USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) HEADER CELL CYCLE 06-MAR-05 1Z1V TITLE NMR STRUCTURE OF THE SACCHAROMYCES CEREVISIAE STE50 SAM TITLE 2 DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: STE50 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: STE50 SAM DOMAIN (RESIDUES 32-107); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 GENE: STE50; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET15B; SOURCE 1 OTHER_DETAILS: THIS PROTEIN FRAGMENT WAS CLONED INTO THE SOURCE 2 NDEI AND BAMHI SITES OF PET15B CREATING AN AMINOTERMINAL SOURCE 3 HEXAHISTIDINE TAGGED PROTEIN WITH AN INTERVENING THROMBIN SOURCE 4 PROTEASE CLEAVAGE SITE. AFTER THROMBIN TREATMENT, THE NON- SOURCE 5 NATIVE RESIDUES GSH REMAINED AMINO TERMINAL TO THE NATIVE SOURCE 6 STE50 SEQUENCE KEYWDS ALL HELIX PROTEIN, SAM DOMAIN, CELL CYCLE EXPDTA SOLUTION NMR AUTHOR J.J.KWAN,N.WARNER,J.MAINI,T.PAWSON,L.W.DONALDSON REVDAT 2 24-FEB-09 1Z1V 1 VERSN REVDAT 1 14-FEB-06 1Z1V 0 JRNL AUTH J.J.KWAN,N.WARNER,J.MAINI,K.W.CHAN TUNG,H.ZAKARIA, JRNL AUTH 2 T.PAWSON,L.W.DONALDSON JRNL TITL SACCHAROMYCES CEREVISIAE STE50 BINDS THE MAPKKK JRNL TITL 2 STE11 THROUGH A HEAD-TO-TAIL SAM DOMAIN JRNL TITL 3 INTERACTION. JRNL REF J.MOL.BIOL. V. 356 142 2006 JRNL REFN ISSN 0022-2836 JRNL PMID 16337230 JRNL DOI 10.1016/J.JMB.2005.11.012 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR-NIH 2.9.9 REMARK 3 AUTHORS : C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: EXPERIMENTAL OBSERVATIONS: 615 REMARK 3 INTERMOLECULAR NOE DISTANCE RESTRAINTS, 328 SHORT RANGE NOE REMARK 3 DISTANCE RESTRAINTS, 163 MEDIUM RANGE NOE DISTANCE RESTRAINTS, REMARK 3 149 LONG RANGE NOE RESTRAINTS, 42 PAIRS OF HYDROGEN BOND REMARK 3 DISTANCE RESTRAINTS AND 69 PAIRS OF PHI/PSI DIHEDRAL ANGLE REMARK 3 RESTRAINTS. AN INITIAL ENSEMBLE OF 500 STRUCTURES WERE REMARK 3 CALCULATED WITH CYANA 2.0. THE TOP 25 STRUCTURES WITH MINIMUM REMARK 3 RESTRAINT VIOLATIONS WERE REFINED IN WATER USING XPLOR-NIH AND REMARK 3 A PROTOCOL BY C. SPRONK. ALL 25 WATER REFINED STRUCTURES HAD REMARK 3 NO NOE VIOLATIONS > 0.5 A AND NO DIHEDRAL VIOLATIONS > 5 REMARK 3 DEGREES. FOR RESIDUES 35-100, THE BACKBONE RMSD OF THE REMARK 3 ENSEMBLE IS 0.75 +/- 0.14 A. RESIDUES 28-32 AND 101-107 ARE REMARK 3 DISORDERED. REMARK 4 REMARK 4 1Z1V COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032192. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.8 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.8 MM STE50 SAM U-15N,13C, REMARK 210 20 MM SODIUM PHOSPHATE BUFFER, REMARK 210 PH 7.8, 150 MM SODIUM REMARK 210 CHLORIDE, 0.02 % SODIUM AZIDE, REMARK 210 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE, INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE N/A, NMRVIEW 5.2, REMARK 210 CYANA 2.0 REMARK 210 METHOD USED : SIMULATED ANNEALING 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 : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 3D REMARK 210 HETERONUCLEAR TECHNIQUES REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY A 28 REMARK 465 SER A 29 REMARK 465 HIS A 30 REMARK 465 MET A 31 REMARK 465 PHE A 32 REMARK 465 LYS A 103 REMARK 465 LEU A 104 REMARK 465 GLU A 105 REMARK 465 TRP A 106 REMARK 465 LYS A 107 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 GLN A 34 70.84 35.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1UQV RELATED DB: PDB REMARK 900 SIMILAR TO GRIMSHAW SJ ET AL. (2004). J.BIOL.CHEM. 279(3) : REMARK 900 2192-2201 DBREF 1Z1V A 32 107 UNP P25344 ST50_YEAST 32 107 SEQADV 1Z1V GLY A 28 UNP P25344 CLONING ARTIFACT SEQADV 1Z1V SER A 29 UNP P25344 CLONING ARTIFACT SEQADV 1Z1V HIS A 30 UNP P25344 CLONING ARTIFACT SEQADV 1Z1V MET A 31 UNP P25344 CLONING ARTIFACT SEQRES 1 A 80 GLY SER HIS MET PHE SER GLN TRP SER VAL ASP ASP VAL SEQRES 2 A 80 ILE THR TRP CYS ILE SER THR LEU GLU VAL GLU GLU THR SEQRES 3 A 80 ASP PRO LEU CYS GLN ARG LEU ARG GLU ASN ASP ILE VAL SEQRES 4 A 80 GLY ASP LEU LEU PRO GLU LEU CYS LEU GLN ASP CYS GLN SEQRES 5 A 80 ASP LEU CYS ASP GLY ASP LEU ASN LYS ALA ILE LYS PHE SEQRES 6 A 80 LYS ILE LEU ILE ASN LYS MET ARG ASP SER LYS LEU GLU SEQRES 7 A 80 TRP LYS HELIX 1 1 SER A 36 GLU A 49 1 14 HELIX 2 2 ASP A 54 ASN A 63 1 10 HELIX 3 3 LEU A 69 LEU A 73 5 5 HELIX 4 4 CYS A 74 CYS A 82 1 9 HELIX 5 5 ASP A 85 SER A 102 1 18 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 87 ASN : amide:sc= 1.09 K(o=2.3,f=-5.5) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0) USER MOD Single : A 33 SER OG : rot 37:sc= 0.184 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.803 USER MOD Single : A 44 CYS SG : rot 79:sc= 1.25 USER MOD Single : A 46 SER OG : rot 80:sc= 1.16 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 53 THR OG1 : rot -90:sc= 1.35 USER MOD Single : A 57 CYS SG : rot 151:sc= 1.19 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 63 ASN : amide:sc= 0.957 K(o=0.96,f=-0.6) USER MOD Single : A 74 CYS SG : rot 20:sc= 0.0684 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot -150:sc= -1! USER MOD Single : A 79 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.7!) USER MOD Single : A 82 CYS SG : rot 158:sc= -3.29! USER MOD Single : A 88 LYS NZ :NH3+ -104:sc= -0.0449 (180deg=-0.425!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -166:sc= -0.0268 (180deg=-0.285) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 33 1.593 -9.117 1.145 1.00 0.00 N ATOM 2 CA SER A 33 2.316 -8.034 0.493 1.00 0.00 C ATOM 3 C SER A 33 1.568 -7.584 -0.759 1.00 0.00 C ATOM 4 O SER A 33 1.278 -6.405 -0.911 1.00 0.00 O ATOM 5 CB SER A 33 3.718 -8.511 0.133 1.00 0.00 C ATOM 6 OG SER A 33 4.379 -9.064 1.272 1.00 0.00 O ATOM 0 HA SER A 33 2.390 -7.184 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.660 -9.260 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.300 -7.677 -0.260 1.00 0.00 H new ATOM 0 HG SER A 33 3.730 -9.550 1.822 1.00 0.00 H new ATOM 11 N GLN A 34 1.211 -8.560 -1.609 1.00 0.00 N ATOM 12 CA GLN A 34 0.500 -8.353 -2.882 1.00 0.00 C ATOM 13 C GLN A 34 0.883 -7.064 -3.652 1.00 0.00 C ATOM 14 O GLN A 34 0.120 -6.085 -3.703 1.00 0.00 O ATOM 15 CB GLN A 34 -1.005 -8.445 -2.672 1.00 0.00 C ATOM 16 CG GLN A 34 -1.474 -9.811 -2.205 1.00 0.00 C ATOM 17 CD GLN A 34 -2.971 -9.882 -2.017 1.00 0.00 C ATOM 18 OE1 GLN A 34 -3.735 -9.180 -2.685 1.00 0.00 O ATOM 19 NE2 GLN A 34 -3.409 -10.704 -1.106 1.00 0.00 N ATOM 0 H GLN A 34 1.414 -9.542 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 34 0.832 -9.163 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.307 -7.697 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.509 -8.197 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.167 -10.564 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.982 -10.057 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.751 -11.270 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.410 -10.781 -0.928 1.00 0.00 H new ATOM 28 N TRP A 35 2.079 -7.055 -4.196 1.00 0.00 N ATOM 29 CA TRP A 35 2.568 -5.997 -4.981 1.00 0.00 C ATOM 30 C TRP A 35 2.428 -6.380 -6.434 1.00 0.00 C ATOM 31 O TRP A 35 2.496 -7.566 -6.770 1.00 0.00 O ATOM 32 CB TRP A 35 4.038 -5.858 -4.756 1.00 0.00 C ATOM 33 CG TRP A 35 4.527 -5.463 -3.400 1.00 0.00 C ATOM 34 CD1 TRP A 35 3.815 -5.268 -2.256 1.00 0.00 C ATOM 35 CD2 TRP A 35 5.879 -5.189 -3.082 1.00 0.00 C ATOM 36 NE1 TRP A 35 4.663 -4.922 -1.233 1.00 0.00 N ATOM 37 CE2 TRP A 35 5.940 -4.861 -1.723 1.00 0.00 C ATOM 38 CE3 TRP A 35 7.047 -5.203 -3.830 1.00 0.00 C ATOM 39 CZ2 TRP A 35 7.142 -4.546 -1.089 1.00 0.00 C ATOM 40 CZ3 TRP A 35 8.231 -4.891 -3.212 1.00 0.00 C ATOM 41 CH2 TRP A 35 8.277 -4.568 -1.854 1.00 0.00 C ATOM 0 H TRP A 35 2.744 -7.821 -4.087 1.00 0.00 H new ATOM 0 HA TRP A 35 2.026 -5.086 -4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.502 -6.812 -5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.412 -5.123 -5.468 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.744 -5.370 -2.167 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.387 -4.740 -0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 35 7.025 -5.455 -4.