USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 29-JUL-01 1IQS TITLE MINIMIZED AVERAGE STRUCTURE OF MTH1880 FROM TITLE 2 METHANOBACTERIUM THERMOAUTOTROPHICUM COMPND MOL_ID: 1; COMPND 2 MOLECULE: MTH1880; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CONSERVED PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER SOURCE 3 THERMAUTOTROPHICUS; SOURCE 4 ORGANISM_TAXID: 145262; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET13B KEYWDS ALPHA-BETA, ANTI-PARALLEL, METAL BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.H.LEE,J.SHIN,E.BANG,J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE REVDAT 3 24-FEB-09 1IQS 1 VERSN REVDAT 2 14-JAN-03 1IQS 1 REMARK REVDAT 1 29-JUL-02 1IQS 0 JRNL AUTH C.H.LEE,J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE JRNL TITL SOLUTION STRUCTURE OF A NOVEL CALCIUM BINDING JRNL TITL 2 PROTEIN, MTH1880, FROM METHANOBACTERIUM JRNL TITL 3 THERMOAUTOTROPHICUM. JRNL REF PROTEIN SCI. V. 13 1148 2004 JRNL REFN ISSN 0961-8368 JRNL PMID 15044740 JRNL DOI 10.1110/PS.03472104 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 762 RESTRAINTS, 669 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 39 DIHEDRAL ANGLE RESTRAINTS,54 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1IQS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-AUG-01. REMARK 100 THE RCSB ID CODE IS RCSB005192. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM MTH1880 U-15N,13C; 25MM REMARK 210 PHOSPHATE BUFFER, 300MM NACL; REMARK 210 90% H2O, 10% D2O; 2MM MTH1880 REMARK 210 U-15N; 25MM PHOSPHATE BUFFER, REMARK 210 300MM NACL; 90% H2O, 10% D2O; REMARK 210 1MM MTH1880 U-15N; 25MM REMARK 210 PHOSPHATE BUFFER, 300MM NACL; REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA, 2D_ REMARK 210 15N HSQC FOR H/D EXCHANGE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX, INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, VNMR 6.1B, REMARK 210 NMRPIPE 1.8, SPARKY 3.98, REMARK 210 INSIGHT II 2000, MOLMOL 2.6.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 MATRIX RELAXATION TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THIS MODEL IS THE MINIMIZED REMARK 210 AVERAGE STRUCTURE FROM 20 REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 4 93.00 -51.59 REMARK 500 LEU A 12 -149.14 48.89 REMARK 500 PRO A 16 56.41 -69.04 REMARK 500 PHE A 19 -90.33 -170.31 REMARK 500 ASP A 24 -31.28 -36.75 REMARK 500 GLU A 30 46.93 -175.51 REMARK 500 LYS A 32 -73.49 -51.44 REMARK 500 LYS A 33 147.88 159.72 REMARK 500 LEU A 34 70.11 -118.09 REMARK 500 ASP A 38 132.20 -37.15 REMARK 500 ILE A 45 69.95 -159.90 REMARK 500 LYS A 46 34.32 37.38 REMARK 500 THR A 48 -56.01 75.96 REMARK 500 GLN A 49 56.05 172.25 REMARK 500 SER A 50 -160.08 -175.50 REMARK 500 ASN A 60 -88.67 -94.48 REMARK 500 SER A 61 59.32 168.80 REMARK 500 ASP A 63 -39.06 -37.29 REMARK 500 LEU A 69 -71.69 -52.95 REMARK 500 GLU A 70 -30.57 -38.16 REMARK 500 ALA A 74 12.92 -143.34 REMARK 500 LYS A 75 -154.11 -98.94 REMARK 500 ILE A 76 140.36 -36.08 REMARK 500 THR A 80 12.14 -142.25 REMARK 500 LEU A 81 30.27 37.92 REMARK 500 HIS A 87 41.37 -153.67 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IQO RELATED DB: PDB REMARK 900 1IQO CONTAINS SAME PROTEIN (20 STRUCTURES OF MTH1880) DBREF 1IQS A 1 88 UNP O27908 O27908_METTH 1 88 SEQADV 1IQS LEU A 1 UNP O27908 MET 1 ENGINEERED SEQRES 1 A 88 LEU PHE ILE ALA THR LEU LYS GLY ILE PHE THR LEU LYS SEQRES 2 A 88 ASP LEU PRO GLU GLU PHE ARG PRO PHE VAL ASP TYR LYS SEQRES 3 A 88 ALA GLY LEU GLU LYS LYS LYS LEU SER ASP ASP ASP GLU SEQRES 4 A 88 ILE ALA ILE ILE SER ILE LYS GLY THR GLN SER ASN HIS SEQRES 5 A 88 VAL LEU PHE LEU SER SER TYR ASN SER VAL ASP GLU ILE SEQRES 6 A 88 ARG LYS GLU LEU GLU GLU ALA GLY ALA LYS ILE ASN HIS SEQRES 7 A 88 THR THR LEU LYS ILE LEU GLU GLY HIS LEU HELIX 1 1 VAL A 23 LEU A 29 1 7 HELIX 2 2 VAL A 62 LYS A 75 1 14 HELIX 3 3 LEU A 81 LEU A 88 1 8 SHEET 1 A 3 LEU A 6 THR A 11 0 SHEET 2 A 3 GLU A 39 SER A 44 -1 N ILE A 40 O PHE A 10 SHEET 3 A 3 ASN A 51 PHE A 55 -1 N HIS A 52 O ILE A 43 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -174:sc= -1.16 (180deg=-1.45) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00891) USER MOD Single : A 11 THR OG1 : rot -7:sc= -2.04! USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= 0.265 (180deg=-3.46!