USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 236 hydrogens (0 hets) HEADER CALMODULIN-BINDING PROTEIN 16-APR-13 2M73 TITLE SOLUTION STRUCTURE OF THE CALMODULIN-BINDING DOMAIN OF PLANT CALCIUM- TITLE 2 ATPASE ACA8 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALCIUM-TRANSPORTING ATPASE 8, PLASMA MEMBRANE-TYPE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 43-67; COMPND 5 SYNONYM: CA(2+)-ATPASE ISOFORM 8; COMPND 6 EC: 3.6.3.8; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: ACA8, AT5G57110, MUL3.5; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ACA8, PLANT CALMODULIN TARGET, CALMODULIN TAGET, CALCIUM-ATPASE, KEYWDS 2 CALMODULIN-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.JAMSHIDIHA,H.ISHIDA,J.L.GIFFORD,H.J.VOGEL REVDAT 1 16-APR-14 2M73 0 JRNL AUTH M.JAMSHIDIHA,H.ISHIDA,J.L.GIFFORD,H.J.VOGEL JRNL TITL STRUCTURAL CHARACTERIZATION OF THE INTERACTION BETWEEN A JRNL TITL 2 PLANT CALMODULIN AND THREE DISTINCT CALCIUM-ATPASE PUMPS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2M73 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-APR-13. REMARK 100 THE RCSB ID CODE IS RCSB103291. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 4.2 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10 % [U-100% 2H] D2O, 5 MM [U- REMARK 210 100% 2H] DSS, 60 % H2O, 30 % [U- REMARK 210 100% 2H] TFE, 10 MM [U-100% 2H] REMARK 210 DTT, TRIFLUOROETHANOL/WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D DQF-COSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 TRP A 5 -65.42 -101.17 REMARK 500 LEU A 10 -60.16 -103.28 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19170 RELATED DB: BMRB REMARK 900 RELATED ID: 2M7E RELATED DB: PDB DBREF 2M73 A 1 25 UNP Q9LF79 ACA8_ARATH 43 67 SEQRES 1 A 25 ARG LEU GLN GLN TRP ARG LYS ALA ALA LEU VAL LEU ASN SEQRES 2 A 25 ALA SER ARG ARG PHE ARG TYR THR LEU ASP LEU LYS HELIX 1 1 ASN A 13 ARG A 16 5 4 HELIX 2 2 ARG A 17 LEU A 24 1 8 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 1 ARG N :NH3+ 135:sc= 0.0276 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 4 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.01) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.31) USER MOD Single : A 13 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.79) USER MOD Single : A 15 SER OG : rot -64:sc= 0.401 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 2.093 0.000 -1.242 1.00 20.13 C ATOM 3 C ARG A 1 1.375 -0.804 -2.322 1.00 12.31 C ATOM 4 O ARG A 1 0.723 -1.808 -2.033 1.00 62.44 O ATOM 5 CB ARG A 1 3.490 -0.577 -1.006 1.00 20.22 C ATOM 6 CG ARG A 1 4.485 0.438 -0.468 1.00 64.21 C ATOM 7 CD ARG A 1 5.919 0.021 -0.760 1.00 15.04 C ATOM 8 NE ARG A 1 6.481 -0.793 0.315 1.00 60.25 N ATOM 9 CZ ARG A 1 7.702 -1.315 0.279 1.00 72.54 C ATOM 10 NH1 ARG A 1 8.484 -1.109 -0.772 1.00 20.31 N ATOM 11 NH2 ARG A 1 8.143 -2.045 1.295 1.00 34.43 N ATOM 0 H1 ARG A 1 1.968 -0.182 0.800 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.871 0.925 0.126 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.603 -0.744 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 1 2.186 1.031 -1.582 1.00 20.13 H new ATOM 0 HB2 ARG A 1 3.417 -1.408 -0.305 1.00 20.22 H new ATOM 0 HB3 ARG A 1 3.869 -0.983 -1.944 1.00 20.22 H new ATOM 0 HG2 ARG A 1 4.290 1.413 -0.915 1.00 64.21 H new ATOM 0 HG3 ARG A 1 4.349 0.548 0.608 1.00 64.21 H new ATOM 0 HD2 ARG A 1 5.951 -0.540 -1.694 1.00 15.04 H new ATOM 0 HD3 ARG A 1 6.534 0.910 -0.901 1.00 15.04 H new ATOM 0 HE ARG A 1 5.905 -0.970 1.138 1.00 60.25 H new ATOM 0 HH11 ARG A 1 