USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) HEADER PHOTOSYNTHESIS,MEMBRANE PROTEIN 02-NOV-06 2NRG TITLE SOLUTION STRUCTURE OF PUFX FROM RHODOBACTER SPHAEROIDES TITLE 2 (MINIMISED AVERAGE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTRINSIC MEMBRANE PROTEIN PUFX; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; SOURCE 3 ORGANISM_TAXID: 1063; SOURCE 4 GENE: PUFX; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET9A KEYWDS BENT TRANSMEMBRANE HELIX, PHOTOSYNTHESIS,MEMBRANE PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.B.TUNNICLIFFE,E.C.RATCLIFFE,C.N.HUNTER,M.P.WILLIAMSON REVDAT 3 24-FEB-09 2NRG 1 VERSN REVDAT 2 02-JAN-07 2NRG 1 JRNL REVDAT 1 26-DEC-06 2NRG 0 JRNL AUTH R.B.TUNNICLIFFE,E.C.RATCLIFFE,C.N.HUNTER, JRNL AUTH 2 M.P.WILLIAMSON JRNL TITL THE SOLUTION STRUCTURE OF THE PUFX POLYPEPTIDE JRNL TITL 2 FROM RHODOBACTER SPHAEROIDES. JRNL REF FEBS LETT. V. 580 6967 2006 JRNL REFN ISSN 0014-5793 JRNL PMID 17161397 JRNL DOI 10.1016/J.FEBSLET.2006.11.065 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER, A.T. ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2NRG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-06. REMARK 100 THE RCSB ID CODE IS RCSB040211. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1MM PUFX U-15N, 50% CD3OH, REMARK 210 50% CDCL3; 1MM PUFX U-15N, U- REMARK 210 13C, 50% CD3OH, 50% CDCL3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNHA, TOCSY-HSQC, 4D_13C/15N- REMARK 210 SEPARATED_NOESY, HNCO, HN(CA) REMARK 210 CO, HNCA, CBCA(CO)NH REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2004, CNS 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMISED AVERAGE STRUCTURE 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: 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 LYS A 4 175.02 -50.80 REMARK 500 THR A 5 -65.85 69.48 REMARK 500 ASN A 12 -97.80 -57.28 REMARK 500 THR A 13 55.35 33.60 REMARK 500 TRP A 33 -70.99 -90.24 REMARK 500 MET A 54 44.89 -172.16 REMARK 500 LEU A 55 -60.27 -153.71 REMARK 500 GLN A 61 67.11 68.87 REMARK 500 PRO A 63 -73.02 -62.94 REMARK 500 ALA A 64 49.89 -149.41 REMARK 500 PRO A 65 -65.71 -96.40 REMARK 500 ILE A 67 -127.64 -144.39 REMARK 500 THR A 68 28.87 -160.04 REMARK 500 LEU A 71 -72.51 65.66 REMARK 500 GLU A 72 -174.84 -179.64 REMARK 500 GLU A 76 33.02 -98.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2ITA RELATED DB: PDB REMARK 900 ENSEMBLE DBREF 2NRG A 1 82 UNP P13402 PUFX_RHOS4 1 82 SEQRES 1 A 82 MET ALA ASP LYS THR ILE PHE ASN ASP HIS LEU ASN THR SEQRES 2 A 82 ASN PRO LYS THR ASN LEU ARG LEU TRP VAL ALA PHE GLN SEQRES 3 A 82 MET MET LYS GLY ALA GLY TRP ALA GLY GLY VAL PHE PHE SEQRES 4 A 82 GLY THR LEU LEU LEU ILE GLY PHE PHE ARG VAL VAL GLY SEQRES 5 A 82 ARG MET LEU PRO ILE GLN GLU ASN GLN ALA PRO ALA PRO SEQRES 6 A 82 ASN ILE THR GLY ALA LEU GLU THR GLY ILE GLU LEU ILE SEQRES 7 A 82 LYS HIS LEU VAL HELIX 1 1 THR A 5 ASP A 9 5 5 HELIX 2 2 ASN A 14 MET A 28 1 15 HELIX 3 3 MET A 28 TRP A 33 1 6 HELIX 4 4 TRP A 33 MET A 54 1 22 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 60 ASN : amide:sc= -1.02 K(o=-1.3,f=-2.4!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.32 X(o=-1.3,f=-1.6) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 177:sc= -0.533 (180deg=-0.544) USER MOD Set 2.2: A 14 ASN : amide:sc= -0.129 K(o=-0.66,f=-2.2!) USER MOD Set 3.1: A 1 MET N :NH3+ -157:sc= -0.417 (180deg=-1.91!) USER MOD Set 3.2: A 13 THR OG1 : rot 140:sc= 0.955 USER MOD Single : A 1 MET CE :methyl -104:sc= -0.39 (180deg=-1.34) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 8 ASN : amide:sc= -1.77 K(o=-1.8,f=-8.8!) USER MOD Single : A 10 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.27) USER MOD Single : A 12 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.61) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -1.13 (180deg=-1.39) USER MOD Single : A 17 THR OG1 : rot -11:sc= -0.758! USER MOD Single : A 18 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.7!) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.84 F(o=-3.2,f=-1.8) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -146:sc= -0.379 (180deg=-1.65!) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0.823 (180deg=0.525) USER MOD Single : A 41 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 54 MET CE :methyl -106:sc= -0.0655 (180deg=-0.373) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.36) USER MOD Single : A 68 THR OG1 : rot -117:sc= -3.87 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.858 0.664 7.473 1.00 15.42 N ATOM 2 CA MET A 1 29.608 1.940 7.618 1.00 14.92 C ATOM 3 C MET A 1 30.602 2.141 6.476 1.00 13.91 C ATOM 4 O MET A 1 31.063 3.256 6.235 1.00 13.46 O ATOM 5 CB MET A 1 30.343 1.919 8.960 1.00 15.43 C ATOM 6 CG MET A 1 30.583 3.302 9.543 1.00 15.85 C ATOM 7 SD MET A 1 29.050 4.194 9.869 1.00 16.62 S ATOM 8 CE MET A 1 28.987 5.290 8.454 1.00 16.62 C ATOM 0 H1 MET A 1 27.962 0.727 7.997 1.00 15.42 H new ATOM 0 H2 MET A 1 28.659 0.490 6.467 1.00 15.42 H new ATOM 0 H3 MET A 1 29.428 -0.119 7.854 1.00 15.42 H new ATOM 0 HA MET A 1 28.904 2.771 7.582 1.00 14.92 H new ATOM 0 HB2 MET A 1 29.766 1.329 9.672 1.00 15.43 H new ATOM 0 HB3 MET A 1 31.302 1.416 8.832 1.00 15.43 H new ATOM 0 HG2 MET A 1 31.148 3.208 10.470 1.00 15.85 H new ATOM 0 HG3 MET A 1 31.196 3.882 8.853 1.00 15.85 H new ATOM 0 HE1 MET A 1 29.270 6.297 8.761 1.00 16.62 H new ATOM 0 HE2 MET A 1 29.678 4.936 7.689 1.00 16.62 H new ATOM 0 HE3 MET A 1 27.975 5.305 8.050 1.00 16.62 H new ATOM 20 N ALA A 2 30.931 1.058 5.775 1.00 13.71 N ATOM 21 CA ALA A 2 31.871 1.128 4.662 1.00 12.92 C ATOM 22 C ALA A 2 31.173 0.855 3.333 1.00 12.87 C ATOM 23 O ALA A 2 30.481 -0.151 3.180 1.00 13.49 O ATOM 24 CB ALA A 2 33.012 0.144 4.872 1.00 12.88 C ATOM 0 H ALA A 2 30.561 0.125 5.958 1.00 13.71 H new ATOM 0 HA ALA A 2 32.278 2.139 4.627 1.00 12.92 H new ATOM 0 HB1 ALA A 2 33.706 0.207 4.034 1.00 12.88 H new ATOM 0 HB2 ALA A 2 33.536 0.387 5.796 1.00 12.88 H new ATOM 0 HB3 ALA A 2 32.612 -0.868 4.937 1.00 12.88 H new ATOM 30 N ASP A 3 31.360 1.758 2.376 1.00 12.31 N ATOM 31 CA ASP A 3 30.747 1.614 1.060 1.00 12.43 C ATOM 32 C ASP A 3 31.777 1.182 0.021 1.00 11.94 C ATOM 33 O ASP A 3 32.978 1.170 0.290 1.00 11.69 O ATOM 34 CB ASP A 3 30.096 2.931 0.632 1.00 12.93 C ATOM 35 CG ASP A 3 28.732 3.132 1.262 1.00 13.38 C ATOM 36 OD1 ASP A 3 27.799 2.379 0.911 1.00 13.49 O ATOM 37 OD2 ASP A 3 28.596 4.043 2.106 1.00 13.78 O ATOM 0 H ASP A 3 31.930 2.596 2.487 1.00 12.31 H new ATOM 0 HA ASP A 3 29.981 0.841 1.127 1.00 12.43 H new ATOM 0 HB2 ASP A 3 30.746 3.761 0.907 1.00 12.93 H new ATOM 0 HB3 ASP A 3 29.998 2.949 -0.453 1.00 12.93 H new ATOM 42 N LYS A 4 31.297 0.828 -1.170 1.00 12.01 N ATOM 43 CA LYS A 4 32.171 0.393 -2.255 1.00 11.81 C ATOM 44 C LYS A 4 33.304 1.389 -2.475 1.00 10.98 C ATOM 45 O LYS A 4 33.346 2.443 -1.841 1.00 10.68 O ATOM 46 CB LYS A 4 31.365 0.217 -3.546 1.00 12.35 C ATOM 47 CG LYS A 4 31.553 -1.144 -4.198 1.00 13.02 C ATOM 48 CD LYS A 4 30.378 -2.067 -3.913 1.00 13.68 C ATOM 49 CE LYS A 4 30.207 -2.307 -2.421 1.00 14.34 C ATOM 50 NZ LYS A 4 31.356 -3.057 -1.843 1.00 14.79 N ATOM 0 H LYS A 4 30.305 0.834 -1.407 1.00 12.01 H new ATOM 0 HA LYS A 4 32.608 -0.566 -1.976 1.00 11.81 H new ATOM 0 HB2 LYS A 4 30.307 0.363 -3.327 1.00 12.35 H new ATOM 0 HB3 LYS A 4 31.654 0.993 -4.254 1.00 12.35 H new ATOM 0 HG2 LYS A 4 31.666 -1.020 -5.275 1.00 13.02 H new ATOM 0 HG3 LYS A 4 32.472 -1.600 -3.831 1.00 13.02 H new ATOM 0 HD2 LYS A 4 29.465 -1.632 -4.320 1.00 13.68 H new ATOM 0 HD3 LYS A 4 30.531 -3.019 -4.421 1.00 13.68 H new ATOM 0 HE2 LYS A 4 30.104 -1.350 -1.909 1.00 14.34 H new ATOM 0 HE3 LYS A 4 29.286 -2.863 -2.246 1.00 14.34 H new ATOM 0 HZ1 LYS A 4 31.225 -3.156 -0.816 1.00 14.79 H new ATOM 0 HZ2 LYS A 4 31.409 -4.000 -2.277 1.00 14.79 H new ATOM 0 HZ3 LYS A 4 32.238 -2.540 -2.031 1.00 14.79 H new ATOM 64 N THR A 5 34.225 1.047 -3.372 1.00 10.81 N ATOM 65 CA THR A 5 35.366 1.910 -3.666 1.00 10.24 C ATOM 66 C THR A 5 36.321 1.947 -2.478 1.00 9.49 C ATOM 67 O THR A 5 37.452 1.468 -2.562 1.00 9.42 O ATOM 68 CB THR A 5 34.896 3.327 -4.008 1.00 10.51 C ATOM 69 OG1 THR A 5 33.535 3.324 -4.400 1.00 10.94 O ATOM 70 CG2 THR A 5 35.693 3.967 -5.123 1.00 10.79 C ATOM 0 H THR A 5 34.204 0.179 -3.908 1.00 10.81 H new ATOM 0 HA THR A 5 35.892 1.501 -4.529 1.00 10.24 H new ATOM 0 HB THR A 5 35.042 3.908 -3.097 1.00 10.51 H new ATOM 0 HG1 THR A 5 33.254 4.238 -4.612 1.00 10.94 H new ATOM 0 HG21 THR A 5 35.309 4.969 -5.316 1.00 10.79 H new ATOM 0 HG22 THR A 5 36.741 4.030 -4.831 1.00 10.79 H new ATOM 0 HG23 THR A 5 35.604 3.364 -6.027 1.00 10.79 H new ATOM 78 N ILE A 6 35.854 2.511 -1.369 1.00 9.19 N ATOM 79 CA ILE A 6 36.658 2.601 -0.158 1.00 8.73 C ATOM 80 C ILE A 6 36.461 1.372 0.731 1.00 7.86 C ATOM 81 O ILE A 6 37.055 1.273 1.805 1.00 7.93 O ATOM 82 CB ILE A 6 36.312 3.866 0.651 1.00 9.32 C ATOM 83 CG1 ILE A 6 34.823 3.883 1.001 1.00 9.84 C ATOM 84 CG2 ILE A 6 36.693 5.115 -0.131 1.00 9.46 C ATOM 85 CD1 ILE A 6 34.528 4.478 2.360 1.00 10.46 C ATOM 0 H ILE A 6 34.920 2.913 -1.285 1.00 9.19 H new ATOM 0 HA ILE A 6 37.700 2.652 -0.474 1.00 8.73 H new ATOM 0 HB ILE A 6 36.883 3.854 1.579 1.00 9.32 H new ATOM 0 HG12 ILE A 6 34.286 4.450 0.241 1.00 9.84 H new ATOM 0 HG13 ILE A 6 34.439 2.863 0.969 1.00 9.84 H new ATOM 0 HG21 ILE A 6 36.443 6.001 0.453 1.00 9.46 H new ATOM 0 HG22 ILE A 6 37.764 5.105 -0.334 1.00 9.46 H new ATOM 0 HG23 ILE A 6 36.146 5.135 -1.073 1.00 9.46 H new ATOM 0 HD11 ILE A 6 33.453 4.457 2.541 1.00 10.46 H new ATOM 0 HD12 ILE A 6 35.037 3.897 3.130 1.00 10.46 