USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) HEADER HYDROLASE INHIBITOR 13-JAN-00 1DTV TITLE NMR STRUCTURE OF THE LEECH CARBOXYPEPTIDASE INHIBITOR (LCI) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARBOXYPEPTIDASE INHIBITOR; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LCI SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; SOURCE 3 ORGANISM_COMMON: MEDICINAL LEECH; SOURCE 4 ORGANISM_TAXID: 6421 KEYWDS LEECH CARBOXYPEPTIDASE INHIBITOR, LCI, HYDROLASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR D.REVERTER,C.FERNANDEZ-CATALAN,W.BODE,T.A.HOLAK,F.X.AVILES REVDAT 2 24-FEB-09 1DTV 1 VERSN REVDAT 1 19-JUL-00 1DTV 0 JRNL AUTH D.REVERTER,C.FERNANDEZ-CATALAN,R.BAUMGARTNER, JRNL AUTH 2 R.PFANDER,R.HUBER,W.BODE,J.VENDRELL,T.A.HOLAK, JRNL AUTH 3 F.X.AVILES JRNL TITL STRUCTURE OF A NOVEL LEECH CARBOXYPEPTIDASE JRNL TITL 2 INHIBITOR DETERMINED FREE IN SOLUTION AND IN JRNL TITL 3 COMPLEX WITH HUMAN CARBOXYPEPTIDASE A2. JRNL REF NAT.STRUCT.BIOL. V. 7 322 2000 JRNL REFN ISSN 1072-8368 JRNL PMID 10742178 JRNL DOI 10.1038/74092 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DTV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JAN-00. REMARK 100 THE RCSB ID CODE IS RCSB010361. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 20MM TRIS REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM IN 20 MM PHOSPHATE REMARK 210 BUFFER, PH 6.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O GLN A 13 OH TYR A 65 2.19 REMARK 500 REMARK 500 REMARK: NULL 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 TYR A 65 CB - CG - CD2 ANGL. DEV. = -3.8 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 SER A 2 -160.47 -112.05 REMARK 500 GLU A 7 -169.67 -118.17 REMARK 500 PRO A 14 -9.05 -57.26 REMARK 500 ASP A 15 15.63 -143.94 REMARK 500 ALA A 25 -148.87 -145.70 REMARK 500 PRO A 38 -129.47 -69.12 REMARK 500 THR A 39 107.44 -162.35 REMARK 500 ALA A 40 -172.27 -67.82 REMARK 500 SER A 54 -90.60 -20.81 REMARK 500 TYR A 65 -110.36 -109.95 REMARK 500 VAL A 66 26.44 -76.24 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 23 0.18 SIDE_CHAIN REMARK 500 ARG A 44 0.16 SIDE_CHAIN REMARK 500 ARG A 59 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1DTV A 1 67 UNP P81511 MCPI_HIRME 15 81 SEQADV 1DTV GLY A 1 UNP P81511 SER 15 CONFLICT SEQRES 1 A 67 GLY SER HIS THR PRO ASP GLU SER PHE LEU CYS TYR GLN SEQRES 2 A 67 PRO ASP GLN VAL CYS CYS PHE ILE CYS ARG GLY ALA ALA SEQRES 3 A 67 PRO LEU PRO SER GLU GLY GLU CYS ASN PRO HIS PRO THR SEQRES 4 A 67 ALA PRO TRP CYS ARG GLU GLY ALA VAL GLU TRP VAL PRO SEQRES 5 A 67 TYR SER THR GLY GLN CYS ARG THR THR CYS ILE PRO TYR SEQRES 6 A 67 VAL GLU HELIX 1 1 ALA A 40 ALA A 47 1 8 SHEET 1 A 5 GLU A 33 PRO A 36 0 SHEET 2 A 5 GLU A 7 GLN A 13 -1 N LEU A 10 O ASN A 35 SHEET 3 A 5 GLN A 16 CYS A 22 -1 O GLN A 16 N GLN A 13 SHEET 4 A 5 GLY A 56 ILE A 63 -1 N ARG A 59 O ILE A 21 SHEET 5 A 5 PRO A 52 TYR A 53 -1 N TYR A 53 O GLY A 56 SSBOND *** CYS A 11 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 18 CYS A 62 1555 1555 2.03 SSBOND *** CYS A 19 CYS A 43 1555 1555 2.01 SSBOND *** CYS A 22 CYS A 58 1555 1555 2.01 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 Set 1.1: A 12 TYR OH : rot 180:sc= -0.312 USER MOD Set 1.2: A 37 HIS : no HD1:sc= -9.9! C(o=-10!,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-0.81) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 99:sc= -1.83! USER MOD Single : A 13 GLN : amide:sc= -0.0871 K(o=-0.087,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.65! C(o=-2.7!,f=-2.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 53 TYR OH : rot -138:sc= 0.00496 USER MOD Single : A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 55 THR OG1 : rot 75:sc= -5.6! USER MOD Single : A 57 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.3!) USER MOD Single : A 60 THR OG1 : rot 131:sc= 0.0801 USER MOD Single : A 61 THR OG1 : rot -103:sc= -4.88! USER MOD Single : A 65 TYR OH : rot 51:sc= -2.03! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.863 22.135 1.476 1.00 0.00 N ATOM 2 CA GLY A 1 39.522 23.470 1.819 1.00 0.00 C ATOM 3 C GLY A 1 40.830 23.478 2.535 1.00 0.00 C ATOM 4 O GLY A 1 41.621 24.390 2.392 1.00 0.00 O ATOM 0 H1 GLY A 1 37.964 22.308 0.982 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.495 21.583 0.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.680 21.603 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.656 24.018 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.815 24.038 2.423 1.00 0.00 H new ATOM 10 N SER A 2 41.093 22.471 3.322 1.00 0.00 N ATOM 11 CA SER A 2 42.384 22.427 4.066 1.00 0.00 C ATOM 12 C SER A 2 43.251 21.290 3.523 1.00 0.00 C ATOM 13 O SER A 2 43.051 20.811 2.425 1.00 0.00 O ATOM 14 CB SER A 2 42.107 22.194 5.552 1.00 0.00 C ATOM 15 OG SER A 2 41.190 23.176 6.018 1.00 0.00 O ATOM 0 H SER A 2 40.471 21.678 3.482 1.00 0.00 H new ATOM 0 HA SER A 2 42.909 23.374 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 41.698 21.196 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 43.036 22.248 6.120 1.00 0.00 H new ATOM 0 HG SER A 2 41.009 23.029 6.970 1.00 0.00 H new ATOM 21 N HIS A 3 44.216 20.858 4.285 1.00 0.00 N ATOM 22 CA HIS A 3 45.104 19.756 3.819 1.00 0.00 C ATOM 23 C HIS A 3 44.326 18.439 3.803 1.00 0.00 C ATOM 24 O HIS A 3 43.804 18.006 4.812 1.00 0.00 O ATOM 25 CB HIS A 3 46.295 19.634 4.773 1.00 0.00 C ATOM 26 CG HIS A 3 46.703 21.005 5.238 1.00 0.00 C ATOM 27 ND1 HIS A 3 46.353 21.498 6.485 1.00 0.00 N ATOM 28 CD2 HIS A 3 47.426 22.001 4.630 1.00 0.00 C ATOM 29 CE1 HIS A 3 46.861 22.740 6.586 1.00 0.00 C ATOM 30 NE2 HIS A 3 47.525 23.096 5.483 1.00 0.00 N ATOM 0 H HIS A 3 44.429 21.222 5.214 1.00 0.00 H new ATOM 0 HA HIS A 3 45.459 19.975 2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.029 19.012 5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.129 19.145 4.270 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.853 21.943 3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.746 23.372 7.454 1.00 0.00 H new ATOM 0 HE2 HIS A 3 48.002 23.980 5.304 1.00 0.00 H new ATOM 38 N THR A 4 44.243 17.793 2.669 1.00 0.00 N ATOM 39 CA THR A 4 43.499 16.504 2.608 1.00 0.00 C ATOM 40 C THR A 4 44.352 15.411 3.266 1.00 0.00 C ATOM 41 O THR A 4 45.530 15.299 2.986 1.00 0.00 O ATOM 42 CB THR A 4 43.183 16.154 1.133 1.00 0.00 C ATOM 43 OG1 THR A 4 41.813 15.793 1.028 1.00 0.00 O ATOM 44 CG2 THR A 4 44.049 14.987 0.629 1.00 0.00 C ATOM 0 H THR A 4 44.656 18.101 1.789 1.00 0.00 H new ATOM 0 HA THR A 4 42.554 16.585 3.144 1.00 0.00 H new ATOM 0 HB THR A 4 43.402 17.029 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 4 41.604 15.571 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 4 43.799 14.770 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 4 45.102 15.259 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 4 43.860 14.104 1.239 1.00 0.00 H new ATOM 52 N PRO A 5 43.737 14.636 4.118 1.00 0.00 N ATOM 53 CA PRO A 5 44.428 13.546 4.822 1.00 0.00 C ATOM 54 C PRO A 5 44.644 12.365 3.877 1.00 0.00 C ATOM 55 O PRO A 5 43.896 12.163 2.940 1.00 0.00 O ATOM 56 CB PRO A 5 43.463 13.180 5.956 1.00 0.00 C ATOM 57 CG PRO A 5 42.065 13.674 5.515 1.00 0.00 C ATOM 58 CD PRO A 5 42.303 14.764 4.454 1.00 0.00 C ATOM 0 HA PRO A 5 45.415 13.824 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 5 43.458 12.104 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.765 13.652 6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.475 12.854 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 5 41.509 14.073 6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.673 14.611 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 5 42.072 15.756 4.843 1.00 0.00 H new ATOM 66 N ASP A 