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.51 (180deg=-2.17!) USER MOD Single : A 32 LYS NZ :NH3+ -134:sc= 0.384 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 49 GLN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -9.4! C(o=-9.4!,f=-17!) USER MOD Single : A 52 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00105 USER MOD Single : A 60 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.7!) USER MOD Single : A 61 SER OG : rot -94:sc= -0.329! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0712 K(o=-0.071,f=-3.7!) USER MOD Single : A 78 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-3.4!) USER MOD Single : A 79 THR OG1 : rot -42:sc= 1.17 USER MOD Single : A 80 THR OG1 : rot -21:sc= 1.17 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -4.49! C(o=-4.5!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.018 22.073 1.036 1.00 0.00 N ATOM 2 CA LEU A 1 -11.268 21.910 1.823 1.00 0.00 C ATOM 3 C LEU A 1 -11.933 20.569 1.529 1.00 0.00 C ATOM 4 O LEU A 1 -13.126 20.509 1.233 1.00 0.00 O ATOM 5 CB LEU A 1 -12.217 23.058 1.473 1.00 0.00 C ATOM 6 CG LEU A 1 -11.558 24.258 0.791 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.594 25.080 0.041 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.831 25.117 1.813 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.534 22.946 1.330 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.394 21.258 1.203 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.250 22.130 0.024 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.028 21.931 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.002 22.674 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.702 23.400 2.387 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.828 23.888 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.107 25.930 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.071 24.460 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.348 25.441 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.368 25.966 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.542 25.478 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.061 24.523 2.306 1.00 0.00 H new ATOM 22 N PHE A 2 -11.153 19.496 1.614 1.00 0.00 N ATOM 23 CA PHE A 2 -11.667 18.156 1.357 1.00 0.00 C ATOM 24 C PHE A 2 -10.784 17.100 2.014 1.00 0.00 C ATOM 25 O PHE A 2 -9.887 17.423 2.793 1.00 0.00 O ATOM 26 CB PHE A 2 -11.754 17.900 -0.148 1.00 0.00 C ATOM 27 CG PHE A 2 -12.645 18.870 -0.871 1.00 0.00 C ATOM 28 CD1 PHE A 2 -14.017 18.848 -0.678 1.00 0.00 C ATOM 29 CD2 PHE A 2 -12.109 19.803 -1.744 1.00 0.00 C ATOM 30 CE1 PHE A 2 -14.838 19.739 -1.342 1.00 0.00 C ATOM 31 CE2 PHE A 2 -12.926 20.697 -2.411 1.00 0.00 C ATOM 32 CZ PHE A 2 -14.292 20.665 -2.210 1.00 0.00 C ATOM 0 H PHE A 2 -10.163 19.529 1.859 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.666 18.088 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.753 17.951 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.121 16.887 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -14.449 18.126 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -11.041 19.832 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -15.906 19.712 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -12.496 21.420 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 2 -14.932 21.362 -2.730 1.00 0.00 H new ATOM 42 N ILE A 3 -11.044 15.836 1.693 1.00 0.00 N ATOM 43 CA ILE A 3 -10.272 14.732 2.252 1.00 0.00 C ATOM 44 C ILE A 3 -8.994 14.497 1.454 1.00 0.00 C ATOM 45 O ILE A 3 -8.980 13.718 0.501 1.00 0.00 O ATOM 46 CB ILE A 3 -11.094 