USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) HEADER PROTEIN BINDING 14-AUG-13 2MC5 TITLE A BACTERIOPHAGE TRANSCRIPTION REGULATOR INHIBITS BACTERIAL TITLE 2 TRANSCRIPTION INITIATION BY -FACTOR DISPLACEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: 45L; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RNA POLYMERASE INHIBITOR P7; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS PHAGE XP10; SOURCE 3 ORGANISM_TAXID: 232237; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_VECTOR: PET46 KEYWDS P7, RNAP, SIGMA FACTOR, PROTEIN BINDING EXPDTA SOLUTION NMR AUTHOR B.LIU,A.SHADRIN,C.SHEPPARD,Y.XU,K.SEVERINOV,S.MATTHEWS, AUTHOR 2 S.WIGNESHWERARAJ REVDAT 2 30-APR-14 2MC5 1 JRNL REVDAT 1 26-MAR-14 2MC5 0 JRNL AUTH B.LIU,A.SHADRIN,C.SHEPPARD,V.MEKLER,Y.XU,K.SEVERINOV, JRNL AUTH 2 S.MATTHEWS,S.WIGNESHWERARAJ JRNL TITL A BACTERIOPHAGE TRANSCRIPTION REGULATOR INHIBITS BACTERIAL JRNL TITL 2 TRANSCRIPTION INITIATION BY SIGMA-FACTOR DISPLACEMENT. JRNL REF NUCLEIC ACIDS RES. V. 42 4294 2014 JRNL REFN ISSN 0305-1048 JRNL PMID 24482445 JRNL DOI 10.1093/NAR/GKU080 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MC5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-AUG-13. REMARK 100 THE RCSB ID CODE IS RCSB103462. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 8.7 REMARK 210 IONIC STRENGTH : 10 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 5 MM SODIUM CHLORIDE, 5 MM REMARK 210 POTASSIUM PHOSPHATE, 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D CBCA(CO)NH; REMARK 210 3D HNCO; 3D HNCA; 3D 1H-15N REMARK 210 NOESY; 3D HNCACB; 3D 1H-13C REMARK 210 NOESY; 3D HBHA(CO)NH; 3D HCCH- REMARK 210 TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ARIA REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES REMARK 210 SUBMITTED REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 12 57.00 -170.09 REMARK 500 SER A 20 -50.52 76.39 REMARK 500 ASP A 66 103.34 -44.37 REMARK 500 LEU A 67 -31.88 171.41 REMARK 500 THR A 68 89.93 54.80 REMARK 500 LEU A 71 -63.75 -121.53 REMARK 500 THR A 72 97.20 65.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19428 RELATED DB: BMRB REMARK 900 RELATED ID: 2MC6 RELATED DB: PDB DBREF 2MC5 A 1 73 UNP Q8LTJ5 Q8LTJ5_9CAUD 1 73 SEQRES 1 A 73 MET ASN GLU PHE THR GLN ILE SER GLY TYR VAL ASN ALA SEQRES 2 A 73 PHE GLY SER GLN ARG GLY SER VAL LEU THR VAL LYS VAL SEQRES 3 A 73 GLU ASN ASP GLU GLY TRP THR LEU VAL GLU GLU ASP PHE SEQRES 4 A 73 ASP ARG ALA ASP TYR GLY SER ASP PRO GLU PHE VAL ALA SEQRES 5 A 73 GLU VAL SER SER TYR LEU LYS ARG ASN GLY GLY ILE LYS SEQRES 6 A 73 ASP LEU THR LYS VAL LEU THR ARG HELIX 1 1 ASP A 40 TYR A 44 5 5 HELIX 2 2 SER A 46 GLY A 62 1 17 SHEET 1 A 3 ALA A 13 ARG A 18 0 SHEET 2 A 3 VAL A 21 GLU A 27 -1 O LYS A 25 N PHE A 14 SHEET 3 A 3 THR A 33 PHE A 39 -1 O PHE A 39 N LEU A 22 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 10 TYR OH : rot -111:sc= 1.14 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -127:sc= 0.0498 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.11) USER MOD Set 2.2: A 33 THR OG1 : rot -24:sc=-0.00619 USER MOD Set 3.1: A 6 GLN : amide:sc= 1.16 K(o=1.1,f=-2.1) USER MOD Set 3.2: A 12 ASN : amide:sc= -0.0178 K(o=1.1,f=-3.9!) USER MOD Set 4.1: A 2 ASN : amide:sc= -1.98 K(o=-4.9,f=-8!) USER MOD Set 4.2: A 16 SER OG : rot 154:sc= -2.9 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.139 (180deg=-0.731) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0642) USER MOD Single : A 5 THR OG1 : rot -38:sc= 0.34 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.76 K(o=-0.76,f=-9.3!) USER MOD Single : A 44 TYR OH : rot 67:sc= 0.845 USER MOD Single : A 46 SER OG : rot 180:sc= -0.532 USER MOD Single : A 55 SER OG : rot -81:sc= 1.19 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -2.77! C(o=-4!,f=-2.8!) USER MOD Single : A 68 THR OG1 : rot 11:sc= 1.03 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0371 (180deg=-0.249) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.148 -14.744 0.074 1.00 0.00 N ATOM 2 CA MET A 1 -10.766 -13.429 -0.226 1.00 0.00 C ATOM 3 C MET A 1 -9.700 -12.354 -0.387 1.00 0.00 C ATOM 4 O MET A 1 -9.643 -11.677 -1.413 1.00 0.00 O ATOM 5 CB MET A 1 -11.742 -13.021 0.884 1.00 0.00 C ATOM 6 CG MET A 1 -12.964 -13.919 0.993 1.00 0.00 C ATOM 7 SD MET A 1 -14.085 -13.405 2.311 1.00 0.00 S ATOM 8 CE MET A 1 -14.531 -11.762 1.754 1.00 0.00 C ATOM 0 H1 MET A 1 -10.877 -15.485 0.046 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.415 -14.953 -0.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.718 -14.718 1.021 1.00 0.00 H new ATOM 0 HA MET A 1 -11.314 -13.527 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.214 -13.025 1.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.071 -11.997 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.499 -13.915 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.642 -14.945 1.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.467 -11.460 2.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.744 -11.059 2.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.654 -11.766 0.671 1.00 0.00 H new ATOM 20 N ASN A 2 -8.860 -12.197 0.631 1.00 0.00 N ATOM 21 CA ASN A 2 -7.785 -11.217 0.585 1.00 0.00 C ATOM 22 C ASN A 2 -6.624 -11.788 -0.215 1.00 0.00 C ATOM 23 O ASN A 2 -6.255 -12.951 -0.039 1.00 0.00 O ATOM 24 CB ASN A 2 -7.326 -10.850 1.999 1.00 0.00 C ATOM 25 CG ASN A 2 -6.630 -9.502 2.068 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.986 -8.581 1.352 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.604 -9.372 2.895 1.00 0.00 N ATOM 0 H ASN A 2 -8.904 -12.736 1.496 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.149 -10.309 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.190 -10.841 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.649 -11.621 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.095 -8.489 2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.322 -10.155 3.485 1.00 0.00 H new ATOM 34 N GLU A 3 -6.062 -10.980 -1.092 1.00 0.00 N ATOM 35 CA GLU A 3 -5.000 -11.435 -1.974 1.00 0.00 C ATOM 36 C GLU A 3 -4.065 -10.288 -2.341 1.00 0.00 C ATOM 37 O GLU A 3 -4.345 -9.522 -3.267 1.00 0.00 O ATOM 38 CB GLU A 3 -5.591 -12.044 -3.230 1.00 0.00 C ATOM 39 CG GLU A 3 -4.563 -12.729 -4.117 1.00 0.00 C ATOM 40 CD GLU A 3 -5.160 -13.277 -5.396 1.00 0.00 C ATOM 41 OE1 GLU A 3 -5.679 -14.415 -5.380 1.00 0.00 O ATOM 42 OE2 GLU A 3 -5.100 -12.579 -6.432 1.00 0.00 O ATOM 0 H GLU A 3 -6.323 -10.002 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.421 -12.193 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.355 -12.768 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.089 -11.262 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.774 -12.019 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.096 -13.543 -3.562 1.00 0.00 H new ATOM 49 N PHE A 4 -2.989 -10.138 -1.567 1.00 0.00 N ATOM 50 CA PHE A 4 -1.960 -9.155 -1.851 1.00 0.00 C ATOM 51 C PHE A 4 -1.513 -9.215 -3.302 1.00 0.00 C ATOM 52 O PHE A 4 -1.157 -10.276 -3.823 1.00 0.00 O ATOM 53 CB PHE A 4 -0.743 -9.357 -0.945 1.00 0.00 C ATOM 54 CG PHE A 4 -0.940 -8.877 0.463 1.00 0.00 C ATOM 55 CD1 PHE A 4 -0.878 -7.524 0.760 1.00 0.00 C ATOM 56 CD2 PHE A 4 -1.197 -9.773 1.486 1.00 0.00 C ATOM 57 CE1 PHE A 4 -1.068 -7.077 2.054 1.00 0.00 C ATOM 58 CE2 PHE A 4 -1.389 -9.331 2.782 1.00 0.00 C ATOM 59 CZ PHE A 4 -1.324 -7.982 3.065 1.00 0.00 C ATOM 0 H PHE A 4 -2.813 -10.695 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.399 -8.176 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.491 -10.417 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.110 -8.836 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.679 -6.812 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.248 -10.830 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.016 -6.021 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.589 -10.040 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.473 -7.634 4.077 1.00 0.00 H new ATOM 69 N THR A 5 -1.548 -8.067 -3.939 1.00 0.00 N ATOM 70 CA THR A 5 -1.086 -7.930 -5.303 1.00 0.00 C ATOM 71 C THR A 5 -0.071 -6.805 -5.379 1.00 0.00 C ATOM 72 O THR A 5 -0.314 -5.710 -4.873 1.00 0.00 O ATOM 73 CB THR A 5 -2.248 -7.653 -6.275 1.00 0.00 C ATOM 74 OG1 THR A 5 -3.137 -6.675 -5.726 1.00 0.00 O ATOM 75 CG2 THR A 5 -3.016 -8.927 -6.591 1.00 0.00 C ATOM 0 H THR A 5 -1.897 -7.202 -3.527 1.00 0.00 H new ATOM 0 HA THR A 5 -0.625 -8.872 -5.601 1.00 0.00 H new ATOM 0 HB THR A 5 -1.821 -7.269 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.221 -6.815 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.830 -8.700 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.344 -9.652 