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.176 -4.295 -0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.145 -4.895 -3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.227 -4.331 -1.398 1.00 0.00 H new ATOM 52 N SER A 36 2.262 -5.424 -7.280 1.00 0.00 N ATOM 53 CA SER A 36 2.245 -5.694 -8.685 1.00 0.00 C ATOM 54 C SER A 36 3.696 -5.899 -9.144 1.00 0.00 C ATOM 55 O SER A 36 4.624 -5.332 -8.528 1.00 0.00 O ATOM 56 CB SER A 36 1.580 -4.546 -9.425 1.00 0.00 C ATOM 57 OG SER A 36 0.270 -4.330 -8.913 1.00 0.00 O ATOM 0 H SER A 36 2.135 -4.444 -7.028 1.00 0.00 H new ATOM 0 HA SER A 36 1.669 -6.594 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.176 -3.639 -9.317 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.530 -4.770 -10.491 1.00 0.00 H new ATOM 0 HG SER A 36 -0.151 -3.587 -9.394 1.00 0.00 H new ATOM 63 N VAL A 37 3.903 -6.672 -10.212 1.00 0.00 N ATOM 64 CA VAL A 37 5.197 -7.007 -10.694 1.00 0.00 C ATOM 65 C VAL A 37 6.078 -5.786 -10.965 1.00 0.00 C ATOM 66 O VAL A 37 7.271 -5.811 -10.683 1.00 0.00 O ATOM 67 CB VAL A 37 5.094 -7.897 -11.946 1.00 0.00 C ATOM 68 CG1 VAL A 37 4.555 -9.271 -11.601 1.00 0.00 C ATOM 69 CG2 VAL A 37 4.246 -7.258 -13.040 1.00 0.00 C ATOM 0 H VAL A 37 3.145 -7.079 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 37 5.689 -7.565 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 37 6.107 -8.006 -12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.494 -9.876 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.221 -9.754 -10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.562 -9.173 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.203 -7.923 -13.902 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.237 -7.085 -12.664 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.690 -6.308 -13.337 1.00 0.00 H new ATOM 79 N ASP A 38 5.472 -4.724 -11.458 1.00 0.00 N ATOM 80 CA ASP A 38 6.178 -3.479 -11.751 1.00 0.00 C ATOM 81 C ASP A 38 6.800 -2.914 -10.477 1.00 0.00 C ATOM 82 O ASP A 38 7.970 -2.534 -10.460 1.00 0.00 O ATOM 83 CB ASP A 38 5.185 -2.450 -12.313 1.00 0.00 C ATOM 84 CG ASP A 38 4.467 -2.934 -13.550 1.00 0.00 C ATOM 85 OD1 ASP A 38 4.985 -2.757 -14.673 1.00 0.00 O ATOM 86 OD2 ASP A 38 3.378 -3.538 -13.411 1.00 0.00 O ATOM 0 H ASP A 38 4.475 -4.694 -11.669 1.00 0.00 H new ATOM 0 HA ASP A 38 6.963 -3.683 -12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.450 -2.206 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.719 -1.529 -12.547 1.00 0.00 H new ATOM 91 N ASP A 39 6.020 -2.930 -9.391 1.00 0.00 N ATOM 92 CA ASP A 39 6.466 -2.409 -8.088 1.00 0.00 C ATOM 93 C ASP A 39 7.591 -3.265 -7.542 1.00 0.00 C ATOM 94 O ASP A 39 8.536 -2.768 -6.918 1.00 0.00 O ATOM 95 CB ASP A 39 5.326 -2.368 -7.075 1.00 0.00 C ATOM 96 CG ASP A 39 5.659 -1.550 -5.834 1.00 0.00 C ATOM 97 OD1 ASP A 39 5.521 -0.306 -5.875 1.00 0.00 O ATOM 98 OD2 ASP A 39 6.017 -2.127 -4.788 1.00 0.00 O ATOM 0 H ASP A 39 5.070 -3.300 -9.386 1.00 0.00 H new ATOM 0 HA ASP A 39 6.818 -1.390 -8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.439 -1.950 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.077 -3.386 -6.776 1.00 0.00 H new ATOM 103 N VAL A 40 7.478 -4.562 -7.787 1.00 0.00 N ATOM 104 CA VAL A 40 8.484 -5.544 -7.364 1.00 0.00 C ATOM 105 C VAL A 40 9.815 -5.235 -8.049 1.00 0.00 C ATOM 106 O VAL A 40 10.883 -5.215 -7.401 1.00 0.00 O ATOM 107 CB VAL A 40 8.022 -6.979 -7.751 1.00 0.00 C ATOM 108 CG1 VAL A 40 8.993 -8.056 -7.282 1.00 0.00 C ATOM 109 CG2 VAL A 40 6.637 -7.250 -7.226 1.00 0.00 C ATOM 0 H VAL A 40 6.687 -4.971 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 40 8.606 -5.488 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 40 8.005 -7.022 -8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.620 -9.036 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.970 -7.887 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.084 -8.016 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.332 -8.258 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.636 -7.160 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.939 -6.528 -7.651 1.00 0.00 H new ATOM 119 N ILE A 41 9.738 -4.952 -9.352 1.00 0.00 N ATOM 120 CA ILE A 41 10.905 -4.560 -10.124 1.00 0.00 C ATOM 121 C ILE A 41 11.487 -3.283 -9.536 1.00 0.00 C ATOM 122 O ILE A 41 12.683 -3.203 -9.286 1.00 0.00 O ATOM 123 CB ILE A 41 10.583 -4.359 -11.644 1.00 0.00 C ATOM 124 CG1 ILE A 41 10.009 -5.648 -12.273 1.00 0.00 C ATOM 125 CG2 ILE A 41 11.818 -3.892 -12.420 1.00 0.00 C ATOM 126 CD1 ILE A 41 10.891 -6.882 -12.116 1.00 0.00 C ATOM 0 H ILE A 41 8.872 -4.989 -9.890 1.00 0.00 H new ATOM 0 HA ILE A 41 11.632 -5.370 -10.063 1.00 0.00 H new ATOM 0 HB ILE A 41 9.824 -3.579 -11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.037 -5.853 -11.824 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.839 -5.473 -13.335 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.560 -3.762 -13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 41 12.167 -2.943 -12.012 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.608 -4.638 -12.330 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.407 -7.737 -12.588 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.855 -6.703 -12.591 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.042 -7.089 -11.057 1.00 0.00 H new ATOM 138 N THR A 42 10.608 -2.334 -9.227 1.00 0.00 N ATOM 139 CA THR A 42 10.983 -1.085 -8.626 1.00 0.00 C ATOM 140 C THR A 42 11.756 -1.295 -7.314 1.00 0.00 C ATOM 141 O THR A 42 12.778 -0.628 -7.059 1.00 0.00 O ATOM 142 CB THR A 42 9.715 -0.269 -8.348 1.00 0.00 C ATOM 143 OG1 THR A 42 9.006 -0.005 -9.562 1.00 0.00 O ATOM 144 CG2 THR A 42 10.033 1.001 -7.640 1.00 0.00 C ATOM 0 H THR A 42 9.606 -2.425 -9.394 1.00 0.00 H new ATOM 0 HA THR A 42 11.638 -0.554 -9.316 1.00 0.00 H new ATOM 0 HB THR A 42 9.074 -0.863 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.593 -0.832 -9.886 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.113 1.556 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.516 0.776 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.704 1.602 -8.254 1.00 0.00 H new ATOM 152 N TRP A 43 11.278 -2.215 -6.502 1.00 0.00 N ATOM 153 CA TRP A 43 11.946 -2.556 -5.269 1.00 0.00 C ATOM 154 C TRP A 43 13.351 -3.056 -5.532 1.00 0.00 C ATOM 155 O TRP A 43 14.289 -2.580 -4.913 1.00 0.00 O ATOM 156 CB TRP A 43 11.162 -3.605 -4.482 1.00 0.00 C ATOM 157 CG TRP A 43 11.824 -3.983 -3.188 1.00 0.00 C ATOM 158 CD1 TRP A 43 11.857 -3.253 -2.045 1.00 0.00 C ATOM 159 CD2 TRP A 43 12.548 -5.185 -2.911 1.00 0.00 C ATOM 160 NE1 TRP A 43 12.563 -3.920 -1.081 1.00 0.00 N ATOM 161 CE2 TRP A 43 12.997 -5.103 -1.585 1.00 0.00 C ATOM 162 CE3 TRP A 43 12.863 -6.318 -3.655 1.00 0.00 C ATOM 163 CZ2 TRP A 43 13.743 -6.106 -0.989 1.00 0.00 C ATOM 164 CZ3 TRP A 43 13.603 -7.311 -3.056 1.00 0.00 C ATOM 165 CH2 TRP A 43 14.035 -7.200 -1.738 1.00 0.00 C ATOM 0 H TRP A 43 10.423 -2.742 -6.678 1.00 0.00 H new ATOM 0 HA TRP A 43 12.002 -1.646 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 43 10.162 -3.223 -4.274 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.041 -4.497 -5.096 1.00 0.00 H new ATOM 0 HD1 TRP A 43 11.394 -2.286 -1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.736 -3.582 -0.134 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.534 -6.415 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 14.080 -6.021 0.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.854 -8.196 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 43 14.614 -8.000 -1.302 1.00 0.00 H new ATOM 176 N CYS A 44 13.500 -3.954 -6.504 1.00 0.00 N ATOM 177 CA CYS A 44 14.777 -4.519 -6.820 1.00 0.00 C ATOM 178 C CYS A 44 15.751 -3.439 -7.265 1.00 0.00 C ATOM 179 O CYS A 44 16.911 -3.437 -6.861 1.00 0.00 O ATOM 180 CB CYS A 44 14.617 -5.551 -7.913 1.00 0.00 C ATOM 181 SG CYS A 44 13.384 -6.819 -7.549 1.00 0.00 S ATOM 0 H CYS A 44 12.733 -4.298 -7.082 1.00 0.00 H new ATOM 0 HA CYS A 44 15.179 -4.994 -5.925 1.00 0.00 H new ATOM 0 HB2 CYS A 44 14.341 -5.046 -8.839 1.00 0.00 H new ATOM 0 HB3 CYS A 44 15.579 -6.033 -8.087 1.00 0.00 H new ATOM 0 HG CYS A 44 12.194 -6.340 -7.761 1.00 0.00 H new ATOM 187 N ILE A 45 15.256 -2.503 -8.057 1.00 0.00 N ATOM 188 CA ILE A 45 16.072 -1.408 -8.576 1.00 0.00 C ATOM 189 C ILE A 45 16.567 -0.550 -7.440 1.00 0.00 C ATOM 190 O ILE A 45 17.750 -0.286 -7.317 1.00 0.00 O ATOM 191 CB ILE A 45 15.264 -0.503 -9.562 1.00 0.00 C ATOM 192 CG1 ILE A 45 14.617 -1.340 -10.670 1.00 0.00 C ATOM 193 CG2 ILE A 45 16.131 0.609 -10.152 1.00 0.00 C ATOM 194 CD1 ILE A 45 15.516 -2.401 -11.232 1.00 0.00 C ATOM 0 H ILE A 45 14.282 -2.477 -8.360 1.00 0.00 H new ATOM 0 HA ILE A 45 16.909 -1.855 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 45 14.470 -0.026 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.716 -1.811 -10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.304 -0.677 -11.477 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.532 1.215 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 45 16.514 1.237 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.966 0.169 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.987 -2.951 -12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.406 -1.936 -11.656 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.809 -3.088 -10.438 1.00 0.00 H new ATOM 206 N SER A 46 15.656 -0.183 -6.591 1.00 0.00 N ATOM 207 CA SER A 46 15.927 0.670 -5.483 1.00 0.00 C ATOM 208 C SER A 46 16.816 -0.011 -4.448 1.00 0.00 C ATOM 209 O SER A 46 17.611 0.639 -3.783 1.00 0.00 O ATOM 210 CB SER A 46 14.605 1.122 -4.873 1.00 0.00 C ATOM 211 OG SER A 46 13.761 1.678 -5.888 1.00 0.00 O ATOM 0 H SER A 46 14.681 -0.477 -6.654 1.00 0.00 H new ATOM 0 HA SER A 46 16.479 1.542 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.107 0.277 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.789 1.863 -4.095 1.00 0.00 H new ATOM 0 HG SER A 46 13.326 0.954 -6.385 1.00 0.00 H new ATOM 217 N THR A 47 16.704 -1.315 -4.327 1.00 0.00 N ATOM 