HEADER CYTOTOXIN 22-JUL-96 1KBS TITLE SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CTX IV; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYTOTOXIN 4 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; SOURCE 3 ORGANISM_COMMON: CHINESE COBRA; SOURCE 4 ORGANISM_TAXID: 8656 KEYWDS VENOM, CYTOTOXIN, CARDIOTOXIN, MULTIGENE FAMILY EXPDTA SOLUTION NMR AUTHOR J.Y.JENG,T.K.S.KUMAR,G.JAYARAMAN,C.YU REVDAT 2 24-FEB-09 1KBS 1 VERSN REVDAT 1 23-JUL-97 1KBS 0 JRNL AUTH J.Y.JANG,T.KRISHNASWAMY,S.KUMAR,G.JAYARAMAN, JRNL AUTH 2 P.W.YANG,C.YU JRNL TITL COMPARISON OF THE HEMOLYTIC ACTIVITY AND SOLUTION JRNL TITL 2 STRUCTURES OF TWO SNAKE VENOM CARDIOTOXIN JRNL TITL 3 ANALOGUES WHICH ONLY DIFFER IN THEIR N-TERMINAL JRNL TITL 4 AMINO ACID. JRNL REF BIOCHEMISTRY V. 36 14635 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9398182 JRNL DOI 10.1021/BI971107A REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.S.PENG,T.K.S.KUMAR,G.JAYARAMAN,C.C.CHANG,C.YU REMARK 1 TITL SOLUTION STRUCTURE OF TOXIN B, A LONG NEUROTOXIN REMARK 1 TITL 2 FROM THE VENOM OF THE KING COBRA (OPHIOPHAGUS REMARK 1 TITL 3 HANNAH) REMARK 1 REF J.BIOL.CHEM. V. 272 7817 1997 REMARK 1 REFN ISSN 0021-9258 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 1KBS 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) : NULL REMARK 210 PH : NULL 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 1 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 VAL A 7 CB - CA - C ANGL. DEV. = 14.2 DEGREES REMARK 500 LEU A 20 CB - CA - C ANGL. DEV. = 12.0 DEGREES REMARK 500 LEU A 20 CB - CG - CD2 ANGL. DEV. = 27.5 DEGREES REMARK 500 CYS A 21 CA - CB - SG ANGL. DEV. = 8.4 DEGREES REMARK 500 ARG A 36 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 ARG A 58 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 CYS A 59 CB - CA - C ANGL. DEV. = 11.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 6 -60.35 -134.96 REMARK 500 VAL A 7 -148.23 -121.12 REMARK 500 PRO A 15 -133.56 -80.39 REMARK 500 ASN A 19 -76.75 -95.08 REMARK 500 LEU A 20 -155.50 -107.81 REMARK 500 THR A 31 -155.19 -113.42 REMARK 500 VAL A 32 -52.11 -173.59 REMARK 500 VAL A 34 -70.20 -154.36 REMARK 500 PRO A 43 -117.47 -82.61 REMARK 500 LYS A 44 -167.58 -108.48 REMARK 500 VAL A 52 76.31 -104.82 REMARK 500 ASP A 57 -28.09 -39.30 REMARK 500 CYS A 59 -80.17 -150.82 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 1 0.32 SIDE_CHAIN REMARK 500 TYR A 11 0.07 SIDE_CHAIN REMARK 500 PHE A 25 0.09 SIDE_CHAIN REMARK 500 ARG A 36 0.08 SIDE_CHAIN REMARK 500 ARG A 58 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KBT RELATED DB: PDB DBREF 1KBS A 1 60 UNP P01443 CTX4_NAJAT 22 81 SEQRES 1 A 60 ARG LYS CYS ASN LYS LEU VAL PRO LEU PHE TYR LYS THR SEQRES 2 A 60 CYS PRO ALA GLY LYS ASN LEU CYS TYR LYS MET PHE MET SEQRES 3 A 60 VAL SER ASN LEU THR VAL PRO VAL LYS ARG GLY CYS ILE SEQRES 4 A 60 ASP VAL CYS PRO LYS ASN SER ALA LEU VAL LYS TYR VAL SEQRES 5 A 60 CYS CYS ASN THR ASP ARG CYS ASN SHEET 1 S1 2 LYS A 2 LYS A 5 0 SHEET 2 S1 2 TYR A 11 CYS A 14 -1 SHEET 1 S2 3 VAL A 34 ILE A 39 0 SHEET 2 S2 3 LEU A 20 PHE A 25 -1 SHEET 3 S2 3 LYS A 50 ASN A 55 -1 SSBOND 1 CYS A 3 CYS A 21 1555 1555 2.01 SSBOND 2 CYS A 14 CYS A 38 1555 1555 2.01 SSBOND 3 CYS A 42 CYS A 53 1555 1555 2.03 SSBOND 4 CYS A 54 CYS A 59 1555 1555 2.04 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 ARG A 1 -11.203 -6.675 6.332 1.00 2.44 N ATOM 2 CA ARG A 1 -11.671 -5.409 5.773 1.00 2.58 C ATOM 3 C ARG A 1 -11.023 -5.159 4.409 1.00 2.36 C ATOM 4 O ARG A 1 -10.929 -6.055 3.597 1.00 2.35 O ATOM 5 CB ARG A 1 -11.657 -4.245 6.822 1.00 2.99 C ATOM 6 CG ARG A 1 -12.614 -4.622 7.971 1.00 3.18 C ATOM 7 CD ARG A 1 -12.424 -4.063 9.407 1.00 3.01 C ATOM 8 NE ARG A 1 -11.097 -4.090 10.049 1.00 2.86 N ATOM 9 CZ ARG A 1 -11.018 -3.710 11.360 1.00 2.97 C ATOM 10 NH1 ARG A 1 -10.898 -2.403 11.701 1.00 3.39 N ATOM 11 NH2 ARG A 1 -11.029 -4.703 12.271 1.00 3.14 N ATOM 12 H1 ARG A 1 -10.305 -7.033 5.950 1.00 2.73 H ATOM 13 H2 ARG A 1 -11.085 -6.675 7.362 1.00 2.61 H ATOM 14 H3 ARG A 1 -11.917 -7.338 5.948 1.00 2.62 H ATOM 15 HA ARG A 1 -12.708 -5.636 5.527 1.00 2.91 H ATOM 16 HB2 ARG A 1 -10.672 -4.080 7.268 1.00 3.34 H ATOM 17 HB3 ARG A 1 -12.006 -3.314 6.345 1.00 3.32 H ATOM 18 HG2 ARG A 1 -13.581 -4.219 7.695 1.00 3.39 H ATOM 19 HG3 ARG A 1 -12.744 -5.709 8.018 1.00 3.73 H ATOM 20 HD2 ARG A 1 -12.783 -3.031 9.500 1.00 3.26 H ATOM 21 HD3 ARG A 1 -13.027 -4.723 10.033 1.00 3.12 H ATOM 22 HE ARG A 1 -10.188 -4.097 9.579 1.00 2.80 H ATOM 23 HH11 ARG A 1 -11.173 -1.679 11.067 1.00 3.72 H ATOM 24 HH12 ARG A 1 -10.512 -2.105 12.574 1.00 3.63 H ATOM 25 HH21 ARG A 1 -10.868 -5.648 11.948 1.00 3.42 H ATOM 26 HH22 ARG A 1 -11.180 -4.594 13.269 1.00 3.28 H ATOM 27 N LYS A 2 -10.679 -3.891 4.237 1.00 2.25 N ATOM 28 CA LYS A 2 -10.429 -3.267 2.962 1.00 2.09 C ATOM 29 C LYS A 2 -9.569 -2.070 3.274 1.00 1.96 C ATOM 30 O LYS A 2 -9.261 -1.794 4.420 1.00 2.01 O ATOM 31 CB LYS A 2 -11.772 -2.836 2.331 1.00 2.18 C ATOM 32 CG LYS A 2 -12.862 -2.268 3.258 1.00 2.55 C ATOM 33 CD LYS A 2 -14.136 -3.111 3.208 1.00 2.69 C ATOM 34 CE LYS A 2 -15.193 -2.707 4.241 1.00 3.20 C ATOM 35 NZ LYS A 2 -16.446 -3.454 4.122 1.00 3.27 N ATOM 36 H LYS A 2 -10.481 -3.345 5.043 1.00 2.31 H ATOM 37 HA LYS A 2 -9.847 -3.945 2.328 1.00 2.07 H ATOM 38 HB2 LYS A 2 -11.583 -2.004 1.654 1.00 2.23 H ATOM 39 HB3 LYS A 2 -12.161 -3.688 1.754 1.00 2.23 H ATOM 40 HG2 LYS A 2 -12.472 -2.135 4.266 1.00 2.92 H ATOM 41 HG3 LYS A 2 -13.116 -1.263 2.896 1.00 2.84 H ATOM 42 HD2 LYS A 2 -14.544 -3.040 2.204 1.00 2.80 H ATOM 43 HD3 LYS A 2 -13.869 -4.154 3.364 1.00 2.77 H ATOM 44 HE2 LYS A 2 -14.807 -2.903 5.247 1.00 3.45 H ATOM 45 HE3 LYS A 2 -15.430 -1.638 4.214 1.00 3.73 H ATOM 46 HZ1 LYS A 2 -16.289 -4.435 3.807 1.00 3.46 H ATOM 47 HZ2 LYS A 2 -16.903 -3.458 5.049 1.00 3.61 H ATOM 48 HZ3 LYS A 2 -17.092 -2.993 3.431 1.00 3.35 H ATOM 49 N CYS A 3 -9.181 -1.388 2.190 1.00 1.84 N ATOM 50 CA CYS A 3 -8.235 -0.299 2.272 1.00 1.74 C ATOM 51 C CYS A 3 -8.817 1.013 1.878 1.00 1.84 C ATOM 52 O CYS A 3 -8.765 1.424 0.735 1.00 1.84 O ATOM 53 CB CYS A 3 -7.062 -0.563 1.364 1.00 1.55 C ATOM 54 SG CYS A 3 -6.837 -2.281 1.026 1.00 1.84 S ATOM 55 H CYS A 3 -9.527 -1.635 1.285 1.00 1.84 H ATOM 56 HA CYS A 3 -7.963 -0.197 3.296 1.00 1.79 H ATOM 57 HB2 CYS A 3 -7.143 -0.116 0.378 1.00 1.71 H ATOM 58 HB3 CYS A 3 -6.179 -0.161 1.834 1.00 1.52 H ATOM 59 N ASN A 4 -9.322 1.715 2.895 1.00 2.00 N ATOM 60 CA ASN A 4 -10.131 2.881 2.574 1.00 2.13 C ATOM 61 C ASN A 4 -9.252 4.058 2.085 1.00 1.84 C ATOM 62 O ASN A 4 -9.704 5.185 2.094 1.00 1.81 O ATOM 63 CB ASN A 4 -10.944 3.329 3.806 1.00 2.45 C ATOM 64 CG ASN A 4 -11.924 2.234 4.286 1.00 2.64 C ATOM 65 OD1 ASN A 4 -11.821 1.077 3.894 1.00 3.09 O ATOM 66 ND2 ASN A 4 -12.832 2.652 5.174 1.00 2.75 N ATOM 67 H ASN