USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) HEADER CHEMOTAXIS 06-FEB-96 1FWP TITLE CHEY-BINDING DOMAIN OF CHEA (RESIDUES 159-227), NMR, TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHEA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CHEY-BINDING DOMAIN, RESIDUES 159 - 227; COMPND 5 SYNONYM: P2 DOMAIN OF CHEA; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: CHEA (RESIDUES 124-257); SOURCE 5 EXPRESSION_SYSTEM: TAC PROMOTER; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PTM22; SOURCE 7 EXPRESSION_SYSTEM_GENE: CHEA (RESIDUES 124-257) KEYWDS KINASE, SIGNAL TRANSDUCTION, CHEMOTAXIS EXPDTA SOLUTION NMR AUTHOR M.M.MCEVOY,F.W.DAHLQUIST REVDAT 3 24-FEB-09 1FWP 1 VERSN REVDAT 2 01-APR-03 1FWP 1 JRNL REVDAT 1 11-JUL-96 1FWP 0 JRNL AUTH M.M.MCEVOY,D.R.MUHANDIRAM,L.E.KAY,F.W.DAHLQUIST JRNL TITL STRUCTURE AND DYNAMICS OF A CHEY-BINDING DOMAIN OF JRNL TITL 2 THE CHEMOTAXIS KINASE CHEA DETERMINED BY NUCLEAR JRNL TITL 3 MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 35 5633 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8639521 JRNL DOI 10.1021/BI952707H REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.M.MCEVOY,H.ZHOU,A.F.ROTH,D.F.LOWRY,T.B.MORRISON, REMARK 1 AUTH 2 L.E.KAY,F.W.DAHLQUIST REMARK 1 TITL NUCLEAR MAGNETIC RESONANCE ASSIGNMENTS AND GLOBAL REMARK 1 TITL 2 FOLD OF A CHEY-BINDING DOMAIN IN CHEA, THE REMARK 1 TITL 3 CHEMOTAXIS-SPECIFIC KINASE OF ESCHERICHIA COLI REMARK 1 REF BIOCHEMISTRY V. 34 13871 1995 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FWP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ARG A -34 REMARK 465 GLN A -33 REMARK 465 LEU A -32 REMARK 465 ALA A -31 REMARK 465 LEU A -30 REMARK 465 GLU A -29 REMARK 465 ALA A -28 REMARK 465 LYS A -27 REMARK 465 GLY A -26 REMARK 465 GLU A -25 REMARK 465 THR A -24 REMARK 465 PRO A -23 REMARK 465 SER A -22 REMARK 465 ALA A -21 REMARK 465 VAL A -20 REMARK 465 THR A -19 REMARK 465 ARG A -18 REMARK 465 LEU A -17 REMARK 465 SER A -16 REMARK 465 VAL A -15 REMARK 465 VAL A -14 REMARK 465 ALA A -13 REMARK 465 LYS A -12 REMARK 465 SER A -11 REMARK 465 GLU A -10 REMARK 465 PRO A -9 REMARK 465 GLN A -8 REMARK 465 ASP A -7 REMARK 465 GLU A -6 REMARK 465 GLN A -5 REMARK 465 SER A -4 REMARK 465 ARG A -3 REMARK 465 SER A -2 REMARK 465 GLN A -1 REMARK 465 SER A 0 REMARK 465 VAL A 70 REMARK 465 SER A 71 REMARK 465 PRO A 72 REMARK 465 LYS A 73 REMARK 465 ILE A 74 REMARK 465 SER A 75 REMARK 465 THR A 76 REMARK 465 PRO A 77 REMARK 465 PRO A 78 REMARK 465 VAL A 79 REMARK 465 LEU A 80 REMARK 465 LYS A 81 REMARK 465 LEU A 82 REMARK 465 ALA A 83 REMARK 465 ALA A 84 REMARK 465 GLU A 85 REMARK 465 GLN A 86 REMARK 465 ALA A 87 REMARK 465 PRO A 88 REMARK 465 THR A 89 REMARK 465 GLY A 90 REMARK 465 ARG A 91 REMARK 465 VAL A 92 REMARK 465 GLU A 93 REMARK 465 ARG A 94 REMARK 465 GLU A 95 REMARK 465 LYS A 96 REMARK 465 THR A 97 REMARK 465 THR A 98 REMARK 465 ARG A 99 REMARK 465 ILE A 100 REMARK 465 LYS A 101 REMARK 465 LEU A 102 REMARK 465 GLY A 103 REMARK 465 THR A 104 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 ARG A 8 -32.48 -171.61 REMARK 500 LEU A 9 -169.84 -61.74 REMARK 500 LYS A 10 -159.09 -128.13 REMARK 500 LEU A 27 -160.42 -56.85 REMARK 500 THR A 28 -42.91 -138.66 REMARK 500 ASP A 29 58.98 -173.47 REMARK 500 ASP A 35 12.85 -140.38 REMARK 500 PRO A 42 -164.46 -77.10 REMARK 500 ASP A 44 36.06 -146.93 REMARK 500 ILE A 45 -154.71 -119.53 REMARK 500 ALA A 46 49.57 -93.36 REMARK 500 ILE A 58 -57.63 -143.83 REMARK 500 GLU A 59 -145.51 -173.52 REMARK 500 ALA A 60 31.57 -147.37 REMARK 500 ASP A 61 15.09 -157.74 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 2 0.31 SIDE_CHAIN REMARK 500 ARG A 3 0.27 SIDE_CHAIN REMARK 500 ARG A 8 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1FWP A -34 104 UNP P07363 CHEA_ECOLI 124 262 SEQADV 1FWP ILE A 100 UNP P07363 SER 258 CONFLICT SEQADV 1FWP LYS A 101 UNP P07363 ASN 259 CONFLICT SEQADV 1FWP LEU A 102 UNP P07363 GLU 260 CONFLICT SEQADV 1FWP GLY A 103 UNP P07363 SER 261 CONFLICT SEQRES 1 A 139 ARG GLN LEU ALA LEU GLU ALA LYS GLY GLU THR PRO SER SEQRES 2 A 139 ALA VAL THR ARG LEU SER VAL VAL ALA LYS SER GLU PRO SEQRES 3 A 139 GLN ASP GLU GLN SER ARG SER GLN SER PRO ARG ARG ILE SEQRES 4 A 139 ILE LEU SER ARG LEU LYS ALA GLY GLU VAL ASP LEU LEU SEQRES 5 A 139 GLU GLU GLU LEU GLY HIS LEU THR THR LEU THR ASP VAL SEQRES 6 A 139 VAL LYS GLY ALA ASP SER LEU SER ALA ILE LEU PRO GLY SEQRES 7 A 139 ASP ILE ALA GLU ASP ASP ILE THR ALA VAL LEU CYS PHE SEQRES 8 A 139 VAL ILE GLU ALA ASP GLN ILE THR PHE GLU THR VAL GLU SEQRES 9 A 139 VAL SER PRO LYS ILE SER THR PRO PRO VAL LEU LYS LEU SEQRES 10 A 139 ALA ALA GLU GLN ALA PRO THR GLY ARG VAL GLU ARG GLU SEQRES 11 A 139 LYS THR THR ARG ILE LYS LEU GLY THR HELIX 1 1 VAL A 14 LEU A 24 1 11 HELIX 2 2 GLU A 47 VAL A 57 1 11 SHEET 1 A 3 SER A 36 LEU A 41 0 SHEET 2 A 3 ARG A 2 SER A 7 -1 N LEU A 6 O LEU A 37 SHEET 3 A 3 ILE A 63 THR A 67 -1 N GLU A 66 O ARG A 3 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.637 X(o=-0.64,f=-0.35) USER MOD Single : A 25 THR OG1 : rot 116:sc= -4.06! USER MOD Single : A 26 THR OG1 : rot 39:sc= 0.29 USER MOD Single : A 28 THR OG1 : rot 21:sc= 0.031 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 38 SER OG : rot 180:sc= -4.85! USER MOD Single : A 51 THR OG1 : rot 3:sc= 0.0995 USER MOD Single : A 55 CYS SG : rot -123:sc= -4.48! USER MOD Single : A 62 GLN : amide:sc= -11.9! C(o=-12!,f=-20!) USER MOD Single : A 64 THR OG1 : rot -34:sc= 0.107! USER MOD Single : A 67 THR OG1 : rot 44:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.337 7.795 -3.714 1.00 0.81 N ATOM 2 CA PRO A 1 -9.886 8.082 -3.500 1.00 0.78 C ATOM 3 C PRO A 1 -9.539 7.666 -2.078 1.00 0.69 C ATOM 4 O PRO A 1 -10.231 8.029 -1.148 1.00 0.89 O ATOM 5 CB PRO A 1 -9.685 9.593 -3.646 1.00 0.85 C ATOM 6 CG PRO A 1 -11.060 10.193 -3.919 1.00 0.85 C ATOM 7 CD PRO A 1 -12.071 9.087 -3.631 1.00 0.81 C ATOM 0 H2 PRO A 1 -11.680 7.142 -3.009 1.00 0.81 H new ATOM 0 H3 PRO A 1 -11.485 7.357 -4.623 1.00 0.81 H new ATOM 0 HA PRO A 1 -9.259 7.547 -4.214 1.00 0.78 H new ATOM 0 HB2 PRO A 1 -9.251 10.015 -2.739 1.00 0.85 H new ATOM 0 HB3 PRO A 1 -8.997 9.815 -4.462 1.00 0.85 H new ATOM 0 HG2 PRO A 1 -11.240 11.060 -3.283 1.00 0.85 H new ATOM 0 HG3 PRO A 1 -11.138 10.533 -4.952 1.00 0.85 H new ATOM 0 HD2 PRO A 1 -12.513 9.216 -2.643 1.00 0.81 H new ATOM 0 HD3 PRO A 1 -12.888 9.114 -4.352 1.00 0.81 H new ATOM 15 N ARG A 2 -8.500 6.910 -1.866 1.00 0.46 N ATOM 16 CA ARG A 2 -8.214 6.525 -0.461 1.00 0.44 C ATOM 17 C ARG A 2 -6.729 6.257 -0.229 1.00 0.36 C ATOM 18 O ARG A 2 -5.934 6.159 -1.142 1.00 0.31 O ATOM 19 CB ARG A 2 -9.037 5.284 -0.071 1.00 0.55 C ATOM 20 CG ARG A 2 -9.228 4.347 -1.266 1.00 0.76 C ATOM 21 CD ARG A 2 -8.391 3.086 -1.051 1.00 0.68 C ATOM 22 NE ARG A 2 -8.885 2.003 -1.946 1.00 0.48 N ATOM 23 CZ ARG A 2 -9.920 1.292 -1.586 1.00 0.81 C ATOM 24 NH1 ARG A 2 -9.796 0.381 -0.660 1.00 1.55 N ATOM 25 NH2 ARG A 2 -11.081 1.499 -2.144 1.00 1.52 N ATOM 0 H ARG A 2 -7.859 6.554 -2.575 1.00 0.46 H new ATOM 0 HA ARG A 2 -8.500 7.367 0.170 1.00 0.44 H new ATOM 0 HB2 ARG A 2 -8.535 4.750 0.736 1.00 0.55 H new ATOM 0 HB3 ARG A 2 -10.010 5.595 0.310 1.00 0.55 H new ATOM 0 HG2 ARG A 2 -10.281 4.086 -1.375 1.00 0.76 H new ATOM 0 HG3 ARG A 2 -8.927 4.846 -2.187 1.00 0.76 H new ATOM 0 HD2 ARG A 2 -7.341 3.294 -1.259 1.00 0.68 H new ATOM 0 HD3 ARG A 2 -8.453 2.769 -0.010 1.00 0.68 H new ATOM 0 HE ARG A 2 -8.418 1.818 -2.834 1.00 0.48 H new ATOM 0 HH11 ARG A 2 -8.891 0.224 -0.217 1.00 1.55 H new ATOM 0 HH12 ARG A 2 -10.604 -0.174 -0.379 1.00 1.55 H new ATOM 0 HH21 ARG A 2 -11.181 2.217 -2.862 1.00 1.52 H new ATOM 0 HH22 ARG A 2 -11.889 0.943 -1.862 1.00 1.52 H new ATOM 39 N ARG A 3 -6.371 6.152 1.020 1.00 0.50 N ATOM 40 CA ARG A 3 -4.958 5.900 1.411 1.00 0.49 C ATOM 41 C ARG A 3 -4.838 4.465 1.915 1.00 0.53 C ATOM 42 O ARG A 3 -5.811 3.827 2.258 1.00 0.81 