H new ATOM 0 HD13 ILE A 6 34.881 5.509 2.390 1.00 10.46 H new ATOM 97 N PHE A 7 35.626 0.437 0.277 1.00 7.31 N ATOM 98 CA PHE A 7 35.357 -0.782 1.034 1.00 6.74 C ATOM 99 C PHE A 7 36.626 -1.617 1.208 1.00 6.94 C ATOM 100 O PHE A 7 36.685 -2.501 2.063 1.00 7.15 O ATOM 101 CB PHE A 7 34.266 -1.609 0.339 1.00 6.49 C ATOM 102 CG PHE A 7 34.758 -2.427 -0.825 1.00 6.54 C ATOM 103 CD1 PHE A 7 35.677 -1.903 -1.722 1.00 6.86 C ATOM 104 CD2 PHE A 7 34.301 -3.720 -1.020 1.00 6.70 C ATOM 105 CE1 PHE A 7 36.129 -2.655 -2.790 1.00 7.32 C ATOM 106 CE2 PHE A 7 34.749 -4.476 -2.086 1.00 7.16 C ATOM 107 CZ PHE A 7 35.665 -3.943 -2.972 1.00 7.46 C ATOM 0 H PHE A 7 35.126 0.502 -0.610 1.00 7.31 H new ATOM 0 HA PHE A 7 35.006 -0.493 2.025 1.00 6.74 H new ATOM 0 HB2 PHE A 7 33.810 -2.276 1.071 1.00 6.49 H new ATOM 0 HB3 PHE A 7 33.483 -0.936 -0.010 1.00 6.49 H new ATOM 0 HD1 PHE A 7 36.043 -0.896 -1.584 1.00 6.86 H new ATOM 0 HD2 PHE A 7 33.586 -4.142 -0.330 1.00 6.70 H new ATOM 0 HE1 PHE A 7 36.845 -2.236 -3.482 1.00 7.32 H new ATOM 0 HE2 PHE A 7 34.383 -5.483 -2.226 1.00 7.16 H new ATOM 0 HZ PHE A 7 36.018 -4.532 -3.805 1.00 7.46 H new ATOM 117 N ASN A 8 37.640 -1.333 0.391 1.00 7.22 N ATOM 118 CA ASN A 8 38.907 -2.057 0.453 1.00 7.75 C ATOM 119 C ASN A 8 39.429 -2.151 1.886 1.00 8.16 C ATOM 120 O ASN A 8 40.167 -3.076 2.226 1.00 8.46 O ATOM 121 CB ASN A 8 39.949 -1.373 -0.434 1.00 8.29 C ATOM 122 CG ASN A 8 40.114 0.097 -0.101 1.00 8.66 C ATOM 123 OD1 ASN A 8 39.226 0.716 0.486 1.00 8.93 O ATOM 124 ND2 ASN A 8 41.255 0.665 -0.474 1.00 8.96 N ATOM 0 H ASN A 8 37.607 -0.605 -0.323 1.00 7.22 H new ATOM 0 HA ASN A 8 38.729 -3.069 0.090 1.00 7.75 H new ATOM 0 HB2 ASN A 8 40.908 -1.879 -0.320 1.00 8.29 H new ATOM 0 HB3 ASN A 8 39.657 -1.476 -1.479 1.00 8.29 H new ATOM 0 HD21 ASN A 8 41.422 1.652 -0.276 1.00 8.96 H new ATOM 0 HD22 ASN A 8 41.964 0.115 -0.958 1.00 8.96 H new ATOM 131 N ASP A 9 39.044 -1.189 2.721 1.00 8.46 N ATOM 132 CA ASP A 9 39.476 -1.165 4.117 1.00 9.12 C ATOM 133 C ASP A 9 39.310 -2.535 4.771 1.00 9.35 C ATOM 134 O ASP A 9 38.301 -3.211 4.570 1.00 9.45 O ATOM 135 CB ASP A 9 38.682 -0.116 4.898 1.00 9.50 C ATOM 136 CG ASP A 9 39.192 1.292 4.659 1.00 10.09 C ATOM 137 OD1 ASP A 9 39.556 1.603 3.506 1.00 10.34 O ATOM 138 OD2 ASP A 9 39.227 2.082 5.626 1.00 10.53 O ATOM 0 H ASP A 9 38.434 -0.416 2.456 1.00 8.46 H new ATOM 0 HA ASP A 9 40.534 -0.904 4.136 1.00 9.12 H new ATOM 0 HB2 ASP A 9 37.632 -0.172 4.612 1.00 9.50 H new ATOM 0 HB3 ASP A 9 38.735 -0.343 5.963 1.00 9.50 H new ATOM 143 N HIS A 10 40.308 -2.937 5.553 1.00 9.72 N ATOM 144 CA HIS A 10 40.277 -4.228 6.236 1.00 10.25 C ATOM 145 C HIS A 10 38.982 -4.404 7.024 1.00 10.32 C ATOM 146 O HIS A 10 38.481 -5.519 7.172 1.00 10.45 O ATOM 147 CB HIS A 10 41.481 -4.368 7.174 1.00 10.89 C ATOM 148 CG HIS A 10 41.821 -3.109 7.912 1.00 11.43 C ATOM 149 ND1 HIS A 10 41.122 -2.672 9.017 1.00 11.80 N ATOM 150 CD2 HIS A 10 42.794 -2.192 7.697 1.00 11.90 C ATOM 151 CE1 HIS A 10 41.649 -1.540 9.450 1.00 12.44 C ATOM 152 NE2 HIS A 10 42.665 -1.228 8.667 1.00 12.50 N ATOM 0 H HIS A 10 41.149 -2.387 5.730 1.00 9.72 H new ATOM 0 HA HIS A 10 40.325 -5.007 5.475 1.00 10.25 H new ATOM 0 HB2 HIS A 10 41.277 -5.158 7.897 1.00 10.89 H new ATOM 0 HB3 HIS A 10 42.348 -4.683 6.593 1.00 10.89 H new ATOM 0 HD2 HIS A 10 43.533 -2.214 6.910 1.00 11.90 H new ATOM 0 HE1 HIS A 10 41.307 -0.968 10.300 1.00 12.44 H new ATOM 0 HE2 HIS A 10 43.258 -0.404 8.766 1.00 12.50 H new ATOM 161 N LEU A 11 38.442 -3.297 7.523 1.00 10.47 N ATOM 162 CA LEU A 11 37.203 -3.333 8.291 1.00 10.83 C ATOM 163 C LEU A 11 36.041 -3.796 7.417 1.00 10.65 C ATOM 164 O LEU A 11 35.783 -3.225 6.358 1.00 10.72 O ATOM 165 CB LEU A 11 36.901 -1.951 8.874 1.00 11.59 C ATOM 166 CG LEU A 11 36.867 -0.810 7.852 1.00 12.07 C ATOM 167 CD1 LEU A 11 35.455 -0.262 7.707 1.00 12.42 C ATOM 168 CD2 LEU A 11 37.830 0.298 8.253 1.00 12.71 C ATOM 0 H LEU A 11 38.842 -2.366 7.410 1.00 10.47 H new ATOM 0 HA LEU A 11 37.327 -4.043 9.108 1.00 10.83 H new ATOM 0 HB2 LEU A 11 35.938 -1.991 9.384 1.00 11.59 H new ATOM 0 HB3 LEU A 11 37.652 -1.720 9.629 1.00 11.59 H new ATOM 0 HG LEU A 11 37.182 -1.207 6.887 1.00 12.07 H new ATOM 0 HD11 LEU A 11 35.452 0.547 6.977 1.00 12.42 H new ATOM 0 HD12 LEU A 11 34.789 -1.057 7.371 1.00 12.42 H new ATOM 0 HD13 LEU A 11 35.111 0.116 8.670 1.00 12.42 H new ATOM 0 HD21 LEU A 11 37.791 1.099 7.515 1.00 12.71 H new ATOM 0 HD22 LEU A 11 37.547 0.691 9.229 1.00 12.71 H new ATOM 0 HD23 LEU A 11 38.843 -0.101 8.303 1.00 12.71 H new ATOM 180 N ASN A 12 35.344 -4.836 7.866 1.00 10.67 N ATOM 181 CA ASN A 12 34.212 -5.376 7.120 1.00 10.77 C ATOM 182 C ASN A 12 33.155 -4.292 6.876 1.00 10.25 C ATOM 183 O ASN A 12 33.287 -3.499 5.944 1.00 10.38 O ATOM 184 CB ASN A 12 33.613 -6.576 7.865 1.00 11.33 C ATOM 185 CG ASN A 12 32.348 -7.099 7.210 1.00 12.01 C ATOM 186 OD1 ASN A 12 32.339 -7.427 6.023 1.00 12.19 O ATOM 187 ND2 ASN A 12 31.271 -7.180 7.983 1.00 12.57 N ATOM 0 H ASN A 12 35.543 -5.321 8.741 1.00 10.67 H new ATOM 0 HA ASN A 12 34.565 -5.718 6.147 1.00 10.77 H new ATOM 0 HB2 ASN A 12 34.352 -7.376 7.910 1.00 11.33 H new ATOM 0 HB3 ASN A 12 33.393 -6.287 8.893 1.00 11.33 H new ATOM 0 HD21 ASN A 12 30.392 -7.525 7.598 1.00 12.57 H new ATOM 0 HD22 ASN A 12 31.323 -6.897 8.962 1.00 12.57 H new ATOM 194 N THR A 13 32.114 -4.261 7.717 1.00 9.88 N ATOM 195 CA THR A 13 31.036 -3.274 7.597 1.00 9.60 C ATOM 196 C THR A 13 30.760 -2.907 6.136 1.00 8.78 C ATOM 197 O THR A 13 30.805 -1.738 5.754 1.00 8.60 O ATOM 198 CB THR A 13 31.379 -2.023 8.415 1.00 10.09 C ATOM 199 OG1 THR A 13 30.244 -1.191 8.554 1.00 10.29 O ATOM 200 CG2 THR A 13 32.492 -1.188 7.818 1.00 10.53 C ATOM 0 H THR A 13 31.996 -4.913 8.492 1.00 9.88 H new ATOM 0 HA THR A 13 30.125 -3.722 7.994 1.00 9.60 H new ATOM 0 HB THR A 13 31.718 -2.400 9.380 1.00 10.09 H new ATOM 0 HG1 THR A 13 30.216 -0.825 9.463 1.00 10.29 H new ATOM 0 HG21 THR A 13 32.677 -0.321 8.453 1.00 10.53 H new ATOM 0 HG22 THR A 13 33.400 -1.788 7.749 1.00 10.53 H new ATOM 0 HG23 THR A 13 32.202 -0.853 6.822 1.00 10.53 H new ATOM 208 N ASN A 14 30.485 -3.924 5.324 1.00 8.53 N ATOM 209 CA ASN A 14 30.214 -3.729 3.903 1.00 7.96 C ATOM 210 C ASN A 14 28.744 -3.387 3.612 1.00 7.97 C ATOM 211 O ASN A 14 28.446 -2.805 2.569 1.00 7.30 O ATOM 212 CB ASN A 14 30.613 -4.980 3.120 1.00 7.92 C ATOM 213 CG ASN A 14 31.086 -4.656 1.716 1.00 7.67 C ATOM 214 OD1 ASN A 14 32.079 -3.953 1.530 1.00 7.91 O ATOM 215 ND2 ASN A 14 30.373 -5.167 0.720 1.00 7.51 N ATOM 0 H ASN A 14 30.444 -4.897 5.628 1.00 8.53 H new ATOM 0 HA ASN A 14 30.811 -2.875 3.584 1.00 7.96 H new ATOM 0 HB2 ASN A 14 31.405 -5.504 3.656 1.00 7.92 H new ATOM 0 HB3 ASN A 14 29.762 -5.659 3.066 1.00 7.92 H new ATOM 0 HD21 ASN A 14 30.641 -4.982 -0.247 1.00 7.51 H new ATOM 0 HD22 ASN A 14 29.557 -5.745 0.921 1.00 7.51 H new ATOM 222 N PRO A 15 27.795 -3.745 4.504 1.00 8.85 N ATOM 223 CA PRO A 15 26.369 -3.463 4.283 1.00 9.08 C ATOM 224 C PRO A 15 26.097 -2.018 3.865 1.00 8.37 C ATOM 225 O PRO A 15 25.047 -1.721 3.296 1.00 8.22 O ATOM 226 CB PRO A 15 25.740 -3.755 5.644 1.00 10.30 C ATOM 227 CG PRO A 15 26.624 -4.789 6.244 1.00 10.75 C ATOM 228 CD PRO A 15 28.016 -4.458 5.779 1.00 9.80 C ATOM 0 HA PRO A 15 25.965 -4.061 3.466 1.00 9.08 H new ATOM 0 HB2 PRO A 15 25.699 -2.859 6.263 1.00 10.30 H new ATOM 0 HB3 PRO A 15 24.717 -4.118 5.540 1.00 10.30 H new ATOM 0 HG2 PRO A 15 26.561 -4.774 7.332 1.00 10.75 H new ATOM 0 HG3 PRO A 15 26.331 -5.788 5.922 1.00 10.75 H new ATOM 0 HD2 PRO A 15 28.542 -3.834 6.501 1.00 9.80 H new ATOM 0 HD3 PRO A 15 28.616 -5.357 5.637 1.00 9.80 H new ATOM 236 N LYS A 16 27.038 -1.121 4.148 1.00 8.08 N ATOM 237 CA LYS A 16 26.880 0.288 3.794 1.00 7.65 C ATOM 238 C LYS A 16 26.462 0.450 2.334 1.00 6.57 C ATOM 239 O LYS A 16 25.674 1.327 2.010 1.00 6.32 O ATOM 240 CB LYS A 16 28.182 1.055 4.045 1.00 7.88 C ATOM 241 CG LYS A 16 27.992 2.354 4.818 1.00 8.59 C ATOM 242 CD LYS A 16 26.946 3.250 4.171 1.00 8.44 C ATOM 243 CE LYS A 16 25.713 3.400 5.050 1.00 8.97 C ATOM 244 NZ LYS A 16 24.461 3.078 4.311 1.00 9.41 N ATOM 0 H LYS A 16 27.915 -1.343 4.620 1.00 8.08 H new ATOM 0 HA LYS A 16 26.093 0.699 4.426 1.00 7.65 H new ATOM 0 HB2 LYS A 16 28.870 0.413 4.595 1.00 7.88 H new ATOM 0 HB3 LYS A 16 28.651 1.279 3.087 1.00 7.88 H new ATOM 0 HG2 LYS A 16 27.693 2.127 5.841 1.00 8.59 H new ATOM 0 HG3 LYS A 16 28.942 2.886 4.874 1.00 8.59 H new ATOM 0 HD2 LYS A 16 27.377 4.232 3.978 1.00 8.44 H new ATOM 0 HD3 LYS A 16 26.657 2.834 3.206 1.00 8.44 H new ATOM 0 HE2 LYS A 16 25.802 2.744 5.916 1.00 8.97 H new ATOM 0 HE3 LYS A 16 25.659 4.421 5.428 1.00 8.97 H new ATOM 0 HZ1 LYS A 16 23.639 3.383 4.871 1.00 9.41 H new ATOM 0 HZ2 LYS A 16 24.461 3.573 3.396 1.00 9.41 H new ATOM 0 HZ3 LYS A 16 24.408 2.052 4.149 1.00 9.41 H new ATOM 258 N THR A 17 27.001 -0.387 1.456 1.00 6.09 N ATOM 259 CA THR A 17 26.671 -0.312 0.037 1.00 5.30 C ATOM 260 C THR A 17 25.515 -1.243 -0.322 1.00 5.38 C ATOM 261 O THR A 17 24.518 -0.819 -0.906 1.00 5.08 O ATOM 262 CB THR A 17 27.902 -0.645 -0.809 1.00 5.11 C ATOM 263 OG1 THR A 17 28.863 0.388 -0.709 1.00 5.28 O ATOM 264 CG2 THR A 17 27.598 -0.842 -2.279 1.00 4.83 C ATOM 0 H THR A 17 27.665 -1.122 1.699 1.00 6.09 H new ATOM 0 HA THR A 17 26.353 0.708 -0.178 1.00 5.30 H new ATOM 0 HB THR A 17 28.277 -1.587 -0.409 1.00 5.11 H new ATOM 0 HG1 THR A 17 28.463 1.165 -0.266 1.00 5.28 H new ATOM 0 HG21 THR A 17 28.519 -1.075 -2.813 1.00 4.83 H new ATOM 0 HG22 THR A 17 26.892 -1.664 -2.398 1.00 4.83 H new ATOM 0 HG23 THR A 17 27.163 0.071 -2.686 1.00 4.83 H new ATOM 