6 45.647 11.569 4.121 1.00 0.00 N ATOM 67 CA ASP A 6 45.893 10.411 3.270 1.00 0.00 C ATOM 68 C ASP A 6 45.510 9.194 4.077 1.00 0.00 C ATOM 69 O ASP A 6 45.553 9.190 5.291 1.00 0.00 O ATOM 70 CB ASP A 6 47.376 10.341 2.894 1.00 0.00 C ATOM 71 CG ASP A 6 48.201 10.001 4.136 1.00 0.00 C ATOM 72 OD1 ASP A 6 48.032 8.910 4.655 1.00 0.00 O ATOM 73 OD2 ASP A 6 48.988 10.837 4.547 1.00 0.00 O ATOM 0 H ASP A 6 46.307 11.688 4.889 1.00 0.00 H new ATOM 0 HA ASP A 6 45.316 10.472 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 6 47.532 9.586 2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 6 47.702 11.294 2.477 1.00 0.00 H new ATOM 78 N GLU A 7 45.141 8.175 3.416 1.00 0.00 N ATOM 79 CA GLU A 7 44.752 6.946 4.107 1.00 0.00 C ATOM 80 C GLU A 7 45.705 5.863 3.681 1.00 0.00 C ATOM 81 O GLU A 7 46.687 6.096 3.003 1.00 0.00 O ATOM 82 CB GLU A 7 43.332 6.536 3.700 1.00 0.00 C ATOM 83 CG GLU A 7 42.455 6.409 4.948 1.00 0.00 C ATOM 84 CD GLU A 7 42.627 7.648 5.828 1.00 0.00 C ATOM 85 OE1 GLU A 7 42.580 8.743 5.291 1.00 0.00 O ATOM 86 OE2 GLU A 7 42.801 7.482 7.024 1.00 0.00 O ATOM 0 H GLU A 7 45.088 8.133 2.398 1.00 0.00 H new ATOM 0 HA GLU A 7 44.780 7.101 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 7 42.910 7.276 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 7 43.357 5.588 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 7 41.410 6.298 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 7 42.728 5.514 5.507 1.00 0.00 H new ATOM 93 N SER A 8 45.383 4.682 4.032 1.00 0.00 N ATOM 94 CA SER A 8 46.206 3.542 3.634 1.00 0.00 C ATOM 95 C SER A 8 45.317 2.337 3.522 1.00 0.00 C ATOM 96 O SER A 8 44.506 2.054 4.372 1.00 0.00 O ATOM 97 CB SER A 8 47.303 3.243 4.642 1.00 0.00 C ATOM 98 OG SER A 8 46.724 2.827 5.871 1.00 0.00 O ATOM 0 H SER A 8 44.564 4.448 4.593 1.00 0.00 H new ATOM 0 HA SER A 8 46.684 3.784 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 8 47.961 2.464 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 8 47.917 4.130 4.800 1.00 0.00 H new ATOM 0 HG SER A 8 46.750 1.849 5.930 1.00 0.00 H new ATOM 104 N PHE A 9 45.498 1.616 2.494 1.00 0.00 N ATOM 105 CA PHE A 9 44.721 0.390 2.303 1.00 0.00 C ATOM 106 C PHE A 9 45.708 -0.720 2.170 1.00 0.00 C ATOM 107 O PHE A 9 46.614 -0.674 1.378 1.00 0.00 O ATOM 108 CB PHE A 9 43.877 0.439 1.037 1.00 0.00 C ATOM 109 CG PHE A 9 43.164 1.741 1.001 1.00 0.00 C ATOM 110 CD1 PHE A 9 43.847 2.866 0.567 1.00 0.00 C ATOM 111 CD2 PHE A 9 41.837 1.825 1.423 1.00 0.00 C ATOM 112 CE1 PHE A 9 43.210 4.101 0.551 1.00 0.00 C ATOM 113 CE2 PHE A 9 41.186 3.062 1.406 1.00 0.00 C ATOM 114 CZ PHE A 9 41.881 4.207 0.968 1.00 0.00 C ATOM 0 H PHE A 9 46.168 1.822 1.753 1.00 0.00 H new ATOM 0 HA PHE A 9 44.041 0.257 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 9 44.508 0.328 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 9 43.164 -0.385 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 44.873 2.783 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 9 41.316 0.941 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 9 43.742 4.979 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 9 40.158 3.140 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 9 41.386 5.167 0.955 1.00 0.00 H new ATOM 124 N LEU A 10 45.533 -1.709 2.927 1.00 0.00 N ATOM 125 CA LEU A 10 46.437 -2.843 2.858 1.00 0.00 C ATOM 126 C LEU A 10 45.790 -3.848 1.941 1.00 0.00 C ATOM 127 O LEU A 10 44.692 -4.325 2.184 1.00 0.00 O ATOM 128 CB LEU A 10 46.617 -3.440 4.253 1.00 0.00 C ATOM 129 CG LEU A 10 48.080 -3.806 4.482 1.00 0.00 C ATOM 130 CD1 LEU A 10 48.369 -4.014 5.960 1.00 0.00 C ATOM 131 CD2 LEU A 10 48.417 -5.071 3.717 1.00 0.00 C ATOM 0 H LEU A 10 44.783 -1.792 3.614 1.00 0.00 H new ATOM 0 HA LEU A 10 47.420 -2.552 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 10 46.291 -2.725 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 10 45.991 -4.326 4.361 1.00 0.00 H new ATOM 0 HG LEU A 10 48.697 -2.982 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 10 49.419 -4.274 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 10 48.151 -3.096 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 10 47.745 -4.821 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 10 49.463 -5.329 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 10 47.782 -5.886 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 10 48.248 -4.908 2.653 1.00 0.00 H new ATOM 143 N CYS A 11 46.464 -4.175 0.893 1.00 0.00 N ATOM 144 CA CYS A 11 45.918 -5.165 -0.038 1.00 0.00 C ATOM 145 C CYS A 11 46.426 -6.476 0.510 1.00 0.00 C ATOM 146 O CYS A 11 47.605 -6.644 0.745 1.00 0.00 O ATOM 147 CB CYS A 11 46.455 -4.946 -1.454 1.00 0.00 C ATOM 148 SG CYS A 11 45.588 -3.572 -2.271 1.00 0.00 S ATOM 0 H CYS A 11 47.376 -3.795 0.642 1.00 0.00 H new ATOM 0 HA CYS A 11 44.832 -5.114 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 11 47.523 -4.734 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 11 46.333 -5.858 -2.039 1.00 0.00 H new ATOM 153 N TYR A 12 45.559 -7.370 0.812 1.00 0.00 N ATOM 154 CA TYR A 12 46.014 -8.608 1.449 1.00 0.00 C ATOM 155 C TYR A 12 45.911 -9.802 0.505 1.00 0.00 C ATOM 156 O TYR A 12 45.001 -9.932 -0.308 1.00 0.00 O ATOM 157 CB TYR A 12 45.150 -8.851 2.695 1.00 0.00 C ATOM 158 CG TYR A 12 45.867 -8.338 3.923 1.00 0.00 C ATOM 159 CD1 TYR A 12 45.955 -6.962 4.176 1.00 0.00 C ATOM 160 CD2 TYR A 12 46.466 -9.244 4.798 1.00 0.00 C ATOM 161 CE1 TYR A 12 46.639 -6.510 5.310 1.00 0.00 C ATOM 162 CE2 TYR A 12 47.153 -8.791 5.925 1.00 0.00 C ATOM 163 CZ TYR A 12 47.240 -7.423 6.183 1.00 0.00 C ATOM 164 OH TYR A 12 47.920 -6.970 7.296 1.00 0.00 O ATOM 0 H TYR A 12 44.555 -7.300 0.646 1.00 0.00 H new ATOM 0 HA TYR A 12 47.064 -8.501 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.189 -8.347 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.942 -9.915 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 12 45.498 -6.255 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 12 46.398 -10.304 4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 12 46.703 -5.451 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 12 47.617 -9.499 6.596 1.00 0.00 H new ATOM 0 HH TYR A 12 48.276 -7.734 7.796 1.00 0.00 H new ATOM 174 N GLN A 13 46.877 -10.665 0.657 1.00 0.00 N ATOM 175 CA GLN A 13 46.996 -11.919 -0.129 1.00 0.00 C ATOM 176 C GLN A 13 47.379 -12.985 0.898 1.00 0.00 C ATOM 177 O GLN A 13 48.096 -12.681 1.823 1.00 0.00 O ATOM 178 CB GLN A 13 48.124 -11.748 -1.159 1.00 0.00 C ATOM 179 CG GLN A 13 48.105 -12.890 -2.175 1.00 0.00 C ATOM 180 CD GLN A 13 49.009 -12.530 -3.356 1.00 0.00 C ATOM 181 OE1 GLN A 13 49.335 -11.377 -3.557 1.00 0.00 O ATOM 182 NE2 GLN A 13 49.432 -13.474 -4.153 1.00 0.00 N ATOM 0 H GLN A 13 47.629 -10.539 1.335 1.00 0.00 H new ATOM 0 HA GLN A 13 46.083 -12.180 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 48.011 -10.794 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 13 49.088 -11.723 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 13 48.448 -13.813 -1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 13 47.087 -13.067 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 13 49.159 -14.443 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 13 50.035 -13.243 -4.943 1.00 0.00 H new ATOM 191 N PRO A 14 46.916 -14.190 0.748 1.00 0.00 N ATOM 192 CA PRO A 14 47.227 -15.241 1.732 1.00 0.00 C ATOM 193 C PRO A 14 48.739 -15.438 1.892 1.00 0.00 C ATOM 194 O PRO A 14 49.189 -16.114 2.796 1.00 0.00 O ATOM 195 CB PRO A 14 46.478 -16.471 1.202 1.00 0.00 C ATOM 196 CG PRO A 14 46.185 -16.185 -0.287 1.00 0.00 C ATOM 197 CD PRO A 14 46.117 -14.648 -0.405 1.00 0.00 C ATOM 0 HA PRO A 14 46.907 -15.000 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 14 47.080 -17.372 