O ATOM 43 CB ARG A 3 -4.588 6.891 2.530 1.00 0.57 C ATOM 44 CG ARG A 3 -3.367 6.402 3.315 1.00 0.58 C ATOM 45 CD ARG A 3 -2.113 6.579 2.461 1.00 1.09 C ATOM 46 NE ARG A 3 -1.427 7.843 2.851 1.00 1.05 N ATOM 47 CZ ARG A 3 -1.127 8.731 1.942 1.00 1.30 C ATOM 48 NH1 ARG A 3 -2.072 9.276 1.226 1.00 1.90 N ATOM 49 NH2 ARG A 3 0.117 9.073 1.750 1.00 2.02 N ATOM 0 H ARG A 3 -7.017 6.233 1.805 1.00 0.50 H new ATOM 0 HA ARG A 3 -4.285 6.036 0.564 1.00 0.49 H new ATOM 0 HB2 ARG A 3 -4.379 7.870 2.099 1.00 0.57 H new ATOM 0 HB3 ARG A 3 -5.434 7.014 3.206 1.00 0.57 H new ATOM 0 HG2 ARG A 3 -3.270 6.963 4.245 1.00 0.58 H new ATOM 0 HG3 ARG A 3 -3.491 5.354 3.586 1.00 0.58 H new ATOM 0 HD2 ARG A 3 -1.443 5.730 2.598 1.00 1.09 H new ATOM 0 HD3 ARG A 3 -2.379 6.607 1.404 1.00 1.09 H new ATOM 0 HE ARG A 3 -1.192 8.015 3.829 1.00 1.05 H new ATOM 0 HH11 ARG A 3 -3.045 9.008 1.377 1.00 1.90 H new ATOM 0 HH12 ARG A 3 -1.838 9.970 0.516 1.00 1.90 H new ATOM 0 HH21 ARG A 3 0.855 8.647 2.310 1.00 2.02 H new ATOM 0 HH22 ARG A 3 0.351 9.767 1.040 1.00 2.02 H new ATOM 63 N ILE A 4 -3.645 3.967 1.955 1.00 0.53 N ATOM 64 CA ILE A 4 -3.402 2.586 2.432 1.00 0.56 C ATOM 65 C ILE A 4 -2.054 2.613 3.137 1.00 0.51 C ATOM 66 O ILE A 4 -1.027 2.688 2.514 1.00 0.81 O ATOM 67 CB ILE A 4 -3.392 1.613 1.231 1.00 0.67 C ATOM 68 CG1 ILE A 4 -2.371 0.472 1.460 1.00 1.20 C ATOM 69 CG2 ILE A 4 -3.065 2.381 -0.057 1.00 1.03 C ATOM 70 CD1 ILE A 4 -1.019 0.789 0.799 1.00 1.31 C ATOM 0 H ILE A 4 -2.805 4.471 1.670 1.00 0.53 H new ATOM 0 HA ILE A 4 -4.181 2.243 3.112 1.00 0.56 H new ATOM 0 HB ILE A 4 -4.381 1.165 1.133 1.00 0.67 H new ATOM 0 HG12 ILE A 4 -2.228 0.319 2.530 1.00 1.20 H new ATOM 0 HG13 ILE A 4 -2.767 -0.459 1.055 1.00 1.20 H new ATOM 0 HG21 ILE A 4 -3.059 1.691 -0.901 1.00 1.03 H new ATOM 0 HG22 ILE A 4 -3.819 3.151 -0.223 1.00 1.03 H new ATOM 0 HG23 ILE A 4 -2.084 2.848 0.037 1.00 1.03 H new ATOM 0 HD11 ILE A 4 -0.325 -0.032 0.979 1.00 1.31 H new ATOM 0 HD12 ILE A 4 -1.160 0.917 -0.274 1.00 1.31 H new ATOM 0 HD13 ILE A 4 -0.613 1.707 1.224 1.00 1.31 H new ATOM 82 N ILE A 5 -2.037 2.587 4.429 1.00 0.34 N ATOM 83 CA ILE A 5 -0.731 2.658 5.123 1.00 0.28 C ATOM 84 C ILE A 5 -0.380 1.277 5.673 1.00 0.27 C ATOM 85 O ILE A 5 -1.244 0.504 6.037 1.00 0.38 O ATOM 86 CB ILE A 5 -0.829 3.650 6.281 1.00 0.34 C ATOM 87 CG1 ILE A 5 -1.197 5.034 5.740 1.00 0.46 C ATOM 88 CG2 ILE A 5 0.516 3.722 7.004 1.00 0.40 C ATOM 89 CD1 ILE A 5 -2.609 5.404 6.203 1.00 0.56 C ATOM 0 H ILE A 5 -2.858 2.521 5.031 1.00 0.34 H new ATOM 0 HA ILE A 5 0.040 2.984 4.424 1.00 0.28 H new ATOM 0 HB ILE A 5 -1.598 3.320 6.979 1.00 0.34 H new ATOM 0 HG12 ILE A 5 -0.481 5.776 6.093 1.00 0.46 H new ATOM 0 HG13 ILE A 5 -1.148 5.036 4.651 1.00 0.46 H new ATOM 0 HG21 ILE A 5 0.447 4.429 7.830 1.00 0.40 H new ATOM 0 HG22 ILE A 5 0.774 2.736 7.391 1.00 0.40 H new ATOM 0 HG23 ILE A 5 1.287 4.052 6.307 1.00 0.40 H new ATOM 0 HD11 ILE A 5 -2.872 6.389 5.818 1.00 0.56 H new ATOM 0 HD12 ILE A 5 -3.319 4.667 5.829 1.00 0.56 H new ATOM 0 HD13 ILE A 5 -2.642 5.419 7.292 1.00 0.56 H new ATOM 101 N LEU A 6 0.880 0.956 5.726 1.00 0.28 N ATOM 102 CA LEU A 6 1.289 -0.378 6.240 1.00 0.32 C ATOM 103 C LEU A 6 2.487 -0.212 7.166 1.00 0.37 C ATOM 104 O LEU A 6 3.323 0.642 6.958 1.00 0.52 O ATOM 105 CB LEU A 6 1.671 -1.276 5.060 1.00 0.48 C ATOM 106 CG LEU A 6 0.797 -0.928 3.852 1.00 0.48 C ATOM 107 CD1 LEU A 6 1.538 0.061 2.950 1.00 1.07 C ATOM 108 CD2 LEU A 6 0.482 -2.197 3.060 1.00 0.74 C ATOM 0 H LEU A 6 1.647 1.562 5.435 1.00 0.28 H new ATOM 0 HA LEU A 6 0.465 -0.832 6.790 1.00 0.32 H new ATOM 0 HB2 LEU A 6 2.724 -1.141 4.812 1.00 0.48 H new ATOM 0 HB3 LEU A 6 1.539 -2.324 5.329 1.00 0.48 H new ATOM 0 HG LEU A 6 -0.133 -0.478 4.201 1.00 0.48 H new ATOM 0 HD11 LEU A 6 0.914 0.307 2.091 1.00 1.07 H new ATOM 0 HD12 LEU A 6 1.759 0.969 3.510 1.00 1.07 H new ATOM 0 HD13 LEU A 6 2.469 -0.388 2.605 1.00 1.07 H new ATOM 0 HD21 LEU A 6 -0.140 -1.945 2.201 1.00 0.74 H new ATOM 0 HD22 LEU A 6 1.411 -2.650 2.714 1.00 0.74 H new ATOM 0 HD23 LEU A 6 -0.050 -2.902 3.699 1.00 0.74 H new ATOM 120 N SER A 7 2.580 -1.013 8.190 1.00 0.38 N ATOM 121 CA SER A 7 3.732 -0.877 9.120 1.00 0.53 C ATOM 122 C SER A 7 4.315 -2.246 9.442 1.00 0.58 C ATOM 123 O SER A 7 3.834 -2.962 10.295 1.00 0.88 O ATOM 124 CB SER A 7 3.275 -0.202 10.401 1.00 0.65 C ATOM 125 OG SER A 7 1.855 -0.196 10.452 1.00 1.08 O ATOM 0 H SER A 7 1.914 -1.750 8.421 1.00 0.38 H new ATOM 0 HA SER A 7 4.502 -0.270 8.643 1.00 0.53 H new ATOM 0 HB2 SER A 7 3.678 -0.728 11.266 1.00 0.65 H new ATOM 0 HB3 SER A 7 3.655 0.819 10.443 1.00 0.65 H new ATOM 0 HG SER A 7 1.559 0.238 11.279 1.00 1.08 H new ATOM 131 N ARG A 8 5.358 -2.602 8.760 1.00 0.55 N ATOM 132 CA ARG A 8 6.006 -3.922 9.006 1.00 0.63 C ATOM 133 C ARG A 8 7.322 -4.003 8.227 1.00 0.71 C ATOM 134 O ARG A 8 8.268 -4.638 8.648 1.00 1.17 O ATOM 135 CB ARG A 8 5.071 -5.043 8.548 1.00 0.78 C ATOM 136 CG ARG A 8 5.472 -6.354 9.229 1.00 1.17 C ATOM 137 CD ARG A 8 5.489 -6.157 10.746 1.00 1.69 C ATOM 138 NE ARG A 8 5.419 -7.484 11.420 1.00 2.09 N ATOM 139 CZ ARG A 8 6.433 -7.915 12.120 1.00 2.72 C ATOM 140 NH1 ARG A 8 7.505 -8.348 11.516 1.00 3.44 N ATOM 141 NH2 ARG A 8 6.374 -7.913 13.423 1.00 3.20 N ATOM 0 H ARG A 8 5.797 -2.034 8.035 1.00 0.55 H new ATOM 0 HA ARG A 8 6.210 -4.031 10.071 1.00 0.63 H new ATOM 0 HB2 ARG A 8 4.039 -4.794 8.795 1.00 0.78 H new ATOM 0 HB3 ARG A 8 5.122 -5.153 7.465 1.00 0.78 H new ATOM 0 HG2 ARG A 8 4.770 -7.144 8.962 1.00 1.17 H new ATOM 0 HG3 ARG A 8 6.456 -6.670 8.882 1.00 1.17 H new ATOM 0 HD2 ARG A 8 6.397 -5.633 11.045 1.00 1.69 H new ATOM 0 HD3 ARG A 8 4.647 -5.537 11.052 1.00 1.69 H new ATOM 0 HE ARG A 8 4.579 -8.056 11.334 1.00 2.09 H new ATOM 0 HH11 ARG A 8 7.551 -8.350 10.497 1.00 3.44 H new ATOM 0 HH12 ARG A 8 8.298 -8.685 12.063 1.00 3.44 H new ATOM 0 HH21 ARG A 8 5.535 -7.575 13.895 1.00 3.20 H new ATOM 0 HH22 ARG A 8 7.166 -8.250 13.970 1.00 3.20 H new ATOM 155 N LEU A 9 7.379 -3.372 7.085 1.00 0.62 N ATOM 156 CA LEU A 9 8.619 -3.417 6.260 1.00 0.69 C ATOM 157 C LEU A 9 9.785 -2.795 7.027 1.00 0.57 C ATOM 158 O LEU A 9 9.693 -2.510 8.203 1.00 0.71 O ATOM 159 CB LEU A 9 8.395 -2.631 4.966 1.00 0.90 C ATOM 160 CG LEU A 9 7.545 -1.393 5.255 1.00 0.83 C ATOM 161 CD1 LEU A 9 8.123 -0.190 4.508 1.00 1.61 C ATOM 162 CD2 LEU A 9 6.109 -1.640 4.785 1.00 0.89 C ATOM 0 H LEU A 9 6.616 -2.825 6.687 1.00 0.62 H new ATOM 0 HA LEU A 9 8.854 -4.456 6.030 1.00 0.69 H new ATOM 0 HB2 LEU A 9 9.353 -2.335 4.539 1.00 0.90 H new ATOM 0 HB3 LEU A 9 7.898 -3.261 4.228 1.00 0.90 H new ATOM 0 HG LEU A 9 7.550 -1.192 6.326 1.00 0.83 H new ATOM 0 HD11 LEU A 9 7.517 0.692 4.714 1.00 1.61 H new ATOM 0 HD12 LEU A 9 9.146 -0.013 4.840 1.00 1.61 H new ATOM 0 HD13 LEU A 9 8.119 -0.391 3.437 1.00 1.61 H new ATOM 0 HD21 LEU A 9 5.502 -0.758 4.991 1.00 0.89 H new ATOM 0 HD22 LEU A 9 6.106 -1.841 3.714 1.00 0.89 H new ATOM 0 HD23 LEU A 9 5.695 -2.497 5.316 1.00 0.89 H new ATOM 174 N LYS A 10 10.883 -2.580 6.355 1.00 0.67 N ATOM 175 CA LYS A 10 12.067 -1.969 7.017 1.00 0.92 C ATOM 176 C LYS A 10 12.533 -0.778 6.183 1.00 0.91 C ATOM 177 O LYS A 10 11.787 -0.228 5.397 1.00 0.82 O ATOM 178 CB LYS A 10 13.192 -3.002 7.108 1.00 1.27 C ATOM 179 CG LYS A 10 12.623 -4.335 7.599 1.00 1.82 C ATOM 180 CD LYS A 10 13.544 -5.475 7.162 1.00 2.24 C ATOM 181 CE LYS A 10 12.846 -6.815 7.400 1.00 2.68 C ATOM 182 NZ LYS A 10 13.811 -7.777 8.004 1.00 3.41 N ATOM 0 H LYS A 10 11.010 -2.804 5.368 1.00 0.67 H new ATOM 0 HA LYS A 10 11.803 -1.639 8.022 1.00 0.92 H new ATOM 0 HB2 LYS A 10 13.661 -3.132 6.132 1.00 1.27 H new ATOM 0 HB3 LYS A 10 13.967 -2.652 7.790 1.00 1.27 H new ATOM 0 HG2 LYS A 10 12.530 -4.325 8.685 1.00 1.82 H new ATOM 0 HG3 LYS A 10 11.622 -4.486 7.194 1.00 1.82 H new ATOM 0 HD2 LYS A 10 13.798 -5.368 6.107 1.00 2.24 H new ATOM 0 HD3 LYS A 10 14.479 -5.436 7.721 1.00 2.24 H new ATOM 0 HE2 LYS A 10 11.990 -6.679 8.061 1.00 2.68 H new ATOM 0 HE3 LYS A 10 12.463 -7.210 6.459 1.00 2.68 H new ATOM 0 HZ1 LYS A 10 13.337 -8.688 8.166 1.00 3.41 H new ATOM 0 HZ2 LYS A 10 14.614 -7.915 7.358 1.00 3.41 H new ATOM 0 HZ3 LYS A 10 14.156 -7.400 8.910 1.00 3.41 H new ATOM 196 N ALA A 11 13.758 -0.374 6.344 1.00 1.24 N ATOM 197 CA ALA A 11 14.268 0.783 5.556 1.00 1.36 C ATOM 198 C ALA A 11 14.649 0.318 4.147 1.00 0.94 C ATOM 199 O ALA A 11 15.812 0.183 3.823 1.00 1.19 O ATOM 200 CB ALA A 11 15.500 1.368 6.249 1.00 1.93 C ATOM 0 H ALA A 11 14.430 -0.793 6.986 1.00 1.24 H new ATOM 0 HA ALA A 11 13.491 1.545 5.488 1.00 1.36 H new ATOM 0 HB1 ALA A 11 15.874 2.215 5.673 1.00 1.93 H new ATOM 0 HB2 ALA A 11 15.230 1.702 7.251 1.00 1.93 H new ATOM 0 HB3 ALA A 11 16.275 0.605 6.318 1.00 1.93 H new ATOM 206 N GLY A 12 13.681 0.075 3.301 1.00 0.86 N ATOM 207 CA GLY A 12 14.005 -0.375 1.916 1.00 0.66 C ATOM 208 C GLY A 12 12.827 -1.154 1.319 1.00 0.56 C ATOM 209 O GLY A 12 12.746 -1.345 0.122 1.00 0.62 O ATOM 0 H GLY A 12 12.687 0.168 3.508 1.00 0.86 H new ATOM 0 HA2 GLY A 12 14.233 0.488 1.290 1.00 0.66 H new ATOM 0 HA3 GLY A 12 14.896 -1.003 1.930 1.00 0.66 H new ATOM 213 N GLU A 13 11.915 -1.610 2.136 1.00 0.50 N ATOM 214 CA GLU A 13 10.755 -2.380 1.597 1.00 0.46 C ATOM 215 C GLU A 13 9.634 -1.417 1.193 1.00 0.34 C ATOM 216 O GLU A 13 8.644 -1.813 0.611 1.00 0.31 O ATOM 217 CB GLU A 13 10.238 -3.343 2.666 1.00 0.51 C ATOM 218 CG GLU A 13 10.440 -4.785 2.198 1.00 0.89 C ATOM 219 CD GLU A 13 10.146 -5.742 3.355 1.00 1.27 C ATOM 220 OE1 GLU A 13 10.178 -5.295 4.490 1.00 2.00 O ATOM 221 OE2 GLU A 13 9.894 -6.905 3.086 1.00 1.84 O ATOM 0 H GLU A 13 11.922 -1.484 3.148 1.00 0.50 H new ATOM 0 HA GLU A 13 11.077 -2.945 0.722 1.00 0.46 H new ATOM 0 HB2 GLU A 13 10.766 -3.177 3.605 1.00 0.51 H new ATOM 0 HB3 GLU A 13 9.181 -3.157 2.857 1.00 0.51 H new ATOM 0 HG2 GLU A 13 9.782 -5.001 1.357 1.00 0.89 H new ATOM 0 HG3 GLU A 13 11.462 -4.925 1.847 1.00 0.89 H new ATOM 228 N VAL A 14 9.782 -0.157 1.494 1.00 0.35 N ATOM 229 CA VAL A 14 8.727 0.828 1.124 1.00 0.30 C ATOM 230 C VAL A 14 8.426 0.707 -0.373 1.00 0.27 C ATOM 231 O VAL A 14 7.287 0.552 -0.787 1.00 0.25 O ATOM 232 CB VAL A 14 9.231 2.239 1.439 1.00 0.37 C ATOM 233 CG1 VAL A 14 8.294 3.281 0.824 1.00 0.52 C ATOM 234 CG2 VAL A 14 9.276 2.432 2.956 1.00 0.52 C ATOM 0 H VAL A 14 10.589 0.234 1.981 1.00 0.35 H new ATOM 0 HA VAL A 14 7.817 0.631 1.691 1.00 0.30 H new ATOM 0 HB VAL A 14 10.229 2.364 1.019 1.00 0.37 H new ATOM 0 HG11 VAL A 14 8.661 4.281 1.054 1.00 0.52 H new ATOM 0 HG12 VAL A 14 8.260 3.146 -0.257 1.00 0.52 H new ATOM 0 HG13 VAL A 14 7.293 3.158 1.237 1.00 0.52 H new ATOM 0 HG21 VAL A 14 9.634 3.436 3.185 1.00 0.52 H new ATOM 0 HG22 VAL A 14 8.276 2.301 3.369 1.00 0.52 H new ATOM 0 HG23 VAL A 14 9.950 1.697 3.396 1.00 0.52 H new ATOM 244 N ASP A 15 9.440 0.775 -1.190 1.00 0.31 N ATOM 245 CA ASP A 15 9.218 0.659 -2.655 1.00 0.34 C ATOM 246 C ASP A 15 8.535 -0.675 -2.946 1.00 0.31 C ATOM 247 O ASP A 15 7.816 -0.815 -3.910 1.00 0.34 O ATOM 248 CB ASP A 15 10.563 0.718 -3.383 1.00 0.44 C ATOM 249 CG ASP A 15 11.445 1.789 -2.739 1.00 1.35 C ATOM 250 OD1 ASP A 15 11.158 2.959 -2.932 1.00 2.16 O ATOM 251 OD2 ASP A 15 12.393 1.421 -2.065 1.00 2.02 O ATOM 0 H ASP A 15 10.411 0.906 -0.906 1.00 0.31 H new ATOM 0 HA ASP A 15 8.589 1.479 -3.001 1.00 0.34 H new ATOM 0 HB2 ASP A 15 11.057 -0.252 -3.335 1.00 0.44 H new ATOM 0 HB3 ASP A 15 10.408 0.945 -4.438 1.00 0.44 H new ATOM 256 N LEU A 16 8.759 -1.657 -2.112 1.00 0.31 N ATOM 257 CA LEU A 16 8.127 -2.988 -2.330 1.00 0.34 C ATOM 258 C LEU A 16 6.604 -2.857 -2.251 1.00 0.30 C ATOM 259 O LEU A 16 5.878 -3.529 -2.957 1.00 0.36 O ATOM 260 CB LEU A 16 8.611 -3.962 -1.253 1.00 0.39 C ATOM 261 CG LEU A 16 9.335 -5.136 -1.914 1.00 0.67 C ATOM 262 CD1 LEU A 16 8.335 -5.963 -2.725 1.00 1.37 C ATOM 263 CD2 LEU A 16 10.427 -4.602 -2.844 1.00 1.66 C ATOM 0 H LEU A 16 9.355 -1.592 -1.287 1.00 0.31 H new ATOM 0 HA LEU A 16 8.405 -3.363 -3.315 1.00 0.34 H new ATOM 0 HB2 LEU A 16 9.280 -3.452 -0.561 1.00 0.39 H new ATOM 0 HB3 LEU A 16 7.765 -4.325 -0.669 1.00 0.39 H new ATOM 0 HG LEU A 16 9.785 -5.764 -1.145 1.00 0.67 H new ATOM 0 HD11 LEU A 16 8.852 -6.799 -3.196 1.00 1.37 H new ATOM 0 HD12 LEU A 16 7.556 -6.343 -2.064 1.00 1.37 H new ATOM 0 HD13 LEU A 16 7.884 -5.336 -3.494 1.00 1.37 H new ATOM 0 HD21 LEU A 16 10.944 -5.438 -3.316 1.00 1.66 H new ATOM 0 HD22 LEU A 16 9.976 -3.974 -3.612 1.00 1.66 H new ATOM 0 HD23 LEU A 16 11.140 -4.013 -2.267 1.00 1.66 H new ATOM 275 N LEU A 17 6.112 -1.995 -1.403 1.00 0.26 N ATOM 276 CA LEU A 17 4.638 -1.822 -1.290 1.00 0.28 C ATOM 277 C LEU A 17 4.140 -1.150 -2.570 1.00 0.27 C ATOM 278 O LEU A 17 3.449 -1.747 -3.371 1.00 0.33 O ATOM 279 CB LEU A 17 4.318 -0.944 -0.071 1.00 0.31 C ATOM 280 CG LEU A 17 4.509 -1.732 1.236 1.00 0.75 C ATOM 281 CD1 LEU A 17 3.228 -2.497 1.558 1.00 1.70 C ATOM 282 CD2 LEU A 17 5.672 -2.724 1.106 1.00 0.55 C ATOM 0 H LEU A 17 6.668 -1.404 -0.785 1.00 0.26 H new ATOM 0 HA LEU A 17 4.146 -2.786 -1.161 1.00 0.28 H new ATOM 0 HB2 LEU A 17 4.965 -0.067 -0.070 1.00 0.31 H new ATOM 0 HB3 LEU A 17 3.292 -0.583 -0.137 1.00 0.31 H new ATOM 0 HG LEU A 17 4.736 -1.029 2.037 1.00 0.75 H new ATOM 0 HD11 LEU A 17 3.361 -3.056 2.484 1.00 1.70 H new ATOM 0 HD12 LEU A 17 2.404 -1.794 1.674 1.00 1.70 H new ATOM 0 HD13 LEU A 17 3.003 -3.188 0.746 1.00 1.70 H new ATOM 0 HD21 LEU A 17 5.790 -3.271 2.041 1.00 0.55 H new ATOM 0 HD22 LEU A 17 5.463 -3.426 0.299 1.00 0.55 H new ATOM 0 HD23 LEU A 17 6.591 -2.181 0.885 1.00 0.55 H new ATOM 294 N GLU A 18 4.506 0.086 -2.778 1.00 0.25 N ATOM 295 CA GLU A 18 4.083 0.800 -4.011 1.00 0.27 C ATOM 296 C GLU A 18 4.570 0.030 -5.247 1.00 0.26 C ATOM 297 O GLU A 18 4.152 0.296 -6.355 1.00 0.27 O ATOM 298 CB GLU A 18 4.694 2.202 -4.015 1.00 0.34 C ATOM 299 CG GLU A 18 6.201 2.103 -3.770 1.00 1.13 C ATOM 300 CD GLU A 18 6.953 2.672 -4.974 1.00 1.15 C ATOM 301 OE1 GLU A 18 7.146 3.876 -5.012 1.00 1.65 O ATOM 302 OE2 GLU A 18 7.323 1.894 -5.838 1.00 1.78 O ATOM 0 H GLU A 18 5.084 0.633 -2.140 1.00 0.25 H new ATOM 0 HA GLU A 18 2.996 0.871 -4.035 1.00 0.27 H new ATOM 0 HB2 GLU A 18 4.501 2.691 -4.970 1.00 0.34 H new ATOM 0 HB3 GLU A 18 4.229 2.815 -3.243 1.00 0.34 H new ATOM 0 HG2 GLU A 18 6.470 2.652 -2.867 1.00 1.13 H new ATOM 0 HG3 GLU A 18 6.486 1.064 -3.608 1.00 1.13 H new ATOM 309 N GLU A 19 5.451 -0.921 -5.071 1.00 0.28 N ATOM 310 CA GLU A 19 5.948 -1.697 -6.240 1.00 0.32 C ATOM 311 C GLU A 19 4.894 -2.728 -6.636 1.00 0.32 C ATOM 312 O GLU A 19 4.344 -2.686 -7.718 1.00 0.36 O ATOM 313 CB GLU A 19 7.247 -2.419 -5.877 1.00 0.36 C ATOM 314 CG GLU A 19 8.444 -1.555 -6.281 1.00 0.66 C ATOM 315 CD GLU A 19 8.855 -1.891 -7.716 1.00 1.04 C ATOM 316 OE1 GLU A 19 8.921 -3.068 -8.032 1.00 1.50 O ATOM 317 OE2 GLU A 19 9.097 -0.967 -8.474 1.00 1.69 O ATOM 0 H GLU A 19 5.845 -1.191 -4.170 1.00 0.28 H new ATOM 0 HA GLU A 19 6.138 -1.016 -7.070 1.00 0.32 H new ATOM 0 HB2 GLU A 19 7.276 -2.621 -4.806 1.00 0.36 H new ATOM 0 HB3 GLU A 19 7.293 -3.383 -6.384 1.00 0.36 H new ATOM 0 HG2 GLU A 19 8.186 -0.499 -6.203 1.00 0.66 H new ATOM 0 HG3 GLU A 19 9.278 -1.730 -5.602 1.00 0.66 H new ATOM 324 N GLU A 20 4.601 -3.652 -5.761 1.00 0.32 N ATOM 325 CA GLU A 20 3.574 -4.679 -6.085 1.00 0.36 C ATOM 326 C GLU A 20 2.301 -3.966 -6.536 1.00 0.34 C ATOM 327 O GLU A 20 1.691 -4.321 -7.525 1.00 0.38 O ATOM 328 CB GLU A 20 3.281 -5.520 -4.841 1.00 0.42 C ATOM 329 CG GLU A 20 4.585 -6.123 -4.313 1.00 0.96 C ATOM 330 CD GLU A 20 5.346 -6.783 -5.465 1.00 1.63 C ATOM 331 OE1 GLU A 20 5.887 -6.058 -6.284 1.00 2.23 O ATOM 332 OE2 GLU A 20 5.376 -8.002 -5.508 1.00 2.20 O ATOM 0 H GLU A 20 5.028 -3.739 -4.839 1.00 0.32 H new ATOM 0 HA GLU A 20 3.935 -5.334 -6.878 1.00 0.36 H new ATOM 0 HB2 GLU A 20 2.816 -4.902 -4.073 1.00 0.42 H new ATOM 0 HB3 GLU A 20 2.573 -6.313 -5.083 1.00 0.42 H new ATOM 0 HG2 GLU A 