13.429 2.279 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.282 13.569 3.231 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.215 12.257 2.688 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.214 14.707 2.872 1.00 0.00 C ATOM 0 H ILE A 3 -11.782 15.551 1.049 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.014 15.011 3.274 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.477 13.238 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.846 12.636 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.909 13.721 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.810 11.344 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.399 12.147 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.805 12.439 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.033 14.747 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.665 15.648 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.616 14.547 1.871 1.00 0.00 H new ATOM 61 N ALA A 4 -7.922 15.175 1.851 1.00 0.00 N ATOM 62 CA ALA A 4 -6.639 15.040 1.173 1.00 0.00 C ATOM 63 C ALA A 4 -6.239 13.574 1.040 1.00 0.00 C ATOM 64 O ALA A 4 -5.624 13.004 1.941 1.00 0.00 O ATOM 65 CB ALA A 4 -5.564 15.816 1.919 1.00 0.00 C ATOM 0 H ALA A 4 -7.917 15.823 2.639 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.741 15.454 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.611 15.706 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.837 16.871 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.473 15.428 2.933 1.00 0.00 H new ATOM 71 N THR A 5 -6.593 12.970 -0.089 1.00 0.00 N ATOM 72 CA THR A 5 -6.271 11.570 -0.340 1.00 0.00 C ATOM 73 C THR A 5 -4.930 11.440 -1.054 1.00 0.00 C ATOM 74 O THR A 5 -4.780 11.871 -2.197 1.00 0.00 O ATOM 75 CB THR A 5 -7.372 10.913 -1.174 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.035 11.874 -1.975 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.420 10.212 -0.336 1.00 0.00 C ATOM 0 H THR A 5 -7.103 13.428 -0.845 1.00 0.00 H new ATOM 0 HA THR A 5 -6.201 11.061 0.621 1.00 0.00 H new ATOM 0 HB THR A 5 -6.864 10.169 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.734 11.434 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.171 9.768 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.947 9.430 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.897 10.933 0.328 1.00 0.00 H new ATOM 85 N LEU A 6 -3.957 10.843 -0.372 1.00 0.00 N ATOM 86 CA LEU A 6 -2.628 10.657 -0.942 1.00 0.00 C ATOM 87 C LEU A 6 -2.428 9.215 -1.397 1.00 0.00 C ATOM 88 O LEU A 6 -2.873 8.277 -0.735 1.00 0.00 O ATOM 89 CB LEU A 6 -1.554 11.035 0.080 1.00 0.00 C ATOM 90 CG LEU A 6 -0.599 12.144 -0.365 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.351 13.221 -1.130 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.118 12.742 0.836 1.00 0.00 C ATOM 0 H LEU A 6 -4.064 10.480 0.575 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.538 11.309 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.045 11.347 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.969 10.146 0.316 1.00 0.00 H new ATOM 0 HG LEU A 6 0.147 11.710 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.655 14.001 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.818 12.782 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.120 13.653 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.793 13.529 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.615 13.161 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.690 11.964 1.343 1.00 0.00 H new ATOM 104 N LYS A 7 -1.755 9.045 -2.530 1.00 0.00 N ATOM 105 CA LYS A 7 -1.495 7.717 -3.074 1.00 0.00 C ATOM 106 C LYS A 7 -0.080 7.627 -3.636 1.00 0.00 C ATOM 107 O LYS A 7 0.175 8.032 -4.770 1.00 0.00 O ATOM 108 CB LYS A 7 -2.512 7.382 -4.166 1.00 0.00 C ATOM 109 CG LYS A 7 -3.915 7.133 -3.636 1.00 0.00 C ATOM 110 CD LYS A 7 -4.956 7.253 -4.737 1.00 0.00 C ATOM 111 CE LYS A 7 -5.657 5.927 -4.986 