218 CA THR A 47 17.409 -1.970 -3.267 1.00 0.00 C ATOM 219 C THR A 47 18.783 -2.537 -3.734 1.00 0.00 C ATOM 220 O THR A 47 19.801 -2.373 -3.052 1.00 0.00 O ATOM 221 CB THR A 47 16.503 -3.020 -2.512 1.00 0.00 C ATOM 222 OG1 THR A 47 17.049 -3.340 -1.230 1.00 0.00 O ATOM 223 CG2 THR A 47 16.319 -4.306 -3.313 1.00 0.00 C ATOM 0 H THR A 47 16.149 -1.920 -4.932 1.00 0.00 H new ATOM 0 HA THR A 47 17.653 -1.213 -2.522 1.00 0.00 H new ATOM 0 HB THR A 47 15.527 -2.551 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.470 -3.991 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.689 -4.997 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.845 -4.076 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.291 -4.765 -3.492 1.00 0.00 H new ATOM 231 N LEU A 48 18.811 -3.167 -4.905 1.00 0.00 N ATOM 232 CA LEU A 48 20.044 -3.711 -5.455 1.00 0.00 C ATOM 233 C LEU A 48 20.825 -2.689 -6.255 1.00 0.00 C ATOM 234 O LEU A 48 22.007 -2.916 -6.553 1.00 0.00 O ATOM 235 CB LEU A 48 19.800 -4.964 -6.311 1.00 0.00 C ATOM 236 CG LEU A 48 19.280 -6.220 -5.622 1.00 0.00 C ATOM 237 CD1 LEU A 48 19.154 -7.329 -6.649 1.00 0.00 C ATOM 238 CD2 LEU A 48 20.229 -6.655 -4.514 1.00 0.00 C ATOM 0 H LEU A 48 17.989 -3.313 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 48 20.643 -3.996 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 48 19.092 -4.698 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.739 -5.219 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 48 18.307 -6.007 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.782 -8.232 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.458 -7.024 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.130 -7.529 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.841 -7.553 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.211 -6.866 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.316 -5.858 -3.776 1.00 0.00 H new ATOM 250 N GLU A 49 20.162 -1.578 -6.625 1.00 0.00 N ATOM 251 CA GLU A 49 20.775 -0.517 -7.431 1.00 0.00 C ATOM 252 C GLU A 49 21.166 -1.114 -8.801 1.00 0.00 C ATOM 253 O GLU A 49 22.253 -0.899 -9.346 1.00 0.00 O ATOM 254 CB GLU A 49 21.961 0.086 -6.662 1.00 0.00 C ATOM 255 CG GLU A 49 22.623 1.290 -7.289 1.00 0.00 C ATOM 256 CD GLU A 49 23.799 1.733 -6.481 1.00 0.00 C ATOM 257 OE1 GLU A 49 23.616 2.459 -5.487 1.00 0.00 O ATOM 258 OE2 GLU A 49 24.947 1.347 -6.809 1.00 0.00 O ATOM 0 H GLU A 49 19.191 -1.395 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 49 20.081 0.303 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.617 0.365 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.715 -0.690 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.943 1.047 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.904 2.105 -7.369 1.00 0.00 H new ATOM 265 N VAL A 50 20.226 -1.844 -9.356 1.00 0.00 N ATOM 266 CA VAL A 50 20.363 -2.528 -10.583 1.00 0.00 C ATOM 267 C VAL A 50 19.313 -2.016 -11.515 1.00 0.00 C ATOM 268 O VAL A 50 18.440 -1.259 -11.117 1.00 0.00 O ATOM 269 CB VAL A 50 20.177 -4.062 -10.408 1.00 0.00 C ATOM 270 CG1 VAL A 50 21.190 -4.587 -9.443 1.00 0.00 C ATOM 271 CG2 VAL A 50 18.762 -4.413 -9.935 1.00 0.00 C ATOM 0 H VAL A 50 19.308 -1.971 -8.929 1.00 0.00 H new ATOM 0 HA VAL A 50 21.366 -2.354 -10.974 1.00 0.00 H new ATOM 0 HB VAL A 50 20.322 -4.531 -11.381 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.056 -5.662 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.192 -4.386 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 50 21.062 -4.096 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.673 -5.494 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.570 -3.933 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.036 -4.062 -10.668 1.00 0.00 H new ATOM 281 N GLU A 51 19.439 -2.373 -12.714 1.00 0.00 N ATOM 282 CA GLU A 51 18.513 -1.994 -13.756 1.00 0.00 C ATOM 283 C GLU A 51 17.496 -3.094 -13.982 1.00 0.00 C ATOM 284 O GLU A 51 17.666 -4.215 -13.520 1.00 0.00 O ATOM 285 CB GLU A 51 19.258 -1.729 -15.053 1.00 0.00 C ATOM 286 CG GLU A 51 20.226 -0.579 -14.982 1.00 0.00 C ATOM 287 CD GLU A 51 20.952 -0.377 -16.277 1.00 0.00 C ATOM 288 OE1 GLU A 51 20.422 0.322 -17.172 1.00 0.00 O ATOM 289 OE2 GLU A 51 22.066 -0.903 -16.419 1.00 0.00 O ATOM 0 H GLU A 51 20.207 -2.959 -13.043 1.00 0.00 H new ATOM 0 HA GLU A 51 17.999 -1.085 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.801 -2.630 -15.338 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.533 -1.531 -15.842 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.688 0.333 -14.722 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.948 -0.761 -14.186 1.00 0.00 H new ATOM 296 N GLU A 52 16.430 -2.767 -14.657 1.00 0.00 N ATOM 297 CA GLU A 52 15.409 -3.749 -15.030 1.00 0.00 C ATOM 298 C GLU A 52 15.958 -4.803 -16.001 1.00 0.00 C ATOM 299 O GLU A 52 15.472 -5.917 -16.081 1.00 0.00 O ATOM 300 CB GLU A 52 14.155 -3.063 -15.575 1.00 0.00 C ATOM 301 CG GLU A 52 14.389 -1.765 -16.363 1.00 0.00 C ATOM 302 CD GLU A 52 15.171 -1.962 -17.635 1.00 0.00 C ATOM 303 OE1 GLU A 52 14.548 -2.282 -18.672 1.00 0.00 O ATOM 304 OE2 GLU A 52 16.422 -1.819 -17.613 1.00 0.00 O ATOM 0 H GLU A 52 16.230 -1.818 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 52 15.119 -4.282 -14.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.630 -3.768 -16.220 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.492 -2.843 -14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.425 -1.318 -16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.918 -1.055 -15.728 1.00 0.00 H new ATOM 311 N THR A 53 16.957 -4.412 -16.718 1.00 0.00 N ATOM 312 CA THR A 53 17.681 -5.265 -17.629 1.00 0.00 C ATOM 313 C THR A 53 18.750 -6.127 -16.917 1.00 0.00 C ATOM 314 O THR A 53 19.507 -6.866 -17.563 1.00 0.00 O ATOM 315 CB THR A 53 18.299 -4.415 -18.753 1.00 0.00 C ATOM 316 OG1 THR A 53 18.667 -3.119 -18.220 1.00 0.00 O ATOM 317 CG2 THR A 53 17.333 -4.241 -19.910 1.00 0.00 C ATOM 0 H THR A 53 17.313 -3.456 -16.692 1.00 0.00 H new ATOM 0 HA THR A 53 16.971 -5.969 -18.063 1.00 0.00 H new ATOM 0 HB THR A 53 19.182 -4.930 -19.131 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.914 -2.500 -18.316 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.801 -3.636 -20.687 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.074 -5.218 -20.318 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.429 -3.744 -19.558 1.00 0.00 H new ATOM 325 N ASP A 54 18.815 -6.026 -15.593 1.00 0.00 N ATOM 326 CA ASP A 54 19.736 -6.824 -14.802 1.00 0.00 C ATOM 327 C ASP A 54 19.235 -8.253 -14.804 1.00 0.00 C ATOM 328 O ASP A 54 18.011 -8.480 -14.818 1.00 0.00 O ATOM 329 CB ASP A 54 19.820 -6.306 -13.353 1.00 0.00 C ATOM 330 CG ASP A 54 20.947 -6.928 -12.541 1.00 0.00 C ATOM 331 OD1 ASP A 54 22.082 -6.398 -12.586 1.00 0.00 O ATOM 332 OD2 ASP A 54 20.732 -7.944 -11.848 1.00 0.00 O ATOM 0 H ASP A 54 18.234 -5.392 -15.044 1.00 0.00 H new ATOM 0 HA ASP A 54 20.734 -6.760 -15.235 1.00 0.00 H new ATOM 0 HB2 ASP A 54 19.952 -5.224 -13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.872 -6.503 -12.852 1.00 0.00 H new ATOM 337 N PRO A 55 20.141 -9.227 -14.831 1.00 0.00 N ATOM 338 CA PRO A 55 19.790 -10.640 -14.840 1.00 0.00 C ATOM 339 C PRO A 55 18.812 -11.042 -13.729 1.00 0.00 C ATOM 340 O PRO A 55 17.980 -11.928 -13.947 1.00 0.00 O ATOM 341 CB PRO A 55 21.128 -11.368 -14.657 1.00 0.00 C ATOM 342 CG PRO A 55 22.144 -10.304 -14.409 1.00 0.00 C ATOM 343 CD PRO A 55 21.584 -9.029 -14.942 1.00 0.00 C ATOM 0 HA PRO A 55 19.272 -10.895 -15.765 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.081 -12.066 -13.821 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.380 -11.950 -15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.357 -10.215 -13.344 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.085 -10.547 -14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.918 -8.169 -14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.889 -8.856 -15.974 1.00 0.00 H new ATOM 351 N LEU A 56 18.881 -10.367 -12.559 1.00 0.00 N ATOM 352 CA LEU A 56 17.964 -10.678 -11.456 1.00 0.00 C ATOM 353 C LEU A 56 16.536 -10.397 -11.919 1.00 0.00 C ATOM 354 O LEU A 56 15.658 -11.258 -11.829 1.00 0.00 O ATOM 355 CB LEU A 56 18.312 -9.793 -10.204 1.00 0.00 C ATOM 356 CG LEU A 56 17.604 -10.080 -8.818 1.00 0.00 C ATOM 357 CD1 LEU A 56 16.095 -10.030 -8.859 1.00 0.00 C ATOM 358 CD2 LEU A 56 18.097 -11.373 -8.199 1.00 0.00 C ATOM 0 H LEU A 56 19.549 -9.621 -12.363 1.00 0.00 H new ATOM 0 HA LEU A 56 18.061 -11.726 -11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 56 19.387 -9.868 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.101 -8.757 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 56 17.898 -9.250 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.697 -10.239 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.772 -9.039 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.725 -10.776 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.590 -11.538 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.885 -12.203 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.172 -11.309 -8.030 1.00 0.00 H new ATOM 370 N CYS A 57 16.344 -9.222 -12.492 1.00 0.00 N ATOM 371 CA CYS A 57 15.084 -8.770 -12.918 1.00 0.00 C ATOM 372 C CYS A 57 14.530 -9.640 -14.043 1.00 0.00 C ATOM 373 O CYS A 57 13.335 -9.985 -14.055 1.00 0.00 O ATOM 374 CB CYS A 57 15.240 -7.343 -13.357 1.00 0.00 C ATOM 375 SG CYS A 57 15.853 -6.225 -12.071 1.00 0.00 S ATOM 0 H CYS A 57 17.098 -8.557 -12.667 1.00 0.00 H new ATOM 0 HA CYS A 57 14.366 -8.836 -12.101 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.923 -7.310 -14.206 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.276 -6.977 -13.710 1.00 0.00 H new ATOM 0 HG CYS A 57 16.515 -5.252 -12.622 1.00 0.00 H new ATOM 381 N GLN A 58 15.410 -10.015 -14.957 1.00 0.00 N ATOM 382 CA GLN A 58 15.056 -10.877 -16.086 1.00 0.00 C ATOM 383 C GLN A 58 14.497 -12.213 -15.602 1.00 0.00 C ATOM 384 O GLN A 58 13.390 -12.605 -15.971 1.00 0.00 O ATOM 385 CB GLN A 58 16.316 -11.161 -16.918 1.00 0.00 C ATOM 386 CG GLN A 58 16.079 -12.038 -18.146 1.00 0.00 C ATOM 387 CD GLN A 58 17.371 -12.476 -18.815 1.00 0.00 C ATOM 388 OE1 GLN A 58 18.405 -12.644 -18.162 1.00 0.00 O ATOM 389 NE2 GLN A 58 17.326 -12.689 -20.099 1.00 0.00 N ATOM 0 H GLN A 58 16.390 -9.734 -14.942 1.00 0.00 H new ATOM 0 HA GLN A 58 14.299 -10.365 -16.680 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.744 -10.212 -17.242 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.056 -11.643 -16.280 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.510 -12.920 -17.852 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.470 -11.491 -18.866 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.456 -12.541 -20.610 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.161 -13.004 -20.593 1.00 0.00 H new ATOM 398 N ARG A 59 15.241 -12.877 -14.726 1.00 0.00 N ATOM 399 CA ARG A 59 14.845 -14.185 -14.235 1.00 0.00 C ATOM 400 C ARG A 59 13.584 -14.078 -13.392 1.00 0.00 C ATOM 401 O ARG A 59 12.692 -14.916 -13.481 1.00 0.00 O ATOM 402 CB ARG A 59 15.965 -14.829 -13.425 1.00 0.00 C ATOM 403 CG ARG A 59 17.281 -14.998 -14.182 1.00 0.00 C ATOM 404 CD ARG A 59 17.199 -16.016 -15.299 1.00 0.00 C ATOM 405 NE ARG A 59 17.082 -17.396 -14.806 1.00 0.00 N ATOM 406 CZ ARG A 59 17.085 -18.484 -15.596 1.00 0.00 C ATOM 407 NH1 ARG A 59 17.048 -18.351 -16.925 1.00 0.00 N ATOM 408 NH2 ARG A 59 17.103 -19.698 -15.063 1.00 0.00 N ATOM 0 H ARG A 59 16.120 -12.529 -14.343 1.00 0.00 H new ATOM 0 HA ARG A 59 14.640 -14.819 -15.098 1.00 0.00 H new ATOM 0 HB2 ARG A 59 16.147 -14.224 -12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 59 15.630 -15.808 -13.081 1.00 0.00 H new ATOM 0 HG2 ARG A 59 17.580 -14.036 -14.597 1.00 0.00 H new ATOM 0 HG3 ARG A 59 18.060 -15.299 -13.481 1.00 0.00 H new ATOM 0 HD2 ARG A 59 16.341 -15.787 -15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 59 18.087 -15.933 -15.926 1.00 0.00 H new ATOM 0 HE ARG A 59 16.993 -17.537 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.017 -17.421 -17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.050 -19.179 -17.521 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.115 -19.810 -14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.105 -20.520 -15.667 1.00 0.00 H new ATOM 422 N LEU A 60 13.507 -13.014 -12.613 1.00 0.00 N ATOM 423 CA LEU A 60 12.392 -12.775 -11.714 1.00 0.00 C ATOM 424 C LEU A 60 11.099 -12.626 -12.500 1.00 0.00 C ATOM 425 O LEU A 60 10.083 -13.260 -12.171 1.00 0.00 O ATOM 426 CB LEU A 60 12.723 -11.505 -10.872 1.00 0.00 C ATOM 427 CG LEU A 60 11.837 -11.135 -9.664 1.00 0.00 C ATOM 428 CD1 LEU A 60 12.610 -10.185 -8.752 1.00 0.00 C ATOM 429 CD2 LEU A 60 10.552 -10.450 -10.109 1.00 0.00 C ATOM 0 H LEU A 60 14.221 -12.286 -12.586 1.00 0.00 H new ATOM 0 HA LEU A 60 12.245 -13.620 -11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.744 -11.614 -10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.718 -10.653 -11.552 1.00 0.00 H new ATOM 0 HG LEU A 60 11.576 -12.053 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.991 -9.918 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.520 -10.674 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.872 -9.283 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.950 -10.202 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.796 -9.537 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.989 -11.120 -10.759 1.00 0.00 H new ATOM 441 N ARG A 61 11.138 -11.837 -13.560 1.00 0.00 N ATOM 442 CA ARG A 61 9.964 -11.642 -14.365 1.00 0.00 C ATOM 443 C ARG A 61 9.646 -12.935 -15.152 1.00 0.00 C ATOM 444 O ARG A 61 8.472 -13.339 -15.263 1.00 0.00 O ATOM 445 CB ARG A 61 10.105 -10.394 -15.294 1.00 0.00 C ATOM 446 CG ARG A 61 8.766 -9.842 -15.842 1.00 0.00 C ATOM 447 CD ARG A 61 8.076 -10.787 -16.810 1.00 0.00 C ATOM 448 NE ARG A 61 6.682 -10.427 -17.046 1.00 0.00 N ATOM 449 CZ ARG A 61 5.626 -11.107 -16.554 1.00 0.00 C ATOM 450 NH1 ARG A 61 5.816 -12.150 -15.718 1.00 0.00 N ATOM 451 NH2 ARG A 61 4.402 -10.733 -16.874 1.00 0.00 N ATOM 0 H ARG A 61 11.965 -11.329 -13.874 1.00 0.00 H new ATOM 0 HA ARG A 61 9.118 -11.434 -13.710 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.610 -9.602 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.747 -10.655 -16.136 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.097 -9.637 -15.006 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.951 -8.892 -16.343 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.613 -10.786 -17.758 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.124 -11.803 -16.417 1.00 0.00 H new ATOM 0 HE ARG A 61 6.493 -9.606 -17.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.762 -12.427 -15.455 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.014 -12.661 -15.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.258 -9.933 -17.491 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.600 -11.244 -16.505 1.00 0.00 H new ATOM 465 N GLU A 62 10.689 -13.580 -15.663 1.00 0.00 N ATOM 466 CA GLU A 62 10.557 -14.781 -16.497 1.00 0.00 C ATOM 467 C GLU A 62 9.921 -15.934 -15.730 1.00 0.00 C ATOM 468 O GLU A 62 9.036 -16.631 -16.239 1.00 0.00 O ATOM 469 CB GLU A 62 11.927 -15.217 -16.967 1.00 0.00 C ATOM 470 CG GLU A 62 11.883 -16.308 -18.006 1.00 0.00 C ATOM 471 CD GLU A 62 13.234 -16.828 -18.382 1.00 0.00 C ATOM 472 OE1 GLU A 62 13.964 -16.162 -19.140 1.00 0.00 O ATOM 473 OE2 GLU A 62 13.581 -17.940 -17.953 1.00 0.00 O ATOM 0 H GLU A 62 11.655 -13.288 -15.513 1.00 0.00 H new ATOM 0 HA GLU A 62 9.915 -14.529 -17.341 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.454 -14.355 -17.377 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.504 -15.565 -16.110 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.277 -17.132 -17.630 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.387 -15.928 -18.899 1.00 0.00 H new ATOM 480 N ASN A 63 10.331 -16.090 -14.487 1.00 0.00 N ATOM 481 CA ASN A 63 9.824 -17.154 -13.627 1.00 0.00 C ATOM 482 C ASN A 63 8.486 -16.759 -13.053 1.00 0.00 C ATOM 483 O ASN A 63 7.821 -17.542 -12.369 1.00 0.00 O ATOM 484 CB ASN A 63 10.802 -17.462 -12.486 1.00 0.00 C ATOM 485 CG ASN A 63 12.145 -18.020 -12.930 1.00 0.00 C ATOM 486 OD1 ASN A 63 12.264 -18.623 -13.987 1.00 0.00 O ATOM 487 ND2 ASN A 63 13.149 -17.856 -12.110 1.00 0.00 N ATOM 0 H ASN A 63 11.023 -15.488 -14.041 1.00 0.00 H new ATOM 0 HA ASN A 63 9.713 -18.052 -14.235 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.974 -16.548 -11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.334 -18.176 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.066 -18.236 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.016 -17.348 -11.236 1.00 0.00 H new ATOM 494 N ASP A 64 8.108 -15.539 -13.372 1.00 0.00 N ATOM 495 CA ASP A 64 6.868 -14.915 -12.981 1.00 0.00 C ATOM 496 C ASP A 64 6.729 -14.894 -11.469 1.00 0.00 C ATOM 497 O ASP A 64 5.836 -15.503 -10.877 1.00 0.00 O ATOM 498 CB ASP A 64 5.657 -15.539 -13.695 1.00 0.00 C ATOM 499 CG ASP A 64 4.375 -14.769 -13.486 1.00 0.00 C ATOM 500 OD1 ASP A 64 4.190 -13.721 -14.162 1.00 0.00 O ATOM 501 OD2 ASP A 64 3.498 -15.227 -12.721 1.00 0.00 O ATOM 0 H ASP A 64 8.691 -14.926 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 64 6.892 -13.876 -13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.866 -15.599 -14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.521 -16.560 -13.339 1.00 0.00 H new ATOM 506 N ILE A 65 7.674 -14.261 -10.843 1.00 0.00 N ATOM 507 CA ILE A 65 7.700 -14.166 -9.420 1.00 0.00 C ATOM 508 C ILE A 65 7.264 -12.770 -9.020 1.00 0.00 C ATOM 509 O ILE A 65 7.622 -11.795 -9.665 1.00 0.00 O ATOM 510 CB ILE A 65 9.117 -14.520 -8.853 1.00 0.00 C ATOM 511 CG1 ILE A 65 9.505 -15.948 -9.282 1.00 0.00 C ATOM 512 CG2 ILE A 65 9.151 -14.399 -7.332 1.00 0.00 C ATOM 513 CD1 ILE A 65 10.888 -16.385 -8.845 1.00 0.00 C ATOM 0 H ILE A 65 8.452 -13.794 -11.310 1.00 0.00 H new ATOM 0 HA ILE A 65 7.009 -14.891 -8.991 1.00 0.00 H new ATOM 0 HB ILE A 65 9.837 -13.810 -9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.773 -16.646 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.443 -16.016 -10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.147 -14.651 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.907 -13.377 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.423 -15.083 -6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.075 -17.402 -9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.633 -15.714 -9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.953 -16.354 -7.757 1.00 0.00 H new ATOM 525 N VAL A 66 6.463 -12.691 -7.997 1.00 0.00 N ATOM 526 CA VAL A 66 5.917 -11.442 -7.534 1.00 0.00 C ATOM 527 C VAL A 66 6.416 -11.190 -6.122 1.00 0.00 C ATOM 528 O VAL A 66 6.846 -12.121 -5.452 1.00 0.00 O ATOM 529 CB VAL A 66 4.362 -11.453 -7.552 1.00 0.00 C ATOM 530 CG1 VAL A 66 3.825 -11.709 -8.950 1.00 0.00 C ATOM 531 CG2 VAL A 66 3.819 -12.479 -6.577 1.00 0.00 C ATOM 0 H VAL A 66 6.165 -13.500 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 66 6.245 -10.647 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 66 4.022 -10.466 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.735 -11.710 -8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.173 -10.925 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.181 -12.676 -9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.729 -12.469 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.180 -13.470 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.156 -12.237 -5.569 1.00 0.00 H new ATOM 541 N GLY A 67 6.348 -9.949 -5.679 1.00 0.00 N ATOM 542 CA GLY A 67 6.922 -9.540 -4.398 1.00 0.00 C ATOM 543 C GLY A 67 6.375 -10.296 -3.225 1.00 0.00 C ATOM 544 O GLY A 67 7.102 -10.624 -2.305 1.00 0.00 O ATOM 0 H GLY A 67 5.895 -9.192 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.003 -9.675 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.739 -8.476 -4.251 1.00 0.00 H new ATOM 548 N ASP A 68 5.112 -10.622 -3.296 1.00 0.00 N ATOM 549 CA ASP A 68 4.427 -11.372 -2.247 1.00 0.00 C ATOM 550 C ASP A 68 5.040 -12.759 -2.126 1.00 0.00 C ATOM 551 O ASP A 68 5.153 -13.318 -1.039 1.00 0.00 O ATOM 552 CB ASP A 68 2.948 -11.464 -2.589 1.00 0.00 C ATOM 553 CG ASP A 68 2.087 -11.953 -1.466 1.00 0.00 C ATOM 554 OD1 ASP A 68 1.695 -11.111 -0.618 1.00 0.00 O ATOM 555 OD2 ASP A 68 1.714 -13.140 -1.446 1.00 0.00 O ATOM 0 H ASP A 68 4.514 -10.378 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 68 4.538 -10.864 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.597 -10.480 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.825 -12.130 -3.443 1.00 0.00 H new ATOM 560 N LEU A 69 5.435 -13.291 -3.269 1.00 0.00 N ATOM 561 CA LEU A 69 6.071 -14.589 -3.382 1.00 0.00 C ATOM 562 C LEU A 69 7.517 -14.508 -2.856 1.00 0.00 C ATOM 563 O LEU A 69 8.025 -15.469 -2.316 1.00 0.00 O ATOM 564 CB LEU A 69 6.004 -15.081 -4.865 1.00 0.00 C ATOM 565 CG LEU A 69 6.318 -16.576 -5.206 1.00 0.00 C ATOM 566 CD1 LEU A 69 7.759 -16.993 -4.937 1.00 0.00 C ATOM 567 CD2 LEU A 69 5.356 -17.502 -4.488 1.00 0.00 C ATOM 0 H LEU A 69 5.319 -12.819 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 69 5.543 -15.321 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.000 -14.868 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.693 -14.465 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 69 6.181 -16.664 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.889 -18.043 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.433 -16.382 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.987 -16.853 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.591 -18.536 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.449 -17.359 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.335 -17.277 -4.797 1.00 0.00 H new ATOM 579 N LEU A 70 8.146 -13.323 -2.985 1.00 0.00 N ATOM 580 CA LEU A 70 9.587 -13.118 -2.655 1.00 0.00 C ATOM 581 C LEU A 70 10.071 -13.762 -1.334 1.00 0.00 C ATOM 582 O LEU A 70 11.094 -14.432 -1.339 1.00 0.00 O ATOM 583 CB LEU A 70 9.995 -11.630 -2.729 1.00 0.00 C ATOM 584 CG LEU A 70 10.750 -11.163 -3.993 1.00 0.00 C ATOM 585 CD1 LEU A 70 10.021 -11.530 -5.268 1.00 0.00 C ATOM 586 CD2 LEU A 70 10.986 -9.666 -3.937 1.00 0.00 C ATOM 0 H LEU A 70 7.680 -12.479 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 70 10.108 -13.667 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.091 -11.028 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.618 -11.408 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 70 11.708 -11.683 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.592 -11.180 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.908 -12.613 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.037 -11.062 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.519 -9.348 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.028 -9.149 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.581 -9.424 -3.056 1.00 0.00 H new ATOM 598 N PRO A 71 9.373 -13.593 -0.184 1.00 0.00 N ATOM 599 CA PRO A 71 9.794 -14.236 1.071 1.00 0.00 C ATOM 600 C PRO A 71 9.880 -15.767 0.973 1.00 0.00 C ATOM 601 O PRO A 71 10.666 -16.398 1.670 1.00 0.00 O ATOM 602 CB PRO A 71 8.706 -13.824 2.051 1.00 0.00 C ATOM 603 CG PRO A 71 8.218 -12.534 1.508 1.00 0.00 C ATOM 604 CD PRO A 71 8.187 -12.738 0.033 1.00 0.00 C ATOM 0 HA PRO A 71 10.799 -13.929 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.909 -14.566 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.099 -13.711 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.229 -12.289 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.880 -11.712 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.268 -13.225 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.258 -11.796 -0.511 1.00 0.00 H new ATOM 612 N GLU A 72 9.065 -16.354 0.129 1.00 0.00 N ATOM 613 CA GLU A 72 9.031 -17.723 -0.084 1.00 0.00 C ATOM 614 C GLU A 72 10.210 -18.246 -0.891 1.00 0.00 C ATOM 615 O GLU A 72 10.578 -19.428 -0.756 1.00 0.00 O ATOM 616 CB GLU A 72 7.719 -18.065 -0.705 1.00 0.00 C ATOM 617 CG GLU A 72 6.555 -17.905 0.243 1.00 0.00 C ATOM 618 CD GLU A 72 6.775 -18.693 1.512 1.00 0.00 C ATOM 619 OE1 GLU A 72 6.979 -19.929 1.428 1.00 0.00 O ATOM 620 OE2 GLU A 72 6.785 -18.088 2.606 1.00 0.00 O ATOM 0 H GLU A 72 8.390 -15.839 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 72 9.128 -18.226 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.560 -17.430 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.750 -19.094 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.421 -16.851 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.638 -18.240 -0.242 1.00 0.00 H new ATOM 627 N LEU A 73 10.814 -17.394 -1.712 1.00 0.00 N ATOM 628 CA LEU A 73 11.897 -17.850 -2.547 1.00 0.00 C ATOM 629 C LEU A 73 13.138 -18.074 -1.683 1.00 0.00 C ATOM 630 O LEU A 73 13.498 -17.236 -0.844 1.00 0.00 O ATOM 631 CB LEU A 73 12.112 -16.919 -3.817 1.00 0.00 C ATOM 632 CG LEU A 73 12.647 -15.487 -3.651 1.00 0.00 C ATOM 633 CD1 LEU A 73 14.140 -15.471 -3.414 1.00 0.00 C ATOM 634 CD2 LEU A 73 12.299 -14.658 -4.873 1.00 0.00 C ATOM 0 H LEU A 73 10.573 -16.408 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 73 11.647 -18.815 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.794 -17.442 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.153 -16.847 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 73 12.171 -15.052 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.480 -14.441 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.370 -16.030 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.648 -15.930 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.682 -13.645 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.749 -15.108 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.216 -14.624 -4.993 1.00 0.00 H new ATOM 646 N CYS A 74 13.732 -19.221 -1.838 1.00 0.00 N ATOM 647 CA CYS A 74 14.851 -19.617 -1.038 1.00 0.00 C ATOM 648 C CYS A 74 16.134 -19.149 -1.705 1.00 0.00 C ATOM 649 O CYS A 74 16.089 -18.582 -2.802 1.00 0.00 O ATOM 650 CB CYS A 74 14.821 -21.130 -0.874 1.00 0.00 C ATOM 651 SG CYS A 74 13.230 -21.737 -0.260 1.00 0.00 S ATOM 0 H CYS A 74 13.449 -19.914 -2.531 1.00 0.00 H new ATOM 0 HA CYS A 74 14.804 -19.162 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.038 -21.599 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.610 -21.432 -0.186 1.00 0.00 H new ATOM 0 HG CYS A 74 12.312 -20.841 -0.473 1.00 0.00 H new ATOM 657 N LEU A 75 17.272 -19.378 -1.068 1.00 0.00 N ATOM 658 CA LEU A 75 18.546 -18.926 -1.605 1.00 0.00 C ATOM 659 C LEU A 75 18.808 -19.540 -2.976 1.00 0.00 C ATOM 660 O LEU A 75 19.345 -18.890 -3.854 1.00 0.00 O ATOM 661 CB LEU A 75 19.705 -19.240 -0.644 1.00 0.00 C ATOM 662 CG LEU A 75 21.094 -18.732 -1.074 1.00 0.00 C ATOM 663 CD1 LEU A 75 21.143 -17.209 -1.085 1.00 0.00 C ATOM 664 CD2 LEU A 75 22.181 -19.297 -0.173 1.00 0.00 C ATOM 0 H LEU A 75 17.339 -19.874 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 75 18.488 -17.843 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 