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 14 45.554 -16.634 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 14 46.967 -16.594 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 14 45.247 -16.645 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 14 46.533 -14.297 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 14 45.091 -14.284 -0.355 1.00 0.00 H new ATOM 205 N ASP A 15 49.530 -14.826 1.054 1.00 0.00 N ATOM 206 CA ASP A 15 51.005 -14.955 1.203 1.00 0.00 C ATOM 207 C ASP A 15 51.694 -13.635 0.834 1.00 0.00 C ATOM 208 O ASP A 15 52.887 -13.595 0.613 1.00 0.00 O ATOM 209 CB ASP A 15 51.538 -16.089 0.312 1.00 0.00 C ATOM 210 CG ASP A 15 50.467 -16.519 -0.697 1.00 0.00 C ATOM 211 OD1 ASP A 15 50.284 -15.812 -1.674 1.00 0.00 O ATOM 212 OD2 ASP A 15 49.848 -17.546 -0.473 1.00 0.00 O ATOM 0 H ASP A 15 49.219 -14.245 0.276 1.00 0.00 H new ATOM 0 HA ASP A 15 51.226 -15.192 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 15 52.432 -15.757 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 15 51.829 -16.939 0.929 1.00 0.00 H new ATOM 217 N GLN A 16 50.969 -12.553 0.762 1.00 0.00 N ATOM 218 CA GLN A 16 51.620 -11.261 0.410 1.00 0.00 C ATOM 219 C GLN A 16 50.714 -10.105 0.823 1.00 0.00 C ATOM 220 O GLN A 16 49.511 -10.169 0.680 1.00 0.00 O ATOM 221 CB GLN A 16 51.882 -11.208 -1.097 1.00 0.00 C ATOM 222 CG GLN A 16 53.391 -11.148 -1.341 1.00 0.00 C ATOM 223 CD GLN A 16 53.665 -11.037 -2.842 1.00 0.00 C ATOM 224 OE1 GLN A 16 54.217 -11.940 -3.438 1.00 0.00 O ATOM 225 NE2 GLN A 16 53.301 -9.960 -3.481 1.00 0.00 N ATOM 0 H GLN A 16 49.964 -12.507 0.930 1.00 0.00 H new ATOM 0 HA GLN A 16 52.570 -11.178 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 16 51.457 -12.086 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 16 51.396 -10.335 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.820 -10.293 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.870 -12.041 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 16 52.837 -9.202 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 16 53.480 -9.876 -4.482 1.00 0.00 H new ATOM 234 N VAL A 17 51.276 -9.047 1.329 1.00 0.00 N ATOM 235 CA VAL A 17 50.437 -7.896 1.742 1.00 0.00 C ATOM 236 C VAL A 17 51.116 -6.618 1.327 1.00 0.00 C ATOM 237 O VAL A 17 52.223 -6.325 1.719 1.00 0.00 O ATOM 238 CB VAL A 17 50.213 -7.866 3.253 1.00 0.00 C ATOM 239 CG1 VAL A 17 48.968 -8.615 3.569 1.00 0.00 C ATOM 240 CG2 VAL A 17 51.358 -8.501 4.017 1.00 0.00 C ATOM 0 H VAL A 17 52.279 -8.931 1.474 1.00 0.00 H new ATOM 0 HA VAL A 17 49.466 -7.999 1.257 1.00 0.00 H new ATOM 0 HB VAL A 17 50.141 -6.821 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 17 48.798 -8.600 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 17 48.124 -8.148 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 49.068 -9.647 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 17 51.152 -8.455 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 17 51.465 -9.542 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 17 52.281 -7.963 3.802 1.00 0.00 H new ATOM 250 N CYS A 18 50.454 -5.849 0.541 1.00 0.00 N ATOM 251 CA CYS A 18 51.063 -4.577 0.095 1.00 0.00 C ATOM 252 C CYS A 18 50.292 -3.421 0.695 1.00 0.00 C ATOM 253 O CYS A 18 49.109 -3.316 0.529 1.00 0.00 O ATOM 254 CB CYS A 18 51.021 -4.464 -1.430 1.00 0.00 C ATOM 255 SG CYS A 18 51.458 -6.045 -2.229 1.00 0.00 S ATOM 0 H CYS A 18 49.518 -6.038 0.184 1.00 0.00 H new ATOM 0 HA CYS A 18 52.102 -4.553 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 18 50.023 -4.159 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 18 51.711 -3.686 -1.758 1.00 0.00 H new ATOM 260 N CYS A 19 50.939 -2.544 1.390 1.00 0.00 N ATOM 261 CA CYS A 19 50.185 -1.420 1.979 1.00 0.00 C ATOM 262 C CYS A 19 50.380 -0.188 1.101 1.00 0.00 C ATOM 263 O CYS A 19 51.456 0.084 0.620 1.00 0.00 O ATOM 264 CB CYS A 19 50.682 -1.193 3.408 1.00 0.00 C ATOM 265 SG CYS A 19 51.999 0.053 3.448 1.00 0.00 S ATOM 0 H CYS A 19 51.942 -2.554 1.574 1.00 0.00 H new ATOM 0 HA CYS A 19 49.117 -1.636 2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 19 49.853 -0.871 4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 19 51.052 -2.131 3.822 1.00 0.00 H new ATOM 270 N PHE A 20 49.336 0.543 0.879 1.00 0.00 N ATOM 271 CA PHE A 20 49.446 1.744 0.012 1.00 0.00 C ATOM 272 C PHE A 20 48.829 2.953 0.705 1.00 0.00 C ATOM 273 O PHE A 20 47.782 2.867 1.288 1.00 0.00 O ATOM 274 CB PHE A 20 48.649 1.573 -1.302 1.00 0.00 C ATOM 275 CG PHE A 20 48.593 0.149 -1.830 1.00 0.00 C ATOM 276 CD1 PHE A 20 48.176 -0.920 -1.025 1.00 0.00 C ATOM 277 CD2 PHE A 20 48.886 -0.084 -3.181 1.00 0.00 C ATOM 278 CE1 PHE A 20 48.055 -2.190 -1.566 1.00 0.00 C ATOM 279 CE2 PHE A 20 48.777 -1.366 -3.713 1.00 0.00 C ATOM 280 CZ PHE A 20 48.356 -2.415 -2.905 1.00 0.00 C ATOM 0 H PHE A 20 48.407 0.364 1.259 1.00 0.00 H new ATOM 0 HA PHE A 20 50.509 1.879 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 20 47.631 1.927 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 20 49.092 2.212 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 20 47.949 -0.754 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 20 49.198 0.735 -3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 20 47.725 -3.009 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 20 49.019 -1.544 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 20 48.262 -3.408 -3.318 1.00 0.00 H new ATOM 290 N ILE A 21 49.431 4.093 0.573 1.00 0.00 N ATOM 291 CA ILE A 21 48.822 5.323 1.154 1.00 0.00 C ATOM 292 C ILE A 21 48.335 6.167 -0.012 1.00 0.00 C ATOM 293 O ILE A 21 49.066 6.471 -0.937 1.00 0.00 O ATOM 294 CB ILE A 21 49.831 6.100 2.037 1.00 0.00 C ATOM 295 CG1 ILE A 21 49.327 6.132 3.482 1.00 0.00 C ATOM 296 CG2 ILE A 21 49.980 7.549 1.559 1.00 0.00 C ATOM 297 CD1 ILE A 21 50.488 5.835 4.434 1.00 0.00 C ATOM 0 H ILE A 21 50.318 4.232 0.089 1.00 0.00 H new ATOM 0 HA ILE A 21 47.993 5.063 1.813 1.00 0.00 H new ATOM 0 HB ILE A 21 50.794 5.593 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 21 48.899 7.109 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 21 48.534 5.397 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 21 50.694 8.071 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 21 50.339 7.558 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 21 49.014 8.050 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 21 50.130 5.858 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 21 50.896 4.849 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 21 51.266 6.587 4.304 1.00 0.00 H new ATOM 309 N CYS A 22 47.077 6.486 0.008 1.00 0.00 N ATOM 310 CA CYS A 22 46.490 7.251 -1.121 1.00 0.00 C ATOM 311 C CYS A 22 46.053 8.644 -0.701 1.00 0.00 C ATOM 312 O CYS A 22 45.553 8.850 0.387 1.00 0.00 O ATOM 313 CB CYS A 22 45.244 6.523 -1.582 1.00 0.00 C ATOM 314 SG CYS A 22 45.679 4.885 -2.194 1.00 0.00 S ATOM 0 H CYS A 22 46.427 6.250 0.758 1.00 0.00 H new ATOM 0 HA CYS A 22 47.249 7.335 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 22 44.537 6.436 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 22 44.749 7.094 -2.367 1.00 0.00 H new ATOM 319 N ARG A 23 46.190 9.599 -1.576 1.00 0.00 N ATOM 320 CA ARG A 23 45.717 10.965 -1.222 1.00 0.00 C ATOM 321 C ARG A 23 44.528 11.343 -2.120 1.00 0.00 C ATOM 322 O ARG A 23 44.290 12.494 -2.419 1.00 0.00 O ATOM 323 CB ARG A 23 46.892 11.964 -1.329 1.00 0.00 C ATOM 324 CG ARG A 23 46.823 12.828 -2.600 1.00 0.00 C ATOM 325 CD ARG A 23 46.600 11.959 -3.839 1.00 0.00 C ATOM 326 NE ARG A 23 47.640 12.284 -4.854 1.00 0.00 N ATOM 327 CZ ARG A 23 47.300 12.849 -5.979 1.00 0.00 C ATOM 328 NH1 ARG A 23 46.163 12.547 -6.541 1.00 0.00 N ATOM 329 NH2 ARG A 23 48.096 13.718 -6.541 1.00 0.00 N ATOM 0 H