USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 hets) HEADER CYSTEINE PROTEASE INHIBITOR 07-DEC-95 1BI6 TITLE NMR STRUCTURE OF BROMELAIN INHIBITOR VI FROM PINEAPPLE STEM COMPND MOL_ID: 1; COMPND 2 MOLECULE: BROMELAIN INHIBITOR VI; COMPND 3 CHAIN: L; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: BROMELAIN INHIBITOR VI; COMPND 6 CHAIN: H SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANANAS COMOSUS; SOURCE 3 ORGANISM_COMMON: PINEAPPLE; SOURCE 4 ORGANISM_TAXID: 4615; SOURCE 5 TISSUE: STEM; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: ANANAS COMOSUS; SOURCE 8 ORGANISM_COMMON: PINEAPPLE; SOURCE 9 ORGANISM_TAXID: 4615; SOURCE 0 TISSUE: STEM KEYWDS CYSTEINE PROTEASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR K.-I.HATANO REVDAT 2 24-FEB-09 1BI6 1 VERSN REVDAT 1 03-APR-96 1BI6 0 JRNL AUTH K.HATANO,M.KOJIMA,M.TANOKURA,K.TAKAHASHI JRNL TITL SOLUTION STRUCTURE OF BROMELAIN INHIBITOR IV FROM JRNL TITL 2 PINEAPPLE STEM: STRUCTURAL SIMILARITY WITH JRNL TITL 3 BOWMAN-BIRK TRYPSIN/CHYMOTRYPSIN INHIBITOR FROM JRNL TITL 4 SOYBEAN. JRNL REF BIOCHEMISTRY V. 35 5379 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8611527 JRNL DOI 10.1021/BI952754+ REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.HATANO,M.KOJIMA,M.TANOKURA,K.TAKAHASHI REMARK 1 TITL PRIMARY STRUCTURE,SEQUENCE-SPECIFIC 1H ASSIGNMENTS REMARK 1 TITL 2 AND SECONDARY STRUCTURE IN SOLUTION OF BROMELAIN REMARK 1 TITL 3 INHIBITOR VI FROM PINEAPPLE STEM REMARK 1 REF EUR.J.BIOCHEM. V. 232 335 1995 REMARK 1 REFN ISSN 0014-2956 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 1BI6 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: 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 ALA L 2 -97.56 -98.46 REMARK 500 GLU L 5 67.65 -103.26 REMARK 500 CYS L 8 60.63 -166.02 REMARK 500 LEU L 10 67.93 172.86 REMARK 500 TYR H 3 -77.19 -36.83 REMARK 500 CYS H 5 162.31 -39.66 REMARK 500 ASP H 13 153.75 178.47 REMARK 500 PHE H 25 17.85 50.83 REMARK 500 LYS H 27 -167.79 -102.06 REMARK 500 SER H 35 79.09 -166.30 REMARK 500 ASN H 37 -161.23 178.64 REMARK 500 CYS H 39 -175.25 -176.85 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 L 11 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: B1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2BI6 RELATED DB: PDB DBREF 1BI6 L 1 11 UNP P27478 IBR2_ANACO 1 11 DBREF 1BI6 H 1 41 UNP P27478 IBR2_ANACO 12 52 SEQRES 1 L 11 THR ALA CYS SER GLU CYS VAL CYS PRO LEU ARG SEQRES 1 H 41 GLU GLU TYR LYS CYS TYR CYS THR ASP THR TYR SER ASP SEQRES 2 H 41 CYS PRO GLY PHE CYS LYS THR CYS LYS ALA GLU PHE GLY SEQRES 3 H 41 LYS TYR ILE CYS LEU ASP LEU ILE SER PRO ASN ASP CYS SEQRES 4 H 41 VAL LYS SHEET 1 B1 3 LYS H 22 GLU H 24 0 SHEET 2 B1 3 LYS H 27 ILE H 29 -1 O LYS H 22 N ILE H 29 SHEET 3 B1 3 ASP H 9 TYR H 11 1 N TYR H 11 O TYR H 28 SHEET 1 B2 3 ASP H 32 ILE H 34 0 SHEET 2 B2 3 CYS H 5 CYS H 7 -1 O CYS H 7 N ASP H 32 SHEET 3 B2 3 CYS L 6 CYS L 8 1 N VAL L 7 O TYR H 6 SSBOND *** CYS L 3 CYS H 7 1555 1555 2.02 SSBOND *** CYS L 6 CYS H 39 1555 1555 2.02 SSBOND *** CYS L 8 CYS H 5 1555 1555 2.02 SSBOND *** CYS H 14 CYS H 21 1555 1555 2.02 SSBOND *** CYS H 18 CYS H 30 1555 1555 2.02 SITE *** B1 2 LEU L 10 ARG L 11 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 : H 1 GLU N :NH3+ -125:sc= -0.0301 (180deg=-0.379) USER MOD Single : H 3 TYR OH : rot 180:sc= 0 USER MOD Single : H 4 LYS NZ :NH3+ 136:sc= 0.494 (180deg=2.05e-05) USER MOD Single : H 6 TYR OH : rot 73:sc= 1.06 USER MOD Single : H 8 THR OG1 : rot 150:sc= -3.32! USER MOD Single : H 10 THR OG1 : rot -170:sc= 0.00479 USER MOD Single : H 11 TYR OH : rot 157:sc= -4.03! USER MOD Single : H 12 SER OG : rot 180:sc= 0 USER MOD Single : H 19 LYS NZ :NH3+ -147:sc= -0.206 (180deg=-0.827) USER MOD Single : H 20 THR OG1 : rot 180:sc= 0 USER MOD Single : H 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : H 27 LYS NZ :NH3+ 167:sc= 0.0222 (180deg=0.00835) USER MOD Single : H 28 TYR OH : rot 180:sc= 0 USER MOD Single : H 35 SER OG : rot 150:sc= 1.39 USER MOD Single : H 37 ASN : amide:sc= -1.17 K(o=-1.2,f=0.26) USER MOD Single : H 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : L 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : L 1 THR OG1 : rot 180:sc= 0 USER MOD Single : L 4 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR L 1 0.388 6.069 10.139 1.00 0.00 N ATOM 2 CA THR L 1 -0.406 4.856 9.790 1.00 0.00 C ATOM 3 C THR L 1 -0.824 4.927 8.319 1.00 0.00 C ATOM 4 O THR L 1 -1.684 5.698 7.945 1.00 0.00 O ATOM 5 CB THR L 1 -1.654 4.793 10.673 1.00 0.00 C ATOM 6 OG1 THR L 1 -1.276 4.447 11.999 1.00 0.00 O ATOM 7 CG2 THR L 1 -2.619 3.741 10.124 1.00 0.00 C ATOM 0 H1 THR L 1 0.673 6.022 11.138 1.00 0.00 H new ATOM 0 H2 THR L 1 1.236 6.113 9.539 1.00 0.00 H new ATOM 0 H3 THR L 1 -0.190 6.919 9.983 1.00 0.00 H new ATOM 0 HA THR L 1 0.200 3.965 9.953 1.00 0.00 H new ATOM 0 HB THR L 1 -2.146 5.765 10.677 1.00 0.00 H new ATOM 0 HG1 THR L 1 -2.074 4.408 12.567 1.00 0.00 H new ATOM 0 HG21 THR L 1 -3.507 3.698 10.754 1.00 0.00 H new ATOM 0 HG22 THR L 1 -2.908 4.008 9.107 1.00 0.00 H new ATOM 0 HG23 THR L 1 -2.130 2.767 10.118 1.00 0.00 H new ATOM 17 N ALA L 2 -0.220 4.129 7.481 1.00 0.00 N ATOM 18 CA ALA L 2 -0.585 4.156 6.037 1.00 0.00 C ATOM 19 C ALA L 2 -1.563 3.015 5.734 1.00 0.00 C ATOM 20 O ALA L 2 -2.753 3.135 5.951 1.00 0.00 O ATOM 21 CB ALA L 2 0.677 3.995 5.187 1.00 0.00 C ATOM 0 H ALA L 2 0.509 3.461 7.733 1.00 0.00 H new ATOM 0 HA ALA L 2 -1.059 5.108 5.800 1.00 0.00 H new ATOM 0 HB1 ALA L 2 0.409 4.015 4.131 1.00 0.00 H new ATOM 0 HB2 ALA L 2 1.367 4.811 5.402 1.00 0.00 H new ATOM 0 HB3 ALA L 2 1.155 3.044 5.422 1.00 0.00 H new ATOM 27 N CYS L 3 -1.077 1.911 5.232 1.00 0.00 N ATOM 28 CA CYS L 3 -1.983 0.775 4.915 1.00 0.00 C ATOM 29 C CYS L 3 -1.457 -0.498 5.583 1.00 0.00 C ATOM 30 O CYS L 3 -0.328 -0.557 6.028 1.00 0.00 O ATOM 31 CB CYS L 3 -2.046 0.562 3.397 1.00 0.00 C ATOM 32 SG CYS L 3 -0.539 1.184 2.600 1.00 0.00 S ATOM 0 H CYS L 3 -0.091 1.749 5.029 1.00 0.00 H new ATOM 0 HA CYS L 3 -2.982 1.001 5.288 1.00 0.00 H new ATOM 0 HB2 CYS L 3 -2.168 -0.499 3.178 1.00 0.00 H new ATOM 0 HB3 CYS L 3 -2.917 1.074 2.989 1.00 0.00 H new ATOM 37 N SER L 4 -2.267 -1.519 5.655 1.00 0.00 N ATOM 38 CA SER L 4 -1.814 -2.788 6.292 1.00 0.00 C ATOM 39 C SER L 4 -1.157 -3.680 5.237 1.00 0.00 C ATOM 40 O SER L 4 -0.426 -4.598 5.553 1.00 0.00 O ATOM 41 CB SER L 4 -3.016 -3.514 6.896 1.00 0.00 C ATOM 42 OG SER L 4 -2.566 -4.418 7.897 1.00 0.00 O ATOM 0 H SER L 4 -3.223 -1.529 5.300 1.00 0.00 H new ATOM 0 HA SER L 4 -1.094 -2.563 7.079 1.00 0.00 H new ATOM 0 HB2 SER L 4 -3.711 -2.794 7.327 1.00 0.00 H new ATOM 0 HB3 SER L 4 -3.557 -4.054 6.119 1.00 0.00 H new ATOM 0 HG SER L 4 -3.335 -4.884 8.287 1.00 0.00 H new ATOM 48 N GLU L 5 -1.410 -3.416 3.983 1.00 0.00 N ATOM 49 CA GLU L 5 -0.799 -4.248 2.908 1.00 0.00 C ATOM 50 C GLU L 5 0.363 -3.483 2.271 1.00 0.00 C ATOM 51 O GLU L 5 0.303 -3.086 1.124 1.00 0.00 O ATOM 52 CB GLU L 5 -1.851 -4.561 1.842 1.00 0.00 C ATOM 53 CG GLU L 5 -1.890 -6.069 1.589 1.00 0.00 C ATOM 54 CD GLU L 5 -2.635 -6.348 0.283 1.00 0.00 C ATOM 55 OE1 GLU L 5 -2.029 -6.194 -0.765 1.00 0.00 O ATOM 56 OE2 GLU L 5 -3.798 -6.710 0.353 1.00 0.00 O ATOM 0 H GLU L 5 -2.013 -2.661 3.657 1.00 0.00 H new ATOM 0 HA GLU L 5 -0.430 -5.180 3.336 1.00 0.00 H new ATOM 0 HB2 GLU L 5 -2.830 -4.211 2.169 1.00 0.00 H new ATOM 0 HB3 GLU L 5 -1.616 -4.033 0.918 1.00 0.00 H new ATOM 0 HG2 GLU L 5 -0.876 -6.466 1.534 1.00 0.00 H new ATOM 0 HG3 GLU L 5 -2.385 -6.575 2.418 1.00 0.00 H new ATOM 63 N CYS L 6 1.419 -3.273 3.008 1.00 0.00 N ATOM 64 CA CYS L 6 2.585 -2.533 2.449 1.00 0.00 C ATOM 65 C CYS L 6 3.445 -3.486 1.616 1.00 0.00 C ATOM 66 O CYS L 6 3.812 -4.556 2.061 1.00 0.00 O ATOM 67 CB CYS L 6 3.422 -1.960 3.595 1.00 0.00 C ATOM 68 SG CYS L 6 3.798 -3.273 4.783 1.00 0.00 S ATOM 0 H CYS L 6 1.525 -3.582 3.974 1.00 0.00 H new ATOM 0 HA CYS L 6 2.229 -1.720 1.816 1.00 0.00 H new ATOM 0 HB2 CYS L 6 4.346 -1.532 3.206 1.00 0.00 H new ATOM 0 HB3 CYS L 6 2.879 -1.153 4.088 1.00 0.00 H new ATOM 73 N VAL L 7 3.772 -3.105 0.411 1.00 0.00 N ATOM 74 CA VAL L 7 4.610 -3.987 -0.448 1.00 0.00 C ATOM 75 C VAL L 7 6.078 -3.591 -0.289 1.00 0.00 C ATOM 76 O VAL L 7 6.461 -2.473 -0.571 1.00 0.00 O ATOM 77 CB VAL L 7 4.192 -3.822 -1.911 1.00 0.00 C ATOM 78 CG1 VAL L 7 4.953 -4.826 -2.778 1.00 0.00 C ATOM 79 CG2 VAL L 7 2.688 -4.074 -2.043 1.00 0.00 C ATOM 0 H VAL L 7 3.495 -2.221 -0.015 1.00 0.00 H new ATOM 0 HA VAL L 7 4.475 -5.027 -0.150 1.00 0.00 H new ATOM 0 HB VAL L 7 4.423 -2.809 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL L 7 4.654 -4.707 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL L 7 6.024 -4.648 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL L 7 4.723 -5.839 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL L 7 2.389 -3.957 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL L 7 2.458 -5.087 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL L 7 2.144 -3.358 -1.427 1.00 0.00 H new ATOM 89 N CYS L 8 6.905 -4.492 0.168 1.00 0.00 N ATOM 90 CA CYS L 8 8.343 -4.148 0.348 1.00 0.00 C ATOM 91 C CYS L 8 9.169 -5.422 0.553 1.00 0.00 C ATOM 92 O CYS L 8 9.804 -5.584 1.576 1.00 0.00 O ATOM 93 CB CYS L 8 8.489 -3.250 1.575 1.00 0.00 C ATOM 94 SG CYS L 8 9.263 -1.687 1.098 1.00 0.00 S ATOM 0 H CYS L 8 6.648 -5.446 0.423 1.00 0.00 H new ATOM 0 HA CYS L 8 8.703 -3.631 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS L 8 7.511 -3.062 2.019 1.00 0.00 H new ATOM 0 HB3 CYS L 8 9.092 -3.749 2.333 1.00 0.00 H new ATOM 99 N PRO L 9 9.143 -6.286 -0.427 1.00 0.00 N ATOM 100 CA PRO L 9 9.892 -7.552 -0.382 1.00 0.00 C ATOM 101 C PRO L 9 11.366 -7.314 -0.728 1.00 0.00 C ATOM 102 O PRO L 9 11.849 -7.748 -1.756 1.00 0.00 O ATOM 103 CB PRO L 9 9.215 -8.407 -1.456 1.00 0.00 C ATOM 104 CG PRO L 9 8.525 -7.418 -2.428 1.00 0.00 C ATOM 105 CD PRO L 9 8.362 -6.089 -1.665 1.00 0.00 C ATOM 0 HA PRO L 9 9.881 -8.021 0.602 1.00 0.00 H new ATOM 0 HB2 PRO L 9 9.946 -9.022 -1.981 1.00 0.00 H new ATOM 0 HB3 PRO L 9 8.488 -9.086 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO L 9 9.125 -7.277 -3.327 1.00 0.00 H new ATOM 0 HG3 PRO L 9 7.556 -7.802 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO L 9 8.740 -5.247 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO L 9 7.315 -5.881 -1.447 1.00 0.00 H new ATOM 113 N LEU L 10 12.082 -6.631 0.121 1.00 0.00 N ATOM 114 CA LEU L 10 13.522 -6.367 -0.157 1.00 0.00 C ATOM 115 C LEU L 10 14.071 -5.406 0.897 1.00 0.00 C ATOM 116 O LEU L 10 14.401 -4.273 0.606 1.00 0.00 O ATOM 117 CB LEU L 10 13.672 -5.741 -1.546 1.00 0.00 C ATOM 118 CG LEU L 10 14.847 -6.396 -2.274 1.00 0.00 C ATOM 119 CD1 LEU L 10 14.343 -7.088 -3.542 1.00 0.00 C ATOM 120 CD2 LEU L 10 15.874 -5.326 -2.651 1.00 0.00 C ATOM 0 H LEU L 10 11.732 -6.243 0.997 1.00 0.00 H new ATOM 0 HA LEU L 10 14.077 -7.305 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU L 10 12.754 -5.876 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU L 10 13.838 -4.667 -1.457 1.00 0.00 H new ATOM 0 HG LEU L 10 15.313 -7.133 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU L 10 15.181 -7.554 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU L 10 13.612 -7.851 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU L 10 13.876 -6.352 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU L 10 16.712 -5.792 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU L 10 15.408 -4.588 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU L 10 16.235 -4.834 -1.748 1.00 0.00 H new ATOM 132 N ARG L 11 14.169 -5.846 2.121 1.00 0.00 N ATOM 133 CA ARG L 11 14.691 -4.961 3.193 1.00 0.00 C ATOM 134 C ARG L 11 16.139 -4.574 2.881 1.00 0.00 C ATOM 135 O ARG L 11 16.477 -3.418 3.073 1.00 0.00 O ATOM 136 CB ARG L 11 14.635 -5.708 4.524 1.00 0.00 C ATOM 137 CG ARG L 11 15.476 -6.982 4.430 1.00 0.00 C ATOM 138 CD ARG L 11 16.571 -6.952 5.498 1.00 0.00 C ATOM 139 NE ARG L 11 17.344 -5.684 5.383 1.00 0.00 N ATOM 140 CZ ARG L 11 18.616 -5.668 5.674 1.00 0.00 C ATOM 141 NH1 ARG L 11 19.014 -5.977 6.879 1.00 0.00 N ATOM 142 NH2 ARG L 11 19.491 -5.348 4.761 1.00 0.00 N ATOM 143 OXT ARG L 11 16.885 -5.441 