A 4 -9.277 1.341 3.821 1.00 2.09 H ATOM 68 HA ASN A 4 -10.812 2.590 1.770 1.00 2.25 H ATOM 69 HB2 ASN A 4 -10.285 3.591 4.633 1.00 2.49 H ATOM 70 HB3 ASN A 4 -11.497 4.237 3.561 1.00 2.63 H ATOM 71 HD21 ASN A 4 -13.026 3.566 5.521 1.00 2.98 H ATOM 72 HD22 ASN A 4 -13.380 1.897 5.555 1.00 2.88 H ATOM 73 N LYS A 5 -7.982 3.754 1.736 1.00 1.68 N ATOM 74 CA LYS A 5 -6.960 4.680 1.283 1.00 1.45 C ATOM 75 C LYS A 5 -6.144 3.868 0.277 1.00 1.37 C ATOM 76 O LYS A 5 -5.983 2.675 0.446 1.00 1.81 O ATOM 77 CB LYS A 5 -5.999 5.058 2.434 1.00 1.38 C ATOM 78 CG LYS A 5 -6.216 6.477 3.012 1.00 1.49 C ATOM 79 CD LYS A 5 -7.665 6.858 3.406 1.00 1.87 C ATOM 80 CE LYS A 5 -7.709 8.126 4.327 1.00 2.14 C ATOM 81 NZ LYS A 5 -8.958 8.849 4.702 1.00 2.53 N ATOM 82 H LYS A 5 -7.717 2.815 1.513 1.00 1.73 H ATOM 83 HA LYS A 5 -7.431 5.541 0.816 1.00 1.48 H ATOM 84 HB2 LYS A 5 -6.023 4.265 3.183 1.00 1.51 H ATOM 85 HB3 LYS A 5 -4.971 5.042 2.065 1.00 1.33 H ATOM 86 HG2 LYS A 5 -5.540 6.632 3.850 1.00 1.79 H ATOM 87 HG3 LYS A 5 -5.892 7.196 2.261 1.00 2.04 H ATOM 88 HD2 LYS A 5 -8.153 7.008 2.440 1.00 2.34 H ATOM 89 HD3 LYS A 5 -8.155 5.990 3.856 1.00 2.19 H ATOM 90 HE2 LYS A 5 -7.225 7.873 5.265 1.00 2.48 H ATOM 91 HE3 LYS A 5 -7.092 8.881 3.846 1.00 2.39 H ATOM 92 HZ1 LYS A 5 -9.639 8.249 5.199 1.00 2.74 H ATOM 93 HZ2 LYS A 5 -8.709 9.639 5.330 1.00 2.74 H ATOM 94 HZ3 LYS A 5 -9.455 9.289 3.905 1.00 3.12 H ATOM 95 N LEU A 6 -5.558 4.579 -0.704 1.00 1.26 N ATOM 96 CA LEU A 6 -4.468 4.009 -1.506 1.00 1.14 C ATOM 97 C LEU A 6 -3.382 5.069 -1.617 1.00 0.98 C ATOM 98 O LEU A 6 -2.237 4.931 -1.188 1.00 1.08 O ATOM 99 CB LEU A 6 -4.969 3.460 -2.856 1.00 1.22 C ATOM 100 CG LEU A 6 -5.677 2.099 -2.681 1.00 1.47 C ATOM 101 CD1 LEU A 6 -7.183 2.237 -2.367 1.00 1.73 C ATOM 102 CD2 LEU A 6 -5.375 1.141 -3.848 1.00 1.64 C ATOM 103 H LEU A 6 -5.961 5.482 -0.896 1.00 1.60 H ATOM 104 HA LEU A 6 -3.996 3.216 -0.939 1.00 1.16 H ATOM 105 HB2 LEU A 6 -5.635 4.161 -3.330 1.00 1.35 H ATOM 106 HB3 LEU A 6 -4.115 3.353 -3.525 1.00 1.33 H ATOM 107 HG LEU A 6 -5.248 1.596 -1.812 1.00 1.71 H ATOM 108 HD11 LEU A 6 -7.376 3.102 -1.758 1.00 1.72 H ATOM 109 HD12 LEU A 6 -7.800 2.377 -3.251 1.00 2.05 H ATOM 110 HD13 LEU A 6 -7.544 1.389 -1.780 1.00 2.42 H ATOM 111 HD21 LEU A 6 -4.319 1.150 -4.107 1.00 2.11 H ATOM 112 HD22 LEU A 6 -5.666 0.118 -3.617 1.00 1.77 H ATOM 113 HD23 LEU A 6 -5.887 1.418 -4.766 1.00 2.05 H ATOM 114 N VAL A 7 -3.877 6.138 -2.211 1.00 0.98 N ATOM 115 CA VAL A 7 -3.066 7.250 -2.609 1.00 0.86 C ATOM 116 C VAL A 7 -3.713 8.425 -1.817 1.00 1.03 C ATOM 117 O VAL A 7 -4.212 8.131 -0.739 1.00 1.53 O ATOM 118 CB VAL A 7 -2.944 7.159 -4.159 1.00 0.85 C ATOM 119 CG1 VAL A 7 -1.458 7.211 -4.508 1.00 0.79 C ATOM 120 CG2 VAL A 7 -3.548 5.915 -4.881 1.00 1.04 C ATOM 121 H VAL A 7 -4.863 6.176 -2.360 1.00 1.19 H ATOM 122 HA VAL A 7 -2.081 7.122 -2.157 1.00 0.79 H ATOM 123 HB VAL A 7 -3.455 7.972 -4.646 1.00 1.20 H ATOM 124 HG11 VAL A 7 -0.933 6.382 -4.038 1.00 1.03 H ATOM 125 HG12 VAL A 7 -1.373 7.151 -5.592 1.00 1.52 H ATOM 126 HG13 VAL A 7 -0.960 8.128 -4.203 1.00 1.34 H ATOM 127 HG21 VAL A 7 -4.487 5.557 -4.495 1.00 1.58 H ATOM 128 HG22 VAL A 7 -3.707 6.121 -5.943 1.00 1.36 H ATOM 129 HG23 VAL A 7 -2.883 5.055 -4.837 1.00 1.60 H ATOM 130 N PRO A 8 -3.744 9.710 -2.285 1.00 0.90 N ATOM 131 CA PRO A 8 -4.194 10.793 -1.398 1.00 1.06 C ATOM 132 C PRO A 8 -5.693 10.645 -1.055 1.00 1.14 C ATOM 133 O PRO A 8 -6.130 10.903 0.060 1.00 1.50 O ATOM 134 CB PRO A 8 -3.855 12.095 -2.165 1.00 1.37 C ATOM 135 CG PRO A 8 -3.588 11.689 -3.614 1.00 1.57 C ATOM 136 CD PRO A 8 -3.385 10.171 -3.620 1.00 1.17 C ATOM 137 HA PRO A 8 -3.627 10.797 -0.464 1.00 1.38 H ATOM 138 HB2 PRO A 8 -4.612 12.878 -2.084 1.00 1.41 H ATOM 139 HB3 PRO A 8 -2.935 12.531 -1.772 1.00 1.73 H ATOM 140 HG2 PRO A 8 -4.462 11.951 -4.212 1.00 1.76 H ATOM 141 HG3 PRO A 8 -2.734 12.218 -4.039 1.00 2.01 H ATOM 142 HD2 PRO A 8 -4.082 9.778 -4.354 1.00 1.27 H ATOM 143 HD3 PRO A 8 -2.368 9.880 -3.886 1.00 1.40 H ATOM 144 N LEU A 9 -6.428 10.168 -2.091 1.00 1.31 N ATOM 145 CA LEU A 9 -7.901 10.310 -2.159 1.00 1.73 C ATOM 146 C LEU A 9 -8.618 9.013 -2.653 1.00 1.71 C ATOM 147 O LEU A 9 -9.828 8.968 -2.794 1.00 2.09 O ATOM 148 CB LEU A 9 -8.208 11.559 -3.038 1.00 2.26 C ATOM 149 CG LEU A 9 -8.502 11.326 -4.547 1.00 2.36 C ATOM 150 CD1 LEU A 9 -10.011 11.121 -4.820 1.00 2.65 C ATOM 151 CD2 LEU A 9 -7.884 12.417 -5.462 1.00 2.70 C ATOM 152 H LEU A 9 -5.925 9.952 -2.922 1.00 1.41 H ATOM 153 HA LEU A 9 -8.261 10.503 -1.139 1.00 1.87 H ATOM 154 HB2 LEU A 9 -9.036 12.111 -2.596 1.00 2.62 H ATOM 155 HB3 LEU A 9 -7.362 12.239 -2.949 1.00 2.44 H ATOM 156 HG LEU A 9 -8.011 10.396 -4.858 1.00 2.17 H ATOM 157 HD11 LEU A 9 -10.620 11.171 -3.919 1.00 2.84 H ATOM 158 HD12 LEU A 9 -10.412 11.864 -5.508 1.00 3.04 H ATOM 159 HD13 LEU A 9 -10.191 10.150 -5.278 1.00 2.81 H ATOM 160 HD21 LEU A 9 -7.478 13.270 -4.919 1.00 2.84 H ATOM 161 HD22 LEU A 9 -7.074 11.999 -6.063 1.00 2.93 H ATOM 162 HD23 LEU A 9 -8.599 12.832 -6.172 1.00 3.05 H ATOM 163 N PHE A 10 -7.800 7.977 -2.900 1.00 1.38 N ATOM 164 CA PHE A 10 -8.281 6.736 -3.506 1.00 1.42 C ATOM 165 C PHE A 10 -8.564 5.837 -2.323 1.00 1.46 C ATOM 166 O PHE A 10 -7.950 6.011 -1.285 1.00 1.48 O ATOM 167 CB PHE A 10 -7.145 6.084 -4.298 1.00 1.32 C ATOM 168 CG PHE A 10 -6.817 6.815 -5.566 1.00 1.35 C ATOM 169 CD1 PHE A 10 -6.208 8.062 -5.514 1.00 1.74 C ATOM 170 CD2 PHE A 10 -7.114 6.245 -6.795 1.00 1.75 C ATOM 171 CE1 PHE A 10 -5.907 8.753 -6.680 1.00 1.82 C ATOM 172 CE2 PHE A 10 -6.822 6.933 -7.966 1.00 1.84 C ATOM 173 CZ PHE A 10 -6.225 8.183 -7.902 1.00 1.56 C ATOM 174 H PHE A 10 -6.922 7.980 -2.440 1.00 1.21 H ATOM 175 HA PHE A 10 -9.171 6.907 -4.121 1.00 1.57 H ATOM 176 HB2 PHE A 10 -6.273 6.108 -3.653 1.00 1.26 H ATOM 177 HB3 PHE A 10 -7.344 5.028 -4.520 1.00 1.39 H ATOM 178 HD1 PHE A 10 -5.992 8.486 -4.553 1.00 2.33 H ATOM 179 HD2 PHE A 10 -7.574 5.269 -6.837 1.00 2.33 H ATOM 180 HE1 PHE A 10 -5.451 9.737 -6.693 1.00 2.43 H ATOM 181 HE2 PHE A 10 -7.061 6.528 -8.940 1.00 2.46 H ATOM 182 HZ PHE A 10 -6.003 8.722 -8.819 1.00 1.69 H ATOM 183 N TYR A 11 -9.497 4.907 -2.524 1.00 1.64 N ATOM 184 CA TYR A 11 -9.983 4.027 -1.466 1.00 1.74 C ATOM 185 C TYR A 11 -10.406 2.779 -2.237 1.00 1.87 C ATOM 186 O TYR A 11 -10.764 2.906 -3.391 1.00 2.10 O ATOM 187 CB TYR A 11 -11.115 4.754 -0.684 1.00 1.96 C ATOM 188 CG TYR A 11 -12.193 5.222 -1.623 1.00 2.20 C ATOM 189 CD1 TYR A 11 -12.030 6.399 -2.340 1.00 2.60 C ATOM 190 CD2 TYR A 11 -13.322 4.447 -1.834 1.00 2.59 C ATOM 191 CE1 TYR A 11 -12.941 6.754 -3.325 1.00 2.85 C ATOM 192 CE2 TYR A 11 -14.241 4.798 -2.813 1.00 2.88 C ATOM 193 CZ TYR A 11 -14.031 5.934 -3.571 1.00 2.79 C ATOM 194 OH TYR A 11 -14.897 6.216 -4.606 1.00 3.13 O ATOM 195 H TYR A 11 -9.974 4.813 -3.403 1.00 1.80 H ATOM 196 