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 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 8 HA PRO A 1 -9.281 7.548 -4.215 1.00 1.01 H ATOM 9 HB2 PRO A 1 -9.275 10.000 -2.732 1.00 0.93 H ATOM 10 HB3 PRO A 1 -9.026 9.801 -4.474 1.00 1.05 H ATOM 11 HG2 PRO A 1 -11.231 11.038 -3.266 1.00 1.03 H ATOM 12 HG3 PRO A 1 -11.135 10.497 -4.951 1.00 0.93 H ATOM 13 HD2 PRO A 1 -12.478 9.215 -2.638 1.00 0.89 H ATOM 14 HD3 PRO A 1 -12.863 9.105 -4.354 1.00 0.94 H 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 26 H ARG A 2 -7.929 6.601 -2.609 1.00 0.41 H ATOM 27 HA ARG A 2 -8.509 7.344 0.174 1.00 0.49 H ATOM 28 HB2 ARG A 2 -8.524 4.752 0.718 1.00 0.91 H ATOM 29 HB3 ARG A 2 -10.008 5.600 0.286 1.00 0.91 H ATOM 30 HG2 ARG A 2 -10.271 4.076 -1.342 1.00 1.50 H ATOM 31 HG3 ARG A 2 -8.921 4.836 -2.173 1.00 1.52 H ATOM 32 HD2 ARG A 2 -7.355 3.294 -1.272 1.00 1.42 H ATOM 33 HD3 ARG A 2 -8.482 2.769 -0.021 1.00 1.36 H ATOM 34 HE ARG A 2 -8.432 1.824 -2.801 1.00 0.48 H ATOM 35 HH11 ARG A 2 -8.908 0.227 -0.226 1.00 2.18 H ATOM 36 HH12 ARG A 2 -10.588 -0.163 -0.385 1.00 1.83 H ATOM 37 HH21 ARG A 2 -11.180 2.202 -2.847 1.00 2.13 H ATOM 38 HH22 ARG A 2 -11.873 0.953 -1.868 1.00 1.83 H 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 50 H ARG A 3 -7.050 6.250 1.718 1.00 0.66 H ATOM 51 HA ARG A 3 -4.294 6.039 0.566 1.00 0.48 H ATOM 52 HB2 ARG A 3 -4.364 7.854 2.092 1.00 0.74 H ATOM 53 HB3 ARG A 3 -5.424 6.993 3.205 1.00 0.67 H ATOM 54 HG2 ARG A 3 -3.267 6.984 4.222 1.00 0.78 H ATOM 55 HG3 ARG A 3 -3.489 5.362 3.573 1.00 0.73 H ATOM 56 HD2 ARG A 3 -1.448 5.743 2.616 1.00 1.45 H ATOM 57 HD3 ARG A 3 -2.394 6.630 1.421 1.00 1.69 H ATOM 58 HE ARG A 3 -1.201 8.008 3.790 1.00 1.59 H ATOM 59 HH11 ARG A 3 -3.026 9.015 1.373 1.00 2.29 H ATOM 60 HH12 ARG A 3 -1.842 9.956 0.529 1.00 2.43 H ATOM 61 HH21 ARG A 3 0.841 8.656 2.299 1.00 2.47 H ATOM 62 HH22 ARG A 3 0.347 9.754 1.054 1.00 2.53 H 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 71 H ILE A 4 -2.889 4.515 1.675 1.00 0.71 H ATOM 72 HA ILE A 4 -4.172 2.300 3.133 1.00 0.63 H ATOM 73 HB ILE A 4 -4.380 1.184 1.131 1.00 1.01 H ATOM 74 HG12 ILE A 4 -2.222 0.338 2.521 1.00 1.96 H ATOM 75 HG13 ILE A 4 -2.763 -0.442 1.040 1.00 1.70 H ATOM 76 HG21 ILE A 4 -2.311 3.125 0.150 1.00 1.56 H ATOM 77 HG22 ILE A 4 -2.697 1.694 -0.804 1.00 1.53 H ATOM 78 HG23 ILE A 4 -3.957 2.866 -0.421 1.00 1.60 H ATOM 79 HD11 ILE A 4 -0.928 1.852 0.644 1.00 1.80 H ATOM 80 HD12 ILE A 4 -0.218 0.450 1.440 1.00 1.79 H ATOM 81 HD13 ILE A 4 -0.956 0.281 -0.151 1.00 1.74 H 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 90 H ILE A 5 -2.873 2.548 4.939 1.00 0.52 H ATOM 91 HA ILE A 5 0.031 2.994 4.416 1.00 0.27 H ATOM 92 HB ILE A 5 -1.590 3.319 6.973 1.00 0.36 H ATOM 93 HG12 ILE A 5 -0.492 5.765 6.113 1.00 0.63 H ATOM 94 HG13 ILE A 5 -1.166 5.019 4.660 1.00 0.62 H ATOM 95 HG21 ILE A 5 0.790 2.736 7.350 1.00 1.12 H ATOM 96 HG22 ILE A 5 1.271 4.088 6.324 1.00 1.09 H ATOM 97 HG23 ILE A 5 0.436 4.391 7.848 1.00 1.10 H ATOM 98 HD11 ILE A 5 -2.688 5.257 7.270 1.00 1.25 H ATOM 99 HD12 ILE A 5 -2.807 6.439 5.967 1.00 1.17 H ATOM 100 HD13 ILE A 5 -3.329 4.776 5.700 1.00 1.09 H 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 109 H LEU A 6 1.560 1.591 5.422 1.00 0.37 H ATOM 110 HA LEU A 6 0.474 -0.822 6.787 1.00 0.33 H ATOM 111 HB2 LEU A 6 2.712 -1.116 4.810 1.00 0.54 H ATOM 112 HB3 LEU A 6 1.519 -2.309 5.329 1.00 0.67 H ATOM 113 HG LEU A 6 -0.124 -0.481 4.193 1.00 0.80 H ATOM 114 HD11 LEU A 6 2.482 0.323 3.404 1.00 1.61 H ATOM 115 HD12 LEU A 6 1.715 -0.393 1.987 1.00 1.68 H ATOM 116 HD13 LEU A 6 0.939 0.951 2.824 1.00 1.53 H ATOM 117 HD21 LEU A 6 0.829 -3.060 3.607 1.00 1.26 H ATOM 118 HD22 LEU A 6 -0.586 -2.269 2.914 1.00 1.34 H ATOM 119 HD23 LEU A 6 0.974 -2.155 2.101 1.00 1.43 H 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 126 H SER A 7 1.893 -1.698 8.347 1.00 0.39 H ATOM 127 HA SER A 7 4.493 -0.270 8.653 1.00 0.68 H ATOM 128 HB2 SER A 7 3.662 -0.737 11.254 1.00 1.20 H ATOM 129 HB3 SER A 7 3.652 0.808 