20 5.198 -5.346 -3.856 1.00 0.96 H new ATOM 0 HG3 GLU A 20 4.370 -6.858 -3.537 1.00 0.96 H new ATOM 339 N LEU A 21 1.909 -2.948 -5.822 1.00 0.35 N ATOM 340 CA LEU A 21 0.689 -2.188 -6.206 1.00 0.35 C ATOM 341 C LEU A 21 0.970 -1.440 -7.505 1.00 0.33 C ATOM 342 O LEU A 21 0.102 -1.252 -8.332 1.00 0.39 O ATOM 343 CB LEU A 21 0.357 -1.184 -5.102 1.00 0.37 C ATOM 344 CG LEU A 21 -0.330 -1.891 -3.933 1.00 0.69 C ATOM 345 CD1 LEU A 21 0.324 -3.255 -3.680 1.00 1.64 C ATOM 346 CD2 LEU A 21 -0.187 -1.026 -2.682 1.00 1.33 C ATOM 0 H LEU A 21 2.384 -2.609 -4.985 1.00 0.35 H new ATOM 0 HA LEU A 21 -0.152 -2.868 -6.343 1.00 0.35 H new ATOM 0 HB2 LEU A 21 1.269 -0.698 -4.757 1.00 0.37 H new ATOM 0 HB3 LEU A 21 -0.292 -0.402 -5.495 1.00 0.37 H new ATOM 0 HG LEU A 21 -1.383 -2.042 -4.171 1.00 0.69 H new ATOM 0 HD11 LEU A 21 -0.174 -3.748 -2.845 1.00 1.64 H new ATOM 0 HD12 LEU A 21 0.233 -3.873 -4.573 1.00 1.64 H new ATOM 0 HD13 LEU A 21 1.378 -3.114 -3.441 1.00 1.64 H new ATOM 0 HD21 LEU A 21 -0.673 -1.520 -1.841 1.00 1.33 H new ATOM 0 HD22 LEU A 21 0.870 -0.883 -2.457 1.00 1.33 H new ATOM 0 HD23 LEU A 21 -0.656 -0.057 -2.854 1.00 1.33 H new ATOM 358 N GLY A 22 2.189 -1.019 -7.689 1.00 0.32 N ATOM 359 CA GLY A 22 2.550 -0.292 -8.929 1.00 0.35 C ATOM 360 C GLY A 22 2.843 -1.308 -10.037 1.00 0.35 C ATOM 361 O GLY A 22 3.111 -0.951 -11.167 1.00 0.39 O ATOM 0 H GLY A 22 2.954 -1.150 -7.027 1.00 0.32 H new ATOM 0 HA2 GLY A 22 1.736 0.368 -9.229 1.00 0.35 H new ATOM 0 HA3 GLY A 22 3.423 0.338 -8.755 1.00 0.35 H new ATOM 365 N HIS A 23 2.780 -2.576 -9.720 1.00 0.38 N ATOM 366 CA HIS A 23 3.039 -3.624 -10.746 1.00 0.41 C ATOM 367 C HIS A 23 1.715 -4.309 -11.089 1.00 0.41 C ATOM 368 O HIS A 23 1.599 -5.008 -12.077 1.00 0.44 O ATOM 369 CB HIS A 23 4.024 -4.655 -10.191 1.00 0.58 C ATOM 370 CG HIS A 23 5.220 -4.744 -11.097 1.00 1.06 C ATOM 371 ND1 HIS A 23 6.009 -5.882 -11.171 1.00 1.69 N ATOM 372 CD2 HIS A 23 5.776 -3.846 -11.974 1.00 1.90 C ATOM 373 CE1 HIS A 23 6.986 -5.641 -12.064 1.00 2.09 C ATOM 374 NE2 HIS A 23 6.891 -4.414 -12.584 1.00 2.23 N ATOM 0 H HIS A 23 2.559 -2.930 -8.789 1.00 0.38 H new ATOM 0 HA HIS A 23 3.467 -3.172 -11.641 1.00 0.41 H new ATOM 0 HB2 HIS A 23 4.336 -4.371 -9.186 1.00 0.58 H new ATOM 0 HB3 HIS A 23 3.541 -5.629 -10.112 1.00 0.58 H new ATOM 0 HD2 HIS A 23 5.405 -2.850 -12.162 1.00 1.90 H new ATOM 0 HE1 HIS A 23 7.754 -6.353 -12.328 1.00 2.09 H new ATOM 0 HE2 HIS A 23 7.503 -3.986 -13.278 1.00 2.23 H new ATOM 382 N LEU A 24 0.711 -4.095 -10.283 1.00 0.45 N ATOM 383 CA LEU A 24 -0.619 -4.707 -10.553 1.00 0.58 C ATOM 384 C LEU A 24 -1.563 -3.599 -11.009 1.00 0.59 C ATOM 385 O LEU A 24 -2.544 -3.832 -11.688 1.00 0.72 O ATOM 386 CB LEU A 24 -1.169 -5.332 -9.269 1.00 0.75 C ATOM 387 CG LEU A 24 -0.094 -6.193 -8.605 1.00 0.88 C ATOM 388 CD1 LEU A 24 -0.327 -6.222 -7.092 1.00 1.07 C ATOM 389 CD2 LEU A 24 -0.168 -7.617 -9.158 1.00 1.84 C ATOM 0 H LEU A 24 0.757 -3.518 -9.443 1.00 0.45 H new ATOM 0 HA LEU A 24 -0.529 -5.479 -11.317 1.00 0.58 H new ATOM 0 HB2 LEU A 24 -1.494 -4.549 -8.584 1.00 0.75 H new ATOM 0 HB3 LEU A 24 -2.044 -5.940 -9.497 1.00 0.75 H new ATOM 0 HG LEU A 24 0.889 -5.772 -8.814 1.00 0.88 H new ATOM 0 HD11 LEU A 24 0.439 -6.836 -6.618 1.00 1.07 H new ATOM 0 HD12 LEU A 24 -0.276 -5.208 -6.696 1.00 1.07 H new ATOM 0 HD13 LEU A 24 -1.310 -6.643 -6.883 1.00 1.07 H new ATOM 0 HD21 LEU A 24 0.598 -8.231 -8.685 1.00 1.84 H new ATOM 0 HD22 LEU A 24 -1.151 -8.038 -8.948 1.00 1.84 H new ATOM 0 HD23 LEU A 24 -0.004 -7.598 -10.235 1.00 1.84 H new ATOM 401 N THR A 25 -1.259 -2.390 -10.633 1.00 0.54 N ATOM 402 CA THR A 25 -2.106 -1.237 -11.021 1.00 0.66 C ATOM 403 C THR A 25 -1.265 0.042 -10.925 1.00 0.59 C ATOM 404 O THR A 25 -0.067 -0.014 -10.730 1.00 0.60 O ATOM 405 CB THR A 25 -3.307 -1.155 -10.073 1.00 0.81 C ATOM 406 OG1 THR A 25 -4.192 -0.135 -10.511 1.00 1.06 O ATOM 407 CG2 THR A 25 -2.821 -0.850 -8.656 1.00 0.65 C ATOM 0 H THR A 25 -0.446 -2.151 -10.065 1.00 0.54 H new ATOM 0 HA THR A 25 -2.470 -1.356 -12.042 1.00 0.66 H new ATOM 0 HB THR A 25 -3.835 -2.109 -10.073 1.00 0.81 H new ATOM 0 HG1 THR A 25 -5.049 -0.534 -10.770 1.00 1.06 H new ATOM 0 HG21 THR A 25 -3.676 -0.792 -7.983 1.00 0.65 H new ATOM 0 HG22 THR A 25 -2.150 -1.642 -8.323 1.00 0.65 H new ATOM 0 HG23 THR A 25 -2.290 0.102 -8.651 1.00 0.65 H new ATOM 415 N THR A 26 -1.868 1.191 -11.062 1.00 0.70 N ATOM 416 CA THR A 26 -1.079 2.454 -10.980 1.00 0.74 C ATOM 417 C THR A 26 -1.390 3.171 -9.687 1.00 0.76 C ATOM 418 O THR A 26 -2.444 3.745 -9.495 1.00 1.38 O ATOM 419 CB THR A 26 -1.412 3.356 -12.170 1.00 0.95 C ATOM 420 OG1 THR A 26 -2.823 3.447 -12.312 1.00 1.29 O ATOM 421 CG2 THR A 26 -0.805 2.768 -13.445 1.00 1.41 C ATOM 0 H THR A 26 -2.868 1.311 -11.226 1.00 0.70 H new ATOM 0 HA THR A 26 -0.017 2.212 -11.006 1.00 0.74 H new ATOM 0 HB THR A 26 -0.999 4.350 -12.000 1.00 0.95 H new ATOM 0 HG1 THR A 26 -3.238 3.498 -11.426 1.00 1.29 H new ATOM 0 HG21 THR A 26 -1.043 3.412 -14.292 1.00 1.41 H new ATOM 0 HG22 THR A 26 0.277 2.699 -13.335 1.00 1.41 H new ATOM 0 HG23 THR A 26 -1.216 1.773 -13.618 1.00 1.41 H new ATOM 429 N LEU A 27 -0.445 3.141 -8.808 1.00 0.30 N ATOM 430 CA LEU A 27 -0.593 3.809 -7.506 1.00 0.25 C ATOM 431 C LEU A 27 -0.901 5.287 -7.734 1.00 0.28 C ATOM 432 O LEU A 27 -1.346 5.677 -8.795 1.00 0.33 O ATOM 433 CB LEU A 27 0.723 3.656 -6.768 1.00 0.26 C ATOM 434 CG LEU A 27 0.691 2.386 -5.926 1.00 0.23 C ATOM 435 CD1 LEU A 27 2.043 1.705 -6.029 1.00 0.28 C ATOM 436 CD2 LEU A 27 0.419 2.729 -4.463 1.00 0.23 C ATOM 0 H LEU A 27 0.448 2.667 -8.943 1.00 0.30 H new ATOM 0 HA LEU A 27 -1.405 3.372 -6.926 1.00 0.25 H new ATOM 0 HB2 LEU A 27 1.548 3.612 -7.479 1.00 0.26 H new ATOM 0 HB3 LEU A 27 0.897 4.523 -6.131 1.00 0.26 H new ATOM 0 HG LEU A 27 -0.100 1.730 -6.290 1.00 0.23 H new ATOM 0 HD11 LEU A 27 2.038 0.793 -5.432 1.00 0.28 H new ATOM 0 HD12 LEU A 27 2.246 1.455 -7.070 1.00 0.28 H new ATOM 0 HD13 LEU A 27 2.818 2.377 -5.659 1.00 0.28 H new ATOM 0 HD21 LEU A 27 0.399 1.813 -3.872 1.00 0.23 H new ATOM 0 HD22 LEU A 27 1.207 3.384 -4.090 1.00 0.23 H new ATOM 0 HD23 LEU A 27 -0.543 3.235 -4.381 1.00 0.23 H new ATOM 448 N THR A 28 -0.687 6.116 -6.752 1.00 0.31 N ATOM 449 CA THR A 28 -0.994 7.556 -6.942 1.00 0.37 C ATOM 450 C THR A 28 0.098 8.442 -6.323 1.00 0.36 C ATOM 451 O THR A 28 0.500 9.428 -6.907 1.00 0.40 O ATOM 452 CB THR A 28 -2.347 7.851 -6.290 1.00 0.40 C ATOM 453 OG1 THR A 28 -3.387 7.557 -7.212 1.00 0.85 O ATOM 454 CG2 THR A 28 -2.440 9.321 -5.871 1.00 1.14 C ATOM 0 H THR A 28 -0.317 5.861 -5.836 1.00 0.31 H new ATOM 0 HA THR A 28 -1.031 7.780 -8.008 1.00 0.37 H new ATOM 0 HB THR A 28 -2.448 7.229 -5.401 1.00 0.40 H new ATOM 0 HG1 THR A 28 -3.052 6.942 -7.898 1.00 0.85 H new ATOM 0 HG21 THR A 28 -3.410 9.507 -5.410 1.00 1.14 H new ATOM 0 HG22 THR A 28 -1.649 9.546 -5.156 1.00 1.14 H new ATOM 0 HG23 THR A 28 -2.327 9.957 -6.749 1.00 1.14 H new ATOM 462 N ASP A 29 0.573 8.125 -5.147 1.00 0.32 N ATOM 463 CA ASP A 29 1.614 8.988 -4.527 1.00 0.35 C ATOM 464 C ASP A 29 2.106 8.320 -3.257 1.00 0.35 C ATOM 465 O ASP A 29 1.991 8.857 -2.174 1.00 0.44 O ATOM 466 CB ASP A 29 1.011 10.348 -4.184 1.00 0.39 C ATOM 467 CG ASP A 29 1.771 11.448 -4.928 1.00 0.45 C ATOM 468 OD1 ASP A 29 1.833 11.381 -6.144 1.00 1.18 O ATOM 469 OD2 ASP A 29 2.279 12.340 -4.268 1.00 1.17 O ATOM 0 H ASP A 29 0.288 7.315 -4.597 1.00 0.32 H new ATOM 0 HA ASP A 29 2.443 9.128 -5.221 1.00 0.35 H new ATOM 0 HB2 ASP A 29 -0.043 10.370 -4.460 1.00 0.39 H new ATOM 0 HB3 ASP A 29 1.063 10.519 -3.109 1.00 0.39 H new ATOM 474 N VAL A 30 2.620 7.142 -3.372 1.00 0.35 N ATOM 475 CA VAL A 30 3.077 6.426 -2.159 1.00 0.38 C ATOM 476 C VAL A 30 4.185 7.208 -1.448 1.00 0.34 C ATOM 477 O VAL A 30 4.908 7.978 -2.048 1.00 0.34 O ATOM 478 CB VAL A 30 3.556 5.024 -2.547 1.00 0.45 C ATOM 479 CG1 VAL A 30 2.723 4.498 -3.717 1.00 0.59 C ATOM 480 CG2 VAL A 30 5.035 5.056 -2.953 