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.425 -9.343 -5.670 1.00 0.00 H new ATOM 83 N GLN A 6 1.074 -7.089 -5.978 1.00 0.00 N ATOM 84 CA GLN A 6 2.160 -6.127 -6.047 1.00 0.00 C ATOM 85 C GLN A 6 1.722 -4.902 -6.832 1.00 0.00 C ATOM 86 O GLN A 6 1.152 -5.022 -7.918 1.00 0.00 O ATOM 87 CB GLN A 6 3.381 -6.762 -6.700 1.00 0.00 C ATOM 88 CG GLN A 6 4.695 -6.113 -6.298 1.00 0.00 C ATOM 89 CD GLN A 6 5.854 -6.561 -7.167 1.00 0.00 C ATOM 90 OE1 GLN A 6 5.687 -6.841 -8.354 1.00 0.00 O ATOM 91 NE2 GLN A 6 7.035 -6.646 -6.579 1.00 0.00 N ATOM 0 H GLN A 6 1.275 -7.983 -6.426 1.00 0.00 H new ATOM 0 HA GLN A 6 2.424 -5.819 -5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.413 -7.820 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.274 -6.705 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.596 -5.029 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.912 -6.353 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.132 -6.405 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.849 -6.953 -7.112 1.00 0.00 H new ATOM 100 N ILE A 7 1.988 -3.730 -6.285 1.00 0.00 N ATOM 101 CA ILE A 7 1.501 -2.503 -6.877 1.00 0.00 C ATOM 102 C ILE A 7 2.457 -2.012 -7.948 1.00 0.00 C ATOM 103 O ILE A 7 3.652 -1.825 -7.694 1.00 0.00 O ATOM 104 CB ILE A 7 1.302 -1.400 -5.823 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.404 -1.896 -4.690 1.00 0.00 C ATOM 106 CG2 ILE A 7 0.706 -0.162 -6.476 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.225 -0.883 -3.583 1.00 0.00 C ATOM 0 H ILE A 7 2.537 -3.604 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 7 0.533 -2.725 -7.326 1.00 0.00 H new ATOM 0 HB ILE A 7 2.271 -1.140 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.573 -2.156 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.828 -2.809 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.568 0.615 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.380 0.200 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.257 -0.413 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.423 -1.298 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.196 -0.641 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.227 0.022 -3.988 1.00 0.00 H new ATOM 119 N SER A 8 1.923 -1.811 -9.141 1.00 0.00 N ATOM 120 CA SER A 8 2.710 -1.342 -10.261 1.00 0.00 C ATOM 121 C SER A 8 3.202 0.080 -10.012 1.00 0.00 C ATOM 122 O SER A 8 2.407 1.010 -9.847 1.00 0.00 O ATOM 123 CB SER A 8 1.884 -1.408 -11.552 1.00 0.00 C ATOM 124 OG SER A 8 2.609 -0.898 -12.662 1.00 0.00 O ATOM 0 H SER A 8 0.938 -1.968 -9.356 1.00 0.00 H new ATOM 0 HA SER A 8 3.580 -1.989 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.596 -2.441 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.963 -0.839 -11.425 1.00 0.00 H new ATOM 0 HG SER A 8 2.056 -0.956 -13.469 1.00 0.00 H new ATOM 130 N GLY A 9 4.516 0.236 -9.971 1.00 0.00 N ATOM 131 CA GLY A 9 5.100 1.544 -9.794 1.00 0.00 C ATOM 132 C GLY A 9 5.621 1.772 -8.390 1.00 0.00 C ATOM 133 O GLY A 9 5.788 2.915 -7.974 1.00 0.00 O ATOM 0 H GLY A 9 5.189 -0.525 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.917 1.671 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.354 2.304 -10.027 1.00 0.00 H new ATOM 137 N TYR A 10 5.880 0.695 -7.653 1.00 0.00 N ATOM 138 CA TYR A 10 6.425 0.813 -6.302 1.00 0.00 C ATOM 139 C TYR A 10 7.513 -0.223 -6.043 1.00 0.00 C ATOM 140 O TYR A 10 7.604 -1.220 -6.758 1.00 0.00 O ATOM 141 CB TYR A 10 5.321 0.683 -5.245 1.00 0.00 C ATOM 142 CG TYR A 10 4.507 1.942 -5.064 1.00 0.00 C ATOM 143 CD1 TYR A 10 5.119 3.129 -4.691 1.00 0.00 C ATOM 144 CD2 TYR A 10 3.136 1.949 -5.276 1.00 0.00 C ATOM 145 CE1 TYR A 10 4.390 4.287 -4.531 1.00 0.00 C ATOM 146 CE2 TYR A 10 2.397 3.104 -5.122 1.00 0.00 C ATOM 147 CZ TYR A 10 3.030 4.270 -4.749 1.00 0.00 C ATOM 148 OH TYR A 10 2.306 5.429 -4.607 1.00 0.00 O ATOM 0 H TYR A 10 5.723 -0.263 -7.965 1.00 0.00 H new ATOM 0 HA TYR A 10 6.870 1.805 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.655 -0.133 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.773 0.412 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.186 3.146 -4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.639 1.035 -5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.882 5.202 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.331 3.094 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 10 1.720 5.355 -3.825 1.00 0.00 H new ATOM 158 N VAL A 11 8.331 0.023 -5.025 1.00 0.00 N ATOM 159 CA VAL A 11 9.467 -0.839 -4.714 1.00 0.00 C ATOM 160 C VAL A 11 9.037 -2.287 -4.476 1.00 0.00 C ATOM 161 O VAL A 11 9.562 -3.204 -5.116 1.00 0.00 O ATOM 162 CB VAL A 11 10.250 -0.301 -3.489 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.316 0.006 -2.326 1.00 0.00 C ATOM 164 CG2 VAL A 11 11.332 -1.281 -3.067 1.00 0.00 C ATOM 0 H VAL A 11 8.227 0.819 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 11 10.125 -0.828 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 11 10.730 0.632 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.896 0.381 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.590 0.760 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.792 -0.903 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.868 -0.882 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.876 -2.234 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.029 -1.430 -3.891 1.00 0.00 H new ATOM 174 N ASN A 12 8.061 -2.487 -3.598 1.00 0.00 N ATOM 175 CA ASN A 12 7.515 -3.811 -3.361 1.00 0.00 C ATOM 176 C ASN A 12 6.274 -3.676 -2.506 1.00 0.00 C ATOM 177 O ASN A 12 6.174 -4.244 -1.429 1.00 0.00 O ATOM 178 CB ASN A 12 8.544 -4.704 -2.668 1.00 0.00 C ATOM 179 CG ASN A 12 8.301 -6.177 -2.910 1.00 0.00 C ATOM 180 OD1 ASN A 12 7.747 -6.564 -3.937 1.00 0.00 O ATOM 181 ND2 ASN A 12 8.738 -7.007 -1.980 1.00 0.00 N ATOM 0 H ASN A 12 7.634 -1.747 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 12 7.260 -4.276 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.541 -4.442 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.524 -4.509 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.621 -8.013 -2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.192 -6.642 -1.143 1.00 0.00 H new ATOM 188 N ALA A 13 5.329 -2.904 -2.989 1.00 0.00 N ATOM 189 CA ALA A 13 4.139 -2.621 -2.227 1.00 0.00 C ATOM 190 C ALA A 13 3.047 -3.516 -2.734 1.00 0.00 C ATOM 191 O ALA A 13 3.011 -3.821 -3.920 1.00 0.00 O ATOM 192 CB ALA A 13 3.752 -1.160 -2.381 1.00 0.00 C ATOM 0 H ALA A 13 5.363 -2.461 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 13 4.311 -2.806 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.852 -0.959 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.564 -0.529 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.562 -0.943 -3.432 1.00 0.00 H new ATOM 198 N PHE A 14 2.186 -3.968 -1.860 1.00 0.00 N ATOM 199 CA PHE A 14 1.144 -4.866 -2.272 1.00 0.00 C ATOM 200 C PHE A 14 -0.192 -4.403 -1.750 1.00 0.00 C ATOM 201 O PHE A 14 -0.324 -4.031 -0.585 1.00 0.00 O ATOM 202 CB PHE A 14 1.404 -6.291 -1.781 1.00 0.00 C ATOM 203 CG PHE A 14 2.676 -6.928 -2.288 1.00 0.00 C ATOM 204 CD1 PHE A 14 3.920 -6.477 -1.869 1.00 0.00 C ATOM 205 CD2 PHE A 14 2.621 -7.986 -3.179 1.00 0.00 C ATOM 206 CE1 PHE A 14 5.081 -7.071 -2.328 1.00 0.00 C ATOM 207 CE2 PHE A 14 3.778 -8.582 -3.642 1.00 0.00 C ATOM 208 CZ PHE A 14 5.008 -8.123 -3.218 1.00 0.00 C ATOM 0 H PHE A 14 2.186 -3.731 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 14 1.133 -4.867 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.431 -6.283 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.562 -6.918 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.982 -5.651 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.662 -8.350 -3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.042 -6.713 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.720 -9.407 -4.336 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.913 -8.587 -3.582 1.00 0.00 H new ATOM 218 N GLY A 15 -1.173 -4.433 -2.615 1.00 0.00 N ATOM 219 CA GLY A 15 -2.507 -4.097 -2.222 1.00 0.00 C ATOM 220 C GLY A 15 -3.402 -5.308 -2.248 1.00 0.00 C ATOM 221 O GLY A 15 -3.821 -5.768 -3.305 1.00 0.00 O ATOM 0 H GLY A 15 -1.067 -4.688 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.497 -3.670 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.905 -3.333 -2.890 1.00 0.00 H new ATOM 225 N SER A 16 -3.676 -5.835 -1.077 1.00 0.00 N ATOM 226 CA SER A 16 -4.489 -7.008 -0.940 1.00 0.00 C ATOM 227 C SER A 16 -5.922 -6.591 -0.687 1.00 0.00 C ATOM 228 O SER A 16 -6.215 -5.959 0.328 1.00 0.00 O ATOM 229 CB SER A 16 -3.973 -7.821 0.229 1.00 0.00 C ATOM 230 OG SER A 16 -4.548 -9.098 0.264 1.00 0.00 O ATOM 0 H SER A 16 -3.337 -5.456 -0.193 1.00 0.00 H new ATOM 0 HA SER A 16 -4.447 -7.608 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.889 -7.911 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.190 -7.298 1.160 1.00 0.00 H new ATOM 0 HG SER A 16 -3.942 -9.717 0.721 1.00 0.00 H new ATOM 236 N GLN A 17 -6.815 -6.917 -1.598 1.00 0.00 N ATOM 237 CA GLN A 17 -8.189 -6.485 -1.454 1.00 0.00 C ATOM 238 C GLN A 17 -8.981 -7.463 -0.600 1.00 0.00 C ATOM 239 O GLN A 17 -8.766 -8.673 -0.636 1.00 0.00 O ATOM 240 CB GLN A 17 -8.847 -6.319 -2.810 1.00 0.00 C ATOM 241 CG GLN A 17 -9.252 -7.640 -3.411 1.00 0.00 C ATOM 242 CD GLN A 17 -9.890 -7.513 -4.782 1.00 0.00 C ATOM 243 OE1 GLN A 17 -9.199 -7.509 -5.803 1.00 0.00 O ATOM 244 NE2 GLN A 17 -11.213 -7.427 -4.824 1.00 0.00 N ATOM 0 H GLN A 17 -6.619 -7.470 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.183 -5.518 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.726 -5.682 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.160 -5.810 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.373 -8.280 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.951 -8.137 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.752 -7.433 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.691 -7.355 -5.722 1.00 0.00 H new ATOM 253 N ARG A 18 -9.918 -6.908 0.129 1.00 0.00 N ATOM 254 CA ARG A 18 -10.725 -7.655 1.094 1.00 0.00 C ATOM 255 C ARG A 18 -12.115 -7.030 1.211 1.00 0.00 C ATOM 256 O ARG A 18 -12.428 -6.361 2.194 1.00 0.00 O ATOM 257 CB ARG A 18 -10.030 -7.658 2.470 1.00 0.00 C ATOM 258 CG ARG A 18 -10.793 -8.400 3.570 1.00 0.00 C ATOM 259 CD ARG A 18 -10.905 -9.896 3.301 1.00 0.00 C ATOM 260 NE ARG A 18 -11.917 -10.529 4.154 1.00 0.00 N ATOM 261 CZ ARG A 18 -11.754 -11.683 4.810 1.00 0.00 C ATOM 262 NH1 ARG A 18 -10.595 -12.327 4.768 1.00 0.00 N ATOM 263 NH2 ARG A 18 -12.756 -12.181 5.527 1.00 0.00 N ATOM 0 H ARG A 18 -10.153 -5.917 0.077 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.829 -8.683 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.044 -8.110 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.876 -6.626 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.290 -8.243 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.793 -7.976 3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.159 -10.059 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.938 -10.369 3.472 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.813 -10.053 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.817 -11.943 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.482 -13.206 5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.645 -11.683 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.636 -13.061 6.029 1.00 0.00 H new ATOM 277 N GLY A 19 -12.952 -7.284 0.215 1.00 0.00 N ATOM 278 CA GLY A 19 -14.300 -6.740 0.198 1.00 0.00 C ATOM 279 C GLY A 19 -14.338 -5.232 0.388 1.00 0.00 C ATOM 280 O GLY A 19 -14.588 -4.753 1.498 1.00 0.00 O ATOM 0 H GLY A 19 -12.720 -7.864 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.775 -6.993 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.886 -7.214 0.985 1.00 0.00 H new ATOM 284 N SER A 20 -14.077 -4.493 -0.695 1.00 0.00 N ATOM 285 CA SER A 20 -14.129 -3.025 -0.700 1.00 0.00 C ATOM 286 C SER A 20 -12.901 -2.397 -0.024 1.00 0.00 C ATOM 287 O SER A 20 -12.270 -1.504 -0.585 1.00 0.00 O ATOM 288 CB SER A 20 -15.422 -2.524 -0.046 1.00 0.00 C ATOM 289 OG SER A 20 -16.565 -3.067 -0.690 1.00 0.00 O ATOM 0 H SER A 20 -13.823 -4.896 -1.597 1.00 0.00 H new ATOM 0 HA SER A 20 -14.119 -2.709 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.430 -2.799 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.458 -1.436 -0.092 1.00 0.00 H new ATOM 0 HG SER A 20 -17.376 -2.733 -0.253 1.00 0.00 H new ATOM 295 N VAL A 21 -12.575 -2.845 1.181 1.00 0.00 N ATOM 296 CA VAL A 21 -11.391 -2.369 1.871 1.00 0.00 C ATOM 297 C VAL A 21 -10.130 -3.024 1.320 1.00 0.00 C ATOM 298 O VAL A 21 -10.086 -4.228 1.064 1.00 0.00 O ATOM 299 CB VAL A 21 -11.518 -2.537 3.397 1.00 0.00 C ATOM 300 CG1 VAL A 21 -12.575 -3.531 3.723 1.00 0.00 C ATOM 301 CG2 VAL A 21 -10.203 -2.873 4.071 1.00 0.00 C ATOM 0 H VAL A 21 -13.116 -3.538 1.698 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.303 -1.299 1.682 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.815 -1.569 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.652 -3.638 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.530 -3.191 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.318 -4.493 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.361 -2.978 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.816 -3.809 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.485 -2.074 3.886 1.00 0.00 H new ATOM 311 N LEU A 22 -9.117 -2.204 1.117 1.00 0.00 N ATOM 312 CA LEU A 22 -7.891 -2.626 0.474 1.00 0.00 C ATOM 313 C LEU A 22 -6.735 -2.575 1.481 1.00 0.00 C ATOM 314 O LEU A 22 -6.625 -1.624 2.258 1.00 0.00 O ATOM 315 CB LEU A 22 -7.611 -1.684 -0.707 1.00 0.00 C ATOM 316 CG LEU A 22 -6.988 -2.307 -1.966 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.958 -3.350 -1.614 1.00 0.00 C ATOM 318 CD2 LEU A 22 -8.052 -2.917 -2.858 1.00 0.00 C ATOM 0 H LEU A 22 -9.123 -1.223 1.395 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.988 -3.649 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.551 -1.211 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.949 -0.892 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.493 -1.502 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.538 -3.770 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.163 -2.892 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.428 -4.144 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.582 -3.350 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.583 -3.696 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.757 -2.144 -3.164 1.00 0.00 H new ATOM 330 N THR A 23 -5.893 -3.598 1.480 1.00 0.00 N ATOM 331 CA THR A 23 -4.687 -3.595 2.304 1.00 0.00 C ATOM 332 C THR A 23 -3.496 -3.173 1.471 1.00 0.00 C ATOM 333 O THR A 23 -3.081 -3.890 0.574 1.00 0.00 O ATOM 334 CB THR A 23 -4.367 -4.976 2.908 1.00 0.00 C ATOM 335 OG1 THR A 23 -5.475 -5.440 3.694 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.107 -4.900 3.770 1.00 0.00 C ATOM 0 H THR A 23 -6.020 -4.441 0.920 1.00 0.00 H new ATOM 0 HA THR A 23 -4.878 -2.896 3.119 1.00 0.00 H new ATOM 0 HB THR A 23 -4.192 -5.680 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.263 -6.319 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.894 -5.883 4.190 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.266 -4.577 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.262 -4.186 4.579 1.00 0.00 H new ATOM 344 N VAL A 24 -2.929 -2.039 1.790 1.00 0.00 N ATOM 345 CA VAL A 24 -1.851 -1.489 1.005 1.00 0.00 C ATOM 346 C VAL A 24 -0.588 -1.485 1.839 1.00 0.00 C ATOM 347 O VAL A 24 -0.423 -0.663 2.742 1.00 0.00 O ATOM 348 CB VAL A 24 -2.185 -0.063 0.526 1.00 0.00 C ATOM 349 CG1 VAL A 24 -2.404 -0.047 -0.978 1.00 0.00 C ATOM 350 CG2 VAL A 24 -3.414 0.449 1.235 1.00 0.00 C ATOM 0 H VAL A 24 -3.198 -1.473 2.595 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.705 -2.107 0.119 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.344 0.589 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.639 0.967 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.499 -0.387 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.231 -0.709 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.640 1.457 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.258 -0.207 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.233 0.467 2.310 1.00 0.00 H new ATOM 360 N LYS A 25 0.288 -2.425 1.550 1.00 0.00 N ATOM 361 CA LYS A 25 1.507 -2.569 2.309 1.00 0.00 C ATOM 362 C LYS A 25 2.716 -2.197 1.462 1.00 0.00 C ATOM 363 O LYS A 25 2.620 -2.146 0.241 1.00 0.00 O ATOM 364 CB LYS A 25 1.647 -3.991 2.852 1.00 0.00 C ATOM 365 CG LYS A 25 1.746 -5.083 1.799 1.00 0.00 C ATOM 366 CD LYS A 25 2.357 -6.334 2.409 1.00 0.00 C ATOM 367 CE LYS A 25 2.538 -7.458 1.402 1.00 0.00 C ATOM 368 NZ LYS A 25 3.222 -8.631 2.012 1.00 0.00 N ATOM 0 H LYS A 25 0.176 -3.100 0.794 1.00 0.00 H new ATOM 0 HA LYS A 25 1.459 -1.886 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.535 -4.036 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.791 -4.203 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.756 -5.308 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.356 -4.740 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.325 -6.084 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.722 -6.682 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.565 -7.763 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.119 -7.098 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.269 -9.405 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.185 -8.362 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.690 -8.947 2.848 1.00 0.00 H new ATOM 382 N VAL A 26 3.843 -1.931 2.110 1.00 0.00 N ATOM 383 CA VAL A 26 5.081 -1.600 1.407 1.00 0.00 C ATOM 384 C VAL A 26 6.221 -2.499 1.856 1.00 0.00 C ATOM 385 O VAL A 26 6.481 -2.610 3.051 1.00 0.00 O ATOM 386 CB VAL A 26 5.500 -0.126 1.617 1.00 0.00 C ATOM 387 CG1 VAL A 26 4.956 0.745 0.521 1.00 0.00 C ATOM 388 CG2 VAL A 26 5.043 0.414 2.959 1.00 0.00 C ATOM 0 H VAL A 26 3.928 -1.938 3.126 1.00 0.00 H new ATOM 0 HA VAL A 26 4.879 -1.757 0.347 1.00 0.00 H new ATOM 0 HB VAL A 26 6.590 -0.106 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.264 1.777 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.342 0.404 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.868 0.687 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.360 1.452 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.956 0.359 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.484 -0.180 3.759 1.00 0.00 H new ATOM 398 N GLU A 27 6.917 -3.135 0.917 1.00 0.00 N ATOM 399 CA GLU A 27 8.017 -4.003 1.293 1.00 0.00 C ATOM 400 C GLU A 27 9.323 -3.467 0.743 1.00 0.00 C ATOM 401 O GLU A 27 9.348 -2.777 -0.279 1.00 0.00 O ATOM 402 CB GLU A 27 7.782 -5.447 0.844 1.00 0.00 C ATOM 403 CG GLU A 27 6.489 -6.017 1.382 1.00 0.00 C ATOM 404 CD GLU A 27 6.367 -7.514 1.205 1.00 0.00 C ATOM 405 OE1 GLU A 27 6.665 -8.023 0.112 1.00 0.00 O ATOM 406 OE2 GLU A 27 5.963 -8.191 2.173 1.00 0.00 O ATOM 0 H GLU A 27 6.741 -3.066 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 27 8.076 -4.013 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.768 -5.488 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.615 -6.067 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.409 -5.777 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.651 -5.531 0.882 1.00 0.00 H new ATOM 413 N ASN A 28 10.403 -3.770 1.437 1.00 0.00 N ATOM 414 CA ASN A 28 11.714 -3.289 1.054 1.00 0.00 C ATOM 415 C ASN A 28 12.375 -4.314 0.138 1.00 0.00 C ATOM 416 O ASN A 28 11.770 -5.338 -0.183 1.00 0.00 O ATOM 417 CB ASN A 28 12.551 -3.046 2.306 1.00 0.00 C ATOM 418 CG ASN A 28 13.692 -2.054 2.119 1.00 0.00 C ATOM 419 OD1 ASN A 28 14.209 -1.872 1.020 1.00 0.00 O ATOM 420 ND2 ASN A 28 14.104 -1.416 3.204 1.00 0.00 N ATOM 0 H ASN A 28 10.396 -4.352 2.275 1.00 0.00 H new ATOM 0 HA ASN A 28 11.628 -2.346 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.898 -2.684 3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.964 -3.997 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.874 -0.749 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.652 -1.591 4.101 1.00 0.00 H new ATOM 427 N ASP A 29 13.617 -4.072 -0.246 1.00 0.00 N ATOM 428 CA ASP A 29 14.348 -4.995 -1.112 1.00 0.00 C ATOM 429 C ASP A 29 14.657 -6.254 -0.324 1.00 0.00 C ATOM 430 O ASP A 29 14.930 -7.321 -0.872 1.00 0.00 O ATOM 431 CB ASP A 29 15.640 -4.337 -1.613 1.00 0.00 C ATOM 432 CG ASP A 29 16.492 -5.261 -2.462 1.00 0.00 C ATOM 433 OD1 ASP A 29 16.263 -5.334 -3.690 1.00 0.00 O ATOM 434 OD2 ASP A 29 17.412 -5.900 -1.911 1.00 0.00 O ATOM 0 H ASP A 29 14.145 -3.243 0.027 1.00 0.00 H new ATOM 0 HA ASP A 29 13.743 -5.250 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.387 -3.451 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.224 -4.000 -0.757 1.00 0.00 H new ATOM 439 N GLU A 30 14.559 -6.104 0.986 1.00 0.00 N ATOM 440 CA GLU A 30 14.811 -7.176 1.920 1.00 0.00 C ATOM 441 C GLU A 30 13.626 -8.127 1.993 1.00 0.00 C ATOM 442 O GLU A 30 13.690 -9.171 2.637 1.00 0.00 O ATOM 443 CB GLU A 30 15.082 -6.579 3.281 1.00 0.00 C ATOM 444 CG GLU A 30 16.115 -7.352 4.081 1.00 0.00 C ATOM 445 CD GLU A 30 17.486 -7.331 3.430 1.00 0.00 C ATOM 446 OE1 GLU A 30 17.696 -8.067 2.445 1.00 0.00 O ATOM 447 OE2 GLU A 30 18.365 -6.580 3.906 1.00 0.00 O ATOM 0 H GLU A 30 14.299 -5.224 1.431 1.00 0.00 H new ATOM 0 HA GLU A 30 15.675 -7.748 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.423 -5.551 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.150 -6.540 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.185 -6.929 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.785 -8.385 4.193 1.00 0.00 H new ATOM 454 N GLY A 31 12.540 -7.751 1.339 1.00 0.00 N ATOM 455 CA GLY A 31 11.351 -8.579 1.336 1.00 0.00 C ATOM 456 C GLY A 31 10.494 -8.337 2.557 1.00 0.00 C ATOM 457 O GLY A 31 9.414 -8.908 2.693 1.00 0.00 O ATOM 0 H GLY A 31 12.459 -6.884 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.769 -8.375 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.640 -9.629 1.297 1.00 0.00 H new ATOM 461 N TRP A 32 10.984 -7.495 3.457 1.00 0.00 N ATOM 462 CA TRP A 32 10.265 -7.155 4.652 1.00 0.00 C ATOM 463 C TRP A 32 9.241 -6.076 4.369 1.00 0.00 C ATOM 464 O TRP A 32 9.548 -5.096 3.692 1.00 0.00 O ATOM 465 CB TRP A 32 11.248 -6.635 5.674 1.00 0.00 C ATOM 466 CG TRP A 32 12.292 -7.595 6.121 1.00 0.00 C ATOM 467 CD1 TRP A 32 13.561 -7.274 6.462 1.00 0.00 C ATOM 468 CD2 TRP A 32 12.169 -9.005 6.283 1.00 0.00 C ATOM 469 NE1 TRP A 32 14.253 -8.407 6.823 1.00 0.00 N ATOM 470 CE2 TRP A 32 13.412 -9.486 6.723 1.00 0.00 C ATOM 471 CE3 TRP A 32 11.125 -9.896 6.102 1.00 0.00 C ATOM 472 CZ2 TRP A 32 13.635 -10.836 6.981 1.00 0.00 C ATOM 473 CZ3 TRP A 32 11.338 -11.237 6.352 1.00 0.00 C ATOM 474 CH2 TRP A 32 12.587 -11.697 6.791 1.00 0.00 C ATOM 0 H TRP A 32 11.890 -7.035 3.369 1.00 0.00 H new ATOM 0 HA TRP A 32 9.751 -8.042 5.023 1.00 0.00 H new ATOM 0 HB2 TRP A 32 11.743 -5.757 5.259 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.690 -6.302 6.549 1.00 0.00 H new ATOM 0 HD1 TRP A 32 13.971 -6.275 6.452 1.00 0.00 H new ATOM 0 HE1 TRP A 32 15.229 -8.439 7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.158 -9.547 5.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 14.598 -11.191 7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.532 -11.941 6.207 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.726 -12.751 6.983 1.00 0.00 H new ATOM 485 N THR A 33 8.031 -6.246 4.875 1.00 0.00 N ATOM 486 CA THR A 33 7.057 -5.183 4.798 1.00 0.00 C ATOM 487 C THR A 33 7.374 -4.160 5.856 1.00 0.00 C ATOM 488 O THR A 33 7.264 -4.418 7.053 1.00 0.00 O ATOM 489 CB THR A 33 5.610 -5.670 4.982 1.00 0.00 C ATOM 490 OG1 THR A 33 5.440 -6.974 4.408 1.00 0.00 O ATOM 491 CG2 THR A 33 4.635 -4.691 4.329 1.00 0.00 C ATOM 0 H THR A 33 7.708 -7.097 5.335 1.00 0.00 H new ATOM 0 HA THR A 33 7.121 -4.756 3.797 1.00 0.00 H new ATOM 0 HB THR A 33 5.402 -5.725 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.113 -7.114 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.614 -5.048 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.742 -3.709 4.790 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.853 -4.617 3.264 1.00 0.00 H new ATOM 499 N LEU A 34 7.787 -3.005 5.392 1.00 0.00 N ATOM 500 CA LEU A 34 8.233 -1.944 6.255 1.00 0.00 C ATOM 501 C LEU A 34 7.056 -1.358 7.015 1.00 0.00 C ATOM 502 O LEU A 34 7.099 -1.208 8.235 1.00 0.00 O ATOM 503 CB LEU A 34 8.942 -0.893 5.412 1.00 0.00 C ATOM 504 CG LEU A 34 10.224 -1.389 4.718 1.00 0.00 C ATOM 505 CD1 LEU A 34 11.115 -0.217 4.341 1.00 0.00 C ATOM 506 CD2 LEU A 34 10.967 -2.389 5.601 1.00 0.00 C ATOM 0 H LEU A 34 7.822 -2.776 4.399 1.00 0.00 H new ATOM 0 HA LEU A 34 8.935 -2.328 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.251 -0.528 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.193 -0.044 6.048 1.00 0.00 H new ATOM 0 HG LEU A 34 9.941 -1.904 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.016 -0.587 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.578 0.444 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.391 0.334 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.869 -2.726 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.240 -1.911 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.323 -3.245 5.802 1.00 0.00 H new ATOM 518 N VAL A 35 6.003 -1.046 6.290 1.00 0.00 N ATOM 519 CA VAL A 35 4.735 -0.694 6.913 1.00 0.00 C ATOM 520 C VAL A 35 3.580 -1.179 6.046 1.00 0.00 C ATOM 521 O VAL A 35 3.755 -1.469 4.862 1.00 0.00 O ATOM 522 CB VAL A 35 4.618 0.823 7.198 1.00 0.00 C ATOM 523 CG1 VAL A 35 4.644 1.632 5.916 1.00 0.00 C ATOM 524 CG2 VAL A 35 3.378 1.147 8.019 1.00 0.00 C ATOM 0 H VAL A 35 5.995 -1.027 5.270 1.00 0.00 H new ATOM 0 HA VAL A 35 4.691 -1.194 7.881 1.00 0.00 H new ATOM 0 HB VAL A 35 5.489 1.105 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.560 2.693 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.582 1.451 