10.407 1.00 1.27 H ATOM 130 HG SER A 7 1.572 0.678 10.729 1.00 1.47 H 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 142 H ARG A 8 5.721 -1.991 8.089 1.00 0.71 H ATOM 143 HA ARG A 8 6.207 -4.031 10.062 1.00 0.70 H ATOM 144 HB2 ARG A 8 4.053 -4.795 8.815 1.00 0.85 H ATOM 145 HB3 ARG A 8 5.144 -5.159 7.478 1.00 0.94 H ATOM 146 HG2 ARG A 8 4.760 -7.125 8.973 1.00 1.64 H ATOM 147 HG3 ARG A 8 6.456 -6.646 8.895 1.00 1.70 H ATOM 148 HD2 ARG A 8 6.400 -5.654 11.034 1.00 2.09 H ATOM 149 HD3 ARG A 8 4.639 -5.558 11.040 1.00 2.04 H ATOM 150 HE ARG A 8 4.611 -8.033 11.338 1.00 2.17 H ATOM 151 HH11 ARG A 8 7.551 -8.349 10.517 1.00 3.61 H ATOM 152 HH12 ARG A 8 8.282 -8.678 12.052 1.00 4.09 H ATOM 153 HH21 ARG A 8 5.551 -7.582 13.886 1.00 3.26 H ATOM 154 HH22 ARG A 8 7.151 -8.243 13.960 1.00 3.85 H 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 163 H LEU A 9 6.601 -2.876 6.763 1.00 0.86 H ATOM 164 HA LEU A 9 8.854 -4.443 6.019 1.00 0.99 H ATOM 165 HB2 LEU A 9 9.350 -2.322 4.566 1.00 1.35 H ATOM 166 HB3 LEU A 9 7.886 -3.257 4.247 1.00 1.28 H ATOM 167 HG LEU A 9 7.549 -1.192 6.317 1.00 1.50 H ATOM 168 HD11 LEU A 9 8.850 -0.531 3.785 1.00 2.14 H ATOM 169 HD12 LEU A 9 7.328 0.334 3.999 1.00 2.07 H ATOM 170 HD13 LEU A 9 8.600 0.476 5.212 1.00 2.19 H ATOM 171 HD21 LEU A 9 5.802 -2.634 5.074 1.00 1.47 H ATOM 172 HD22 LEU A 9 5.452 -0.914 5.238 1.00 1.38 H ATOM 173 HD23 LEU A 9 6.061 -1.547 3.710 1.00 1.53 H 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 183 H LYS A 10 10.927 -2.817 5.407 1.00 0.76 H ATOM 184 HA LYS A 10 11.800 -1.634 8.007 1.00 1.09 H ATOM 185 HB2 LYS A 10 13.637 -3.138 6.131 1.00 1.54 H ATOM 186 HB3 LYS A 10 13.943 -2.656 7.804 1.00 1.61 H ATOM 187 HG2 LYS A 10 12.553 -4.320 8.679 1.00 2.19 H ATOM 188 HG3 LYS A 10 11.640 -4.485 7.174 1.00 2.37 H ATOM 189 HD2 LYS A 10 13.774 -5.369 6.111 1.00 2.61 H ATOM 190 HD3 LYS A 10 14.458 -5.440 7.735 1.00 2.68 H ATOM 191 HE2 LYS A 10 12.012 -6.672 8.071 1.00 2.96 H ATOM 192 HE3 LYS A 10 12.488 -7.206 6.459 1.00 2.93 H ATOM 193 HZ1 LYS A 10 14.645 -7.864 7.390 1.00 3.79 H ATOM 194 HZ2 LYS A 10 14.103 -7.431 8.941 1.00 3.71 H ATOM 195 HZ3 LYS A 10 13.358 -8.707 8.102 1.00 3.75 H 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 201 H ALA A 11 14.343 -0.831 6.983 1.00 1.50 H ATOM 202 HA ALA A 11 13.500 1.539 5.489 1.00 1.58 H ATOM 203 HB1 ALA A 11 15.308 1.458 7.308 1.00 2.35 H ATOM 204 HB2 ALA A 11 16.346 0.715 6.091 1.00 2.21 H ATOM 205 HB3 ALA A 11 15.716 2.342 5.837 1.00 2.37 H 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 210 H GLY A 12 12.747 0.192 3.575 1.00 1.29 H ATOM 211 HA2 GLY A 12 14.212 0.490 1.300 1.00 0.90 H ATOM 212 HA3 GLY A 12 14.876 -1.015 1.942 1.00 0.83 H 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 222 H GLU A 13 11.995 -1.453 3.100 1.00 0.55 H ATOM 223 HA GLU A 13 11.071 -2.943 0.731 1.00 0.55 H ATOM 224 HB2 GLU A 13 10.782 -3.183 3.587 1.00 0.62 H ATOM 225 HB3 GLU A 13 9.184 -3.165 2.831 1.00 0.57 H ATOM 226 HG2 GLU A 13 9.767 -4.994 1.376 1.00 1.39 H ATOM 227 HG3 GLU A 13 11.462 -4.919 1.873 1.00 1.46 H 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 235 H VAL A 14 10.588 0.143 1.963 1.00 0.45 H ATOM 236 HA VAL A 14 7.830 0.629 1.691 1.00 0.30 H ATOM 237 HB VAL A 14 10.223 2.364 1.030 1.00 0.44 H ATOM 238 HG11 VAL A 14 7.974 2.954 -0.153 1.00 1.18 H ATOM 239 HG12 VAL A 14 7.433 3.410 1.462 1.00 1.11 H ATOM 240 HG13 VAL A 14 8.816 4.221 0.734 1.00 1.15 H ATOM 241 HG21 VAL A 14 9.448 1.480 3.436 1.00 1.17 H ATOM 242 HG22 VAL A 14 10.076 3.112 3.210 1.00 1.15 H ATOM 243 HG23 VAL A 14 8.335 2.841 3.296 1.00 1.16 H 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 252 H ASP A 15 10.347 0.898 -0.839 1.00 0.36 H ATOM 253 HA ASP A 15 8.588 1.469 -2.991 1.00 0.35 H ATOM 254 HB2 ASP A 15 11.052 -0.243 -3.314 1.00 1.00 H ATOM 255 HB3 ASP A 15 10.399 0.965 -4.421 1.00 0.94 H 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 264 H LEU A 16 9.345 -1.518 -1.342 1.00 0.31 H ATOM 265 HA LEU A 16 8.407 -3.360 -3.302 1.00 0.40 