8.148 -0.549 -1.555 1.00 20.31 H new ATOM 0 HH12 ARG A 1 9.421 -1.511 -0.797 1.00 20.31 H new ATOM 0 HH21 ARG A 1 7.544 -2.206 2.105 1.00 34.43 H new ATOM 0 HH22 ARG A 1 9.081 -2.445 1.266 1.00 34.43 H new ATOM 25 N LEU A 2 1.498 -0.354 -3.566 1.00 33.50 N ATOM 26 CA LEU A 2 0.860 -1.031 -4.690 1.00 40.02 C ATOM 27 C LEU A 2 1.266 -2.500 -4.743 1.00 20.42 C ATOM 28 O LEU A 2 0.484 -3.355 -5.157 1.00 35.33 O ATOM 29 CB LEU A 2 1.231 -0.340 -6.004 1.00 21.34 C ATOM 30 CG LEU A 2 0.321 -0.634 -7.197 1.00 11.32 C ATOM 31 CD1 LEU A 2 -0.008 0.649 -7.945 1.00 71.42 C ATOM 32 CD2 LEU A 2 0.973 -1.645 -8.129 1.00 34.14 C ATOM 0 H LEU A 2 2.033 0.476 -3.822 1.00 33.50 H new ATOM 0 HA LEU A 2 -0.220 -0.977 -4.550 1.00 40.02 H new ATOM 0 HB2 LEU A 2 1.239 0.737 -5.835 1.00 21.34 H new ATOM 0 HB3 LEU A 2 2.248 -0.629 -6.269 1.00 21.34 H new ATOM 0 HG LEU A 2 -0.609 -1.062 -6.824 1.00 11.32 H new ATOM 0 HD11 LEU A 2 -0.656 0.421 -8.791 1.00 71.42 H new ATOM 0 HD12 LEU A 2 -0.517 1.341 -7.274 1.00 71.42 H new ATOM 0 HD13 LEU A 2 0.913 1.106 -8.307 1.00 71.42 H new ATOM 0 HD21 LEU A 2 0.311 -1.842 -8.972 1.00 34.14 H new ATOM 0 HD22 LEU A 2 1.918 -1.245 -8.496 1.00 34.14 H new ATOM 0 HD23 LEU A 2 1.157 -2.573 -7.588 1.00 34.14 H new ATOM 44 N GLN A 3 2.493 -2.786 -4.319 1.00 0.52 N ATOM 45 CA GLN A 3 3.002 -4.152 -4.317 1.00 34.15 C ATOM 46 C GLN A 3 2.098 -5.068 -3.497 1.00 41.22 C ATOM 47 O GLN A 3 1.768 -4.764 -2.351 1.00 74.52 O ATOM 48 CB GLN A 3 4.425 -4.188 -3.758 1.00 42.11 C ATOM 49 CG GLN A 3 5.283 -5.294 -4.350 1.00 64.14 C ATOM 50 CD GLN A 3 5.083 -6.625 -3.653 1.00 75.22 C ATOM 51 OE1 GLN A 3 5.475 -6.800 -2.499 1.00 65.34 O ATOM 52 NE2 GLN A 3 4.468 -7.573 -4.351 1.00 53.44 N ATOM 0 H GLN A 3 3.153 -2.090 -3.972 1.00 0.52 H new ATOM 0 HA GLN A 3 3.015 -4.510 -5.347 1.00 34.15 H new ATOM 0 HB2 GLN A 3 4.905 -3.227 -3.946 1.00 42.11 H new ATOM 0 HB3 GLN A 3 4.379 -4.315 -2.676 1.00 42.11 H new ATOM 0 HG2 GLN A 3 5.048 -5.404 -5.409 1.00 64.14 H new ATOM 0 HG3 GLN A 3 6.333 -5.008 -4.285 1.00 64.14 H new ATOM 0 HE21 GLN A 3 4.159 -7.385 -5.305 1.00 53.44 H new ATOM 0 HE22 GLN A 3 4.304 -8.489 -3.933 1.00 53.44 H new ATOM 61 N GLN A 4 1.703 -6.188 -4.093 1.00 15.00 N ATOM 62 CA GLN A 4 0.836 -7.147 -3.418 1.00 2.02 C ATOM 63 C GLN A 4 -0.532 -6.537 -3.132 1.00 31.13 C ATOM 64 O GLN A 4 -1.304 -7.068 -2.333 1.00 1.42 O ATOM 65 CB GLN A 4 1.481 -7.618 -2.113 1.00 12.10 C ATOM 66 CG GLN A 4 0.917 -8.931 -1.595 1.00 61.54 C ATOM 67 CD GLN A 4 2.000 -9.918 -1.206 1.00 22.12 C ATOM 68 OE1 GLN A 4 1.930 -11.100 -1.544 1.00 44.13 O ATOM 69 NE2 GLN A 4 3.010 -9.437 -0.490 1.00 40.03 N ATOM 0 H GLN A 4 1.969 -6.454 -5.041 1.00 15.00 H new ATOM 0 HA GLN A 4 0.700 -8.004 -4.078 1.00 2.02 H new ATOM 0 HB2 GLN A 4 2.554 -7.729 -2.267 1.00 12.10 H new ATOM 0 HB3 GLN A 4 1.346 -6.849 -1.352 1.00 12.10 H new ATOM 0 HG2 GLN A 4 0.283 -8.734 -0.731 1.00 61.54 H new ATOM 0 HG3 GLN A 4 0.282 -9.377 -2.361 1.00 61.54 H new ATOM 0 HE21 GLN A 4 3.028 -8.450 -0.232 1.00 40.03 H new ATOM 0 HE22 GLN A 4 3.768 -10.054 -0.198 1.00 40.03 H new ATOM 78 N TRP A 5 -0.825 -5.421 -3.788 1.00 53.33 N ATOM 79 CA TRP A 5 -2.101 -4.738 -3.604 1.00 31.32 C ATOM 80 C TRP A 5 -3.054 -5.045 -4.754 1.00 1.01 C ATOM 81 O TRP A 5 -4.092 -5.678 -4.560 1.00 0.20 O ATOM 82 CB TRP A 5 -1.884 -3.228 -3.494 1.00 31.22 C ATOM 83 CG TRP A 5 -2.880 -2.548 -2.604 1.00 20.21 C ATOM 84 CD1 TRP A 5 -2.675 -2.116 -1.324 1.00 73.55 C ATOM 85 CD2 TRP A 5 -4.237 -2.224 -2.927 1.00 3.04 C ATOM 86 NE1 TRP A 5 -3.823 -1.543 -0.832 1.00 71.44 