75 19.469 -18.812 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.760 -20.321 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 75 21.276 -19.082 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 22.135 -16.879 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 75 20.400 -16.826 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 75 20.928 -16.831 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 75 23.153 -18.924 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 75 21.998 -18.987 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 75 22.173 -20.385 -0.231 1.00 0.00 H new ATOM 676 N GLN A 76 18.421 -20.788 -3.152 1.00 0.00 N ATOM 677 CA GLN A 76 18.589 -21.453 -4.433 1.00 0.00 C ATOM 678 C GLN A 76 17.697 -20.848 -5.510 1.00 0.00 C ATOM 679 O GLN A 76 18.134 -20.667 -6.653 1.00 0.00 O ATOM 680 CB GLN A 76 18.452 -22.962 -4.317 1.00 0.00 C ATOM 681 CG GLN A 76 18.742 -23.730 -5.590 1.00 0.00 C ATOM 682 CD GLN A 76 18.572 -25.215 -5.395 1.00 0.00 C ATOM 683 OE1 GLN A 76 17.484 -25.763 -5.579 1.00 0.00 O ATOM 684 NE2 GLN A 76 19.625 -25.870 -5.004 1.00 0.00 N ATOM 0 H GLN A 76 17.989 -21.362 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 76 19.614 -21.274 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.126 -23.314 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.438 -23.196 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.075 -23.388 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.760 -23.520 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.508 -25.379 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.568 -26.875 -4.838 1.00 0.00 H new ATOM 693 N ASP A 77 16.470 -20.495 -5.136 1.00 0.00 N ATOM 694 CA ASP A 77 15.563 -19.771 -6.042 1.00 0.00 C ATOM 695 C ASP A 77 16.206 -18.499 -6.444 1.00 0.00 C ATOM 696 O ASP A 77 16.114 -18.072 -7.583 1.00 0.00 O ATOM 697 CB ASP A 77 14.254 -19.370 -5.362 1.00 0.00 C ATOM 698 CG ASP A 77 13.325 -20.483 -5.019 1.00 0.00 C ATOM 699 OD1 ASP A 77 13.401 -21.007 -3.893 1.00 0.00 O ATOM 700 OD2 ASP A 77 12.451 -20.805 -5.826 1.00 0.00 O ATOM 0 H ASP A 77 16.076 -20.695 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 77 15.357 -20.439 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.495 -18.830 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.728 -18.673 -6.014 1.00 0.00 H new ATOM 705 N CYS A 78 16.891 -17.921 -5.489 1.00 0.00 N ATOM 706 CA CYS A 78 17.496 -16.637 -5.643 1.00 0.00 C ATOM 707 C CYS A 78 18.717 -16.740 -6.541 1.00 0.00 C ATOM 708 O CYS A 78 18.976 -15.865 -7.338 1.00 0.00 O ATOM 709 CB CYS A 78 17.836 -16.030 -4.276 1.00 0.00 C ATOM 710 SG CYS A 78 18.218 -14.270 -4.313 1.00 0.00 S ATOM 0 H CYS A 78 17.042 -18.342 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 78 16.787 -15.963 -6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 78 16.995 -16.192 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 78 18.688 -16.565 -3.857 1.00 0.00 H new ATOM 0 HG CYS A 78 19.058 -13.988 -3.362 1.00 0.00 H new ATOM 716 N GLN A 79 19.452 -17.830 -6.404 1.00 0.00 N ATOM 717 CA GLN A 79 20.614 -18.102 -7.232 1.00 0.00 C ATOM 718 C GLN A 79 20.183 -18.236 -8.698 1.00 0.00 C ATOM 719 O GLN A 79 20.859 -17.763 -9.607 1.00 0.00 O ATOM 720 CB GLN A 79 21.279 -19.382 -6.750 1.00 0.00 C ATOM 721 CG GLN A 79 22.627 -19.669 -7.366 1.00 0.00 C ATOM 722 CD GLN A 79 23.176 -20.984 -6.889 1.00 0.00 C ATOM 723 OE1 GLN A 79 23.838 -21.055 -5.851 1.00 0.00 O ATOM 724 NE2 GLN A 79 22.917 -22.027 -7.630 1.00 0.00 N ATOM 0 H GLN A 79 19.259 -18.554 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 79 21.327 -17.281 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.394 -19.329 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.614 -20.220 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 79 22.538 -19.682 -8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 79 23.323 -18.869 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.365 -21.923 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.267 -22.946 -7.358 1.00 0.00 H new ATOM 733 N ASP A 80 19.061 -18.902 -8.919 1.00 0.00 N ATOM 734 CA ASP A 80 18.470 -18.974 -10.259 1.00 0.00 C ATOM 735 C ASP A 80 18.034 -17.595 -10.730 1.00 0.00 C ATOM 736 O ASP A 80 18.262 -17.195 -11.877 1.00 0.00 O ATOM 737 CB ASP A 80 17.267 -19.910 -10.275 1.00 0.00 C ATOM 738 CG ASP A 80 16.552 -19.893 -11.611 1.00 0.00 C ATOM 739 OD1 ASP A 80 17.038 -20.503 -12.564 1.00 0.00 O ATOM 740 OD2 ASP A 80 15.476 -19.269 -11.719 1.00 0.00 O ATOM 0 H ASP A 80 18.539 -19.400 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 80 19.234 -19.362 -10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.595 -20.925 -10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.571 -19.620 -9.488 1.00 0.00 H new ATOM 745 N LEU A 81 17.457 -16.882 -9.805 1.00 0.00 N ATOM 746 CA LEU A 81 16.873 -15.572 -9.998 1.00 0.00 C ATOM 747 C LEU A 81 17.935 -14.548 -10.432 1.00 0.00 C ATOM 748 O LEU A 81 17.668 -13.667 -11.212 1.00 0.00 O ATOM 749 CB LEU A 81 16.265 -15.153 -8.665 1.00 0.00 C ATOM 750 CG LEU A 81 15.305 -13.999 -8.649 1.00 0.00 C ATOM 751 CD1 LEU A 81 13.991 -14.450 -9.222 1.00 0.00 C ATOM 752 CD2 LEU A 81 15.112 -13.515 -7.239 1.00 0.00 C ATOM 0 H LEU A 81 17.374 -17.210 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 81 16.120 -15.611 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.750 -16.019 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.084 -14.913 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 81 15.703 -13.180 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.286 -13.618 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.139 -14.791 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.593 -15.268 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.414 -12.678 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.712 -14.324 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.070 -13.192 -6.831 1.00 0.00 H new ATOM 764 N CYS A 82 19.122 -14.668 -9.894 1.00 0.00 N ATOM 765 CA CYS A 82 20.208 -13.766 -10.232 1.00 0.00 C ATOM 766 C CYS A 82 21.057 -14.306 -11.373 1.00 0.00 C ATOM 767 O CYS A 82 22.022 -13.657 -11.809 1.00 0.00 O ATOM 768 CB CYS A 82 21.074 -13.568 -9.020 1.00 0.00 C ATOM 769 SG CYS A 82 21.729 -15.094 -8.353 1.00 0.00 S ATOM 0 H CYS A 82 19.368 -15.387 -9.213 1.00 0.00 H new ATOM 0 HA CYS A 82 19.775 -12.820 -10.556 1.00 0.00 H new ATOM 0 HB2 CYS A 82 21.903 -12.909 -9.279 1.00 0.00 H new ATOM 0 HB3 CYS A 82 20.494 -13.063 -8.248 1.00 0.00 H new ATOM 0 HG CYS A 82 22.795 -14.840 -7.654 1.00 0.00 H new ATOM 775 N ASP A 83 20.697 -15.487 -11.841 1.00 0.00 N ATOM 776 CA ASP A 83 21.449 -16.224 -12.846 1.00 0.00 C ATOM 777 C ASP A 83 22.865 -16.494 -12.436 1.00 0.00 C ATOM 778 O ASP A 83 23.855 -15.971 -12.971 1.00 0.00 O ATOM 779 CB ASP A 83 21.282 -15.718 -14.249 1.00 0.00 C ATOM 780 CG ASP A 83 22.014 -16.560 -15.289 1.00 0.00 C ATOM 781 OD1 ASP A 83 21.606 -17.715 -15.535 1.00 0.00 O ATOM 782 OD2 ASP A 83 22.981 -16.067 -15.910 1.00 0.00 O ATOM 0 H ASP A 83 19.856 -15.973 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 83 20.979 -17.207 -12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.220 -15.694 -14.494 1.00 0.00 H new ATOM 0 HB3 ASP A 83 21.645 -14.692 -14.303 1.00 0.00 H new ATOM 787 N GLY A 84 22.900 -17.153 -11.351 1.00 0.00 N ATOM 788 CA GLY A 84 24.092 -17.686 -10.778 1.00 0.00 C ATOM 789 C GLY A 84 24.996 -16.701 -10.058 1.00 0.00 C ATOM 790 O GLY A 84 26.114 -17.062 -9.716 1.00 0.00 O ATOM 0 H GLY A 84 22.065 -17.353 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.812 -18.469 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.669 -18.162 -11.571 1.00 0.00 H new ATOM 794 N ASP A 85 24.559 -15.472 -9.796 1.00 0.00 N ATOM 795 CA ASP A 85 25.457 -14.554 -9.118 1.00 0.00 C ATOM 796 C ASP A 85 25.213 -14.664 -7.639 1.00 0.00 C ATOM 797 O ASP A 85 24.184 -14.214 -7.138 1.00 0.00 O ATOM 798 CB ASP A 85 25.258 -13.117 -9.569 1.00 0.00 C ATOM 799 CG ASP A 85 26.341 -12.201 -9.030 1.00 0.00 C ATOM 800 OD1 ASP A 85 26.209 -11.668 -7.919 1.00 0.00 O ATOM 801 OD2 ASP A 85 27.346 -12.004 -9.728 1.00 0.00 O ATOM 0 H ASP A 85 23.636 -15.105 -10.030 1.00 0.00 H new ATOM 0 HA ASP A 85 26.483 -14.825 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.256 -13.075 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.283 -12.763 -9.234 1.00 0.00 H new ATOM 806 N LEU A 86 26.120 -15.274 -6.948 1.00 0.00 N ATOM 807 CA LEU A 86 25.944 -15.522 -5.518 1.00 0.00 C ATOM 808 C LEU A 86 25.858 -14.281 -4.685 1.00 0.00 C ATOM 809 O LEU A 86 25.038 -14.201 -3.771 1.00 0.00 O ATOM 810 CB LEU A 86 27.007 -16.451 -4.965 1.00 0.00 C ATOM 811 CG LEU A 86 26.814 -17.966 -5.169 1.00 0.00 C ATOM 812 CD1 LEU A 86 25.549 -18.446 -4.478 1.00 0.00 C ATOM 813 CD2 LEU A 86 26.794 -18.348 -6.643 1.00 0.00 C ATOM 0 H LEU A 86 26.999 -15.618 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 86 24.973 -16.012 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 86 27.961 -16.172 