H ATOM 266 HB2 LEU A 16 9.288 -3.451 -0.584 1.00 0.51 H ATOM 267 HB3 LEU A 16 7.764 -4.332 -0.696 1.00 0.54 H ATOM 268 HG LEU A 16 9.781 -5.758 -1.151 1.00 1.41 H ATOM 269 HD11 LEU A 16 7.330 -5.693 -2.439 1.00 1.97 H ATOM 270 HD12 LEU A 16 8.476 -5.766 -3.778 1.00 1.91 H ATOM 271 HD13 LEU A 16 8.495 -7.013 -2.531 1.00 1.93 H ATOM 272 HD21 LEU A 16 10.385 -3.523 -2.867 1.00 2.22 H ATOM 273 HD22 LEU A 16 11.395 -4.916 -2.481 1.00 2.26 H ATOM 274 HD23 LEU A 16 10.273 -4.990 -3.840 1.00 2.17 H 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 283 H LEU A 17 6.710 -1.455 -0.847 1.00 0.27 H ATOM 284 HA LEU A 17 4.166 -2.788 -1.180 1.00 0.33 H ATOM 285 HB2 LEU A 17 4.973 -0.088 -0.067 1.00 0.60 H ATOM 286 HB3 LEU A 17 3.293 -0.611 -0.132 1.00 0.51 H ATOM 287 HG LEU A 17 4.718 -1.039 2.039 1.00 1.35 H ATOM 288 HD11 LEU A 17 2.425 -2.122 0.944 1.00 2.20 H ATOM 289 HD12 LEU A 17 3.375 -3.548 1.358 1.00 2.28 H ATOM 290 HD13 LEU A 17 2.980 -2.359 2.600 1.00 2.13 H ATOM 291 HD21 LEU A 17 5.513 -3.355 0.244 1.00 1.17 H ATOM 292 HD22 LEU A 17 6.598 -2.180 0.988 1.00 1.25 H ATOM 293 HD23 LEU A 17 5.725 -3.336 1.995 1.00 1.17 H 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 303 H GLU A 18 5.067 0.544 -2.126 1.00 0.24 H ATOM 304 HA GLU A 18 3.007 0.876 -4.032 1.00 0.30 H ATOM 305 HB2 GLU A 18 4.515 2.672 -4.971 1.00 0.73 H ATOM 306 HB3 GLU A 18 4.243 2.793 -3.232 1.00 0.95 H ATOM 307 HG2 GLU A 18 6.459 2.665 -2.884 1.00 1.91 H ATOM 308 HG3 GLU A 18 6.476 1.068 -3.632 1.00 1.84 H 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 318 H GLU A 19 5.782 -1.124 -4.179 1.00 0.30 H ATOM 319 HA GLU A 19 6.125 -1.025 -7.061 1.00 0.36 H ATOM 320 HB2 GLU A 19 7.274 -2.602 -4.813 1.00 0.55 H ATOM 321 HB3 GLU A 19 7.293 -3.360 -6.404 1.00 0.54 H ATOM 322 HG2 GLU A 19 8.171 -0.511 -6.219 1.00 0.86 H ATOM 323 HG3 GLU A 19 9.271 -1.751 -5.616 1.00 0.81 H 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 333 H GLU A 20 5.050 -3.663 -4.890 1.00 0.34 H ATOM 334 HA GLU A 20 3.935 -5.315 -6.879 1.00 0.39 H ATOM 335 HB2 GLU A 20 2.839 -4.894 -4.079 1.00 0.72 H ATOM 336 HB3 GLU A 20 2.597 -6.315 -5.096 1.00 0.90 H ATOM 337 HG2 GLU A 20 5.193 -5.341 -3.880 1.00 1.04 H ATOM 338 HG3 GLU A 20 4.361 -6.864 -3.561 1.00 1.45 H 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 347 H LEU A 21 2.427 -2.675 -5.036 1.00 0.40 H ATOM 348 HA LEU A 21 -0.139 -2.867 -6.345 1.00 0.38 H ATOM 349 HB2 LEU A 21 1.271 -0.727 -4.751 1.00 0.55 H ATOM 350 HB3 LEU A 21 -0.300 -0.422 -5.496 1.00 0.58 H ATOM 351 HG LEU A 21 -1.377 -2.029 -4.159 1.00 1.18 H ATOM 352 HD11 LEU A 21 0.320 -3.832 -4.593 1.00 2.12 H ATOM 353 HD12 LEU A 21 1.342 -3.111 -3.349 1.00 2.13 H ATOM 354 HD13 LEU A 21 -0.230 -3.784 -2.921 1.00 2.26 H ATOM 355 HD21 LEU A 21 0.303 -0.099 -2.940 1.00 1.94 H ATOM 356 HD22 LEU A 21 -1.164 -0.815 -2.275 1.00 1.85 H ATOM 357 HD23 LEU A 21 0.403 -1.552 -1.946 1.00 1.82 H 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 362 H GLY A 22 2.868 -1.189 -7.012 1.00 0.34 H ATOM 363 HA2 GLY A 22 1.725 0.339 -9.220 1.00 0.37 H ATOM 364 HA3 GLY A 22 3.426 0.313 -8.750 1.00 0.37 H 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 375 H HIS A 23 2.553 -2.840 -8.804 1.00 0.43 H ATOM 376 HA HIS A 23 3.452 -3.168 -11.634 1.00 0.41 H ATOM 377 HB2 HIS A 23 4.341 -4.355 -9.203 1.00 0.75 H ATOM 378 HB3 HIS A 23 3.541 -5.620 -10.136 1.00 0.86 H ATOM 379 HD1 HIS A 23 5.878 -6.711 -10.666 1.00 2.24 H ATOM 380 HD2 HIS A 23 5.404 -2.850 -12.163 1.00 2.61 H ATOM 381 HE1 HIS A 23 7.754 -6.352 -12.328 1.00 2.71 H 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 390 H LEU A 24 0.828 -3.518 -9.501 1.00 0.44 H ATOM 391 HA LEU A 24 -0.531 -5.459 -11.323 1.00 0.61 H ATOM 392 HB2 LEU A 24 -1.471 -4.547 -8.590 1.00 1.30 H ATOM 393 HB3 LEU A 24 -2.023 -5.947 -9.510 1.00 1.46 H ATOM 394 HG LEU A 24 0.881 -5.774 -8.812 1.00 1.43 H ATOM 395 HD11 LEU A 24 -1.203 -5.638 -6.849 1.00 1.47 H ATOM 396 HD12 LEU A 24 -0.475 -7.242 -6.769 1.00 1.62 H ATOM 397 HD13 LEU A 24 0.533 -5.807 -6.587 1.00 1.58 H ATOM 398 HD21 LEU A 24 -1.154 -7.796 -9.562 1.00 2.33 H ATOM 399 HD22 LEU A 24 0.568 -7.739 -9.939 1.00 2.40 H ATOM 400 HD23 LEU A 24 0.029 -8.323 -8.365 1.00 2.31 H 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 408 H THR A 25 -0.464 -2.241 -10.090 1.00 0.47 H ATOM 409 HA THR A 25 -2.448 -1.370 -12.032 1.00 0.75 H ATOM 410 HB THR A 25 -3.826 -2.101 -10.070 1.00 0.95 H ATOM 411 HG1 THR A 25 -5.072 -0.513 -10.572 1.00 1.40 H ATOM 412 HG21 THR A 25 -1.977 -1.480 -8.422 1.00 1.12 H ATOM 413 HG22 THR A 25 -2.526 0.187 -8.590 1.00 1.22 H ATOM 414 HG23 THR A 25 -3.618 -1.044 -7.954 1.00 1.17 H 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 422 H THR A 26 -2.832 1.226 -11.225 1.00 0.84 H ATOM 423 HA THR A 26 -0.022 2.228 -10.977 1.00 0.66 H ATOM 424 HB THR A 26 -1.002 4.340 -12.002 1.00 0.99 H ATOM 425 HG1 THR A 26 -3.024 3.491 -13.250 1.00 1.61 H ATOM 426 HG21 THR A 26 -0.340 1.820 -13.218 1.00 1.89 H ATOM 427 HG22 THR A 26 -1.583 2.620 -14.179 1.00 1.82 H ATOM 428 HG23 THR A 26 -0.064 3.448 -13.837 1.00 1.88 H 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 437 H LEU A 27 0.391 2.673 -9.016 1.00 0.61 H ATOM 438 HA LEU A 27 -1.386 3.350 -6.938 1.00 0.26 H ATOM 439 HB2 LEU A 27 1.528 3.585 -7.485 1.00 0.33 H ATOM 440 HB3 LEU A 27 0.880 4.501 -6.146 1.00 0.30 H ATOM 441 HG LEU A 27 -0.078 1.724 -6.296 1.00 0.28 H ATOM 442 HD11 LEU A 27 2.321 1.615 -7.067 1.00 1.06 H ATOM 443 HD12 LEU A 27 2.778 2.299 -5.507 1.00 1.05 H ATOM 444 HD13 LEU A 27 1.986 0.726 -5.584 1.00 1.04 H ATOM 445 HD21 LEU A 27 0.505 3.797 -4.323 1.00 1.06 H ATOM 446 HD22 LEU A 27 -0.583 2.409 -4.202 1.00 1.04 H ATOM 447 HD23 LEU A 27 1.147 2.217 -3.833 1.00 1.04 H 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 455 H THR A 28 -0.343 5.793 -5.896 1.00 0.32 H ATOM 456 HA THR A 28 -1.066 7.765 -7.992 1.00 0.41 H ATOM 457 HB THR A 28 -2.455 7.230 -5.424 1.00 0.88 H ATOM 458 HG1 THR A 28 -3.577 6.618 -7.155 1.00 1.46 H ATOM 459 HG21 THR A 28 -2.014 9.942 -6.644 1.00 1.80 H ATOM 460 HG22 THR A 28 -3.475 9.588 -5.721 1.00 1.61 H ATOM 461 HG23 THR A 28 -1.893 9.465 -4.951 1.00 1.69 H 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 470 H ASP A 29 0.252 7.322 -4.670 1.00 0.31 H ATOM 471 HA ASP A 29 2.433 9.115 -5.212 1.00 0.37 H ATOM 472 HB2 ASP A 29 -0.030 10.364 -4.478 1.00 0.39 H ATOM 473 HB3 ASP A 29 1.090 10.513 -3.121 1.00 0.41 H 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 481 H VAL A 30 2.683 6.719 -4.252 1.00 0.40 H ATOM 482 HA VAL A 30 2.244 6.334 -1.485 1.00 0.45 H ATOM 483 HB VAL A 30 3.423 4.373 -1.706 1.00 0.55 H ATOM 484 HG11 VAL A 30 1.789 5.040 -3.766 1.00 1.19 H ATOM 485 HG12 VAL A 30 3.268 4.637 -4.639 1.00 1.17 H ATOM 486 HG13 VAL A 30 2.522 3.447 -3.572 1.00 1.25 H ATOM 487 HG21 VAL A 30 5.340 6.077 -3.128 1.00 1.18 H ATOM 488 HG22 VAL A 30 5.635 4.631 -2.162 1.00 1.19 H ATOM 489 HG23 VAL A 30 5.172 4.481 -3.857 1.00 1.28 H 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 497 H VAL A 31 3.722 6.372 0.291 1.00 0.39 H ATOM 498 HA VAL A 31 5.967 8.307 -0.068 1.00 0.34 H ATOM 499 HB VAL A 31 3.658 8.753 1.425 1.00 0.44 H ATOM 500 HG11 VAL A 31 4.623 7.027 3.070 1.00 1.08 H ATOM 501 HG12 VAL A 31 5.870 8.224 3.418 1.00 1.11 H ATOM 502 HG13 VAL A 31 4.176 8.595 3.740 1.00 1.13 H ATOM 503 HG21 VAL A 31 5.528 10.304 0.565 1.00 1.16 H ATOM 504 HG22 VAL A 31 4.756 10.749 2.087 1.00 1.05 H ATOM 505 HG23 VAL A 31 6.340 9.972 2.096 1.00 1.11 H 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 515 H LYS A 32 7.740 8.000 1.446 1.00 0.46 H ATOM 516 HA LYS A 32 7.999 5.125 2.151 1.00 0.51 H ATOM 517 HB2 LYS A 32 10.421 5.473 1.899 1.00 0.76 H ATOM 518 HB3 LYS A 32 9.548 5.967 0.446 1.00 0.75 H ATOM 519 HG2 LYS A 32 10.843 7.839 0.678 1.00 1.05 H ATOM 520 HG3 LYS A 32 9.531 8.313 1.762 1.00 0.96 H ATOM 521 HD2 LYS A 32 11.550 6.647 3.077 1.00 1.55 H ATOM 522 HD3 LYS A 32 12.203 8.167 2.460 1.00 1.67 H ATOM 523 HE2 LYS A 32 9.748 8.877 3.568 1.00 2.05 H ATOM 524 HE3 LYS A 32 10.412 7.710 4.706 1.00 2.16 H