N ATOM 87 CE2 TRP A 5 -4.795 -1.596 -1.796 1.00 72.11 C ATOM 88 CE3 TRP A 5 -5.033 -2.401 -4.061 1.00 13.10 C ATOM 89 CZ2 TRP A 5 -6.113 -1.147 -1.769 1.00 61.33 C ATOM 90 CZ3 TRP A 5 -6.341 -1.955 -4.033 1.00 20.23 C ATOM 91 CH2 TRP A 5 -6.870 -1.334 -2.894 1.00 11.33 C ATOM 0 H TRP A 5 -0.197 -4.969 -4.452 1.00 53.33 H new ATOM 0 HA TRP A 5 -2.549 -5.102 -2.679 1.00 31.32 H new ATOM 0 HB2 TRP A 5 -0.880 -3.039 -3.114 1.00 31.22 H new ATOM 0 HB3 TRP A 5 -1.937 -2.787 -4.489 1.00 31.22 H new ATOM 0 HD1 TRP A 5 -1.747 -2.211 -0.779 1.00 73.55 H new ATOM 0 HE1 TRP A 5 -3.934 -1.143 0.100 1.00 71.44 H new ATOM 0 HE3 TRP A 5 -4.634 -2.878 -4.944 1.00 13.10 H new ATOM 0 HZ2 TRP A 5 -6.523 -0.668 -0.892 1.00 61.33 H new ATOM 0 HZ3 TRP A 5 -6.966 -2.087 -4.904 1.00 20.23 H new ATOM 0 HH2 TRP A 5 -7.896 -0.996 -2.904 1.00 11.33 H new ATOM 102 N ARG A 6 -2.695 -4.593 -5.951 1.00 25.11 N ATOM 103 CA ARG A 6 -3.519 -4.819 -7.132 1.00 1.00 C ATOM 104 C ARG A 6 -3.198 -6.168 -7.769 1.00 44.44 C ATOM 105 O ARG A 6 -4.028 -6.751 -8.466 1.00 51.05 O ATOM 106 CB ARG A 6 -3.306 -3.698 -8.151 1.00 12.23 C ATOM 107 CG ARG A 6 -4.187 -2.482 -7.911 1.00 64.23 C ATOM 108 CD ARG A 6 -3.360 -1.258 -7.549 1.00 60.22 C ATOM 109 NE ARG A 6 -3.778 -0.075 -8.296 1.00 12.10 N ATOM 110 CZ ARG A 6 -3.524 1.169 -7.905 1.00 24.10 C ATOM 111 NH1 ARG A 6 -2.856 1.390 -6.781 1.00 44.44 N ATOM 112 NH2 ARG A 6 -3.937 2.194 -8.639 1.00 11.11 N ATOM 0 H ARG A 6 -1.839 -4.068 -6.128 1.00 25.11 H new ATOM 0 HA ARG A 6 -4.563 -4.823 -6.820 1.00 1.00 H new ATOM 0 HB2 ARG A 6 -2.261 -3.390 -8.126 1.00 12.23 H new ATOM 0 HB3 ARG A 6 -3.500 -4.086 -9.151 1.00 12.23 H new ATOM 0 HG2 ARG A 6 -4.774 -2.274 -8.806 1.00 64.23 H new ATOM 0 HG3 ARG A 6 -4.893 -2.696 -7.109 1.00 64.23 H new ATOM 0 HD2 ARG A 6 -3.450 -1.063 -6.480 1.00 60.22 H new ATOM 0 HD3 ARG A 6 -2.308 -1.460 -7.748 1.00 60.22 H new ATOM 0 HE ARG A 6 -4.293 -0.211 -9.166 1.00 12.10 H new ATOM 0 HH11 ARG A 6 -2.536 0.604 -6.215 1.00 44.44 H new ATOM 0 HH12 ARG A 6 -2.662 2.346 -6.483 1.00 44.44 H new ATOM 0 HH21 ARG A 6 -4.450 2.027 -9.505 1.00 11.11 H new ATOM 0 HH22 ARG A 6 -3.741 3.149 -8.338 1.00 11.11 H new ATOM 126 N LYS A 7 -1.987 -6.658 -7.526 1.00 42.31 N ATOM 127 CA LYS A 7 -1.554 -7.937 -8.075 1.00 34.53 C ATOM 128 C LYS A 7 -2.064 -9.095 -7.222 1.00 4.02 C ATOM 129 O LYS A 7 -2.387 -10.164 -7.739 1.00 12.21 O ATOM 130 CB LYS A 7 -0.027 -7.988 -8.163 1.00 34.22 C ATOM 131 CG LYS A 7 0.498 -9.196 -8.920 1.00 4.43 C ATOM 132 CD LYS A 7 0.014 -9.205 -10.360 1.00 33.52 C ATOM 133 CE LYS A 7 0.443 -7.949 -11.101 1.00 11.40 C ATOM 134 NZ LYS A 7 -0.115 -7.900 -12.481 1.00 34.43 N ATOM 0 H LYS A 7 -1.287 -6.188 -6.952 1.00 42.31 H new ATOM 0 HA LYS A 7 -1.972 -8.034 -9.077 1.00 34.53 H new ATOM 0 HB2 LYS A 7 0.331 -7.081 -8.650 1.00 34.22 H new ATOM 0 HB3 LYS A 7 0.387 -7.993 -7.155 1.00 34.22 H new ATOM 0 HG2 LYS A 7 1.588 -9.193 -8.902 1.00 4.43 H new ATOM 0 HG3 LYS A 7 0.174 -10.109 -8.420 1.00 4.43 H new ATOM 0 HD2 LYS A 7 0.408 -10.083 -10.872 1.00 33.52 H new ATOM 0 HD3 LYS A 7 -1.073 -9.286 -10.379 1.00 33.52 H new ATOM 0 HE2 LYS A 7 0.115 -7.070 -10.546 1.00 11.40 H new ATOM 0 HE3 LYS A 7 1.531 -7.909 -11.148 1.00 11.40 H new ATOM 0 HZ1 LYS A 7 -0.128 -6.915 -12.815 1.00 34.43 H new ATOM 0 HZ2 LYS A 7 0.477 -8.473 -13.115 1.00 34.43 H new ATOM 0 HZ3 LYS A 7 -1.084 -8.277 -12.477 1.00 34.43 H new ATOM 148 N ALA A 8 -2.133 -8.874 -5.913 1.00 53.12 N ATOM 149 CA ALA A 8 -2.607 -9.897 -4.990 1.00 23.53 C ATOM 150 C ALA A 8 -4.035 -10.317 -5.321 1.00 