG3 GLU A 49 141.685 -5.289 2.920 1.00 1.74 H new ATOM 770 N ALA A 50 138.685 -7.242 1.171 1.00 0.96 N ATOM 771 CA ALA A 50 137.472 -8.034 1.325 1.00 0.97 C ATOM 772 C ALA A 50 136.435 -7.644 0.283 1.00 0.87 C ATOM 773 O ALA A 50 135.665 -8.479 -0.193 1.00 0.95 O ATOM 774 CB ALA A 50 136.906 -7.871 2.727 1.00 1.06 C ATOM 0 H ALA A 50 138.601 -6.276 1.487 1.00 0.96 H new ATOM 0 HA ALA A 50 137.728 -9.083 1.173 1.00 0.97 H new ATOM 0 HB1 ALA A 50 136.000 -8.469 2.825 1.00 1.06 H new ATOM 0 HB2 ALA A 50 137.643 -8.205 3.458 1.00 1.06 H new ATOM 0 HB3 ALA A 50 136.669 -6.822 2.904 1.00 1.06 H new ATOM 780 N SER A 51 136.426 -6.368 -0.067 1.00 0.79 N ATOM 781 CA SER A 51 135.492 -5.850 -1.054 1.00 0.81 C ATOM 782 C SER A 51 135.926 -6.235 -2.461 1.00 0.83 C ATOM 783 O SER A 51 135.096 -6.483 -3.336 1.00 0.90 O ATOM 784 CB SER A 51 135.377 -4.329 -0.936 1.00 0.88 C ATOM 785 OG SER A 51 135.019 -3.746 -2.177 1.00 1.60 O ATOM 0 H SER A 51 137.059 -5.668 0.320 1.00 0.79 H new ATOM 0 HA SER A 51 134.514 -6.292 -0.861 1.00 0.81 H new ATOM 0 HB2 SER A 51 134.631 -4.075 -0.183 1.00 0.88 H new ATOM 0 HB3 SER A 51 136.326 -3.915 -0.597 1.00 0.88 H new ATOM 0 HG SER A 51 134.951 -2.774 -2.074 1.00 1.60 H new ATOM 791 N ALA A 52 137.234 -6.286 -2.665 1.00 0.87 N ATOM 792 CA ALA A 52 137.791 -6.644 -3.963 1.00 0.95 C ATOM 793 C ALA A 52 137.283 -8.003 -4.408 1.00 0.90 C ATOM 794 O ALA A 52 136.999 -8.222 -5.586 1.00 0.97 O ATOM 795 CB ALA A 52 139.312 -6.630 -3.913 1.00 1.07 C ATOM 0 H ALA A 52 137.931 -6.084 -1.948 1.00 0.87 H new ATOM 0 HA ALA A 52 137.464 -5.903 -4.692 1.00 0.95 H new ATOM 0 HB1 ALA A 52 139.711 -6.900 -4.891 1.00 1.07 H new ATOM 0 HB2 ALA A 52 139.658 -5.632 -3.643 1.00 1.07 H new ATOM 0 HB3 ALA A 52 139.658 -7.348 -3.169 1.00 1.07 H new ATOM 801 N LYS A 53 137.160 -8.904 -3.451 1.00 0.85 N ATOM 802 CA LYS A 53 136.671 -10.244 -3.721 1.00 0.91 C ATOM 803 C LYS A 53 135.159 -10.225 -3.868 1.00 0.94 C ATOM 804 O LYS A 53 134.584 -10.977 -4.656 1.00 1.03 O ATOM 805 CB LYS A 53 137.076 -11.193 -2.595 1.00 1.00 C ATOM 806 CG LYS A 53 138.560 -11.521 -2.579 1.00 1.28 C ATOM 807 CD LYS A 53 139.384 -10.347 -2.074 1.00 1.48 C ATOM 808 CE LYS A 53 140.235 -9.747 -3.182 1.00 1.77 C ATOM 809 NZ LYS A 53 141.344 -10.655 -3.583 1.00 2.46 N ATOM 0 H LYS A 53 137.394 -8.731 -2.473 1.00 0.85 H new ATOM 0 HA LYS A 53 137.114 -10.598 -4.652 1.00 0.91 H new ATOM 0 HB2 LYS A 53 136.801 -10.747 -1.639 1.00 1.00 H new ATOM 0 HB3 LYS A 53 136.509 -12.119 -2.690 1.00 1.00 H new ATOM 0 HG2 LYS A 53 138.735 -12.390 -1.944 1.00 1.28 H new ATOM 0 HG3 LYS A 53 138.885 -11.790 -3.584 1.00 1.28 H new ATOM 0 HD2 LYS A 53 138.721 -9.583 -1.669 1.00 1.48 H new ATOM 0 HD3 LYS A 53 140.027 -10.676 -1.258 1.00 1.48 H new ATOM 0 HE2 LYS A 53 139.607 -9.536 -4.048 1.00 1.77 H new ATOM 0 HE3 LYS A 53 140.648 -8.795 -2.848 1.00 1.77 H new ATOM 0 HZ1 LYS A 53 142.015 -10.138 -4.186 1.00 2.46 H new ATOM 0 HZ2 LYS A 53 141.836 -10.999 -2.733 1.00 2.46 H new ATOM 0 HZ3 LYS A 53 140.957 -11.464 -4.110 1.00 2.46 H new ATOM 823 N LEU A 54 134.529 -9.348 -3.102 1.00 0.95 N ATOM 824 CA LEU A 54 133.085 -9.199 -3.129 1.00 1.09 C ATOM 825 C LEU A 54 132.654 -8.395 -4.346 1.00 1.14 C ATOM 826 O LEU A 54 131.556 -8.580 -4.872 1.00 1.31 O ATOM 827 CB LEU A 54 132.602 -8.511 -1.852 1.00 1.14 C ATOM 828 CG LEU A 54 132.313 -7.015 -1.994 1.00 1.12 C ATOM 829 CD1 LEU A 54 131.143 -6.784 -2.937 1.00 1.48 C ATOM 830 CD2 LEU A 54 132.034 -6.395 -0.633 1.00 1.08 C ATOM 0 H LEU A 54 135.002 -8.724 -2.448 1.00 0.95 H new ATOM 0 HA LEU A 54 132.637 -10.191 -3.190 1.00 1.09 H new ATOM 0 HB2 LEU A 54 131.696 -9.010 -1.509 1.00 1.14 H new ATOM 0 HB3 LEU A 54 133.355 -8.648 -1.076 1.00 1.14 H new ATOM 0 HG LEU A 54 133.194 -6.533 -2.417 1.00 1.12 H new ATOM 0 HD11 LEU A 54 130.953 -5.714 -3.025 1.00 1.48 H new ATOM 0 HD12 LEU A 54 131.381 -7.192 -3.919 1.00 1.48 H new ATOM 0 HD13 LEU A 54 130.255 -7.279 -2.544 1.00 1.48 H new ATOM 0 HD21 LEU A 54 131.831 -5.331 -0.753 1.00 1.08 H new ATOM 0 HD22 LEU A 54 131.169 -6.881 -0.182 1.00 1.08 H new ATOM 0 HD23 LEU A 54 132.902 -6.528 0.012 1.00 1.08 H new ATOM 842 N ILE A 55 133.528 -7.500 -4.783 1.00 1.05 N ATOM 843 CA ILE A 55 133.248 -6.657 -5.938 1.00 1.19 C ATOM 844 C ILE A 55 133.425 -7.426 -7.241 1.00 1.18 C ATOM 845 O ILE A 55 132.880 -7.049 -8.277 1.00 1.27 O ATOM 846 CB ILE A 55 134.162 -5.421 -5.961 1.00 1.33 C ATOM 847 CG1 ILE A 55 135.586 -5.810 -5.563 1.00 1.15 C ATOM 848 CG2 ILE A 55 133.619 -4.347 -5.032 1.00 1.83 C ATOM 849 CD1 ILE A 55 136.615 -5.512 -6.632 1.00 1.55 C ATOM 0 H ILE A 55 134.439 -7.338 -4.355 1.00 1.05 H new ATOM 0 HA ILE A 55 132.210 -6.336 -5.849 1.00 1.19 H new ATOM 0 HB ILE A 55 134.185 -5.019 -6.974 1.00 1.33 H new ATOM 0 HG12 ILE A 55 135.858 -5.279 -4.651 1.00 1.15 H new ATOM 0 HG13 ILE A 55 135.612 -6.875 -5.332 1.00 1.15 H new ATOM 0 HG21 ILE A 55 134.276 -3.477 -5.058 1.00 1.83 H new ATOM 0 HG22 ILE A 55 132.620 -4.057 -5.356 1.00 1.83 H new ATOM 0 HG23 ILE A 55 133.572 -4.736 -4.015 1.00 1.83 H new ATOM 0 HD11 ILE A 55 137.602 -5.814 -6.281 1.00 1.55 H new ATOM 0 HD12 ILE A 55 136.368 -6.064 -7.539 1.00 1.55 H new ATOM 0 HD13 ILE A 55 136.617 -4.443 -6.847 1.00 1.55 H new ATOM 861 N LYS A 56 134.191 -8.506 -7.181 1.00 1.14 N ATOM 862 CA LYS A 56 134.443 -9.329 -8.353 1.00 1.24 C ATOM 863 C LYS A 56 133.194 -10.112 -8.744 1.00 1.23 C ATOM 864 O LYS A 56 133.134 -10.711 -9.818 1.00 1.34 O ATOM 865 CB LYS A 56 135.598 -10.293 -8.085 1.00 1.35 C ATOM 866 CG LYS A 56 136.798 -10.073 -8.992 1.00 1.74 C ATOM 867 CD LYS A 56 137.499 -8.761 -8.679 1.00 2.53 C ATOM 868 CE LYS A 56 138.948 -8.782 -9.137 1.00 3.61 C ATOM 869 NZ LYS A 56 139.747 -9.807 -8.410 1.00 4.31 N ATOM 0 H LYS A 56 134.649 -8.833 -6.330 1.00 1.14 H new ATOM 0 HA LYS A 56 134.712 -8.670 -9.179 1.00 1.24 H new ATOM 0 HB2 LYS A 56 135.914 -10.189 -7.047 1.00 1.35 H new ATOM 0 HB3 LYS A 56 135.242 -11.316 -8.209 1.00 1.35 H new ATOM 0 HG2 LYS A 56 137.500 -10.899 -8.875 1.00 1.74 H new ATOM 0 HG3 LYS A 56 136.474 -10.075 -10.033 1.00 1.74 H new ATOM 0 HD2 LYS A 56 136.973 -7.941 -9.168 1.00 2.53 H new ATOM 0 HD3 LYS A 56 137.458 -8.572 -7.606 1.00 2.53 H new ATOM 0 HE2 LYS A 56 138.987 -8.984 -10.207 1.00 3.61 H new ATOM 0 HE3 LYS A 56 139.392 -7.799 -8.981 1.00 3.61 H new ATOM 0 HZ1 LYS A 56 140.745 -9.516 -8.385 1.00 4.31 H new ATOM 0 HZ2 LYS A 56 139.389 -9.901 -7.438 1.00 4.31 H new ATOM 0 HZ3 LYS A 56 139.666 -10.721 -8.899 1.00 4.31 H new ATOM 883 N MET A 57 132.201 -10.105 -7.862 1.00 1.16 N ATOM 884 CA MET A 57 130.958 -10.815 -8.105 1.00 1.26 C ATOM 885 C MET A 57 129.894 -9.883 -8.676 1.00 1.31 C ATOM 886 O MET A 57 128.791 -10.316 -9.011 1.00 1.49 O ATOM 887 CB MET A 57 130.451 -11.457 -6.813 1.00 1.33 C ATOM 888 CG MET A 57 131.503 -11.533 -5.719 1.00 1.27 C ATOM 889 SD MET A 57 130.826 -12.085 -4.141 1.00 1.92 S ATOM 890 CE MET A 57 130.181 -10.546 -3.492 1.00 2.56 C ATOM 0 H MET A 57 132.236 -9.612 -6.970 1.00 1.16 H new ATOM 0 HA MET A 57 131.157 -11.597 -8.838 1.00 1.26 H new ATOM 0 HB2 MET A 57 129.597 -10.889 -6.445 1.00 1.33 H new ATOM 0 HB3 MET A 57 130.094 -12.463 -7.033 1.00 1.33 H new ATOM 0 HG2 MET A 57 132.295 -12.215 -6.029 1.00 1.27 H new ATOM 0 HG3 MET A 57 131.960 -10.552 -5.591 1.00 1.27 H new ATOM 0 HE1 MET A 57 130.820 -10.197 -2.680 1.00 2.56 H new ATOM 0 HE2 MET A 57 130.160 -9.798 -4.284 1.00 2.56 H new ATOM 0 HE3 MET A 57 129.170 -10.705 -3.116 1.00 2.56 H new ATOM 900 N ALA A 58 130.229 -8.601 -8.783 1.00 1.27 N