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.809 1.335 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.331 2.221 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.488 0.831 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.426 0.622 8.973 1.00 0.00 H new ATOM 534 N GLU A 36 2.419 -1.297 6.648 1.00 0.00 N ATOM 535 CA GLU A 36 1.246 -1.807 5.969 1.00 0.00 C ATOM 536 C GLU A 36 -0.008 -1.135 6.512 1.00 0.00 C ATOM 537 O GLU A 36 -0.153 -0.973 7.723 1.00 0.00 O ATOM 538 CB GLU A 36 1.189 -3.327 6.137 1.00 0.00 C ATOM 539 CG GLU A 36 -0.174 -3.940 5.901 1.00 0.00 C ATOM 540 CD GLU A 36 -0.172 -5.429 6.171 1.00 0.00 C ATOM 541 OE1 GLU A 36 0.533 -6.171 5.454 1.00 0.00 O ATOM 542 OE2 GLU A 36 -0.845 -5.859 7.129 1.00 0.00 O ATOM 0 H GLU A 36 2.259 -1.042 7.623 1.00 0.00 H new ATOM 0 HA GLU A 36 1.304 -1.580 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.901 -3.782 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.516 -3.580 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.908 -3.454 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.482 -3.757 4.872 1.00 0.00 H new ATOM 549 N GLU A 37 -0.896 -0.719 5.621 1.00 0.00 N ATOM 550 CA GLU A 37 -2.103 -0.026 6.029 1.00 0.00 C ATOM 551 C GLU A 37 -3.324 -0.679 5.410 1.00 0.00 C ATOM 552 O GLU A 37 -3.237 -1.290 4.345 1.00 0.00 O ATOM 553 CB GLU A 37 -2.052 1.439 5.611 1.00 0.00 C ATOM 554 CG GLU A 37 -3.079 2.287 6.335 1.00 0.00 C ATOM 555 CD GLU A 37 -3.046 2.087 7.834 1.00 0.00 C ATOM 556 OE1 GLU A 37 -3.739 1.178 8.330 1.00 0.00 O ATOM 557 OE2 GLU A 37 -2.321 2.833 8.522 1.00 0.00 O ATOM 0 H GLU A 37 -0.801 -0.850 4.614 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.171 -0.085 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.056 1.835 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.218 1.513 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.901 3.338 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.074 2.044 5.962 1.00 0.00 H new ATOM 564 N ASP A 38 -4.457 -0.561 6.077 1.00 0.00 N ATOM 565 CA ASP A 38 -5.712 -1.001 5.498 1.00 0.00 C ATOM 566 C ASP A 38 -6.634 0.186 5.310 1.00 0.00 C ATOM 567 O ASP A 38 -6.744 1.053 6.174 1.00 0.00 O ATOM 568 CB ASP A 38 -6.393 -2.093 6.331 1.00 0.00 C ATOM 569 CG ASP A 38 -6.755 -1.664 7.740 1.00 0.00 C ATOM 570 OD1 ASP A 38 -7.841 -1.081 7.931 1.00 0.00 O ATOM 571 OD2 ASP A 38 -5.966 -1.934 8.670 1.00 0.00 O ATOM 0 H ASP A 38 -4.534 -0.167 7.015 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.490 -1.445 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.299 -2.415 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.733 -2.958 6.385 1.00 0.00 H new ATOM 576 N PHE A 39 -7.266 0.228 4.161 1.00 0.00 N ATOM 577 CA PHE A 39 -8.146 1.321 3.803 1.00 0.00 C ATOM 578 C PHE A 39 -9.485 0.782 3.323 1.00 0.00 C ATOM 579 O PHE A 39 -9.553 0.122 2.290 1.00 0.00 O ATOM 580 CB PHE A 39 -7.532 2.164 2.688 1.00 0.00 C ATOM 581 CG PHE A 39 -6.328 2.982 3.074 1.00 0.00 C ATOM 582 CD1 PHE A 39 -6.501 4.228 3.634 1.00 0.00 C ATOM 583 CD2 PHE A 39 -5.037 2.536 2.827 1.00 0.00 C ATOM 584 CE1 PHE A 39 -5.419 5.025 3.950 1.00 0.00 C ATOM 585 CE2 PHE A 39 -3.942 3.320 3.145 1.00 0.00 C ATOM 586 CZ PHE A 39 -4.137 4.570 3.707 1.00 0.00 C ATOM 0 H PHE A 39 -7.186 -0.494 3.445 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.290 1.939 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.251 1.501 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.298 2.838 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.500 4.588 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.885 1.564 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.574 6.001 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.942 2.959 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.288 5.189 3.955 1.00 0.00 H new ATOM 596 N ASP A 40 -10.541 1.047 4.068 1.00 0.00 N ATOM 597 CA ASP A 40 -11.884 0.695 3.629 1.00 0.00 C ATOM 598 C ASP A 40 -12.520 1.911 2.971 1.00 0.00 C ATOM 599 O ASP A 40 -12.352 3.041 3.434 1.00 0.00 O ATOM 600 CB ASP A 40 -12.720 0.182 4.803 1.00 0.00 C ATOM 601 CG ASP A 40 -13.183 1.268 5.748 1.00 0.00 C ATOM 602 OD1 ASP A 40 -12.346 1.840 6.465 1.00 0.00 O ATOM 603 OD2 ASP A 40 -14.399 1.551 5.774 1.00 0.00 O ATOM 0 H ASP A 40 -10.499 1.504 4.979 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.836 -0.113 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.592 -0.342 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.134 -0.547 5.362 1.00 0.00 H new ATOM 608 N ARG A 41 -13.236 1.684 1.875 1.00 0.00 N ATOM 609 CA ARG A 41 -13.695 2.784 1.027 1.00 0.00 C ATOM 610 C ARG A 41 -14.805 3.598 1.690 1.00 0.00 C ATOM 611 O ARG A 41 -15.206 4.645 1.177 1.00 0.00 O ATOM 612 CB ARG A 41 -14.166 2.259 -0.331 1.00 0.00 C ATOM 613 CG ARG A 41 -15.400 1.378 -0.255 1.00 0.00 C ATOM 614 CD ARG A 41 -15.863 0.949 -1.636 1.00 0.00 C ATOM 615 NE ARG A 41 -17.093 0.164 -1.585 1.00 0.00 N ATOM 616 CZ ARG A 41 -18.045 0.202 -2.518 1.00 0.00 C ATOM 617 NH1 ARG A 41 -17.952 1.052 -3.537 1.00 0.00 N ATOM 618 NH2 ARG A 41 -19.101 -0.597 -2.418 1.00 0.00 N ATOM 0 H ARG A 41 -13.511 0.756 1.553 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.844 3.448 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.376 3.106 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.356 1.694 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.182 0.496 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.203 1.917 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.023 1.832 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.079 0.362 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.233 -0.453 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.150 1.678 -3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.683 1.077 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.183 -1.238 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.830 -0.570 -3.130 1.00 0.00 H new ATOM 632 N ALA A 42 -15.281 3.132 2.835 1.00 0.00 N ATOM 633 CA ALA A 42 -16.328 3.833 3.566 1.00 0.00 C ATOM 634 C ALA A 42 -15.766 5.060 4.277 1.00 0.00 C ATOM 635 O ALA A 42 -16.519 5.897 4.775 1.00 0.00 O ATOM 636 CB ALA A 42 -16.993 2.899 4.563 1.00 0.00 C ATOM 0 H ALA A 42 -14.959 2.272 3.279 1.00 0.00 H new ATOM 0 HA ALA A 42 -17.078 4.170 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.773 3.437 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.434 2.055 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.249 2.534 5.271 1.00 0.00 H new ATOM 642 N ASP A 43 -14.440 5.172 4.303 1.00 0.00 N ATOM 643 CA ASP A 43 -13.773 6.296 4.948 1.00 0.00 C ATOM 644 C ASP A 43 -13.790 7.498 4.019 1.00 0.00 C ATOM 645 O ASP A 43 -13.703 8.647 4.452 1.00 0.00 O ATOM 646 CB ASP A 43 -12.316 5.937 5.276 1.00 0.00 C ATOM 647 CG ASP A 43 -11.687 6.878 6.286 1.00 0.00 C ATOM 648 OD1 ASP A 43 -12.245 7.040 7.388 1.00 0.00 O ATOM 649 OD2 ASP A 43 -10.622 7.456 5.986 1.00 0.00 O ATOM 0 H ASP A 43 -13.805 4.494 3.882 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.301 6.531 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.277 4.919 5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.728 5.952 4.358 1.00 0.00 H new ATOM 654 N TYR A 44 -13.904 7.209 2.732 1.00 0.00 N ATOM 655 CA TYR A 44 -13.771 8.188 1.706 1.00 0.00 C ATOM 656 C TYR A 44 -15.117 8.505 1.091 1.00 0.00 C ATOM 657 O TYR A 44 -16.109 7.824 1.352 1.00 0.00 O ATOM 658 CB TYR A 44 -12.827 7.636 0.661 1.00 0.00 C ATOM 659 CG TYR A 44 -11.460 7.367 1.227 1.00 0.00 C ATOM 660 CD1 TYR A 44 -11.277 6.320 2.110 1.00 0.00 C ATOM 661 CD2 TYR A 44 -10.371 8.170 0.928 1.00 0.00 C ATOM 662 CE1 TYR A 44 -10.064 6.078 2.688 1.00 0.00 C ATOM 663 CE2 TYR A 44 -9.154 7.928 1.492 1.00 0.00 C ATOM 664 CZ TYR A 44 -8.999 6.885 2.373 1.00 0.00 C ATOM 665 OH TYR A 44 -7.779 6.666 2.949 1.00 0.00 O ATOM 0 H TYR A 44 -14.094 6.270 2.383 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.376 9.116 2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.238 6.714 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.746 8.343 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.113 5.679 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.488 8.996 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.944 5.262 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.311 8.557 1.246 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.420 5.808 2.639 1.00 0.00 H new ATOM 675 N GLY A 45 -15.143 9.539 0.278 1.00 0.00 N ATOM 676 CA GLY A 45 -16.366 9.939 -0.373 1.00 0.00 C ATOM 677 C GLY A 45 -16.375 9.562 -1.831 1.00 0.00 C ATOM 678 O GLY A 45 -17.410 9.623 -2.495 1.00 0.00 O ATOM 0 H GLY A 45 -14.332 10.115 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.214 9.472 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.493 11.017 -0.276 1.00 0.00 H new ATOM 682 N SER A 46 -15.216 9.171 -2.334 1.00 0.00 N ATOM 683 CA SER A 46 -15.090 8.756 -3.713 1.00 0.00 C ATOM 684 C SER A 46 -13.996 7.707 -3.883 1.00 0.00 C ATOM 685 O SER A 46 -13.096 7.589 -3.045 1.00 0.00 O ATOM 686 CB SER A 46 -14.796 9.974 -4.585 1.00 0.00 C ATOM 687 OG SER A 46 -14.011 10.932 -3.889 1.00 0.00 O ATOM 0 H SER A 46 -14.347 9.134 -1.801 1.00 0.00 H new ATOM 0 HA SER A 46 -16.031 8.302 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.273 9.659 -5.