2.455 1.00 0.00 O ATOM 0 H ARG L 11 13.908 -6.785 2.423 1.00 0.00 H new ATOM 0 HA ARG L 11 14.085 -4.057 3.252 1.00 0.00 H new ATOM 0 HB2 ARG L 11 15.008 -5.072 5.326 1.00 0.00 H new ATOM 0 HB3 ARG L 11 13.603 -5.958 4.770 1.00 0.00 H new ATOM 0 HG2 ARG L 11 14.843 -7.859 4.568 1.00 0.00 H new ATOM 0 HG3 ARG L 11 15.922 -7.063 3.439 1.00 0.00 H new ATOM 0 HD2 ARG L 11 16.128 -7.031 6.491 1.00 0.00 H new ATOM 0 HD3 ARG L 11 17.235 -7.807 5.377 1.00 0.00 H new ATOM 0 HE ARG L 11 16.880 -4.829 5.077 1.00 0.00 H new ATOM 0 HH11 ARG L 11 18.331 -6.231 7.592 1.00 0.00 H new ATOM 0 HH12 ARG L 11 20.008 -5.965 7.107 1.00 0.00 H new ATOM 0 HH21 ARG L 11 19.181 -5.110 3.819 1.00 0.00 H new ATOM 0 HH22 ARG L 11 20.485 -5.336 4.989 1.00 0.00 H new TER 157 ARG L 11 ATOM 158 N GLU H 1 11.240 -0.434 5.128 1.00 0.00 N ATOM 159 CA GLU H 1 11.806 -1.758 4.743 1.00 0.00 C ATOM 160 C GLU H 1 12.869 -1.563 3.662 1.00 0.00 C ATOM 161 O GLU H 1 13.975 -2.053 3.768 1.00 0.00 O ATOM 162 CB GLU H 1 10.687 -2.653 4.204 1.00 0.00 C ATOM 163 CG GLU H 1 11.233 -4.058 3.929 1.00 0.00 C ATOM 164 CD GLU H 1 10.834 -4.991 5.073 1.00 0.00 C ATOM 165 OE1 GLU H 1 9.772 -4.785 5.637 1.00 0.00 O ATOM 166 OE2 GLU H 1 11.597 -5.897 5.366 1.00 0.00 O ATOM 0 H1 GLU H 1 11.332 -0.303 6.156 1.00 0.00 H new ATOM 0 H2 GLU H 1 11.757 0.321 4.635 1.00 0.00 H new ATOM 0 H3 GLU H 1 10.235 -0.396 4.863 1.00 0.00 H new ATOM 0 HA GLU H 1 12.259 -2.228 5.616 1.00 0.00 H new ATOM 0 HB2 GLU H 1 9.871 -2.705 4.925 1.00 0.00 H new ATOM 0 HB3 GLU H 1 10.277 -2.227 3.288 1.00 0.00 H new ATOM 0 HG2 GLU H 1 10.840 -4.434 2.984 1.00 0.00 H new ATOM 0 HG3 GLU H 1 12.318 -4.026 3.833 1.00 0.00 H new ATOM 175 N GLU H 2 12.542 -0.851 2.621 1.00 0.00 N ATOM 176 CA GLU H 2 13.533 -0.627 1.530 1.00 0.00 C ATOM 177 C GLU H 2 13.433 0.810 1.014 1.00 0.00 C ATOM 178 O GLU H 2 12.916 1.689 1.674 1.00 0.00 O ATOM 179 CB GLU H 2 13.262 -1.612 0.384 1.00 0.00 C ATOM 180 CG GLU H 2 12.101 -1.109 -0.480 1.00 0.00 C ATOM 181 CD GLU H 2 11.442 -2.293 -1.190 1.00 0.00 C ATOM 182 OE1 GLU H 2 11.920 -3.403 -1.016 1.00 0.00 O ATOM 183 OE2 GLU H 2 10.473 -2.071 -1.896 1.00 0.00 O ATOM 0 H GLU H 2 11.632 -0.414 2.477 1.00 0.00 H new ATOM 0 HA GLU H 2 14.538 -0.790 1.920 1.00 0.00 H new ATOM 0 HB2 GLU H 2 14.157 -1.726 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU H 2 13.025 -2.596 0.788 1.00 0.00 H new ATOM 0 HG2 GLU H 2 11.370 -0.591 0.141 1.00 0.00 H new ATOM 0 HG3 GLU H 2 12.465 -0.389 -1.213 1.00 0.00 H new ATOM 190 N TYR H 3 13.940 1.038 -0.164 1.00 0.00 N ATOM 191 CA TYR H 3 13.907 2.404 -0.768 1.00 0.00 C ATOM 192 C TYR H 3 12.592 3.115 -0.410 1.00 0.00 C ATOM 193 O TYR H 3 12.557 3.976 0.447 1.00 0.00 O ATOM 194 CB TYR H 3 14.049 2.269 -2.291 1.00 0.00 C ATOM 195 CG TYR H 3 13.394 3.435 -2.999 1.00 0.00 C ATOM 196 CD1 TYR H 3 13.693 4.747 -2.614 1.00 0.00 C ATOM 197 CD2 TYR H 3 12.489 3.200 -4.040 1.00 0.00 C ATOM 198 CE1 TYR H 3 13.086 5.824 -3.272 1.00 0.00 C ATOM 199 CE2 TYR H 3 11.882 4.275 -4.698 1.00 0.00 C ATOM 200 CZ TYR H 3 12.180 5.588 -4.314 1.00 0.00 C ATOM 201 OH TYR H 3 11.582 6.650 -4.963 1.00 0.00 O ATOM 0 H TYR H 3 14.383 0.326 -0.745 1.00 0.00 H new ATOM 0 HA TYR H 3 14.729 3.003 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR H 3 15.104 2.222 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR H 3 13.594 1.335 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR H 3 14.391 4.929 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR H 3 12.259 2.187 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR H 3 13.316 6.837 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR H 3 11.184 4.092 -5.502 1.00 0.00 H new ATOM 0 HH TYR H 3 10.982 6.312 -5.660 1.00 0.00 H new ATOM 211 N LYS H 4 11.516 2.769 -1.063 1.00 0.00 N ATOM 212 CA LYS H 4 10.218 3.433 -0.763 1.00 0.00 C ATOM 213 C LYS H 4 9.080 2.432 -0.962 1.00 0.00 C ATOM 214 O LYS H 4 8.535 2.298 -2.039 1.00 0.00 O ATOM 215 CB LYS H 4 10.023 4.628 -1.701 1.00 0.00 C ATOM 216 CG LYS H 4 10.211 5.928 -0.915 1.00 0.00 C ATOM 217 CD LYS H 4 9.577 7.091 -1.683 1.00 0.00 C ATOM 218 CE LYS H 4 8.258 7.486 -1.016 1.00 0.00 C ATOM 219 NZ LYS H 4 7.510 8.419 -1.905 1.00 0.00 N ATOM 0 H LYS H 4 11.481 2.055 -1.791 1.00 0.00 H new ATOM 0 HA LYS H 4 10.218 3.784 0.269 1.00 0.00 H new ATOM 0 HB2 LYS H 4 10.738 4.580 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS H 4 9.027 4.598 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS H 4 9.754 5.838 0.070 1.00 0.00 H new ATOM 0 HG3 LYS H 4 11.273 6.119 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS H 4 10.257 7.943 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS H 4 9.400 6.803 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS H 4 7.659 6.598 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS H 4 8.453 7.961 -0.054 1.00 0.00 H new ATOM 0 HZ1 LYS H 4 6.508 8.143 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS H 4 7.592 9.389 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS H 4 7.908 8.377 -2.865 1.00 0.00 H new ATOM 233 N CYS H 5 8.731 1.725 0.075 1.00 0.00 N ATOM 234 CA CYS H 5 7.635 0.716 -0.024 1.00 0.00 C ATOM 235 C CYS H 5 6.498 1.252 -0.893 1.00 0.00 C ATOM 236 O CYS H 5 6.393 2.437 -1.142 1.00 0.00 O ATOM 237 CB CYS H 5 7.110 0.408 1.379 1.00 0.00 C ATOM 238 SG CYS H 5 8.437 -0.338 2.354 1.00 0.00 S ATOM 0 H CYS H 5 9.161 1.802 0.997 1.00 0.00 H new ATOM 0 HA CYS H 5 8.024 -0.194 -0.481 1.00 0.00 H new ATOM 0 HB2 CYS H 5 6.759 1.322 1.858 1.00 0.00 H new ATOM 0 HB3 CYS H 5 6.258 -0.270 1.322 1.00 0.00 H new ATOM 243 N TYR H 6 5.647 0.381 -1.363 1.00 0.00 N ATOM 244 CA TYR H 6 4.516 0.829 -2.228 1.00 0.00 C ATOM 245 C TYR H 6 3.189 0.402 -1.595 1.00 0.00 C ATOM 246 O TYR H 6 2.918 -0.770 -1.430 1.00 0.00 O ATOM 247 CB TYR H 6 4.634 0.197 -3.626 1.00 0.00 C ATOM 248 CG TYR H 6 5.980 -0.477 -3.791 1.00 0.00 C ATOM 249 CD1 TYR H 6 7.153 0.287 -3.761 1.00 0.00 C ATOM 250 CD2 TYR H 6 6.051 -1.863 -3.971 1.00 0.00 C ATOM 251 CE1 TYR H 6 8.398 -0.337 -3.913 1.00 0.00 C ATOM 252 CE2 TYR H 6 7.295 -2.487 -4.123 1.00 0.00 C ATOM 253 CZ TYR