HA TYR A 11 -9.164 3.779 -0.791 1.00 1.63 H ATOM 197 HB2 TYR A 11 -11.551 4.136 0.104 1.00 2.09 H ATOM 198 HB3 TYR A 11 -10.695 5.620 -0.168 1.00 1.90 H ATOM 199 HD1 TYR A 11 -11.175 7.023 -2.134 1.00 3.02 H ATOM 200 HD2 TYR A 11 -13.471 3.562 -1.237 1.00 3.00 H ATOM 201 HE1 TYR A 11 -12.811 7.644 -3.928 1.00 3.39 H ATOM 202 HE2 TYR A 11 -15.109 4.197 -3.035 1.00 3.44 H ATOM 203 HH TYR A 11 -15.748 6.525 -4.304 1.00 3.18 H ATOM 204 N LYS A 12 -10.267 1.601 -1.620 1.00 1.80 N ATOM 205 CA LYS A 12 -10.676 0.332 -2.224 1.00 1.95 C ATOM 206 C LYS A 12 -10.960 -0.653 -1.098 1.00 1.94 C ATOM 207 O LYS A 12 -10.576 -0.524 0.061 1.00 1.90 O ATOM 208 CB LYS A 12 -9.561 -0.356 -3.101 1.00 2.00 C ATOM 209 CG LYS A 12 -9.643 -0.334 -4.636 1.00 2.28 C ATOM 210 CD LYS A 12 -9.822 0.997 -5.371 1.00 2.14 C ATOM 211 CE LYS A 12 -9.644 0.825 -6.901 1.00 2.36 C ATOM 212 NZ LYS A 12 -10.769 1.287 -7.708 1.00 2.87 N ATOM 213 H LYS A 12 -9.838 1.540 -0.720 1.00 1.72 H ATOM 214 HA LYS A 12 -11.616 0.484 -2.758 1.00 2.15 H ATOM 215 HB2 LYS A 12 -8.580 -0.008 -2.792 1.00 1.85 H ATOM 216 HB3 LYS A 12 -9.529 -1.436 -2.902 1.00 2.15 H ATOM 217 HG2 LYS A 12 -8.717 -0.790 -4.976 1.00 2.62 H ATOM 218 HG3 LYS A 12 -10.439 -0.996 -4.942 1.00 2.88 H ATOM 219 HD2 LYS A 12 -10.782 1.459 -5.144 1.00 2.59 H ATOM 220 HD3 LYS A 12 -9.074 1.663 -4.952 1.00 2.22 H ATOM 221 HE2 LYS A 12 -8.746 1.299 -7.283 1.00 2.58 H ATOM 222 HE3 LYS A 12 -9.521 -0.223 -7.139 1.00 2.69 H ATOM 223 HZ1 LYS A 12 -11.149 2.213 -7.410 1.00 2.91 H ATOM 224 HZ2 LYS A 12 -10.505 1.343 -8.713 1.00 3.28 H ATOM 225 HZ3 LYS A 12 -11.515 0.574 -7.591 1.00 3.36 H ATOM 226 N THR A 13 -11.572 -1.708 -1.648 1.00 2.04 N ATOM 227 CA THR A 13 -11.799 -2.939 -0.961 1.00 2.10 C ATOM 228 C THR A 13 -10.916 -3.992 -1.582 1.00 2.10 C ATOM 229 O THR A 13 -10.437 -3.870 -2.708 1.00 2.30 O ATOM 230 CB THR A 13 -13.303 -3.287 -0.911 1.00 2.27 C ATOM 231 OG1 THR A 13 -13.608 -4.205 -1.945 1.00 1.92 O ATOM 232 CG2 THR A 13 -14.205 -2.071 -1.165 1.00 3.03 C ATOM 233 H THR A 13 -11.671 -1.754 -2.635 1.00 2.10 H ATOM 234 HA THR A 13 -11.359 -2.828 0.000 1.00 2.09 H ATOM 235 HB THR A 13 -13.541 -3.690 0.076 1.00 2.65 H ATOM 236 HG1 THR A 13 -14.285 -4.838 -1.708 1.00 2.20 H ATOM 237 HG21 THR A 13 -13.980 -1.230 -0.514 1.00 3.57 H ATOM 238 HG22 THR A 13 -14.127 -1.731 -2.197 1.00 3.25 H ATOM 239 HG23 THR A 13 -15.253 -2.325 -1.014 1.00 3.40 H ATOM 240 N CYS A 14 -10.756 -4.996 -0.710 1.00 2.03 N ATOM 241 CA CYS A 14 -10.132 -6.235 -1.078 1.00 2.02 C ATOM 242 C CYS A 14 -11.252 -7.275 -1.067 1.00 2.28 C ATOM 243 O CYS A 14 -12.339 -7.032 -0.544 1.00 2.55 O ATOM 244 CB CYS A 14 -8.981 -6.525 -0.119 1.00 1.93 C ATOM 245 SG CYS A 14 -7.563 -5.592 -0.718 1.00 1.82 S ATOM 246 H CYS A 14 -11.327 -5.050 0.109 1.00 2.10 H ATOM 247 HA CYS A 14 -9.725 -6.117 -2.083 1.00 1.98 H ATOM 248 HB2 CYS A 14 -9.197 -6.204 0.901 1.00 2.01 H ATOM 249 HB3 CYS A 14 -8.729 -7.584 -0.072 1.00 2.02 H ATOM 250 N PRO A 15 -10.955 -8.409 -1.736 1.00 2.30 N ATOM 251 CA PRO A 15 -11.799 -9.588 -1.647 1.00 2.56 C ATOM 252 C PRO A 15 -11.460 -10.340 -0.319 1.00 2.52 C ATOM 253 O PRO A 15 -11.344 -9.712 0.728 1.00 2.72 O ATOM 254 CB PRO A 15 -11.456 -10.307 -2.965 1.00 2.67 C ATOM 255 CG PRO A 15 -10.015 -9.908 -3.303 1.00 2.46 C ATOM 256 CD PRO A 15 -9.814 -8.553 -2.635 1.00 2.20 C ATOM 257 HA PRO A 15 -12.856 -9.311 -1.646 1.00 2.83 H ATOM 258 HB2 PRO A 15 -11.633 -11.380 -2.970 1.00 2.74 H ATOM 259 HB3 PRO A 15 -12.097 -9.890 -3.748 1.00 2.94 H ATOM 260 HG2 PRO A 15 -9.302 -10.614 -2.879 1.00 2.40 H ATOM 261 HG3 PRO A 15 -9.853 -9.841 -4.381 1.00 2.68 H ATOM 262 HD2 PRO A 15 -8.874 -8.511 -2.083 1.00 2.03 H ATOM 263 HD3 PRO A 15 -9.813 -7.761 -3.385 1.00 2.27 H ATOM 264 N ALA A 16 -11.292 -11.685 -0.426 1.00 2.63 N ATOM 265 CA ALA A 16 -11.211 -12.559 0.751 1.00 2.76 C ATOM 266 C ALA A 16 -10.077 -13.597 0.578 1.00 2.61 C ATOM 267 O ALA A 16 -10.066 -14.644 1.204 1.00 2.83 O ATOM 268 CB ALA A 16 -12.580 -13.251 0.891 1.00 3.33 C ATOM 269 H ALA A 16 -11.391 -12.195 -1.277 1.00 2.86 H ATOM 270 HA ALA A 16 -11.013 -11.970 1.645 1.00 2.77 H ATOM 271 HB1 ALA A 16 -12.869 -13.751 -0.035 1.00 3.76 H ATOM 272 HB2 ALA A 16 -12.559 -14.013 1.665 1.00 3.66 H ATOM 273 HB3 ALA A 16 -13.359 -12.564 1.209 1.00 3.47 H ATOM 274 N GLY A 17 -9.165 -13.251 -0.354 1.00 2.43 N ATOM 275 CA GLY A 17 -7.994 -14.089 -0.631 1.00 2.46 C ATOM 276 C GLY A 17 -6.727 -13.390 -0.127 1.00 2.30 C ATOM 277 O GLY A 17 -5.611 -13.812 -0.386 1.00 2.40 O ATOM 278 H GLY A 17 -9.153 -12.323 -0.717 1.00 2.43 H ATOM 279 HA2 GLY A 17 -8.106 -15.081 -0.195 1.00 2.60 H ATOM 280 HA3 GLY A 17 -7.929 -14.194 -1.714 1.00 2.63 H ATOM 281 N LYS A 18 -6.983 -12.234 0.507 1.00 2.24 N ATOM 282 CA LYS A 18 -5.917 -11.431 1.068 1.00 2.22 C ATOM 283 C LYS A 18 -6.266 -10.978 2.473 1.00 2.40 C ATOM 284 O LYS A 18 -7.405 -10.759 2.888 1.00 2.85 O ATOM 285 CB LYS A 18 -5.567 -10.170 0.230 1.00 2.19 C ATOM 286 CG LYS A 18 -4.503 -10.468 -0.849 1.00 2.59 C ATOM 287 CD LYS A 18 -5.171 -10.883 -2.176 1.00 2.86 C ATOM 288 CE LYS A 18 -4.193 -11.427 -3.246 1.00 3.41 C ATOM 289 NZ LYS A 18 -4.624 -11.286 -4.659 1.00 3.89 N ATOM 290 H LYS A 18 -7.910 -12.008 0.778 1.00 2.34 H ATOM 291 HA LYS A 18 -5.036 -12.067 1.167 1.00 2.23 H ATOM 292 HB2 LYS A 18 -6.470 -9.714 -0.203 1.00 2.16 H ATOM 293 HB3 LYS A 18 -5.163 -9.401 0.899 1.00 2.29 H ATOM 294 HG2 LYS A 18 -3.809 -9.638 -0.983 1.00 3.01 H ATOM 295 HG3 LYS A 18 -3.856 -11.268 -0.474 1.00 2.94 H ATOM 296 HD2 LYS A 18 -5.915 -11.647 -1.953 1.00 2.94 H ATOM 297 HD3 LYS A 18 -5.733 -10.031 -2.554 1.00 3.28 H ATOM 298 HE2 LYS A 18 -3.250 -10.890 -3.153 1.00 3.55 H ATOM 299 HE3 LYS A 18 -3.952 -12.480 -3.058 1.00 3.89 H ATOM 300 HZ1 LYS A 18 -4.807 -10.298 -4.930 1.00 4.35 H ATOM 301 HZ2 LYS A 18 -3.852 -11.634 -5.272 1.00 4.06 H ATOM 302 HZ3 LYS A 18 -5.460 -11.872 -4.851 1.00 4.10 H ATOM 303 N ASN A 19 -5.120 -10.800 3.110 1.00 2.23 N ATOM 304 CA ASN A 19 -4.965 -10.468 4.497 1.00 2.44 C ATOM 305 C ASN A 19 -4.823 -8.925 4.543 1.00 2.22 C ATOM 306 O ASN A 19 -5.762 -8.268 4.897 1.00 2.47 O ATOM 307 CB ASN A 19 -3.883 -11.402 5.107 1.00 2.76 C ATOM 308 CG ASN A 19 -4.409 -12.869 5.209 1.00 3.12 C ATOM 309 OD1 ASN A 19 -5.453 -13.205 4.672 1.00 3.66 O ATOM 310 ND2 ASN A 19 -3.642 -13.734 5.911 1.00 3.25 N ATOM 311 H ASN A 19 -4.294 -10.922 2.543 1.00 2.13 H ATOM 312 HA ASN A 19 -5.908 -10.658 5.014 1.00 2.71 H ATOM 313 HB2 ASN A 19 -2.983 -11.435 4.486 1.00 2.78 H ATOM 314 HB3 ASN A 19 -3.594 -11.074 6.098 1.00 2.93 H ATOM 315 HD21 ASN A 19 -2.786 -13.482 6.392 1.00 3.26 H ATOM 316 HD22 ASN A 19 -3.887 -14.695 5.961 1.00 3.59 H ATOM 317 N LEU A 20 -3.655 -8.344 4.194 1.00 1.88 N ATOM 318 CA LEU A 20 -3.570 -6.925 4.562 1.00 1.77 C ATOM 319 C LEU A 20 -3.672 -6.016 3.278 1.00 1.64 C ATOM 320 O LEU