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.733 10.431 -4.903 1.00 0.00 H new ATOM 0 HG SER A 46 -13.838 11.699 -4.473 1.00 0.00 H new ATOM 693 N ASP A 47 -14.090 6.944 -4.963 1.00 0.00 N ATOM 694 CA ASP A 47 -13.064 5.968 -5.310 1.00 0.00 C ATOM 695 C ASP A 47 -11.730 6.650 -5.633 1.00 0.00 C ATOM 696 O ASP A 47 -10.691 6.217 -5.142 1.00 0.00 O ATOM 697 CB ASP A 47 -13.514 5.098 -6.489 1.00 0.00 C ATOM 698 CG ASP A 47 -12.412 4.186 -6.985 1.00 0.00 C ATOM 699 OD1 ASP A 47 -12.120 3.178 -6.307 1.00 0.00 O ATOM 700 OD2 ASP A 47 -11.847 4.465 -8.064 1.00 0.00 O ATOM 0 H ASP A 47 -14.871 6.982 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.915 5.327 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.372 4.497 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.846 5.740 -7.305 1.00 0.00 H new ATOM 705 N PRO A 48 -11.725 7.724 -6.457 1.00 0.00 N ATOM 706 CA PRO A 48 -10.497 8.461 -6.784 1.00 0.00 C ATOM 707 C PRO A 48 -9.772 8.941 -5.541 1.00 0.00 C ATOM 708 O PRO A 48 -8.552 8.843 -5.443 1.00 0.00 O ATOM 709 CB PRO A 48 -10.997 9.670 -7.576 1.00 0.00 C ATOM 710 CG PRO A 48 -12.461 9.726 -7.327 1.00 0.00 C ATOM 711 CD PRO A 48 -12.884 8.305 -7.151 1.00 0.00 C ATOM 0 HA PRO A 48 -9.788 7.835 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.507 10.586 -7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.783 9.559 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.687 10.317 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.985 10.192 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.797 8.221 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.075 7.815 -8.106 1.00 0.00 H new ATOM 719 N GLU A 49 -10.547 9.466 -4.605 1.00 0.00 N ATOM 720 CA GLU A 49 -10.027 9.854 -3.296 1.00 0.00 C ATOM 721 C GLU A 49 -9.261 8.707 -2.711 1.00 0.00 C ATOM 722 O GLU A 49 -8.106 8.834 -2.313 1.00 0.00 O ATOM 723 CB GLU A 49 -11.152 10.146 -2.324 1.00 0.00 C ATOM 724 CG GLU A 49 -10.696 10.960 -1.140 1.00 0.00 C ATOM 725 CD GLU A 49 -11.745 11.039 -0.054 1.00 0.00 C ATOM 726 OE1 GLU A 49 -12.940 10.857 -0.365 1.00 0.00 O ATOM 727 OE2 GLU A 49 -11.380 11.268 1.116 1.00 0.00 O ATOM 0 H GLU A 49 -11.546 9.635 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.407 10.739 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.947 10.681 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.577 9.206 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.786 10.522 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.444 11.967 -1.471 1.00 0.00 H new ATOM 734 N PHE A 50 -9.942 7.586 -2.683 1.00 0.00 N ATOM 735 CA PHE A 50 -9.441 6.392 -2.077 1.00 0.00 C ATOM 736 C PHE A 50 -8.133 5.976 -2.720 1.00 0.00 C ATOM 737 O PHE A 50 -7.110 5.897 -2.059 1.00 0.00 O ATOM 738 CB PHE A 50 -10.476 5.291 -2.252 1.00 0.00 C ATOM 739 CG PHE A 50 -10.103 3.974 -1.648 1.00 0.00 C ATOM 740 CD1 PHE A 50 -10.245 3.750 -0.292 1.00 0.00 C ATOM 741 CD2 PHE A 50 -9.620 2.955 -2.449 1.00 0.00 C ATOM 742 CE1 PHE A 50 -9.909 2.528 0.256 1.00 0.00 C ATOM 743 CE2 PHE A 50 -9.286 1.734 -1.910 1.00 0.00 C ATOM 744 CZ PHE A 50 -9.428 1.519 -0.555 1.00 0.00 C ATOM 0 H PHE A 50 -10.872 7.484 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.256 6.571 -1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.416 5.623 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.656 5.148 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.622 4.537 0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.504 3.120 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.022 2.362 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.913 0.945 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.163 0.563 -0.129 1.00 0.00 H new ATOM 754 N VAL A 51 -8.167 5.782 -4.027 1.00 0.00 N ATOM 755 CA VAL A 51 -6.993 5.304 -4.757 1.00 0.00 C ATOM 756 C VAL A 51 -5.829 6.286 -4.626 1.00 0.00 C ATOM 757 O VAL A 51 -4.669 5.878 -4.514 1.00 0.00 O ATOM 758 CB VAL A 51 -7.293 5.038 -6.258 1.00 0.00 C ATOM 759 CG1 VAL A 51 -8.588 4.271 -6.418 1.00 0.00 C ATOM 760 CG2 VAL A 51 -7.350 6.320 -7.072 1.00 0.00 C ATOM 0 H VAL A 51 -8.989 5.946 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.714 4.353 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.467 4.439 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.779 4.096 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.511 3.315 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.408 4.849 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.562 6.080 -8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.137 6.965 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.392 6.836 -7.006 1.00 0.00 H new ATOM 770 N ALA A 52 -6.147 7.579 -4.618 1.00 0.00 N ATOM 771 CA ALA A 52 -5.140 8.612 -4.457 1.00 0.00 C ATOM 772 C ALA A 52 -4.547 8.556 -3.061 1.00 0.00 C ATOM 773 O ALA A 52 -3.344 8.394 -2.895 1.00 0.00 O ATOM 774 CB ALA A 52 -5.750 9.978 -4.721 1.00 0.00 C ATOM 0 H ALA A 52 -7.099 7.931 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.340 8.441 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.987 10.747 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.139 10.012 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.562 10.156 -4.016 1.00 0.00 H new ATOM 780 N GLU A 53 -5.420 8.631 -2.068 1.00 0.00 N ATOM 781 CA GLU A 53 -5.028 8.635 -0.667 1.00 0.00 C ATOM 782 C GLU A 53 -4.300 7.340 -0.294 1.00 0.00 C ATOM 783 O GLU A 53 -3.315 7.349 0.437 1.00 0.00 O ATOM 784 CB GLU A 53 -6.291 8.801 0.169 1.00 0.00 C ATOM 785 CG GLU A 53 -6.054 8.923 1.663 1.00 0.00 C ATOM 786 CD GLU A 53 -4.913 9.855 2.010 1.00 0.00 C ATOM 787 OE1 GLU A 53 -5.041 11.071 1.753 1.00 0.00 O ATOM 788 OE2 GLU A 53 -3.890 9.386 2.542 1.00 0.00 O ATOM 0 H GLU A 53 -6.428 8.691 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.336 9.456 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.823 9.689 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.945 7.948 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.966 9.281 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.846 7.935 2.073 1.00 0.00 H new ATOM 795 N VAL A 54 -4.773 6.243 -0.851 1.00 0.00 N ATOM 796 CA VAL A 54 -4.286 4.909 -0.513 1.00 0.00 C ATOM 797 C VAL A 54 -2.858 4.692 -0.994 1.00 0.00 C ATOM 798 O VAL A 54 -1.965 4.384 -0.200 1.00 0.00 O ATOM 799 CB VAL A 54 -5.228 3.837 -1.121 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.553 2.496 -1.288 1.00 0.00 C ATOM 801 CG2 VAL A 54 -6.472 3.686 -0.267 1.00 0.00 C ATOM 0 H VAL A 54 -5.510 6.246 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.283 4.816 0.573 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.503 4.186 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.258 1.785 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.694 2.601 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.218 2.134 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.125 2.931 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.187 3.380 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.000 4.639 -0.221 1.00 0.00 H new ATOM 811 N SER A 55 -2.633 4.873 -2.283 1.00 0.00 N ATOM 812 CA SER A 55 -1.318 4.641 -2.842 1.00 0.00 C ATOM 813 C SER A 55 -0.352 5.739 -2.408 1.00 0.00 C ATOM 814 O SER A 55 0.854 5.517 -2.319 1.00 0.00 O ATOM 815 CB SER A 55 -1.394 4.540 -4.365 1.00 0.00 C ATOM 816 OG SER A 55 -1.966 5.709 -4.932 1.00 0.00 O ATOM 0 H SER A 55 -3.338 5.177 -2.955 1.00 0.00 H new ATOM 0 HA SER A 55 -0.939 3.692 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.394 4.388 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.988 3.670 -4.645 1.00 0.00 H new ATOM 0 HG SER A 55 -2.943 5.659 -4.869 1.00 0.00 H new ATOM 822 N SER A 56 -0.894 6.915 -2.120 1.00 0.00 N ATOM 823 CA SER A 56 -0.089 8.033 -1.670 1.00 0.00 C ATOM 824 C SER A 56 0.334 7.830 -0.219 1.00 0.00 C ATOM 825 O SER A 56 1.380 8.321 0.205 1.00 0.00 O ATOM 826 CB SER A 56 -0.871 9.341 -1.824 1.00 0.00 C ATOM 827 OG SER A 56 -0.056 10.476 -1.580 1.00 0.00 O ATOM 0 H SER A 56 -1.892 7.115 -2.192 1.00 0.00 H new ATOM 0 HA SER A 56 0.809 8.091 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.284 9.401 