ATOM 525 HZ1 LYS A 32 12.570 9.165 4.211 1.00 2.80 H ATOM 526 HZ2 LYS A 32 11.378 10.355 3.988 1.00 3.07 H ATOM 527 HZ3 LYS A 32 11.482 9.527 5.465 1.00 2.80 H 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 532 H GLY A 33 9.352 4.625 4.047 1.00 0.48 H ATOM 533 HA2 GLY A 33 9.882 6.599 6.074 1.00 0.57 H ATOM 534 HA3 GLY A 33 8.403 5.703 6.435 1.00 0.59 H 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 540 H ALA A 34 10.414 5.357 8.226 1.00 0.69 H ATOM 541 HA ALA A 34 12.422 3.477 7.796 1.00 0.71 H ATOM 542 HB1 ALA A 34 10.569 3.824 10.163 1.00 1.19 H ATOM 543 HB2 ALA A 34 11.932 2.705 10.181 1.00 1.29 H ATOM 544 HB3 ALA A 34 12.214 4.434 9.979 1.00 1.24 H 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 553 H ASP A 35 9.163 2.596 8.988 1.00 0.58 H ATOM 554 HA ASP A 35 9.251 0.174 7.257 1.00 0.57 H ATOM 555 HB2 ASP A 35 8.266 -1.080 9.291 1.00 0.96 H ATOM 556 HB3 ASP A 35 10.000 -0.758 9.301 1.00 0.69 H 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 563 H SER A 36 7.720 2.890 7.783 1.00 0.56 H ATOM 564 HA SER A 36 5.003 1.664 7.584 1.00 0.68 H ATOM 565 HB2 SER A 36 4.724 2.932 9.485 1.00 1.37 H ATOM 566 HB3 SER A 36 6.007 4.055 9.048 1.00 1.40 H ATOM 567 HG SER A 36 3.934 5.005 8.869 1.00 1.68 H 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 576 H LEU A 37 4.709 1.613 5.361 1.00 0.55 H ATOM 577 HA LEU A 37 5.404 4.072 3.825 1.00 0.62 H ATOM 578 HB2 LEU A 37 6.296 2.126 2.771 1.00 1.06 H ATOM 579 HB3 LEU A 37 4.796 1.225 3.000 1.00 1.25 H ATOM 580 HG LEU A 37 4.606 3.764 1.456 1.00 1.49 H ATOM 581 HD11 LEU A 37 6.500 1.706 0.773 1.00 2.12 H ATOM 582 HD12 LEU A 37 5.202 1.727 -0.421 1.00 2.14 H ATOM 583 HD13 LEU A 37 6.126 3.193 -0.098 1.00 2.09 H ATOM 584 HD21 LEU A 37 2.874 1.772 2.061 1.00 1.96 H ATOM 585 HD22 LEU A 37 2.732 2.755 0.604 1.00 2.01 H ATOM 586 HD23 LEU A 37 3.497 1.168 0.526 1.00 1.94 H 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 593 H SER A 38 3.793 5.350 2.961 1.00 0.39 H ATOM 594 HA SER A 38 0.987 4.371 3.370 1.00 0.27 H ATOM 595 HB2 SER A 38 0.518 6.926 3.211 1.00 0.89 H ATOM 596 HB3 SER A 38 1.113 6.235 4.707 1.00 0.73 H ATOM 597 HG SER A 38 2.499 7.848 4.390 1.00 1.58 H 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 603 H ALA A 39 0.261 3.697 1.479 1.00 0.35 H ATOM 604 HA ALA A 39 1.143 5.062 -1.000 1.00 0.51 H ATOM 605 HB1 ALA A 39 0.970 2.430 -0.541 1.00 1.15 H ATOM 606 HB2 ALA A 39 -0.671 2.711 -1.122 1.00 1.13 H ATOM 607 HB3 ALA A 39 0.708 3.122 -2.143 1.00 1.14 H 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 616 H ILE A 40 -0.432 5.739 -2.582 1.00 0.26 H ATOM 617 HA ILE A 40 -3.008 6.511 -1.282 1.00 0.27 H ATOM 618 HB ILE A 40 -1.510 7.687 -3.645 1.00 0.45 H ATOM 619 HG12 ILE A 40 -1.461 9.699 -2.202 1.00 1.29 H ATOM 620 HG13 ILE A 40 -2.318 8.813 -0.940 1.00 1.23 H ATOM 621 HG21 ILE A 40 -4.315 8.110 -2.625 1.00 1.23 H ATOM 622 HG22 ILE A 40 -3.449 9.417 -3.434 1.00 1.14 H ATOM 623 HG23 ILE A 40 -3.766 7.907 -4.288 1.00 1.11 H ATOM 624 HD11 ILE A 40 0.215 7.650 -2.045 1.00 1.18 H ATOM 625 HD12 ILE A 40 0.325 8.982 -0.894 1.00 1.22 H ATOM 626 HD13 ILE A 40 -0.481 7.483 -0.434 1.00 1.14 H 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 635 H LEU A 41 -4.341 4.796 -1.707 1.00 0.24 H ATOM 636 HA LEU A 41 -4.488 3.820 -4.517 1.00 0.27 H ATOM 637 HB2 LEU A 41 -5.065 2.549 -1.862 1.00 0.30 H ATOM 638 HB3 LEU A 41 -5.872 1.953 -3.312 1.00 0.40 H ATOM 639 HG LEU A 41 -2.868 2.256 -3.025 1.00 0.75 H ATOM 640 HD11 LEU A 41 -3.870 0.481 -1.575 1.00 1.23 H ATOM 641 HD12 LEU A 41 -4.568 -0.247 -3.022 1.00 1.29 H ATOM 642 HD13 LEU A 41 -2.818 -0.163 -2.834 1.00 1.43 H ATOM 643 HD21 LEU A 41 -4.666 1.081 -5.158 1.00 1.13 H ATOM 644 HD22 LEU A 41 -3.549 2.435 -5.332 1.00 1.16 H ATOM 645 HD23 LEU A 41 -2.923 0.803 -5.095 1.00 1.11 H 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 653 HA PRO A 42 -8.281 6.045 -4.563 1.00 0.32 H ATOM 654 HB2 PRO A 42 -9.043 5.232 -7.065 1.00 0.35 H ATOM 655 HB3 PRO A 42 -7.935 6.542 -6.709 1.00 0.40 H ATOM 656 HG2 