H 6 8.468 -1.724 -4.093 1.00 0.00 C ATOM 254 OH TYR H 6 9.695 -2.339 -4.243 1.00 0.00 O ATOM 0 H TYR H 6 5.685 -0.623 -1.186 1.00 0.00 H new ATOM 0 HA TYR H 6 4.552 1.914 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR H 6 3.836 -0.531 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR H 6 4.509 0.964 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR H 6 7.098 1.356 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR H 6 5.146 -2.452 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR H 6 9.303 0.251 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR H 6 7.350 -3.556 -4.263 1.00 0.00 H new ATOM 0 HH TYR H 6 10.159 -2.359 -3.380 1.00 0.00 H new ATOM 264 N CYS H 7 2.355 1.344 -1.242 1.00 0.00 N ATOM 265 CA CYS H 7 1.047 0.985 -0.624 1.00 0.00 C ATOM 266 C CYS H 7 0.148 0.334 -1.677 1.00 0.00 C ATOM 267 O CYS H 7 -0.168 0.930 -2.691 1.00 0.00 O ATOM 268 CB CYS H 7 0.370 2.242 -0.087 1.00 0.00 C ATOM 269 SG CYS H 7 -1.157 1.785 0.773 1.00 0.00 S ATOM 0 H CYS H 7 2.523 2.344 -1.355 1.00 0.00 H new ATOM 0 HA CYS H 7 1.215 0.287 0.196 1.00 0.00 H new ATOM 0 HB2 CYS H 7 1.040 2.766 0.594 1.00 0.00 H new ATOM 0 HB3 CYS H 7 0.148 2.926 -0.906 1.00 0.00 H new ATOM 274 N THR H 8 -0.264 -0.885 -1.446 1.00 0.00 N ATOM 275 CA THR H 8 -1.140 -1.576 -2.434 1.00 0.00 C ATOM 276 C THR H 8 -2.293 -2.273 -1.709 1.00 0.00 C ATOM 277 O THR H 8 -2.873 -3.215 -2.211 1.00 0.00 O ATOM 278 CB THR H 8 -0.321 -2.618 -3.200 1.00 0.00 C ATOM 279 OG1 THR H 8 0.147 -3.608 -2.295 1.00 0.00 O ATOM 280 CG2 THR H 8 0.870 -1.937 -3.876 1.00 0.00 C ATOM 0 H THR H 8 -0.031 -1.430 -0.616 1.00 0.00 H new ATOM 0 HA THR H 8 -1.544 -0.841 -3.130 1.00 0.00 H new ATOM 0 HB THR H 8 -0.947 -3.087 -3.959 1.00 0.00 H new ATOM 0 HG1 THR H 8 0.231 -4.465 -2.763 1.00 0.00 H new ATOM 0 HG21 THR H 8 1.453 -2.680 -4.421 1.00 0.00 H new ATOM 0 HG22 THR H 8 0.509 -1.178 -4.570 1.00 0.00 H new ATOM 0 HG23 THR H 8 1.498 -1.467 -3.119 1.00 0.00 H new ATOM 288 N ASP H 9 -2.637 -1.818 -0.535 1.00 0.00 N ATOM 289 CA ASP H 9 -3.758 -2.459 0.207 1.00 0.00 C ATOM 290 C ASP H 9 -5.070 -2.197 -0.537 1.00 0.00 C ATOM 291 O ASP H 9 -5.156 -1.312 -1.364 1.00 0.00 O ATOM 292 CB ASP H 9 -3.842 -1.872 1.617 1.00 0.00 C ATOM 293 CG ASP H 9 -4.985 -2.542 2.383 1.00 0.00 C ATOM 294 OD1 ASP H 9 -4.766 -3.620 2.912 1.00 0.00 O ATOM 295 OD2 ASP H 9 -6.060 -1.967 2.426 1.00 0.00 O ATOM 0 H ASP H 9 -2.192 -1.033 -0.060 1.00 0.00 H new ATOM 0 HA ASP H 9 -3.584 -3.533 0.275 1.00 0.00 H new ATOM 0 HB2 ASP H 9 -2.899 -2.025 2.143 1.00 0.00 H new ATOM 0 HB3 ASP H 9 -4.007 -0.796 1.565 1.00 0.00 H new ATOM 300 N THR H 10 -6.091 -2.961 -0.256 1.00 0.00 N ATOM 301 CA THR H 10 -7.389 -2.749 -0.956 1.00 0.00 C ATOM 302 C THR H 10 -8.379 -2.069 -0.011 1.00 0.00 C ATOM 303 O THR H 10 -8.271 -2.179 1.195 1.00 0.00 O ATOM 304 CB THR H 10 -7.956 -4.100 -1.401 1.00 0.00 C ATOM 305 OG1 THR H 10 -7.836 -5.034 -0.337 1.00 0.00 O ATOM 306 CG2 THR H 10 -7.181 -4.608 -2.617 1.00 0.00 C ATOM 0 H THR H 10 -6.082 -3.720 0.426 1.00 0.00 H new ATOM 0 HA THR H 10 -7.228 -2.115 -1.828 1.00 0.00 H new ATOM 0 HB THR H 10 -9.006 -3.983 -1.668 1.00 0.00 H new ATOM 0 HG1 THR H 10 -8.049 -5.933 -0.665 1.00 0.00 H new ATOM 0 HG21 THR H 10 -7.587 -5.570 -2.931 1.00 0.00 H new ATOM 0 HG22 THR H 10 -7.273 -3.891 -3.433 1.00 0.00 H new ATOM 0 HG23 THR H 10 -6.130 -4.726 -2.355 1.00 0.00 H new ATOM 314 N TYR H 11 -9.341 -1.356 -0.539 1.00 0.00 N ATOM 315 CA TYR H 11 -10.320 -0.670 0.367 1.00 0.00 C ATOM 316 C TYR H 11 -11.683 -0.530 -0.312 1.00 0.00 C ATOM 317 O TYR H 11 -11.932 -1.079 -1.364 1.00 0.00 O ATOM 318 CB TYR H 11 -9.798 0.725 0.733 1.00 0.00 C ATOM 319 CG TYR H 11 -8.291 0.760 0.618 1.00 0.00 C ATOM 320 CD1 TYR H 11 -7.692 0.922 -0.636 1.00 0.00 C ATOM 321 CD2 TYR H 11 -7.495 0.629 1.762 1.00 0.00 C ATOM 322 CE1 TYR H 11 -6.298 0.955 -0.748 1.00 0.00 C ATOM 323 CE2 TYR H 11 -6.100 0.661 1.651 1.00 0.00 C ATOM 324 CZ TYR H 11 -5.501 0.823 0.396 1.00 0.00 C ATOM 325 OH TYR H 11 -4.126 0.856 0.288 1.00 0.00 O ATOM 0 H TYR H 11 -9.493 -1.219 -1.538 1.00 0.00 H new ATOM 0 HA TYR H 11 -10.433 -1.275 1.267 1.00 0.00 H new ATOM 0 HB2 TYR H 11 -10.239 1.472 0.073 1.00 0.00 H new ATOM 0 HB3 TYR H 11 -10.099 0.980 1.749 1.00 0.00 H new ATOM 0 HD1 TYR H 11 -8.307 1.022 -1.518 1.00 0.00 H new ATOM 0 HD2 TYR H 11 -7.957 0.503 2.730 1.00 0.00 H new ATOM 0 HE1 TYR H 11 -5.837 1.082 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR H 11 -5.486 0.561 2.534 1.00 0.00 H new ATOM 0 HH TYR H 11 -3.737 1.118 1.148 1.00 0.00 H new ATOM 335 N SER H 12 -12.566 0.220 0.285 1.00 0.00 N ATOM 336 CA SER H 12 -13.906 0.425 -0.324 1.00 0.00 C ATOM 337 C SER H 12 -13.929 1.801 -0.990 1.00 0.00 C ATOM 338 O SER H 12 -14.936 2.237 -1.510 1.00 0.00 O ATOM 339 CB SER H 12 -14.984 0.363 0.760 1.00 0.00 C ATOM 340 OG SER H 12 -14.554 -0.503 1.803 1.00 0.00 O ATOM 0 H SER H 12 -12.415 0.701 1.172 1.00 0.00 H new ATOM 0 HA SER H 12 -14.103 -0.354 -1.061 1.00 0.00 H new ATOM 0 HB2 SER H 12 -15.175 1.360 1.156 1.00 0.00 H new ATOM 0 HB3 SER H 12 -15.921 0.003 0.336 1.00 0.00 H new ATOM 0 HG SER H 12 -15.242 -0.543 2.500 1.00 0.00 H new ATOM 346 N ASP H 13 -12.816 2.490 -0.975 1.00 0.00 N ATOM 347 CA ASP H 13 -12.762 3.841 -1.604 1.00 0.00 C ATOM 348 C ASP H 13 -11.364 4.435 -1.411 1.00 0.00 C ATOM 349 O ASP H 13 -10.662 4.099 -0.478 1.00 0.00 O ATOM 350 CB ASP H 13 -13.802 4.752 -0.946 1.00 0.00 C ATOM 351 CG ASP H 13 -13.776 6.125 -1.619 1.00 0.00 C ATOM 352 OD1 ASP H 13 -12.944 6.933 -1.240 1.00 0.00 O ATOM 353 OD2 ASP H 13 -14.589 6.346 -2.502 1.00 0.00 O ATOM 0 H ASP H 13 -11.943 2.174 -0.554 1.00 0.00 H new ATOM 0 HA ASP H 13 -12.977 3.757 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP H 13 -14.795 4.311 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP H 13 -13.591 4.853 0.119 1.00 0.00 H new ATOM 358 N CYS H 14 -10.950 5.315 -2.285 1.00 0.00 N ATOM 359 CA CYS H 14 -9.597 5.920 -2.140 1.00 0.00 C ATOM 360 C CYS H 14 -9.399 6.352 -0.681 1.00 0.00 C ATOM 361 O CYS H 14 -10.112 7.205 -0.191 1.00 0.00 O ATOM 362 CB CYS H 14 -9.477 