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.002 6.117 -5.597 1.00 0.00 N ATOM 0 H LYS A 7 -1.380 9.811 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.592 6.995 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.544 8.201 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.174 6.497 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.966 6.139 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.138 7.848 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.692 8.009 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.478 7.592 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.044 5.310 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.759 5.387 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.419 5.189 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.617 6.626 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.910 6.668 -6.474 1.00 0.00 H new ATOM 126 N GLY A 8 0.836 7.095 -2.834 1.00 0.00 N ATOM 127 CA GLY A 8 2.214 6.962 -3.269 1.00 0.00 C ATOM 128 C GLY A 8 2.513 5.589 -3.839 1.00 0.00 C ATOM 129 O GLY A 8 2.260 4.572 -3.193 1.00 0.00 O ATOM 0 H GLY A 8 0.649 6.754 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.428 7.719 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.878 7.154 -2.426 1.00 0.00 H new ATOM 133 N ILE A 9 3.054 5.560 -5.053 1.00 0.00 N ATOM 134 CA ILE A 9 3.388 4.303 -5.711 1.00 0.00 C ATOM 135 C ILE A 9 4.790 3.839 -5.329 1.00 0.00 C ATOM 136 O ILE A 9 5.759 4.587 -5.460 1.00 0.00 O ATOM 137 CB ILE A 9 3.303 4.430 -7.243 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.862 4.712 -7.674 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.823 3.165 -7.910 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.655 4.646 -9.172 1.00 0.00 C ATOM 0 H ILE A 9 3.270 6.393 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 9 2.658 3.567 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 9 3.927 5.266 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.200 3.993 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.572 5.701 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.756 3.271 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.863 3.004 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.223 2.313 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.611 4.856 -9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.291 5.384 -9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.913 3.650 -9.531 1.00 0.00 H new ATOM 152 N PHE A 10 4.890 2.602 -4.855 1.00 0.00 N ATOM 153 CA PHE A 10 6.174 2.039 -4.454 1.00 0.00 C ATOM 154 C PHE A 10 6.547 0.850 -5.334 1.00 0.00 C ATOM 155 O PHE A 10 6.018 -0.249 -5.168 1.00 0.00 O ATOM 156 CB PHE A 10 6.129 1.606 -2.986 1.00 0.00 C ATOM 157 CG PHE A 10 6.068 2.755 -2.019 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.722 3.946 -2.293 1.00 0.00 C ATOM 159 CD2 PHE A 10 5.356 2.643 -0.836 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.667 5.003 -1.405 1.00 0.00 C ATOM 161 CE2 PHE A 10 5.298 3.697 0.056 1.00 0.00 C ATOM 162 CZ PHE A 10 5.954 4.878 -0.229 1.00 0.00 C ATOM 0 H PHE A 10 4.098 1.970 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 10 6.934 2.811 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.260 0.966 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.011 1.004 -2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.281 4.049 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.840 1.722 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.181 5.926 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.740 3.597 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.910 5.703 0.467 1.00 0.00 H new ATOM 172 N THR A 11 7.461 1.078 -6.272 1.00 0.00 N ATOM 173 CA THR A 11 7.904 0.025 -7.180 1.00 0.00 C ATOM 174 C THR A 11 9.360 -0.331 -6.941 1.00 0.00 C ATOM 175 O THR A 11 10.233 0.537 -6.922 1.00 0.00 O ATOM 176 CB THR A 11 7.700 0.453 -8.634 1.00 0.00 C ATOM 177 OG1 THR A 11 8.807 1.206 -9.096 1.00 0.00 O ATOM 