A 20 -4.288 -6.400 2.324 1.00 1.64 O ATOM 321 CB LEU A 20 -2.536 -6.690 5.632 1.00 1.78 C ATOM 322 CG LEU A 20 -1.223 -7.520 5.837 1.00 1.87 C ATOM 323 CD1 LEU A 20 -0.304 -6.469 6.520 1.00 2.03 C ATOM 324 CD2 LEU A 20 -0.760 -9.110 5.937 1.00 2.42 C ATOM 325 H LEU A 20 -3.212 -8.640 3.339 1.00 1.83 H ATOM 326 HA LEU A 20 -4.419 -6.528 5.120 1.00 1.95 H ATOM 327 HB2 LEU A 20 -2.092 -5.876 5.118 1.00 2.14 H ATOM 328 HB3 LEU A 20 -2.837 -6.053 6.484 1.00 2.25 H ATOM 329 HG LEU A 20 -1.070 -7.521 4.833 1.00 2.38 H ATOM 330 HD11 LEU A 20 -0.615 -5.494 6.265 1.00 2.58 H ATOM 331 HD12 LEU A 20 -0.220 -6.313 7.594 1.00 2.14 H ATOM 332 HD13 LEU A 20 0.688 -6.576 5.983 1.00 2.40 H ATOM 333 HD21 LEU A 20 -0.855 -9.515 6.989 1.00 2.78 H ATOM 334 HD22 LEU A 20 0.190 -8.918 5.328 1.00 2.91 H ATOM 335 HD23 LEU A 20 0.223 -9.485 6.236 1.00 2.69 H ATOM 336 N CYS A 21 -3.118 -4.766 3.341 1.00 1.55 N ATOM 337 CA CYS A 21 -3.061 -3.812 2.209 1.00 1.43 C ATOM 338 C CYS A 21 -1.866 -2.999 2.576 1.00 1.35 C ATOM 339 O CYS A 21 -1.544 -2.802 3.731 1.00 1.48 O ATOM 340 CB CYS A 21 -4.309 -2.908 2.153 1.00 1.50 C ATOM 341 SG CYS A 21 -4.871 -2.114 0.626 1.00 1.50 S ATOM 342 H CYS A 21 -2.909 -4.423 4.241 1.00 1.57 H ATOM 343 HA CYS A 21 -2.872 -4.274 1.249 1.00 1.38 H ATOM 344 HB2 CYS A 21 -5.137 -3.550 2.437 1.00 1.54 H ATOM 345 HB3 CYS A 21 -4.233 -2.110 2.890 1.00 1.58 H ATOM 346 N TYR A 22 -1.197 -2.528 1.544 1.00 1.19 N ATOM 347 CA TYR A 22 0.011 -1.787 1.768 1.00 1.12 C ATOM 348 C TYR A 22 0.014 -0.778 0.673 1.00 0.99 C ATOM 349 O TYR A 22 -0.412 -1.029 -0.439 1.00 1.05 O ATOM 350 CB TYR A 22 1.267 -2.663 1.664 1.00 1.14 C ATOM 351 CG TYR A 22 1.546 -2.947 0.230 1.00 1.09 C ATOM 352 CD1 TYR A 22 0.630 -3.662 -0.519 1.00 1.61 C ATOM 353 CD2 TYR A 22 2.662 -2.403 -0.378 1.00 1.60 C ATOM 354 CE1 TYR A 22 0.787 -3.826 -1.876 1.00 1.65 C ATOM 355 CE2 TYR A 22 2.830 -2.573 -1.738 1.00 1.55 C ATOM 356 CZ TYR A 22 1.875 -3.257 -2.478 1.00 1.08 C ATOM 357 OH TYR A 22 1.975 -3.358 -3.839 1.00 1.13 O ATOM 358 H TYR A 22 -1.541 -2.791 0.642 1.00 1.16 H ATOM 359 HA TYR A 22 -0.053 -1.302 2.737 1.00 1.17 H ATOM 360 HB2 TYR A 22 2.136 -2.180 2.119 1.00 1.16 H ATOM 361 HB3 TYR A 22 1.130 -3.594 2.193 1.00 1.22 H ATOM 362 HD1 TYR A 22 -0.232 -4.073 -0.030 1.00 2.37 H ATOM 363 HD2 TYR A 22 3.358 -1.841 0.235 1.00 2.39 H ATOM 364 HE1 TYR A 22 0.084 -4.389 -2.473 1.00 2.45 H ATOM 365 HE2 TYR A 22 3.706 -2.187 -2.232 1.00 2.30 H ATOM 366 HH TYR A 22 2.318 -4.240 -3.985 1.00 1.54 H ATOM 367 N LYS A 23 0.505 0.371 1.048 1.00 0.86 N ATOM 368 CA LYS A 23 0.697 1.369 0.033 1.00 0.74 C ATOM 369 C LYS A 23 2.131 1.186 -0.459 1.00 0.64 C ATOM 370 O LYS A 23 3.056 1.225 0.344 1.00 0.63 O ATOM 371 CB LYS A 23 0.403 2.736 0.623 1.00 0.73 C ATOM 372 CG LYS A 23 -0.661 2.776 1.727 1.00 1.00 C ATOM 373 CD LYS A 23 -0.727 4.208 2.230 1.00 1.21 C ATOM 374 CE LYS A 23 -1.721 4.599 3.303 1.00 1.28 C ATOM 375 NZ LYS A 23 -1.332 5.901 3.850 1.00 1.76 N ATOM 376 H LYS A 23 0.952 0.386 1.943 1.00 0.90 H ATOM 377 HA LYS A 23 0.006 1.217 -0.772 1.00 0.75 H ATOM 378 HB2 LYS A 23 1.340 3.115 0.982 1.00 0.89 H ATOM 379 HB3 LYS A 23 0.090 3.415 -0.165 1.00 0.82 H ATOM 380 HG2 LYS A 23 -1.604 2.479 1.283 1.00 1.16 H ATOM 381 HG3 LYS A 23 -0.412 2.079 2.528 1.00 1.40 H ATOM 382 HD2 LYS A 23 0.264 4.480 2.579 1.00 1.85 H ATOM 383 HD3 LYS A 23 -0.960 4.809 1.355 1.00 1.71 H ATOM 384 HE2 LYS A 23 -2.717 4.711 2.862 1.00 1.70 H ATOM 385 HE3 LYS A 23 -1.813 3.864 4.108 1.00 1.68 H ATOM 386 HZ1 LYS A 23 -1.194 6.584 3.076 1.00 2.15 H ATOM 387 HZ2 LYS A 23 -2.067 6.246 4.482 1.00 2.04 H ATOM 388 HZ3 LYS A 23 -0.428 5.841 4.372 1.00 2.25 H ATOM 389 N MET A 24 2.253 0.964 -1.773 1.00 0.60 N ATOM 390 CA MET A 24 3.567 0.949 -2.383 1.00 0.53 C ATOM 391 C MET A 24 3.888 2.403 -2.774 1.00 0.40 C ATOM 392 O MET A 24 3.194 2.989 -3.608 1.00 0.43 O ATOM 393 CB MET A 24 3.526 0.087 -3.656 1.00 0.59 C ATOM 394 CG MET A 24 4.918 -0.316 -4.160 1.00 1.01 C ATOM 395 SD MET A 24 4.986 -0.171 -5.951 1.00 1.13 S ATOM 396 CE MET A 24 5.572 1.521 -6.055 1.00 0.88 C ATOM 397 H MET A 24 1.436 0.924 -2.347 1.00 0.65 H ATOM 398 HA MET A 24 4.278 0.541 -1.657 1.00 0.55 H ATOM 399 HB2 MET A 24 2.918 -0.802 -3.537 1.00 0.88 H ATOM 400 HB3 MET A 24 2.984 0.609 -4.443 1.00 0.72 H ATOM 401 HG2 MET A 24 5.700 0.300 -3.719 1.00 1.34 H ATOM 402 HG3 MET A 24 5.164 -1.343 -3.888 1.00 1.47 H ATOM 403 HE1 MET A 24 4.922 2.188 -5.499 1.00 1.42 H ATOM 404 HE2 MET A 24 6.573 1.591 -5.635 1.00 1.33 H ATOM 405 HE3 MET A 24 5.596 1.836 -7.093 1.00 1.22 H ATOM 406 N PHE A 25 4.944 2.936 -2.143 1.00 0.33 N ATOM 407 CA PHE A 25 5.471 4.268 -2.460 1.00 0.26 C ATOM 408 C PHE A 25 6.936 4.141 -2.890 1.00 0.29 C ATOM 409 O PHE A 25 7.384 3.024 -3.081 1.00 0.36 O ATOM 410 CB PHE A 25 5.262 5.225 -1.276 1.00 0.30 C ATOM 411 CG PHE A 25 3.846 5.269 -0.778 1.00 0.24 C ATOM 412 CD1 PHE A 25 2.805 5.637 -1.625 1.00 1.11 C ATOM 413 CD2 PHE A 25 3.574 4.979 0.552 1.00 1.35 C ATOM 414 CE1 PHE A 25 1.524 5.816 -1.148 1.00 1.13 C ATOM 415 CE2 PHE A 25 2.343 5.341 1.063 1.00 1.38 C ATOM 416 CZ PHE A 25 1.330 5.792 0.228 1.00 0.43 C ATOM 417 H PHE A 25 5.419 2.333 -1.508 1.00 0.40 H ATOM 418 HA PHE A 25 4.926 4.648 -3.312 1.00 0.25 H ATOM 419 HB2 PHE A 25 5.843 4.978 -0.408 1.00 0.45 H ATOM 420 HB3 PHE A 25 5.633 6.213 -1.554 1.00 0.39 H ATOM 421 HD1 PHE A 25 3.077 5.841 -2.644 1.00 2.04 H ATOM 422 HD2 PHE A 25 4.296 4.517 1.206 1.00 2.27 H ATOM 423 HE1 PHE A 25 0.696 6.016 -1.810 1.00 2.05 H ATOM 424 HE2 PHE A 25 2.196 5.245 2.135 1.00 2.31 H ATOM 425 HZ PHE A 25 0.410 6.118 0.672 1.00 0.54 H ATOM 426 N MET A 26 7.632 5.288 -3.023 1.00 0.26 N ATOM 427 CA MET A 26 8.997 5.375 -3.557 1.00 0.31 C ATOM 428 C MET A 26 9.779 6.393 -2.687 1.00 0.25 C ATOM 429 O MET A 26 9.159 7.158 -1.946 1.00 0.31 O ATOM 430 CB MET A 26 8.968 5.833 -5.040 1.00 0.41 C ATOM 431 CG MET A 26 8.432 4.760 -6.007 1.00 0.89 C ATOM 432 SD MET A 26 8.481 5.317 -7.728 1.00 1.18 S ATOM 433 CE MET A 26 9.769 4.164 -8.379 1.00 1.61 C ATOM 434 H MET A 26 7.290 6.151 -2.653 1.00 0.23 H ATOM 435 HA MET A 26 9.480 4.404 -3.448 1.00 0.45 H ATOM 436 HB2 MET A 26 8.370 6.742 -5.121 1.00 0.57 H ATOM 437 HB3 MET A 26 9.968 6.116 -5.377 1.00 0.51 H ATOM 438 HG2 MET A 26 9.019 3.837 -5.940 1.00 1.19 H ATOM 439 HG3 MET A 26 7.411 4.496 -5.731 1.00 1.26 H ATOM 440 HE1 MET A 26 10.703 4.183 -7.791 1.00 2.14 H ATOM 441 HE2 MET A 26 9.381 3.150 -8.314 1.00 1.75 H ATOM 442 HE3 MET A 26 9.984 4.353 -9.444 1.00 2.35 H ATOM 443 N VAL A 27 11.131 6.338 -2.812 1.00 0.35 N ATOM 444 CA VAL A 27 12.053 7.125 -1.974 1.00 0.40 C ATOM 445 C VAL A 27 12.877 8.153 -2.807 1.00 0.45 C ATOM 446 O VAL A 27 13.525 9.017 -2.245 1.00 1.10 O ATOM 447 CB VAL A 27 12.969 6.153 -1.184 1.00 0.70 C ATOM 448 CG1 VAL A 27 13.996 6.886 -0.304 1.00 0.81 C ATOM 449 