7.138 -3.059 1.00 0.00 C ATOM 363 SG CYS H 14 -8.574 6.673 -4.557 1.00 0.00 S ATOM 0 H CYS H 14 -11.489 5.638 -3.088 1.00 0.00 H new ATOM 0 HA CYS H 14 -8.835 5.191 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS H 14 -10.468 7.510 -3.319 1.00 0.00 H new ATOM 0 HB3 CYS H 14 -8.958 7.946 -2.544 1.00 0.00 H new ATOM 368 N PRO H 15 -8.444 5.741 -0.024 1.00 0.00 N ATOM 369 CA PRO H 15 -8.143 6.034 1.386 1.00 0.00 C ATOM 370 C PRO H 15 -7.385 7.353 1.531 1.00 0.00 C ATOM 371 O PRO H 15 -6.727 7.813 0.619 1.00 0.00 O ATOM 372 CB PRO H 15 -7.294 4.841 1.829 1.00 0.00 C ATOM 373 CG PRO H 15 -6.689 4.235 0.546 1.00 0.00 C ATOM 374 CD PRO H 15 -7.576 4.706 -0.621 1.00 0.00 C ATOM 0 HA PRO H 15 -9.039 6.157 1.994 1.00 0.00 H new ATOM 0 HB2 PRO H 15 -6.509 5.157 2.516 1.00 0.00 H new ATOM 0 HB3 PRO H 15 -7.902 4.106 2.356 1.00 0.00 H new ATOM 0 HG2 PRO H 15 -5.660 4.566 0.409 1.00 0.00 H new ATOM 0 HG3 PRO H 15 -6.669 3.147 0.603 1.00 0.00 H new ATOM 0 HD2 PRO H 15 -6.978 5.111 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO H 15 -8.162 3.884 -1.032 1.00 0.00 H new ATOM 382 N GLY H 16 -7.485 7.966 2.679 1.00 0.00 N ATOM 383 CA GLY H 16 -6.783 9.258 2.904 1.00 0.00 C ATOM 384 C GLY H 16 -5.290 9.067 2.660 1.00 0.00 C ATOM 385 O GLY H 16 -4.590 9.987 2.285 1.00 0.00 O ATOM 0 H GLY H 16 -8.026 7.624 3.473 1.00 0.00 H new ATOM 0 HA2 GLY H 16 -7.178 10.022 2.234 1.00 0.00 H new ATOM 0 HA3 GLY H 16 -6.955 9.607 3.922 1.00 0.00 H new ATOM 389 N PHE H 17 -4.792 7.878 2.864 1.00 0.00 N ATOM 390 CA PHE H 17 -3.342 7.642 2.634 1.00 0.00 C ATOM 391 C PHE H 17 -3.113 7.310 1.159 1.00 0.00 C ATOM 392 O PHE H 17 -2.033 7.498 0.637 1.00 0.00 O ATOM 393 CB PHE H 17 -2.846 6.491 3.514 1.00 0.00 C ATOM 394 CG PHE H 17 -3.827 5.346 3.474 1.00 0.00 C ATOM 395 CD1 PHE H 17 -3.811 4.450 2.400 1.00 0.00 C ATOM 396 CD2 PHE H 17 -4.744 5.174 4.518 1.00 0.00 C ATOM 397 CE1 PHE H 17 -4.715 3.382 2.367 1.00 0.00 C ATOM 398 CE2 PHE H 17 -5.647 4.105 4.486 1.00 0.00 C ATOM 399 CZ PHE H 17 -5.632 3.209 3.410 1.00 0.00 C ATOM 0 H PHE H 17 -5.324 7.066 3.178 1.00 0.00 H new ATOM 0 HA PHE H 17 -2.785 8.542 2.895 1.00 0.00 H new ATOM 0 HB2 PHE H 17 -1.868 6.154 3.169 1.00 0.00 H new ATOM 0 HB3 PHE H 17 -2.720 6.836 4.540 1.00 0.00 H new ATOM 0 HD1 PHE H 17 -3.101 4.582 1.597 1.00 0.00 H new ATOM 0 HD2 PHE H 17 -4.755 5.866 5.347 1.00 0.00 H new ATOM 0 HE1 PHE H 17 -4.705 2.691 1.537 1.00 0.00 H new ATOM 0 HE2 PHE H 17 -6.355 3.971 5.291 1.00 0.00 H new ATOM 0 HZ PHE H 17 -6.328 2.384 3.385 1.00 0.00 H new ATOM 409 N CYS H 18 -4.120 6.832 0.471 1.00 0.00 N ATOM 410 CA CYS H 18 -3.927 6.516 -0.976 1.00 0.00 C ATOM 411 C CYS H 18 -4.943 7.302 -1.806 1.00 0.00 C ATOM 412 O CYS H 18 -5.900 6.755 -2.316 1.00 0.00 O ATOM 413 CB CYS H 18 -4.113 5.019 -1.218 1.00 0.00 C ATOM 414 SG CYS H 18 -3.207 4.527 -2.706 1.00 0.00 S ATOM 0 H CYS H 18 -5.053 6.650 0.842 1.00 0.00 H new ATOM 0 HA CYS H 18 -2.916 6.797 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS H 18 -3.754 4.454 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS H 18 -5.172 4.788 -1.332 1.00 0.00 H new ATOM 419 N LYS H 19 -4.740 8.585 -1.946 1.00 0.00 N ATOM 420 CA LYS H 19 -5.689 9.409 -2.742 1.00 0.00 C ATOM 421 C LYS H 19 -5.839 8.798 -4.135 1.00 0.00 C ATOM 422 O LYS H 19 -6.816 9.022 -4.822 1.00 0.00 O ATOM 423 CB LYS H 19 -5.145 10.834 -2.862 1.00 0.00 C ATOM 424 CG LYS H 19 -3.636 10.792 -3.110 1.00 0.00 C ATOM 425 CD LYS H 19 -2.914 11.568 -2.005 1.00 0.00 C ATOM 426 CE LYS H 19 -2.593 12.982 -2.494 1.00 0.00 C ATOM 427 NZ LYS H 19 -1.609 12.912 -3.612 1.00 0.00 N ATOM 0 H LYS H 19 -3.956 9.097 -1.542 1.00 0.00 H new ATOM 0 HA LYS H 19 -6.661 9.433 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS H 19 -5.643 11.356 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS H 19 -5.358 11.393 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS H 19 -3.289 9.759 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS H 19 -3.405 11.225 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS H 19 -3.538 11.614 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS H 19 -1.995 11.052 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS H 19 -3.504 13.478 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS H 19 -2.188 13.578 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS H 19 -0.988 13.746 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS H 19 -1.035 12.050 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS H 19 -2.116 12.891 -4.520 1.00 0.00 H new ATOM 441 N THR H 20 -4.881 8.019 -4.550 1.00 0.00 N ATOM 442 CA THR H 20 -4.962 7.378 -5.891 1.00 0.00 C ATOM 443 C THR H 20 -5.293 5.899 -5.707 1.00 0.00 C ATOM 444 O THR H 20 -4.571 5.169 -5.058 1.00 0.00 O ATOM 445 CB THR H 20 -3.616 7.519 -6.610 1.00 0.00 C ATOM 446 OG1 THR H 20 -3.347 8.895 -6.842 1.00 0.00 O ATOM 447 CG2 THR H 20 -3.666 6.774 -7.945 1.00 0.00 C ATOM 0 H THR H 20 -4.041 7.798 -4.015 1.00 0.00 H new ATOM 0 HA THR H 20 -5.736 7.860 -6.488 1.00 0.00 H new ATOM 0 HB THR H 20 -2.827 7.093 -5.990 1.00 0.00 H new ATOM 0 HG1 THR H 20 -2.486 8.987 -7.300 1.00 0.00 H new ATOM 0 HG21 THR H 20 -2.708 6.876 -8.455 1.00 0.00 H new ATOM 0 HG22 THR H 20 -3.871 5.719 -7.765 1.00 0.00 H new ATOM 0 HG23 THR H 20 -4.455 7.196 -8.568 1.00 0.00 H new ATOM 455 N CYS H 21 -6.385 5.449 -6.259 1.00 0.00 N ATOM 456 CA CYS H 21 -6.756 4.018 -6.092 1.00 0.00 C ATOM 457 C CYS H 21 -7.658 3.572 -7.242 1.00 0.00 C ATOM 458 O CYS H 21 -7.892 4.302 -8.186 1.00 0.00 O ATOM 459 CB CYS H 21 -7.509 3.847 -4.773 1.00 0.00 C ATOM 460 SG CYS H 21 -9.081 4.741 -4.863 1.00 0.00 S ATOM 0 H CYS H 21 -7.033 6.007 -6.815 1.00 0.00 H new ATOM 0 HA CYS H 21 -5.850 3.412 -6.090 1.00 0.00 H new ATOM 0 HB2 CYS H 21 -7.689 2.790 -4.578 1.00 0.00 H new ATOM 0 HB3 CYS H 21 -6.908 4.226 -3.946 1.00 0.00 H new ATOM 465 N LYS H 22 -8.168 2.375 -7.162 1.00 0.00 N ATOM 466 CA LYS H 22 -9.062 1.862 -8.235 1.00 0.00 C ATOM 467 C LYS H 22 -10.021 0.834 -7.632 1.00 0.00 C ATOM 468 O LYS H 22 -9.630 0.002 -6.838 1.00 0.00 O ATOM 469 CB LYS H 22 -8.219 1.198 -9.325 