ARG A 23 46.601 9.497 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 23 45.365 10.995 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 23 46.893 12.613 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 23 47.833 11.414 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.014 13.553 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.748 13.395 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 23 46.651 10.903 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 23 45.606 12.136 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 23 48.619 12.065 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 23 45.541 11.869 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 23 45.896 12.988 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 23 48.985 13.955 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 23 47.829 14.159 -7.421 1.00 0.00 H new ATOM 343 N GLY A 24 43.766 10.365 -2.538 1.00 0.00 N ATOM 344 CA GLY A 24 42.584 10.649 -3.402 1.00 0.00 C ATOM 345 C GLY A 24 41.784 9.363 -3.674 1.00 0.00 C ATOM 346 O GLY A 24 40.585 9.399 -3.866 1.00 0.00 O ATOM 0 H GLY A 24 43.913 9.380 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 24 41.943 11.386 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 24 42.914 11.084 -4.346 1.00 0.00 H new ATOM 350 N ALA A 25 42.446 8.232 -3.740 1.00 0.00 N ATOM 351 CA ALA A 25 41.729 6.954 -4.056 1.00 0.00 C ATOM 352 C ALA A 25 42.355 5.765 -3.309 1.00 0.00 C ATOM 353 O ALA A 25 42.879 5.898 -2.224 1.00 0.00 O ATOM 354 CB ALA A 25 41.850 6.703 -5.559 1.00 0.00 C ATOM 0 H ALA A 25 43.450 8.138 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 25 40.688 7.046 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 25 41.336 5.777 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 25 41.398 7.532 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 25 42.902 6.621 -5.831 1.00 0.00 H new ATOM 360 N ALA A 26 42.294 4.601 -3.909 1.00 0.00 N ATOM 361 CA ALA A 26 42.883 3.365 -3.287 1.00 0.00 C ATOM 362 C ALA A 26 43.661 2.613 -4.371 1.00 0.00 C ATOM 363 O ALA A 26 43.756 3.093 -5.474 1.00 0.00 O ATOM 364 CB ALA A 26 41.758 2.473 -2.755 1.00 0.00 C ATOM 0 H ALA A 26 41.855 4.449 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 26 43.543 3.633 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 26 42.186 1.577 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 41.185 3.018 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 26 41.101 2.187 -3.576 1.00 0.00 H new ATOM 370 N PRO A 27 44.192 1.456 -4.050 1.00 0.00 N ATOM 371 CA PRO A 27 44.928 0.647 -5.032 1.00 0.00 C ATOM 372 C PRO A 27 43.936 -0.174 -5.860 1.00 0.00 C ATOM 373 O PRO A 27 42.789 -0.326 -5.491 1.00 0.00 O ATOM 374 CB PRO A 27 45.787 -0.272 -4.171 1.00 0.00 C ATOM 375 CG PRO A 27 45.088 -0.355 -2.793 1.00 0.00 C ATOM 376 CD PRO A 27 44.143 0.855 -2.700 1.00 0.00 C ATOM 0 HA PRO A 27 45.518 1.241 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 27 45.873 -1.260 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 27 46.798 0.122 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 27 44.532 -1.288 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 45.821 -0.336 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 27 43.130 0.550 -2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 27 44.473 1.561 -1.937 1.00 0.00 H new ATOM 384 N LEU A 28 44.361 -0.709 -6.971 1.00 0.00 N ATOM 385 CA LEU A 28 43.427 -1.521 -7.800 1.00 0.00 C ATOM 386 C LEU A 28 43.628 -2.990 -7.399 1.00 0.00 C ATOM 387 O LEU A 28 44.681 -3.549 -7.633 1.00 0.00 O ATOM 388 CB LEU A 28 43.739 -1.314 -9.295 1.00 0.00 C ATOM 389 CG LEU A 28 43.041 -0.047 -9.817 1.00 0.00 C ATOM 390 CD1 LEU A 28 44.088 0.966 -10.289 1.00 0.00 C ATOM 391 CD2 LEU A 28 42.139 -0.381 -10.994 1.00 0.00 C ATOM 0 H LEU A 28 45.308 -0.620 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 28 42.392 -1.222 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 28 44.816 -1.230 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.407 -2.181 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 28 42.446 0.371 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 43.588 1.861 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.739 1.231 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 44.684 0.527 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.654 0.528 -11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.735 -0.813 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.381 -1.098 -10.679 1.00 0.00 H new ATOM 403 N PRO A 29 42.630 -3.561 -6.765 1.00 0.00 N ATOM 404 CA PRO A 29 42.696 -4.951 -6.270 1.00 0.00 C ATOM 405 C PRO A 29 42.605 -5.967 -7.407 1.00 0.00 C ATOM 406 O PRO A 29 41.544 -6.235 -7.934 1.00 0.00 O ATOM 407 CB PRO A 29 41.485 -5.061 -5.339 1.00 0.00 C ATOM 408 CG PRO A 29 40.501 -3.952 -5.774 1.00 0.00 C ATOM 409 CD PRO A 29 41.343 -2.885 -6.496 1.00 0.00 C ATOM 0 HA PRO A 29 43.641 -5.167 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 29 41.022 -6.045 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 29 41.782 -4.931 -4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 29 39.732 -4.352 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 29 39.990 -3.525 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 29 40.865 -2.557 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 29 41.480 -1.999 -5.876 1.00 0.00 H new ATOM 417 N SER A 30 43.714 -6.543 -7.777 1.00 0.00 N ATOM 418 CA SER A 30 43.699 -7.554 -8.870 1.00 0.00 C ATOM 419 C SER A 30 44.464 -8.813 -8.437 1.00 0.00 C ATOM 420 O SER A 30 44.598 -9.755 -9.192 1.00 0.00 O ATOM 421 CB SER A 30 44.354 -6.964 -10.118 1.00 0.00 C ATOM 422 OG SER A 30 43.514 -7.190 -11.242 1.00 0.00 O ATOM 0 H SER A 30 44.631 -6.357 -7.370 1.00 0.00 H new ATOM 0 HA SER A 30 42.666 -7.824 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 30 44.521 -5.895 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 45.330 -7.421 -10.281 1.00 0.00 H new ATOM 0 HG SER A 30 43.931 -6.811 -12.044 1.00 0.00 H new ATOM 428 N GLU A 31 44.966 -8.841 -7.230 1.00 0.00 N ATOM 429 CA GLU A 31 45.714 -10.039 -6.760 1.00 0.00 C ATOM 430 C GLU A 31 45.204 -10.444 -5.375 1.00 0.00 C ATOM 431 O GLU A 31 45.800 -11.261 -4.700 1.00 0.00 O ATOM 432 CB GLU A 31 47.204 -9.702 -6.676 1.00 0.00 C ATOM 433 CG GLU A 31 47.399 -8.485 -5.771 1.00 0.00 C ATOM 434 CD GLU A 31 48.784 -8.546 -5.126 1.00 0.00 C ATOM 435 OE1 GLU A 31 49.759 -8.451 -5.853 1.00 0.00 O ATOM 436 OE2 GLU A 31 48.847 -8.684 -3.915 1.00 0.00 O ATOM 0 H GLU A 31 44.889 -8.084 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 31 45.564 -10.863 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 31 47.759 -10.554 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 31 47.598 -9.496 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 31 47.296 -7.567 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 31 46.628 -8.464 -5.001 1.00 0.00 H new ATOM 443 N GLY A 32 44.106 -9.884 -4.943 1.00 0.00 N ATOM 444 CA GLY A 32 43.569 -10.245 -3.604 1.00 0.00 C ATOM 445 C GLY A 32 42.505 -9.232 -3.189 1.00 0.00 C ATOM 446 O GLY A 32 41.504 -9.059 -3.855 1.00 0.00 O ATOM 0 H GLY A 32 43.561 -9.194 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 43.141 -11.247 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 32 44.375 -10.262 -2.870 1.00 0.00 H new ATOM 450 N GLU A 33 42.712 -8.560 -2.090 1.00 0.00 N ATOM 451 CA GLU A 33 41.699 -7.555 -1.634 1.00 0.00 C ATOM 452 C GLU A 33 42.410 -6.414 -0.908 1.00 0.00 C ATOM 453 O GLU A 33 43.575 -6.498 -0.645 1.00 0.00 O ATOM 454 CB GLU A 33 40.701 -8.222 -0.685 1.00 0.00 C ATOM 455 CG GLU A 33 41.445 -9.153 0.274 1.00 0.00 C ATOM 456 CD GLU A 33 40.485 -9.634 1.364 1.00 0.00 C ATOM 457 