CG2 VAL A 27 12.214 5.155 -0.290 1.00 1.07 C ATOM 450 H VAL A 27 11.507 5.629 -3.420 1.00 0.48 H ATOM 451 HA VAL A 27 11.469 7.718 -1.276 1.00 0.65 H ATOM 452 HB VAL A 27 13.519 5.552 -1.915 1.00 0.82 H ATOM 453 HG11 VAL A 27 13.569 7.792 0.125 1.00 1.20 H ATOM 454 HG12 VAL A 27 14.326 6.253 0.523 1.00 1.35 H ATOM 455 HG13 VAL A 27 14.878 7.170 -0.871 1.00 1.37 H ATOM 456 HG21 VAL A 27 11.257 4.827 -0.688 1.00 1.71 H ATOM 457 HG22 VAL A 27 12.816 4.267 -0.094 1.00 1.29 H ATOM 458 HG23 VAL A 27 12.077 5.616 0.679 1.00 1.60 H ATOM 459 N SER A 28 12.829 8.071 -4.151 1.00 0.71 N ATOM 460 CA SER A 28 13.686 8.925 -4.993 1.00 0.98 C ATOM 461 C SER A 28 12.901 10.163 -5.427 1.00 0.80 C ATOM 462 O SER A 28 13.365 10.980 -6.195 1.00 1.17 O ATOM 463 CB SER A 28 14.102 8.062 -6.200 1.00 1.51 C ATOM 464 OG SER A 28 14.200 6.725 -5.724 1.00 2.34 O ATOM 465 H SER A 28 12.216 7.488 -4.682 1.00 1.16 H ATOM 466 HA SER A 28 14.571 9.226 -4.423 1.00 1.41 H ATOM 467 HB2 SER A 28 13.366 8.098 -7.006 1.00 1.86 H ATOM 468 HB3 SER A 28 15.039 8.387 -6.664 1.00 1.80 H ATOM 469 HG SER A 28 14.892 6.698 -5.064 1.00 2.63 H ATOM 470 N ASN A 29 11.635 10.195 -4.974 1.00 0.80 N ATOM 471 CA ASN A 29 10.660 11.030 -5.678 1.00 1.38 C ATOM 472 C ASN A 29 10.191 12.103 -4.693 1.00 0.79 C ATOM 473 O ASN A 29 10.682 12.218 -3.585 1.00 1.14 O ATOM 474 CB ASN A 29 9.568 10.140 -6.338 1.00 2.33 C ATOM 475 CG ASN A 29 9.198 10.627 -7.759 1.00 3.28 C ATOM 476 OD1 ASN A 29 8.076 11.038 -8.011 1.00 3.79 O ATOM 477 ND2 ASN A 29 10.195 10.549 -8.644 1.00 3.94 N ATOM 478 H ASN A 29 11.405 9.857 -4.063 1.00 0.78 H ATOM 479 HA ASN A 29 11.181 11.579 -6.463 1.00 1.99 H ATOM 480 HB2 ASN A 29 9.925 9.112 -6.425 1.00 2.59 H ATOM 481 HB3 ASN A 29 8.644 10.101 -5.762 1.00 2.36 H ATOM 482 HD21 ASN A 29 11.079 10.144 -8.420 1.00 4.01 H ATOM 483 HD22 ASN A 29 10.050 10.958 -9.554 1.00 4.60 H ATOM 484 N LEU A 30 9.234 12.859 -5.215 1.00 1.00 N ATOM 485 CA LEU A 30 8.874 14.244 -4.907 1.00 1.03 C ATOM 486 C LEU A 30 7.601 14.294 -4.045 1.00 0.57 C ATOM 487 O LEU A 30 7.110 15.297 -3.555 1.00 1.03 O ATOM 488 CB LEU A 30 8.462 14.717 -6.304 1.00 1.95 C ATOM 489 CG LEU A 30 9.566 14.768 -7.376 1.00 2.91 C ATOM 490 CD1 LEU A 30 8.852 14.799 -8.768 1.00 3.79 C ATOM 491 CD2 LEU A 30 10.606 15.847 -6.999 1.00 3.52 C ATOM 492 H LEU A 30 8.641 12.419 -5.889 1.00 1.64 H ATOM 493 HA LEU A 30 9.706 14.789 -4.452 1.00 1.49 H ATOM 494 HB2 LEU A 30 7.722 13.970 -6.592 1.00 2.05 H ATOM 495 HB3 LEU A 30 7.919 15.669 -6.298 1.00 2.30 H ATOM 496 HG LEU A 30 10.209 13.883 -7.302 1.00 2.97 H ATOM 497 HD11 LEU A 30 7.752 14.676 -8.557 1.00 3.96 H ATOM 498 HD12 LEU A 30 9.130 15.641 -9.407 1.00 4.15 H ATOM 499 HD13 LEU A 30 9.322 14.090 -9.449 1.00 4.31 H ATOM 500 HD21 LEU A 30 10.182 16.820 -6.694 1.00 3.92 H ATOM 501 HD22 LEU A 30 11.031 15.414 -6.095 1.00 3.71 H ATOM 502 HD23 LEU A 30 11.450 15.937 -7.711 1.00 3.87 H ATOM 503 N THR A 31 7.067 13.078 -4.065 1.00 0.53 N ATOM 504 CA THR A 31 5.891 12.676 -3.402 1.00 1.18 C ATOM 505 C THR A 31 6.482 11.699 -2.380 1.00 1.19 C ATOM 506 O THR A 31 7.623 11.757 -1.964 1.00 2.20 O ATOM 507 CB THR A 31 4.949 12.106 -4.520 1.00 1.81 C ATOM 508 OG1 THR A 31 5.657 11.427 -5.542 1.00 2.18 O ATOM 509 CG2 THR A 31 4.076 13.213 -5.104 1.00 2.68 C ATOM 510 H THR A 31 7.652 12.292 -4.207 1.00 0.69 H ATOM 511 HA THR A 31 5.447 13.528 -2.873 1.00 1.56 H ATOM 512 HB THR A 31 4.232 11.372 -4.175 1.00 2.06 H ATOM 513 HG1 THR A 31 6.065 12.068 -6.125 1.00 2.41 H ATOM 514 HG21 THR A 31 4.639 14.148 -5.158 1.00 3.19 H ATOM 515 HG22 THR A 31 3.754 13.003 -6.124 1.00 3.20 H ATOM 516 HG23 THR A 31 3.227 13.400 -4.443 1.00 2.86 H ATOM 517 N VAL A 32 5.573 10.849 -2.033 1.00 0.26 N ATOM 518 CA VAL A 32 5.490 10.056 -0.847 1.00 0.34 C ATOM 519 C VAL A 32 4.271 9.237 -1.274 1.00 0.43 C ATOM 520 O VAL A 32 4.370 8.015 -1.298 1.00 0.59 O ATOM 521 CB VAL A 32 5.350 10.859 0.493 1.00 0.33 C ATOM 522 CG1 VAL A 32 4.778 9.986 1.641 1.00 0.66 C ATOM 523 CG2 VAL A 32 6.642 11.634 0.920 1.00 0.88 C ATOM 524 H VAL A 32 4.875 10.751 -2.732 1.00 0.79 H ATOM 525 HA VAL A 32 6.370 9.417 -0.821 1.00 0.45 H ATOM 526 HB VAL A 32 4.618 11.649 0.331 1.00 0.67 H ATOM 527 HG11 VAL A 32 3.971 9.344 1.297 1.00 1.17 H ATOM 528 HG12 VAL A 32 5.515 9.348 2.124 1.00 1.35 H ATOM 529 HG13 VAL A 32 4.347 10.641 2.398 1.00 1.35 H ATOM 530 HG21 VAL A 32 7.563 11.096 0.680 1.00 1.68 H ATOM 531 HG22 VAL A 32 6.722 12.596 0.408 1.00 1.29 H ATOM 532 HG23 VAL A 32 6.687 11.867 1.986 1.00 1.22 H ATOM 533 N PRO A 33 3.127 9.865 -1.713 1.00 0.38 N ATOM 534 CA PRO A 33 2.060 9.050 -2.298 1.00 0.50 C ATOM 535 C PRO A 33 2.357 8.619 -3.764 1.00 0.45 C ATOM 536 O PRO A 33 2.971 9.347 -4.525 1.00 0.53 O ATOM 537 CB PRO A 33 0.806 9.895 -2.109 1.00 0.57 C ATOM 538 CG PRO A 33 1.292 11.338 -2.211 1.00 0.48 C ATOM 539 CD PRO A 33 2.762 11.314 -1.733 1.00 0.33 C ATOM 540 HA PRO A 33 1.937 8.146 -1.718 1.00 0.64 H ATOM 541 HB2 PRO A 33 0.001 9.632 -2.795 1.00 0.59 H ATOM 542 HB3 PRO A 33 0.452 9.737 -1.088 1.00 0.70 H ATOM 543 HG2 PRO A 33 1.224 11.647 -3.258 1.00 0.45 H ATOM 544 HG3 PRO A 33 0.676 12.028 -1.635 1.00 0.60 H ATOM 545 HD2 PRO A 33 3.354 11.894 -2.432 1.00 0.26 H ATOM 546 HD3 PRO A 33 2.888 11.815 -0.776 1.00 0.39 H ATOM 547 N VAL A 34 1.931 7.359 -4.029 1.00 0.39 N ATOM 548 CA VAL A 34 2.171 6.596 -5.260 1.00 0.41 C ATOM 549 C VAL A 34 1.034 5.565 -5.402 1.00 0.47 C ATOM 550 O VAL A 34 0.200 5.756 -6.261 1.00 0.52 O ATOM 551 CB VAL A 34 3.540 5.871 -5.376 1.00 0.44 C ATOM 552 CG1 VAL A 34 3.717 5.186 -6.755 1.00 0.46 C ATOM 553 CG2 VAL A 34 4.779 6.728 -5.049 1.00 0.55 C ATOM 554 H VAL A 34 1.355 6.921 -3.341 1.00 0.40 H ATOM 555 HA VAL A 34 2.088 7.305 -6.082 1.00 0.43 H ATOM 556 HB VAL A 34 3.508 5.068 -4.646 1.00 0.43 H ATOM 557 HG11 VAL A 34 2.882 5.379 -7.425 1.00 1.04 H ATOM 558 HG12 VAL A 34 4.610 5.534 -7.280 1.00 1.20 H ATOM 559 HG13 VAL A 34 3.815 4.107 -6.658 1.00 1.07 H ATOM 560 HG21 VAL A 34 4.706 7.201 -4.073 1.00 1.17 H ATOM 561 HG22 VAL A 34 5.669 6.094 -5.037 1.00 1.12 H ATOM 562 HG23 VAL A 34 4.942 7.502 -5.801 1.00 1.20 H ATOM 563 N LYS A 35 0.966 4.500 -4.548 1.00 0.51 N ATOM 564 CA LYS A 35 -0.124 3.510 -4.709 1.00 0.60 C ATOM 565 C LYS A 35 -0.429 2.763 -3.412 1.00 0.63 C ATOM 566 O LYS A 35 0.135 3.063 -2.372 1.00 0.60 O ATOM 567 CB LYS A 35 0.297 2.466 -5.766 1.00 0.67 C ATOM 568 CG LYS A 35 -0.043 2.852 -7.218 1.00 1.43 C ATOM 569 CD LYS A 35 1.007 2.365 -8.230 1.00 1.74 C ATOM 570 CE LYS A 35 0.366 2.057 -9.608 1.00 2.25 C ATOM 571 NZ LYS A 35 1.254 1.359 -10.555 1.00 2.71 N ATOM 572 H LYS A 35 1.669 4.295 -3.863 1.00 0.51 H ATOM 573 HA LYS A 35 -1.028 4.051 -4.987 1.00 0.63 H ATOM 574 HB2 LYS A 35 1.357 2.242 -5.625 1.00 1.24 H ATOM 575 HB3 LYS A 35 -0.182 1.494 -5.635 1.00 1.24 H ATOM 576 HG2 LYS A 35 -1.030 2.436 -7.471 1.00 1.96 H ATOM 577 HG3 LYS A 35 -0.172 3.918 -7.349 1.00 2.13 H ATOM 578 HD2 LYS A 35 1.797 3.116 -8.297 1.00 2.26 H ATOM 579 HD3 LYS A 35 1.500 1.467 -7.868 1.00 1.84 H ATOM 580 HE2 LYS A 35 -0.510 1.417 -9.479 1.00 2.58 H ATOM 581 HE3 LYS A 35 -0.016 2.968 -10.096 1.00 2.67 H ATOM 582 HZ1 LYS A 35 2.187 1.170 -10.142 1.00 3.06 H ATOM 583 HZ2 LYS A 35 0.833 0.451 -10.822 1.00 2.84 H ATOM 584 HZ3 LYS A 35 1.378 1.935 -11.420 1.00 3.22 H ATOM 585 N ARG A 36 -1.313 1.743 -3.575 1.00 0.75 N ATOM 586 CA ARG A 36 -1.558 0.642 -2.646 1.00 0.83 C ATOM 587 C ARG A 36 -2.154 -0.524 -3.454 1.00 0.96 C ATOM 588 O ARG A 36 -2.528 -0.349 -4.613 1.00 1.03 O ATOM 589 CB ARG A 36 -2.460 1.210 -1.530 1.00 0.87 C ATOM 590 CG ARG A 36 -3.117 0.257 -0.521 1.00 1.23 C ATOM 591 CD ARG A 36 -3.736 0.959 0.691 1.00 1.23 C ATOM 592 NE ARG A 36 -3.086 0.503 1.934 1.00 1.77 N ATOM 593 CZ ARG A 36 -3.245 1.215 3.088 1.00 1.82 C ATOM 594 NH1 ARG A 36 -4.219 2.098 3.147 1.00 2.30 N ATOM 595 NH2 ARG A 36 -2.404 0.932 4.070 1.00 2.10 N ATOM 596 H ARG A 36 -1.807 1.634 -4.438 1.00 0.79 H ATOM 597 HA ARG A 36 -0.584 0.279 -2.335 1.00 0.80 H ATOM 598 HB2 ARG A 36 -1.925 2.000 -1.008 1.00 0.97 H ATOM 599 HB3 ARG A 36 -3.234 1.701 -2.091 1.00 0.99 H ATOM 600 HG2 ARG A 36 -3.854 -0.367 -1.023 1.00 1.52 H ATOM 601 HG3 ARG A 36 -2.428 -0.446 -0.114 1.00 1.60 H ATOM 602 HD2 ARG A 36 -3.693 2.047 0.646 1.00 1.44 H ATOM 603 HD3 ARG A 36 -4.766 0.675 0.804 1.00 1.52 H ATOM 604 HE ARG A 36 -2.604 -0.366 1.978 1.00 2.37 H ATOM 605 HH11 ARG A 36 -4.773 2.101 2.297 1.00 2.82 H ATOM 606 HH12 ARG A 36 -4.458 2.671 3.945 1.00 2.47 H ATOM 607 HH21 ARG A 36 -1.638 0.334 3.911 1.00 2.57 H ATOM 608 HH22 ARG A 36 -2.497 1.315 5.025 1.00 2.22 H ATOM 609 N GLY A 37 -2.160 -1.682 -2.782 1.00 1.03 N ATOM 610 CA GLY A 37 -2.890 -2.882 -3.157 1.00 1.15 C ATOM 611 C GLY A 37 -3.136 -3.591 -1.834 1.00 1.23 C ATOM 612 O GLY A 37 -2.894 -2.978 -0.803 1.00 1.21 O ATOM 613 H GLY A 37 -1.682 -1.749 -1.900 1.00 1.01 H ATOM 614 HA2 GLY A 37 -3.833 -2.605 -3.632 1.00 1.22 H ATOM 615 HA3 GLY A 37 -2.272 -3.487 -3.822 1.00 1.15 H ATOM 616 N CYS A 38 -3.585 -4.842 -1.937 1.00 1.32 N ATOM 617 CA CYS A 38 -3.717 -5.782 -0.822 1.00 1.41 C ATOM 618 C CYS A 38 -2.350 -6.466 -0.607 1.00 1.38 C ATOM 619 O CYS A 38 -1.404 -6.118 -1.318 1.00 1.30 O ATOM 620 CB CYS A 38 -4.828 -6.775 -1.174 1.00 1.53 C ATOM 621 SG CYS A 38 -6.108 -6.723 0.095 1.00 1.89 S ATOM 622 H CYS A 38 -3.741 -5.205 -2.849 1.00 1.35 H ATOM 623 HA CYS A 38 -4.041 -5.239 0.058 1.00 1.44 H ATOM 624 HB2 CYS A 38 -5.274 -6.503 -2.133 1.00 1.48 H ATOM 625 HB3 CYS A 38 -4.455 -7.786 -1.279 1.00 1.71 H ATOM 626 N ILE A 39 -2.301 -7.430 0.342 1.00 1.46 N ATOM 627 CA ILE A 39 -1.119 -8.243 0.679 1.00 1.46 C ATOM 628 C ILE A 39 -1.623 -9.583 1.283 1.00 1.61 C ATOM 629 O ILE A 39 -2.777 -9.687 1.715 1.00 1.72 O ATOM 630 CB ILE A 39 -0.192 -7.459 1.656 1.00 1.39 C ATOM 631 CG1 ILE A 39 0.856 -6.669 0.871 1.00 1.27 C ATOM 632 CG2 ILE A 39 0.556 -8.320 2.679 1.00 1.44 C ATOM 633 CD1 ILE A 39 1.914 -5.998 1.762 1.00 1.23 C ATOM 634 H ILE A 39 -3.126 -7.633 0.882 1.00 1.55 H ATOM 635 HA ILE A 39 -0.599 -8.488 -0.255 1.00 1.42 H ATOM 636 HB ILE A 39 -0.818 -6.778 2.232 1.00 1.42 H ATOM 637 HG12 ILE A 39 1.371 -7.300 0.154 1.00 1.26 H ATOM 638 HG13 ILE A 39 0.322 -5.959 0.284 1.00 1.27 H ATOM 639 HG21 ILE A 39 -0.076 -9.029 3.210 1.00 1.58 H ATOM 640 HG22 ILE A 39 1.338 -8.859 2.148 1.00 1.85 H ATOM 641 HG23 ILE A 39 1.019 -7.705 3.444 1.00 1.87 H ATOM 642 HD11 ILE A 39 1.444 -5.500 2.609 1.00 1.31 H ATOM 643 HD12 ILE A 39 2.606 -6.728 2.185 1.00 1.81 H ATOM 644 HD13 ILE A 39 2.530 -5.282 1.211 1.00 1.54 H ATOM 645 N ASP A 40 -0.666 -10.539 1.327 1.00 1.63 N ATOM 646 CA ASP A 40 -0.770 -11.840 2.007 1.00 1.79 C ATOM 647 C ASP A 40 0.248 -11.976 3.200 1.00 1.80 C ATOM 648 O ASP A 40 0.016 -12.649 4.198 1.00 1.93 O ATOM 649 CB ASP A 40 -0.511 -12.925 0.931 1.00 1.90 C ATOM 650 CG ASP A 40 -1.358 -14.191 1.090 1.00 2.21 C ATOM 651 OD1 ASP A 40 -2.066 -14.323 2.085 1.00 2.49 O ATOM 652 OD2 ASP A 40 -1.310 -15.044 0.200 1.00 2.71 O ATOM 653 H ASP A 40 0.210 -10.287 0.926 1.00 1.56 H ATOM 654 HA ASP A 40 -1.778 -11.909 2.416 1.00 1.87 H ATOM 655 HB2 ASP A 40 -0.733 -12.542 -0.062 1.00 2.08 H ATOM 656 HB3 ASP A 40 0.528 -13.248 0.914 1.00 1.87 H ATOM 657 N VAL A 41 1.426 -11.328 3.018 1.00 1.70 N ATOM 658 CA VAL A 41 2.444 -11.240 4.075 1.00 1.74 C ATOM 659 C VAL A 41 3.123 -9.866 3.953 1.00 1.66 C ATOM 660 O VAL A 41 3.450 -9.433 2.853 1.00 1.63 O ATOM 661 CB VAL A 41 3.541 -12.342 3.950 1.00 1.80 C ATOM 662 CG1 VAL A 41 3.354 -13.435 4.990 1.00 2.02 C ATOM 663 CG2 VAL A 41 3.712 -12.871 2.528 1.00 2.52 C ATOM 664 H VAL A 41 1.566 -10.803 2.184 1.00 1.63 H ATOM 665 HA VAL A 41 1.936 -11.312 5.040 1.00 1.80 H ATOM 666 HB VAL A 41 4.519 -11.898 4.172 1.00 2.13 H ATOM 667 HG11 VAL A 41 2.362 -13.802 4.770 1.00 2.30 H ATOM 668 HG12 VAL A 41 3.349 -14.481 4.719 1.00 2.22 H ATOM 669 HG13 VAL A 41 4.335 -13.850 5.208 1.00 2.70 H ATOM 670 HG21 VAL A 41 3.698 -12.042 1.828 1.00 2.87 H ATOM 671 HG22 VAL A 41 4.666 -13.408 2.427 1.00 3.09 H ATOM 672 HG23 VAL A 41 2.892 -13.503 2.197 1.00 2.86 H ATOM 673 N CYS A 42 3.365 -9.247 5.118 1.00 1.64 N ATOM 674 CA CYS A 42 4.287 -8.110 5.177 1.00 1.58 C ATOM 675 C CYS A 42 5.591 -8.623 5.822 1.00 1.55 C ATOM 676 O CYS A 42 5.658 -8.854 7.024 1.00 1.56 O ATOM 677 CB CYS A 42 3.648 -6.912 5.912 1.00 1.60 C ATOM 678 SG CYS A 42 4.685 -5.420 5.915 1.00 1.56 S ATOM 679 H CYS A 42 3.025 -9.622 5.981 1.00 1.70 H ATOM 680 HA CYS A 42 4.494 -7.765 4.165 1.00 1.58 H ATOM 681 HB2 CYS A 42 2.720 -6.648 5.402 1.00 1.65 H ATOM 682 HB3 CYS A 42 3.361 -7.167 6.930 1.00 1.65 H ATOM 683 N PRO A 43 6.619 -8.867 4.955 1.00 1.56 N ATOM 684 CA PRO A 43 7.980 -9.026 5.425 1.00 1.57 C ATOM 685 C PRO A 43 8.506 -7.604 5.584 1.00 1.53 C ATOM 686 O PRO A 43 8.015 -6.809 6.376 1.00 1.79 O ATOM 687 CB PRO A 43 8.640 -9.858 4.310 1.00 1.64 C ATOM 688 CG PRO A 43 7.895 -9.465 3.031 1.00 1.66 C ATOM 689 CD PRO A 43 6.509 -9.006 3.502 1.00 1.61 C ATOM 690 HA PRO A 43 8.049 -9.518 6.394 1.00 1.59 H ATOM 691 HB2 PRO A 43 9.722 -9.770 4.238 1.00 1.66 H ATOM 692 HB3 PRO A 43 8.433 -10.905 4.521 1.00 1.68 H ATOM 693 HG2 PRO A 43 8.397 -8.639 2.526 1.00 1.68 H ATOM 694 HG3 PRO A 43 7.834 -10.291 2.324 1.00 1.72 H ATOM 695 HD2 PRO A 43 6.245 -8.058 3.031 1.00 1.61 H ATOM 696 HD3 PRO A 43 5.761 -9.757 3.265 1.00 1.63 H ATOM 697 N LYS A 44 9.535 -7.328 4.790 1.00 1.46 N ATOM 698 CA LYS A 44 10.176 -6.044 4.901 1.00 1.44 C ATOM 699 C LYS A 44 9.820 -5.230 3.670 1.00 1.37 C ATOM 700 O LYS A 44 8.926 -5.540 2.892 1.00 1.52 O ATOM 701 CB LYS A 44 11.696 -6.286 5.147 1.00 1.53 C ATOM 702 CG LYS A 44 11.935 -7.279 6.333 1.00 2.09 C ATOM 703 CD LYS A 44 13.094 -6.956 7.296 1.00 2.49 C ATOM 