ATOM 901 CA ALA A 58 129.294 -7.613 -9.312 1.00 1.44 C ATOM 902 C ALA A 58 129.982 -6.282 -9.604 1.00 1.27 C ATOM 903 O ALA A 58 129.560 -5.540 -10.491 1.00 1.45 O ATOM 904 CB ALA A 58 128.143 -7.405 -8.341 1.00 1.83 C ATOM 0 H ALA A 58 131.137 -8.223 -8.512 1.00 1.27 H new ATOM 0 HA ALA A 58 128.905 -7.999 -10.254 1.00 1.44 H new ATOM 0 HB1 ALA A 58 127.453 -6.666 -8.748 1.00 1.83 H new ATOM 0 HB2 ALA A 58 127.618 -8.348 -8.192 1.00 1.83 H new ATOM 0 HB3 ALA A 58 128.532 -7.052 -7.386 1.00 1.83 H new ATOM 910 N ASP A 59 131.034 -5.977 -8.850 1.00 1.27 N ATOM 911 CA ASP A 59 131.764 -4.733 -9.030 1.00 1.45 C ATOM 912 C ASP A 59 132.965 -4.923 -9.952 1.00 1.55 C ATOM 913 O ASP A 59 134.050 -5.296 -9.505 1.00 2.05 O ATOM 914 CB ASP A 59 132.225 -4.187 -7.678 1.00 2.11 C ATOM 915 CG ASP A 59 131.303 -3.108 -7.146 1.00 2.87 C ATOM 916 OD1 ASP A 59 130.081 -3.197 -7.392 1.00 3.46 O ATOM 917 OD2 ASP A 59 131.801 -2.173 -6.484 1.00 3.41 O ATOM 0 H ASP A 59 131.398 -6.576 -8.109 1.00 1.27 H new ATOM 0 HA ASP A 59 131.089 -4.015 -9.495 1.00 1.45 H new ATOM 0 HB2 ASP A 59 132.277 -5.004 -6.958 1.00 2.11 H new ATOM 0 HB3 ASP A 59 133.233 -3.784 -7.777 1.00 2.11 H new ATOM 922 N LYS A 60 132.767 -4.658 -11.239 1.00 1.46 N ATOM 923 CA LYS A 60 133.837 -4.792 -12.222 1.00 1.97 C ATOM 924 C LYS A 60 134.069 -3.471 -12.948 1.00 1.89 C ATOM 925 O LYS A 60 135.178 -3.186 -13.401 1.00 2.23 O ATOM 926 CB LYS A 60 133.508 -5.890 -13.237 1.00 2.39 C ATOM 927 CG LYS A 60 132.476 -6.890 -12.745 1.00 2.43 C ATOM 928 CD LYS A 60 131.178 -6.202 -12.359 1.00 2.14 C ATOM 929 CE LYS A 60 129.977 -7.099 -12.600 1.00 2.03 C ATOM 930 NZ LYS A 60 130.191 -8.020 -13.751 1.00 2.90 N ATOM 0 H LYS A 60 131.875 -4.349 -11.626 1.00 1.46 H new ATOM 0 HA LYS A 60 134.747 -5.067 -11.690 1.00 1.97 H new ATOM 0 HB2 LYS A 60 133.143 -5.427 -14.154 1.00 2.39 H new ATOM 0 HB3 LYS A 60 134.424 -6.423 -13.492 1.00 2.39 H new ATOM 0 HG2 LYS A 60 132.281 -7.627 -13.524 1.00 2.43 H new ATOM 0 HG3 LYS A 60 132.872 -7.431 -11.886 1.00 2.43 H new ATOM 0 HD2 LYS A 60 131.215 -5.917 -11.307 1.00 2.14 H new ATOM 0 HD3 LYS A 60 131.068 -5.283 -12.934 1.00 2.14 H new ATOM 0 HE2 LYS A 60 129.774 -7.682 -11.702 1.00 2.03 H new ATOM 0 HE3 LYS A 60 129.097 -6.484 -12.787 1.00 2.03 H new ATOM 0 HZ1 LYS A 60 129.271 -8.349 -14.108 1.00 2.90 H new ATOM 0 HZ2 LYS A 60 130.697 -7.518 -14.508 1.00 2.90 H new ATOM 0 HZ3 LYS A 60 130.755 -8.837 -13.441 1.00 2.90 H new ATOM 944 N ASN A 61 133.015 -2.668 -13.053 1.00 1.60 N ATOM 945 CA ASN A 61 133.103 -1.376 -13.722 1.00 1.72 C ATOM 946 C ASN A 61 132.097 -0.391 -13.137 1.00 1.70 C ATOM 947 O ASN A 61 131.825 0.657 -13.724 1.00 2.14 O ATOM 948 CB ASN A 61 132.863 -1.538 -15.224 1.00 2.07 C ATOM 949 CG ASN A 61 131.388 -1.610 -15.569 1.00 2.32 C ATOM 950 OD1 ASN A 61 130.990 -1.337 -16.702 1.00 3.07 O ATOM 951 ND2 ASN A 61 130.569 -1.978 -14.591 1.00 2.18 N ATOM 0 H ASN A 61 132.091 -2.890 -12.683 1.00 1.60 H new ATOM 0 HA ASN A 61 134.106 -0.980 -13.563 1.00 1.72 H new ATOM 0 HB2 ASN A 61 133.317 -0.701 -15.754 1.00 2.07 H new ATOM 0 HB3 ASN A 61 133.360 -2.443 -15.573 1.00 2.07 H new ATOM 0 HD21 ASN A 61 129.566 -2.044 -14.763 1.00 2.18 H new ATOM 0 HD22 ASN A 61 130.943 -2.195 -13.667 1.00 2.18 H new ATOM 958 N SER A 62 131.547 -0.733 -11.977 1.00 1.68 N ATOM 959 CA SER A 62 130.571 0.122 -11.313 1.00 2.28 C ATOM 960 C SER A 62 129.151 -0.354 -11.593 1.00 2.49 C ATOM 961 O SER A 62 128.403 0.289 -12.331 1.00 3.39 O ATOM 962 CB SER A 62 130.736 1.572 -11.773 1.00 3.02 C ATOM 963 OG SER A 62 130.135 2.470 -10.857 1.00 3.64 O ATOM 0 H SER A 62 131.761 -1.596 -11.477 1.00 1.68 H new ATOM 0 HA SER A 62 130.748 0.066 -10.239 1.00 2.28 H new ATOM 0 HB2 SER A 62 131.796 1.806 -11.874 1.00 3.02 