22.43 C ATOM 151 O ALA A 8 -4.496 -11.375 -4.892 1.00 40.21 O ATOM 152 CB ALA A 8 -2.521 -9.395 -3.556 1.00 31.10 C ATOM 0 H ALA A 8 -1.867 -7.995 -5.468 1.00 53.12 H new ATOM 0 HA ALA A 8 -1.966 -10.772 -5.096 1.00 23.53 H new ATOM 0 HB1 ALA A 8 -2.878 -10.169 -2.877 1.00 31.10 H new ATOM 0 HB2 ALA A 8 -1.486 -9.152 -3.317 1.00 31.10 H new ATOM 0 HB3 ALA A 8 -3.137 -8.503 -3.445 1.00 31.10 H new ATOM 158 N ALA A 9 -4.730 -9.482 -6.085 1.00 53.31 N ATOM 159 CA ALA A 9 -6.106 -9.767 -6.474 1.00 64.53 C ATOM 160 C ALA A 9 -6.224 -9.942 -7.985 1.00 2.05 C ATOM 161 O ALA A 9 -7.322 -10.111 -8.516 1.00 61.42 O ATOM 162 CB ALA A 9 -7.031 -8.659 -5.995 1.00 41.32 C ATOM 0 H ALA A 9 -4.363 -8.602 -6.447 1.00 53.31 H new ATOM 0 HA ALA A 9 -6.404 -10.703 -6.002 1.00 64.53 H new ATOM 0 HB1 ALA A 9 -8.055 -8.886 -6.293 1.00 41.32 H new ATOM 0 HB2 ALA A 9 -6.977 -8.584 -4.909 1.00 41.32 H new ATOM 0 HB3 ALA A 9 -6.725 -7.712 -6.440 1.00 41.32 H new ATOM 168 N LEU A 10 -5.087 -9.899 -8.671 1.00 13.00 N ATOM 169 CA LEU A 10 -5.063 -10.052 -10.122 1.00 14.14 C ATOM 170 C LEU A 10 -4.588 -11.447 -10.514 1.00 71.13 C ATOM 171 O LEU A 10 -5.312 -12.200 -11.166 1.00 64.31 O ATOM 172 CB LEU A 10 -4.154 -8.995 -10.751 1.00 2.04 C ATOM 173 CG LEU A 10 -4.841 -7.970 -11.654 1.00 65.43 C ATOM 174 CD1 LEU A 10 -6.048 -7.366 -10.955 1.00 32.22 C ATOM 175 CD2 LEU A 10 -3.861 -6.882 -12.067 1.00 3.43 C ATOM 0 H LEU A 10 -4.170 -9.760 -8.246 1.00 13.00 H new ATOM 0 HA LEU A 10 -6.078 -9.916 -10.494 1.00 14.14 H new ATOM 0 HB2 LEU A 10 -3.644 -8.460 -9.950 1.00 2.04 H new ATOM 0 HB3 LEU A 10 -3.386 -9.505 -11.333 1.00 2.04 H new ATOM 0 HG LEU A 10 -5.186 -8.480 -12.553 1.00 65.43 H new ATOM 0 HD11 LEU A 10 -6.524 -6.639 -11.613 1.00 32.22 H new ATOM 0 HD12 LEU A 10 -6.760 -8.155 -10.711 1.00 32.22 H new ATOM 0 HD13 LEU A 10 -5.727 -6.870 -10.039 1.00 32.22 H new ATOM 0 HD21 LEU A 10 -4.367 -6.161 -12.709 1.00 3.43 H new ATOM 0 HD22 LEU A 10 -3.485 -6.375 -11.179 1.00 3.43 H new ATOM 0 HD23 LEU A 10 -3.028 -7.329 -12.609 1.00 3.43 H new ATOM 187 N VAL A 11 -3.368 -11.786 -10.111 1.00 64.24 N ATOM 188 CA VAL A 11 -2.797 -13.092 -10.418 1.00 64.21 C ATOM 189 C VAL A 11 -3.286 -14.150 -9.436 1.00 22.34 C ATOM 190 O VAL A 11 -3.362 -15.334 -9.768 1.00 24.13 O ATOM 191 CB VAL A 11 -1.257 -13.053 -10.389 1.00 11.44 C ATOM 192 CG1 VAL A 11 -0.721 -12.236 -11.555 1.00 14.14 C ATOM 193 CG2 VAL A 11 -0.764 -12.492 -9.063 1.00 53.12 C ATOM 0 H VAL A 11 -2.756 -11.174 -9.571 1.00 64.24 H new ATOM 0 HA VAL A 11 -3.127 -13.353 -11.423 1.00 64.21 H new ATOM 0 HB VAL A 11 -0.883 -14.072 -10.489 1.00 11.44 H new ATOM 0 HG11 VAL A 11 0.368 -12.220 -11.518 1.00 14.14 H new ATOM 0 HG12 VAL A 11 -1.045 -12.685 -12.494 1.00 14.14 H new ATOM 0 HG13 VAL A 11 -1.101 -11.217 -11.490 1.00 14.14 H new ATOM 0 HG21 VAL A 11 0.326 -12.471 -9.059 1.00 53.12 H new ATOM 0 HG22 VAL A 11 -1.146 -11.480 -8.931 1.00 53.12 H new ATOM 0 HG23 VAL A 11 -1.118 -13.122 -8.247 1.00 53.12 H new ATOM 203 N LEU A 12 -3.617 -13.717 -8.225 1.00 14.34 N ATOM 204 CA LEU A 12 -4.101 -14.627 -7.192 1.00 3.21 C ATOM 205 C LEU A 12 -5.590 -14.906 -7.366 1.00 31.11 C ATOM 206 O LEU A 12 -6.143 -15.800 -6.727 1.00 24.41 O ATOM 207 CB LEU A 12 -3.839 -14.040 -5.804 1.00 11.42 C ATOM 208 CG LEU A 12 -3.372 -15.028 -4.734 1.00 52.42 C ATOM 209 CD1 LEU A 12 -2.290 -14.403 -3.867 1.00 61.51 C ATOM 210 CD2 LEU A 12 -4.546 -15.483 -3.880 1.00 12.22 C ATOM 0 H LEU A 12 -3.559 -12.741 -7.934 1.00 14.34 H new ATOM 0 HA LEU A 12 -3.560 -15.568 -7.290 1.00 3.21 H new ATOM 