PRO A 42 -7.352 3.816 -7.749 1.00 0.36 H ATOM 657 HG3 PRO A 42 -6.387 5.292 -7.926 1.00 0.42 H ATOM 658 HD2 PRO A 42 -5.857 3.170 -6.107 1.00 0.25 H ATOM 659 HD3 PRO A 42 -5.104 4.771 -6.091 1.00 0.33 H 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 664 H GLY A 43 -10.448 5.395 -5.927 1.00 0.35 H ATOM 665 HA2 GLY A 43 -11.369 2.982 -4.530 1.00 0.37 H ATOM 666 HA3 GLY A 43 -12.400 4.333 -4.996 1.00 0.43 H 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 675 H ASP A 44 -10.008 3.226 -7.225 1.00 0.46 H ATOM 676 HA ASP A 44 -11.925 1.536 -8.677 1.00 0.67 H ATOM 677 HB2 ASP A 44 -11.272 2.875 -10.808 1.00 1.18 H ATOM 678 HB3 ASP A 44 -12.487 3.570 -9.735 1.00 1.21 H 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 687 H ILE A 45 -9.470 0.996 -7.265 1.00 0.43 H ATOM 688 HA ILE A 45 -7.701 0.220 -9.545 1.00 0.49 H ATOM 689 HB ILE A 45 -7.008 1.930 -7.588 1.00 0.38 H ATOM 690 HG12 ILE A 45 -5.266 -0.271 -8.719 1.00 0.51 H ATOM 691 HG13 ILE A 45 -5.496 1.355 -9.367 1.00 0.52 H ATOM 692 HG21 ILE A 45 -7.449 -0.335 -6.068 1.00 1.07 H ATOM 693 HG22 ILE A 45 -5.709 -0.359 -6.299 1.00 1.06 H ATOM 694 HG23 ILE A 45 -6.487 1.053 -5.577 1.00 1.05 H ATOM 695 HD11 ILE A 45 -4.709 2.051 -6.920 1.00 1.12 H ATOM 696 HD12 ILE A 45 -3.931 0.474 -6.974 1.00 1.12 H ATOM 697 HD13 ILE A 45 -3.534 1.695 -8.184 1.00 1.13 H 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 703 H ALA A 46 -6.201 -1.507 -7.776 1.00 0.99 H ATOM 704 HA ALA A 46 -8.149 -3.719 -7.535 1.00 0.51 H ATOM 705 HB1 ALA A 46 -5.545 -3.682 -8.474 1.00 1.11 H ATOM 706 HB2 ALA A 46 -5.336 -4.232 -6.812 1.00 1.15 H ATOM 707 HB3 ALA A 46 -6.387 -5.126 -7.911 1.00 1.16 H 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 717 H GLU A 47 -8.612 -1.717 -5.806 1.00 0.36 H ATOM 718 HA GLU A 47 -7.280 -1.415 -3.421 1.00 0.35 H ATOM 719 HB2 GLU A 47 -10.242 -1.871 -3.506 1.00 0.50 H ATOM 720 HB3 GLU A 47 -9.345 -0.816 -2.429 1.00 0.51 H ATOM 721 HG2 GLU A 47 -9.935 0.824 -3.881 1.00 0.48 H ATOM 722 HG3 GLU A 47 -8.600 0.202 -4.842 1.00 0.37 H 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 731 H ASP A 48 -9.790 -3.854 -3.976 1.00 0.52 H ATOM 732 HA ASP A 48 -9.332 -5.303 -1.571 1.00 0.50 H ATOM 733 HB2 ASP A 48 -10.298 -6.572 -4.092 1.00 0.64 H ATOM 734 HB3 ASP A 48 -10.817 -6.870 -2.442 1.00 0.67 H 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 743 H ASP A 49 -7.771 -5.304 -4.654 1.00 0.48 H ATOM 744 HA ASP A 49 -6.427 -7.865 -4.332 1.00 0.54 H ATOM 745 HB2 ASP A 49 -6.880 -6.103 -6.424 1.00 0.56 H ATOM 746 HB3 ASP A 49 -5.146 -5.951 -6.131 1.00 0.58 H 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 755 H ILE A 50 -5.889 -4.630 -3.264 1.00 0.64 H ATOM 756 HA ILE A 50 -3.018 -5.057 -2.817 1.00 0.50 H ATOM 757 HB ILE A 50 -4.767 -2.788 -1.829 1.00 0.57 H ATOM 758 HG12 ILE A 50 -5.034 -2.599 -4.154 1.00 1.25 H ATOM 759 HG13 ILE A 50 -3.600 -1.617 -3.871 1.00 1.11 H ATOM 760 HG21 ILE A 50 -2.485 -3.157 -0.809 1.00 1.22 H ATOM 761 HG22 ILE A 50 -1.802 -2.854 -2.407 1.00 1.23 H ATOM 762 HG23 ILE A 50 -2.706 -1.587 -1.580 1.00 1.13 H ATOM 763 HD11 ILE A 50 -2.235 -3.733 -4.336 1.00 1.88 H ATOM 764 HD12 ILE A 50 -3.731 -4.437 -4.948 1.00 1.84 H ATOM 765 HD13 ILE A 50 -3.049 -3.007 -5.723 1.00 1.75 H 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 773 H THR A 51 -5.895 -4.358 -0.839 1.00 0.54 H ATOM 774 HA THR A 51 -4.881 -4.769 1.710 1.00 0.62 H ATOM 775 HB THR A 51 -7.535 -5.467 0.444 1.00 0.56 H ATOM 776 HG1 THR A 51 -6.639 -3.281 1.139 1.00 1.21 H ATOM 777 HG21 THR A 51 -6.498 -6.252 3.130 1.00 1.30 H ATOM 778 HG22 THR A 51 -8.144 -5.623 3.059 1.00 1.37 H ATOM 779 HG23 THR A 51 -7.702 -7.044 2.113 1.00 1.30 H 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 785 H ALA A 52 -5.585 -7.106 -0.801 1.00 0.46 H ATOM 786 HA ALA A 52 -5.059 -9.402 0.936 1.00 0.58 H ATOM 787 HB1 ALA A 52 -5.864 -9.004 -1.929 1.00 1.20 H ATOM 788 HB2 ALA A 52 -5.221 -10.565 -1.412 1.00 1.25 H ATOM 789 HB3 ALA A 52 -6.681 -9.922 -0.661 1.00 1.09 H 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 