1.00 0.00 C ATOM 470 CG LYS H 22 -8.279 2.040 -10.601 1.00 0.00 C ATOM 471 CD LYS H 22 -7.396 1.402 -11.674 1.00 0.00 C ATOM 472 CE LYS H 22 -7.295 2.342 -12.876 1.00 0.00 C ATOM 473 NZ LYS H 22 -6.725 1.604 -14.038 1.00 0.00 N ATOM 0 H LYS H 22 -8.002 1.726 -6.393 1.00 0.00 H new ATOM 0 HA LYS H 22 -9.629 2.685 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS H 22 -7.186 1.098 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS H 22 -8.588 0.192 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS H 22 -9.307 2.110 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS H 22 -7.943 3.056 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS H 22 -6.403 1.201 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS H 22 -7.814 0.444 -11.982 1.00 0.00 H new ATOM 0 HE2 LYS H 22 -8.280 2.734 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS H 22 -6.665 3.197 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS H 22 -6.656 2.243 -14.855 1.00 0.00 H new ATOM 0 HZ2 LYS H 22 -5.778 1.251 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS H 22 -7.343 0.802 -14.277 1.00 0.00 H new ATOM 487 N ALA H 23 -11.273 0.884 -7.992 1.00 0.00 N ATOM 488 CA ALA H 23 -12.242 -0.093 -7.426 1.00 0.00 C ATOM 489 C ALA H 23 -12.377 -1.287 -8.371 1.00 0.00 C ATOM 490 O ALA H 23 -12.983 -1.194 -9.420 1.00 0.00 O ATOM 491 CB ALA H 23 -13.607 0.575 -7.252 1.00 0.00 C ATOM 0 H ALA H 23 -11.665 1.556 -8.651 1.00 0.00 H new ATOM 0 HA ALA H 23 -11.881 -0.435 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA H 23 -14.314 -0.144 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA H 23 -13.513 1.424 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA H 23 -13.968 0.922 -8.220 1.00 0.00 H new ATOM 497 N GLU H 24 -11.819 -2.408 -8.010 1.00 0.00 N ATOM 498 CA GLU H 24 -11.921 -3.602 -8.890 1.00 0.00 C ATOM 499 C GLU H 24 -12.425 -4.797 -8.076 1.00 0.00 C ATOM 500 O GLU H 24 -12.230 -4.875 -6.880 1.00 0.00 O ATOM 501 CB GLU H 24 -10.546 -3.921 -9.479 1.00 0.00 C ATOM 502 CG GLU H 24 -10.049 -2.722 -10.290 1.00 0.00 C ATOM 503 CD GLU H 24 -10.611 -2.799 -11.710 1.00 0.00 C ATOM 504 OE1 GLU H 24 -11.257 -3.787 -12.018 1.00 0.00 O ATOM 505 OE2 GLU H 24 -10.385 -1.868 -12.466 1.00 0.00 O ATOM 0 H GLU H 24 -11.298 -2.548 -7.145 1.00 0.00 H new ATOM 0 HA GLU H 24 -12.621 -3.398 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU H 24 -9.841 -4.151 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU H 24 -10.607 -4.804 -10.115 1.00 0.00 H new ATOM 0 HG2 GLU H 24 -10.361 -1.793 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU H 24 -8.959 -2.715 -10.319 1.00 0.00 H new ATOM 512 N PHE H 25 -13.080 -5.724 -8.721 1.00 0.00 N ATOM 513 CA PHE H 25 -13.619 -6.925 -8.007 1.00 0.00 C ATOM 514 C PHE H 25 -14.431 -6.498 -6.779 1.00 0.00 C ATOM 515 O PHE H 25 -14.705 -7.295 -5.904 1.00 0.00 O ATOM 516 CB PHE H 25 -12.486 -7.869 -7.565 1.00 0.00 C ATOM 517 CG PHE H 25 -11.135 -7.237 -7.792 1.00 0.00 C ATOM 518 CD1 PHE H 25 -10.620 -7.128 -9.088 1.00 0.00 C ATOM 519 CD2 PHE H 25 -10.399 -6.760 -6.703 1.00 0.00 C ATOM 520 CE1 PHE H 25 -9.366 -6.543 -9.294 1.00 0.00 C ATOM 521 CE2 PHE H 25 -9.146 -6.175 -6.907 1.00 0.00 C ATOM 522 CZ PHE H 25 -8.628 -6.065 -8.204 1.00 0.00 C ATOM 0 H PHE H 25 -13.268 -5.703 -9.723 1.00 0.00 H new ATOM 0 HA PHE H 25 -14.265 -7.458 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE H 25 -12.604 -8.115 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE H 25 -12.551 -8.805 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE H 25 -11.190 -7.495 -9.929 1.00 0.00 H new ATOM 0 HD2 PHE H 25 -10.799 -6.844 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE H 25 -8.967 -6.460 -10.294 1.00 0.00 H new ATOM 0 HE2 PHE H 25 -8.578 -5.808 -6.065 1.00 0.00 H new ATOM 0 HZ PHE H 25 -7.661 -5.612 -8.363 1.00 0.00 H new ATOM 532 N GLY H 26 -14.846 -5.260 -6.712 1.00 0.00 N ATOM 533 CA GLY H 26 -15.667 -4.818 -5.547 1.00 0.00 C ATOM 534 C GLY H 26 -14.815 -4.079 -4.507 1.00 0.00 C ATOM 535 O GLY H 26 -15.313 -3.247 -3.775 1.00 0.00 O ATOM 0 H GLY H 26 -14.653 -4.540 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY H 26 -16.469 -4.165 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY H 26 -16.139 -5.684 -5.083 1.00 0.00 H new ATOM 539 N LYS H 27 -13.547 -4.371 -4.418 1.00 0.00 N ATOM 540 CA LYS H 27 -12.702 -3.676 -3.407 1.00 0.00 C ATOM 541 C LYS H 27 -11.875 -2.590 -4.088 1.00 0.00 C ATOM 542 O LYS H 27 -12.109 -2.238 -5.227 1.00 0.00 O ATOM 543 CB LYS H 27 -11.773 -4.690 -2.734 1.00 0.00 C ATOM 544 CG LYS H 27 -10.664 -5.098 -3.706 1.00 0.00 C ATOM 545 CD LYS H 27 -9.953 -6.342 -3.171 1.00 0.00 C ATOM 546 CE LYS H 27 -10.886 -7.550 -3.275 1.00 0.00 C ATOM 547 NZ LYS H 27 -10.126 -8.722 -3.797 1.00 0.00 N ATOM 0 H LYS H 27 -13.062 -5.056 -4.997 1.00 0.00 H new ATOM 0 HA LYS H 27 -13.342 -3.217 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS H 27 -11.339 -4.257 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS H 27 -12.340 -5.568 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS H 27 -11.085 -5.301 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS H 27 -9.952 -4.282 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS H 27 -9.041 -6.524 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS H 27 -9.657 -6.186 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS H 27 -11.307 -7.783 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS H 27 -11.722 -7.321 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS H 27 -10.687 -9.587 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS H 27 -9.934 -8.588 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS H 27 -9.226 -8.810 -3.283 1.00 0.00 H new ATOM 561 N TYR H 28 -10.909 -2.053 -3.399 1.00 0.00 N ATOM 562 CA TYR H 28 -10.067 -0.988 -4.007 1.00 0.00 C ATOM 563 C TYR H 28 -8.628 -1.460 -4.081 1.00 0.00 C ATOM 564 O TYR H 28 -8.273 -2.473 -3.522 1.00 0.00 O ATOM 565 CB TYR H 28 -10.104 0.273 -3.151 1.00 0.00 C ATOM 566 CG TYR H 28 -11.098 1.201 -3.742 1.00 0.00 C ATOM 567 CD1 TYR H 28 -12.442 1.048 -3.430 1.00 0.00 C ATOM 568 CD2 