0 HB2 LEU A 12 -3.087 -13.256 -5.899 1.00 11.42 H new ATOM 0 HB3 LEU A 12 -4.755 -13.563 -5.455 1.00 11.42 H new ATOM 0 HG LEU A 12 -2.951 -15.901 -5.232 1.00 52.42 H new ATOM 0 HD11 LEU A 12 -1.970 -15.120 -3.111 1.00 61.51 H new ATOM 0 HD12 LEU A 12 -1.439 -14.128 -4.490 1.00 61.51 H new ATOM 0 HD13 LEU A 12 -2.685 -13.513 -3.378 1.00 61.51 H new ATOM 0 HD21 LEU A 12 -4.195 -16.186 -3.124 1.00 12.22 H new ATOM 0 HD22 LEU A 12 -4.997 -14.619 -3.391 1.00 12.22 H new ATOM 0 HD23 LEU A 12 -5.288 -15.971 -4.512 1.00 12.22 H new ATOM 222 N ASN A 13 -6.234 -14.136 -8.237 1.00 4.40 N ATOM 223 CA ASN A 13 -7.659 -14.301 -8.497 1.00 32.44 C ATOM 224 C ASN A 13 -7.908 -14.661 -9.958 1.00 64.43 C ATOM 225 O ASN A 13 -8.353 -15.766 -10.269 1.00 3.20 O ATOM 226 CB ASN A 13 -8.416 -13.021 -8.139 1.00 51.45 C ATOM 227 CG ASN A 13 -9.309 -13.196 -6.927 1.00 34.14 C ATOM 228 OD1 ASN A 13 -9.896 -14.259 -6.722 1.00 41.04 O ATOM 229 ND2 ASN A 13 -9.417 -12.151 -6.115 1.00 2.41 N ATOM 0 H ASN A 13 -5.791 -13.391 -8.775 1.00 4.40 H new ATOM 0 HA ASN A 13 -8.024 -15.117 -7.873 1.00 32.44 H new ATOM 0 HB2 ASN A 13 -7.701 -12.221 -7.947 1.00 51.45 H new ATOM 0 HB3 ASN A 13 -9.021 -12.710 -8.991 1.00 51.45 H new ATOM 0 HD21 ASN A 13 -10.004 -12.210 -5.283 1.00 2.41 H new ATOM 0 HD22 ASN A 13 -8.913 -11.289 -6.323 1.00 2.41 H new ATOM 236 N ALA A 14 -7.616 -13.721 -10.851 1.00 60.33 N ATOM 237 CA ALA A 14 -7.805 -13.940 -12.280 1.00 0.00 C ATOM 238 C ALA A 14 -7.127 -15.229 -12.733 1.00 3.44 C ATOM 239 O ALA A 14 -7.755 -16.088 -13.350 1.00 31.30 O ATOM 240 CB ALA A 14 -7.271 -12.755 -13.070 1.00 53.55 C ATOM 0 H ALA A 14 -7.248 -12.801 -10.610 1.00 60.33 H new ATOM 0 HA ALA A 14 -8.874 -14.037 -12.469 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.418 -12.932 -14.135 1.00 53.55 H new ATOM 0 HB2 ALA A 14 -7.804 -11.851 -12.775 1.00 53.55 H new ATOM 0 HB3 ALA A 14 -6.207 -12.632 -12.867 1.00 53.55 H new ATOM 246 N SER A 15 -5.841 -15.355 -12.422 1.00 65.51 N ATOM 247 CA SER A 15 -5.076 -16.538 -12.801 1.00 43.22 C ATOM 248 C SER A 15 -5.133 -17.596 -11.704 1.00 25.30 C ATOM 249 O SER A 15 -4.495 -18.645 -11.804 1.00 52.14 O ATOM 250 CB SER A 15 -3.621 -16.160 -13.086 1.00 61.25 C ATOM 251 OG SER A 15 -3.326 -16.275 -14.468 1.00 24.23 O ATOM 0 H SER A 15 -5.307 -14.653 -11.909 1.00 65.51 H new ATOM 0 HA SER A 15 -5.520 -16.954 -13.706 1.00 43.22 H new ATOM 0 HB2 SER A 15 -3.436 -15.138 -12.755 1.00 61.25 H new ATOM 0 HB3 SER A 15 -2.955 -16.806 -12.514 1.00 61.25 H new ATOM 0 HG SER A 15 -3.401 -17.213 -14.742 1.00 24.23 H new ATOM 257 N ARG A 16 -5.900 -17.313 -10.657 1.00 33.42 N ATOM 258 CA ARG A 16 -6.040 -18.240 -9.540 1.00 12.45 C ATOM 259 C ARG A 16 -6.434 -19.629 -10.031 1.00 62.35 C ATOM 260 O ARG A 16 -6.184 -20.630 -9.359 1.00 73.24 O ATOM 261 CB ARG A 16 -7.085 -17.723 -8.549 1.00 1.23 C ATOM 262 CG ARG A 16 -8.492 -18.224 -8.831 1.00 1.25 C ATOM 263 CD ARG A 16 -8.802 -19.486 -8.042 1.00 20.52 C ATOM 264 NE ARG A 16 -10.003 -19.340 -7.224 1.00 53.03 N ATOM 265 CZ ARG A 16 -10.716 -20.367 -6.775 1.00 54.14 C ATOM 266 NH1 ARG A 16 -10.351 -21.608 -7.063 1.00 24.51 N ATOM 267 NH2 ARG A 16 -11.798 -20.153 -6.037 1.00 3.12 N ATOM 0 H ARG A 16 -6.434 -16.450 -10.558 1.00 33.42 H new ATOM 0 HA ARG A 16 -5.075 -18.312 -9.038 1.00 12.45 H new ATOM 0 HB2 ARG A 16 -6.797 -18.022 -7.541 1.00 1.23 H new ATOM 0 HB3 ARG A 16 -7.085 -16.633 -8.570 1.00 1.23 H new ATOM 0 HG2 ARG A 16 -9.214 -17.448 -8.576 1.00 1.25 H new ATOM 0 HG3 ARG A 16 -8.602 -18.424 -9.897 1.00 1.25 H new ATOM 0 HD2 ARG A 