797 H VAL A 53 -3.461 -7.630 -1.686 1.00 0.45 H ATOM 798 HA VAL A 53 -1.204 -9.476 -1.790 1.00 0.58 H ATOM 799 HB VAL A 53 -2.028 -6.968 -3.159 1.00 1.23 H ATOM 800 HG11 VAL A 53 0.867 -7.725 -2.728 1.00 1.87 H ATOM 801 HG12 VAL A 53 0.343 -6.808 -4.139 1.00 1.96 H ATOM 802 HG13 VAL A 53 0.112 -6.145 -2.522 1.00 1.95 H ATOM 803 HG21 VAL A 53 -2.234 -9.371 -3.987 1.00 1.73 H ATOM 804 HG22 VAL A 53 -1.477 -8.232 -5.101 1.00 1.70 H ATOM 805 HG23 VAL A 53 -0.480 -9.351 -4.171 1.00 1.76 H 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 814 H LEU A 54 -1.259 -5.992 -1.050 1.00 0.66 H ATOM 815 HA LEU A 54 1.193 -5.697 0.098 1.00 0.56 H ATOM 816 HB2 LEU A 54 -1.454 -4.517 0.932 1.00 1.08 H ATOM 817 HB3 LEU A 54 0.037 -4.079 1.756 1.00 1.22 H ATOM 818 HG LEU A 54 -0.634 -3.692 -1.132 1.00 1.44 H ATOM 819 HD11 LEU A 54 -0.955 -2.085 1.113 1.00 2.02 H ATOM 820 HD12 LEU A 54 0.524 -1.482 0.367 1.00 1.96 H ATOM 821 HD13 LEU A 54 -0.974 -1.535 -0.559 1.00 2.04 H ATOM 822 HD21 LEU A 54 1.977 -3.980 0.198 1.00 2.50 H ATOM 823 HD22 LEU A 54 1.569 -4.127 -1.511 1.00 2.50 H ATOM 824 HD23 LEU A 54 1.820 -2.533 -0.798 1.00 2.52 H 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 831 H CYS A 55 -1.670 -6.950 1.844 1.00 0.46 H ATOM 832 HA CYS A 55 -0.306 -7.257 4.339 1.00 0.44 H ATOM 833 HB2 CYS A 55 -2.154 -8.734 4.965 1.00 1.27 H ATOM 834 HB3 CYS A 55 -2.786 -7.343 4.078 1.00 1.04 H ATOM 835 HG CYS A 55 -3.699 -9.756 3.176 1.00 2.12 H 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 847 H PHE A 56 -0.711 -9.533 1.609 1.00 0.50 H ATOM 848 HA PHE A 56 0.749 -11.570 3.045 1.00 0.60 H ATOM 849 HB2 PHE A 56 -0.740 -11.415 0.588 1.00 0.65 H ATOM 850 HB3 PHE A 56 0.828 -12.157 0.280 1.00 0.74 H ATOM 851 HD1 PHE A 56 1.580 -13.876 2.226 1.00 2.19 H ATOM 852 HD2 PHE A 56 -2.467 -12.832 1.232 1.00 2.24 H ATOM 853 HE1 PHE A 56 0.783 -15.986 3.256 1.00 2.29 H ATOM 854 HE2 PHE A 56 -3.264 -14.943 2.262 1.00 2.37 H ATOM 855 HZ PHE A 56 -1.639 -16.519 3.274 1.00 1.23 H 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 863 H VAL A 57 1.710 -8.732 1.865 1.00 0.48 H ATOM 864 HA VAL A 57 4.337 -9.737 0.926 1.00 0.65 H ATOM 865 HB VAL A 57 3.113 -6.964 0.718 1.00 0.54 H ATOM 866 HG11 VAL A 57 5.812 -8.009 0.328 1.00 1.20 H ATOM 867 HG12 VAL A 57 5.185 -7.228 -1.124 1.00 1.25 H ATOM 868 HG13 VAL A 57 5.258 -6.336 0.396 1.00 1.33 H ATOM 869 HG21 VAL A 57 2.810 -9.355 -0.880 1.00 1.23 H ATOM 870 HG22 VAL A 57 2.038 -7.783 -1.085 1.00 1.26 H ATOM 871 HG23 VAL A 57 3.608 -8.096 -1.824 1.00 1.24 H 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 880 H ILE A 58 2.701 -8.678 3.629 1.00 0.46 H ATOM 881 HA ILE A 58 5.252 -8.036 4.985 1.00 0.53 H ATOM 882 HB ILE A 58 3.374 -6.289 6.160 1.00 0.56 H ATOM 883 HG12 ILE A 58 3.245 -6.297 3.141 1.00 0.90 H ATOM 884 HG13 ILE A 58 1.917 -6.213 4.296 1.00 0.85 H ATOM 885 HG21 ILE A 58 5.925 -6.165 5.697 1.00 1.18 H ATOM 886 HG22 ILE A 58 5.454 -5.438 4.160 1.00 1.13 H ATOM 887 HG23 ILE A 58 4.997 -4.666 5.679 1.00 1.13 H ATOM 888 HD11 ILE A 58 3.992 -4.033 3.903 1.00 1.15 H ATOM 889 HD12 ILE A 58 2.379 -4.017 3.193 1.00 1.07 H ATOM 890 HD13 ILE A 58 2.571 -3.951 4.945 1.00 1.13 H 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 900 H GLU A 59 1.703 -8.256 5.623 1.00 0.37 H ATOM 901 HA GLU A 59 1.979 -10.541 7.316 1.00 0.48 H ATOM 902 HB2 GLU A 59 1.664 -9.532 9.487 1.00 0.98 H ATOM 903 HB3 GLU A 59 3.098 -8.824 8.750 1.00 1.08 H ATOM 904 HG2 GLU A 59 2.040 -6.789 8.328 1.00 1.51 H ATOM 905 HG3 GLU A 59 0.429 -7.506 8.363 1.00 1.40 H 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 911 H ALA A 60 -0.159 -9.495 9.114 1.00 0.58 H ATOM 912 HA ALA A 60 -2.390 -9.019 7.226 1.00 0.44 H ATOM 913 HB1 ALA A 60 -1.904 -11.575 7.735 1.00 1.11 H ATOM 914 HB2 ALA A 60 -2.748 -11.208 9.241 1.00 1.16 H ATOM 915 HB3 ALA A 60 -3.561 -10.971 7.694 1.00 1.11 H 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 924 H ASP A 61 -1.102 -7.482 9.409 1.00 0.46 H ATOM 925 HA ASP A 61 -3.561 -6.791 