TYR H 28 -10.680 2.192 -4.621 1.00 0.00 C ATOM 569 CE1 TYR H 28 -13.387 1.892 -3.998 1.00 0.00 C ATOM 570 CE2 TYR H 28 -11.615 3.047 -5.193 1.00 0.00 C ATOM 571 CZ TYR H 28 -12.978 2.900 -4.885 1.00 0.00 C ATOM 572 OH TYR H 28 -13.913 3.742 -5.455 1.00 0.00 O ATOM 0 H TYR H 28 -10.666 -2.306 -2.441 1.00 0.00 H new ATOM 0 HA TYR H 28 -10.455 -0.772 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR H 28 -10.375 0.028 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR H 28 -9.120 0.740 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR H 28 -12.753 0.273 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR H 28 -9.632 2.298 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR H 28 -14.433 1.773 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR H 28 -11.294 3.823 -5.873 1.00 0.00 H new ATOM 0 HH TYR H 28 -13.461 4.383 -6.043 1.00 0.00 H new ATOM 582 N ILE H 29 -7.792 -0.712 -4.738 1.00 0.00 N ATOM 583 CA ILE H 29 -6.361 -1.096 -4.817 1.00 0.00 C ATOM 584 C ILE H 29 -5.512 0.174 -4.746 1.00 0.00 C ATOM 585 O ILE H 29 -5.736 1.126 -5.469 1.00 0.00 O ATOM 586 CB ILE H 29 -6.078 -1.830 -6.127 1.00 0.00 C ATOM 587 CG1 ILE H 29 -7.127 -2.923 -6.344 1.00 0.00 C ATOM 588 CG2 ILE H 29 -4.689 -2.468 -6.062 1.00 0.00 C ATOM 589 CD1 ILE H 29 -8.125 -2.469 -7.409 1.00 0.00 C ATOM 0 H ILE H 29 -8.039 0.150 -5.224 1.00 0.00 H new ATOM 0 HA ILE H 29 -6.116 -1.761 -3.989 1.00 0.00 H new ATOM 0 HB ILE H 29 -6.119 -1.120 -6.953 1.00 0.00 H new ATOM 0 HG12 ILE H 29 -6.643 -3.849 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE H 29 -7.647 -3.133 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE H 29 -4.485 -2.992 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE H 29 -3.939 -1.692 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE H 29 -4.652 -3.175 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE H 29 -8.872 -3.248 -7.563 1.00 0.00 H new ATOM 0 HD12 ILE H 29 -8.617 -1.554 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE H 29 -7.598 -2.281 -8.345 1.00 0.00 H new ATOM 601 N CYS H 30 -4.550 0.200 -3.872 1.00 0.00 N ATOM 602 CA CYS H 30 -3.693 1.408 -3.734 1.00 0.00 C ATOM 603 C CYS H 30 -2.483 1.301 -4.660 1.00 0.00 C ATOM 604 O CYS H 30 -1.907 0.247 -4.839 1.00 0.00 O ATOM 605 CB CYS H 30 -3.220 1.525 -2.288 1.00 0.00 C ATOM 606 SG CYS H 30 -2.106 2.941 -2.114 1.00 0.00 S ATOM 0 H CYS H 30 -4.318 -0.568 -3.242 1.00 0.00 H new ATOM 0 HA CYS H 30 -4.270 2.292 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS H 30 -4.077 1.642 -1.625 1.00 0.00 H new ATOM 0 HB3 CYS H 30 -2.708 0.610 -1.989 1.00 0.00 H new ATOM 611 N LEU H 31 -2.091 2.396 -5.239 1.00 0.00 N ATOM 612 CA LEU H 31 -0.912 2.391 -6.143 1.00 0.00 C ATOM 613 C LEU H 31 -0.027 3.573 -5.761 1.00 0.00 C ATOM 614 O LEU H 31 0.499 4.275 -6.602 1.00 0.00 O ATOM 615 CB LEU H 31 -1.372 2.535 -7.594 1.00 0.00 C ATOM 616 CG LEU H 31 -0.532 1.621 -8.487 1.00 0.00 C ATOM 617 CD1 LEU H 31 -1.181 0.238 -8.558 1.00 0.00 C ATOM 618 CD2 LEU H 31 -0.449 2.218 -9.893 1.00 0.00 C ATOM 0 H LEU H 31 -2.541 3.304 -5.124 1.00 0.00 H new ATOM 0 HA LEU H 31 -0.361 1.456 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU H 31 -2.427 2.276 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU H 31 -1.271 3.571 -7.918 1.00 0.00 H new ATOM 0 HG LEU H 31 0.471 1.530 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU H 31 -0.582 -0.413 -9.195 1.00 0.00 H new ATOM 0 HD12 LEU H 31 -1.240 -0.188 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU H 31 -2.185 0.328 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU H 31 0.150 1.567 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU H 31 -1.452 2.310 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU H 31 0.015 3.203 -9.843 1.00 0.00 H new ATOM 630 N ASP H 32 0.119 3.806 -4.486 1.00 0.00 N ATOM 631 CA ASP H 32 0.949 4.956 -4.025 1.00 0.00 C ATOM 632 C ASP H 32 2.319 4.462 -3.555 1.00 0.00 C ATOM 633 O ASP H 32 2.597 3.279 -3.549 1.00 0.00 O ATOM 634 CB ASP H 32 0.234 5.659 -2.868 1.00 0.00 C ATOM 635 CG ASP H 32 -0.328 6.997 -3.351 1.00 0.00 C ATOM 636 OD1 ASP H 32 -0.619 7.103 -4.531 1.00 0.00 O ATOM 637 OD2 ASP H 32 -0.459 7.892 -2.533 1.00 0.00 O ATOM 0 H ASP H 32 -0.301 3.249 -3.742 1.00 0.00 H new ATOM 0 HA ASP H 32 1.090 5.652 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP H 32 -0.571 5.030 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP H 32 0.928 5.821 -2.043 1.00 0.00 H new ATOM 642 N LEU H 33 3.177 5.365 -3.162 1.00 0.00 N ATOM 643 CA LEU H 33 4.531 4.960 -2.692 1.00 0.00 C ATOM 644 C LEU H 33 4.862 5.707 -1.397 1.00 0.00 C ATOM 645 O LEU H 33 5.007 6.913 -1.386 1.00 0.00 O ATOM 646 CB LEU H 33 5.569 5.313 -3.760 1.00 0.00 C ATOM 647 CG LEU H 33 5.925 4.063 -4.567 1.00 0.00 C ATOM 648 CD1 LEU H 33 4.906 3.873 -5.692 1.00 0.00 C ATOM 649 CD2 LEU H 33 7.321 4.230 -5.172 1.00 0.00 C ATOM 0 H LEU H 33 2.997 6.369 -3.147 1.00 0.00 H new ATOM 0 HA LEU H 33 4.547 3.885 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU H 33 5.176 6.085 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU H 33 6.464 5.721 -3.290 1.00 0.00 H new ATOM 0 HG LEU H 33 5.911 3.192 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU H 33 5.160 2.982 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU H 33 3.910 3.757 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU H 33 4.921 4.744 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU H 33 7.577 3.340 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU H 33 7.332 5.101 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU H 33 8.050 4.367 -4.373 1.00 0.00 H new ATOM 661 N ILE H 34 4.982 5.001 -0.306 1.00 0.00 N ATOM 662 CA ILE H 34 5.304 5.670 0.986 1.00 0.00 C ATOM 663 C ILE H 34 5.905 4.641 1.949 1.00 0.00 C ATOM 664 O ILE H 34 5.616 3.463 1.874 1.00 0.00 O ATOM 665 CB ILE H 34 4.021 6.263 1.586 1.00 0.00 C ATOM 666 CG1 ILE H 34 3.707 7.595 0.899 1.00 0.00 C ATOM 667 CG2 ILE H 34 4.205 6.507 3.088 1.00 0.00 C ATOM 668 CD1 ILE H 34 2.580 7.395 -0.117 1.00 0.00 C ATOM 0 H ILE H 34 4.871 3.988 -0.254 1.00 0.00 H new ATOM 0 HA ILE H 