272 N ASN A 18 25.678 -2.518 0.007 1.00 6.07 N ATOM 273 CA ASN A 18 24.677 -3.535 -0.298 1.00 6.58 C ATOM 274 C ASN A 18 23.290 -3.172 0.228 1.00 6.67 C ATOM 275 O ASN A 18 22.301 -3.256 -0.500 1.00 6.48 O ATOM 276 CB ASN A 18 25.106 -4.879 0.287 1.00 7.65 C ATOM 277 CG ASN A 18 25.831 -5.747 -0.723 1.00 8.17 C ATOM 278 OD1 ASN A 18 25.625 -5.619 -1.930 1.00 8.34 O ATOM 279 ND2 ASN A 18 26.685 -6.637 -0.232 1.00 8.69 N ATOM 0 H ASN A 18 26.502 -2.876 0.490 1.00 6.07 H new ATOM 0 HA ASN A 18 24.609 -3.598 -1.384 1.00 6.58 H new ATOM 0 HB2 ASN A 18 25.755 -4.707 1.146 1.00 7.65 H new ATOM 0 HB3 ASN A 18 24.227 -5.410 0.653 1.00 7.65 H new ATOM 0 HD21 ASN A 18 27.202 -7.250 -0.863 1.00 8.69 H new ATOM 0 HD22 ASN A 18 26.824 -6.708 0.776 1.00 8.69 H new ATOM 286 N LEU A 19 23.215 -2.789 1.494 1.00 7.15 N ATOM 287 CA LEU A 19 21.946 -2.435 2.104 1.00 7.45 C ATOM 288 C LEU A 19 21.492 -1.065 1.640 1.00 6.65 C ATOM 289 O LEU A 19 20.324 -0.863 1.310 1.00 6.48 O ATOM 290 CB LEU A 19 22.071 -2.458 3.625 1.00 8.49 C ATOM 291 CG LEU A 19 20.743 -2.465 4.386 1.00 9.04 C ATOM 292 CD1 LEU A 19 20.339 -3.888 4.739 1.00 10.15 C ATOM 293 CD2 LEU A 19 20.843 -1.610 5.640 1.00 9.34 C ATOM 0 H LEU A 19 24.019 -2.716 2.117 1.00 7.15 H new ATOM 0 HA LEU A 19 21.200 -3.168 1.797 1.00 7.45 H new ATOM 0 HB2 LEU A 19 22.642 -3.340 3.914 1.00 8.49 H new ATOM 0 HB3 LEU A 19 22.648 -1.588 3.940 1.00 8.49 H new ATOM 0 HG LEU A 19 19.974 -2.040 3.741 1.00 9.04 H new ATOM 0 HD11 LEU A 19 19.393 -3.874 5.280 1.00 10.15 H new ATOM 0 HD12 LEU A 19 20.226 -4.472 3.825 1.00 10.15 H new ATOM 0 HD13 LEU A 19 21.108 -4.340 5.365 1.00 10.15 H new ATOM 0 HD21 LEU A 19 19.890 -1.626 6.169 1.00 9.34 H new ATOM 0 HD22 LEU A 19 21.625 -2.006 6.289 1.00 9.34 H new ATOM 0 HD23 LEU A 19 21.086 -0.584 5.363 1.00 9.34 H new ATOM 305 N ARG A 20 22.423 -0.122 1.628 1.00 6.33 N ATOM 306 CA ARG A 20 22.116 1.237 1.221 1.00 5.91 C ATOM 307 C ARG A 20 21.518 1.283 -0.178 1.00 5.03 C ATOM 308 O ARG A 20 20.640 2.098 -0.457 1.00 4.92 O ATOM 309 CB ARG A 20 23.362 2.113 1.277 1.00 6.07 C ATOM 310 CG ARG A 20 23.094 3.565 0.939 1.00 6.32 C ATOM 311 CD ARG A 20 22.023 4.149 1.845 1.00 7.11 C ATOM 312 NE ARG A 20 20.687 3.984 1.278 1.00 6.89 N ATOM 313 CZ ARG A 20 20.232 4.687 0.246 1.00 7.12 C ATOM 314 NH1 ARG A 20 20.994 5.613 -0.324 1.00 7.61 N ATOM 315 NH2 ARG A 20 19.014 4.463 -0.219 1.00 7.08 N ATOM 0 H ARG A 20 23.395 -0.275 1.895 1.00 6.33 H new ATOM 0 HA ARG A 20 21.375 1.623 1.922 1.00 5.91 H new ATOM 0 HB2 ARG A 20 23.793 2.054 2.276 1.00 6.07 H new ATOM 0 HB3 ARG A 20 24.106 1.718 0.585 1.00 6.07 H new ATOM 0 HG2 ARG A 20 24.014 4.141 1.040 1.00 6.32 H new ATOM 0 HG3 ARG A 20 22.779 3.647 -0.101 1.00 6.32 H new ATOM 0 HD2 ARG A 20 22.067 3.664 2.820 1.00 7.11 H new ATOM 0 HD3 ARG A 20 22.221 5.209 2.007 1.00 7.11 H new ATOM 0 HE ARG A 20 20.068 3.290 1.698 1.00 6.89 H new ATOM 0 HH11 ARG A 20 21.934 5.788 0.030 1.00 7.61 H new ATOM 0 HH12 ARG A 20 20.639 6.149 -1.116 1.00 7.61 H new ATOM 0 HH21 ARG A 20 18.425 3.752 0.214 1.00 7.08 H new ATOM 0 HH22 ARG A 20 18.663 5.002 -1.011 1.00 7.08 H new ATOM 329 N LEU A 21 21.986 0.406 -1.057 1.00 4.70 N ATOM 330 CA LEU A 21 21.472 0.376 -2.417 1.00 4.30 C ATOM 331 C LEU A 21 20.130 -0.341 -2.444 1.00 4.51 C ATOM 332 O LEU A 21 19.213 0.068 -3.156 1.00 4.29 O ATOM 333 CB LEU A 21 22.465 -0.300 -3.360 1.00 4.42 C ATOM 334 CG LEU A 21 22.792 -1.746 -3.013 1.00 4.66 C ATOM 335 CD1 LEU A 21 21.686 -2.668 -3.501 1.00 4.91 C ATOM 336 CD2 LEU A 21 24.134 -2.141 -3.606 1.00 4.92 C ATOM 0 H LEU A 21 22.710 -0.284 -0.856 1.00 4.70 H new ATOM 0 HA LEU A 21 21.332 1.401 -2.761 1.00 4.30 H new ATOM 0 HB2 LEU A 21 22.064 -0.266 -4.373 1.00 4.42 H new ATOM 0 HB3 LEU A 21 23.390 0.276 -3.364 1.00 4.42 H new ATOM 0 HG LEU A 21 22.860 -1.842 -1.929 1.00 4.66 H new ATOM 0 HD11 LEU A 21 21.933 -3.699 -3.246 1.00 4.91 H new ATOM 0 HD12 LEU A 21 20.745 -2.392 -3.025 1.00 4.91 H new ATOM 0 HD13 LEU A 21 21.586 -2.576 -4.582 1.00 4.91 H new ATOM 0 HD21 LEU A 21 24.354 -3.177 -3.350 1.00 4.92 H new ATOM 0 HD22 LEU A 21 24.098 -2.035 -4.690 1.00 4.92 H new ATOM 0 HD23 LEU A 21 24.914 -1.494 -3.204 1.00 4.92 H new ATOM 348 N TRP A 22 20.001 -1.391 -1.635 1.00 5.20 N ATOM 349 CA TRP A 22 18.745 -2.122 -1.552 1.00 5.70 C ATOM 350 C TRP A 22 17.680 -1.182 -1.010 1.00 5.60 C ATOM 351 O TRP A 22 16.559 -1.126 -1.508 1.00 5.54 O ATOM 352 CB TRP A 22 18.883 -3.349 -0.650 1.00 6.74 C ATOM 353 CG TRP A 22 17.987 -4.477 -1.055 1.00 7.40 C ATOM 354 CD1 TRP A 22 18.016 -5.164 -2.234 1.00 7.65 C ATOM 355 CD2 TRP A 22 16.923 -5.046 -0.284 1.00 8.12 C ATOM 356 NE1 TRP A 22 17.037 -6.127 -2.243 1.00 8.43 N ATOM 357 CE2 TRP A 22 16.352 -6.075 -1.057 1.00 8.67 C ATOM 358 CE3 TRP A 22 16.398 -4.787 0.985 1.00 8.52 C ATOM 359 CZ2 TRP A 22 15.284 -6.843 -0.602 1.00 9.46 C ATOM 360 CZ3 TRP A 22 15.338 -5.550 1.435 1.00 9.34 C ATOM 361 CH2 TRP A 22 14.790 -6.567 0.644 1.00 9.74 C ATOM 0 H TRP A 22 20.744 -1.749 -1.035 1.00 5.20 H new ATOM 0 HA TRP A 22 18.463 -2.477 -2.543 1.00 5.70 H new ATOM 0 HB2 TRP A 22 19.918 -3.691 -0.667 1.00 6.74 H new ATOM 0 HB3 TRP A 22 18.658 -3.065 0.378 1.00 6.74 H new ATOM 0 HD1 TRP A 22 18.708 -4.977 -3.042 1.00 7.65 H new ATOM 0 HE1 TRP A 22 16.850 -6.775 -3.008 1.00 8.43 H new ATOM 0 HE3 TRP A 22 16.813 -4.005 1.603 1.00 8.52 H new ATOM 0 HZ2 TRP A 22 14.860 -7.628 -1.210 1.00 9.46 H new ATOM 0 HZ3 TRP A 22 14.925 -5.359 2.414 1.00 9.34 H new ATOM 0 HH2 TRP A 22 13.961 -7.145 1.025 1.00 9.74 H new ATOM 372 N VAL A 23 18.074 -0.409 -0.008 1.00 5.80 N ATOM 373 CA VAL A 23 17.200 0.583 0.593 1.00 6.07 C ATOM 374 C VAL A 23 16.870 1.653 -0.440 1.00 5.42 C ATOM 375 O VAL A 23 15.809 2.271 -0.397 1.00 5.59 O ATOM 376 CB VAL A 23 17.852 1.243 1.824 1.00 6.77 C ATOM 377 CG1 VAL A 23 16.876 2.191 2.504 1.00 7.38 C ATOM 378 CG2 VAL A 23 18.347 0.184 2.799 1.00 7.58 C ATOM 0 H VAL A 23 19.004 -0.453 0.408 1.00 5.80 H new ATOM 0 HA VAL A 23 16.291 0.080 0.923 1.00 6.07 H new ATOM 0 HB VAL A 23 18.711 1.824 1.488 1.00 6.77 H new ATOM 0 HG11 VAL A 23 17.355 2.647 3.370 1.00 7.38 H new ATOM 0 HG12 VAL A 23 16.577 2.970 1.803 1.00 7.38 H new ATOM 0 HG13 VAL A 23 15.995 1.636 2.827 1.00 7.38 H new ATOM 0 HG21 VAL A 23 18.804 0.669 3.662 1.00 7.58 H new ATOM 0 HG22 VAL A 23 17.507 -0.427 3.129 1.00 7.58 H new ATOM 0 HG23 VAL A 23 19.085 -0.449 2.305 1.00 7.58 H new ATOM 388 N ALA A 24 17.806 1.853 -1.369 1.00 4.87 N ATOM 389 CA ALA A 24 17.662 2.834 -2.438 1.00 4.66 C ATOM 390 C ALA A 24 16.761 2.307 -3.550 1.00 4.44 C ATOM 391 O ALA A 24 16.072 3.070 -4.227 1.00 4.64 O ATOM 392 CB ALA A 24 19.035 3.164 -3.009 1.00 4.64 C ATOM 0 H ALA A 24 18.685 1.337 -1.399 1.00 4.87 H new ATOM 0 HA ALA A 24 17.204 3.732 -2.023 1.00 4.66 H new ATOM 0 HB1 ALA A 24 18.930 3.897 -3.809 1.00 4.64 H new ATOM 0 HB2 ALA A 24 19.668 3.574 -2.222 1.00 4.64 H new ATOM 0 HB3 ALA A 24 19.491 2.257 -3.406 1.00 4.64 H new ATOM 398 N PHE A 25 16.793 0.995 -3.738 1.00 4.42 N ATOM 399 CA PHE A 25 16.009 0.332 -4.772 1.00 4.73 C ATOM 400 C PHE A 25 14.513 0.344 -4.451 1.00 4.92 C ATOM 401 O PHE A 25 13.675 0.277 -5.343 1.00 5.22 O ATOM 402 CB PHE A 25 16.529 -1.103 -4.944 1.00 5.21 C ATOM 403 CG PHE A 25 15.479 -2.178 -4.865 1.00 5.90 C ATOM 404 CD1 PHE A 25 14.887 -2.493 -3.654 1.00 6.45 C ATOM 405 CD2 PHE A 25 15.091 -2.873 -5.998 1.00 6.31 C ATOM 406 CE1 PHE A 25 13.923 -3.480 -3.574 1.00 7.22 C ATOM 407 CE2 PHE A 25 14.129 -3.862 -5.925 1.00 7.09 C ATOM 408 CZ PHE A 25 13.543 -4.165 -4.711 1.00 7.48 C ATOM 0 H PHE A 25 17.363 0.360 -3.179 1.00 4.42 H new ATOM 0 HA PHE A 25 16.126 0.878 -5.708 1.00 4.73 H new ATOM 0 HB2 PHE A 25 17.031 -1.178 -5.909 1.00 5.21 H new ATOM 0 HB3 PHE A 25 17.281 -1.294 -4.178 1.00 5.21 H new ATOM 0 HD1 PHE A 25 15.182 -1.961 -2.761 1.00 6.45 H new ATOM 0 HD2 PHE A 25 15.545 -2.639 -6.949 1.00 6.31 H new ATOM 0 HE1 PHE A 25 13.468 -3.715 -2.623 1.00 7.22 H new ATOM 0 HE2 PHE A 25 13.835 -4.398 -6.816 1.00 7.09 H new ATOM 0 HZ PHE A 25 12.789 -4.936 -4.652 1.00 7.48 H new ATOM 418 N GLN A 26 14.177 0.405 -3.177 1.00 5.01 N ATOM 419 CA GLN A 26 12.774 0.408 -2.775 1.00 5.33 C ATOM 420 C GLN A 26 12.234 1.827 -2.626 1.00 5.20 C ATOM 421 O GLN A 26 11.063 2.089 -2.897 1.00 5.33 O ATOM 422 CB GLN A 26 12.591 -0.353 -1.465 1.00 6.00 C ATOM 423 CG GLN A 26 13.470 0.169 -0.345 1.00 6.19 C ATOM 424 CD GLN A 26 14.040 -0.938 0.522 1.00 6.90 C ATOM 425 OE1 GLN A 26 14.523 -2.001 -0.113 1.00 7.56 O flip ATOM 426 NE2 GLN A 26 14.044 -0.841 1.749 1.00 7.03 N flip ATOM 0 H GLN A 26 14.844 0.453 -2.407 1.00 5.01 H new ATOM 0 HA GLN A 26 12.209 -0.089 -3.564 1.00 5.33 H new ATOM 0 HB2 GLN A 26 11.547 -0.290 -1.158 1.00 6.00 H new ATOM 0 HB3 GLN A 26 12.812 -1.407 -1.631 1.00 6.00 H new ATOM 0 HG2 GLN A 26 14.289 0.747 -0.772 1.00 6.19 H new ATOM 0 HG3 GLN A 26 12.890 0.850 0.278 1.00 6.19 H new ATOM 0 HE21 GLN A 26 13.663 -0.007 2.196 1.00 7.03 H new ATOM 0 HE22 GLN A 26 14.428 -1.595 2.319 1.00 7.03 H new ATOM 435 N MET A 27 13.089 2.734 -2.177 1.00 5.22 N ATOM 436 CA MET A 27 12.686 4.126 -1.974 1.00 5.60 C ATOM 437 C MET A 27 12.704 4.898 -3.269 1.00 5.61 C ATOM 438 O MET A 27 11.842 5.726 -3.525 1.00 6.08 O ATOM 439 CB MET A 27 13.623 4.831 -1.000 1.00 6.08 C ATOM 440 CG MET A 27 15.084 4.764 -1.397 1.00 6.05 C ATOM 441 SD MET A 27 16.179 5.259 -0.056 1.00 6.92 S ATOM 442 CE MET A 27 15.995 7.040 -0.112 1.00 7.30 C ATOM 0 H MET A 27 14.063 2.537 -1.946 1.00 5.22 H new ATOM 0 HA MET A 27 11.673 4.100 -1.571 1.00 5.60 H new ATOM 0 HB2 MET A 27 13.326 5.877 -0.918 1.00 6.08 H new ATOM 0 HB3 MET A 27 