16 -8.932 -20.321 -8.730 1.00 20.52 H new ATOM 0 HD3 ARG A 16 -7.955 -19.730 -7.401 1.00 20.52 H new ATOM 0 HE ARG A 16 -10.311 -18.398 -6.984 1.00 53.03 H new ATOM 0 HH11 ARG A 16 -9.521 -21.777 -7.631 1.00 24.51 H new ATOM 0 HH12 ARG A 16 -10.900 -22.395 -6.717 1.00 24.51 H new ATOM 0 HH21 ARG A 16 -12.083 -19.199 -5.814 1.00 3.12 H new ATOM 0 HH22 ARG A 16 -12.345 -20.942 -5.693 1.00 3.12 H new ATOM 281 N ARG A 17 -7.050 -19.682 -11.208 1.00 35.45 N ATOM 282 CA ARG A 17 -7.480 -20.949 -11.788 1.00 51.34 C ATOM 283 C ARG A 17 -6.736 -21.230 -13.091 1.00 15.51 C ATOM 284 O ARG A 17 -7.304 -21.777 -14.037 1.00 11.44 O ATOM 285 CB ARG A 17 -8.988 -20.932 -12.043 1.00 54.44 C ATOM 286 CG ARG A 17 -9.416 -19.925 -13.099 1.00 73.21 C ATOM 287 CD ARG A 17 -10.930 -19.869 -13.234 1.00 1.43 C ATOM 288 NE ARG A 17 -11.489 -21.147 -13.665 1.00 53.32 N ATOM 289 CZ ARG A 17 -12.716 -21.284 -14.156 1.00 0.11 C ATOM 290 NH1 ARG A 17 -13.507 -20.227 -14.277 1.00 52.11 N ATOM 291 NH2 ARG A 17 -13.154 -22.480 -14.527 1.00 65.41 N ATOM 0 H ARG A 17 -7.262 -18.863 -11.778 1.00 35.45 H new ATOM 0 HA ARG A 17 -7.248 -21.743 -11.078 1.00 51.34 H new ATOM 0 HB2 ARG A 17 -9.307 -21.927 -12.352 1.00 54.44 H new ATOM 0 HB3 ARG A 17 -9.503 -20.708 -11.109 1.00 54.44 H new ATOM 0 HG2 ARG A 17 -9.036 -18.938 -12.837 1.00 73.21 H new ATOM 0 HG3 ARG A 17 -8.974 -20.192 -14.059 1.00 73.21 H new ATOM 0 HD2 ARG A 17 -11.369 -19.586 -12.277 1.00 1.43 H new ATOM 0 HD3 ARG A 17 -11.201 -19.094 -13.951 1.00 1.43 H new ATOM 0 HE ARG A 17 -10.906 -21.980 -13.585 1.00 53.32 H new ATOM 0 HH11 ARG A 17 -13.174 -19.306 -13.993 1.00 52.11 H new ATOM 0 HH12 ARG A 17 -14.448 -20.335 -14.654 1.00 52.11 H new ATOM 0 HH21 ARG A 17 -12.549 -23.296 -14.435 1.00 65.41 H new ATOM 0 HH22 ARG A 17 -14.096 -22.584 -14.904 1.00 65.41 H new ATOM 305 N PHE A 18 -5.463 -20.851 -13.133 1.00 14.22 N ATOM 306 CA PHE A 18 -4.642 -21.060 -14.319 1.00 71.34 C ATOM 307 C PHE A 18 -3.903 -22.393 -14.241 1.00 72.11 C ATOM 308 O PHE A 18 -3.515 -22.960 -15.262 1.00 64.43 O ATOM 309 CB PHE A 18 -3.638 -19.916 -14.479 1.00 74.54 C ATOM 310 CG PHE A 18 -3.210 -19.689 -15.901 1.00 14.10 C ATOM 311 CD1 PHE A 18 -2.337 -20.565 -16.524 1.00 61.42 C ATOM 312 CD2 PHE A 18 -3.681 -18.598 -16.614 1.00 34.10 C ATOM 313 CE1 PHE A 18 -1.941 -20.359 -17.832 1.00 73.15 C ATOM 314 CE2 PHE A 18 -3.290 -18.387 -17.922 1.00 43.04 C ATOM 315 CZ PHE A 18 -2.418 -19.268 -18.532 1.00 43.21 C ATOM 0 H PHE A 18 -4.978 -20.397 -12.359 1.00 14.22 H new ATOM 0 HA PHE A 18 -5.301 -21.080 -15.187 1.00 71.34 H new ATOM 0 HB2 PHE A 18 -4.080 -18.999 -14.090 1.00 74.54 H new ATOM 0 HB3 PHE A 18 -2.758 -20.128 -13.872 1.00 74.54 H new ATOM 0 HD1 PHE A 18 -1.961 -21.420 -15.981 1.00 61.42 H new ATOM 0 HD2 PHE A 18 -4.361 -17.905 -16.142 1.00 34.10 H new ATOM 0 HE1 PHE A 18 -1.260 -21.050 -18.306 1.00 73.15 H new ATOM 0 HE2 PHE A 18 -3.666 -17.534 -18.467 1.00 43.04 H new ATOM 0 HZ PHE A 18 -2.110 -19.104 -19.554 1.00 43.21 H new ATOM 325 N ARG A 19 -3.713 -22.886 -13.022 1.00 24.41 N ATOM 326 CA ARG A 19 -3.019 -24.151 -12.809 1.00 51.02 C ATOM 327 C ARG A 19 -3.875 -25.325 -13.274 1.00 71.41 C ATOM 328 O ARG A 19 -3.365 -26.294 -13.838 1.00 1.03 O ATOM 329 CB ARG A 19 -2.663 -24.319 -11.331 1.00 62.41 C ATOM 330 CG ARG A 19 -1.493 -23.457 -10.884 1.00 75.23 C ATOM 331 CD ARG A 19 -1.301 -23.518 -9.377 1.00 44.32 C ATOM 332 NE ARG A 19 -2.207 -22.615 -8.673 1.00 11.04 N ATOM 333 CZ ARG A 19 -2.077 -22.296 -7.390 1.00 24.23 C ATOM 334 NH1 ARG A 19 -1.082 -22.804 -6.675 1.00 