178 CG2 THR A 11 6.456 1.289 -8.843 1.00 0.00 C ATOM 0 H THR A 11 7.909 1.982 -6.423 1.00 0.00 H new ATOM 0 HA THR A 11 7.301 -0.861 -6.982 1.00 0.00 H new ATOM 0 HB THR A 11 7.593 -0.475 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.416 1.384 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.371 1.559 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.578 0.716 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.521 2.195 -8.241 1.00 0.00 H new ATOM 186 N LEU A 12 9.610 -1.621 -6.761 1.00 0.00 N ATOM 187 CA LEU A 12 10.955 -2.107 -6.526 1.00 0.00 C ATOM 188 C LEU A 12 11.637 -1.285 -5.433 1.00 0.00 C ATOM 189 O LEU A 12 10.980 -0.784 -4.521 1.00 0.00 O ATOM 190 CB LEU A 12 11.760 -2.055 -7.828 1.00 0.00 C ATOM 191 CG LEU A 12 10.946 -2.292 -9.101 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.825 -3.286 -8.840 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.386 -0.979 -9.627 1.00 0.00 C ATOM 0 H LEU A 12 8.895 -2.348 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 12 10.905 -3.142 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.243 -1.081 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.553 -2.801 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 12 11.606 -2.712 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.257 -3.442 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.249 -4.234 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.165 -2.895 -8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.810 -1.166 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.740 -0.531 -8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.207 -0.298 -9.853 1.00 0.00 H new ATOM 205 N LYS A 13 12.953 -1.153 -5.529 1.00 0.00 N ATOM 206 CA LYS A 13 13.722 -0.395 -4.549 1.00 0.00 C ATOM 207 C LYS A 13 13.622 1.101 -4.820 1.00 0.00 C ATOM 208 O LYS A 13 13.833 1.920 -3.925 1.00 0.00 O ATOM 209 CB LYS A 13 15.188 -0.833 -4.570 1.00 0.00 C ATOM 210 CG LYS A 13 15.397 -2.279 -4.152 1.00 0.00 C ATOM 211 CD LYS A 13 14.587 -2.624 -2.912 1.00 0.00 C ATOM 212 CE LYS A 13 13.320 -3.384 -3.268 1.00 0.00 C ATOM 213 NZ LYS A 13 13.618 -4.722 -3.849 1.00 0.00 N ATOM 0 H LYS A 13 13.512 -1.562 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 13 13.305 -0.596 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.586 -0.693 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.762 -0.185 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.111 -2.940 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.455 -2.453 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.194 -3.224 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.326 -1.709 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.706 -3.505 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.735 -2.801 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.192 -4.792 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.648 -4.847 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.222 -5.463 -3.236 1.00 0.00 H new ATOM 227 N ASP A 14 13.295 1.452 -6.059 1.00 0.00 N ATOM 228 CA ASP A 14 13.163 2.851 -6.447 1.00 0.00 C ATOM 229 C ASP A 14 11.814 3.417 -6.006 1.00 0.00 C ATOM 230 O ASP A 14 11.471 4.552 -6.337 1.00 0.00 O ATOM 231 CB ASP A 14 13.319 2.998 -7.962 1.00 0.00 C ATOM 232 CG ASP A 14 14.069 4.258 -8.346 1.00 0.00 C ATOM 233 OD1 ASP A 14 14.660 4.894 -7.448 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.066 4.608 -9.545 1.00 0.00 O ATOM 0 H ASP A 14 13.117 0.787 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 14 13.952 3.415 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.847 2.130 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.333 3.009 -8.427 1.00 0.00 H new ATOM 239 N LEU A 15 11.053 2.620 -5.260 1.00 0.00 N ATOM 240 CA LEU A 15 9.743 3.046 -4.780 1.00 0.00 C ATOM 241 C LEU A 15 9.794 4.395 -4.052 1.00 0.00 C ATOM 242 O LEU A 15 8.828 5.156 -4.103 1.00 0.00 O ATOM 243 CB LEU A 15 9.124 1.980 -3.867 1.00 0.00 