H new ATOM 0 HB3 SER A 62 130.286 1.698 -12.758 1.00 3.02 H new ATOM 0 HG SER A 62 130.256 3.390 -11.173 1.00 3.64 H new ATOM 969 N ASP A 63 128.784 -1.485 -11.000 1.00 1.96 N ATOM 970 CA ASP A 63 127.458 -2.047 -11.183 1.00 2.47 C ATOM 971 C ASP A 63 126.888 -2.552 -9.861 1.00 2.00 C ATOM 972 O ASP A 63 125.687 -2.449 -9.613 1.00 2.47 O ATOM 973 CB ASP A 63 127.497 -3.184 -12.205 1.00 3.12 C ATOM 974 CG ASP A 63 127.550 -2.677 -13.633 1.00 4.00 C ATOM 975 OD1 ASP A 63 126.916 -1.639 -13.918 1.00 4.66 O ATOM 976 OD2 ASP A 63 128.225 -3.318 -14.466 1.00 4.44 O ATOM 0 H ASP A 63 129.391 -2.029 -10.387 1.00 1.96 H new ATOM 0 HA ASP A 63 126.808 -1.256 -11.556 1.00 2.47 H new ATOM 0 HB2 ASP A 63 128.367 -3.812 -12.013 1.00 3.12 H new ATOM 0 HB3 ASP A 63 126.616 -3.813 -12.078 1.00 3.12 H new ATOM 981 N GLY A 64 127.757 -3.098 -9.017 1.00 1.43 N ATOM 982 CA GLY A 64 127.319 -3.611 -7.732 1.00 1.48 C ATOM 983 C GLY A 64 126.439 -2.629 -6.984 1.00 1.16 C ATOM 984 O GLY A 64 125.232 -2.838 -6.858 1.00 1.23 O ATOM 0 H GLY A 64 128.756 -3.194 -9.200 1.00 1.43 H new ATOM 0 HA2 GLY A 64 126.772 -4.542 -7.883 1.00 1.48 H new ATOM 0 HA3 GLY A 64 128.191 -3.849 -7.123 1.00 1.48 H new ATOM 988 N LYS A 65 127.044 -1.556 -6.487 1.00 0.97 N ATOM 989 CA LYS A 65 126.310 -0.536 -5.747 1.00 0.76 C ATOM 990 C LYS A 65 126.750 0.863 -6.171 1.00 0.79 C ATOM 991 O LYS A 65 127.938 1.185 -6.138 1.00 0.87 O ATOM 992 CB LYS A 65 126.519 -0.720 -4.241 1.00 0.71 C ATOM 993 CG LYS A 65 125.223 -0.803 -3.452 1.00 0.84 C ATOM 994 CD LYS A 65 124.626 -2.199 -3.508 1.00 0.67 C ATOM 995 CE LYS A 65 123.575 -2.310 -4.601 1.00 0.83 C ATOM 996 NZ LYS A 65 123.034 -3.692 -4.712 1.00 0.91 N ATOM 0 H LYS A 65 128.042 -1.370 -6.583 1.00 0.97 H new ATOM 0 HA LYS A 65 125.250 -0.647 -5.973 1.00 0.76 H new ATOM 0 HB2 LYS A 65 127.097 -1.629 -4.071 1.00 0.71 H new ATOM 0 HB3 LYS A 65 127.113 0.111 -3.861 1.00 0.71 H new ATOM 0 HG2 LYS A 65 125.409 -0.527 -2.414 1.00 0.84 H new ATOM 0 HG3 LYS A 65 124.507 -0.084 -3.849 1.00 0.84 H new ATOM 0 HD2 LYS A 65 125.417 -2.928 -3.686 1.00 0.67 H new ATOM 0 HD3 LYS A 65 124.178 -2.444 -2.545 1.00 0.67 H new ATOM 0 HE2 LYS A 65 122.760 -1.617 -4.393 1.00 0.83 H new ATOM 0 HE3 LYS A 65 124.010 -2.013 -5.555 1.00 0.83 H new ATOM 0 HZ1 LYS A 65 122.781 -3.887 -5.702 1.00 0.91 H new ATOM 0 HZ2 LYS A 65 123.755 -4.373 -4.398 1.00 0.91 H new ATOM 0 HZ3 LYS A 65 122.188 -3.783 -4.114 1.00 0.91 H new ATOM 1010 N ILE A 66 125.787 1.688 -6.574 1.00 0.80 N ATOM 1011 CA ILE A 66 126.080 3.050 -7.009 1.00 0.89 C ATOM 1012 C ILE A 66 125.056 4.040 -6.462 1.00 0.88 C ATOM 1013 O ILE A 66 124.036 4.306 -7.097 1.00 1.04 O ATOM 1014 CB ILE A 66 126.106 3.153 -8.545 1.00 1.07 C ATOM 1015 CG1 ILE A 66 124.964 2.338 -9.153 1.00 1.21 C ATOM 1016 CG2 ILE A 66 127.448 2.681 -9.085 1.00 1.57 C ATOM 1017 CD1 ILE A 66 125.341 0.905 -9.459 1.00 1.61 C ATOM 0 H ILE A 66 124.799 1.437 -6.608 1.00 0.80 H new ATOM 0 HA ILE A 66 127.065 3.301 -6.616 1.00 0.89 H new ATOM 0 HB ILE A 66 125.970 4.197 -8.826 1.00 1.07 H new ATOM 0 HG12 ILE A 66 124.118 2.344 -8.466 1.00 1.21 H new ATOM 0 HG13 ILE A 66 124.632 2.822 -10.071 1.00 1.21 H new ATOM 0 HG21 ILE A 66 127.451 2.760 -10.172 1.00 1.57 H new ATOM 0 HG22 ILE A 66 128.244 3.302 -8.674 1.00 1.57 H new ATOM 0 HG23 ILE A 66 127.612 1.643 -8.796 1.00 1.57 H new ATOM 0 HD11 ILE A 66 124.483 0.387 -9.888 1.00 1.61 H new ATOM 0 HD12 ILE A 66 126.167 0.890 -10.170 1.00 1.61 H new ATOM 0 HD13 ILE A 66 125.645 0.404 -8.540 1.00 1.61 H new ATOM 1029 N SER A 67 125.339 4.584 -5.282 1.00 0.85 N ATOM 1030 CA SER A 67 124.447 5.549 -4.644 1.00 0.87 C ATOM 1031 C SER A 67 124.791 5.702 -3.168 1.00 0.78 C ATOM 1032 O SER A 67 125.963 5.647 -2.781 1.00 0.75 O ATOM 1033 CB