10.844 1.00 0.58 H ATOM 926 HB2 ASP A 61 -2.009 -8.688 12.032 1.00 0.96 H ATOM 927 HB3 ASP A 61 -1.336 -7.207 12.710 1.00 0.97 H 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 937 H GLN A 62 -1.146 -5.682 9.127 1.00 0.42 H ATOM 938 HA GLN A 62 -0.881 -3.209 10.763 1.00 0.58 H ATOM 939 HB2 GLN A 62 1.219 -4.923 9.637 1.00 0.94 H ATOM 940 HB3 GLN A 62 1.420 -3.210 9.298 1.00 0.96 H ATOM 941 HG2 GLN A 62 2.482 -4.042 11.467 1.00 2.12 H ATOM 942 HG3 GLN A 62 1.407 -2.652 11.623 1.00 2.20 H ATOM 943 HE21 GLN A 62 0.100 -2.888 13.435 1.00 3.23 H ATOM 944 HE22 GLN A 62 -0.574 -4.350 13.972 1.00 3.86 H 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 953 H ILE A 63 -2.403 -4.339 8.253 1.00 0.48 H ATOM 954 HA ILE A 63 -1.686 -2.091 6.422 1.00 0.57 H ATOM 955 HB ILE A 63 -2.438 -4.910 5.993 1.00 0.81 H ATOM 956 HG12 ILE A 63 -1.453 -3.715 3.656 1.00 1.69 H ATOM 957 HG13 ILE A 63 -0.647 -2.871 4.980 1.00 1.81 H ATOM 958 HG21 ILE A 63 -3.911 -2.698 4.601 1.00 1.12 H ATOM 959 HG22 ILE A 63 -3.445 -4.126 3.675 1.00 1.28 H ATOM 960 HG23 ILE A 63 -4.487 -4.294 5.088 1.00 1.34 H ATOM 961 HD11 ILE A 63 -0.808 -5.776 5.371 1.00 1.13 H ATOM 962 HD12 ILE A 63 0.131 -5.308 3.951 1.00 1.09 H ATOM 963 HD13 ILE A 63 0.573 -4.693 5.546 1.00 1.16 H 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 971 H THR A 64 -3.290 -0.632 5.843 1.00 0.36 H ATOM 972 HA THR A 64 -6.106 -1.163 6.439 1.00 0.39 H ATOM 973 HB THR A 64 -4.818 1.155 7.888 1.00 0.44 H ATOM 974 HG1 THR A 64 -4.789 -0.157 9.703 1.00 1.13 H ATOM 975 HG21 THR A 64 -7.451 0.504 7.341 1.00 1.20 H ATOM 976 HG22 THR A 64 -7.217 -0.131 8.970 1.00 1.30 H ATOM 977 HG23 THR A 64 -6.910 1.573 8.635 1.00 1.38 H 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 989 H PHE A 65 -7.434 0.207 5.219 1.00 0.36 H ATOM 990 HA PHE A 65 -5.978 2.187 3.524 1.00 0.34 H ATOM 991 HB2 PHE A 65 -8.426 0.495 3.036 1.00 0.47 H ATOM 992 HB3 PHE A 65 -8.127 1.945 2.079 1.00 0.48 H ATOM 993 HD1 PHE A 65 -5.785 -0.640 3.470 1.00 2.12 H ATOM 994 HD2 PHE A 65 -7.363 1.265 -0.049 1.00 2.07 H ATOM 995 HE1 PHE A 65 -4.194 -1.909 2.060 1.00 2.12 H ATOM 996 HE2 PHE A 65 -5.774 -0.007 -1.453 1.00 2.11 H ATOM 997 HZ PHE A 65 -4.189 -1.593 -0.396 1.00 0.59 H 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 1007 H GLU A 66 -6.270 4.226 4.242 1.00 0.82 H ATOM 1008 HA GLU A 66 -8.829 4.921 5.616 1.00 0.50 H ATOM 1009 HB2 GLU A 66 -6.213 5.292 6.408 1.00 0.59 H ATOM 1010 HB3 GLU A 66 -6.609 6.857 5.694 1.00 0.72 H ATOM 1011 HG2 GLU A 66 -7.141 6.711 8.143 1.00 1.25 H ATOM 1012 HG3 GLU A 66 -8.545 7.089 7.143 1.00 1.25 H 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 1020 H THR A 67 -10.185 5.632 3.928 1.00 0.66 H ATOM 1021 HA THR A 67 -9.547 6.840 1.542 1.00 0.71 H ATOM 1022 HB THR A 67 -11.874 6.387 2.152 1.00 0.85 H ATOM 1023 HG1 THR A 67 -11.841 7.849 0.550 1.00 0.64 H ATOM 1024 HG21 THR A 67 -11.397 7.358 4.549 1.00 1.33 H ATOM 1025 HG22 THR A 67 -11.920 8.879 3.824 1.00 1.33 H ATOM 1026 HG23 THR A 67 -13.013 7.495 3.857 1.00 1.35 H 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 1034 H VAL A 68 -9.134 8.984 0.819 1.00 0.86 H ATOM 1035 HA VAL A 68 -8.541 10.958 2.931 1.00 1.02 H ATOM 1036 HB VAL A 68 -6.421 11.547 1.765 1.00 1.83 H ATOM 1037 HG11 VAL A 68 -6.523 9.902 3.684 1.00 2.18 H ATOM 1038 HG12 VAL A 68 -6.524 8.606 2.488 1.00 2.06 H ATOM 1039 HG13 VAL A 68 -5.137 9.688 2.615 1.00 2.14 H ATOM 1040 HG21 VAL A 68 -7.101 10.663 -0.462 1.00 2.33 H ATOM 1041 HG22 VAL A 68 -5.543 10.019 0.057 1.00 2.30 H ATOM 1042 HG23 VAL A 68 -6.994 9.023 0.177 1.00 2.19 H 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 1052 H GLU A 69 -10.793 10.842 1.237 1.00 1.21 H ATOM 1053 HA GLU A 69 -10.772 12.129 -1.194 1.00 1.99 H ATOM 1054 HB2 GLU A 69 -12.880 11.468 -0.269 1.00 2.36 H ATOM 1055 HB3 GLU A 69 -12.663 12.514 1.139 1.00 2.28 H ATOM 1056 HG2 GLU A 69 -12.711 14.497 -0.367 1.00 2.95 H ATOM 1057 HG3 GLU A 69 -13.026 13.425 -1.732 1.00 3.02 H TER 1058 GLU A 69 MASTER 178 0 0 2 3 0 0 6 1057 1 0 11 END