34 6.024 6.472 0.820 1.00 0.00 H new ATOM 0 HB ILE H 34 3.201 5.561 1.433 1.00 0.00 H new ATOM 0 HG12 ILE H 34 3.414 8.338 1.641 1.00 0.00 H new ATOM 0 HG13 ILE H 34 4.597 7.977 0.399 1.00 0.00 H new ATOM 0 HG21 ILE H 34 3.289 6.928 3.503 1.00 0.00 H new ATOM 0 HG22 ILE H 34 4.429 5.563 3.585 1.00 0.00 H new ATOM 0 HG23 ILE H 34 5.028 7.204 3.245 1.00 0.00 H new ATOM 0 HD11 ILE H 34 2.358 8.344 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE H 34 2.890 6.666 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE H 34 1.689 7.033 0.395 1.00 0.00 H new ATOM 680 N SER H 35 6.740 5.077 2.852 1.00 0.00 N ATOM 681 CA SER H 35 7.358 4.125 3.817 1.00 0.00 C ATOM 682 C SER H 35 8.010 4.909 4.960 1.00 0.00 C ATOM 683 O SER H 35 9.212 5.090 4.978 1.00 0.00 O ATOM 684 CB SER H 35 8.420 3.290 3.101 1.00 0.00 C ATOM 685 OG SER H 35 8.766 2.175 3.913 1.00 0.00 O ATOM 0 H SER H 35 7.021 6.051 2.963 1.00 0.00 H new ATOM 0 HA SER H 35 6.589 3.466 4.220 1.00 0.00 H new ATOM 0 HB2 SER H 35 8.042 2.949 2.137 1.00 0.00 H new ATOM 0 HB3 SER H 35 9.303 3.897 2.901 1.00 0.00 H new ATOM 0 HG SER H 35 9.028 1.423 3.342 1.00 0.00 H new ATOM 691 N PRO H 36 7.193 5.349 5.883 1.00 0.00 N ATOM 692 CA PRO H 36 7.656 6.119 7.050 1.00 0.00 C ATOM 693 C PRO H 36 8.290 5.188 8.089 1.00 0.00 C ATOM 694 O PRO H 36 8.663 5.608 9.166 1.00 0.00 O ATOM 695 CB PRO H 36 6.372 6.754 7.593 1.00 0.00 C ATOM 696 CG PRO H 36 5.201 5.886 7.074 1.00 0.00 C ATOM 697 CD PRO H 36 5.734 5.117 5.850 1.00 0.00 C ATOM 0 HA PRO H 36 8.418 6.858 6.802 1.00 0.00 H new ATOM 0 HB2 PRO H 36 6.383 6.780 8.683 1.00 0.00 H new ATOM 0 HB3 PRO H 36 6.273 7.784 7.250 1.00 0.00 H new ATOM 0 HG2 PRO H 36 4.858 5.197 7.845 1.00 0.00 H new ATOM 0 HG3 PRO H 36 4.349 6.508 6.800 1.00 0.00 H new ATOM 0 HD2 PRO H 36 5.498 4.055 5.913 1.00 0.00 H new ATOM 0 HD3 PRO H 36 5.293 5.487 4.924 1.00 0.00 H new ATOM 705 N ASN H 37 8.415 3.928 7.772 1.00 0.00 N ATOM 706 CA ASN H 37 9.024 2.971 8.738 1.00 0.00 C ATOM 707 C ASN H 37 9.017 1.566 8.130 1.00 0.00 C ATOM 708 O ASN H 37 8.883 1.398 6.934 1.00 0.00 O ATOM 709 CB ASN H 37 8.213 2.973 10.037 1.00 0.00 C ATOM 710 CG ASN H 37 6.885 2.244 9.816 1.00 0.00 C ATOM 711 OD1 ASN H 37 6.603 1.260 10.471 1.00 0.00 O ATOM 712 ND2 ASN H 37 6.052 2.689 8.915 1.00 0.00 N ATOM 0 H ASN H 37 8.121 3.520 6.885 1.00 0.00 H new ATOM 0 HA ASN H 37 10.050 3.269 8.953 1.00 0.00 H new ATOM 0 HB2 ASN H 37 8.779 2.486 10.831 1.00 0.00 H new ATOM 0 HB3 ASN H 37 8.027 3.997 10.360 1.00 0.00 H new ATOM 0 HD21 ASN H 37 5.164 2.211 8.761 1.00 0.00 H new ATOM 0 HD22 ASN H 37 6.289 3.515 8.365 1.00 0.00 H new ATOM 719 N ASP H 38 9.155 0.555 8.943 1.00 0.00 N ATOM 720 CA ASP H 38 9.150 -0.835 8.408 1.00 0.00 C ATOM 721 C ASP H 38 7.812 -1.107 7.719 1.00 0.00 C ATOM 722 O ASP H 38 7.755 -1.382 6.537 1.00 0.00 O ATOM 723 CB ASP H 38 9.342 -1.825 9.558 1.00 0.00 C ATOM 724 CG ASP H 38 10.492 -2.776 9.225 1.00 0.00 C ATOM 725 OD1 ASP H 38 10.236 -3.783 8.585 1.00 0.00 O ATOM 726 OD2 ASP H 38 11.609 -2.482 9.616 1.00 0.00 O ATOM 0 H ASP H 38 9.271 0.632 9.954 1.00 0.00 H new ATOM 0 HA ASP H 38 9.961 -0.953 7.690 1.00 0.00 H new ATOM 0 HB2 ASP H 38 9.556 -1.288 10.482 1.00 0.00 H new ATOM 0 HB3 ASP H 38 8.425 -2.390 9.723 1.00 0.00 H new ATOM 731 N CYS H 39 6.734 -1.029 8.449 1.00 0.00 N ATOM 732 CA CYS H 39 5.400 -1.280 7.839 1.00 0.00 C ATOM 733 C CYS H 39 4.310 -1.048 8.888 1.00 0.00 C ATOM 734 O CYS H 39 4.582 -0.628 9.995 1.00 0.00 O ATOM 735 CB CYS H 39 5.330 -2.723 7.336 1.00 0.00 C ATOM 736 SG CYS H 39 5.595 -2.752 5.545 1.00 0.00 S ATOM 0 H CYS H 39 6.720 -0.802 9.443 1.00 0.00 H new ATOM 0 HA CYS H 39 5.249 -0.599 7.001 1.00 0.00 H new ATOM 0 HB2 CYS H 39 6.084 -3.331 7.836 1.00 0.00 H new ATOM 0 HB3 CYS H 39 4.360 -3.157 7.578 1.00 0.00 H new ATOM 741 N VAL H 40 3.079 -1.316 8.549 1.00 0.00 N ATOM 742 CA VAL H 40 1.974 -1.108 9.527 1.00 0.00 C ATOM 743 C VAL H 40 1.548 -2.451 10.107 1.00 0.00 C ATOM 744 O VAL H 40 0.382 -2.712 10.326 1.00 0.00 O ATOM 745 CB VAL H 40 0.788 -0.464 8.820 1.00 0.00 C ATOM 746 CG1 VAL H 40 -0.253 -0.031 9.854 1.00 0.00 C ATOM 747 CG2 VAL H 40 1.266 0.756 8.030 1.00 0.00 C ATOM 0 H VAL H 40 2.790 -1.670 7.637 1.00 0.00 H new ATOM 0 HA VAL H 40 2.318 -0.458 10.331 1.00 0.00 H new ATOM 0 HB VAL H 40 0.338 -1.185 8.137 1.00 0.00 H new ATOM 0 HG11 VAL H 40 -1.101 0.429 9.346 1.00 0.00 H new ATOM 0 HG12 VAL H 40 -0.595 -0.902 10.413 1.00 0.00 H new ATOM 0 HG13 VAL H 40 0.193 0.689 10.540 1.00 0.00 H new ATOM 0 HG21 VAL H 40 0.418 1.217 7.524 1.00 0.00 H new ATOM 0 HG22 VAL H 40 1.717 1.477 8.712 1.00 0.00 H new ATOM 0 HG23 VAL H 40 2.004 0.444 7.291 1.00 0.00 H new ATOM 757 N LYS H 41 2.493 -3.300 10.357 1.00 0.00 N ATOM 758 CA LYS H 41 2.174 -4.639 10.927 1.00 0.00 C ATOM 759 C LYS H 41 1.098 -5.313 10.072 1.00 0.00 C ATOM 760 O LYS H 41 1.214 -5.259 8.859 1.00 0.00 O ATOM 761 CB LYS H 41 1.658 -4.475 12.359 1.00 0.00 C ATOM 762 CG LYS H 41 2.829 -4.565 13.340 1.00 0.00 C ATOM 763 CD LYS H 41 2.705 -5.846 14.167 1.00 0.00 C ATOM 764 CE LYS H 41 3.982 -6.050 14.984 1.00 0.00 C ATOM 765 NZ LYS H 41 3.634 -6.163 16.429 1.00 0.00 N ATOM 766 OXT LYS H 41 0.178 -5.873 10.646 1.00 0.00 O ATOM 0 H LYS H 41 3.485 -3.128 10.191 1.00 0.00 H new ATOM 0 HA LYS H 41 3.073 -5.255 10.933 1.00 0.00 H new ATOM 0 HB2 LYS H 41 1.153 -3.515 12.467 1.00 0.00 H new ATOM 0 HB3 LYS H 41 0.923 -5.248 12.582 1.00 0.00 H new ATOM 0 HG2 LYS H 41 3.774 -4.561 12.796 1.00 0.00 H new ATOM 0 HG3 LYS H 41 2.835 -3.695 13.996 1.00 0.00 H new ATOM 0 HD2 LYS H 41 1.842 -5.782 14.830 1.00 0.00 H new ATOM 0 HD3 LYS H 41 2.540 -6.701 13.511 1.00 0.00 H new ATOM 0 HE2 LYS H 41 4.499 -6.950 14.652 1.00 0.00 H new ATOM 0 HE3 LYS H 41 4.664 -5.214 14.827 1.00 0.00 H new ATOM 0 HZ1 LYS H 41 4.502 -6.302 16.985 1.00 0.00 H new ATOM 0 HZ2 LYS H 41 3.158 -5.292 16.741 1.00 0.00 H new ATOM 0 HZ3 LYS H 41 2.999 -6.974 16.571 1.00 0.00 H new TER 780 LYS H 41 CONECT 32 269 CONECT 68 736 CONECT 94 238 CONECT 238 94 CONECT 269 32 CONECT 363 460 CONECT 414 606 CONECT 460 363 CONECT 606 414 CONECT 736 68 END