1.00 0.60 C ATOM 0 H VAL A 30 2.745 6.640 -4.251 1.00 0.35 H new ATOM 0 HA VAL A 30 2.243 6.336 -1.462 1.00 0.38 H new ATOM 0 HB VAL A 30 3.438 4.367 -1.686 1.00 0.45 H new ATOM 0 HG11 VAL A 30 3.067 3.500 -3.989 1.00 0.59 H new ATOM 0 HG12 VAL A 30 1.674 4.452 -3.425 1.00 0.59 H new ATOM 0 HG13 VAL A 30 2.833 5.166 -4.571 1.00 0.59 H new ATOM 0 HG21 VAL A 30 5.359 4.052 -3.226 1.00 0.60 H new ATOM 0 HG22 VAL A 30 5.164 5.723 -3.805 1.00 0.60 H new ATOM 0 HG23 VAL A 30 5.634 5.416 -2.117 1.00 0.60 H new ATOM 490 N VAL A 31 4.316 7.004 -0.163 1.00 0.34 N ATOM 491 CA VAL A 31 5.367 7.717 0.611 1.00 0.33 C ATOM 492 C VAL A 31 6.270 6.685 1.278 1.00 0.32 C ATOM 493 O VAL A 31 5.895 5.542 1.463 1.00 0.33 O ATOM 494 CB VAL A 31 4.709 8.646 1.656 1.00 0.38 C ATOM 495 CG1 VAL A 31 4.856 8.081 3.076 1.00 0.45 C ATOM 496 CG2 VAL A 31 5.382 10.019 1.596 1.00 0.42 C ATOM 0 H VAL A 31 3.735 6.369 0.384 1.00 0.34 H new ATOM 0 HA VAL A 31 5.971 8.337 -0.052 1.00 0.33 H new ATOM 0 HB VAL A 31 3.647 8.725 1.425 1.00 0.38 H new ATOM 0 HG11 VAL A 31 4.383 8.758 3.788 1.00 0.45 H new ATOM 0 HG12 VAL A 31 4.376 7.104 3.130 1.00 0.45 H new ATOM 0 HG13 VAL A 31 5.914 7.980 3.320 1.00 0.45 H new ATOM 0 HG21 VAL A 31 4.924 10.681 2.330 1.00 0.42 H new ATOM 0 HG22 VAL A 31 6.444 9.913 1.816 1.00 0.42 H new ATOM 0 HG23 VAL A 31 5.258 10.442 0.599 1.00 0.42 H new ATOM 506 N LYS A 32 7.460 7.078 1.619 1.00 0.40 N ATOM 507 CA LYS A 32 8.401 6.119 2.243 1.00 0.45 C ATOM 508 C LYS A 32 8.604 6.432 3.727 1.00 0.45 C ATOM 509 O LYS A 32 8.289 7.504 4.203 1.00 0.49 O ATOM 510 CB LYS A 32 9.729 6.192 1.488 1.00 0.53 C ATOM 511 CG LYS A 32 10.324 7.598 1.595 1.00 0.68 C ATOM 512 CD LYS A 32 11.305 7.652 2.764 1.00 1.30 C ATOM 513 CE LYS A 32 10.654 8.404 3.919 1.00 1.96 C ATOM 514 NZ LYS A 32 11.592 9.441 4.434 1.00 2.57 N ATOM 0 H LYS A 32 7.821 8.023 1.492 1.00 0.40 H new ATOM 0 HA LYS A 32 7.991 5.111 2.181 1.00 0.45 H new ATOM 0 HB2 LYS A 32 10.428 5.462 1.896 1.00 0.53 H new ATOM 0 HB3 LYS A 32 9.574 5.934 0.440 1.00 0.53 H new ATOM 0 HG2 LYS A 32 10.833 7.860 0.668 1.00 0.68 H new ATOM 0 HG3 LYS A 32 9.529 8.330 1.740 1.00 0.68 H new ATOM 0 HD2 LYS A 32 11.576 6.643 3.076 1.00 1.30 H new ATOM 0 HD3 LYS A 32 12.226 8.150 2.461 1.00 1.30 H new ATOM 0 HE2 LYS A 32 9.727 8.871 3.585 1.00 1.96 H new ATOM 0 HE3 LYS A 32 10.391 7.709 4.716 1.00 1.96 H new ATOM 0 HZ1 LYS A 32 11.145 9.952 5.222 1.00 2.57 H new ATOM 0 HZ2 LYS A 32 12.465 8.985 4.768 1.00 2.57 H new ATOM 0 HZ3 LYS A 32 11.821 10.111 3.672 1.00 2.57 H new ATOM 528 N GLY A 33 9.119 5.479 4.460 1.00 0.47 N ATOM 529 CA GLY A 33 9.350 5.674 5.916 1.00 0.54 C ATOM 530 C GLY A 33 10.184 4.505 6.446 1.00 0.59 C ATOM 531 O GLY A 33 10.429 3.542 5.747 1.00 0.81 O ATOM 0 H GLY A 33 9.392 4.563 4.103 1.00 0.47 H new ATOM 0 HA2 GLY A 33 9.867 6.617 6.093 1.00 0.54 H new ATOM 0 HA3 GLY A 33 8.398 5.729 6.445 1.00 0.54 H new ATOM 535 N ALA A 34 10.621 4.574 7.673 1.00 0.58 N ATOM 536 CA ALA A 34 11.435 3.458 8.233 1.00 0.63 C ATOM 537 C ALA A 34 10.758 2.124 7.908 1.00 0.57 C ATOM 538 O ALA A 34 11.296 1.297 7.199 1.00 0.69 O ATOM 539 CB ALA A 34 11.546 3.617 9.751 1.00 0.73 C ATOM 0 H ALA A 34 10.451 5.352 8.310 1.00 0.58 H new ATOM 0 HA ALA A 34 12.432 3.478 7.793 1.00 0.63 H new ATOM 0 HB1 ALA A 34 12.141 2.801 10.160 1.00 0.73 H new ATOM 0 HB2 ALA A 34 12.026 4.568 9.983 1.00 0.73 H new ATOM 0 HB3 ALA A 34 10.550 3.596 10.193 1.00 0.73 H new ATOM 545 N ASP A 35 9.577 1.913 8.421 1.00 0.51 N ATOM 546 CA ASP A 35 8.853 0.638 8.147 1.00 0.52 C ATOM 547 C ASP A 35 7.370 0.942 7.940 1.00 0.50 C ATOM 548 O ASP A 35 6.538 0.057 7.932 1.00 0.61 O ATOM 549 CB ASP A 35 9.020 -0.308 9.336 1.00 0.57 C ATOM 550 CG ASP A 35 8.869 0.478 10.640 1.00 0.80 C ATOM 551 OD1 ASP A 35 8.113 1.435 10.647 1.00 1.48 O ATOM 552 OD2 ASP A 35 9.513 0.109 11.608 1.00 1.45 O ATOM 0 H ASP A 35 9.080 2.571 9.021 1.00 0.51 H new ATOM 0 HA ASP A 35 9.260 0.167 7.252 1.00 0.52 H new ATOM 0 HB2 ASP A 35 8.275 -1.102 9.290 1.00 0.57 H new ATOM 0 HB3 ASP A 35 9.999 -0.786 9.299 1.00 0.57 H new ATOM 557 N SER A 36 7.033 2.192 7.773 1.00 0.51 N ATOM 558 CA SER A 36 5.606 2.556 7.566 1.00 0.59 C ATOM 559 C SER A 36 5.452 3.251 6.212 1.00 0.55 C ATOM 560 O SER A 36 5.770 4.414 6.062 1.00 0.82 O ATOM 561 CB SER A 36 5.154 3.502 8.679 1.00 0.74 C ATOM 562 OG SER A 36 4.177 4.398 8.166 1.00 1.28 O ATOM 0 H SER A 36 7.686 2.976 7.771 1.00 0.51 H new ATOM 0 HA SER A 36 4.993 1.655 7.586 1.00 0.59 H new ATOM 0 HB2 SER A 36 4.740 2.932 9.511 1.00 0.74 H new ATOM 0 HB3 SER A 36 6.007 4.059 9.067 1.00 0.74 H new ATOM 0 HG SER A 36 3.884 5.005 8.877 1.00 1.28 H new ATOM 568 N LEU A 37 4.964 2.552 5.223 1.00 0.44 N ATOM 569 CA LEU A 37 4.793 3.183 3.885 1.00 0.52 C ATOM 570 C LEU A 37 3.325 3.559 3.689 1.00 0.46 C ATOM 571 O LEU A 37 2.436 2.784 3.971 1.00 0.68 O ATOM 572 CB LEU A 37 5.218 2.197 2.792 1.00 0.67 C ATOM 573 CG LEU A 37 4.711 2.689 1.433 1.00 0.83 C ATOM 574 CD1 LEU A 37 5.708 2.300 0.341 1.00 1.60 C ATOM 575 CD2 LEU A 37 3.354 2.049 1.134 1.00 1.45 C ATOM 0 H LEU A 37 4.678 1.575 5.284 1.00 0.44 H new ATOM 0 HA LEU A 37 5.412 4.078 3.823 1.00 0.52 H new ATOM 0 HB2 LEU A 37 6.304 2.103 2.774 1.00 0.67 H new ATOM 0 HB3 LEU A 37 4.816 1.206 3.005 1.00 0.67 H new ATOM 0 HG LEU A 37 4.606 3.774 1.457 1.00 0.83 H new ATOM 0 HD11 LEU A 37 5.345 2.651 -0.625 1.00 1.60 H new ATOM 0 HD12 LEU A 37 6.675 2.756 0.553 1.00 1.60 H new ATOM 0 HD13 LEU A 37 5.815 1.216 0.316 1.00 1.60 H new ATOM 0 HD21 LEU A 37 2.992 2.398 0.167 1.00 1.45 H new ATOM 0 HD22 LEU A 37 3.460 0.964 1.111 1.00 1.45 H new ATOM 0 HD23 LEU A 37 2.641 2.328 1.910 1.00 1.45 H new ATOM 587 N SER A 38 3.061 4.736 3.197 1.00 0.31 N ATOM 588 CA SER A 38 1.642 5.138 2.980 1.00 0.29 C ATOM 589 C SER A 38 1.394 5.297 1.493 1.00 0.31 C ATOM 590 O SER A 38 1.871 6.211 0.861 1.00 0.40 O ATOM 591 CB SER A 38 1.354 6.445 3.684 1.00 0.39 C ATOM 592 OG SER A 38 2.491 7.290 3.608 1.00 1.27 O ATOM 0 H SER A 38 3.759 5.433 2.937 1.00 0.31 H new ATOM 0 HA SER A 38 0.985 4.369 3.386 1.00 0.29 H new ATOM 0 HB2 SER A 38 0.494 6.934 3.226 1.00 0.39 H new ATOM 0 HB3 SER A 38 1.097 6.259 4.727 1.00 0.39 H new ATOM 0 HG SER A 38 2.300 8.137 4.064 1.00 1.27 H new ATOM 598 N ALA A 39 0.644 4.412 0.935 1.00 0.33 N ATOM 599 CA ALA A 39 0.368 4.492 -0.524 1.00 0.43 C ATOM 600 C ALA A 39 -0.970 5.167 -0.764 1.00 0.38 C ATOM 601 O ALA A 39 -1.840 5.158 0.074 1.00 0.51 O ATOM 602 CB ALA A 39 0.341 3.085 -1.126 1.00 0.53 C ATOM 0 H ALA A 39 0.204 3.630 1.420 1.00 0.33 H new ATOM 0 HA ALA A 39 1.157 5.076 -0.999 1.00 0.43 H new ATOM 0 HB1 ALA A 39 0.138 3.150 -2.195 1.00 0.53 H new ATOM 0 HB2 ALA A 39 1.306 2.603 -0.968 1.00 0.53 H new ATOM 0 HB3 ALA A 39 -0.441 2.498 -0.644 1.00 0.53 H new ATOM 608 N ILE A 40 -1.148 5.744 -1.910 1.00 0.26 N ATOM 609 CA ILE A 40 -2.444 6.403 -2.198 1.00 0.25 C ATOM 610 C ILE A 40 -3.216 5.519 -3.172 1.00 0.23 C ATOM 611 O ILE A 40 -2.963 5.507 -4.360 1.00 0.26 O ATOM 612 CB ILE A 40 -2.203 7.780 -2.821 1.00 0.29 C ATOM 613 CG1 ILE A 40 -1.623 8.725 -1.763 1.00 0.65 C ATOM 614 CG2 ILE A 40 -3.531 8.345 -3.330 1.00 0.53 C ATOM 615 CD1 ILE A 40 -0.294 8.169 -1.246 1.00 0.47 C ATOM 0 H ILE A 40 -0.456 5.789 -2.658 1.00 0.26 H new ATOM 0 HA ILE A 40 -3.012 6.538 -1.278 1.00 0.25 H new ATOM 0 HB ILE A 40 -1.502 7.687 -3.650 1.00 0.29 H new ATOM 0 HG12 ILE A 40 -1.472 9.716 -2.191 1.00 0.65 H new ATOM 0 HG13 ILE A 40 -2.326 8.838 -0.938 1.00 0.65 H new ATOM 0 HG21 ILE A 40 -3.363 9.326 -3.774 1.00 0.53 H new ATOM 0 HG22 ILE A 40 -3.948 7.674 -4.080 1.00 0.53 H new ATOM 0 HG23 ILE A 40 -4.229 8.439 -2.498 1.00 0.53 H new ATOM 0 HD11 ILE A 40 0.115 8.844 -0.494 1.00 0.47 H new ATOM 0 HD12 ILE A 40 -0.459 7.187 -0.802 1.00 0.47 H new ATOM 0 HD13 ILE A 40 0.409 8.079 -2.074 1.00 0.47 H new ATOM 627 N LEU A 41 -4.154 4.768 -2.668 1.00 0.23 N ATOM 628 CA LEU A 41 -4.945 3.872 -3.544 1.00 0.24 C ATOM 629 C LEU A 41 -6.349 4.442 -3.660 1.00 0.25 C ATOM 630 O LEU A 41 -6.967 4.746 -2.667 1.00 0.30 O ATOM 631 CB LEU A 41 -5.003 2.473 -2.937 1.00 0.28 C ATOM 632 CG LEU A 41 -3.743 1.701 -3.327 1.00 0.38 C ATOM 633 CD1 LEU A 41 -3.749 0.343 -2.637 1.00 0.72 C ATOM 634 CD2 LEU A 41 -3.718 1.491 -4.840 1.00 0.44 C ATOM 0 H LEU A 41 -4.406 4.739 -1.680 1.00 0.23 H new ATOM 0 HA LEU A 41 -4.483 3.804 -4.529 1.00 0.24 H new ATOM 0 HB2 LEU A 41 -5.082 2.538 -1.852 1.00 0.28 H new ATOM 0 HB3 LEU A 41 -5.890 1.947 -3.291 1.00 0.28 H new ATOM 0 HG LEU A 41 -2.864 2.268 -3.021 1.00 0.38 H new ATOM 0 HD11 LEU A 41 -2.851 -0.210 -2.914 1.00 0.72 H new ATOM 0 HD12 LEU A 41 -3.770 0.484 -1.556 1.00 0.72 H new ATOM 0 HD13 LEU A 41 -4.630 -0.219 -2.947 1.00 0.72 H new ATOM 0 HD21 LEU A 41 -2.819 0.940 -5.116 1.00 0.44 H new ATOM 0 HD22 LEU A 41 -4.598 0.924 -5.143 1.00 0.44 H new ATOM 0 HD23 LEU A 41 -3.719 2.459 -5.342 1.00 0.44 H new ATOM 646 N PRO A 42 -6.804 4.594 -4.867 1.00 0.24 N ATOM 647 CA PRO A 42 -8.132 5.152 -5.137 1.00 0.27 C ATOM 648 C PRO A 42 -9.260 4.188 -4.906 1.00 0.26 C ATOM 649 O PRO A 42 -9.128 3.157 -4.277 1.00 0.26 O ATOM 650 CB PRO A 42 -8.099 5.506 -6.605 1.00 0.34 C ATOM 651 CG PRO A 42 -6.949 4.680 -7.237 1.00 0.35 C ATOM 652 CD PRO A 42 -6.038 4.234 -6.074 1.00 0.28 C ATOM 0 HA PRO A 42 -8.320 5.989 -4.464 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -9.051 5.271 -7.081 1.00 0.34 H new ATOM 0 HB3 PRO A 42 -7.929 6.574 -6.742 1.00 0.34 H new ATOM 0 HG2 PRO A 42 -7.342 3.817 -7.775 1.00 0.35 H new ATOM 0 HG3 PRO A 42 -6.392 5.279 -7.958 1.00 0.35 H new ATOM 0 HD2 PRO A 42 -5.834 3.164 -6.114 1.00 0.28 H new ATOM 0 HD3 PRO A 42 -5.075 4.743 -6.103 1.00 0.28 H new ATOM 660 N GLY A 43 -10.388 4.551 -5.433 1.00 0.31 N ATOM 661 CA GLY A 43 -11.571 3.713 -5.285 1.00 0.37 C ATOM 662 C GLY A 43 -11.880 3.026 -6.613 1.00 0.45 C ATOM 663 O GLY A 43 -12.995 2.617 -6.870 1.00 0.57 O ATOM 0 H GLY A 43 -10.530 5.409 -5.966 1.00 0.31 H new ATOM 0 HA2 GLY A 43 -11.406 2.967 -4.508 1.00 0.37 H new ATOM 0 HA3 GLY A 43 -12.421 4.318 -4.970 1.00 0.37 H new ATOM 667 N ASP A 44 -10.896 2.895 -7.456 1.00 0.46 N ATOM 668 CA ASP A 44 -11.114 2.235 -8.765 1.00 0.57 C ATOM 669 C ASP A 44 -9.839 1.495 -9.158 1.00 0.52 C ATOM 670 O ASP A 44 -9.474 1.430 -10.315 1.00 0.58 O ATOM 671 CB ASP A 44 -11.449 3.286 -9.825 1.00 0.68 C ATOM 672 CG ASP A 44 -10.567 4.519 -9.619 1.00 1.66 C ATOM 673 OD1 ASP A 44 -9.357 4.362 -9.609 1.00 2.44 O ATOM 674 OD2 ASP A 44 -11.116 5.599 -9.474 1.00 2.38 O ATOM 0 H ASP A 44 -9.944 3.220 -7.290 1.00 0.46 H new ATOM 0 HA ASP A 44 -11.944 1.532 -8.692 1.00 0.57 H new ATOM 0 HB2 ASP A 44 -11.291 2.875 -10.822 1.00 0.68 H new ATOM 0 HB3 ASP A 44 -12.501 3.563 -9.758 1.00 0.68 H new ATOM 679 N ILE A 45 -9.159 0.935 -8.197 1.00 0.45 N ATOM 680 CA ILE A 45 -7.912 0.199 -8.488 1.00 0.45 C ATOM 681 C ILE A 45 -8.123 -1.238 -8.029 1.00 0.56 C ATOM 682 O ILE A 45 -9.238 -1.702 -7.899 1.00 1.28 O ATOM 683 CB ILE A 45 -6.768 0.883 -7.704 1.00 0.38 C ATOM 684 CG1 ILE A 45 -5.449 0.762 -8.466 1.00 0.45 C ATOM 685 CG2 ILE A 45 -6.592 0.264 -6.309 1.00 0.33 C ATOM 686 CD1 ILE A 45 -4.321 1.283 -7.572 1.00 0.46 C ATOM 0 H ILE A 45 -9.423 0.960 -7.212 1.00 0.45 H new ATOM 0 HA ILE A 45 -7.656 0.202 -9.547 1.00 0.45 H new ATOM 0 HB ILE A 45 -7.038 1.933 -7.593 1.00 0.38 H new ATOM 0 HG12 ILE A 45 -5.265 -0.276 -8.742 1.00 0.45 H new ATOM 0 HG13 ILE A 45 -5.493 1.335 -9.392 1.00 0.45 H new ATOM 0 HG21 ILE A 45 -5.780 0.769 -5.787 1.00 0.33 H new ATOM 0 HG22 ILE A 45 -7.515 0.378 -5.741 1.00 0.33 H new ATOM 0 HG23 ILE A 45 -6.356 -0.796 -6.408 1.00 0.33 H new ATOM 0 HD11 ILE A 45 -3.371 1.204 -8.101 1.00 0.46 H new ATOM 0 HD12 ILE A 45 -4.510 2.326 -7.319 1.00 0.46 H new ATOM 0 HD13 ILE A 45 -4.278 0.690 -6.658 1.00 0.46 H new ATOM 698 N ALA A 46 -7.076 -1.917 -7.718 1.00 0.48 N ATOM 699 CA ALA A 46 -7.220 -3.285 -7.194 1.00 0.46 C ATOM 700 C ALA A 46 -7.236 -3.137 -5.682 1.00 0.38 C ATOM 701 O ALA A 46 -6.503 -3.786 -4.975 1.00 0.39 O ATOM 702 CB ALA A 46 -6.035 -4.144 -7.630 1.00 0.53 C ATOM 0 H ALA A 46 -6.116 -1.582 -7.804 1.00 0.48 H new ATOM 0 HA ALA A 46 -8.123 -3.771 -7.564 1.00 0.46 H new ATOM 0 HB1 ALA A 46 -6.153 -5.154 -7.236 1.00 0.53 H new ATOM 0 HB2 ALA A 46 -5.994 -4.182 -8.719 1.00 0.53 H new ATOM 0 HB3 ALA A 46 -5.111 -3.711 -7.247 1.00 0.53 H new ATOM 708 N GLU A 47 -8.055 -2.241 -5.197 1.00 0.34 N ATOM 709 CA GLU A 47 -8.130 -1.985 -3.735 1.00 0.35 C ATOM 710 C GLU A 47 -8.169 -3.312 -2.992 1.00 0.38 C ATOM 711 O GLU A 47 -7.337 -3.600 -2.155 1.00 0.47 O ATOM 712 CB GLU A 47 -9.401 -1.205 -3.426 1.00 0.42 C ATOM 713 CG GLU A 47 -9.558 -0.040 -4.409 1.00 0.36 C ATOM 714 CD GLU A 47 -10.541 -0.429 -5.515 1.00 0.50 C ATOM 715 OE1 GLU A 47 -10.697 -1.616 -5.753 1.00 1.21 O ATOM 716 OE2 GLU A 47 -11.127 0.466 -6.101 1.00 1.22 O ATOM 0 H GLU A 47 -8.682 -1.670 -5.763 1.00 0.34 H new ATOM 0 HA GLU A 47 -7.258 -1.412 -3.420 1.00 0.35 H new ATOM 0 HB2 GLU A 47 -10.266 -1.865 -3.491 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -9.365 -0.826 -2.405 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -9.917 0.845 -3.884 1.00 0.36 H new ATOM 0 HG3 GLU A 47 -8.591 0.216 -4.842 1.00 0.36 H new ATOM 723 N ASP A 48 -9.137 -4.118 -3.298 1.00 0.44 N ATOM 724 CA ASP A 48 -9.261 -5.434 -2.630 1.00 0.49 C ATOM 725 C ASP A 48 -8.046 -6.294 -2.971 1.00 0.47 C ATOM 726 O ASP A 48 -7.667 -7.186 -2.236 1.00 0.47 O ATOM 727 CB ASP A 48 -10.514 -6.118 -3.142 1.00 0.59 C ATOM 728 CG ASP A 48 -11.637 -5.091 -3.303 1.00 0.71 C ATOM 729 OD1 ASP A 48 -11.860 -4.336 -2.371 1.00 1.33 O ATOM 730 OD2 ASP A 48 -12.253 -5.077 -4.356 1.00 1.33 O ATOM 0 H ASP A 48 -9.858 -3.919 -3.992 1.00 0.44 H new ATOM 0 HA ASP A 48 -9.318 -5.300 -1.550 1.00 0.49 H new ATOM 0 HB2 ASP A 48 -10.311 -6.601 -4.098 1.00 0.59 H new ATOM 0 HB3 ASP A 48 -10.821 -6.901 -2.448 1.00 0.59 H new ATOM 735 N ASP A 49 -7.440 -6.028 -4.088 1.00 0.47 N ATOM 736 CA ASP A 49 -6.252 -6.815 -4.513 1.00 0.49 C ATOM 737 C ASP A 49 -5.031 -6.354 -3.730 1.00 0.43 C ATOM 738 O ASP A 49 -4.051 -7.060 -3.619 1.00 0.53 O ATOM 739 CB ASP A 49 -6.012 -6.584 -6.000 1.00 0.56 C ATOM 740 CG ASP A 49 -5.774 -7.925 -6.697 1.00 0.64 C ATOM 741 OD1 ASP A 49 -4.635 -8.362 -6.724 1.00 1.29 O ATOM 742 OD2 ASP A 49 -6.734 -8.492 -7.191 1.00 1.26 O ATOM 0 H ASP A 49 -7.719 -5.290 -4.734 1.00 0.47 H new ATOM 0 HA ASP A 49 -6.425 -7.874 -4.324 1.00 0.49 H new ATOM 0 HB2 ASP A 49 -6.871 -6.080 -6.443 1.00 0.56 H new ATOM 0 HB3 ASP A 49 -5.151 -5.931 -6.142 1.00 0.56 H new ATOM 747 N ILE A 50 -5.086 -5.177 -3.176 1.00 0.48 N ATOM 748 CA ILE A 50 -3.934 -4.679 -2.391 1.00 0.48 C ATOM 749 C ILE A 50 -4.096 -5.177 -0.965 1.00 0.49 C ATOM 750 O ILE A 50 -3.238 -5.841 -0.419 1.00 0.54 O ATOM 751 CB ILE A 50 -3.922 -3.149 -2.398 1.00 0.54 C ATOM 752 CG1 ILE A 50 -4.003 -2.618 -3.837 1.00 0.62 C ATOM 753 CG2 ILE A 50 -2.634 -2.650 -1.752 1.00 0.61 C ATOM 754 CD1 ILE A 50 -3.195 -3.515 -4.781 1.00 1.25 C ATOM 0 H ILE A 50 -5.881 -4.541 -3.235 1.00 0.48 H new ATOM 0 HA ILE A 50 -2.999 -5.037 -2.822 1.00 0.48 H new ATOM 0 HB ILE A 50 -4.785 -2.789 -1.838 1.00 0.54 H new ATOM 0 HG12 ILE A 50 -5.043 -2.582 -4.160 1.00 0.62 H new ATOM 0 HG13 ILE A 50 -3.621 -1.598 -3.878 1.00 0.62 H new ATOM 0 HG21 ILE A 50 -2.623 -1.560 -1.756 1.00 0.61 H new ATOM 0 HG22 ILE A 50 -2.579 -3.010 -0.724 1.00 0.61 H new ATOM 0 HG23 ILE A 50 -1.777 -3.023 -2.313 1.00 0.61 H new ATOM 0 HD11 ILE A 50 -3.261 -3.127 -5.797 1.00 1.25 H new ATOM 0 HD12 ILE A 50 -2.152 -3.529 -4.465 1.00 1.25 H new ATOM 0 HD13 ILE A 50 -3.596 -4.528 -4.753 1.00 1.25 H new ATOM 766 N THR A 51 -5.213 -4.878 -0.368 1.00 0.51 N ATOM 767 CA THR A 51 -5.465 -5.349 1.013 1.00 0.57 C ATOM 768 C THR A 51 -5.066 -6.824 1.089 1.00 0.53 C ATOM 769 O THR A 51 -4.625 -7.314 2.109 1.00 0.61 O ATOM 770 CB THR A 51 -6.959 -5.191 1.320 1.00 0.64 C ATOM 771 OG1 THR A 51 -7.228 -3.837 1.654 1.00 0.79 O ATOM 772 CG2 THR A 51 -7.355 -6.094 2.492 1.00 0.80 C ATOM 0 H THR A 51 -5.964 -4.325 -0.782 1.00 0.51 H new ATOM 0 HA THR A 51 -4.889 -4.773 1.737 1.00 0.57 H new ATOM 0 HB THR A 51 -7.537 -5.477 0.441 1.00 0.64 H new ATOM 0 HG1 THR A 51 -6.408 -3.308 1.561 1.00 0.79 H new ATOM 0 HG21 THR A 51 -8.418 -5.974 2.701 1.00 0.80 H new ATOM 0 HG22 THR A 51 -7.151 -7.134 2.235 1.00 0.80 H new ATOM 0 HG23 THR A 51 -6.778 -5.818 3.375 1.00 0.80 H new ATOM 780 N ALA A 52 -5.225 -7.528 0.002 1.00 0.48 N ATOM 781 CA ALA A 52 -4.868 -8.967 -0.028 1.00 0.52 C ATOM 782 C ALA A 52 -3.389 -9.132 -0.389 1.00 0.49 C ATOM 783 O ALA A 52 -2.708 -9.997 0.124 1.00 0.60 O ATOM 784 CB ALA A 52 -5.722 -9.667 -1.084 1.00 0.59 C ATOM 0 H ALA A 52 -5.592 -7.159 -0.875 1.00 0.48 H new ATOM 0 HA ALA A 52 -5.048 -9.405 0.954 1.00 0.52 H new ATOM 0 HB1 ALA A 52 -5.467 -10.726 -1.114 1.00 0.59 H new ATOM 0 HB2 ALA A 52 -6.777 -9.554 -0.832 1.00 0.59 H new ATOM 0 HB3 ALA A 52 -5.532 -9.220 -2.060 1.00 0.59 H new ATOM 790 N VAL A 53 -2.892 -8.316 -1.278 1.00 0.45 N ATOM 791 CA VAL A 53 -1.462 -8.433 -1.684 1.00 0.51 C ATOM 792 C VAL A 53 -0.573 -7.798 -0.618 1.00 0.49 C ATOM 793 O VAL A 53 0.192 -8.466 0.049 1.00 0.74 O ATOM 794 CB VAL A 53 -1.263 -7.718 -3.035 1.00 0.61 C ATOM 795 CG1 VAL A 53 0.117 -7.050 -3.112 1.00 1.38 C ATOM 796 CG2 VAL A 53 -1.373 -8.743 -4.157 1.00 1.16 C ATOM 0 H VAL A 53 -3.415 -7.573 -1.741 1.00 0.45 H new ATOM 0 HA VAL A 53 -1.191 -9.484 -1.787 1.00 0.51 H new ATOM 0 HB VAL A 53 -2.029 -6.948 -3.134 1.00 0.61 H new ATOM 0 HG11 VAL A 53 0.228 -6.554 -4.076 1.00 1.38 H new ATOM 0 HG12 VAL A 53 0.210 -6.315 -2.313 1.00 1.38 H new ATOM 0 HG13 VAL A 53 0.894 -7.806 -3.002 1.00 1.38 H new ATOM 0 HG21 VAL A 53 -1.234 -8.247 -5.118 1.00 1.16 H new ATOM 0 HG22 VAL A 53 -0.606 -9.507 -4.028 1.00 1.16 H new ATOM 0 HG23 VAL A 53 -2.358 -9.209 -4.129 1.00 1.16 H new ATOM 806 N LEU A 54 -0.651 -6.508 -0.481 1.00 0.48 N ATOM 807 CA LEU A 54 0.205 -5.811 0.512 1.00 0.49 C ATOM 808 C LEU A 54 0.289 -6.616 1.804 1.00 0.44 C ATOM 809 O LEU A 54 1.347 -6.781 2.362 1.00 0.47 O ATOM 810 CB LEU A 54 -0.380 -4.436 0.834 1.00 0.53 C ATOM 811 CG LEU A 54 -0.049 -3.449 -0.273 1.00 1.12 C ATOM 812 CD1 LEU A 54 -0.388 -2.034 0.196 1.00 1.58 C ATOM 813 CD2 LEU A 54 1.439 -3.528 -0.622 1.00 2.03 C ATOM 0 H LEU A 54 -1.274 -5.903 -1.017 1.00 0.48 H new ATOM 0 HA LEU A 54 1.201 -5.703 0.083 1.00 0.49 H new ATOM 0 HB2 LEU A 54 -1.461 -4.512 0.952 1.00 0.53 H new ATOM 0 HB3 LEU A 54 0.019 -4.076 1.782 1.00 0.53 H new ATOM 0 HG LEU A 54 -0.634 -3.695 -1.159 1.00 1.12 H new ATOM 0 HD11 LEU A 54 -0.152 -1.322 -0.595 1.00 1.58 H new ATOM 0 HD12 LEU A 54 -1.450 -1.974 0.433 1.00 1.58 H new ATOM 0 HD13 LEU A 54 0.196 -1.795 1.085 1.00 1.58 H new ATOM 0 HD21 LEU A 54 1.665 -2.816 -1.416 1.00 2.03 H new ATOM 0 HD22 LEU A 54 2.033 -3.288 0.260 1.00 2.03 H new ATOM 0 HD23 LEU A 54 1.681 -4.536 -0.959 1.00 2.03 H new ATOM 825 N CYS A 55 -0.814 -7.101 2.299 1.00 0.43 N ATOM 826 CA CYS A 55 -0.766 -7.870 3.573 1.00 0.43 C ATOM 827 C CYS A 55 0.064 -9.138 3.387 1.00 0.45 C ATOM 828 O CYS A 55 0.860 -9.498 4.226 1.00 0.48 O ATOM 829 CB CYS A 55 -2.187 -8.241 4.004 1.00 0.50 C ATOM 830 SG CYS A 55 -2.921 -9.356 2.782 1.00 1.73 S ATOM 0 H CYS A 55 -1.739 -7.000 1.881 1.00 0.43 H new ATOM 0 HA CYS A 55 -0.304 -7.254 4.344 1.00 0.43 H new ATOM 0 HB2 CYS A 55 -2.167 -8.720 4.983 1.00 0.50 H new ATOM 0 HB3 CYS A 55 -2.795 -7.341 4.102 1.00 0.50 H new ATOM 0 HG CYS A 55 -4.029 -8.842 2.336 1.00 1.73 H new ATOM 836 N PHE A 56 -0.089 -9.822 2.295 1.00 0.50 N ATOM 837 CA PHE A 56 0.718 -11.046 2.108 1.00 0.58 C ATOM 838 C PHE A 56 2.136 -10.655 1.711 1.00 0.59 C ATOM 839 O PHE A 56 2.988 -11.493 1.486 1.00 0.68 O ATOM 840 CB PHE A 56 0.092 -11.933 1.036 1.00 0.67 C ATOM 841 CG PHE A 56 -0.392 -13.218 1.663 1.00 0.78 C ATOM 842 CD1 PHE A 56 0.525 -14.108 2.234 1.00 1.42 C ATOM 843 CD2 PHE A 56 -1.759 -13.519 1.673 1.00 1.46 C ATOM 844 CE1 PHE A 56 0.075 -15.299 2.815 1.00 1.51 C ATOM 845 CE2 PHE A 56 -2.209 -14.710 2.254 1.00 1.57 C ATOM 846 CZ PHE A 56 -1.292 -15.600 2.826 1.00 1.09 C ATOM 0 H PHE A 56 -0.728 -9.590 1.535 1.00 0.50 H new ATOM 0 HA PHE A 56 0.747 -11.608 3.042 1.00 0.58 H new ATOM 0 HB2 PHE A 56 -0.739 -11.413 0.559 1.00 0.67 H new ATOM 0 HB3 PHE A 56 0.822 -12.149 0.256 1.00 0.67 H new ATOM 0 HD1 PHE A 56 1.580 -13.876 2.226 1.00 1.42 H new ATOM 0 HD2 PHE A 56 -2.466 -12.832 1.232 1.00 1.46 H new ATOM 0 HE1 PHE A 56 0.783 -15.986 3.255 1.00 1.51 H new ATOM 0 HE2 PHE A 56 -3.264 -14.943 2.261 1.00 1.57 H new ATOM 0 HZ PHE A 56 -1.639 -16.519 3.276 1.00 1.09 H new ATOM 856 N VAL A 57 2.402 -9.384 1.659 1.00 0.53 N ATOM 857 CA VAL A 57 3.761 -8.918 1.323 1.00 0.57 C ATOM 858 C VAL A 57 4.397 -8.403 2.614 1.00 0.53 C ATOM 859 O VAL A 57 5.557 -8.045 2.652 1.00 0.58 O ATOM 860 CB VAL A 57 3.678 -7.785 0.299 1.00 0.60 C ATOM 861 CG1 VAL A 57 5.087 -7.304 -0.051 1.00 0.71 C ATOM 862 CG2 VAL A 57 2.982 -8.292 -0.966 1.00 0.69 C ATOM 0 H VAL A 57 1.724 -8.643 1.838 1.00 0.53 H new ATOM 0 HA VAL A 57 4.354 -9.726 0.896 1.00 0.57 H new ATOM 0 HB VAL A 57 3.109 -6.957 0.721 1.00 0.60 H new ATOM 0 HG11 VAL A 57 5.025 -6.497 -0.781 1.00 0.71 H new ATOM 0 HG12 VAL A 57 5.582 -6.942 0.850 1.00 0.71 H new ATOM 0 HG13 VAL A 57 5.660 -8.131 -0.472 1.00 0.71 H new ATOM 0 HG21 VAL A 57 2.922 -7.485 -1.697 1.00 0.69 H new ATOM 0 HG22 VAL A 57 3.551 -9.121 -1.387 1.00 0.69 H new ATOM 0 HG23 VAL A 57 1.976 -8.631 -0.717 1.00 0.69 H new ATOM 872 N ILE A 58 3.634 -8.377 3.683 1.00 0.47 N ATOM 873 CA ILE A 58 4.179 -7.903 4.983 1.00 0.47 C ATOM 874 C ILE A 58 3.571 -8.727 6.127 1.00 0.45 C ATOM 875 O ILE A 58 4.280 -9.341 6.900 1.00 0.53 O ATOM 876 CB ILE A 58 3.856 -6.412 5.200 1.00 0.47 C ATOM 877 CG1 ILE A 58 2.928 -5.894 4.091 1.00 0.58 C ATOM 878 CG2 ILE A 58 5.155 -5.612 5.183 1.00 0.51 C ATOM 879 CD1 ILE A 58 2.971 -4.361 4.030 1.00 0.43 C ATOM 0 H ILE A 58 2.656 -8.666 3.704 1.00 0.47 H new ATOM 0 HA ILE A 58 5.262 -8.028 4.970 1.00 0.47 H new ATOM 0 HB ILE A 58 3.354 -6.296 6.160 1.00 0.47 H new ATOM 0 HG12 ILE A 58 3.231 -6.311 3.131 1.00 0.58 H new ATOM 0 HG13 ILE A 58 1.907 -6.228 4.276 1.00 0.58 H new ATOM 0 HG21 ILE A 58 4.934 -4.556 5.336 1.00 0.51 H new ATOM 0 HG22 ILE A 58 5.810 -5.965 5.980 1.00 0.51 H new ATOM 0 HG23 ILE A 58 5.651 -5.743 4.221 1.00 0.51 H new ATOM 0 HD11 ILE A 58 2.308 -4.010 3.239 1.00 0.43 H new ATOM 0 HD12 ILE A 58 2.646 -3.950 4.986 1.00 0.43 H new ATOM 0 HD13 ILE A 58 3.990 -4.034 3.822 1.00 0.43 H new ATOM 891 N GLU A 59 2.267 -8.745 6.251 1.00 0.40 N ATOM 892 CA GLU A 59 1.634 -9.523 7.346 1.00 0.42 C ATOM 893 C GLU A 59 0.114 -9.510 7.172 1.00 0.40 C ATOM 894 O GLU A 59 -0.405 -9.513 6.077 1.00 0.55 O ATOM 895 CB GLU A 59 2.023 -8.903 8.689 1.00 0.50 C ATOM 896 CG GLU A 59 1.406 -7.512 8.820 1.00 0.91 C ATOM 897 CD GLU A 59 1.277 -7.156 10.303 1.00 1.21 C ATOM 898 OE1 GLU A 59 0.337 -7.623 10.925 1.00 1.77 O ATOM 899 OE2 GLU A 59 2.122 -6.425 10.792 1.00 1.75 O ATOM 0 H GLU A 59 1.618 -8.252 5.638 1.00 0.40 H new ATOM 0 HA GLU A 59 1.979 -10.557 7.316 1.00 0.42 H new ATOM 0 HB2 GLU A 59 1.682 -9.540 9.505 1.00 0.50 H new ATOM 0 HB3 GLU A 59 3.108 -8.838 8.768 1.00 0.50 H new ATOM 0 HG2 GLU A 59 2.027 -6.776 8.310 1.00 0.91 H new ATOM 0 HG3 GLU A 59 0.427 -7.489 8.342 1.00 0.91 H new ATOM 906 N ALA A 60 -0.601 -9.495 8.248 1.00 0.43 N ATOM 907 CA ALA A 60 -2.089 -9.480 8.157 1.00 0.44 C ATOM 908 C ALA A 60 -2.672 -8.690 9.329 1.00 0.49 C ATOM 909 O ALA A 60 -3.751 -8.980 9.806 1.00 0.64 O ATOM 910 CB ALA A 60 -2.614 -10.914 8.209 1.00 0.49 C ATOM 0 H ALA A 60 -0.225 -9.492 9.196 1.00 0.43 H new ATOM 0 HA ALA A 60 -2.386 -9.010 7.219 1.00 0.44 H new ATOM 0 HB1 ALA A 60 -3.702 -10.906 8.143 1.00 0.49 H new ATOM 0 HB2 ALA A 60 -2.204 -11.482 7.374 1.00 0.49 