1.20 N ATOM 335 NH2 ARG A 19 -2.942 -21.468 -6.819 1.00 41.44 N ATOM 0 H ARG A 19 -4.030 -22.429 -12.167 1.00 24.41 H new ATOM 0 HA ARG A 19 -2.101 -24.137 -13.397 1.00 51.02 H new ATOM 0 HB2 ARG A 19 -3.536 -24.074 -10.726 1.00 62.41 H new ATOM 0 HB3 ARG A 19 -2.426 -25.366 -11.140 1.00 62.41 H new ATOM 0 HG2 ARG A 19 -0.583 -23.791 -11.382 1.00 75.23 H new ATOM 0 HG3 ARG A 19 -1.663 -22.424 -11.189 1.00 75.23 H new ATOM 0 HD2 ARG A 19 -1.466 -24.539 -9.032 1.00 44.32 H new ATOM 0 HD3 ARG A 19 -0.270 -23.261 -9.132 1.00 44.32 H new ATOM 0 HE ARG A 19 -2.982 -22.207 -9.195 1.00 11.04 H new ATOM 0 HH11 ARG A 19 -0.415 -23.441 -7.110 1.00 1.20 H new ATOM 0 HH12 ARG A 19 -0.984 -22.558 -5.690 1.00 1.20 H new ATOM 0 HH21 ARG A 19 -3.709 -21.075 -7.365 1.00 41.44 H new ATOM 0 HH22 ARG A 19 -2.840 -21.224 -5.834 1.00 41.44 H new ATOM 349 N TYR A 20 -5.178 -25.233 -13.034 1.00 12.53 N ATOM 350 CA TYR A 20 -6.105 -26.288 -13.425 1.00 22.21 C ATOM 351 C TYR A 20 -6.293 -26.314 -14.939 1.00 34.24 C ATOM 352 O TYR A 20 -6.210 -27.369 -15.569 1.00 41.44 O ATOM 353 CB TYR A 20 -7.456 -26.092 -12.735 1.00 4.43 C ATOM 354 CG TYR A 20 -7.341 -25.630 -11.300 1.00 3.35 C ATOM 355 CD1 TYR A 20 -6.977 -26.514 -10.291 1.00 54.23 C ATOM 356 CD2 TYR A 20 -7.595 -24.308 -10.952 1.00 63.51 C ATOM 357 CE1 TYR A 20 -6.872 -26.096 -8.979 1.00 31.13 C ATOM 358 CE2 TYR A 20 -7.490 -23.882 -9.642 1.00 54.43 C ATOM 359 CZ TYR A 20 -7.129 -24.779 -8.659 1.00 73.23 C ATOM 360 OH TYR A 20 -7.024 -24.359 -7.353 1.00 51.12 O ATOM 0 H TYR A 20 -5.617 -24.438 -12.570 1.00 12.53 H new ATOM 0 HA TYR A 20 -5.681 -27.243 -13.113 1.00 22.21 H new ATOM 0 HB2 TYR A 20 -8.039 -25.363 -13.297 1.00 4.43 H new ATOM 0 HB3 TYR A 20 -8.008 -27.031 -12.762 1.00 4.43 H new ATOM 0 HD1 TYR A 20 -6.773 -27.546 -10.537 1.00 54.23 H new ATOM 0 HD2 TYR A 20 -7.879 -23.602 -11.719 1.00 63.51 H new ATOM 0 HE1 TYR A 20 -6.590 -26.797 -8.207 1.00 31.13 H new ATOM 0 HE2 TYR A 20 -7.690 -22.851 -9.389 1.00 54.43 H new ATOM 0 HH TYR A 20 -7.237 -23.404 -7.298 1.00 51.12 H new ATOM 370 N THR A 21 -6.548 -25.144 -15.517 1.00 33.51 N ATOM 371 CA THR A 21 -6.750 -25.031 -16.956 1.00 4.02 C ATOM 372 C THR A 21 -5.476 -25.379 -17.718 1.00 51.42 C ATOM 373 O THR A 21 -5.529 -25.813 -18.870 1.00 5.32 O ATOM 374 CB THR A 21 -7.199 -23.611 -17.350 1.00 31.40 C ATOM 375 OG1 THR A 21 -7.598 -23.588 -18.725 1.00 43.11 O ATOM 376 CG2 THR A 21 -6.079 -22.607 -17.124 1.00 52.11 C ATOM 0 H THR A 21 -6.619 -24.262 -15.010 1.00 33.51 H new ATOM 0 HA THR A 21 -7.535 -25.739 -17.222 1.00 4.02 H new ATOM 0 HB THR A 21 -8.045 -23.333 -16.722 1.00 31.40 H new ATOM 0 HG1 THR A 21 -7.884 -22.682 -18.968 1.00 43.11 H new ATOM 0 HG21 THR A 21 -6.420 -21.612 -17.409 1.00 52.11 H new ATOM 0 HG22 THR A 21 -5.798 -22.606 -16.071 1.00 52.11 H new ATOM 0 HG23 THR A 21 -5.216 -22.882 -17.730 1.00 52.11 H new ATOM 384 N LEU A 22 -4.333 -25.186 -17.070 1.00 2.03 N ATOM 385 CA LEU A 22 -3.044 -25.480 -17.687 1.00 32.30 C ATOM 386 C LEU A 22 -2.706 -26.962 -17.561 1.00 23.21 C ATOM 387 O LEU A 22 -2.123 -27.555 -18.469 1.00 24.44 O ATOM 388 CB LEU A 22 -1.943 -24.637 -17.041 1.00 60.35 C ATOM 389 CG LEU A 22 -0.517 -24.919 -17.516 1.00 40.43 C ATOM 390 CD1 LEU A 22 0.084 -23.681 -18.164 1.00 51.21 C ATOM 391 CD2 LEU A 22 0.348 -25.389 -16.356 1.00 43.03 C ATOM 0 H LEU A 22 -4.272 -24.827 -16.117 1.00 2.03 H new ATOM 0 HA LEU A 22 -3.110 -25.230 -18.746 1.00 32.30 H new ATOM 0 HB2 LEU A 22 -2.164 -23.585 -17.223 1.00 60.35 H new ATOM 0 HB3 LEU A 22 -1.982 -24.789 -15.962 1.00 60.35 