SER A 67 122.989 5.110 -4.797 1.00 0.92 C ATOM 1034 OG SER A 67 122.160 6.205 -5.147 1.00 1.70 O ATOM 0 H SER A 67 126.181 4.373 -4.747 1.00 0.85 H new ATOM 0 HA SER A 67 124.579 6.513 -5.136 1.00 0.87 H new ATOM 0 HB2 SER A 67 122.917 4.337 -5.562 1.00 0.92 H new ATOM 0 HB3 SER A 67 122.639 4.669 -3.864 1.00 0.92 H new ATOM 0 HG SER A 67 121.610 5.964 -5.922 1.00 1.70 H new ATOM 1040 N LYS A 68 123.770 5.884 -2.336 1.00 0.78 N ATOM 1041 CA LYS A 68 123.998 6.025 -0.909 1.00 0.77 C ATOM 1042 C LYS A 68 125.103 5.079 -0.492 1.00 0.67 C ATOM 1043 O LYS A 68 125.937 5.397 0.356 1.00 0.65 O ATOM 1044 CB LYS A 68 122.724 5.725 -0.121 1.00 0.84 C ATOM 1045 CG LYS A 68 122.932 4.726 1.006 1.00 1.25 C ATOM 1046 CD LYS A 68 123.928 5.245 2.030 1.00 0.86 C ATOM 1047 CE LYS A 68 123.243 6.052 3.118 1.00 1.19 C ATOM 1048 NZ LYS A 68 122.564 5.177 4.115 1.00 1.12 N ATOM 0 H LYS A 68 122.793 5.936 -2.623 1.00 0.78 H new ATOM 0 HA LYS A 68 124.290 7.053 -0.695 1.00 0.77 H new ATOM 0 HB2 LYS A 68 122.335 6.655 0.295 1.00 0.84 H new ATOM 0 HB3 LYS A 68 121.966 5.339 -0.803 1.00 0.84 H new ATOM 0 HG2 LYS A 68 121.979 4.522 1.494 1.00 1.25 H new ATOM 0 HG3 LYS A 68 123.289 3.781 0.596 1.00 1.25 H new ATOM 0 HD2 LYS A 68 124.460 4.406 2.479 1.00 0.86 H new ATOM 0 HD3 LYS A 68 124.673 5.865 1.532 1.00 0.86 H new ATOM 0 HE2 LYS A 68 123.979 6.676 3.625 1.00 1.19 H new ATOM 0 HE3 LYS A 68 122.512 6.723 2.667 1.00 1.19 H new ATOM 0 HZ1 LYS A 68 122.011 5.764 4.772 1.00 1.12 H new ATOM 0 HZ2 LYS A 68 121.930 4.517 3.622 1.00 1.12 H new ATOM 0 HZ3 LYS A 68 123.277 4.639 4.648 1.00 1.12 H new ATOM 1062 N GLU A 69 125.112 3.918 -1.126 1.00 0.64 N ATOM 1063 CA GLU A 69 126.128 2.914 -0.854 1.00 0.59 C ATOM 1064 C GLU A 69 127.499 3.534 -1.014 1.00 0.59 C ATOM 1065 O GLU A 69 128.326 3.502 -0.107 1.00 0.57 O ATOM 1066 CB GLU A 69 125.973 1.716 -1.792 1.00 0.62 C ATOM 1067 CG GLU A 69 126.027 2.088 -3.264 1.00 0.73 C ATOM 1068 CD GLU A 69 127.446 2.249 -3.772 1.00 1.50 C ATOM 1069 OE1 GLU A 69 128.374 1.738 -3.110 1.00 2.19 O ATOM 1070 OE2 GLU A 69 127.629 2.887 -4.829 1.00 2.13 O ATOM 0 H GLU A 69 124.428 3.647 -1.832 1.00 0.64 H new ATOM 0 HA GLU A 69 126.008 2.556 0.169 1.00 0.59 H new ATOM 0 HB2 GLU A 69 126.761 0.993 -1.579 1.00 0.62 H new ATOM 0 HB3 GLU A 69 125.023 1.223 -1.585 1.00 0.62 H new ATOM 0 HG2 GLU A 69 125.521 1.319 -3.848 1.00 0.73 H new ATOM 0 HG3 GLU A 69 125.481 3.018 -3.420 1.00 0.73 H new ATOM 1077 N GLU A 70 127.712 4.136 -2.164 1.00 0.65 N ATOM 1078 CA GLU A 70 128.965 4.809 -2.437 1.00 0.69 C ATOM 1079 C GLU A 70 129.104 5.972 -1.475 1.00 0.69 C ATOM 1080 O GLU A 70 130.207 6.372 -1.102 1.00 0.70 O ATOM 1081 CB GLU A 70 129.004 5.303 -3.883 1.00 0.80 C ATOM 1082 CG GLU A 70 128.189 6.564 -4.115 1.00 0.99 C ATOM 1083 CD GLU A 70 128.683 7.368 -5.302 1.00 1.26 C ATOM 1084 OE1 GLU A 70 129.909 7.387 -5.538 1.00 1.67 O ATOM 1085 OE2 GLU A 70 127.843 7.979 -5.996 1.00 1.85 O ATOM 0 H GLU A 70 127.034 4.174 -2.925 1.00 0.65 H new ATOM 0 HA GLU A 70 129.794 4.115 -2.301 1.00 0.69 H new ATOM 0 HB2 GLU A 70 130.039 5.492 -4.166 1.00 0.80 H new ATOM 0 HB3 GLU A 70 128.633 4.515 -4.538 1.00 0.80 H new ATOM 0 HG2 GLU A 70 127.145 6.293 -4.273 1.00 0.99 H new ATOM 0 HG3 GLU A 70 128.225 7.185 -3.220 1.00 0.99 H new ATOM 1092 N PHE A 71 127.954 6.488 -1.056 1.00 0.71 N ATOM 1093 CA PHE A 71 127.903 7.588 -0.113 1.00 0.75 C ATOM 1094 C PHE A 71 128.428 7.133 1.232 1.00 0.71 C ATOM 1095 O PHE A 71 129.369 7.706 1.776 1.00 0.74 O ATOM 1096 CB PHE A 71 126.468 8.091 0.033 1.00 0.80 C ATOM 1097 CG PHE A 71 126.369 9.578 0.220 1.00 0.87 C ATOM 1098 CD1 PHE A 71 126.930 10.444 -0.704 1.00 1.40 C ATOM 1099 CD2 PHE A 71 125.715 10.108 1.320 1.00 1.45 C ATOM 1100 CE1 PHE A 71 126.840 11.813 -0.535 