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 27.090 -16.265 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 86 27.672 -18.462 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 86 25.433 -19.518 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 86 25.618 -18.241 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 86 24.687 -17.923 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 86 26.656 -19.425 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.974 -17.832 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 86 27.738 -18.061 -7.106 1.00 0.00 H new ATOM 825 N ASN A 87 26.687 -13.342 -4.993 1.00 0.00 N ATOM 826 CA ASN A 87 26.703 -12.049 -4.310 1.00 0.00 C ATOM 827 C ASN A 87 25.329 -11.397 -4.409 1.00 0.00 C ATOM 828 O ASN A 87 24.741 -10.967 -3.400 1.00 0.00 O ATOM 829 CB ASN A 87 27.723 -11.148 -4.993 1.00 0.00 C ATOM 830 CG ASN A 87 28.003 -9.854 -4.250 1.00 0.00 C ATOM 831 OD1 ASN A 87 27.954 -9.795 -3.023 1.00 0.00 O ATOM 832 ND2 ASN A 87 28.288 -8.815 -4.989 1.00 0.00 N ATOM 0 H ASN A 87 27.387 -13.430 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 87 26.962 -12.194 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 87 28.657 -11.697 -5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 87 27.367 -10.909 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.480 -7.914 -4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 87 28.319 -8.905 -6.005 1.00 0.00 H new ATOM 839 N LYS A 88 24.800 -11.410 -5.625 1.00 0.00 N ATOM 840 CA LYS A 88 23.483 -10.872 -5.937 1.00 0.00 C ATOM 841 C LYS A 88 22.436 -11.590 -5.112 1.00 0.00 C ATOM 842 O LYS A 88 21.606 -10.969 -4.450 1.00 0.00 O ATOM 843 CB LYS A 88 23.159 -11.166 -7.403 1.00 0.00 C ATOM 844 CG LYS A 88 21.920 -10.447 -7.963 1.00 0.00 C ATOM 845 CD LYS A 88 22.236 -9.082 -8.574 1.00 0.00 C ATOM 846 CE LYS A 88 23.123 -9.234 -9.814 1.00 0.00 C ATOM 847 NZ LYS A 88 23.263 -7.982 -10.582 1.00 0.00 N ATOM 0 H LYS A 88 25.281 -11.801 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 88 23.482 -9.802 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 88 24.022 -10.892 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 88 23.017 -12.241 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 88 21.455 -11.077 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 88 21.191 -10.319 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 88 21.309 -8.576 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 88 22.738 -8.456 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 88 24.111 -9.577 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.704 -10.005 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.672 -8.031 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.958 -7.179 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 24.258 -7.852 -10.856 1.00 0.00 H new ATOM 861 N ALA A 89 22.535 -12.906 -5.129 1.00 0.00 N ATOM 862 CA ALA A 89 21.561 -13.775 -4.470 1.00 0.00 C ATOM 863 C ALA A 89 21.517 -13.591 -2.968 1.00 0.00 C ATOM 864 O ALA A 89 20.427 -13.469 -2.382 1.00 0.00 O ATOM 865 CB ALA A 89 21.825 -15.234 -4.814 1.00 0.00 C ATOM 0 H ALA A 89 23.289 -13.408 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 89 20.583 -13.482 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 89 21.090 -15.864 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.749 -15.373 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.826 -15.511 -4.482 1.00 0.00 H new ATOM 871 N ILE A 90 22.673 -13.569 -2.346 1.00 0.00 N ATOM 872 CA ILE A 90 22.749 -13.410 -0.913 1.00 0.00 C ATOM 873 C ILE A 90 22.219 -12.052 -0.482 1.00 0.00 C ATOM 874 O ILE A 90 21.361 -11.966 0.416 1.00 0.00 O ATOM 875 CB ILE A 90 24.185 -13.673 -0.376 1.00 0.00 C ATOM 876 CG1 ILE A 90 24.590 -15.122 -0.705 1.00 0.00 C ATOM 877 CG2 ILE A 90 24.269 -13.416 1.131 1.00 0.00 C ATOM 878 CD1 ILE A 90 26.000 -15.491 -0.311 1.00 0.00 C ATOM 0 H ILE A 90 23.576 -13.660 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 90 22.106 -14.167 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 90 24.876 -12.984 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 90 23.899 -15.800 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 90 24.474 -15.282 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 90 25.285 -13.608 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 90 24.005 -12.379 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 90 23.577 -14.078 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 90 26.194 -16.529 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 90 26.705 -14.843 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 90 26.121 -15.368 0.765 1.00 0.00 H new ATOM 890 N LYS A 91 22.662 -10.999 -1.167 1.00 0.00 N ATOM 891 CA LYS A 91 22.199 -9.664 -0.835 1.00 0.00 C ATOM 892 C LYS A 91 20.711 -9.504 -1.018 1.00 0.00 C ATOM 893 O LYS A 91 20.038 -8.951 -0.140 1.00 0.00 O ATOM 894 CB LYS A 91 22.972 -8.559 -1.579 1.00 0.00 C ATOM 895 CG LYS A 91 24.298 -8.144 -0.925 1.00 0.00 C ATOM 896 CD LYS A 91 25.337 -9.245 -0.917 1.00 0.00 C ATOM 897 CE LYS A 91 26.609 -8.791 -0.231 1.00 0.00 C ATOM 898 NZ LYS A 91 27.662 -9.810 -0.312 1.00 0.00 N ATOM 0 H LYS A 91 23.327 -11.047 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 91 22.411 -9.541 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 91 23.175 -8.899 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 91 22.333 -7.680 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 91 24.700 -7.280 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 91 24.105 -7.829 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 91 24.938 -10.122 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 91 25.560 -9.546 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 91 26.960 -7.867 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 91 26.399 -8.567 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 28.446 -9.550 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 27.276 -10.732 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 28.011 -9.872 -1.290 1.00 0.00 H new ATOM 912 N PHE A 92 20.197 -10.034 -2.113 1.00 0.00 N ATOM 913 CA PHE A 92 18.787 -9.938 -2.426 1.00 0.00 C ATOM 914 C PHE A 92 17.944 -10.659 -1.377 1.00 0.00 C ATOM 915 O PHE A 92 16.936 -10.126 -0.914 1.00 0.00 O ATOM 916 CB PHE A 92 18.529 -10.472 -3.841 1.00 0.00 C ATOM 917 CG PHE A 92 17.131 -10.276 -4.361 1.00 0.00 C ATOM 918 CD1 PHE A 92 16.728 -9.039 -4.827 1.00 0.00 C ATOM 919 CD2 PHE A 92 16.231 -11.318 -4.399 1.00 0.00 C ATOM 920 CE1 PHE A 92 15.462 -8.847 -5.322 1.00 0.00 C ATOM 921 CE2 PHE A 92 14.959 -11.129 -4.897 1.00 0.00 C ATOM 922 CZ PHE A 92 14.574 -9.895 -5.358 1.00 0.00 C ATOM 0 H PHE A 92 20.745 -10.541 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 92 18.487 -8.890 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 92 19.224 -9.987 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 92 18.758 -11.538 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 92 17.420 -8.210 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 92 16.524 -12.292 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.164 -7.873 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 92 14.263 -11.955 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.577 -9.748 -5.747 1.00 0.00 H new ATOM 932 N LYS A 93 18.383 -11.853 -0.979 1.00 0.00 N ATOM 933 CA LYS A 93 17.675 -12.629 0.043 1.00 0.00 C ATOM 934 C LYS A 93 17.593 -11.866 1.374 1.00 0.00 C ATOM 935 O LYS A 93 16.519 -11.796 2.006 1.00 0.00 O ATOM 936 CB LYS A 93 18.368 -13.970 0.289 1.00 0.00 C ATOM 937 CG LYS A 93 17.640 -14.826 1.308 1.00 0.00 C ATOM 938 CD LYS A 93 18.403 -16.077 1.660 1.00 0.00 C ATOM 939 CE LYS A 93 17.643 -16.867 2.700 1.00 0.00 C ATOM 940 NZ LYS A 93 18.422 -17.997 3.231 1.00 0.00 N ATOM 0 H LYS A 93 19.221 -12.304 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 93 16.667 -12.800 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.440 -14.515 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.387 -13.790 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.469 -14.242 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.661 -15.100 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.554 -16.685 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.391 -15.816 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.363 -16.206 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.718 -17.242 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.856 -18.506 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.668 -18.644 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.293 -17.641 3.674 1.00 0.00 H new ATOM 954 N ILE A 94 18.720 -11.278 1.784 1.00 0.00 N ATOM 955 CA ILE A 94 18.772 -10.513 3.034 1.00 0.00 C ATOM 956 C ILE A 94 17.787 -9.347 2.973 1.00 0.00 C ATOM 957 O ILE A 94 17.033 -9.077 3.934 1.00 0.00 O ATOM 958 CB ILE A 94 20.212 -9.989 3.322 1.00 0.00 C ATOM 959 CG1 ILE A 94 21.190 -11.169 3.451 1.00 0.00 C ATOM 960 CG2 ILE A 94 20.239 -9.133 4.588 1.00 0.00 C ATOM 961 CD1 ILE A 94 