H new ATOM 0 HB3 ALA A 60 -2.311 -11.378 9.147 1.00 0.49 H new ATOM 916 N ASP A 61 -1.971 -7.698 9.801 1.00 0.46 N ATOM 917 CA ASP A 61 -2.497 -6.904 10.946 1.00 0.54 C ATOM 918 C ASP A 61 -1.842 -5.518 10.983 1.00 0.55 C ATOM 919 O ASP A 61 -1.925 -4.815 11.971 1.00 0.70 O ATOM 920 CB ASP A 61 -2.200 -7.644 12.246 1.00 0.66 C ATOM 921 CG ASP A 61 -3.399 -7.525 13.188 1.00 1.27 C ATOM 922 OD1 ASP A 61 -4.375 -6.906 12.797 1.00 2.01 O ATOM 923 OD2 ASP A 61 -3.320 -8.053 14.285 1.00 1.85 O ATOM 0 H ASP A 61 -1.061 -7.403 9.446 1.00 0.46 H new ATOM 0 HA ASP A 61 -3.573 -6.778 10.827 1.00 0.54 H new ATOM 0 HB2 ASP A 61 -1.990 -8.693 12.039 1.00 0.66 H new ATOM 0 HB3 ASP A 61 -1.310 -7.228 12.719 1.00 0.66 H new ATOM 928 N GLN A 62 -1.200 -5.111 9.919 1.00 0.46 N ATOM 929 CA GLN A 62 -0.556 -3.770 9.908 1.00 0.52 C ATOM 930 C GLN A 62 -0.955 -3.034 8.629 1.00 0.49 C ATOM 931 O GLN A 62 -0.370 -2.034 8.267 1.00 0.55 O ATOM 932 CB GLN A 62 0.961 -3.931 9.955 1.00 0.60 C ATOM 933 CG GLN A 62 1.459 -3.704 11.386 1.00 1.63 C ATOM 934 CD GLN A 62 0.586 -4.489 12.366 1.00 2.42 C ATOM 935 OE1 GLN A 62 0.446 -5.690 12.247 1.00 3.01 O ATOM 936 NE2 GLN A 62 -0.012 -3.857 13.339 1.00 3.13 N ATOM 0 H GLN A 62 -1.095 -5.651 9.060 1.00 0.46 H new ATOM 0 HA GLN A 62 -0.882 -3.198 10.777 1.00 0.52 H new ATOM 0 HB2 GLN A 62 1.241 -4.928 9.616 1.00 0.60 H new ATOM 0 HB3 GLN A 62 1.433 -3.219 9.278 1.00 0.60 H new ATOM 0 HG2 GLN A 62 2.498 -4.022 11.474 1.00 1.63 H new ATOM 0 HG3 GLN A 62 1.429 -2.642 11.628 1.00 1.63 H new ATOM 0 HE21 GLN A 62 0.105 -2.849 13.440 1.00 3.13 H new ATOM 0 HE22 GLN A 62 -0.596 -4.371 13.998 1.00 3.13 H new ATOM 945 N ILE A 63 -1.948 -3.529 7.941 1.00 0.47 N ATOM 946 CA ILE A 63 -2.389 -2.869 6.682 1.00 0.50 C ATOM 947 C ILE A 63 -3.775 -2.247 6.894 1.00 0.46 C ATOM 948 O ILE A 63 -4.634 -2.821 7.534 1.00 0.65 O ATOM 949 CB ILE A 63 -2.422 -3.923 5.556 1.00 0.56 C ATOM 950 CG1 ILE A 63 -1.168 -3.772 4.697 1.00 1.05 C ATOM 951 CG2 ILE A 63 -3.658 -3.747 4.663 1.00 0.64 C ATOM 952 CD1 ILE A 63 -0.251 -4.976 4.907 1.00 0.47 C ATOM 0 H ILE A 63 -2.473 -4.364 8.199 1.00 0.47 H new ATOM 0 HA ILE A 63 -1.697 -2.075 6.402 1.00 0.50 H new ATOM 0 HB ILE A 63 -2.463 -4.912 6.013 1.00 0.56 H new ATOM 0 HG12 ILE A 63 -1.443 -3.692 3.645 1.00 1.05 H new ATOM 0 HG13 ILE A 63 -0.644 -2.853 4.960 1.00 1.05 H new ATOM 0 HG21 ILE A 63 -3.652 -4.505 3.880 1.00 0.64 H new ATOM 0 HG22 ILE A 63 -4.560 -3.855 5.265 1.00 0.64 H new ATOM 0 HG23 ILE A 63 -3.641 -2.756 4.209 1.00 0.64 H new ATOM 0 HD11 ILE A 63 0.642 -4.865 4.293 1.00 0.47 H new ATOM 0 HD12 ILE A 63 0.036 -5.036 5.957 1.00 0.47 H new ATOM 0 HD13 ILE A 63 -0.776 -5.888 4.622 1.00 0.47 H new ATOM 964 N THR A 64 -3.997 -1.078 6.357 1.00 0.33 N ATOM 965 CA THR A 64 -5.324 -0.422 6.522 1.00 0.35 C ATOM 966 C THR A 64 -5.506 0.638 5.434 1.00 0.32 C ATOM 967 O THR A 64 -4.579 1.334 5.074 1.00 0.36 O ATOM 968 CB THR A 64 -5.395 0.243 7.899 1.00 0.45 C ATOM 969 OG1 THR A 64 -4.867 -0.641 8.877 1.00 0.76 O ATOM 970 CG2 THR A 64 -6.850 0.571 8.236 1.00 0.71 C ATOM 0 H THR A 64 -3.316 -0.549 5.811 1.00 0.33 H new ATOM 0 HA THR A 64 -6.113 -1.169 6.438 1.00 0.35 H new ATOM 0 HB THR A 64 -4.812 1.164 7.889 1.00 0.45 H new ATOM 0 HG1 THR A 64 -5.082 -1.565 8.632 1.00 0.76 H new ATOM 0 HG21 THR A 64 -6.899 1.044 9.217 1.00 0.71 H new ATOM 0 HG22 THR A 64 -7.253 1.250 7.485 1.00 0.71 H new ATOM 0 HG23 THR A 64 -7.437 -0.347 8.247 1.00 0.71 H new ATOM 978 N PHE A 65 -6.695 0.774 4.912 1.00 0.32 N ATOM 979 CA PHE A 65 -6.927 1.798 3.856 1.00 0.35 C ATOM 980 C PHE A 65 -7.764 2.938 4.446 1.00 0.44 C ATOM 981 O PHE A 65 -8.904 2.755 4.826 1.00 0.88 O ATOM 982 CB PHE A 65 -7.665 1.167 2.669 1.00 0.41 C ATOM 983 CG PHE A 65 -6.685 0.397 1.808 1.00 0.39 C ATOM 984 CD1 PHE A 65 -5.786 -0.501 2.400 1.00 1.25 C ATOM 985 CD2 PHE A 65 -6.677 0.574 0.414 1.00 1.21 C ATOM 986 CE1 PHE A 65 -4.886 -1.217 1.603 1.00 1.26 C ATOM 987 CE2 PHE A 65 -5.778 -0.144 -0.379 1.00 1.24 C ATOM 988 CZ PHE A 65 -4.882 -1.039 0.215 1.00 0.51 C ATOM 0 H PHE A 65 -7.513 0.222 5.171 1.00 0.32 H new ATOM 0 HA PHE A 65 -5.971 2.187 3.505 1.00 0.35 H new ATOM 0 HB2 PHE A 65 -8.449 0.501 3.029 1.00 0.41 H new ATOM 0 HB3 PHE A 65 -8.152 1.942 2.078 1.00 0.41 H new ATOM 0 HD1 PHE A 65 -5.788 -0.640 3.471 1.00 1.25 H new ATOM 0 HD2 PHE A 65 -7.367 1.266 -0.045 1.00 1.21 H new ATOM 0 HE1 PHE A 65 -4.193 -1.908 2.060 1.00 1.26 H new ATOM 0 HE2 PHE A 65 -5.775 -0.008 -1.450 1.00 1.24 H new ATOM 0 HZ PHE A 65 -4.187 -1.593 -0.398 1.00 0.51 H new ATOM 998 N GLU A 66 -7.195 4.109 4.541 1.00 0.49 N ATOM 999 CA GLU A 66 -7.934 5.267 5.124 1.00 0.50 C ATOM 1000 C GLU A 66 -8.296 6.260 4.018 1.00 0.51 C ATOM 1001 O GLU A 66 -7.466 7.028 3.578 1.00 0.77 O ATOM 1002 CB GLU A 66 -7.020 5.960 6.138 1.00 0.62 C ATOM 1003 CG GLU A 66 -7.817 6.331 7.389 1.00 0.81 C ATOM 1004 CD GLU A 66 -8.535 5.092 7.927 1.00 1.70 C ATOM 1005 OE1 GLU A 66 -8.252 4.009 7.440 1.00 2.39 O ATOM 1006 OE2 GLU A 66 -9.357 5.246 8.815 1.00 2.44 O ATOM 0 H GLU A 66 -6.243 4.315 4.238 1.00 0.49 H new ATOM 0 HA GLU A 66 -8.848 4.919 5.606 1.00 0.50 H new ATOM 0 HB2 GLU A 66 -6.193 5.302 6.405 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.584 6.856 5.695 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.150 6.736 8.150 1.00 0.81 H new ATOM 0 HG3 GLU A 66 -8.542 7.110 7.153 1.00 0.81 H new ATOM 1013 N THR A 67 -9.526 6.258 3.562 1.00 0.50 N ATOM 1014 CA THR A 67 -9.916 7.210 2.479 1.00 0.55 C ATOM 1015 C THR A 67 -9.293 8.578 2.753 1.00 0.59 C ATOM 1016 O THR A 67 -9.101 8.968 3.888 1.00 0.79 O ATOM 1017 CB THR A 67 -11.441 7.343 2.403 1.00 0.68 C ATOM 1018 OG1 THR A 67 -11.785 8.301 1.402 1.00 0.77 O ATOM 1019 CG2 THR A 67 -11.983 7.803 3.758 1.00 0.81 C ATOM 0 H THR A 67 -10.270 5.643 3.891 1.00 0.50 H new ATOM 0 HA THR A 67 -9.552 6.826 1.526 1.00 0.55 H new ATOM 0 HB THR A 67 -11.877 6.377 2.148 1.00 0.68 H new ATOM 0 HG1 THR A 67 -11.237 8.151 0.603 1.00 0.77 H new ATOM 0 HG21 THR A 67 -13.068 7.897 3.703 1.00 0.81 H new ATOM 0 HG22 THR A 67 -11.721 7.071 4.522 1.00 0.81 H new ATOM 0 HG23 THR A 67 -11.547 8.768 4.015 1.00 0.81 H new ATOM 1027 N VAL A 68 -8.972 9.309 1.723 1.00 0.73 N ATOM 1028 CA VAL A 68 -8.361 10.641 1.923 1.00 0.92 C ATOM 1029 C VAL A 68 -8.996 11.628 0.949 1.00 1.15 C ATOM 1030 O VAL A 68 -8.332 12.462 0.368 1.00 1.41 O ATOM 1031 CB VAL A 68 -6.854 10.562 1.669 1.00 1.28 C ATOM 1032 CG1 VAL A 68 -6.212 9.620 2.689 1.00 1.68 C ATOM 1033 CG2 VAL A 68 -6.605 10.028 0.256 1.00 1.82 C ATOM 0 H VAL A 68 -9.109 9.036 0.750 1.00 0.73 H new ATOM 0 HA VAL A 68 -8.530 10.973 2.947 1.00 0.92 H new ATOM 0 HB VAL A 68 -6.416 11.555 1.767 1.00 1.28 H new ATOM 0 HG11 VAL A 68 -5.139 9.564 2.508 1.00 1.68 H new ATOM 0 HG12 VAL A 68 -6.391 9.998 3.696 1.00 1.68 H new ATOM 0 HG13 VAL A 68 -6.649 8.626 2.592 1.00 1.68 H new ATOM 0 HG21 VAL A 68 -5.532 9.971 0.072 1.00 1.82 H new ATOM 0 HG22 VAL A 68 -7.043 9.035 0.160 1.00 1.82 H new ATOM 0 HG23 VAL A 68 -7.062 10.698 -0.472 1.00 1.82 H new ATOM 1043 N GLU A 69 -10.282 11.528 0.761 1.00 1.30 N ATOM 1044 CA GLU A 69 -10.971 12.448 -0.182 1.00 1.78 C ATOM 1045 C GLU A 69 -10.451 13.873 0.019 1.00 1.84 C ATOM 1046 O GLU A 69 -10.661 14.413 1.092 1.00 2.15 O ATOM 1047 CB GLU A 69 -12.479 12.410 0.079 1.00 2.24 C ATOM 1048 CG GLU A 69 -13.156 13.561 -0.669 1.00 2.77 C ATOM 1049 CD GLU A 69 -14.650 13.575 -0.339 1.00 3.38 C ATOM 1050 OE1 GLU A 69 -15.279 12.540 -0.487 1.00 3.95 O ATOM 1051 OE2 GLU A 69 -15.139 14.620 0.057 1.00 3.73 O ATOM 0 H GLU A 69 -10.886 10.847 1.221 1.00 1.30 H new ATOM 0 HA GLU A 69 -10.772 12.133 -1.206 1.00 1.78 H new ATOM 0 HB2 GLU A 69 -12.892 11.456 -0.250 1.00 2.24 H new ATOM 0 HB3 GLU A 69 -12.676 12.491 1.148 1.00 2.24 H new ATOM 0 HG2 GLU A 69 -12.701 14.510 -0.386 1.00 2.77 H new ATOM 0 HG3 GLU A 69 -13.011 13.446 -1.743 1.00 2.77 H new TER 1058 GLU A 69 END