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.714 9.344 -1.133 1.00 0.00 H new ATOM 0 HG SER A 56 -0.589 11.291 -1.689 1.00 0.00 H new ATOM 833 N TYR A 57 -0.466 7.083 0.534 1.00 0.00 N ATOM 834 CA TYR A 57 -0.174 6.852 1.933 1.00 0.00 C ATOM 835 C TYR A 57 0.972 5.884 2.063 1.00 0.00 C ATOM 836 O TYR A 57 1.958 6.166 2.739 1.00 0.00 O ATOM 837 CB TYR A 57 -1.378 6.291 2.667 1.00 0.00 C ATOM 838 CG TYR A 57 -1.177 6.288 4.161 1.00 0.00 C ATOM 839 CD1 TYR A 57 -1.128 7.477 4.866 1.00 0.00 C ATOM 840 CD2 TYR A 57 -1.013 5.100 4.857 1.00 0.00 C ATOM 841 CE1 TYR A 57 -0.918 7.486 6.229 1.00 0.00 C ATOM 842 CE2 TYR A 57 -0.808 5.098 6.220 1.00 0.00 C ATOM 843 CZ TYR A 57 -0.761 6.293 6.902 1.00 0.00 C ATOM 844 OH TYR A 57 -0.548 6.298 8.263 1.00 0.00 O ATOM 0 H TYR A 57 -1.316 6.632 0.196 1.00 0.00 H new ATOM 0 HA TYR A 57 0.089 7.811 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.260 6.882 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.570 5.274 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.256 8.412 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.046 4.162 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.877 8.422 6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.685 4.165 6.750 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.459 5.376 8.584 1.00 0.00 H new ATOM 854 N LEU A 58 0.846 4.741 1.397 1.00 0.00 N ATOM 855 CA LEU A 58 1.921 3.768 1.372 1.00 0.00 C ATOM 856 C LEU A 58 3.182 4.426 0.812 1.00 0.00 C ATOM 857 O LEU A 58 4.278 4.153 1.279 1.00 0.00 O ATOM 858 CB LEU A 58 1.500 2.514 0.581 1.00 0.00 C ATOM 859 CG LEU A 58 1.415 2.639 -0.947 1.00 0.00 C ATOM 860 CD1 LEU A 58 2.787 2.542 -1.581 1.00 0.00 C ATOM 861 CD2 LEU A 58 0.514 1.570 -1.508 1.00 0.00 C ATOM 0 H LEU A 58 0.014 4.471 0.872 1.00 0.00 H new ATOM 0 HA LEU A 58 2.143 3.430 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.204 1.716 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.524 2.196 0.948 1.00 0.00 H new ATOM 0 HG LEU A 58 0.999 3.619 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.695 2.634 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.421 3.343 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.234 1.579 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.462 1.670 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.912 0.588 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.485 1.678 -1.086 1.00 0.00 H new ATOM 873 N LYS A 59 3.008 5.335 -0.154 1.00 0.00 N ATOM 874 CA LYS A 59 4.112 6.088 -0.732 1.00 0.00 C ATOM 875 C LYS A 59 4.837 6.880 0.350 1.00 0.00 C ATOM 876 O LYS A 59 6.058 6.811 0.488 1.00 0.00 O ATOM 877 CB LYS A 59 3.556 7.045 -1.781 1.00 0.00 C ATOM 878 CG LYS A 59 4.602 7.696 -2.652 1.00 0.00 C ATOM 879 CD LYS A 59 3.968 8.738 -3.558 1.00 0.00 C ATOM 880 CE LYS A 59 4.992 9.447 -4.425 1.00 0.00 C ATOM 881 NZ LYS A 59 4.379 10.553 -5.208 1.00 0.00 N ATOM 0 H LYS A 59 2.097 5.564 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 59 4.821 5.398 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.859 6.501 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.985 7.825 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.364 8.163 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.104 6.939 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.225 8.258 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.440 9.472 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.789 9.845 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.451 8.730 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.109 11.014 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.636 10.170 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.963 11.250 -4.558 1.00 0.00 H new ATOM 895 N ARG A 60 4.055 7.610 1.128 1.00 0.00 N ATOM 896 CA ARG A 60 4.560 8.439 2.201 1.00 0.00 C ATOM 897 C ARG A 60 5.001 7.594 3.403 1.00 0.00 C ATOM 898 O ARG A 60 5.662 8.088 4.314 1.00 0.00 O ATOM 899 CB ARG A 60 3.475 9.447 2.568 1.00 0.00 C ATOM 900 CG ARG A 60 3.254 9.645 4.046 1.00 0.00 C ATOM 901 CD ARG A 60 2.535 10.948 4.302 1.00 0.00 C ATOM 902 NE ARG A 60 2.355 11.217 5.728 1.00 0.00 N ATOM 903 CZ ARG A 60 1.423 12.027 6.227 1.00 0.00 C ATOM 904 NH1 ARG A 60 0.540 12.610 5.426 1.00 0.00 N ATOM 905 NH2 ARG A 60 1.368 12.248 7.532 1.00 0.00 N ATOM 0 H ARG A 60 3.040 7.641 1.028 1.00 0.00 H new ATOM 0 HA ARG A 60 5.452 8.974 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.730 10.409 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.536 9.126 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.671 8.816 4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.212 9.643 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.098 11.765 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.561 10.924 3.814 1.00 0.00 H new ATOM 0 HE ARG A 60 2.985 10.754 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.572 12.439 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.171 13.229 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.039 11.798 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.654 12.868 7.915 1.00 0.00 H new ATOM 919 N ASN A 61 4.665 6.312 3.393 1.00 0.00 N ATOM 920 CA ASN A 61 4.939 5.455 4.534 1.00 0.00 C ATOM 921 C ASN A 61 6.124 4.523 4.288 1.00 0.00 C ATOM 922 O ASN A 61 6.666 3.951 5.232 1.00 0.00 O ATOM 923 CB ASN A 61 3.700 4.631 4.865 1.00 0.00 C ATOM 924 CG ASN A 61 3.392 4.601 6.348 1.00 0.00 C ATOM 925 OD1 ASN A 61 4.417 4.653 7.183 1.00 0.00 O flip ATOM 926 ND2 ASN A 61 2.233 4.527 6.745 1.00 0.00 N flip ATOM 0 H ASN A 61 4.205 5.846 2.611 1.00 0.00 H new ATOM 0 HA ASN A 61 5.199 6.100 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.844 5.040 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.842 3.611 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.466 4.489 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.037 4.504 7.746 1.00 0.00 H new ATOM 933 N GLY A 62 6.552 4.390 3.037 1.00 0.00 N ATOM 934 CA GLY A 62 7.594 3.422 2.730 1.00 0.00 C ATOM 935 C GLY A 62 7.618 2.992 1.278 1.00 0.00 C ATOM 936 O GLY A 62 8.529 2.284 0.845 1.00 0.00 O ATOM 0 H GLY A 62 6.204 4.924 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.563 3.850 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.456 2.542 3.358 1.00 0.00 H new ATOM 940 N GLY A 63 6.621 3.415 0.528 1.00 0.00 N ATOM 941 CA GLY A 63 6.521 3.043 -0.860 1.00 0.00 C ATOM 942 C GLY A 63 7.305 3.945 -1.759 1.00 0.00 C ATOM 943 O GLY A 63 6.929 5.092 -1.991 1.00 0.00 O ATOM 0 H GLY A 63 5.869 4.018 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.873 2.019 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.474 3.058 -1.161 1.00 0.00 H new ATOM 947 N ILE A 64 8.394 3.420 -2.271 1.00 0.00 N ATOM 948 CA ILE A 64 9.182 4.140 -3.242 1.00 0.00 C ATOM 949 C ILE A 64 8.652 3.803 -4.613 1.00 0.00 C ATOM 950 O ILE A 64 8.464 2.632 -4.921 1.00 0.00 O ATOM 951 CB ILE A 64 10.672 3.752 -3.172 1.00 0.00 C ATOM 952 CG1 ILE A 64 11.176 3.865 -1.734 1.00 0.00 C ATOM 953 CG2 ILE A 64 11.497 4.630 -4.100 1.00 0.00 C ATOM 954 CD1 ILE A 64 11.026 5.249 -1.136 1.00 0.00 C ATOM 0 H ILE A 64 8.754 2.496 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 64 9.106 5.207 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 64 10.780 2.718 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.635 3.151 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.228 3.580 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.546 4.341 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.147 4.505 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.390 5.674 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 64 11.406 5.247 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.591 5.966 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.973 5.531 -1.131 1.00 0.00 H new ATOM 966 N LYS A 65 8.364 4.815 -5.416 1.00 0.00 N ATOM 967 CA LYS A 65 7.939 4.593 -6.783 1.00 0.00 C ATOM 968 C LYS A 65 8.978 3.786 -7.553 1.00 0.00 C ATOM 969 O LYS A 65 10.092 3.599 -7.063 1.00 0.00 O ATOM 970 CB LYS A 65 7.678 5.908 -7.464 1.00 0.00 C ATOM 971 CG LYS A 65 6.461 6.606 -6.906 1.00 0.00 C ATOM 972 CD LYS A 65 5.174 6.084 -7.526 1.00 0.00 C ATOM 973 CE LYS A 65 3.962 6.846 -7.010 1.00 0.00 C ATOM 974 NZ LYS A 65 2.689 6.332 -7.582 1.00 0.00 N ATOM 0 H LYS A 65 8.418 5.796 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 65 7.013 4.017 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.549 6.553 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.542 5.741 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.426 6.467 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.542 7.678 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.228 6.174 