OE1 GLU A 33 40.103 -8.820 2.190 1.00 0.00 O ATOM 458 OE2 GLU A 33 40.147 -10.805 1.354 1.00 0.00 O ATOM 0 H GLU A 33 43.530 -8.659 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 33 41.164 -7.162 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 40.157 -7.464 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 33 39.963 -8.786 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 33 41.850 -10.006 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 33 42.290 -8.631 0.723 1.00 0.00 H new ATOM 465 N CYS A 34 41.721 -5.347 -0.590 1.00 0.00 N ATOM 466 CA CYS A 34 42.378 -4.210 0.136 1.00 0.00 C ATOM 467 C CYS A 34 41.363 -3.494 0.995 1.00 0.00 C ATOM 468 O CYS A 34 40.195 -3.399 0.679 1.00 0.00 O ATOM 469 CB CYS A 34 42.985 -3.211 -0.822 1.00 0.00 C ATOM 470 SG CYS A 34 43.633 -4.075 -2.271 1.00 0.00 S ATOM 0 H CYS A 34 40.732 -5.211 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 34 43.172 -4.633 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 34 42.234 -2.482 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 34 43.784 -2.658 -0.328 1.00 0.00 H new ATOM 475 N ASN A 35 41.827 -3.003 2.090 1.00 0.00 N ATOM 476 CA ASN A 35 40.924 -2.276 3.047 1.00 0.00 C ATOM 477 C ASN A 35 41.725 -1.280 3.881 1.00 0.00 C ATOM 478 O ASN A 35 42.928 -1.322 3.886 1.00 0.00 O ATOM 479 CB ASN A 35 40.265 -3.317 3.965 1.00 0.00 C ATOM 480 CG ASN A 35 38.863 -3.644 3.449 1.00 0.00 C ATOM 481 OD1 ASN A 35 38.547 -3.386 2.306 1.00 0.00 O ATOM 482 ND2 ASN A 35 38.002 -4.204 4.253 1.00 0.00 N ATOM 0 H ASN A 35 42.802 -3.065 2.383 1.00 0.00 H new ATOM 0 HA ASN A 35 40.165 -1.722 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 35 40.871 -4.222 3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 35 40.208 -2.934 4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 35 37.063 -4.425 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 35 38.268 -4.421 5.214 1.00 0.00 H new ATOM 489 N PRO A 36 41.031 -0.410 4.579 1.00 0.00 N ATOM 490 CA PRO A 36 41.683 0.601 5.431 1.00 0.00 C ATOM 491 C PRO A 36 42.502 -0.053 6.550 1.00 0.00 C ATOM 492 O PRO A 36 42.043 -0.917 7.270 1.00 0.00 O ATOM 493 CB PRO A 36 40.517 1.450 5.955 1.00 0.00 C ATOM 494 CG PRO A 36 39.250 0.585 5.787 1.00 0.00 C ATOM 495 CD PRO A 36 39.550 -0.360 4.608 1.00 0.00 C ATOM 0 HA PRO A 36 42.410 1.210 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 36 40.670 1.719 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 36 40.430 2.381 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 36 39.035 0.023 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 36 38.377 1.204 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 36 39.117 -1.348 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.142 0.022 3.672 1.00 0.00 H new ATOM 503 N HIS A 37 43.734 0.359 6.656 1.00 0.00 N ATOM 504 CA HIS A 37 44.680 -0.195 7.670 1.00 0.00 C ATOM 505 C HIS A 37 45.448 0.912 8.364 1.00 0.00 C ATOM 506 O HIS A 37 45.746 1.929 7.770 1.00 0.00 O ATOM 507 CB HIS A 37 45.724 -1.037 6.931 1.00 0.00 C ATOM 508 CG HIS A 37 46.002 -2.354 7.595 1.00 0.00 C ATOM 509 ND1 HIS A 37 45.316 -3.511 7.291 1.00 0.00 N ATOM 510 CD2 HIS A 37 46.987 -2.726 8.482 1.00 0.00 C ATOM 511 CE1 HIS A 37 45.902 -4.510 7.965 1.00 0.00 C ATOM 512 NE2 HIS A 37 46.920 -4.089 8.711 1.00 0.00 N ATOM 0 H HIS A 37 44.139 1.082 6.061 1.00 0.00 H new ATOM 0 HA HIS A 37 44.105 -0.766 8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 37 45.381 -1.217 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 37 46.653 -0.471 6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 37 47.704 -2.055 8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 37 45.584 -5.541 7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 37 47.519 -4.648 9.318 1.00 0.00 H new ATOM 520 N PRO A 38 45.853 0.627 9.565 1.00 0.00 N ATOM 521 CA PRO A 38 46.722 1.532 10.307 1.00 0.00 C ATOM 522 C PRO A 38 48.059 1.462 9.560 1.00 0.00 C ATOM 523 O PRO A 38 48.078 1.562 8.349 1.00 0.00 O ATOM 524 CB PRO A 38 46.762 0.914 11.717 1.00 0.00 C ATOM 525 CG PRO A 38 46.370 -0.572 11.536 1.00 0.00 C ATOM 526 CD PRO A 38 45.488 -0.613 10.286 1.00 0.00 C ATOM 0 HA PRO A 38 46.426 2.578 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 38 47.755 1.006 12.156 1.00 0.00 H new ATOM 0 HB3 PRO A 38 46.069 1.423 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 38 47.253 -1.199 11.414 1.00 0.00 H new ATOM 0 HG3 PRO A 38 45.833 -0.945 12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 38 45.686 -1.500 9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 38 44.429 -0.631 10.543 1.00 0.00 H new ATOM 534 N THR A 39 49.161 1.242 10.204 1.00 0.00 N ATOM 535 CA THR A 39 50.415 1.120 9.416 1.00 0.00 C ATOM 536 C THR A 39 51.493 0.448 10.252 1.00 0.00 C ATOM 537 O THR A 39 52.052 1.038 11.155 1.00 0.00 O ATOM 538 CB THR A 39 50.892 2.493 8.945 1.00 0.00 C ATOM 539 OG1 THR A 39 50.175 3.507 9.634 1.00 0.00 O ATOM 540 CG2 THR A 39 50.649 2.621 7.436 1.00 0.00 C ATOM 0 H THR A 39 49.253 1.143 11.215 1.00 0.00 H new ATOM 0 HA THR A 39 50.213 0.507 8.538 1.00 0.00 H new ATOM 0 HB THR A 39 51.956 2.603 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 39 50.482 4.387 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 39 50.988 3.599 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 39 51.202 1.842 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 39 49.584 2.513 7.228 1.00 0.00 H new ATOM 548 N ALA A 40 51.811 -0.778 9.946 1.00 0.00 N ATOM 549 CA ALA A 40 52.870 -1.464 10.712 1.00 0.00 C ATOM 550 C ALA A 40 54.181 -0.754 10.374 1.00 0.00 C ATOM 551 O ALA A 40 54.158 0.265 9.713 1.00 0.00 O ATOM 552 CB ALA A 40 52.930 -2.934 10.275 1.00 0.00 C ATOM 0 H ALA A 40 51.382 -1.327 9.201 1.00 0.00 H new ATOM 0 HA ALA A 40 52.682 -1.434 11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 40 53.710 -3.449 10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.969 -3.411 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 40 53.154 -2.988 9.210 1.00 0.00 H new ATOM 558 N PRO A 41 55.288 -1.283 10.816 1.00 0.00 N ATOM 559 CA PRO A 41 56.585 -0.661 10.531 1.00 0.00 C ATOM 560 C PRO A 41 57.007 -0.998 9.101 1.00 0.00 C ATOM 561 O PRO A 41 57.737 -0.264 8.465 1.00 0.00 O ATOM 562 CB PRO A 41 57.524 -1.297 11.560 1.00 0.00 C ATOM 563 CG PRO A 41 56.862 -2.629 11.991 1.00 0.00 C ATOM 564 CD PRO A 41 55.370 -2.523 11.622 1.00 0.00 C ATOM 0 HA PRO A 41 56.580 0.427 10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 41 58.509 -1.475 11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 41 57.665 -0.638 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 41 57.327 -3.474 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 41 56.985 -2.793 13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 41 55.037 -3.391 11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 41 54.742 -2.464 12.511 1.00 0.00 H new ATOM 572 N TRP A 42 56.539 -2.104 8.592 1.00 0.00 N ATOM 573 CA TRP A 42 56.890 -2.501 7.210 1.00 0.00 C ATOM 574 C TRP A 42 56.112 -1.655 6.199 1.00 0.00 C ATOM 575 O TRP A 42 56.576 -1.396 5.108 1.00 0.00 O ATOM 576 CB TRP A 42 56.627 -3.981 7.027 1.00 0.00 C ATOM 577 CG TRP A 42 55.166 -4.285 6.966 1.00 0.00 C ATOM 578 CD1 TRP A 42 54.477 -4.812 7.993 1.00 0.00 C ATOM 579 CD2 TRP A 42 54.212 -4.147 5.867 1.00 0.00 C ATOM 580 NE1 TRP A 42 53.169 -5.008 7.614 1.00 0.00 N ATOM 581 CE2 TRP A 42 52.956 -4.622 6.319 1.00 0.00 C ATOM 582 CE3 TRP A 42 54.289 -3.671 4.541 1.00 0.00 C ATOM 583 CZ2 TRP A 42 51.842 -4.632 5.501 1.00 0.00 C ATOM 584 CZ3 TRP A 42 53.163 -3.695 3.726 1.00 0.00 C ATOM 585 CH2 TRP A 42 51.938 -4.179 4.209 1.00 0.00 C ATOM 0 H TRP A 42 55.923 -2.752 9.083 1.00 0.00 H new ATOM 0 HA TRP A 42 57.950 -2.320 7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 42 57.108 -4.324 6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 42 57.079 -4.534 7.850 1.00 0.00 H new ATOM 0 HD1 TRP A 42 54.887 -5.045 8.965 1.00 0.00 H new ATOM 0 HE1 TRP A 42 52.447 -5.393 8.223 1.00 0.00 H new ATOM 0 HE3 TRP A 42 55.224 -3.288 4.