1.00 1.46 C ATOM 1101 CE2 PHE A 71 125.622 11.476 1.495 1.00 1.57 C ATOM 1102 CZ PHE A 71 126.186 12.329 0.567 1.00 1.13 C ATOM 0 H PHE A 71 127.039 6.155 -1.361 1.00 0.71 H new ATOM 0 HA PHE A 71 128.525 8.402 -0.485 1.00 0.75 H new ATOM 0 HB2 PHE A 71 125.900 7.806 -0.852 1.00 0.80 H new ATOM 0 HB3 PHE A 71 126.002 7.594 0.884 1.00 0.80 H new ATOM 0 HD1 PHE A 71 127.444 10.045 -1.566 1.00 1.40 H new ATOM 0 HD2 PHE A 71 125.273 9.445 2.049 1.00 1.45 H new ATOM 0 HE1 PHE A 71 127.280 12.478 -1.263 1.00 1.46 H new ATOM 0 HE2 PHE A 71 125.109 11.877 2.356 1.00 1.57 H new ATOM 0 HZ PHE A 71 126.116 13.398 0.703 1.00 1.13 H new ATOM 1112 N LEU A 72 127.812 6.081 1.744 1.00 0.65 N ATOM 1113 CA LEU A 72 128.204 5.507 3.023 1.00 0.64 C ATOM 1114 C LEU A 72 129.457 4.656 2.855 1.00 0.58 C ATOM 1115 O LEU A 72 130.300 4.588 3.749 1.00 0.60 O ATOM 1116 CB LEU A 72 127.068 4.660 3.599 1.00 0.64 C ATOM 1117 CG LEU A 72 127.121 3.179 3.229 1.00 0.57 C ATOM 1118 CD1 LEU A 72 127.419 2.331 4.455 1.00 0.60 C ATOM 1119 CD2 LEU A 72 125.815 2.743 2.582 1.00 0.61 C ATOM 0 H LEU A 72 127.033 5.603 1.291 1.00 0.65 H new ATOM 0 HA LEU A 72 128.419 6.320 3.716 1.00 0.64 H new ATOM 0 HB2 LEU A 72 127.082 4.749 4.685 1.00 0.64 H new ATOM 0 HB3 LEU A 72 126.118 5.071 3.258 1.00 0.64 H new ATOM 0 HG LEU A 72 127.926 3.034 2.509 1.00 0.57 H new ATOM 0 HD11 LEU A 72 127.453 1.279 4.171 1.00 0.60 H new ATOM 0 HD12 LEU A 72 128.381 2.624 4.875 1.00 0.60 H new ATOM 0 HD13 LEU A 72 126.637 2.481 5.200 1.00 0.60 H new ATOM 0 HD21 LEU A 72 125.872 1.685 2.325 1.00 0.61 H new ATOM 0 HD22 LEU A 72 124.992 2.904 3.279 1.00 0.61 H new ATOM 0 HD23 LEU A 72 125.644 3.327 1.678 1.00 0.61 H new ATOM 1131 N ASN A 73 129.575 4.018 1.696 1.00 0.56 N ATOM 1132 CA ASN A 73 130.728 3.183 1.401 1.00 0.56 C ATOM 1133 C ASN A 73 131.943 4.052 1.115 1.00 0.55 C ATOM 1134 O ASN A 73 133.080 3.666 1.389 1.00 0.57 O ATOM 1135 CB ASN A 73 130.435 2.264 0.213 1.00 0.63 C ATOM 1136 CG ASN A 73 129.389 1.216 0.542 1.00 0.74 C ATOM 1137 OD1 ASN A 73 129.649 0.016 0.463 1.00 1.23 O ATOM 1138 ND2 ASN A 73 128.195 1.667 0.913 1.00 0.56 N ATOM 0 H ASN A 73 128.885 4.065 0.947 1.00 0.56 H new ATOM 0 HA ASN A 73 130.940 2.561 2.270 1.00 0.56 H new ATOM 0 HB2 ASN A 73 130.094 2.863 -0.631 1.00 0.63 H new ATOM 0 HB3 ASN A 73 131.356 1.770 -0.098 1.00 0.63 H new ATOM 0 HD21 ASN A 73 127.451 1.009 1.146 1.00 0.56 H new ATOM 0 HD22 ASN A 73 128.023 2.671 0.965 1.00 0.56 H new ATOM 1145 N ALA A 74 131.686 5.238 0.580 1.00 0.59 N ATOM 1146 CA ALA A 74 132.745 6.187 0.273 1.00 0.65 C ATOM 1147 C ALA A 74 132.799 7.273 1.339 1.00 0.68 C ATOM 1148 O ALA A 74 133.802 7.970 1.485 1.00 0.76 O ATOM 1149 CB ALA A 74 132.534 6.799 -1.104 1.00 0.77 C ATOM 0 H ALA A 74 130.748 5.566 0.349 1.00 0.59 H new ATOM 0 HA ALA A 74 133.697 5.657 0.266 1.00 0.65 H new ATOM 0 HB1 ALA A 74 133.336 7.506 -1.315 1.00 0.77 H new ATOM 0 HB2 ALA A 74 132.538 6.011 -1.857 1.00 0.77 H new ATOM 0 HB3 ALA A 74 131.576 7.319 -1.128 1.00 0.77 H new ATOM 1155 N ASN A 75 131.706 7.401 2.088 1.00 0.70 N ATOM 1156 CA ASN A 75 131.619 8.391 3.153 1.00 0.84 C ATOM 1157 C ASN A 75 132.843 8.318 4.051 1.00 0.82 C ATOM 1158 O ASN A 75 133.622 9.266 4.145 1.00 0.91 O ATOM 1159 CB ASN A 75 130.346 8.172 3.976 1.00 0.95 C ATOM 1160 CG ASN A 75 130.625 7.511 5.312 1.00 0.90 C ATOM 1161 OD1 ASN A 75 131.032 8.168 6.270 1.00 0.92 O ATOM 1162 ND2 ASN A 75 130.407 6.203 5.380 1.00 0.89 N ATOM 0 H ASN A 75 130.869 6.830 1.975 1.00 0.70 H new ATOM 0 HA ASN A 75 131.580 9.382 2.701 1.00 0.84 H new ATOM 0 HB2 ASN A 75 129.856 9.131 4.144 1.00 0.95 H new ATOM 0 HB3 ASN A 75 129.651 7.555 3.407 1.00 0.95 H new ATOM 0 HD21 ASN A 75 130.577 5.702 6.252 1.00 0.89 H new ATOM 0 HD22 ASN A 75 