704 CE LYS A 44 14.079 -8.112 7.570 1.00 3.13 C ATOM 705 NZ LYS A 44 14.426 -8.281 9.007 1.00 3.58 N ATOM 706 H LYS A 44 9.789 -7.893 4.008 1.00 1.60 H ATOM 707 HA LYS A 44 9.773 -5.490 5.744 1.00 1.45 H ATOM 708 HB2 LYS A 44 12.167 -6.737 4.273 1.00 1.66 H ATOM 709 HB3 LYS A 44 12.187 -5.318 5.319 1.00 1.91 H ATOM 710 HG2 LYS A 44 11.031 -7.244 6.935 1.00 2.49 H ATOM 711 HG3 LYS A 44 11.981 -8.269 5.882 1.00 2.68 H ATOM 712 HD2 LYS A 44 13.607 -6.105 6.873 1.00 2.95 H ATOM 713 HD3 LYS A 44 12.678 -6.575 8.234 1.00 2.64 H ATOM 714 HE2 LYS A 44 13.626 -9.031 7.214 1.00 3.36 H ATOM 715 HE3 LYS A 44 15.014 -8.085 7.008 1.00 3.58 H ATOM 716 HZ1 LYS A 44 14.799 -7.384 9.421 1.00 3.94 H ATOM 717 HZ2 LYS A 44 13.557 -8.544 9.525 1.00 3.62 H ATOM 718 HZ3 LYS A 44 15.148 -9.031 9.128 1.00 3.94 H ATOM 719 N ASN A 45 10.597 -4.153 3.601 1.00 1.28 N ATOM 720 CA ASN A 45 10.467 -3.018 2.719 1.00 1.22 C ATOM 721 C ASN A 45 11.894 -2.863 2.229 1.00 1.31 C ATOM 722 O ASN A 45 12.829 -3.229 2.927 1.00 1.59 O ATOM 723 CB ASN A 45 10.005 -1.715 3.443 1.00 1.21 C ATOM 724 CG ASN A 45 9.738 -1.804 4.973 1.00 1.30 C ATOM 725 OD1 ASN A 45 9.324 -2.809 5.534 1.00 2.06 O ATOM 726 ND2 ASN A 45 9.985 -0.651 5.613 1.00 1.60 N ATOM 727 H ASN A 45 11.366 -4.158 4.242 1.00 1.33 H ATOM 728 HA ASN A 45 9.824 -3.298 1.877 1.00 1.18 H ATOM 729 HB2 ASN A 45 10.730 -0.915 3.272 1.00 1.53 H ATOM 730 HB3 ASN A 45 9.086 -1.346 2.997 1.00 1.56 H ATOM 731 HD21 ASN A 45 10.415 0.121 5.149 1.00 1.91 H ATOM 732 HD22 ASN A 45 9.738 -0.551 6.574 1.00 2.06 H ATOM 733 N SER A 46 11.983 -2.375 0.997 1.00 1.16 N ATOM 734 CA SER A 46 13.219 -2.181 0.263 1.00 1.27 C ATOM 735 C SER A 46 13.598 -0.713 0.483 1.00 1.15 C ATOM 736 O SER A 46 12.898 0.019 1.164 1.00 1.10 O ATOM 737 CB SER A 46 12.927 -2.567 -1.206 1.00 1.32 C ATOM 738 OG SER A 46 13.353 -3.910 -1.360 1.00 1.87 O ATOM 739 H SER A 46 11.189 -1.872 0.664 1.00 1.04 H ATOM 740 HA SER A 46 14.009 -2.810 0.682 1.00 1.48 H ATOM 741 HB2 SER A 46 11.850 -2.515 -1.399 1.00 1.58 H ATOM 742 HB3 SER A 46 13.423 -1.917 -1.934 1.00 1.59 H ATOM 743 HG SER A 46 13.322 -4.214 -2.270 1.00 2.16 H ATOM 744 N ALA A 47 14.726 -0.332 -0.141 1.00 1.17 N ATOM 745 CA ALA A 47 15.157 1.074 -0.198 1.00 1.14 C ATOM 746 C ALA A 47 14.762 1.733 -1.534 1.00 0.96 C ATOM 747 O ALA A 47 15.343 2.733 -1.938 1.00 1.04 O ATOM 748 CB ALA A 47 16.684 1.096 -0.051 1.00 1.35 C ATOM 749 H ALA A 47 15.323 -1.027 -0.545 1.00 1.26 H ATOM 750 HA ALA A 47 14.680 1.637 0.611 1.00 1.16 H ATOM 751 HB1 ALA A 47 17.145 0.381 -0.726 1.00 1.46 H ATOM 752 HB2 ALA A 47 17.085 2.077 -0.293 1.00 2.10 H ATOM 753 HB3 ALA A 47 16.994 0.861 0.960 1.00 1.54 H ATOM 754 N LEU A 48 13.784 1.088 -2.194 1.00 0.82 N ATOM 755 CA LEU A 48 13.330 1.551 -3.509 1.00 0.72 C ATOM 756 C LEU A 48 11.851 1.920 -3.428 1.00 0.62 C ATOM 757 O LEU A 48 11.378 2.901 -3.995 1.00 0.63 O ATOM 758 CB LEU A 48 13.531 0.468 -4.586 1.00 0.84 C ATOM 759 CG LEU A 48 15.015 0.278 -4.905 1.00 1.11 C ATOM 760 CD1 LEU A 48 15.250 -1.025 -5.688 1.00 1.32 C ATOM 761 CD2 LEU A 48 15.628 1.511 -5.591 1.00 1.54 C ATOM 762 H LEU A 48 13.321 0.333 -1.749 1.00 0.88 H ATOM 763 HA LEU A 48 13.845 2.472 -3.777 1.00 0.70 H ATOM 764 HB2 LEU A 48 13.117 -0.473 -4.230 1.00 1.25 H ATOM 765 HB3 LEU A 48 12.990 0.720 -5.497 1.00 1.02 H ATOM 766 HG LEU A 48 15.548 0.181 -3.954 1.00 1.52 H ATOM 767 HD11 LEU A 48 14.640 -1.843 -5.315 1.00 1.65 H ATOM 768 HD12 LEU A 48 15.025 -0.927 -6.753 1.00 1.78 H ATOM 769 HD13 LEU A 48 16.298 -1.330 -5.593 1.00 1.62 H ATOM 770 HD21 LEU A 48 15.097 1.820 -6.485 1.00 1.86 H ATOM 771 HD22 LEU A 48 15.596 2.351 -4.909 1.00 1.98 H ATOM 772 HD23 LEU A 48 16.660 1.330 -5.875 1.00 2.09 H ATOM 773 N VAL A 49 11.146 1.067 -2.677 1.00 0.68 N ATOM 774 CA VAL A 49 9.732 1.198 -2.552 1.00 0.61 C ATOM 775 C VAL A 49 9.488 1.165 -1.033 1.00 0.60 C ATOM 776 O VAL A 49 10.124 0.427 -0.284 1.00 0.68 O ATOM 777 CB VAL A 49 9.038 0.083 -3.369 1.00 0.65 C ATOM 778 CG1 VAL A 49 9.466 0.050 -4.867 1.00 1.07 C ATOM 779 CG2 VAL A 49 9.310 -1.299 -2.764 1.00 1.16 C ATOM 780 H VAL A 49 11.553 0.447 -2.015 1.00 0.83 H ATOM 781 HA VAL A 49 9.452 2.177 -2.936 1.00 0.59 H ATOM 782 HB VAL A 49 7.963 0.280 -3.352 1.00 0.80 H ATOM 783 HG11 VAL A 49 9.514 1.049 -5.306 1.00 1.82 H ATOM 784 HG12 VAL A 49 10.403 -0.486 -5.026 1.00 1.40 H ATOM 785 HG13 VAL A 49 8.746 -0.504 -5.474 1.00 1.51 H ATOM 786 HG21 VAL A 49 9.102 -1.361 -1.699 1.00 1.46 H ATOM 787 HG22 VAL A 49 8.734 -2.074 -3.270 1.00 1.62 H ATOM 788 HG23 VAL A 49 10.369 -1.526 -2.904 1.00 1.62 H ATOM 789 N LYS A 50 8.535 2.027 -0.640 1.00 0.55 N ATOM 790 CA LYS A 50 7.997 2.118 0.721 1.00 0.59 C ATOM 791 C LYS A 50 6.813 1.126 0.699 1.00 0.61 C ATOM 792 O LYS A 50 5.758 1.422 0.149 1.00 0.55 O ATOM 793 CB LYS A 50 7.474 3.570 0.969 1.00 0.57 C ATOM 794 CG LYS A 50 8.374 4.876 1.246 1.00 1.20 C ATOM 795 CD LYS A 50 9.636 4.925 2.235 1.00 1.33 C ATOM 796 CE LYS A 50 9.755 6.028 3.332 1.00 1.63 C ATOM 797 NZ LYS A 50 8.723 7.039 3.147 1.00 2.21 N ATOM 798 H LYS A 50 8.045 2.399 -1.422 1.00 0.51 H ATOM 799 HA LYS A 50 8.752 1.842 1.468 1.00 0.68 H ATOM 800 HB2 LYS A 50 7.226 3.755 -0.059 1.00 0.80 H ATOM 801 HB3 LYS A 50 6.462 3.589 1.385 1.00 0.83 H ATOM 802 HG2 LYS A 50 8.784 5.132 0.269 1.00 1.91 H ATOM 803 HG3 LYS A 50 7.669 5.698 1.514 1.00 1.92 H ATOM 804 HD2 LYS A 50 10.091 3.954 2.506 1.00 1.83 H ATOM 805 HD3 LYS A 50 10.351 5.370 1.558 1.00 1.91 H ATOM 806 HE2 LYS A 50 9.794 5.700 4.378 1.00 1.93 H ATOM 807 HE3 LYS A 50 10.708 6.572 3.174 1.00 2.15 H ATOM 808 HZ1 LYS A 50 8.710 7.276 2.139 1.00 2.73 H ATOM 809 HZ2 LYS A 50 7.808 6.561 3.410 1.00 2.61 H ATOM 810 HZ3 LYS A 50 8.943 7.858 3.725 1.00 2.45 H ATOM 811 N TYR A 51 7.040 -0.041 1.310 1.00 0.74 N ATOM 812 CA TYR A 51 5.943 -0.923 1.684 1.00 0.81 C ATOM 813 C TYR A 51 5.444 -0.424 3.064 1.00 0.91 C ATOM 814 O TYR A 51 6.083 -0.672 4.077 1.00 1.03 O ATOM 815 CB TYR A 51 6.465 -2.386 1.712 1.00 0.93 C ATOM 816 CG TYR A 51 6.141 -3.131 0.442 1.00 0.91 C ATOM 817 CD1 TYR A 51 6.671 -2.675 -0.754 1.00 1.47 C ATOM 818 CD2 TYR A 51 5.332 -4.260 0.440 1.00 1.54 C ATOM 819 CE1 TYR A 51 6.418 -3.357 -1.940 1.00 1.53 C ATOM 820 CE2 TYR A 51 5.056 -4.935 -0.748 1.00 1.53 C ATOM 821 CZ TYR A 51 5.624 -4.500 -1.942 1.00 1.00 C ATOM 822 OH TYR A 51 5.408 -5.188 -3.135 1.00 1.08 O ATOM 823 H TYR A 51 7.986 -0.230 1.567 1.00 0.82 H ATOM 824 HA TYR A 51 5.128 -0.834 0.973 1.00 0.75 H ATOM 825 HB2 TYR A 51 7.554 -2.406 1.792 1.00 0.94 H ATOM 826 HB3 TYR A 51 6.135 -2.962 2.587 1.00 1.04 H ATOM 827 HD1 TYR A 51 7.296 -1.794 -0.724 1.00 2.25 H ATOM 828 HD2 TYR A 51 4.924 -4.636 1.369 1.00 2.35 H ATOM 829 HE1 TYR A 51 6.835 -3.030 -2.880 1.00 2.34 H ATOM 830 HE2 TYR A 51 4.385 -5.791 -0.727 1.00 2.32 H ATOM 831 HH TYR A 51 4.870 -5.964 -2.979 1.00 1.33 H ATOM 