H new ATOM 0 HG LEU A 22 -0.553 -25.713 -18.262 1.00 40.43 H new ATOM 0 HD11 LEU A 22 1.099 -23.900 -18.496 1.00 51.21 H new ATOM 0 HD12 LEU A 22 -0.523 -23.388 -19.021 1.00 51.21 H new ATOM 0 HD13 LEU A 22 0.107 -22.866 -17.440 1.00 51.21 H new ATOM 0 HD21 LEU A 22 1.359 -25.585 -16.712 1.00 43.03 H new ATOM 0 HD22 LEU A 22 0.377 -24.616 -15.588 1.00 43.03 H new ATOM 0 HD23 LEU A 22 -0.072 -26.303 -15.936 1.00 43.03 H new ATOM 403 N ASP A 23 -3.077 -27.554 -16.431 1.00 72.54 N ATOM 404 CA ASP A 23 -2.816 -28.968 -16.188 1.00 31.43 C ATOM 405 C ASP A 23 -3.788 -29.844 -16.973 1.00 12.44 C ATOM 406 O ASP A 23 -3.481 -30.990 -17.302 1.00 32.34 O ATOM 407 CB ASP A 23 -2.923 -29.279 -14.694 1.00 13.42 C ATOM 408 CG ASP A 23 -2.259 -30.591 -14.326 1.00 4.51 C ATOM 409 OD1 ASP A 23 -2.896 -31.650 -14.505 1.00 42.31 O ATOM 410 OD2 ASP A 23 -1.101 -30.558 -13.859 1.00 61.24 O ATOM 0 H ASP A 23 -3.559 -27.077 -15.669 1.00 72.54 H new ATOM 0 HA ASP A 23 -1.803 -29.188 -16.526 1.00 31.43 H new ATOM 0 HB2 ASP A 23 -2.465 -28.471 -14.124 1.00 13.42 H new ATOM 0 HB3 ASP A 23 -3.974 -29.314 -14.408 1.00 13.42 H new ATOM 415 N LEU A 24 -4.962 -29.296 -17.269 1.00 21.51 N ATOM 416 CA LEU A 24 -5.980 -30.028 -18.015 1.00 15.43 C ATOM 417 C LEU A 24 -5.418 -30.557 -19.330 1.00 5.12 C ATOM 418 O LEU A 24 -5.862 -31.586 -19.839 1.00 31.13 O ATOM 419 CB LEU A 24 -7.185 -29.126 -18.289 1.00 15.03 C ATOM 420 CG LEU A 24 -8.546 -29.822 -18.341 1.00 11.20 C ATOM 421 CD1 LEU A 24 -9.018 -30.178 -16.940 1.00 25.43 C ATOM 422 CD2 LEU A 24 -9.569 -28.940 -19.042 1.00 14.04 C ATOM 0 H LEU A 24 -5.232 -28.349 -17.004 1.00 21.51 H new ATOM 0 HA LEU A 24 -6.298 -30.877 -17.410 1.00 15.43 H new ATOM 0 HB2 LEU A 24 -7.221 -28.358 -17.517 1.00 15.03 H new ATOM 0 HB3 LEU A 24 -7.023 -28.616 -19.239 1.00 15.03 H new ATOM 0 HG LEU A 24 -8.439 -30.745 -18.911 1.00 11.20 H new ATOM 0 HD11 LEU A 24 -9.988 -30.672 -16.997 1.00 25.43 H new ATOM 0 HD12 LEU A 24 -8.296 -30.848 -16.472 1.00 25.43 H new ATOM 0 HD13 LEU A 24 -9.109 -29.269 -16.345 1.00 25.43 H new ATOM 0 HD21 LEU A 24 -10.531 -29.451 -19.070 1.00 14.04 H new ATOM 0 HD22 LEU A 24 -9.672 -28.001 -18.499 1.00 14.04 H new ATOM 0 HD23 LEU A 24 -9.237 -28.736 -20.060 1.00 14.04 H new ATOM 434 N LYS A 25 -4.435 -29.848 -19.875 1.00 1.22 N ATOM 435 CA LYS A 25 -3.807 -30.247 -21.129 1.00 13.21 C ATOM 436 C LYS A 25 -3.345 -31.699 -21.068 1.00 61.11 C ATOM 437 O LYS A 25 -3.186 -32.265 -19.986 1.00 63.23 O ATOM 438 CB LYS A 25 -2.619 -29.335 -21.441 1.00 42.31 C ATOM 439 CG LYS A 25 -1.402 -29.602 -20.572 1.00 14.45 C ATOM 440 CD LYS A 25 -0.316 -28.563 -20.798 1.00 33.30 C ATOM 441 CE LYS A 25 1.017 -29.016 -20.222 1.00 35.12 C ATOM 442 NZ LYS A 25 1.088 -28.798 -18.750 1.00 55.04 N ATOM 0 H LYS A 25 -4.056 -28.993 -19.467 1.00 1.22 H new ATOM 0 HA LYS A 25 -4.547 -30.153 -21.923 1.00 13.21 H new ATOM 0 HB2 LYS A 25 -2.342 -29.459 -22.488 1.00 42.31 H new ATOM 0 HB3 LYS A 25 -2.925 -28.297 -21.313 1.00 42.31 H new ATOM 0 HG2 LYS A 25 -1.696 -29.600 -19.522 1.00 14.45 H new ATOM 0 HG3 LYS A 25 -1.008 -30.595 -20.791 1.00 14.45 H new ATOM 0 HD2 LYS A 25 -0.207 -28.375 -21.866 1.00 33.30 H new ATOM 0 HD3 LYS A 25 -0.611 -27.620 -20.337 1.00 33.30 H new ATOM 0 HE2 LYS A 25 1.166 -30.073 -20.440 1.00 35.12 H new ATOM 0 HE3 LYS A 25 1.827 -28.473 -20.709 1.00 35.12 H new ATOM 0 HZ1 LYS A 25 2.011 -29.119 -18.396 1.00 55.04 H new ATOM 0 HZ2 LYS A 25 0.971 -27.786 -18.543 1.00 55.04 H new ATOM 0 HZ3 LYS A 25 0.331 -29.337 -18.282 1.00 55.04 H new TER 456 LYS A 25 END