13.504 4.388 -0.011 1.00 6.08 H new ATOM 0 HG2 MET A 27 15.328 3.748 -1.706 1.00 6.05 H new ATOM 0 HG3 MET A 27 15.254 5.409 -2.259 1.00 6.05 H new ATOM 0 HE1 MET A 27 16.614 7.494 0.662 1.00 7.30 H new ATOM 0 HE2 MET A 27 16.308 7.408 -1.089 1.00 7.30 H new ATOM 0 HE3 MET A 27 14.951 7.303 0.057 1.00 7.30 H new ATOM 452 N MET A 28 13.724 4.659 -4.054 1.00 5.37 N ATOM 453 CA MET A 28 13.888 5.357 -5.307 1.00 5.83 C ATOM 454 C MET A 28 13.303 4.569 -6.472 1.00 5.90 C ATOM 455 O MET A 28 12.706 5.142 -7.383 1.00 6.52 O ATOM 456 CB MET A 28 15.367 5.644 -5.505 1.00 5.94 C ATOM 457 CG MET A 28 15.654 6.701 -6.560 1.00 6.80 C ATOM 458 SD MET A 28 16.577 6.052 -7.967 1.00 7.09 S ATOM 459 CE MET A 28 17.951 5.262 -7.132 1.00 6.74 C ATOM 0 H MET A 28 14.458 3.982 -3.847 1.00 5.37 H new ATOM 0 HA MET A 28 13.337 6.297 -5.276 1.00 5.83 H new ATOM 0 HB2 MET A 28 15.795 5.967 -4.556 1.00 5.94 H new ATOM 0 HB3 MET A 28 15.872 4.719 -5.784 1.00 5.94 H new ATOM 0 HG2 MET A 28 14.712 7.121 -6.912 1.00 6.80 H new ATOM 0 HG3 MET A 28 16.217 7.517 -6.107 1.00 6.80 H new ATOM 0 HE1 MET A 28 18.848 5.351 -7.744 1.00 6.74 H new ATOM 0 HE2 MET A 28 18.119 5.746 -6.170 1.00 6.74 H new ATOM 0 HE3 MET A 28 17.723 4.208 -6.973 1.00 6.74 H new ATOM 469 N LYS A 29 13.466 3.252 -6.434 1.00 5.53 N ATOM 470 CA LYS A 29 12.936 2.395 -7.489 1.00 5.94 C ATOM 471 C LYS A 29 11.592 1.819 -7.068 1.00 5.80 C ATOM 472 O LYS A 29 10.727 1.553 -7.902 1.00 6.26 O ATOM 473 CB LYS A 29 13.919 1.267 -7.816 1.00 6.13 C ATOM 474 CG LYS A 29 13.382 0.258 -8.821 1.00 6.75 C ATOM 475 CD LYS A 29 13.509 -1.169 -8.306 1.00 7.06 C ATOM 476 CE LYS A 29 12.481 -1.473 -7.224 1.00 7.01 C ATOM 477 NZ LYS A 29 11.691 -2.695 -7.539 1.00 7.60 N ATOM 0 H LYS A 29 13.957 2.756 -5.690 1.00 5.53 H new ATOM 0 HA LYS A 29 12.797 2.997 -8.387 1.00 5.94 H new ATOM 0 HB2 LYS A 29 14.839 1.701 -8.207 1.00 6.13 H new ATOM 0 HB3 LYS A 29 14.179 0.746 -6.895 1.00 6.13 H new ATOM 0 HG2 LYS A 29 12.336 0.477 -9.033 1.00 6.75 H new ATOM 0 HG3 LYS A 29 13.925 0.356 -9.761 1.00 6.75 H new ATOM 0 HD2 LYS A 29 13.383 -1.867 -9.134 1.00 7.06 H new ATOM 0 HD3 LYS A 29 14.512 -1.324 -7.908 1.00 7.06 H new ATOM 0 HE2 LYS A 29 12.988 -1.604 -6.268 1.00 7.01 H new ATOM 0 HE3 LYS A 29 11.807 -0.623 -7.114 1.00 7.01 H new ATOM 0 HZ1 LYS A 29 10.815 -2.696 -6.979 1.00 7.60 H new ATOM 0 HZ2 LYS A 29 11.454 -2.704 -8.552 1.00 7.60 H new ATOM 0 HZ3 LYS A 29 12.251 -3.540 -7.307 1.00 7.60 H new ATOM 491 N GLY A 30 11.424 1.636 -5.763 1.00 5.35 N ATOM 492 CA GLY A 30 10.184 1.101 -5.245 1.00 5.42 C ATOM 493 C GLY A 30 9.166 2.186 -4.939 1.00 5.46 C ATOM 494 O GLY A 30 8.032 1.892 -4.561 1.00 5.60 O ATOM 0 H GLY A 30 12.127 1.850 -5.056 1.00 5.35 H new ATOM 0 HA2 GLY A 30 9.762 0.405 -5.969 1.00 5.42 H new ATOM 0 HA3 GLY A 30 10.388 0.532 -4.338 1.00 5.42 H new ATOM 498 N ALA A 31 9.568 3.445 -5.103 1.00 5.58 N ATOM 499 CA ALA A 31 8.680 4.570 -4.841 1.00 6.02 C ATOM 500 C ALA A 31 7.904 4.956 -6.093 1.00 6.46 C ATOM 501 O ALA A 31 6.710 5.249 -6.031 1.00 6.66 O ATOM 502 CB ALA A 31 9.471 5.759 -4.322 1.00 6.45 C ATOM 0 H ALA A 31 10.502 3.709 -5.416 1.00 5.58 H new ATOM 0 HA ALA A 31 7.963 4.265 -4.078 1.00 6.02 H new ATOM 0 HB1 ALA A 31 8.794 6.591 -4.131 1.00 6.45 H new ATOM 0 HB2 ALA A 31 9.977 5.483 -3.397 1.00 6.45 H new ATOM 0 HB3 ALA A 31 10.211 6.056 -5.065 1.00 6.45 H new ATOM 508 N GLY A 32 8.587 4.950 -7.230 1.00 6.77 N ATOM 509 CA GLY A 32 7.939 5.293 -8.480 1.00 7.49 C ATOM 510 C GLY A 32 7.233 4.102 -9.093 1.00 7.46 C ATOM 511 O GLY A 32 6.149 4.234 -9.661 1.00 7.90 O ATOM 0 H GLY A 32 9.576 4.714 -7.309 1.00 6.77 H new ATOM 0 HA2 GLY A 32 7.219 6.093 -8.309 1.00 7.49 H new ATOM 0 HA3 GLY A 32 8.681 5.676 -9.181 1.00 7.49 H new ATOM 515 N TRP A 33 7.853 2.934 -8.971 1.00 7.11 N ATOM 516 CA TRP A 33 7.288 1.705 -9.509 1.00 7.36 C ATOM 517 C TRP A 33 6.406 1.012 -8.475 1.00 6.89 C ATOM 518 O TRP A 33 5.183 0.988 -8.608 1.00 7.23 O ATOM 519 CB TRP A 33 8.407 0.764 -9.960 1.00 7.43 C ATOM 520 CG TRP A 33 7.907 -0.509 -10.574 1.00 8.21 C ATOM 521 CD1 TRP A 33 6.658 -0.746 -11.071 1.00 8.65 C ATOM 522 CD2 TRP A 33 8.649 -1.720 -10.756 1.00 8.89 C ATOM 523 NE1 TRP A 33 6.577 -2.032 -11.549 1.00 9.49 N ATOM 524 CE2 TRP A 33 7.787 -2.650 -11.368 1.00 9.64 C ATOM 525 CE3 TRP A 33 9.959 -2.110 -10.460 1.00 9.13 C ATOM 526 CZ2 TRP A 33 8.192 -3.943 -11.689 1.00 10.53 C ATOM 527 CZ3 TRP A 33 10.360 -3.393 -10.780 1.00 10.07 C ATOM 528 CH2 TRP A 33 9.480 -4.296 -11.390 1.00 10.72 C ATOM 0 H TRP A 33 8.751 2.814 -8.502 1.00 7.11 H new ATOM 0 HA TRP A 33 6.669 1.962 -10.369 1.00 7.36 H new ATOM 0 HB2 TRP A 33 9.038 1.283 -10.682 1.00 7.43 H new ATOM 0 HB3 TRP A 33 9.035 0.522 -9.103 1.00 7.43 H new ATOM 0 HD1 TRP A 33 5.851 -0.028 -11.086 1.00 8.65 H new ATOM 0 HE1 TRP A 33 5.751 -2.457 -11.970 1.00 9.49 H new ATOM 0 HE3 TRP A 33 10.645 -1.421 -9.990 1.00 9.13 H new ATOM 0 HZ2 TRP A 33 7.514 -4.642 -12.157 1.00 10.53 H new ATOM 0 HZ3 TRP A 33 11.369 -3.705 -10.556 1.00 10.07 H new ATOM 0 HH2 TRP A 33 9.825 -5.291 -11.629 1.00 10.72 H new ATOM 539 N ALA A 34 7.029 0.451 -7.443 1.00 6.23 N ATOM 540 CA ALA A 34 6.286 -0.237 -6.394 1.00 5.91 C ATOM 541 C ALA A 34 5.326 0.715 -5.698 1.00 5.80 C ATOM 542 O ALA A 34 4.271 0.308 -5.220 1.00 5.89 O ATOM 543 CB ALA A 34 7.234 -0.863 -5.384 1.00 5.55 C ATOM 0 H ALA A 34 8.040 0.459 -7.311 1.00 6.23 H new ATOM 0 HA ALA A 34 5.704 -1.032 -6.861 1.00 5.91 H new ATOM 0 HB1 ALA A 34 6.658 -1.371 -4.611 1.00 5.55 H new ATOM 0 HB2 ALA A 34 7.879 -1.583 -5.888 1.00 5.55 H new ATOM 0 HB3 ALA A 34 7.846 -0.085 -4.928 1.00 5.55 H new ATOM 549 N GLY A 35 5.687 1.989 -5.649 1.00 5.83 N ATOM 550 CA GLY A 35 4.824 2.963 -5.013 1.00 6.10 C ATOM 551 C GLY A 35 3.415 2.914 -5.571 1.00 6.49 C ATOM 552 O GLY A 35 2.448 2.770 -4.825 1.00 6.41 O ATOM 0 H GLY A 35 6.554 2.363 -6.034 1.00 5.83 H new ATOM 0 HA2 GLY A 35 4.797 2.778 -3.939 1.00 6.10 H new ATOM 0 HA3 GLY A 35 5.237 3.962 -5.154 1.00 6.10 H new ATOM 556 N GLY A 36 3.306 3.026 -6.890 1.00 7.06 N ATOM 557 CA GLY A 36 2.007 2.990 -7.534 1.00 7.70 C ATOM 558 C GLY A 36 1.519 1.579 -7.811 1.00 7.58 C ATOM 559 O GLY A 36 0.322 1.304 -7.723 1.00 7.74 O ATOM 0 H GLY A 36 4.096 3.141 -7.525 1.00 7.06 H new ATOM 0 HA2 GLY A 36 1.281 3.502 -6.903 1.00 7.70 H new ATOM 0 HA3 GLY A 36 2.058 3.541 -8.473 1.00 7.70 H new ATOM 563 N VAL A 37 2.441 0.682 -8.148 1.00 7.46 N ATOM 564 CA VAL A 37 2.092 -0.698 -8.437 1.00 7.68 C ATOM 565 C VAL A 37 1.810 -1.461 -7.155 1.00 7.04 C ATOM 566 O VAL A 37 0.771 -2.105 -7.014 1.00 7.20 O ATOM 567 CB VAL A 37 3.213 -1.411 -9.220 1.00 8.05 C ATOM 568 CG1 VAL A 37 2.840 -2.859 -9.504 1.00 8.65 C ATOM 569 CG2 VAL A 37 3.511 -0.670 -10.514 1.00 8.73 C ATOM 0 H VAL A 37 3.436 0.890 -8.227 1.00 7.46 H new ATOM 0 HA VAL A 37 1.193 -0.681 -9.053 1.00 7.68 H new ATOM 0 HB VAL A 37 4.113 -1.409 -8.605 1.00 8.05 H new ATOM 0 HG11 VAL A 37 3.646 -3.341 -10.057 1.00 8.65 H new ATOM 0 HG12 VAL A 37 2.681 -3.385 -8.563 1.00 8.65 H new ATOM 0 HG13 VAL A 37 1.925 -2.890 -10.096 1.00 8.65 H new ATOM 0 HG21 VAL A 37 4.304 -1.186 -11.054 1.00 8.73 H new ATOM 0 HG22 VAL A 37 2.613 -0.639 -11.131 1.00 8.73 H new ATOM 0 HG23 VAL A 37 3.830 0.347 -10.286 1.00 8.73 H new ATOM 579 N PHE A 38 2.753 -1.391 -6.227 1.00 6.43 N ATOM 580 CA PHE A 38 2.619 -2.085 -4.961 1.00 6.04 C ATOM 581 C PHE A 38 1.539 -1.457 -4.086 1.00 5.71 C ATOM 582 O PHE A 38 0.582 -2.127 -3.701 1.00 5.79 O ATOM 583 CB PHE A 38 3.951 -2.111 -4.213 1.00 5.76 C ATOM 584 CG PHE A 38 4.107 -3.299 -3.309 1.00 6.11 C ATOM 585 CD1 PHE A 38 4.062 -4.586 -3.821 1.00 6.51 C ATOM 586 CD2 PHE A 38 4.296 -3.130 -1.947 1.00 6.47 C ATOM 587 CE1 PHE A 38 4.204 -5.682 -2.992 1.00 7.18 C ATOM 588 CE2 PHE A 38 4.439 -4.222 -1.112 1.00 7.15 C ATOM 589 CZ PHE A 38 4.392 -5.500 -1.635 1.00 7.47 C ATOM 0 H PHE A 38 3.618 -0.860 -6.330 1.00 6.43 H new ATOM 0 HA PHE A 38 2.319 -3.109 -5.184 1.00 6.04 H new ATOM 0 HB2 PHE A 38 4.766 -2.106 -4.937 1.00 5.76 H new ATOM 0 HB3 PHE A 38 4.045 -1.200 -3.622 1.00 5.76 H new ATOM 0 HD1 PHE A 38 3.914 -4.734 -4.881 1.00 6.51 H new ATOM 0 HD2 PHE A 38 4.332 -2.133 -1.533 1.00 6.47 H new ATOM 0 HE1 PHE A 38 4.168 -6.680 -3.404 1.00 7.18 H new ATOM 0 HE2 PHE A 38 4.587 -4.077 -0.052 1.00 7.15 H new ATOM 0 HZ PHE A 38 4.502 -6.355 -0.985 1.00 7.47 H new ATOM 599 N PHE A 39 1.690 -0.173 -3.770 1.00 5.55 N ATOM 600 CA PHE A 39 0.712 0.514 -2.935 1.00 5.55 C ATOM 601 C PHE A 39 -0.660 0.493 -3.593 1.00 5.84 C ATOM 602 O PHE A 39 -1.673 0.286 -2.926 1.00 5.71 O ATOM 603 CB PHE A 39 1.149 1.953 -2.663 1.00 5.94 C ATOM 604 CG PHE A 39 0.737 2.459 -1.309 1.00 6.25 C ATOM 605 CD1 PHE A 39 1.257 1.891 -0.157 1.00 6.53 C ATOM 606 CD2 PHE A 39 -0.169 3.500 -1.190 1.00 6.64 C ATOM 607 CE1 PHE A 39 0.880 2.353 1.090 1.00 7.05 C ATOM 608 CE2 PHE A 39 -0.549 3.966 0.054 1.00 7.21 C ATOM 609 CZ PHE A 39 -0.024 3.392 1.196 1.00 7.36 C ATOM 0 H PHE A 39 2.472 0.406 -4.076 1.00 5.55 H new ATOM 0 HA PHE A 39 0.648 -0.012 -1.982 1.00 5.55 H new ATOM 0 HB2 PHE A 39 2.233 2.018 -2.752 1.00 5.94 H new ATOM 0 HB3 PHE A 39 0.727 2.603 -3.429 1.00 5.94 H new ATOM 0 HD1 PHE A 39 1.964 1.079 -0.234 1.00 6.53 H new ATOM 0 HD2 PHE A 39 -0.583 3.952 -2.079 1.00 6.64 H new ATOM 0 HE1 PHE A 39 1.292 1.902 1.981 1.00 7.05 H new ATOM 0 HE2 PHE A 39 -1.256 4.778 0.134 1.00 7.21 H new ATOM 0 HZ PHE A 39 -0.320 3.755 2.169 1.00 7.36 H new ATOM 619 N GLY A 40 -0.688 0.685 -4.908 1.00 6.40 N ATOM 620 CA GLY A 40 -1.948 0.656 -5.625 1.00 6.98 C ATOM 621 C GLY A 40 -2.660 -0.667 -5.429 1.00 6.80 C ATOM 622 O GLY A 40 -3.887 -0.742 -5.452 1.00 7.01 O ATOM 0 H GLY A 40 0.134 0.859 -5.486 1.00 6.40 H new ATOM 0 HA2 GLY A 40 -2.585 1.470 -5.279 1.00 6.98 H new ATOM 0 HA3 GLY A 40 -1.769 0.822 -6.687 1.00 6.98 H new ATOM 626 N THR A 41 -1.876 -1.717 -5.219 1.00 6.59 N ATOM 627 CA THR A 41 -2.425 -3.044 -5.000 1.00 6.72 C ATOM 628 C THR A 41 -2.763 -3.248 -3.531 1.00 6.10 C ATOM 629 O THR A 41 -3.824 -3.769 -3.200 1.00 6.16 O ATOM 630 CB THR A 41 -1.430 -4.108 -5.434 1.00 7.16 C ATOM 631 OG1 THR A 41 -0.957 -3.855 -6.745 1.00 7.79 O ATOM 632 CG2 THR A 41 -2.004 -5.507 -5.409 1.00 7.76 C ATOM 0 H THR A 41 -0.857 -1.673 -5.196 1.00 6.59 H new ATOM 0 HA THR A 41 -3.334 -3.133 -5.594 1.00 6.72 H new ATOM 0 HB THR A 41 -0.617 -4.054 -4.710 1.00 7.16 H new ATOM 0 HG1 THR A 41 -0.294 -3.134 -6.720 1.00 7.79 H new ATOM 0 HG21 THR A 41 -1.243 -6.218 -5.730 1.00 7.76 H new ATOM 0 HG22 THR A 41 -2.325 -5.751 -4.396 1.00 7.76 H new ATOM 0 HG23 THR A 41 -2.859 -5.562 -6.083 1.00 7.76 H new ATOM 640 N LEU A 42 -1.853 -2.837 -2.650 1.00 5.66 N ATOM 641 CA LEU A 42 -2.073 -2.986 -1.218 1.00 5.40 C ATOM 642 C LEU A 42 -3.292 -2.193 -0.785 1.00 5.19 C ATOM 643 O LEU A 42 -4.055 -2.627 0.072 1.00 5.19 O ATOM 644 CB LEU A 42 -0.851 -2.543 -0.417 1.00 5.36 C ATOM 645 CG LEU A 42 0.444 -3.295 -0.728 1.00 5.60 C ATOM 646 CD1 LEU A 42 1.564 -2.824 0.186 1.00 5.85 C ATOM 647 CD2 LEU A 42 0.235 -4.795 -0.589 1.00 6.12 C ATOM 0 H LEU A 42 -0.965 -2.402 -2.902 1.00 5.66 H new ATOM 0 HA LEU A 42 -2.244 -4.044 -1.018 1.00 5.40 H new ATOM 0 HB2 LEU A 42 -0.686 -1.480 -0.595 1.00 5.36 H new ATOM 0 HB3 LEU A 42 -1.072 -2.657 0.644 1.00 5.36 H new ATOM 0 HG LEU A 42 0.729 -3.082 -1.758 1.00 5.60 H new ATOM 0 HD11 LEU A 42 2.478 -3.369 -0.048 1.00 5.85 H new ATOM 0 HD12 LEU A 42 1.730 -1.757 0.038 1.00 5.85 H new ATOM 0 HD13 LEU A 42 1.288 -3.008 1.224 1.00 5.85 H new ATOM 0 HD21 LEU A 42 1.166 -5.315 -0.814 1.00 6.12 H new ATOM 0 HD22 LEU A 42 -0.073 -5.027 0.431 1.00 6.12 H new ATOM 0 HD23 LEU A 42 -0.539 -5.120 -1.284 1.00 6.12 H new ATOM 659 N LEU A 43 -3.484 -1.034 -1.393 1.00 5.28 N ATOM 660 CA LEU A 43 -4.630 -0.213 -1.082 1.00 5.45 C ATOM 661 C LEU A 43 -5.875 -0.852 -1.686 1.00 5.60 C ATOM 662 O LEU A 43 -6.965 -0.729 -1.150 1.00 5.60 O ATOM 663 CB LEU A 43 -4.423 1.226 -1.583 1.00 6.01 C ATOM 664 CG LEU A 43 -5.440 1.732 -2.609 1.00 6.66 C ATOM 665 CD1 LEU A 43 -5.298 3.233 -2.807 1.00 7.21 C ATOM 666 CD2 LEU A 43 -5.261 0.997 -3.926 1.00 7.04 C ATOM 0 H LEU A 43 -2.861 -0.646 -2.101 1.00 5.28 H new ATOM 0 HA LEU A 43 -4.759 -0.153 -0.001 1.00 5.45 H new ATOM 0 HB2 LEU A 43 -4.441 1.895 -0.723 1.00 6.01 H new ATOM 0 HB3 LEU A 43 -3.428 1.297 -2.022 1.00 6.01 H new ATOM 0 HG LEU A 43 -6.444 1.534 -2.234 1.00 6.66 H new ATOM 0 HD11 LEU A 43 -6.029 3.574 -3.540 1.00 7.21 H new ATOM 0 HD12 LEU A 43 -5.469 3.743 -1.859 1.00 7.21 H new ATOM 0 HD13 LEU A 43 -4.293 3.459 -3.164 1.00 7.21 H new ATOM 0 HD21 LEU A 43 -5.989 1.364 -4.649 1.00 7.04 H new ATOM 0 HD22 LEU A 43 -4.254 1.170 -4.305 1.00 7.04 H new ATOM 0 HD23 LEU A 43 -5.411 -0.071 -3.770 1.00 7.04 H new ATOM 678 N LEU A 44 -5.706 -1.550 -2.810 1.00 5.92 N ATOM 679 CA LEU A 44 -6.838 -2.209 -3.449 1.00 6.40 C ATOM 680 C LEU A 44 -7.252 -3.459 -2.677 1.00 6.20 C ATOM 681 O LEU A 44 -8.433 -3.746 -2.535 1.00 6.30 O ATOM 682 CB LEU A 44 -6.512 -2.587 -4.897 1.00 7.17 C ATOM 683 CG LEU A 44 -7.652 -2.409 -5.915 1.00 7.99 C ATOM 684 CD1 LEU A 44 -9.017 -2.401 -5.239 1.00 8.01 C ATOM 685 CD2 LEU A 44 -7.448 -1.134 -6.721 1.00 8.73 C ATOM 0 H LEU A 44 -4.812 -1.671 -3.287 1.00 5.92 H new ATOM 0 HA LEU A 44 -7.667 -1.501 -3.448 1.00 6.40 H new ATOM 0 HB2 LEU A 44 -5.662 -1.988 -5.225 1.00 7.17 H new ATOM 0 HB3 LEU A 44 -6.194 -3.629 -4.916 1.00 7.17 H new ATOM 0 HG LEU A 44 -7.627 -3.263 -6.592 1.00 7.99 H new ATOM 0 HD11 LEU A 44 -9.795 -2.273 -5.992 1.00 8.01 H new ATOM 0 HD12 LEU A 44 -9.170 -3.345 -4.716 1.00 8.01 H new ATOM 0 HD13 LEU A 44 -9.065 -1.579 -4.525 1.00 8.01 H new ATOM 0 HD21 LEU A 44 -8.262 -1.022 -7.437 1.00 8.73 H new ATOM 0 HD22 LEU A 44 -7.435 -0.276 -6.048 1.00 8.73 H new ATOM 0 HD23 LEU A 44 -6.500 -1.189 -7.256 1.00 8.73 H new ATOM 697 N ILE A 45 -6.264 -4.211 -2.204 1.00 6.11 N ATOM 698 CA ILE A 45 -6.517 -5.450 -1.476 1.00 6.31 C ATOM 699 C ILE A 45 -6.631 -5.228 0.032 1.00 5.87 C ATOM 700 O ILE A 45 -7.536 -5.754 0.674 1.00 5.98 O ATOM 701 CB ILE A 45 -5.403 -6.481 -1.757 1.00 6.87 C ATOM 702 CG1 ILE A 45 -5.651 -7.176 -3.096 1.00 7.70 C ATOM 703 CG2 ILE A 45 -5.315 -7.502 -0.633 1.00 7.23 C ATOM 704 CD1 ILE A 45 -4.383 -7.600 -3.803 1.00 8.10 C ATOM 0 H ILE A 45 -5.276 -3.983 -2.312 1.00 6.11 H new ATOM 0 HA ILE A 45 -7.474 -5.831 -1.833 1.00 6.31 H new ATOM 0 HB ILE A 45 -4.451 -5.953 -1.809 1.00 6.87 H new ATOM 0 HG12 ILE A 45 -6.275 -8.054 -2.930 1.00 7.70 H new ATOM 0 HG13 ILE A 45 -6.212 -6.504 -3.746 1.00 7.70 H new ATOM 0 HG21 ILE A 45 -4.523 -8.218 -0.853 1.00 7.23 H new ATOM 0 HG22 ILE A 45 -5.093 -6.993 0.305 1.00 7.23 H new ATOM 0 HG23 ILE A 45 -6.266 -8.028 -0.544 1.00 7.23 H new ATOM 0 HD11 ILE A 45 -4.637 -8.086 -4.745 1.00 8.10 H new ATOM 0 HD12 ILE A 45 -3.766 -6.723 -4.001 1.00 8.10 H new ATOM 0 HD13 ILE A 45 -3.831 -8.297 -3.173 1.00 8.10 H new ATOM 716 N GLY A 46 -5.709 -4.458 0.589 1.00 5.58 N ATOM 717 CA GLY A 46 -5.728 -4.193 2.011 1.00 5.58 C ATOM 718 C GLY A 46 -6.933 -3.379 2.397 1.00 5.34 C ATOM 719 O GLY A 46 -7.451 -3.495 3.509 1.00 5.57 O ATOM 0 H GLY A 46 -4.946 -4.011 0.080 1.00 5.58 H new ATOM 0 HA2 GLY A 46 -5.732 -5.135 2.559 1.00 5.58 H new ATOM 0 HA3 GLY A 46 -4.820 -3.662 2.297 1.00 5.58 H new ATOM 723 N PHE A 47 -7.389 -2.558 1.463 1.00 5.17 N ATOM 724 CA PHE A 47 -8.547 -1.728 1.693 1.00 5.25 C ATOM 725 C PHE A 47 -9.823 -2.507 1.383 1.00 5.25 C ATOM 726 O PHE A 47 -10.855 -2.307 2.020 1.00 5.31 O ATOM 727 CB PHE A 47 -8.473 -0.453 0.851 1.00 5.58 C ATOM 728 CG PHE A 47 -9.256 0.694 1.423 1.00 6.11 C ATOM 729 CD1 PHE A 47 -8.911 1.245 2.647 1.00 6.51 C ATOM 730 CD2 PHE A 47 -10.337 1.223 0.735 1.00 6.56 C ATOM 731 CE1 PHE A 47 -9.630 2.302 3.174 1.00 7.22 C ATOM 732 CE2 PHE A 47 -11.059 2.279 1.257 1.00 7.28 C ATOM 733 CZ PHE A 47 -10.705 2.820 2.478 1.00 7.56 C ATOM 0 H PHE A 47 -6.969 -2.453 0.539 1.00 5.17 H new ATOM 0 HA PHE A 47 -8.564 -1.438 2.744 1.00 5.25 H new ATOM 0 HB2 PHE A 47 -7.429 -0.155 0.750 1.00 5.58 H new ATOM 0 HB3 PHE A 47 -8.841 -0.669 -0.152 1.00 5.58 H new ATOM 0 HD1 PHE A 47 -8.071 0.844 3.195 1.00 6.51 H new ATOM 0 HD2 PHE A 47 -10.618 0.805 -0.220 1.00 6.56 H new ATOM 0 HE1 PHE A 47 -9.351 2.722 4.129 1.00 7.22 H new ATOM 0 HE2 PHE A 47 -11.899 2.681 0.711 1.00 7.28 H new ATOM 0 HZ PHE A 47 -11.267 3.646 2.887 1.00 7.56 H new ATOM 743 N PHE A 48 -9.734 -3.408 0.406 1.00 5.39 N ATOM 744 CA PHE A 48 -10.867 -4.235 0.009 1.00 5.71 C ATOM 745 C PHE A 48 -11.108 -5.329 1.039 1.00 5.75 C ATOM 746 O PHE A 48 -12.248 -5.699 1.319 1.00 5.88 O ATOM 747 CB PHE A 48 -10.596 -4.862 -1.363 1.00 6.34 C ATOM 748 CG PHE A 48 -11.832 -5.296 -2.097 1.00 6.96 C ATOM 749 CD1 PHE A 48 -12.687 -6.242 -1.557 1.00 7.31 C ATOM 750 CD2 PHE A 48 -12.134 -4.752 -3.335 1.00 7.53 C ATOM 751 CE1 PHE A 48 -13.823 -6.638 -2.238 1.00 8.09 C ATOM 752 CE2 PHE A 48 -13.268 -5.144 -4.021 1.00 8.32 C ATOM 753 CZ PHE A 48 -14.114 -6.087 -3.471 1.00 8.56 C ATOM 0 H PHE A 48 -8.882 -3.583 -0.127 1.00 5.39 H new ATOM 0 HA PHE A 48 -11.757 -3.608 -0.051 1.00 5.71 H new ATOM 0 HB2 PHE A 48 -10.056 -4.143 -1.978 1.00 6.34 H new ATOM 0 HB3 PHE A 48 -9.943 -5.725 -1.233 1.00 6.34 H new ATOM 0 HD1 PHE A 48 -12.464 -6.675 -0.593 1.00 7.31 H new ATOM 0 HD2 PHE A 48 -11.476 -4.014 -3.769 1.00 7.53 H new ATOM 0 HE1 PHE A 48 -14.482 -7.377 -1.807 1.00 8.09 H new ATOM 0 HE2 PHE A 48 -13.492 -4.714 -4.986 1.00 8.32 H new ATOM 0 HZ PHE A 48 -15.002 -6.393 -4.004 1.00 8.56 H new ATOM 763 N ARG A 49 -10.019 -5.840 1.600 1.00 5.86 N ATOM 764 CA ARG A 49 -10.100 -6.893 2.598 1.00 6.33 C ATOM 765 C ARG A 49 -10.607 -6.345 3.926 1.00 6.18 C ATOM 766 O ARG A 49 -11.298 -7.040 4.670 1.00 6.58 O ATOM 767 CB ARG A 49 -8.735 -7.559 2.787 1.00 6.86 C ATOM 768 CG ARG A 49 -7.677 -6.631 3.358 1.00 6.76 C ATOM 769 CD ARG A 49 -7.512 -6.830 4.856 1.00 7.53 C ATOM 770 NE ARG A 49 -6.521 -7.859 5.165 1.00 8.26 N ATOM 771 CZ ARG A 49 -5.207 -7.642 5.187 1.00 8.99 C ATOM 772 NH1 ARG A 49 -4.721 -6.437 4.919 1.00 9.14 N ATOM 773 NH2 ARG A 49 -4.377 -8.635 5.479 1.00 9.77 N ATOM 0 H ARG A 49 -9.069 -5.540 1.379 1.00 5.86 H new ATOM 0 HA ARG A 49 -10.809 -7.641 2.243 1.00 6.33 H new ATOM 0 HB2 ARG A 49 -8.848 -8.418 3.449 1.00 6.86 H new ATOM 0 HB3 ARG A 49 -8.391 -7.941 1.826 1.00 6.86 H new ATOM 0 HG2 ARG A 49 -6.725 -6.812 2.859 1.00 6.76 H new ATOM 0 HG3 ARG A 49 -7.952 -5.596 3.155 1.00 6.76 H new ATOM 0 HD2 ARG A 49 -7.213 -5.888 5.316 1.00 7.53 H new ATOM 0 HD3 ARG A 49 -8.471 -7.107 5.293 1.00 7.53 H new ATOM 0 HE ARG A 49 -6.856 -8.799 5.376 1.00 8.26 H new ATOM 0 HH11 ARG A 49 -5.355 -5.670 4.694 1.00 9.14 H new ATOM 0 HH12 ARG A 49 -3.714 -6.278 4.938 1.00 9.14 H new ATOM 0 HH21 ARG A 49 -4.745 -9.563 5.686 1.00 9.77 H new ATOM 0 HH22 ARG A 49 -3.371 -8.470 5.496 1.00 9.77 H new ATOM 787 N VAL A 50 -10.266 -5.094 4.216 1.00 5.85 N ATOM 788 CA VAL A 50 -10.696 -4.456 5.453 1.00 6.08 C ATOM 789 C VAL A 50 -12.124 -3.955 5.336 1.00 5.82 C ATOM 790 O VAL A 50 -12.847 -3.902 6.321 1.00 6.12 O ATOM 791 CB VAL A 50 -9.777 -3.295 5.856 1.00 6.28 C ATOM 792 CG1 VAL A 50 -9.742 -2.230 4.772 1.00 6.64 C ATOM 793 CG2 VAL A 50 -10.214 -2.699 7.187 1.00 6.28 C ATOM 0 H VAL A 50 -9.694 -4.503 3.612 1.00 5.85 H new ATOM 0 HA VAL A 50 -10.641 -5.217 6.231 1.00 6.08 H new ATOM 0 HB VAL A 50 -8.767 -3.688 5.975 1.00 6.28 H new ATOM 0 HG11 VAL A 50 -9.084 -1.418 5.081 1.00 6.64 H new ATOM 0 HG12 VAL A 50 -9.369 -2.666 3.845 1.00 6.64 H new ATOM 0 HG13 VAL A 50 -10.748 -1.841 4.611 1.00 6.64 H new ATOM 0 HG21 VAL A 50 -9.549 -1.878 7.454 1.00 6.28 H new ATOM 0 HG22 VAL A 50 -11.235 -2.326 7.101 1.00 6.28 H new ATOM 0 HG23 VAL A 50 -10.172 -3.466 7.960 1.00 6.28 H new ATOM 803 N VAL A 51 -12.537 -3.598 4.128 1.00 5.45 N ATOM 804 CA VAL A 51 -13.899 -3.130 3.924 1.00 5.45 C ATOM 805 C VAL A 51 -14.884 -4.273 4.160 1.00 5.48 C ATOM 806 O VAL A 51 -16.094 -4.060 4.216 1.00 5.60 O ATOM 807 CB VAL A 51 -14.102 -2.540 2.510 1.00 5.53 C ATOM 808 CG1 VAL A 51 -15.575 -2.269 2.237 1.00 5.86 C ATOM 809 CG2 VAL A 51 -13.287 -1.266 2.346 1.00 5.73 C ATOM 0 H VAL A 51 -11.959 -3.623 3.288 1.00 5.45 H new ATOM 0 HA VAL A 51 -14.085 -2.332 4.643 1.00 5.45 H new ATOM 0 HB VAL A 51 -13.754 -3.274 1.783 1.00 5.53 H new ATOM 0 HG11 VAL A 51 -15.689 -1.854 1.235 1.00 5.86 H new ATOM 0 HG12 VAL A 51 -16.136 -3.201 2.310 1.00 5.86 H new ATOM 0 HG13 VAL A 51 -15.956 -1.558 2.970 1.00 5.86 H new ATOM 0 HG21 VAL A 51 -13.440 -0.862 1.345 1.00 5.73 H new ATOM 0 HG22 VAL A 51 -13.606 -0.532 3.086 1.00 5.73 H new ATOM 0 HG23 VAL A 51 -12.230 -1.489 2.489 1.00 5.73 H new ATOM 819 N GLY A 52 -14.353 -5.486 4.309 1.00 5.61 N ATOM 820 CA GLY A 52 -15.189 -6.640 4.554 1.00 5.96 C ATOM 821 C GLY A 52 -14.954 -7.244 5.928 1.00 6.46 C ATOM 822 O GLY A 52 -15.761 -8.045 6.401 1.00 6.94 O ATOM 0 H GLY A 52 -13.354 -5.685 4.263 1.00 5.61 H new ATOM 0 HA2 GLY A 52 -16.236 -6.353 4.461 1.00 5.96 H new ATOM 0 HA3 GLY A 52 -14.996 -7.394 3.791 1.00 5.96 H new ATOM 826 N ARG A 53 -13.846 -6.870 6.576 1.00 6.58 N ATOM 827 CA ARG A 53 -13.530 -7.400 7.902 1.00 7.38 C ATOM 828 C ARG A 53 -13.680 -6.332 8.986 1.00 7.61 C ATOM 829 O ARG A 53 -13.197 -6.504 10.104 1.00 8.40 O ATOM 830 CB ARG A 53 -12.107 -7.962 7.918 1.00 7.97 C ATOM 831 CG ARG A 53 -12.038 -9.454 7.626 1.00 8.68 C ATOM 832 CD ARG A 53 -11.075 -9.761 6.490 1.00 9.40 C ATOM 833 NE ARG A 53 -11.574 -10.825 5.621 1.00 10.07 N ATOM 834 CZ ARG A 53 -12.554 -10.660 4.735 1.00 10.59 C ATOM 835 NH1 ARG A 53 -13.140 -9.478 4.596 1.00 10.55 N ATOM 836 NH2 ARG A 53 -12.948 -11.681 3.986 1.00 11.35 N ATOM 0 H ARG A 53 -13.161 -6.210 6.207 1.00 6.58 H new ATOM 0 HA ARG A 53 -14.239 -8.199 8.118 1.00 7.38 H new ATOM 0 HB2 ARG A 53 -11.506 -7.428 7.182 1.00 7.97 H new ATOM 0 HB3 ARG A 53 -11.660 -7.770 8.894 1.00 7.97 H new ATOM 0 HG2 ARG A 53 -11.723 -9.986 8.524 1.00 8.68 H new ATOM 0 HG3 ARG A 53 -13.032 -9.821 7.370 1.00 8.68 H new ATOM 0 HD2 ARG A 53 -10.910 -8.859 5.901 1.00 9.40 H new ATOM 0 HD3 ARG A 53 -10.109 -10.053 6.902 1.00 9.40 H new ATOM 0 HE ARG A 53 -11.146 -11.748 5.698 1.00 10.07 H new ATOM 0 HH11 ARG A 53 -12.840 -8.690 5.170 1.00 10.55 H new ATOM 0 HH12 ARG A 53 -13.890 -9.358 3.916 1.00 10.55 H new ATOM 0 HH21 ARG A 53 -12.500 -12.592 4.089 1.00 11.35 H new ATOM 0 HH22 ARG A 53 -13.699 -11.556 3.307 1.00 11.35 H new ATOM 850 N MET A 54 -14.348 -5.232 8.646 1.00 7.17 N ATOM 851 CA MET A 54 -14.559 -4.128 9.578 1.00 7.68 C ATOM 852 C MET A 54 -15.514 -3.100 8.978 1.00 7.31 C ATOM 853 O MET A 54 -15.277 -1.894 9.055 1.00 7.76 O ATOM 854 CB MET A 54 -13.230 -3.447 9.916 1.00 8.22 C ATOM 855 CG MET A 54 -12.473 -4.099 11.062 1.00 8.94 C ATOM 856 SD MET A 54 -11.378 -2.948 11.912 1.00 9.87 S ATOM 857 CE MET A 54 -9.818 -3.320 11.113 1.00 10.57 C ATOM 0 H MET A 54 -14.756 -5.082 7.723 1.00 7.17 H new ATOM 0 HA MET A 54 -14.994 -4.536 10.490 1.00 7.68 H new ATOM 0 HB2 MET A 54 -12.597 -3.449 9.029 1.00 8.22 H new ATOM 0 HB3 MET A 54 -13.422 -2.404 10.168 1.00 8.22 H new ATOM 0 HG2 MET A 54 -13.186 -4.511 11.776 1.00 8.94 H new ATOM 0 HG3 MET A 54 -11.888 -4.935 10.678 1.00 8.94 H new ATOM 0 HE1 MET A 54 -9.185 -3.886 11.797 1.00 10.57 H new ATOM 0 HE2 MET A 54 -10.001 -3.910 10.215 1.00 10.57 H new ATOM 0 HE3 MET A 54 -9.318 -2.391 10.841 1.00 10.57 H new ATOM 867 N LEU A 55 -16.597 -3.586 8.388 1.00 6.71 N ATOM 868 CA LEU A 55 -17.597 -2.719 7.781 1.00 6.58 C ATOM 869 C LEU A 55 -18.940 -3.421 7.782 1.00 6.29 C ATOM 870 O LEU A 55 -19.876 -2.969 8.430 1.00 6.68 O ATOM 871 CB LEU A 55 -17.186 -2.302 6.371 1.00 6.27 C ATOM 872 CG LEU A 55 -16.835 -0.820 6.241 1.00 6.75 C ATOM 873 CD1 LEU A 55 -15.387 -0.643 5.811 1.00 6.84 C ATOM 874 CD2 LEU A 55 -17.773 -0.128 5.263 1.00 7.01 C ATOM 0 H LEU A 55 -16.806 -4.582 8.317 1.00 6.71 H new ATOM 0 HA LEU A 55 -17.678 -1.805 8.370 1.00 6.58 H new ATOM 0 HB2 LEU A 55 -16.327 -2.897 6.063 1.00 6.27 H new ATOM 0 HB3 LEU A 55 -17.998 -2.535 5.683 1.00 6.27 H new ATOM 0 HG LEU A 55 -16.958 -0.356 7.220 1.00 6.75 H new ATOM 0 HD11 LEU A 55 -15.160 0.420 5.725 1.00 6.84 H new ATOM 0 HD12 LEU A 55 -14.729 -1.096 6.553 1.00 6.84 H new ATOM 0 HD13 LEU A 55 -15.232 -1.126 4.846 1.00 6.84 H new ATOM 0 HD21 LEU A 55 -17.505 0.926 5.186 1.00 7.01 H new ATOM 0 HD22 LEU A 55 -17.687 -0.597 4.283 1.00 7.01 H new ATOM 0 HD23 LEU A 55 -18.799 -0.216 5.619 1.00 7.01 H new ATOM 886 N PRO A 56 -19.058 -4.585 7.123 1.00 5.79 N ATOM 887 CA PRO A 56 -20.304 -5.342 7.157 1.00 5.69 C ATOM 888 C PRO A 56 -20.723 -5.568 8.609 1.00 6.12 C ATOM 889 O PRO A 56 -21.873 -5.895 8.902 1.00 6.19 O ATOM 890 CB PRO A 56 -19.946 -6.667 6.477 1.00 5.59 C ATOM 891 CG PRO A 56 -18.751 -6.357 5.640 1.00 5.47 C ATOM 892 CD PRO A 56 -17.999 -5.282 6.373 1.00 5.57 C ATOM 0 HA PRO A 56 -21.135 -4.838 6.664 1.00 5.69 H new ATOM 0 HB2 PRO A 56 -19.724 -7.441 7.212 1.00 5.59 H new ATOM 0 HB3 PRO A 56 -20.771 -7.034 5.867 1.00 5.59 H new ATOM 0 HG2 PRO A 56 -18.131 -7.243 5.503 1.00 5.47 H new ATOM 0 HG3 PRO A 56 -19.047 -6.018 4.647 1.00 5.47 H new ATOM 0 HD2 PRO A 56 -17.243 -5.700 7.038 1.00 5.57 H new ATOM 0 HD3 PRO A 56 -17.483 -4.611 5.686 1.00 5.57 H new ATOM 900 N ILE A 57 -19.753 -5.377 9.512 1.00 6.60 N ATOM 901 CA ILE A 57 -19.963 -5.540 10.940 1.00 7.35 C ATOM 902 C ILE A 57 -20.351 -4.208 11.600 1.00 7.80 C ATOM 903 O ILE A 57 -21.324 -4.140 12.351 1.00 8.09 O ATOM 904 CB ILE A 57 -18.704 -6.159 11.636 1.00 8.04 C ATOM 905 CG1 ILE A 57 -18.177 -5.292 12.799 1.00 8.86 C ATOM 906 CG2 ILE A 57 -17.590 -6.411 10.624 1.00 7.62 C ATOM 907 CD1 ILE A 57 -17.207 -4.201 12.380 1.00 8.74 C ATOM 0 H ILE A 57 -18.802 -5.105 9.264 1.00 6.60 H new ATOM 0 HA ILE A 57 -20.792 -6.236 11.070 1.00 7.35 H new ATOM 0 HB ILE A 57 -19.025 -7.110 12.061 1.00 8.04 H new ATOM 0 HG12 ILE A 57 -19.025 -4.832 13.306 1.00 8.86 H new ATOM 0 HG13 ILE A 57 -17.685 -5.940 13.525 1.00 8.86 H new ATOM 0 HG21 ILE A 57 -16.727 -6.841 11.132 1.00 7.62 H new ATOM 0 HG22 ILE A 57 -17.943 -7.103 9.859 1.00 7.62 H new ATOM 0 HG23 ILE A 57 -17.303 -5.469 10.156 1.00 7.62 H new ATOM 0 HD11 ILE A 57 -16.887 -3.641 13.259 1.00 8.74 H new ATOM 0 HD12 ILE A 57 -16.338 -4.651 11.901 1.00 8.74 H new ATOM 0 HD13 ILE A 57 -17.699 -3.526 11.679 1.00 8.74 H new ATOM 919 N GLN A 58 -19.577 -3.158 11.326 1.00 8.02 N ATOM 920 CA GLN A 58 -19.830 -1.836 11.905 1.00 8.73 C ATOM 921 C GLN A 58 -20.728 -0.986 11.004 1.00 8.39 C ATOM 922 O GLN A 58 -21.535 -0.193 11.488 1.00 8.92 O ATOM 923 CB GLN A 58 -18.495 -1.119 12.175 1.00 9.50 C ATOM 924 CG GLN A 58 -18.365 0.253 11.525 1.00 9.35 C ATOM 925 CD GLN A 58 -17.209 1.056 12.088 1.00 10.23 C ATOM 926 OE1 GLN A 58 -17.396 2.157 12.605 1.00 10.64 O ATOM 927 NE2 GLN A 58 -16.004 0.506 11.991 1.00 10.67 N ATOM 0 H GLN A 58 -18.768 -3.196 10.706 1.00 8.02 H new ATOM 0 HA GLN A 58 -20.358 -1.975 12.848 1.00 8.73 H new ATOM 0 HB2 GLN A 58 -18.369 -1.009 13.252 1.00 9.50 H new ATOM 0 HB3 GLN A 58 -17.681 -1.752 11.822 1.00 9.50 H new ATOM 0 HG2 GLN A 58 -18.229 0.131 10.450 1.00 9.35 H new ATOM 0 HG3 GLN A 58 -19.292 0.808 11.668 1.00 9.35 H new ATOM 0 HE21 GLN A 58 -15.895 -0.409 11.554 1.00 10.67 H new ATOM 0 HE22 GLN A 58 -15.188 0.999 12.353 1.00 10.67 H new ATOM 936 N GLU A 59 -20.576 -1.157 9.698 1.00 7.67 N ATOM 937 CA GLU A 59 -21.360 -0.412 8.725 1.00 7.57 C ATOM 938 C GLU A 59 -22.844 -0.672 8.923 1.00 7.40 C ATOM 939 O GLU A 59 -23.686 0.093 8.452 1.00 7.75 O ATOM 940 CB GLU A 59 -20.945 -0.794 7.303 1.00 7.00 C ATOM 941 CG GLU A 59 -21.329 0.242 6.258 1.00 7.53 C ATOM 942 CD GLU A 59 -22.378 -0.268 5.289 1.00 7.91 C ATOM 943 OE1 GLU A 59 -22.200 -1.382 4.753 1.00 8.18 O ATOM 944 OE2 GLU A 59 -23.377 0.448 5.066 1.00 8.21 O ATOM 0 H GLU A 59 -19.911 -1.811 9.286 1.00 7.67 H new ATOM 0 HA GLU A 59 -21.170 0.651 8.874 1.00 7.57 H new ATOM 0 HB2 GLU A 59 -19.865 -0.942 7.276 1.00 7.00 H new ATOM 0 HB3 GLU A 59 -21.404 -1.748 7.043 1.00 7.00 H new ATOM 0 HG2 GLU A 59 -21.705 1.135 6.758 1.00 7.53 H new ATOM 0 HG3 GLU A 59 -20.440 0.539 5.702 1.00 7.53 H new ATOM 951 N ASN A 60 -23.162 -1.753 9.632 1.00 7.05 N ATOM 952 CA ASN A 60 -24.546 -2.104 9.899 1.00 7.00 C ATOM 953 C ASN A 60 -25.317 -0.892 10.419 1.00 7.81 C ATOM 954 O ASN A 60 -26.535 -0.803 10.267 1.00 8.02 O ATOM 955 CB ASN A 60 -24.621 -3.250 10.909 1.00 6.61 C ATOM 956 CG ASN A 60 -24.743 -4.605 10.237 1.00 6.42 C ATOM 957 OD1 ASN A 60 -24.117 -4.858 9.207 1.00 6.63 O ATOM 958 ND2 ASN A 60 -25.551 -5.483 10.817 1.00 6.34 N ATOM 0 H ASN A 60 -22.478 -2.397 10.029 1.00 7.05 H new ATOM 0 HA ASN A 60 -25.002 -2.431 8.965 1.00 7.00 H new ATOM 0 HB2 ASN A 60 -23.729 -3.237 11.536 1.00 6.61 H new ATOM 0 HB3 ASN A 60 -25.476 -3.095 11.567 1.00 6.61 H new ATOM 0 HD21 ASN A 60 -25.673 -6.410 10.410 1.00 6.34 H new ATOM 0 HD22 ASN A 60 -26.050 -5.231 11.670 1.00 6.34 H new ATOM 965 N GLN A 61 -24.590 0.043 11.032 1.00 