130.069 5.699 4.560 1.00 0.89 H new ATOM 1169 N ALA A 76 133.004 7.178 4.697 1.00 0.72 N ATOM 1170 CA ALA A 76 134.134 6.947 5.585 1.00 0.71 C ATOM 1171 C ALA A 76 135.384 6.636 4.782 1.00 0.63 C ATOM 1172 O ALA A 76 136.488 7.058 5.128 1.00 0.69 O ATOM 1173 CB ALA A 76 133.827 5.818 6.557 1.00 0.71 C ATOM 0 H ALA A 76 132.361 6.389 4.624 1.00 0.72 H new ATOM 0 HA ALA A 76 134.312 7.855 6.161 1.00 0.71 H new ATOM 0 HB1 ALA A 76 134.683 5.660 7.213 1.00 0.71 H new ATOM 0 HB2 ALA A 76 132.955 6.080 7.156 1.00 0.71 H new ATOM 0 HB3 ALA A 76 133.623 4.904 6.000 1.00 0.71 H new ATOM 1179 N GLU A 77 135.193 5.898 3.701 1.00 0.58 N ATOM 1180 CA GLU A 77 136.292 5.523 2.825 1.00 0.62 C ATOM 1181 C GLU A 77 136.944 6.766 2.236 1.00 0.73 C ATOM 1182 O GLU A 77 138.167 6.908 2.253 1.00 0.81 O ATOM 1183 CB GLU A 77 135.795 4.610 1.703 1.00 0.65 C ATOM 1184 CG GLU A 77 136.786 3.523 1.319 1.00 1.09 C ATOM 1185 CD GLU A 77 137.177 3.583 -0.145 1.00 1.79 C ATOM 1186 OE1 GLU A 77 136.395 3.098 -0.989 1.00 2.57 O ATOM 1187 OE2 GLU A 77 138.266 4.114 -0.447 1.00 2.38 O ATOM 0 H GLU A 77 134.282 5.545 3.407 1.00 0.58 H new ATOM 0 HA GLU A 77 137.032 4.981 3.413 1.00 0.62 H new ATOM 0 HB2 GLU A 77 134.859 4.144 2.013 1.00 0.65 H new ATOM 0 HB3 GLU A 77 135.574 5.216 0.824 1.00 0.65 H new ATOM 0 HG2 GLU A 77 137.681 3.618 1.935 1.00 1.09 H new ATOM 0 HG3 GLU A 77 136.352 2.547 1.536 1.00 1.09 H new ATOM 1194 N LEU A 78 136.116 7.670 1.724 1.00 0.80 N ATOM 1195 CA LEU A 78 136.607 8.909 1.138 1.00 0.98 C ATOM 1196 C LEU A 78 136.924 9.925 2.229 1.00 1.05 C ATOM 1197 O LEU A 78 137.713 10.848 2.025 1.00 1.21 O ATOM 1198 CB LEU A 78 135.575 9.487 0.168 1.00 1.07 C ATOM 1199 CG LEU A 78 134.520 10.391 0.807 1.00 1.10 C ATOM 1200 CD1 LEU A 78 135.121 11.742 1.162 1.00 1.30 C ATOM 1201 CD2 LEU A 78 133.330 10.563 -0.124 1.00 1.11 C ATOM 0 H LEU A 78 135.101 7.567 1.704 1.00 0.80 H new ATOM 0 HA LEU A 78 137.521 8.689 0.587 1.00 0.98 H new ATOM 0 HB2 LEU A 78 136.100 10.054 -0.601 1.00 1.07 H new ATOM 0 HB3 LEU A 78 135.069 8.662 -0.334 1.00 1.07 H new ATOM 0 HG LEU A 78 134.171 9.918 1.725 1.00 1.10 H new ATOM 0 HD11 LEU A 78 134.356 12.373 1.616 1.00 1.30 H new ATOM 0 HD12 LEU A 78 135.941 11.602 1.867 1.00 1.30 H new ATOM 0 HD13 LEU A 78 135.497 12.221 0.258 1.00 1.30 H new ATOM 0 HD21 LEU A 78 132.590 11.209 0.347 1.00 1.11 H new ATOM 0 HD22 LEU A 78 133.662 11.014 -1.059 1.00 1.11 H new ATOM 0 HD23 LEU A 78 132.884 9.590 -0.328 1.00 1.11 H new ATOM 1213 N LEU A 79 136.302 9.745 3.389 1.00 0.98 N ATOM 1214 CA LEU A 79 136.512 10.639 4.516 1.00 1.10 C ATOM 1215 C LEU A 79 137.633 10.129 5.414 1.00 1.05 C ATOM 1216 O LEU A 79 138.268 10.902 6.132 1.00 1.17 O ATOM 1217 CB LEU A 79 135.222 10.790 5.325 1.00 1.16 C ATOM 1218 CG LEU A 79 134.105 11.567 4.625 1.00 1.54 C ATOM 1219 CD1 LEU A 79 132.760 11.257 5.263 1.00 2.13 C ATOM 1220 CD2 LEU A 79 134.388 13.061 4.670 1.00 2.16 C ATOM 0 H LEU A 79 135.647 8.985 3.571 1.00 0.98 H new ATOM 0 HA LEU A 79 136.801 11.614 4.123 1.00 1.10 H new ATOM 0 HB2 LEU A 79 134.850 9.797 5.576 1.00 1.16 H new ATOM 0 HB3 LEU A 79 135.457 11.289 6.265 1.00 1.16 H new ATOM 0 HG LEU A 79 134.069 11.256 3.581 1.00 1.54 H new ATOM 0 HD11 LEU A 79 131.977 11.818 4.753 1.00 2.13 H new ATOM 0 HD12 LEU A 79 132.555 10.190 5.179 1.00 2.13 H new ATOM 0 HD13 LEU A 79 132.782 11.541 6.315 1.00 2.13 H new ATOM 0 HD21 LEU A 79 133.584 13.599 4.168 1.00 2.16 H new ATOM 0 HD22 LEU A 79 134.451 13.388 5.708 1.00 2.16 H new ATOM 0 HD23 LEU A 79 135.332 13.268 4.167 1.00 2.16 H new ATOM 1232 N CYS A 80 137.868 8.824 5.367 1.00 0.88 N ATOM 1233 CA CYS A 80 138.911 8.204 6.175 1.00 0.87 C ATOM 1234 C CYS A 80 140.250 8.905 5.969 1.00 0.96 C ATOM 1235 O CYS A 80 140.477 9.542 4.941 1.00 