22.638 -10.760 3.630 1.00 0.00 C ATOM 0 H ILE A 94 19.602 -11.316 1.274 1.00 0.00 H new ATOM 0 HA ILE A 94 18.491 -11.179 3.850 1.00 0.00 H new ATOM 0 HB ILE A 94 20.523 -9.364 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 94 20.890 -11.783 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 94 21.108 -11.793 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 94 21.255 -8.780 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.574 -8.278 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.908 -9.730 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 94 23.260 -11.651 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 94 22.959 -10.172 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 94 22.738 -10.162 4.536 1.00 0.00 H new ATOM 973 N LEU A 95 17.752 -8.706 1.818 1.00 0.00 N ATOM 974 CA LEU A 95 16.860 -7.599 1.583 1.00 0.00 C ATOM 975 C LEU A 95 15.415 -8.036 1.686 1.00 0.00 C ATOM 976 O LEU A 95 14.601 -7.320 2.220 1.00 0.00 O ATOM 977 CB LEU A 95 17.153 -6.971 0.227 1.00 0.00 C ATOM 978 CG LEU A 95 18.562 -6.410 0.066 1.00 0.00 C ATOM 979 CD1 LEU A 95 18.787 -5.920 -1.337 1.00 0.00 C ATOM 980 CD2 LEU A 95 18.811 -5.292 1.059 1.00 0.00 C ATOM 0 H LEU A 95 18.343 -8.943 1.021 1.00 0.00 H new ATOM 0 HA LEU A 95 17.028 -6.846 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 95 16.986 -7.720 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 95 16.437 -6.168 0.053 1.00 0.00 H new ATOM 0 HG LEU A 95 19.268 -7.216 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.799 -5.525 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 95 18.657 -6.746 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 95 18.069 -5.133 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.822 -4.906 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 95 18.092 -4.490 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 95 18.699 -5.675 2.073 1.00 0.00 H new ATOM 992 N ILE A 96 15.112 -9.226 1.194 1.00 0.00 N ATOM 993 CA ILE A 96 13.772 -9.779 1.310 1.00 0.00 C ATOM 994 C ILE A 96 13.350 -10.011 2.748 1.00 0.00 C ATOM 995 O ILE A 96 12.200 -9.720 3.112 1.00 0.00 O ATOM 996 CB ILE A 96 13.572 -11.059 0.472 1.00 0.00 C ATOM 997 CG1 ILE A 96 13.692 -10.726 -0.992 1.00 0.00 C ATOM 998 CG2 ILE A 96 12.219 -11.708 0.755 1.00 0.00 C ATOM 999 CD1 ILE A 96 13.645 -11.942 -1.885 1.00 0.00 C ATOM 0 H ILE A 96 15.777 -9.829 0.710 1.00 0.00 H new ATOM 0 HA ILE A 96 13.118 -9.012 0.896 1.00 0.00 H new ATOM 0 HB ILE A 96 14.346 -11.774 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 96 12.886 -10.047 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 96 14.629 -10.195 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.112 -12.607 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.157 -11.974 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.421 -11.007 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.736 -11.633 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 96 14.467 -12.611 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.697 -12.461 -1.743 1.00 0.00 H new ATOM 1011 N ASN A 97 14.246 -10.530 3.573 1.00 0.00 N ATOM 1012 CA ASN A 97 13.881 -10.726 4.973 1.00 0.00 C ATOM 1013 C ASN A 97 13.571 -9.376 5.614 1.00 0.00 C ATOM 1014 O ASN A 97 12.583 -9.239 6.350 1.00 0.00 O ATOM 1015 CB ASN A 97 14.945 -11.491 5.771 1.00 0.00 C ATOM 1016 CG ASN A 97 14.422 -11.930 7.144 1.00 0.00 C ATOM 1017 OD1 ASN A 97 13.798 -12.993 7.271 1.00 0.00 O ATOM 1018 ND2 ASN A 97 14.663 -11.150 8.168 1.00 0.00 N ATOM 0 H ASN A 97 15.192 -10.813 3.317 1.00 0.00 H new ATOM 0 HA ASN A 97 12.989 -11.352 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.263 -12.367 5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.824 -10.860 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.335 -11.412 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.179 -10.280 8.036 1.00 0.00 H new ATOM 1025 N LYS A 98 14.387 -8.363 5.273 1.00 0.00 N ATOM 1026 CA LYS A 98 14.143 -6.987 5.732 1.00 0.00 C ATOM 1027 C LYS A 98 12.812 -6.459 5.186 1.00 0.00 C ATOM 1028 O LYS A 98 12.030 -5.855 5.904 1.00 0.00 O ATOM 1029 CB LYS A 98 15.273 -6.047 5.295 1.00 0.00 C ATOM 1030 CG LYS A 98 16.629 -6.362 5.894 1.00 0.00 C ATOM 1031 CD LYS A 98 17.659 -5.325 5.480 1.00 0.00 C ATOM 1032 CE LYS A 98 19.020 -5.642 6.063 1.00 0.00 C ATOM 1033 NZ LYS A 98 20.032 -4.639 5.700 1.00 0.00 N ATOM 0 H LYS A 98 15.214 -8.471 4.686 1.00 0.00 H new ATOM 0 HA LYS A 98 14.104 -7.012 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.355 -6.080 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.001 -5.026 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 98 16.553 -6.391 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 98 16.953 -7.351 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 98 17.726 -5.289 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 98 17.339 -4.338 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 98 18.943 -5.700 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 98 19.343 -6.623 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 20.946 -4.900 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 20.127 -4.601 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 19.740 -3.706 6.056 1.00 0.00 H new ATOM 1047 N MET A 99 12.572 -6.754 3.923 1.00 0.00 N ATOM 1048 CA MET A 99 11.379 -6.351 3.167 1.00 0.00 C ATOM 1049 C MET A 99 10.127 -6.861 3.850 1.00 0.00 C ATOM 1050 O MET A 99 9.129 -6.145 3.967 1.00 0.00 O ATOM 1051 CB MET A 99 11.521 -6.962 1.736 1.00 0.00 C ATOM 1052 CG MET A 99 10.510 -6.571 0.648 1.00 0.00 C ATOM 1053 SD MET A 99 8.805 -7.121 0.923 1.00 0.00 S ATOM 1054 CE MET A 99 9.003 -8.902 0.848 1.00 0.00 C ATOM 0 H MET A 99 13.224 -7.304 3.363 1.00 0.00 H new ATOM 0 HA MET A 99 11.296 -5.265 3.113 1.00 0.00 H new ATOM 0 HB2 MET A 99 12.514 -6.706 1.367 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.489 -8.047 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.511 -5.485 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.854 -6.976 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.025 -9.373 0.750 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.620 -9.164 -0.012 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.485 -9.253 1.760 1.00 0.00 H new ATOM 1064 N ARG A 100 10.193 -8.076 4.330 1.00 0.00 N ATOM 1065 CA ARG A 100 9.058 -8.675 4.960 1.00 0.00 C ATOM 1066 C ARG A 100 8.932 -8.270 6.427 1.00 0.00 C ATOM 1067 O ARG A 100 7.912 -7.719 6.839 1.00 0.00 O ATOM 1068 CB ARG A 100 9.136 -10.196 4.846 1.00 0.00 C ATOM 1069 CG ARG A 100 7.947 -10.911 5.453 1.00 0.00 C ATOM 1070 CD ARG A 100 8.105 -12.406 5.372 1.00 0.00 C ATOM 1071 NE ARG A 100 6.949 -13.112 5.915 1.00 0.00 N ATOM 1072 CZ ARG A 100 6.791 -14.443 5.931 1.00 0.00 C ATOM 1073 NH1 ARG A 100 7.743 -15.253 5.455 1.00 0.00 N ATOM 1074 NH2 ARG A 100 5.689 -14.951 6.443 1.00 0.00 N ATOM 0 H ARG A 100 11.024 -8.666 4.294 1.00 0.00 H new ATOM 0 HA ARG A 100 8.170 -8.312 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.216 -10.470 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.046 -10.543 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.834 -10.612 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.036 -10.611 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.252 -12.698 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.000 -12.705 5.917 1.00 0.00 H new ATOM 0 HE ARG A 100 6.200 -12.547 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.603 -14.860 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.609 -16.264 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.970 -14.334 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.554 -15.962 6.462 1.00 0.00 H new ATOM 1088 N ASP A 101 9.966 -8.532 7.204 1.00 0.00 N ATOM 1089 CA ASP A 101 9.894 -8.331 8.653 1.00 0.00 C ATOM 1090 C ASP A 101 9.920 -6.867 9.059 1.00 0.00 C ATOM 1091 O ASP A 101 9.175 -6.442 9.939 1.00 0.00 O ATOM 1092 CB ASP A 101 10.983 -9.114 9.375 1.00 0.00 C ATOM 1093 CG ASP A 101 10.799 -9.093 10.876 1.00 0.00 C ATOM 1094 OD1 ASP A 101 9.955 -9.865 11.385 1.00 0.00 O ATOM 1095 OD2 ASP A 101 11.479 -8.320 11.572 1.00 0.00 O ATOM 0 H ASP A 101 10.863 -8.882 6.867 1.00 0.00 H new ATOM 0 HA ASP A 101 8.923 -8.719 8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.980 -10.146 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.957 -8.695 9.124 1.00 0.00 H new ATOM 1100 N SER A 102 10.736 -6.102 8.399 1.00 0.00 N ATOM 1101 CA SER A 102 10.899 -4.701 8.718 1.00 0.00 C ATOM 1102 C SER A 102 10.183 -3.829 7.691 1.00 0.00 C ATOM 1103 O SER A 102 9.053 -4.142 7.272 1.00 0.00 O ATOM 1104 CB SER A 102 12.384 -4.364 8.750 1.00 0.00 C ATOM 1105 OG SER A 102 13.079 -5.234 9.645 1.00 0.00 O ATOM 0 H SER A 102 11.312 -6.424 7.621 1.00 0.00 H new ATOM 0 HA SER A 102 10.459 -4.504 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.804 -4.453 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.521 -3.329 9.062 1.00 0.00 H new ATOM 0 HG SER A 102 14.032 -5.004 9.651 1.00 0.00 H new TER 1111 SER A 102 END