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 50.897 -4.996 5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 53.232 -3.337 2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 42 51.071 -4.195 3.565 1.00 0.00 H new ATOM 596 N CYS A 43 54.933 -1.219 6.553 1.00 0.00 N ATOM 597 CA CYS A 43 54.128 -0.394 5.638 1.00 0.00 C ATOM 598 C CYS A 43 54.835 0.914 5.383 1.00 0.00 C ATOM 599 O CYS A 43 55.105 1.297 4.265 1.00 0.00 O ATOM 600 CB CYS A 43 52.808 -0.078 6.329 1.00 0.00 C ATOM 601 SG CYS A 43 51.770 0.925 5.245 1.00 0.00 S ATOM 0 H CYS A 43 54.496 -1.409 7.455 1.00 0.00 H new ATOM 0 HA CYS A 43 53.974 -0.926 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 43 52.292 -1.003 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.994 0.454 7.262 1.00 0.00 H new ATOM 606 N ARG A 44 55.105 1.613 6.431 1.00 0.00 N ATOM 607 CA ARG A 44 55.762 2.926 6.292 1.00 0.00 C ATOM 608 C ARG A 44 57.205 2.745 5.835 1.00 0.00 C ATOM 609 O ARG A 44 57.750 3.562 5.120 1.00 0.00 O ATOM 610 CB ARG A 44 55.744 3.645 7.642 1.00 0.00 C ATOM 611 CG ARG A 44 55.119 5.033 7.486 1.00 0.00 C ATOM 612 CD ARG A 44 55.025 5.704 8.859 1.00 0.00 C ATOM 613 NE ARG A 44 53.801 5.229 9.564 1.00 0.00 N ATOM 614 CZ ARG A 44 53.906 4.607 10.707 1.00 0.00 C ATOM 615 NH1 ARG A 44 54.956 3.871 10.953 1.00 0.00 N ATOM 616 NH2 ARG A 44 52.965 4.722 11.603 1.00 0.00 N ATOM 0 H ARG A 44 54.898 1.330 7.389 1.00 0.00 H new ATOM 0 HA ARG A 44 55.225 3.517 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 44 55.177 3.061 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 44 56.759 3.735 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 44 55.721 5.642 6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 44 54.128 4.950 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 44 55.911 5.472 9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 44 54.994 6.787 8.744 1.00 0.00 H new ATOM 0 HE ARG A 44 52.881 5.390 9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 44 55.692 3.783 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 44 55.040 3.384 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 44 52.146 5.298 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 44 53.048 4.235 12.496 1.00 0.00 H new ATOM 630 N GLU A 45 57.836 1.702 6.275 1.00 0.00 N ATOM 631 CA GLU A 45 59.255 1.485 5.912 1.00 0.00 C ATOM 632 C GLU A 45 59.440 1.051 4.451 1.00 0.00 C ATOM 633 O GLU A 45 60.485 1.280 3.872 1.00 0.00 O ATOM 634 CB GLU A 45 59.879 0.452 6.850 1.00 0.00 C ATOM 635 CG GLU A 45 61.378 0.343 6.567 1.00 0.00 C ATOM 636 CD GLU A 45 62.145 1.252 7.530 1.00 0.00 C ATOM 637 OE1 GLU A 45 62.504 0.784 8.598 1.00 0.00 O ATOM 638 OE2 GLU A 45 62.359 2.402 7.183 1.00 0.00 O ATOM 0 H GLU A 45 57.427 0.985 6.875 1.00 0.00 H new ATOM 0 HA GLU A 45 59.762 2.444 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 45 59.715 0.742 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.401 -0.517 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 45 61.707 -0.689 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.586 0.629 5.536 1.00 0.00 H new ATOM 645 N GLY A 46 58.484 0.403 3.848 1.00 0.00 N ATOM 646 CA GLY A 46 58.697 -0.052 2.443 1.00 0.00 C ATOM 647 C GLY A 46 57.890 0.795 1.456 1.00 0.00 C ATOM 648 O GLY A 46 58.111 0.742 0.262 1.00 0.00 O ATOM 0 H GLY A 46 57.579 0.171 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 46 59.757 0.008 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 46 58.407 -1.099 2.349 1.00 0.00 H new ATOM 652 N ALA A 47 56.962 1.578 1.930 1.00 0.00 N ATOM 653 CA ALA A 47 56.160 2.423 0.986 1.00 0.00 C ATOM 654 C ALA A 47 56.752 3.829 0.965 1.00 0.00 C ATOM 655 O ALA A 47 56.393 4.687 1.747 1.00 0.00 O ATOM 656 CB ALA A 47 54.699 2.474 1.434 1.00 0.00 C ATOM 0 H ALA A 47 56.722 1.673 2.917 1.00 0.00 H new ATOM 0 HA ALA A 47 56.196 1.992 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 47 54.127 3.091 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 47 54.287 1.465 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 54.640 2.903 2.434 1.00 0.00 H new ATOM 662 N VAL A 48 57.676 4.057 0.076 1.00 0.00 N ATOM 663 CA VAL A 48 58.331 5.401 -0.006 1.00 0.00 C ATOM 664 C VAL A 48 58.366 5.894 -1.457 1.00 0.00 C ATOM 665 O VAL A 48 59.393 6.297 -1.963 1.00 0.00 O ATOM 666 CB VAL A 48 59.762 5.305 0.526 1.00 0.00 C ATOM 667 CG1 VAL A 48 60.641 4.575 -0.493 1.00 0.00 C ATOM 668 CG2 VAL A 48 60.310 6.715 0.754 1.00 0.00 C ATOM 0 H VAL A 48 58.010 3.372 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 48 57.756 6.106 0.594 1.00 0.00 H new ATOM 0 HB VAL A 48 59.765 4.753 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 48 61.660 4.508 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 60.249 3.572 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 48 60.641 5.125 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 48 61.330 6.652 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 48 60.306 7.263 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 48 59.685 7.236 1.479 1.00 0.00 H new ATOM 678 N GLU A 49 57.249 5.876 -2.117 1.00 0.00 N ATOM 679 CA GLU A 49 57.184 6.349 -3.519 1.00 0.00 C ATOM 680 C GLU A 49 55.764 6.858 -3.763 1.00 0.00 C ATOM 681 O GLU A 49 55.031 7.075 -2.835 1.00 0.00 O ATOM 682 CB GLU A 49 57.510 5.184 -4.464 1.00 0.00 C ATOM 683 CG GLU A 49 56.322 4.221 -4.529 1.00 0.00 C ATOM 684 CD GLU A 49 56.735 2.952 -5.278 1.00 0.00 C ATOM 685 OE1 GLU A 49 57.915 2.808 -5.552 1.00 0.00 O ATOM 686 OE2 GLU A 49 55.864 2.147 -5.565 1.00 0.00 O ATOM 0 H GLU A 49 56.362 5.547 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 49 57.904 7.146 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 49 57.737 5.564 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 49 58.398 4.657 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 55.988 3.970 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 49 55.481 4.697 -5.034 1.00 0.00 H new ATOM 693 N TRP A 50 55.379 7.023 -4.995 1.00 0.00 N ATOM 694 CA TRP A 50 53.988 7.491 -5.333 1.00 0.00 C ATOM 695 C TRP A 50 53.705 7.156 -6.799 1.00 0.00 C ATOM 696 O TRP A 50 54.602 7.113 -7.618 1.00 0.00 O ATOM 697 CB TRP A 50 53.840 8.999 -5.102 1.00 0.00 C ATOM 698 CG TRP A 50 53.492 9.258 -3.662 1.00 0.00 C ATOM 699 CD1 TRP A 50 54.400 9.427 -2.681 1.00 0.00 C ATOM 700 CD2 TRP A 50 52.181 9.374 -3.015 1.00 0.00 C ATOM 701 NE1 TRP A 50 53.755 9.646 -1.493 1.00 0.00 N ATOM 702 CE2 TRP A 50 52.391 9.629 -1.637 1.00 0.00 C ATOM 703 CE3 TRP A 50 50.848 9.289 -3.467 1.00 0.00 C ATOM 704 CZ2 TRP A 50 51.333 9.793 -0.748 1.00 0.00 C ATOM 705 CZ3 TRP A 50 49.780 9.449 -2.566 1.00 0.00 C ATOM 706 CH2 TRP A 50 50.024 9.702 -1.214 1.00 0.00 C ATOM 0 H TRP A 50 55.975 6.852 -5.805 1.00 0.00 H new ATOM 0 HA TRP A 50 53.273 6.985 -4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 50 54.768 9.509 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 50 53.064 9.402 -5.752 1.00 0.00 H new ATOM 0 HD1 TRP A 50 55.472 9.395 -2.811 1.00 0.00 H new ATOM 0 HE1 TRP A 50 54.233 9.803 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 50 50.646 9.100 -4.