1.78 O ATOM 1236 CB CYS A 80 139.041 6.720 5.827 1.00 1.19 C ATOM 1237 SG CYS A 80 140.704 6.223 5.322 1.00 2.52 S ATOM 0 H CYS A 80 137.350 8.173 4.777 1.00 0.88 H new ATOM 0 HA CYS A 80 138.628 8.301 7.223 1.00 0.87 H new ATOM 0 HB2 CYS A 80 138.743 6.128 6.692 1.00 1.19 H new ATOM 0 HB3 CYS A 80 138.343 6.484 5.024 1.00 1.19 H new ATOM 0 HG CYS A 80 140.624 5.380 4.336 1.00 2.52 H new ATOM 1243 N GLN A 81 141.134 8.781 6.954 1.00 1.35 N ATOM 1244 CA GLN A 81 142.452 9.402 6.882 1.00 1.88 C ATOM 1245 C GLN A 81 142.437 10.788 7.519 1.00 1.73 C ATOM 1246 O GLN A 81 141.646 11.650 7.136 1.00 2.58 O ATOM 1247 CB GLN A 81 142.912 9.502 5.426 1.00 2.97 C ATOM 1248 CG GLN A 81 144.392 9.812 5.277 1.00 3.87 C ATOM 1249 CD GLN A 81 144.643 11.161 4.630 1.00 4.95 C ATOM 1250 OE1 GLN A 81 145.310 11.253 3.599 1.00 5.40 O ATOM 1251 NE2 GLN A 81 144.108 12.215 5.234 1.00 5.71 N ATOM 0 H GLN A 81 140.962 8.256 7.811 1.00 1.35 H new ATOM 0 HA GLN A 81 143.152 8.776 7.435 1.00 1.88 H new ATOM 0 HB2 GLN A 81 142.693 8.562 4.919 1.00 2.97 H new ATOM 0 HB3 GLN A 81 142.334 10.278 4.923 1.00 2.97 H new ATOM 0 HG2 GLN A 81 144.865 9.791 6.259 1.00 3.87 H new ATOM 0 HG3 GLN A 81 144.864 9.033 4.679 1.00 3.87 H new ATOM 0 HE21 GLN A 81 143.562 12.092 6.087 1.00 5.71 H new ATOM 0 HE22 GLN A 81 144.243 13.148 4.845 1.00 5.71 H new ATOM 1260 N LEU A 82 143.317 10.994 8.493 1.00 1.53 N ATOM 1261 CA LEU A 82 143.406 12.275 9.184 1.00 2.18 C ATOM 1262 C LEU A 82 143.833 12.082 10.636 1.00 2.50 C ATOM 1263 O LEU A 82 144.243 10.991 11.033 1.00 3.21 O ATOM 1264 CB LEU A 82 142.062 13.004 9.128 1.00 2.98 C ATOM 1265 CG LEU A 82 140.854 12.170 9.558 1.00 3.64 C ATOM 1266 CD1 LEU A 82 141.090 11.558 10.930 1.00 4.44 C ATOM 1267 CD2 LEU A 82 139.594 13.022 9.560 1.00 4.13 C ATOM 0 H LEU A 82 143.979 10.291 8.822 1.00 1.53 H new ATOM 0 HA LEU A 82 144.160 12.879 8.680 1.00 2.18 H new ATOM 0 HB2 LEU A 82 142.119 13.888 9.763 1.00 2.98 H new ATOM 0 HB3 LEU A 82 141.898 13.354 8.109 1.00 2.98 H new ATOM 0 HG LEU A 82 140.720 11.360 8.841 1.00 3.64 H new ATOM 0 HD11 LEU A 82 140.220 10.968 11.220 1.00 4.44 H new ATOM 0 HD12 LEU A 82 141.969 10.915 10.895 1.00 4.44 H new ATOM 0 HD13 LEU A 82 141.250 12.352 11.660 1.00 4.44 H new ATOM 0 HD21 LEU A 82 138.744 12.413 9.868 1.00 4.13 H new ATOM 0 HD22 LEU A 82 139.717 13.852 10.256 1.00 4.13 H new ATOM 0 HD23 LEU A 82 139.417 13.412 8.558 1.00 4.13 H new ATOM 1279 N LYS A 83 143.733 13.148 11.424 1.00 2.74 N ATOM 1280 CA LYS A 83 144.108 13.095 12.832 1.00 3.65 C ATOM 1281 C LYS A 83 142.882 13.240 13.728 1.00 4.48 C ATOM 1282 O LYS A 83 142.290 14.340 13.746 1.00 4.95 O ATOM 1283 CB LYS A 83 145.122 14.195 13.152 1.00 3.79 C ATOM 1284 CG LYS A 83 144.827 14.935 14.447 1.00 3.84 C ATOM 1285 CD LYS A 83 144.739 13.980 15.626 1.00 4.07 C ATOM 1286 CE LYS A 83 143.722 14.453 16.652 1.00 4.49 C ATOM 1287 NZ LYS A 83 142.337 14.039 16.293 1.00 4.72 N ATOM 1288 OXT LYS A 83 142.523 12.253 14.403 1.00 5.08 O ATOM 0 H LYS A 83 143.396 14.058 11.111 1.00 2.74 H new ATOM 0 HA LYS A 83 144.563 12.123 13.025 1.00 3.65 H new ATOM 0 HB2 LYS A 83 146.117 13.754 13.214 1.00 3.79 H new ATOM 0 HB3 LYS A 83 145.141 14.911 12.330 1.00 3.79 H new ATOM 0 HG2 LYS A 83 145.608 15.672 14.632 1.00 3.84 H new ATOM 0 HG3 LYS A 83 143.889 15.482 14.349 1.00 3.84 H new ATOM 0 HD2 LYS A 83 144.464 12.987 15.271 1.00 4.07 H new ATOM 0 HD3 LYS A 83 145.718 13.891 16.097 1.00 4.07 H new ATOM 0 HE2 LYS A 83 143.979 14.049 17.631 1.00 4.49 H new ATOM 0 HE3 LYS A 83 143.767 15.539 16.733 1.00 4.49 H new ATOM 0 HZ1 LYS A 83 141.703 14.214 17.098 1.00 4.72 H new ATOM 0 HZ2 LYS A 83 142.013 14.588 15.471 1.00 4.72 H new ATOM 0 HZ3 LYS A 83 142.327 13.026 16.058 1.00 4.72 H new TER 1302 LYS A 83 END