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.063 5.024 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.925 6.773 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.068 7.903 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.154 7.119 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.898 5.625 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.123 5.892 -6.829 1.00 0.00 H new ATOM 988 N ASP A 66 8.605 3.296 -8.735 1.00 0.00 N ATOM 989 CA ASP A 66 9.496 2.470 -9.553 1.00 0.00 C ATOM 990 C ASP A 66 10.903 3.056 -9.602 1.00 0.00 C ATOM 991 O ASP A 66 11.163 4.038 -10.303 1.00 0.00 O ATOM 992 CB ASP A 66 8.951 2.312 -10.970 1.00 0.00 C ATOM 993 CG ASP A 66 9.829 1.416 -11.819 1.00 0.00 C ATOM 994 OD1 ASP A 66 9.650 0.179 -11.773 1.00 0.00 O ATOM 995 OD2 ASP A 66 10.709 1.936 -12.532 1.00 0.00 O ATOM 0 H ASP A 66 7.687 3.457 -9.150 1.00 0.00 H new ATOM 0 HA ASP A 66 9.546 1.487 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.944 1.897 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.872 3.293 -11.440 1.00 0.00 H new ATOM 1000 N LEU A 67 11.794 2.437 -8.834 1.00 0.00 N ATOM 1001 CA LEU A 67 13.146 2.936 -8.618 1.00 0.00 C ATOM 1002 C LEU A 67 13.808 2.103 -7.529 1.00 0.00 C ATOM 1003 O LEU A 67 15.019 1.902 -7.551 1.00 0.00 O ATOM 1004 CB LEU A 67 13.126 4.415 -8.196 1.00 0.00 C ATOM 1005 CG LEU A 67 14.498 5.072 -8.029 1.00 0.00 C ATOM 1006 CD1 LEU A 67 15.283 5.023 -9.331 1.00 0.00 C ATOM 1007 CD2 LEU A 67 14.337 6.510 -7.558 1.00 0.00 C ATOM 0 H LEU A 67 11.595 1.567 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 67 13.706 2.856 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.561 4.979 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.586 4.498 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 67 15.057 4.517 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.255 5.496 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.425 3.985 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.732 5.553 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.320 6.967 -7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.760 7.071 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.816 6.523 -6.601 1.00 0.00 H new ATOM 1019 N THR A 68 12.991 1.627 -6.583 1.00 0.00 N ATOM 1020 CA THR A 68 13.435 0.731 -5.507 1.00 0.00 C ATOM 1021 C THR A 68 14.604 1.322 -4.723 1.00 0.00 C ATOM 1022 O THR A 68 15.771 1.103 -5.055 1.00 0.00 O ATOM 1023 CB THR A 68 13.811 -0.686 -6.024 1.00 0.00 C ATOM 1024 OG1 THR A 68 14.868 -0.628 -6.992 1.00 0.00 O ATOM 1025 CG2 THR A 68 12.606 -1.374 -6.644 1.00 0.00 C ATOM 0 H THR A 68 11.997 1.853 -6.541 1.00 0.00 H new ATOM 0 HA THR A 68 12.580 0.627 -4.839 1.00 0.00 H new ATOM 0 HB THR A 68 14.153 -1.259 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.253 0.273 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.894 -2.364 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.818 -1.471 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 68 12.240 -0.781 -7.482 1.00 0.00 H new ATOM 1033 N LYS A 69 14.289 2.068 -3.677 1.00 0.00 N ATOM 1034 CA LYS A 69 15.316 2.680 -2.856 1.00 0.00 C ATOM 1035 C LYS A 69 15.301 2.113 -1.450 1.00 0.00 C ATOM 1036 O LYS A 69 14.310 2.243 -0.730 1.00 0.00 O ATOM 1037 CB LYS A 69 15.153 4.191 -2.803 1.00 0.00 C ATOM 1038 CG LYS A 69 15.429 4.887 -4.125 1.00 0.00 C ATOM 1039 CD LYS A 69 15.462 6.402 -3.973 1.00 0.00 C ATOM 1040 CE LYS A 69 16.637 6.864 -3.119 1.00 0.00 C ATOM 1041 NZ LYS A 69 17.950 6.481 -3.710 1.00 0.00 N ATOM 0 H LYS A 69 13.333 2.263 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 69 16.277 2.450 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.137 4.426 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.825 4.593 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.382 4.541 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.661 4.611 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.526 6.864 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.530 6.742 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.595 7.947 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.550 6.433 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.711 7.008 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.104 5.461 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.953 6.706 -4.725 1.00 0.00 H new ATOM 1055 N VAL A 70 16.389 1.464 -1.074 1.00 0.00 N ATOM 1056 CA VAL A 70 16.563 1.010 0.295 1.00 0.00 C ATOM 1057 C VAL A 70 16.982 2.195 1.159 1.00 0.00 C ATOM 1058 O VAL A 70 18.172 2.475 1.325 1.00 0.00 O ATOM 1059 CB VAL A 70 17.617 -0.115 0.395 1.00 0.00 C ATOM 1060 CG1 VAL A 70 17.732 -0.625 1.823 1.00 0.00 C ATOM 1061 CG2 VAL A 70 17.274 -1.255 -0.554 1.00 0.00 C ATOM 0 H VAL A 70 17.165 1.240 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 70 15.616 0.601 0.647 1.00 0.00 H new ATOM 0 HB VAL A 70 18.583 0.298 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.480 -1.416 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.030 0.193 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.769 -1.018 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.028 -2.038 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.297 -1.662 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.252 -0.882 -1.578 1.00 0.00 H new ATOM 1071 N LEU A 71 15.996 2.916 1.663 1.00 0.00 N ATOM 1072 CA LEU A 71 16.249 4.126 2.425 1.00 0.00 C ATOM 1073 C LEU A 71 15.656 4.020 3.824 1.00 0.00 C ATOM 1074 O LEU A 71 16.387 4.016 4.814 1.00 0.00 O ATOM 1075 CB LEU A 71 15.656 5.333 1.694 1.00 0.00 C ATOM 1076 CG LEU A 71 15.912 6.688 2.353 1.00 0.00 C ATOM 1077 CD1 LEU A 71 17.392 7.032 2.311 1.00 0.00 C ATOM 1078 CD2 LEU A 71 15.090 7.771 1.674 1.00 0.00 C ATOM 0 H LEU A 71 15.009 2.683 1.558 1.00 0.00 H new ATOM 0 HA LEU A 71 17.327 4.256 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.060 5.358 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.579 5.189 1.604 1.00 0.00 H new ATOM 0 HG LEU A 71 15.606 6.628 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 71 17.554 8.000 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.958 6.268 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.726 7.075 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.283 8.730 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.366 7.831 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.030 7.530 1.758 1.00 0.00 H new ATOM 1090 N THR A 72 14.332 3.912 3.887 1.00 0.00 N ATOM 1091 CA THR A 72 13.608 3.865 5.154 1.00 0.00 C ATOM 1092 C THR A 72 13.748 5.186 5.908 1.00 0.00 C ATOM 1093 O THR A 72 14.751 5.434 6.580 1.00 0.00 O ATOM 1094 CB THR A 72 14.092 2.703 6.045 1.00 0.00 C ATOM 1095 OG1 THR A 72 14.086 1.483 5.291 1.00 0.00 O ATOM 1096 CG2 THR A 72 13.203 2.543 7.272 1.00 0.00 C ATOM 0 H THR A 72 13.732 3.855 3.064 1.00 0.00 H new ATOM 0 HA THR A 72 12.557 3.698 4.917 1.00 0.00 H new ATOM 0 HB THR A 72 15.104 2.930 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.395 0.746 5.858 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.569 1.716 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.223 3.462 7.858 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.181 2.336 6.956 1.00 0.00 H new ATOM 1104 N ARG A 73 12.745 6.044 5.765 1.00 0.00 N ATOM 1105 CA ARG A 73 12.724 7.320 6.466 1.00 0.00 C ATOM 1106 C ARG A 73 12.688 7.091 7.971 1.00 0.00 C ATOM 1107 O ARG A 73 11.684 6.541 8.463 1.00 0.00 O ATOM 1108 CB ARG A 73 11.518 8.158 6.034 1.00 0.00 C ATOM 1109 CG ARG A 73 11.582 8.643 4.593 1.00 0.00 C ATOM 1110 CD ARG A 73 12.759 9.582 4.364 1.00 0.00 C ATOM 1111 NE ARG A 73 12.740 10.721 5.282 1.00 0.00 N ATOM 1112 CZ ARG A 73 13.498 11.807 5.147 1.00 0.00 C ATOM 1113 NH1 ARG A 73 14.304 11.943 4.100 1.00 0.00 N ATOM 1114 NH2 ARG A 73 13.431 12.772 6.054 1.00 0.00 N ATOM 1115 OXT ARG A 73 13.661 7.467 8.655 1.00 0.00 O ATOM 0 H ARG A 73 11.934 5.878 5.168 1.00 0.00 H new ATOM 0 HA ARG A 73 13.632 7.866 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.612 7.567 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.435 9.022 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.665 7.786 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.654 9.155 4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.691 9.031 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.738 9.945 3.336 1.00 0.00 H new ATOM 0 HE ARG A 73 12.104 10.680 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.346 11.212 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.881 12.779 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.801 12.680 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.010 13.606 5.955 1.00 0.00 H new TER 1129 ARG A 73 END