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 51.526 9.990 0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 48.763 9.376 -2.922 1.00 0.00 H new ATOM 0 HH2 TRP A 50 49.197 9.827 -0.530 1.00 0.00 H new ATOM 717 N VAL A 51 52.470 6.907 -7.136 1.00 0.00 N ATOM 718 CA VAL A 51 52.141 6.560 -8.551 1.00 0.00 C ATOM 719 C VAL A 51 50.684 6.954 -8.832 1.00 0.00 C ATOM 720 O VAL A 51 49.865 6.935 -7.940 1.00 0.00 O ATOM 721 CB VAL A 51 52.364 5.045 -8.749 1.00 0.00 C ATOM 722 CG1 VAL A 51 51.046 4.271 -8.624 1.00 0.00 C ATOM 723 CG2 VAL A 51 52.971 4.794 -10.131 1.00 0.00 C ATOM 0 H VAL A 51 51.675 6.928 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 51 52.782 7.100 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 51 53.044 4.695 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 51 51.234 3.207 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 51 50.621 4.434 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 51 50.345 4.621 -9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 51 53.128 3.724 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 51 52.292 5.164 -10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 51 53.926 5.314 -10.209 1.00 0.00 H new ATOM 733 N PRO A 52 50.402 7.307 -10.058 1.00 0.00 N ATOM 734 CA PRO A 52 49.049 7.724 -10.457 1.00 0.00 C ATOM 735 C PRO A 52 48.098 6.525 -10.516 1.00 0.00 C ATOM 736 O PRO A 52 48.239 5.629 -11.324 1.00 0.00 O ATOM 737 CB PRO A 52 49.256 8.364 -11.834 1.00 0.00 C ATOM 738 CG PRO A 52 50.587 7.798 -12.381 1.00 0.00 C ATOM 739 CD PRO A 52 51.389 7.311 -11.159 1.00 0.00 C ATOM 0 HA PRO A 52 48.588 8.413 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 52 48.428 8.125 -12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 52 49.299 9.450 -11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 52 50.404 6.979 -13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 52 51.139 8.563 -12.928 1.00 0.00 H new ATOM 0 HD2 PRO A 52 51.805 6.317 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.226 7.974 -10.941 1.00 0.00 H new ATOM 747 N TYR A 53 47.138 6.518 -9.637 1.00 0.00 N ATOM 748 CA TYR A 53 46.150 5.403 -9.572 1.00 0.00 C ATOM 749 C TYR A 53 44.760 5.897 -10.009 1.00 0.00 C ATOM 750 O TYR A 53 44.457 7.069 -9.989 1.00 0.00 O ATOM 751 CB TYR A 53 46.072 4.894 -8.116 1.00 0.00 C ATOM 752 CG TYR A 53 44.793 4.107 -7.894 1.00 0.00 C ATOM 753 CD1 TYR A 53 43.588 4.772 -7.613 1.00 0.00 C ATOM 754 CD2 TYR A 53 44.807 2.713 -7.982 1.00 0.00 C ATOM 755 CE1 TYR A 53 42.408 4.039 -7.426 1.00 0.00 C ATOM 756 CE2 TYR A 53 43.628 1.989 -7.792 1.00 0.00 C ATOM 757 CZ TYR A 53 42.428 2.647 -7.519 1.00 0.00 C ATOM 758 OH TYR A 53 41.268 1.924 -7.333 1.00 0.00 O ATOM 0 H TYR A 53 46.992 7.253 -8.945 1.00 0.00 H new ATOM 0 HA TYR A 53 46.466 4.601 -10.239 1.00 0.00 H new ATOM 0 HB2 TYR A 53 46.935 4.265 -7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 53 46.111 5.738 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 53 43.571 5.849 -7.541 1.00 0.00 H new ATOM 0 HD2 TYR A 53 45.730 2.195 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.483 4.552 -7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 53 43.645 0.911 -7.857 1.00 0.00 H new ATOM 0 HH TYR A 53 41.460 1.132 -6.789 1.00 0.00 H new ATOM 768 N SER A 54 43.935 4.974 -10.412 1.00 0.00 N ATOM 769 CA SER A 54 42.544 5.260 -10.870 1.00 0.00 C ATOM 770 C SER A 54 41.970 6.599 -10.383 1.00 0.00 C ATOM 771 O SER A 54 42.067 7.599 -11.067 1.00 0.00 O ATOM 772 CB SER A 54 41.669 4.125 -10.368 1.00 0.00 C ATOM 773 OG SER A 54 41.395 3.230 -11.438 1.00 0.00 O ATOM 0 H SER A 54 44.180 3.984 -10.444 1.00 0.00 H new ATOM 0 HA SER A 54 42.564 5.337 -11.957 1.00 0.00 H new ATOM 0 HB2 SER A 54 42.170 3.597 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 54 40.738 4.521 -9.963 1.00 0.00 H new ATOM 0 HG SER A 54 40.708 2.589 -11.160 1.00 0.00 H new ATOM 779 N THR A 55 41.308 6.627 -9.250 1.00 0.00 N ATOM 780 CA THR A 55 40.676 7.903 -8.812 1.00 0.00 C ATOM 781 C THR A 55 41.672 8.787 -8.075 1.00 0.00 C ATOM 782 O THR A 55 41.303 9.805 -7.524 1.00 0.00 O ATOM 783 CB THR A 55 39.468 7.619 -7.900 1.00 0.00 C ATOM 784 OG1 THR A 55 39.815 7.896 -6.552 1.00 0.00 O ATOM 785 CG2 THR A 55 39.033 6.154 -8.020 1.00 0.00 C ATOM 0 H THR A 55 41.181 5.833 -8.622 1.00 0.00 H new ATOM 0 HA THR A 55 40.340 8.429 -9.706 1.00 0.00 H new ATOM 0 HB THR A 55 38.641 8.258 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.847 8.866 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 55 38.178 5.974 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 55 38.754 5.941 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 55 39.857 5.504 -7.726 1.00 0.00 H new ATOM 793 N GLY A 56 42.925 8.439 -8.050 1.00 0.00 N ATOM 794 CA GLY A 56 43.877 9.342 -7.321 1.00 0.00 C ATOM 795 C GLY A 56 45.322 8.877 -7.467 1.00 0.00 C ATOM 796 O GLY A 56 45.684 8.280 -8.444 1.00 0.00 O ATOM 0 H GLY A 56 43.327 7.606 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 56 43.781 10.358 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 56 43.610 9.375 -6.265 1.00 0.00 H new ATOM 800 N GLN A 57 46.137 9.164 -6.480 1.00 0.00 N ATOM 801 CA GLN A 57 47.562 8.766 -6.492 1.00 0.00 C ATOM 802 C GLN A 57 47.804 7.921 -5.251 1.00 0.00 C ATOM 803 O GLN A 57 47.454 8.290 -4.140 1.00 0.00 O ATOM 804 CB GLN A 57 48.450 10.007 -6.424 1.00 0.00 C ATOM 805 CG GLN A 57 49.878 9.669 -6.850 1.00 0.00 C ATOM 806 CD GLN A 57 50.106 10.118 -8.294 1.00 0.00 C ATOM 807 OE1 GLN A 57 49.204 10.624 -8.935 1.00 0.00 O ATOM 808 NE2 GLN A 57 51.282 9.960 -8.837 1.00 0.00 N ATOM 0 H GLN A 57 45.854 9.675 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 57 47.795 8.215 -7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 57 48.046 10.786 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 57 48.452 10.405 -5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 57 50.591 10.162 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 57 50.050 8.596 -6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 57 52.039 9.536 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 57 51.445 10.261 -9.798 1.00 0.00 H new ATOM 817 N CYS A 58 48.374 6.789 -5.443 1.00 0.00 N ATOM 818 CA CYS A 58 48.637 5.872 -4.300 1.00 0.00 C ATOM 819 C CYS A 58 50.063 5.327 -4.353 1.00 0.00 C ATOM 820 O CYS A 58 50.560 4.961 -5.399 1.00 0.00 O ATOM 821 CB CYS A 58 47.696 4.670 -4.394 1.00 0.00 C ATOM 822 SG CYS A 58 45.988 5.195 -4.160 1.00 0.00 S ATOM 0 H CYS A 58 48.679 6.442 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 58 48.486 6.434 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 58 47.806 4.188 -5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 58 47.963 3.930 -3.639 1.00 0.00 H new ATOM 827 N ARG A 59 50.691 5.182 -3.219 1.00 0.00 N ATOM 828 CA ARG A 59 52.042 4.559 -3.203 1.00 0.00 C ATOM 829 C ARG A 59 51.910 3.254 -2.473 1.00 0.00 C ATOM 830 O ARG A 59 50.916 3.019 -1.827 1.00 0.00 O ATOM 831 CB ARG A 59 53.125 5.400 -2.554 1.00 0.00 C ATOM 832 CG ARG A 59 52.589 6.421 -1.569 1.00 0.00 C ATOM 833 CD ARG A 59 53.740 6.796 -0.628 1.00 0.00 C ATOM 834 NE ARG A 59 53.201 7.175 0.691 1.00 0.00 N ATOM 835 CZ ARG A 59 54.009 7.430 1.683 1.00 0.00 C ATOM 836 NH1 ARG A 59 54.568 6.450 2.337 1.00 0.00 N ATOM 837 NH2 ARG A 59 54.261 8.666 2.017 1.00 0.00 N ATOM 0 H ARG A 59 50.329 5.466 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 59 52.365 4.440 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 59 53.825 4.742 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 53.687 5.917 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 59 52.218 7.302 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 59 51.751 6.009 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 59 54.425 5.955 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 59 54.312 7.623 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 59 52.192 7.238 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 59 54.373 5.484 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 59 55.200 6.649 