8.43 N ATOM 966 CA GLN A 61 -25.189 1.256 11.575 1.00 9.43 C ATOM 967 C GLN A 61 -26.062 0.930 12.779 1.00 9.62 C ATOM 968 O GLN A 61 -27.284 1.073 12.734 1.00 10.23 O ATOM 969 CB GLN A 61 -26.012 1.974 10.502 1.00 9.93 C ATOM 970 CG GLN A 61 -25.963 3.489 10.610 1.00 10.64 C ATOM 971 CD GLN A 61 -26.341 3.988 11.991 1.00 11.22 C ATOM 972 OE1 GLN A 61 -27.505 4.284 12.260 1.00 11.35 O ATOM 973 NE2 GLN A 61 -25.356 4.083 12.876 1.00 11.77 N ATOM 0 H GLN A 61 -23.581 -0.020 11.164 1.00 8.43 H new ATOM 0 HA GLN A 61 -24.386 1.918 11.899 1.00 9.43 H new ATOM 0 HB2 GLN A 61 -25.649 1.676 9.518 1.00 9.93 H new ATOM 0 HB3 GLN A 61 -27.049 1.646 10.572 1.00 9.93 H new ATOM 0 HG2 GLN A 61 -24.959 3.835 10.365 1.00 10.64 H new ATOM 0 HG3 GLN A 61 -26.638 3.924 9.873 1.00 10.64 H new ATOM 0 HE21 GLN A 61 -24.405 3.827 12.610 1.00 11.77 H new ATOM 0 HE22 GLN A 61 -25.550 4.412 13.822 1.00 11.77 H new ATOM 982 N ALA A 62 -25.424 0.486 13.856 1.00 9.29 N ATOM 983 CA ALA A 62 -26.139 0.132 15.073 1.00 9.67 C ATOM 984 C ALA A 62 -25.243 0.295 16.301 1.00 9.46 C ATOM 985 O ALA A 62 -24.103 -0.170 16.309 1.00 8.86 O ATOM 986 CB ALA A 62 -26.653 -1.294 14.971 1.00 9.73 C ATOM 0 H ALA A 62 -24.413 0.363 13.910 1.00 9.29 H new ATOM 0 HA ALA A 62 -26.987 0.807 15.188 1.00 9.67 H new ATOM 0 HB1 ALA A 62 -27.188 -1.554 15.885 1.00 9.73 H new ATOM 0 HB2 ALA A 62 -27.328 -1.377 14.119 1.00 9.73 H new ATOM 0 HB3 ALA A 62 -25.813 -1.975 14.836 1.00 9.73 H new ATOM 992 N PRO A 63 -25.740 0.964 17.360 1.00 10.16 N ATOM 993 CA PRO A 63 -24.963 1.183 18.585 1.00 10.33 C ATOM 994 C PRO A 63 -24.601 -0.124 19.287 1.00 10.09 C ATOM 995 O PRO A 63 -23.450 -0.558 19.252 1.00 9.97 O ATOM 996 CB PRO A 63 -25.885 2.040 19.466 1.00 11.39 C ATOM 997 CG PRO A 63 -26.924 2.580 18.542 1.00 11.71 C ATOM 998 CD PRO A 63 -27.081 1.564 17.449 1.00 11.06 C ATOM 0 HA PRO A 63 -24.007 1.662 18.373 1.00 10.33 H new ATOM 0 HB2 PRO A 63 -26.336 1.444 20.259 1.00 11.39 H new ATOM 0 HB3 PRO A 63 -25.331 2.845 19.948 1.00 11.39 H new ATOM 0 HG2 PRO A 63 -27.867 2.737 19.066 1.00 11.71 H new ATOM 0 HG3 PRO A 63 -26.620 3.545 18.136 1.00 11.71 H new ATOM 0 HD2 PRO A 63 -27.840 0.821 17.694 1.00 11.06 H new ATOM 0 HD3 PRO A 63 -27.380 2.026 16.508 1.00 11.06 H new ATOM 1006 N ALA A 64 -25.590 -0.754 19.913 1.00 10.24 N ATOM 1007 CA ALA A 64 -25.372 -2.016 20.609 1.00 10.26 C ATOM 1008 C ALA A 64 -26.632 -2.881 20.578 1.00 9.61 C ATOM 1009 O ALA A 64 -27.078 -3.379 21.612 1.00 9.55 O ATOM 1010 CB ALA A 64 -24.938 -1.758 22.044 1.00 11.22 C ATOM 0 H ALA A 64 -26.550 -0.411 19.952 1.00 10.24 H new ATOM 0 HA ALA A 64 -24.578 -2.558 20.095 1.00 10.26 H new ATOM 0 HB1 ALA A 64 -24.779 -2.709 22.552 1.00 11.22 H new ATOM 0 HB2 ALA A 64 -24.011 -1.185 22.046 1.00 11.22 H new ATOM 0 HB3 ALA A 64 -25.713 -1.195 22.563 1.00 11.22 H new ATOM 1016 N PRO A 65 -27.230 -3.069 19.386 1.00 9.35 N ATOM 1017 CA PRO A 65 -28.435 -3.860 19.212 1.00 9.01 C ATOM 1018 C PRO A 65 -28.133 -5.292 18.776 1.00 8.36 C ATOM 1019 O PRO A 65 -28.384 -6.242 19.517 1.00 8.65 O ATOM 1020 CB PRO A 65 -29.164 -3.097 18.103 1.00 9.05 C ATOM 1021 CG PRO A 65 -28.101 -2.334 17.359 1.00 9.62 C ATOM 1022 CD PRO A 65 -26.798 -2.523 18.098 1.00 9.70 C ATOM 0 HA PRO A 65 -29.006 -3.969 20.134 1.00 9.01 H new ATOM 0 HB2 PRO A 65 -29.690 -3.782 17.438 1.00 9.05 H new ATOM 0 HB3 PRO A 65 -29.911 -2.421 18.520 1.00 9.05 H new ATOM 0 HG2 PRO A 65 -28.016 -2.697 16.335 1.00 9.62 H new ATOM 0 HG3 PRO A 65 -28.358 -1.276 17.302 1.00 9.62 H new ATOM 0 HD2 PRO A 65 -26.131 -3.206 17.573 1.00 9.70 H new ATOM 0 HD3 PRO A 65 -26.261 -1.582 18.218 1.00 9.70 H new ATOM 1030 N ASN A 66 -27.586 -5.439 17.570 1.00 7.76 N ATOM 1031 CA ASN A 66 -27.243 -6.752 17.039 1.00 7.41 C ATOM 1032 C ASN A 66 -25.976 -7.272 17.705 1.00 7.63 C ATOM 1033 O ASN A 66 -25.852 -8.463 17.991 1.00 7.96 O ATOM 1034 CB ASN A 66 -27.040 -6.688 15.521 1.00 7.04 C ATOM 1035 CG ASN A 66 -27.972 -5.700 14.842 1.00 6.80 C ATOM 1036 OD1 ASN A 66 -29.126 -5.543 15.239 1.00 7.18 O ATOM 1037 ND2 ASN A 66 -27.472 -5.029 13.809 1.00 6.49 N ATOM 0 H ASN A 66 -27.372 -4.663 16.944 1.00 7.76 H new ATOM 0 HA ASN A 66 -28.068 -7.432 17.252 1.00 7.41 H new ATOM 0 HB2 ASN A 66 -26.007 -6.411 15.309 1.00 7.04 H new ATOM 0 HB3 ASN A 66 -27.197 -7.679 15.096 1.00 7.04 H new ATOM 0 HD21 ASN A 66 -28.051 -4.352 13.312 1.00 6.49 H new ATOM 0 HD22 ASN A 66 -26.509 -5.191 13.514 1.00 6.49 H new ATOM 1044 N ILE A 67 -25.038 -6.364 17.951 1.00 7.78 N ATOM 1045 CA ILE A 67 -23.777 -6.717 18.587 1.00 8.32 C ATOM 1046 C ILE A 67 -23.308 -5.583 19.512 1.00 8.19 C ATOM 1047 O ILE A 67 -24.071 -5.133 20.367 1.00 8.28 O ATOM 1048 CB ILE A 67 -22.695 -7.055 17.534 1.00 8.99 C ATOM 1049 CG1 ILE A 67 -23.303 -7.855 16.379 1.00 9.35 C ATOM 1050 CG2 ILE A 67 -21.556 -7.835 18.175 1.00 9.32 C ATOM 1051 CD1 ILE A 67 -22.318 -8.165 15.274 1.00 9.96 C ATOM 0 H ILE A 67 -25.129 -5.375 17.718 1.00 7.78 H new ATOM 0 HA ILE A 67 -23.939 -7.610 19.191 1.00 8.32 H new ATOM 0 HB ILE A 67 -22.297 -6.121 17.137 1.00 8.99 H new ATOM 0 HG12 ILE A 67 -23.706 -8.790 16.768 1.00 9.35 H new ATOM 0 HG13 ILE A 67 -24.140 -7.296 15.962 1.00 9.35 H new ATOM 0 HG21 ILE A 67 -20.803 -8.065 17.421 1.00 9.32 H new ATOM 0 HG22 ILE A 67 -21.106 -7.237 18.967 1.00 9.32 H new ATOM 0 HG23 ILE A 67 -21.943 -8.763 18.597 1.00 9.32 H new ATOM 0 HD11 ILE A 67 -22.818 -8.734 14.490 1.00 9.96 H new ATOM 0 HD12 ILE A 67 -21.933 -7.234 14.858 1.00 9.96 H new ATOM 0 HD13 ILE A 67 -21.492 -8.751 15.677 1.00 9.96 H new ATOM 1063 N THR A 68 -22.066 -5.117 19.354 1.00 8.29 N ATOM 1064 CA THR A 68 -21.551 -4.042 20.194 1.00 8.51 C ATOM 1065 C THR A 68 -20.352 -3.359 19.541 1.00 8.55 C ATOM 1066 O THR A 68 -19.477 -2.831 20.227 1.00 8.72 O ATOM 1067 CB THR A 68 -21.164 -4.578 21.571 1.00 9.10 C ATOM 1068 OG1 THR A 68 -21.479 -5.955 21.684 1.00 9.35 O ATOM 1069 CG2 THR A 68 -21.850 -3.853 22.709 1.00 9.41 C ATOM 0 H THR A 68 -21.407 -5.466 18.658 1.00 8.29 H new ATOM 0 HA THR A 68 -22.343 -3.302 20.312 1.00 8.51 H new ATOM 0 HB THR A 68 -20.089 -4.414 21.652 1.00 9.10 H new ATOM 0 HG1 THR A 68 -22.148 -6.081 22.389 1.00 9.35 H new ATOM 0 HG21 THR A 68 -21.531 -4.283 23.659 1.00 9.41 H new ATOM 0 HG22 THR A 68 -21.583 -2.797 22.681 1.00 9.41 H new ATOM 0 HG23 THR A 68 -22.930 -3.957 22.608 1.00 9.41 H new ATOM 1077 N GLY A 69 -20.322 -3.368 18.212 1.00 8.68 N ATOM 1078 CA GLY A 69 -19.229 -2.741 17.492 1.00 9.01 C ATOM 1079 C GLY A 69 -18.068 -3.684 17.245 1.00 9.05 C ATOM 1080 O GLY A 69 -17.845 -4.121 16.116 1.00 9.23 O ATOM 0 H GLY A 69 -21.034 -3.798 17.622 1.00 8.68 H new ATOM 0 HA2 GLY A 69 -19.597 -2.368 16.536 1.00 9.01 H new ATOM 0 HA3 GLY A 69 -18.876 -1.878 18.057 1.00 9.01 H new ATOM 1084 N ALA A 70 -17.320 -3.992 18.301 1.00 9.15 N ATOM 1085 CA ALA A 70 -16.170 -4.883 18.186 1.00 9.45 C ATOM 1086 C ALA A 70 -16.316 -6.103 19.089 1.00 9.53 C ATOM 1087 O ALA A 70 -16.381 -5.980 20.312 1.00 9.64 O ATOM 1088 CB ALA A 70 -14.890 -4.131 18.517 1.00 9.90 C ATOM 0 H ALA A 70 -17.489 -3.639 19.243 1.00 9.15 H new ATOM 0 HA ALA A 70 -16.121 -5.236 17.156 1.00 9.45 H new ATOM 0 HB1 ALA A 70 -14.038 -4.805 18.428 1.00 9.90 H new ATOM 0 HB2 ALA A 70 -14.768 -3.299 17.824 1.00 9.90 H new ATOM 0 HB3 ALA A 70 -14.946 -3.749 19.536 1.00 9.90 H new ATOM 1094 N LEU A 71 -16.358 -7.282 18.474 1.00 9.72 N ATOM 1095 CA LEU A 71 -16.487 -8.536 19.211 1.00 10.05 C ATOM 1096 C LEU A 71 -17.838 -8.626 19.917 1.00 10.32 C ATOM 1097 O LEU A 71 -18.711 -9.390 19.505 1.00 10.60 O ATOM 1098 CB LEU A 71 -15.350 -8.680 20.227 1.00 10.35 C ATOM 1099 CG LEU A 71 -13.987 -8.174 19.752 1.00 10.80 C ATOM 1100 CD1 LEU A 71 -12.920 -8.448 20.800 1.00 10.93 C ATOM 1101 CD2 LEU A 71 -13.612 -8.818 18.426 1.00 11.12 C ATOM 0 H LEU A 71 -16.304 -7.395 17.462 1.00 9.72 H new ATOM 0 HA LEU A 71 -16.424 -9.353 18.492 1.00 10.05 H new ATOM 0 HB2 LEU A 71 -15.624 -8.142 21.134 1.00 10.35 H new ATOM 0 HB3 LEU A 71 -15.256 -9.732 20.497 1.00 10.35 H new ATOM 0 HG LEU A 71 -14.053 -7.096 19.604 1.00 10.80 H new ATOM 0 HD11 LEU A 71 -11.957 -8.081 20.444 1.00 10.93 H new ATOM 0 HD12 LEU A 71 -13.182 -7.939 21.728 1.00 10.93 H new ATOM 0 HD13 LEU A 71 -12.855 -9.521 20.981 1.00 10.93 H new ATOM 0 HD21 LEU A 71 -12.639 -8.446 18.103 1.00 11.12 H new ATOM 0 HD22 LEU A 71 -13.565 -9.900 18.548 1.00 11.12 H new ATOM 0 HD23 LEU A 71 -14.363 -8.570 17.676 1.00 11.12 H new ATOM 1113 N GLU A 72 -18.006 -7.846 20.981 1.00 10.45 N ATOM 1114 CA GLU A 72 -19.253 -7.846 21.739 1.00 10.91 C ATOM 1115 C GLU A 72 -19.184 -6.858 22.900 1.00 11.16 C ATOM 1116 O GLU A 72 -18.209 -6.121 23.044 1.00 11.04 O ATOM 1117 CB GLU A 72 -19.556 -9.252 22.265 1.00 11.12 C ATOM 1118 CG GLU A 72 -20.568 -10.011 21.422 1.00 11.34 C ATOM 1119 CD GLU A 72 -21.577 -10.768 22.263 1.00 11.94 C ATOM 1120 OE1 GLU A 72 -21.933 -10.273 23.353 1.00 12.20 O ATOM 1121 OE2 GLU A 72 -22.013 -11.856 21.831 1.00 12.33 O ATOM 0 H GLU A 72 -17.295 -7.207 21.337 1.00 10.45 H new ATOM 0 HA GLU A 72 -20.056 -7.536 21.070 1.00 10.91 H new ATOM 0 HB2 GLU A 72 -18.629 -9.823 22.306 1.00 11.12 H new ATOM 0 HB3 GLU A 72 -19.930 -9.176 23.286 1.00 11.12 H new ATOM 0 HG2 GLU A 72 -21.094 -9.310 20.774 1.00 11.34 H new ATOM 0 HG3 GLU A 72 -20.042 -10.712 20.774 1.00 11.34 H new ATOM 1128 N THR A 73 -20.227 -6.850 23.725 1.00 11.73 N ATOM 1129 CA THR A 73 -20.288 -5.954 24.873 1.00 12.21 C ATOM 1130 C THR A 73 -19.174 -6.266 25.867 1.00 12.73 C ATOM 1131 O THR A 73 -18.515 -7.302 25.770 1.00 12.94 O ATOM 1132 CB THR A 73 -21.649 -6.068 25.561 1.00 12.63 C ATOM 1133 OG1 THR A 