832 N VAL A 52 4.302 0.298 3.053 1.00 0.92 N ATOM 833 CA VAL A 52 3.572 0.609 4.288 1.00 1.05 C ATOM 834 C VAL A 52 2.321 -0.305 4.337 1.00 1.12 C ATOM 835 O VAL A 52 1.182 0.084 4.061 1.00 1.11 O ATOM 836 CB VAL A 52 3.141 2.085 4.323 1.00 1.05 C ATOM 837 CG1 VAL A 52 4.213 3.064 4.833 1.00 1.12 C ATOM 838 CG2 VAL A 52 2.611 2.521 2.967 1.00 1.04 C ATOM 839 H VAL A 52 3.888 0.543 2.175 1.00 0.87 H ATOM 840 HA VAL A 52 4.196 0.382 5.156 1.00 1.14 H ATOM 841 HB VAL A 52 2.308 2.178 5.018 1.00 1.40 H ATOM 842 HG11 VAL A 52 5.226 2.782 4.544 1.00 1.65 H ATOM 843 HG12 VAL A 52 4.033 4.066 4.439 1.00 1.46 H ATOM 844 HG13 VAL A 52 4.218 3.146 5.917 1.00 1.60 H ATOM 845 HG21 VAL A 52 2.028 1.734 2.516 1.00 1.23 H ATOM 846 HG22 VAL A 52 1.953 3.368 3.108 1.00 1.71 H ATOM 847 HG23 VAL A 52 3.404 2.771 2.261 1.00 1.44 H ATOM 848 N CYS A 53 2.628 -1.558 4.683 1.00 1.21 N ATOM 849 CA CYS A 53 1.603 -2.563 4.914 1.00 1.30 C ATOM 850 C CYS A 53 0.881 -2.128 6.183 1.00 1.44 C ATOM 851 O CYS A 53 1.373 -1.290 6.927 1.00 1.49 O ATOM 852 CB CYS A 53 2.314 -3.914 5.012 1.00 1.36 C ATOM 853 SG CYS A 53 3.377 -3.975 6.475 1.00 1.49 S ATOM 854 H CYS A 53 3.534 -1.790 5.040 1.00 1.23 H ATOM 855 HA CYS A 53 0.894 -2.561 4.096 1.00 1.25 H ATOM 856 HB2 CYS A 53 1.604 -4.741 5.015 1.00 1.43 H ATOM 857 HB3 CYS A 53 2.933 -4.064 4.125 1.00 1.35 H ATOM 858 N CYS A 54 -0.302 -2.669 6.389 1.00 1.51 N ATOM 859 CA CYS A 54 -0.966 -2.414 7.655 1.00 1.67 C ATOM 860 C CYS A 54 -2.137 -3.333 7.608 1.00 1.77 C ATOM 861 O CYS A 54 -2.503 -3.757 6.521 1.00 1.72 O ATOM 862 CB CYS A 54 -1.465 -0.967 7.811 1.00 1.67 C ATOM 863 SG CYS A 54 -2.504 -0.324 6.447 1.00 1.65 S ATOM 864 H CYS A 54 -0.752 -3.260 5.710 1.00 1.48 H ATOM 865 HA CYS A 54 -0.288 -2.709 8.464 1.00 1.74 H ATOM 866 HB2 CYS A 54 -2.026 -0.890 8.745 1.00 1.75 H ATOM 867 HB3 CYS A 54 -0.607 -0.305 7.939 1.00 1.66 H ATOM 868 N ASN A 55 -2.667 -3.613 8.818 1.00 1.92 N ATOM 869 CA ASN A 55 -3.817 -4.506 8.959 1.00 2.04 C ATOM 870 C ASN A 55 -5.014 -3.756 9.617 1.00 2.15 C ATOM 871 O ASN A 55 -5.991 -4.313 10.090 1.00 2.23 O ATOM 872 CB ASN A 55 -3.401 -5.864 9.574 1.00 2.15 C ATOM 873 CG ASN A 55 -4.044 -6.097 10.929 1.00 2.23 C ATOM 874 OD1 ASN A 55 -3.633 -5.518 11.925 1.00 2.33 O ATOM 875 ND2 ASN A 55 -5.119 -6.877 10.906 1.00 2.41 N ATOM 876 H ASN A 55 -2.181 -3.337 9.649 1.00 1.97 H ATOM 877 HA ASN A 55 -4.152 -4.719 7.955 1.00 1.98 H ATOM 878 HB2 ASN A 55 -3.657 -6.687 8.910 1.00 2.10 H ATOM 879 HB3 ASN A 55 -2.323 -5.943 9.692 1.00 2.44 H ATOM 880 HD21 ASN A 55 -5.440 -7.261 10.035 1.00 2.40 H ATOM 881 HD22 ASN A 55 -5.582 -7.031 11.771 1.00 2.66 H ATOM 882 N THR A 56 -4.931 -2.404 9.587 1.00 2.16 N ATOM 883 CA THR A 56 -6.018 -1.705 10.276 1.00 2.29 C ATOM 884 C THR A 56 -7.203 -1.550 9.295 1.00 2.33 C ATOM 885 O THR A 56 -7.193 -2.094 8.204 1.00 2.43 O ATOM 886 CB THR A 56 -5.492 -0.383 10.880 1.00 2.35 C ATOM 887 OG1 THR A 56 -5.010 0.576 9.934 1.00 2.37 O ATOM 888 CG2 THR A 56 -4.510 -0.689 12.029 1.00 2.42 C ATOM 889 H THR A 56 -4.225 -1.918 9.081 1.00 2.11 H ATOM 890 HA THR A 56 -6.350 -2.315 11.122 1.00 2.37 H ATOM 891 HB THR A 56 -6.337 0.092 11.373 1.00 2.61 H ATOM 892 HG1 THR A 56 -4.052 0.537 9.884 1.00 2.28 H ATOM 893 HG21 THR A 56 -5.000 -1.307 12.775 1.00 2.52 H ATOM 894 HG22 THR A 56 -3.643 -1.268 11.705 1.00 2.68 H ATOM 895 HG23 THR A 56 -4.142 0.192 12.550 1.00 2.83 H ATOM 896 N ASP A 57 -8.157 -0.668 9.678 1.00 2.40 N ATOM 897 CA ASP A 57 -9.274 -0.211 8.820 1.00 2.47 C ATOM 898 C ASP A 57 -8.926 0.038 7.346 1.00 2.42 C ATOM 899 O ASP A 57 -9.789 0.008 6.483 1.00 2.71 O ATOM 900 CB ASP A 57 -9.806 1.146 9.335 1.00 2.70 C ATOM 901 CG ASP A 57 -10.797 0.865 10.433 1.00 3.09 C ATOM 902 OD1 ASP A 57 -10.378 0.349 11.454 1.00 3.39 O ATOM 903 OD2 ASP A 57 -11.975 1.125 10.229 1.00 3.41 O ATOM 904 H ASP A 57 -8.213 -0.397 10.641 1.00 2.48 H ATOM 905 HA ASP A 57 -10.047 -0.986 8.839 1.00 2.53 H ATOM 906 HB2 ASP A 57 -9.000 1.793 9.688 1.00 2.69 H ATOM 907 HB3 ASP A 57 -10.326 1.694 8.542 1.00 2.76 H ATOM 908 N ARG A 58 -7.648 0.393 7.105 1.00 2.18 N ATOM 909 CA ARG A 58 -7.262 0.856 5.776 1.00 2.17 C ATOM 910 C ARG A 58 -6.532 -0.278 5.083 1.00 2.02 C ATOM 911 O ARG A 58 -5.802 -0.052 4.121 1.00 2.02 O ATOM 912 CB ARG A 58 -6.308 2.051 5.807 1.00 2.25 C ATOM 913 CG ARG A 58 -6.686 3.090 6.818 1.00 2.35 C ATOM 914 CD ARG A 58 -5.490 3.980 7.148 1.00 2.59 C ATOM 915 NE ARG A 58 -5.501 4.072 8.618 1.00 2.43 N ATOM 916 CZ ARG A 58 -4.755 4.890 9.377 1.00 2.67 C ATOM 917 NH1 ARG A 58 -4.162 5.971 8.922 1.00 3.08 N ATOM 918 NH2 ARG A 58 -4.656 4.644 10.698 1.00 3.04 N ATOM 919 H ARG A 58 -6.939 0.077 7.732 1.00 2.10 H ATOM 920 HA ARG A 58 -8.165 1.094 5.211 1.00 2.34 H ATOM 921 HB2 ARG A 58 -5.316 1.671 6.068 1.00 2.51 H ATOM 922 HB3 ARG A 58 -6.228 2.487 4.816 1.00 2.47 H ATOM 923 HG2 ARG A 58 -7.564 3.667 6.532 1.00 2.64 H ATOM 924 HG3 ARG A 58 -7.001 2.588 7.725 1.00 2.76 H ATOM 925 HD2 ARG A 58 -4.526 3.571 6.835 1.00 3.00 H ATOM 926 HD3 ARG A 58 -5.562 4.988 6.769 1.00 3.11 H ATOM 927 HE ARG A 58 -6.182 3.495 9.091 1.00 2.55 H ATOM 928 HH11 ARG A 58 -3.261 5.858 8.439 1.00 3.38 H ATOM 929 HH12 ARG A 58 -4.560 6.869 9.109 1.00 3.39 H ATOM 930 HH21 ARG A 58 -5.069 3.794 11.063 1.00 3.33 H ATOM 931 HH22 ARG A 58 -4.174 5.309 11.242 1.00 3.33 H ATOM 932 N CYS A 59 -6.777 -1.476 5.596 1.00 2.02 N ATOM 933 CA CYS A 59 -6.073 -2.644 5.178 1.00 1.99 C ATOM 934 C CYS A 59 -7.037 -3.853 5.367 1.00 2.09 C ATOM 935 O CYS A 59 -7.687 -4.201 4.389 1.00 2.34 O ATOM 936 CB CYS A 59 -4.710 -2.551 5.871 1.00 1.98 C ATOM 937 SG CYS A 59 -4.394 -0.986 6.823 1.00 1.82 S ATOM 938 H CYS A 59 -7.400 -1.614 6.364 1.00 2.12 H ATOM 939 HA CYS A 59 -5.955 -2.540 4.106 1.00 2.02 H ATOM 940 HB2 CYS A 59 -4.683 -3.380 6.557 1.00 2.21 H ATOM 941 HB3 CYS A 59 -3.931 -2.679 5.116 1.00 2.09 H ATOM 942 N ASN A 60 -7.211 -4.413 6.598 1.00 2.12 N ATOM 943 CA ASN A 60 -8.115 -5.592 6.720 1.00 2.23 C ATOM 944 C ASN A 60 -8.742 -5.746 8.120 1.00 2.61 C ATOM 945 O ASN A 60 -9.494 -6.733 8.289 1.00 3.01 O ATOM 946 CB ASN A 60 -7.378 -6.904 6.402 1.00 2.24 C ATOM 947 CG ASN A 60 -6.326 -7.242 7.462 1.00 2.62 C ATOM 948 OD1 ASN A 60 -5.716 -6.321 7.933 1.00 3.09 O ATOM 949 ND2 ASN A 60 -6.209 -8.502 7.908 1.00 3.23 N ATOM 950 OXT ASN A 60 -8.536 -4.848 8.969 1.00 3.06 O ATOM 951 H ASN A 60 -6.754 -4.153 7.462 1.00 2.23 H ATOM 952 HA ASN A 60 -8.923 -5.440 5.977 1.00 2.50 H ATOM 953 HB2 ASN A 60 -7.997 -7.786 6.219 1.00 2.56 H ATOM 954 HB3 ASN A 60 -6.921 -6.609 5.475 1.00 2.45 H ATOM 955 HD21 ASN A 60 -6.520 -8.860 7.014 1.00 3.39 H ATOM 956 HD22 ASN A 60 -6.332 -9.467 8.141 1.00 3.88 H TER 957 ASN A 60 CONECT 54 341 CONECT 245 621 CONECT 341 54 CONECT 621 245 CONECT 678 853 CONECT 853 678 CONECT 863 937 CONECT 937 863 MASTER 130 0 0 0 5 0 0 6 956 1 8 5 END