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 59 53.826 9.432 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 59 54.893 8.866 2.793 1.00 0.00 H new ATOM 851 N THR A 60 52.856 2.377 -2.585 1.00 0.00 N ATOM 852 CA THR A 60 52.659 1.081 -1.905 1.00 0.00 C ATOM 853 C THR A 60 53.960 0.331 -1.682 1.00 0.00 C ATOM 854 O THR A 60 54.979 0.579 -2.296 1.00 0.00 O ATOM 855 CB THR A 60 51.718 0.225 -2.757 1.00 0.00 C ATOM 856 OG1 THR A 60 51.088 -0.749 -1.934 1.00 0.00 O ATOM 857 CG2 THR A 60 52.499 -0.469 -3.880 1.00 0.00 C ATOM 0 H THR A 60 53.729 2.494 -3.100 1.00 0.00 H new ATOM 0 HA THR A 60 52.234 1.279 -0.921 1.00 0.00 H new ATOM 0 HB THR A 60 50.961 0.868 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 60 50.121 -0.737 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 60 51.817 -1.074 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 60 52.968 0.282 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 60 53.267 -1.109 -3.447 1.00 0.00 H new ATOM 865 N THR A 61 53.886 -0.604 -0.794 1.00 0.00 N ATOM 866 CA THR A 61 55.043 -1.451 -0.450 1.00 0.00 C ATOM 867 C THR A 61 54.514 -2.857 -0.199 1.00 0.00 C ATOM 868 O THR A 61 53.393 -3.007 0.219 1.00 0.00 O ATOM 869 CB THR A 61 55.663 -0.922 0.836 1.00 0.00 C ATOM 870 OG1 THR A 61 56.922 -1.545 1.032 1.00 0.00 O ATOM 871 CG2 THR A 61 54.733 -1.236 2.029 1.00 0.00 C ATOM 0 H THR A 61 53.037 -0.824 -0.273 1.00 0.00 H new ATOM 0 HA THR A 61 55.787 -1.450 -1.247 1.00 0.00 H new ATOM 0 HB THR A 61 55.796 0.158 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 61 56.840 -2.240 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 61 55.179 -0.856 2.948 1.00 0.00 H new ATOM 0 HG22 THR A 61 53.766 -0.759 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 61 54.597 -2.314 2.110 1.00 0.00 H new ATOM 879 N CYS A 62 55.276 -3.890 -0.404 1.00 0.00 N ATOM 880 CA CYS A 62 54.703 -5.225 -0.094 1.00 0.00 C ATOM 881 C CYS A 62 55.650 -5.999 0.795 1.00 0.00 C ATOM 882 O CYS A 62 56.849 -5.800 0.795 1.00 0.00 O ATOM 883 CB CYS A 62 54.378 -6.030 -1.348 1.00 0.00 C ATOM 884 SG CYS A 62 52.843 -6.943 -1.051 1.00 0.00 S ATOM 0 H CYS A 62 56.232 -3.875 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 62 53.761 -5.059 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 62 54.267 -5.368 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 62 55.191 -6.718 -1.579 1.00 0.00 H new ATOM 889 N ILE A 63 55.092 -6.850 1.587 1.00 0.00 N ATOM 890 CA ILE A 63 55.898 -7.626 2.539 1.00 0.00 C ATOM 891 C ILE A 63 55.447 -9.077 2.593 1.00 0.00 C ATOM 892 O ILE A 63 54.327 -9.406 2.255 1.00 0.00 O ATOM 893 CB ILE A 63 55.694 -7.035 3.914 1.00 0.00 C ATOM 894 CG1 ILE A 63 54.209 -7.020 4.234 1.00 0.00 C ATOM 895 CG2 ILE A 63 56.217 -5.617 3.928 1.00 0.00 C ATOM 896 CD1 ILE A 63 54.018 -7.495 5.666 1.00 0.00 C ATOM 0 H ILE A 63 54.091 -7.043 1.614 1.00 0.00 H new ATOM 0 HA ILE A 63 56.940 -7.589 2.222 1.00 0.00 H new ATOM 0 HB ILE A 63 56.226 -7.632 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 63 53.805 -6.015 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 63 53.667 -7.667 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 63 56.072 -5.186 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 63 57.280 -5.619 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 63 55.677 -5.023 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 63 52.956 -7.490 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 63 54.410 -8.507 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 63 54.551 -6.829 6.344 1.00 0.00 H new ATOM 908 N PRO A 64 56.346 -9.889 3.062 1.00 0.00 N ATOM 909 CA PRO A 64 56.117 -11.322 3.243 1.00 0.00 C ATOM 910 C PRO A 64 55.503 -11.547 4.616 1.00 0.00 C ATOM 911 O PRO A 64 56.185 -11.456 5.617 1.00 0.00 O ATOM 912 CB PRO A 64 57.517 -11.903 3.265 1.00 0.00 C ATOM 913 CG PRO A 64 58.440 -10.747 3.732 1.00 0.00 C ATOM 914 CD PRO A 64 57.699 -9.446 3.439 1.00 0.00 C ATOM 0 HA PRO A 64 55.468 -11.753 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 64 57.578 -12.753 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 64 57.808 -12.263 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 64 58.661 -10.835 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 64 59.393 -10.776 3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 64 57.677 -8.793 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 64 58.176 -8.887 2.634 1.00 0.00 H new ATOM 922 N TYR A 65 54.250 -11.840 4.703 1.00 0.00 N ATOM 923 CA TYR A 65 53.689 -12.057 6.061 1.00 0.00 C ATOM 924 C TYR A 65 53.344 -13.518 6.287 1.00 0.00 C ATOM 925 O TYR A 65 54.221 -14.351 6.410 1.00 0.00 O ATOM 926 CB TYR A 65 52.541 -11.072 6.358 1.00 0.00 C ATOM 927 CG TYR A 65 51.257 -11.241 5.559 1.00 0.00 C ATOM 928 CD1 TYR A 65 51.226 -11.336 4.156 1.00 0.00 C ATOM 929 CD2 TYR A 65 50.055 -11.232 6.273 1.00 0.00 C ATOM 930 CE1 TYR A 65 49.994 -11.422 3.501 1.00 0.00 C ATOM 931 CE2 TYR A 65 48.840 -11.323 5.618 1.00 0.00 C ATOM 932 CZ TYR A 65 48.801 -11.417 4.233 1.00 0.00 C ATOM 933 OH TYR A 65 47.587 -11.499 3.589 1.00 0.00 O ATOM 0 H TYR A 65 53.600 -11.938 3.923 1.00 0.00 H new ATOM 0 HA TYR A 65 54.456 -11.828 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 65 52.293 -11.151 7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 65 52.912 -10.061 6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 65 52.146 -11.342 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 65 50.075 -11.153 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 65 49.963 -11.493 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 65 47.920 -11.321 6.184 1.00 0.00 H new ATOM 0 HH TYR A 65 47.599 -12.252 2.962 1.00 0.00 H new ATOM 943 N VAL A 66 52.118 -13.848 6.365 1.00 0.00 N ATOM 944 CA VAL A 66 51.745 -15.268 6.607 1.00 0.00 C ATOM 945 C VAL A 66 51.915 -16.096 5.323 1.00 0.00 C ATOM 946 O VAL A 66 51.274 -17.112 5.139 1.00 0.00 O ATOM 947 CB VAL A 66 50.292 -15.327 7.088 1.00 0.00 C ATOM 948 CG1 VAL A 66 50.028 -14.140 8.014 1.00 0.00 C ATOM 949 CG2 VAL A 66 49.337 -15.250 5.891 1.00 0.00 C ATOM 0 H VAL A 66 51.334 -13.202 6.273 1.00 0.00 H new ATOM 0 HA VAL A 66 52.400 -15.689 7.370 1.00 0.00 H new ATOM 0 HB VAL A 66 50.126 -16.265 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 66 48.996 -14.173 8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 66 50.701 -14.189 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 66 50.199 -13.210 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 66 48.307 -15.293 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 49.499 -14.314 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 66 49.526 -16.088 5.220 1.00 0.00 H new ATOM 959 N GLU A 67 52.790 -15.679 4.446 1.00 0.00 N ATOM 960 CA GLU A 67 53.019 -16.450 3.191 1.00 0.00 C ATOM 961 C GLU A 67 53.716 -17.772 3.523 1.00 0.00 C ATOM 962 O GLU A 67 54.544 -17.774 4.418 1.00 0.00 O ATOM 963 CB GLU A 67 53.894 -15.619 2.242 1.00 0.00 C ATOM 964 CG GLU A 67 55.369 -15.721 2.652 1.00 0.00 C ATOM 965 CD GLU A 67 56.047 -16.837 1.856 1.00 0.00 C ATOM 966 OE1 GLU A 67 56.269 -16.643 0.672 1.00 0.00 O ATOM 967 OE2 GLU A 67 56.332 -17.867 2.443 1.00 0.00 O ATOM 968 OXT GLU A 67 53.410 -18.758 2.873 1.00 0.00 O ATOM 0 H GLU A 67 53.356 -14.836 4.546 1.00 0.00 H new ATOM 0 HA GLU A 67 52.065 -16.663 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 67 53.769 -15.972 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 67 53.575 -14.577 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 67 55.874 -14.772 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 67 55.447 -15.924 3.720 1.00 0.00 H new TER 975 GLU A 67 CONECT 148 470 CONECT 255 884 CONECT 265 601 CONECT 314 822 CONECT 470 148 CONECT 601 265 CONECT 822 314 CONECT 884 255 END