73 -21.754 -5.141 26.628 1.00 12.90 O ATOM 1134 CG2 THR A 73 -21.922 -7.448 26.121 1.00 12.65 C ATOM 0 H THR A 73 -21.041 -7.455 23.619 1.00 11.73 H new ATOM 0 HA THR A 73 -20.154 -4.933 24.515 1.00 12.21 H new ATOM 0 HB THR A 73 -22.383 -5.857 24.784 1.00 12.63 H new ATOM 0 HG1 THR A 73 -22.633 -5.230 27.053 1.00 12.90 H new ATOM 0 HG21 THR A 73 -22.903 -7.461 26.595 1.00 12.65 H new ATOM 0 HG22 THR A 73 -21.900 -8.179 25.313 1.00 12.65 H new ATOM 0 HG23 THR A 73 -21.159 -7.699 26.858 1.00 12.65 H new ATOM 1142 N GLY A 74 -18.968 -5.364 26.821 1.00 13.13 N ATOM 1143 CA GLY A 74 -17.933 -5.563 27.819 1.00 13.79 C ATOM 1144 C GLY A 74 -18.161 -6.811 28.649 1.00 14.16 C ATOM 1145 O GLY A 74 -18.731 -6.745 29.738 1.00 14.33 O ATOM 0 H GLY A 74 -19.499 -4.499 26.921 1.00 13.13 H new ATOM 0 HA2 GLY A 74 -16.964 -5.631 27.325 1.00 13.79 H new ATOM 0 HA3 GLY A 74 -17.895 -4.695 28.477 1.00 13.79 H new ATOM 1149 N ILE A 75 -17.713 -7.951 28.134 1.00 14.47 N ATOM 1150 CA ILE A 75 -17.870 -9.220 28.834 1.00 15.01 C ATOM 1151 C ILE A 75 -16.516 -9.815 29.204 1.00 15.34 C ATOM 1152 O ILE A 75 -15.636 -9.956 28.356 1.00 15.43 O ATOM 1153 CB ILE A 75 -18.652 -10.240 27.983 1.00 15.50 C ATOM 1154 CG1 ILE A 75 -17.924 -10.506 26.662 1.00 15.67 C ATOM 1155 CG2 ILE A 75 -20.066 -9.741 27.726 1.00 15.78 C ATOM 1156 CD1 ILE A 75 -17.282 -11.875 26.591 1.00 15.79 C ATOM 0 H ILE A 75 -17.238 -8.022 27.234 1.00 14.47 H new ATOM 0 HA ILE A 75 -18.433 -9.011 29.744 1.00 15.01 H new ATOM 0 HB ILE A 75 -18.713 -11.178 28.534 1.00 15.50 H new ATOM 0 HG12 ILE A 75 -18.631 -10.402 25.839 1.00 15.67 H new ATOM 0 HG13 ILE A 75 -17.156 -9.746 26.520 1.00 15.67 H new ATOM 0 HG21 ILE A 75 -20.606 -10.472 27.124 1.00 15.78 H new ATOM 0 HG22 ILE A 75 -20.581 -9.602 28.676 1.00 15.78 H new ATOM 0 HG23 ILE A 75 -20.025 -8.791 27.193 1.00 15.78 H new ATOM 0 HD11 ILE A 75 -16.785 -11.994 25.628 1.00 15.79 H new ATOM 0 HD12 ILE A 75 -16.550 -11.976 27.392 1.00 15.79 H new ATOM 0 HD13 ILE A 75 -18.048 -12.642 26.701 1.00 15.79 H new ATOM 1168 N GLU A 76 -16.356 -10.161 30.477 1.00 15.69 N ATOM 1169 CA GLU A 76 -15.107 -10.739 30.960 1.00 16.19 C ATOM 1170 C GLU A 76 -15.207 -12.259 31.045 1.00 16.58 C ATOM 1171 O GLU A 76 -14.603 -12.882 31.918 1.00 16.65 O ATOM 1172 CB GLU A 76 -14.751 -10.162 32.331 1.00 16.40 C ATOM 1173 CG GLU A 76 -14.636 -8.646 32.341 1.00 16.67 C ATOM 1174 CD GLU A 76 -13.337 -8.154 31.730 1.00 17.02 C ATOM 1175 OE1 GLU A 76 -12.649 -8.960 31.069 1.00 17.12 O ATOM 1176 OE2 GLU A 76 -13.010 -6.963 31.912 1.00 17.33 O ATOM 0 H GLU A 76 -17.075 -10.051 31.192 1.00 15.69 H new ATOM 0 HA GLU A 76 -14.320 -10.484 30.251 1.00 16.19 H new ATOM 0 HB2 GLU A 76 -15.510 -10.465 33.052 1.00 16.40 H new ATOM 0 HB3 GLU A 76 -13.806 -10.592 32.663 1.00 16.40 H new ATOM 0 HG2 GLU A 76 -15.476 -8.218 31.793 1.00 16.67 H new ATOM 0 HG3 GLU A 76 -14.709 -8.287 33.368 1.00 16.67 H new ATOM 1183 N LEU A 77 -15.973 -12.849 30.133 1.00 16.97 N ATOM 1184 CA LEU A 77 -16.150 -14.297 30.105 1.00 17.52 C ATOM 1185 C LEU A 77 -14.810 -15.007 29.930 1.00 17.81 C ATOM 1186 O LEU A 77 -14.645 -16.153 30.347 1.00 17.95 O ATOM 1187 CB LEU A 77 -17.102 -14.694 28.975 1.00 17.74 C ATOM 1188 CG LEU A 77 -17.900 -15.976 29.222 1.00 18.15 C ATOM 1189 CD1 LEU A 77 -19.281 -15.648 29.769 1.00 18.41 C ATOM 1190 CD2 LEU A 77 -18.012 -16.790 27.941 1.00 18.33 C ATOM 0 H LEU A 77 -16.481 -12.348 29.404 1.00 16.97 H new ATOM 0 HA LEU A 77 -16.581 -14.603 31.058 1.00 17.52 H new ATOM 0 HB2 LEU A 77 -17.802 -13.876 28.805 1.00 17.74 H new ATOM 0 HB3 LEU A 77 -16.524 -14.815 28.059 1.00 17.74 H new ATOM 0 HG LEU A 77 -17.370 -16.574 29.964 1.00 18.15 H new ATOM 0 HD11 LEU A 77 -19.834 -16.572 29.938 1.00 18.41 H new ATOM 0 HD12 LEU A 77 -19.181 -15.107 30.710 1.00 18.41 H new ATOM 0 HD13 LEU A 77 -19.819 -15.029 29.051 1.00 18.41 H new ATOM 0 HD21 LEU A 77 -18.583 -17.698 28.136 1.00 18.33 H new ATOM 0 HD22 LEU A 77 -18.519 -16.199 27.178 1.00 18.33 H new ATOM 0 HD23 LEU A 77 -17.015 -17.056 27.591 1.00 18.33 H new ATOM 1202 N ILE A 78 -13.856 -14.317 29.311 1.00 18.04 N ATOM 1203 CA ILE A 78 -12.531 -14.882 29.082 1.00 18.47 C ATOM 1204 C ILE A 78 -11.714 -14.942 30.373 1.00 18.90 C ATOM 1205 O ILE A 78 -10.624 -15.513 30.398 1.00 19.10 O ATOM 1206 CB ILE A 78 -11.749 -14.067 28.034 1.00 18.77 C ATOM 1207 CG1 ILE A 78 -11.598 -12.615 28.492 1.00 18.84 C ATOM 1208 CG2 ILE A 78 -12.448 -14.132 26.684 1.00 19.04 C ATOM 1209 CD1 ILE A 78 -10.723 -11.782 27.580 1.00 19.21 C ATOM 0 H ILE A 78 -13.976 -13.367 28.960 1.00 18.04 H new ATOM 0 HA ILE A 78 -12.685 -15.895 28.711 1.00 18.47 H new ATOM 0 HB ILE A 78 -10.754 -14.499 27.928 1.00 18.77 H new ATOM 0 HG12 ILE A 78 -12.585 -12.157 28.553 1.00 18.84 H new ATOM 0 HG13 ILE A 78 -11.178 -12.601 29.498 1.00 18.84 H new ATOM 0 HG21 ILE A 78 -11.884 -13.552 25.954 1.00 19.04 H new ATOM 0 HG22 ILE A 78 -12.508 -15.169 26.355 1.00 19.04 H new ATOM 0 HG23 ILE A 78 -13.454 -13.722 26.775 1.00 19.04 H new ATOM 0 HD11 ILE A 78 -10.661 -10.764 27.966 1.00 19.21 H new ATOM 0 HD12 ILE A 78 -9.724 -12.216 27.538 1.00 19.21 H new ATOM 0 HD13 ILE A 78 -11.153 -11.765 26.579 1.00 19.21 H new ATOM 1221 N LYS A 79 -12.244 -14.351 31.443 1.00 19.18 N ATOM 1222 CA LYS A 79 -11.557 -14.342 32.732 1.00 19.74 C ATOM 1223 C LYS A 79 -10.301 -13.480 32.672 1.00 20.25 C ATOM 1224 O LYS A 79 -9.276 -13.815 33.268 1.00 20.39 O ATOM 1225 CB LYS A 79 -11.195 -15.768 33.156 1.00 19.98 C ATOM 1226 CG LYS A 79 -12.346 -16.752 33.030 1.00 20.01 C ATOM 1227 CD LYS A 79 -13.438 -16.465 34.047 1.00 20.30 C ATOM 1228 CE LYS A 79 -14.420 -15.425 33.532 1.00 20.55 C ATOM 1229 NZ LYS A 79 -15.814 -15.710 33.971 1.00 20.56 N ATOM 0 H LYS A 79 -13.145 -13.873 31.442 1.00 19.18 H new ATOM 0 HA LYS A 79 -12.234 -13.915 33.472 1.00 19.74 H new ATOM 0 HB2 LYS A 79 -10.361 -16.118 32.548 1.00 19.98 H new ATOM 0 HB3 LYS A 79 -10.852 -15.754 34.190 1.00 19.98 H new ATOM 0 HG2 LYS A 79 -12.762 -16.700 32.024 1.00 20.01 H new ATOM 0 HG3 LYS A 79 -11.975 -17.767 33.170 1.00 20.01 H new ATOM 0 HD2 LYS A 79 -13.971 -17.387 34.280 1.00 20.30 H new ATOM 0 HD3 LYS A 79 -12.988 -16.114 34.976 1.00 20.30 H new ATOM 0 HE2 LYS A 79 -14.123 -14.438 33.887 1.00 20.55 H new ATOM 0 HE3 LYS A 79 -14.381 -15.397 32.443 1.00 20.55 H new ATOM 0 HZ1 LYS A 79 -16.452 -14.978 33.599 1.00 20.56 H new ATOM 0 HZ2 LYS A 79 -16.108 -16.641 33.611 1.00 20.56 H new ATOM 0 HZ3 LYS A 79 -15.857 -15.711 35.010 1.00 20.56 H new ATOM 1243 N HIS A 80 -10.387 -12.367 31.951 1.00 20.64 N ATOM 1244 CA HIS A 80 -9.259 -11.454 31.814 1.00 21.27 C ATOM 1245 C HIS A 80 -9.540 -10.133 32.523 1.00 21.72 C ATOM 1246 O HIS A 80 -9.059 -9.079 32.108 1.00 21.78 O ATOM 1247 CB HIS A 80 -8.959 -11.199 30.336 1.00 21.36 C ATOM 1248 CG HIS A 80 -7.718 -10.394 30.107 1.00 21.60 C ATOM 1249 ND1 HIS A 80 -6.473 -10.784 30.554 1.00 21.73 N ATOM 1250 CD2 HIS A 80 -7.533 -9.211 29.472 1.00 21.85 C ATOM 1251 CE1 HIS A 80 -5.578 -9.878 30.205 1.00 22.06 C ATOM 1252 NE2 HIS A 80 -6.195 -8.914 29.548 1.00 22.13 N ATOM 0 H HIS A 80 -11.228 -12.076 31.452 1.00 20.64 H new ATOM 0 HA HIS A 80 -8.389 -11.918 32.279 1.00 21.27 H new ATOM 0 HB2 HIS A 80 -8.861 -12.156 29.823 1.00 21.36 H new ATOM 0 HB3 HIS A 80 -9.806 -10.681 29.886 1.00 21.36 H new ATOM 0 HD2 HIS A 80 -8.296 -8.614 28.995 1.00 21.85 H new ATOM 0 HE1 HIS A 80 -4.521 -9.919 30.421 1.00 22.06 H new ATOM 0 HE2 HIS A 80 -5.750 -8.083 29.159 1.00 22.13 H new ATOM 1261 N LEU A 81 -10.324 -10.199 33.595 1.00 22.16 N ATOM 1262 CA LEU A 81 -10.670 -9.008 34.363 1.00 22.74 C ATOM 1263 C LEU A 81 -9.523 -8.599 35.280 1.00 22.93 C ATOM 1264 O LEU A 81 -9.104 -9.369 36.145 1.00 23.05 O ATOM 1265 CB LEU A 81 -11.935 -9.259 35.188 1.00 23.19 C ATOM 1266 CG LEU A 81 -12.424 -8.060 36.002 1.00 23.39 C ATOM 1267 CD1 LEU A 81 -13.358 -7.195 35.170 1.00 23.68 C ATOM 1268 CD2 LEU A 81 -13.119 -8.529 37.272 1.00 23.50 C ATOM 0 H LEU A 81 -10.731 -11.064 33.951 1.00 22.16 H new ATOM 0 HA LEU A 81 -10.857 -8.195 33.662 1.00 22.74 H new ATOM 0 HB2 LEU A 81 -12.733 -9.572 34.515 1.00 23.19 H new ATOM 0 HB3 LEU A 81 -11.748 -10.089 35.869 1.00 23.19 H new ATOM 0 HG LEU A 81 -11.560 -7.458 36.284 1.00 23.39 H new ATOM 0 HD11 LEU A 81 -13.696 -6.347 35.766 1.00 23.68 H new ATOM 0 HD12 LEU A 81 -12.829 -6.832 34.289 1.00 23.68 H new ATOM 0 HD13 LEU A 81 -14.220 -7.785 34.858 1.00 23.68 H new ATOM 0 HD21 LEU A 81 -13.461 -7.664 37.840 1.00 23.50 H new ATOM 0 HD22 LEU A 81 -13.974 -9.152 37.010 1.00 23.50 H new ATOM 0 HD23 LEU A 81 -12.420 -9.107 37.877 1.00 23.50 H new ATOM 1280 N VAL A 82 -9.020 -7.381 35.083 1.00 23.07 N ATOM 1281 CA VAL A 82 -7.918 -6.854 35.887 1.00 23.38 C ATOM 1282 C VAL A 82 -6.831 -7.902 36.112 1.00 23.73 C ATOM 1283 O VAL A 82 -6.774 -8.872 35.327 1.00 23.99 O ATOM 1284 CB VAL A 82 -8.412 -6.338 37.253 1.00 23.75 C ATOM 1285 CG1 VAL A 82 -9.380 -5.180 37.069 1.00 23.95 C ATOM 1286 CG2 VAL A 82 -9.059 -7.460 38.052 1.00 23.72 C ATOM 1287 OXT VAL A 82 -6.046 -7.744 37.071 1.00 23.83 O ATOM 0 H VAL A 82 -9.361 -6.737 34.369 1.00 23.07 H new ATOM 0 HA VAL A 82 -7.496 -6.023 35.322 1.00 23.38 H new ATOM 0 HB VAL A 82 -7.550 -5.977 37.814 1.00 23.75 H new ATOM 0 HG11 VAL A 82 -9.718 -4.830 38.044 1.00 23.95 H new ATOM 0 HG12 VAL A 82 -8.879 -4.366 36.545 1.00 23.95 H new ATOM 0 HG13 VAL A 82 -10.239 -5.513 36.486 1.00 23.95 H new ATOM 0 HG21 VAL A 82 -9.400 -7.073 39.012 1.00 23.72 H new ATOM 0 HG22 VAL A 82 -9.909 -7.857 37.498 1.00 23.72 H new ATOM 0 HG23 VAL A 82 -8.331 -8.254 38.219 1.00 23.72 H new TER 1297 VAL A 82 END