C ATOM 244 CG LEU A 15 10.062 1.368 -2.824 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.216 2.299 -1.631 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.539 0.011 -2.375 1.00 0.00 C ATOM 0 H LEU A 15 11.321 1.678 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 15 9.115 3.174 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.274 2.423 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.733 1.177 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 15 11.042 1.230 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.886 1.846 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.631 3.251 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.241 2.468 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.216 -0.413 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.548 0.130 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.478 -0.658 -3.234 1.00 0.00 H new ATOM 258 N PRO A 16 10.905 4.728 -3.358 1.00 0.00 N ATOM 259 CA PRO A 16 11.019 6.000 -2.635 1.00 0.00 C ATOM 260 C PRO A 16 11.102 7.195 -3.577 1.00 0.00 C ATOM 261 O PRO A 16 12.049 7.979 -3.521 1.00 0.00 O ATOM 262 CB PRO A 16 12.321 5.859 -1.836 1.00 0.00 C ATOM 263 CG PRO A 16 12.677 4.411 -1.908 1.00 0.00 C ATOM 264 CD PRO A 16 12.124 3.922 -3.211 1.00 0.00 C ATOM 0 HA PRO A 16 10.145 6.185 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.111 6.479 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.184 6.179 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.757 4.271 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.249 3.861 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.820 4.084 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.905 2.855 -3.184 1.00 0.00 H new ATOM 272 N GLU A 17 10.103 7.325 -4.440 1.00 0.00 N ATOM 273 CA GLU A 17 10.053 8.421 -5.400 1.00 0.00 C ATOM 274 C GLU A 17 10.495 9.730 -4.755 1.00 0.00 C ATOM 275 O GLU A 17 11.013 10.622 -5.428 1.00 0.00 O ATOM 276 CB GLU A 17 8.638 8.565 -5.964 1.00 0.00 C ATOM 277 CG GLU A 17 7.723 9.424 -5.106 1.00 0.00 C ATOM 278 CD GLU A 17 7.502 10.805 -5.691 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.173 11.140 -6.690 1.00 0.00 O ATOM 280 OE2 GLU A 17 6.657 11.550 -5.152 1.00 0.00 O ATOM 0 H GLU A 17 9.313 6.682 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 17 10.740 8.191 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.697 8.998 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.196 7.574 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.761 8.923 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.151 9.520 -4.108 1.00 0.00 H new ATOM 287 N GLU A 18 10.288 9.839 -3.447 1.00 0.00 N ATOM 288 CA GLU A 18 10.665 11.039 -2.711 1.00 0.00 C ATOM 289 C GLU A 18 12.172 11.114 -2.529 1.00 0.00 C ATOM 290 O GLU A 18 12.829 12.034 -3.015 1.00 0.00 O ATOM 291 CB GLU A 18 9.973 11.066 -1.347 1.00 0.00 C ATOM 292 CG GLU A 18 9.027 12.243 -1.168 1.00 0.00 C ATOM 293 CD GLU A 18 8.899 12.672 0.280 1.00 0.00 C ATOM 294 OE1 GLU A 18 8.664 11.797 1.140 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.032 13.883 0.555 1.00 0.00 O ATOM 0 H GLU A 18 9.861 9.110 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 18 10.344 11.905 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.416 10.139 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.731 11.098 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.383 13.084 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.043 11.975 -1.552 1.00 0.00 H new ATOM 302 N PHE A 19 12.704 10.134 -1.825 1.00 0.00 N ATOM 303 CA PHE A 19 14.137 10.063 -1.562 1.00 0.00 C ATOM 304 C PHE A 19 14.510 8.722 -0.939 1.00 0.00 C ATOM 305 O PHE A 19 14.815 7.761 -1.646 1.00 0.00 O ATOM 306 CB PHE A 19 14.564 11.204 -0.637 1.00 0.00 C ATOM 307 CG PHE A 19 15.226 12.344 -1.357 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.554 12.259 -1.742 1.00 0.00 C ATOM 309 CD2 PHE A 19 14.520 13.500 -1.649 1.00 0.00 C ATOM 310 CE1 PHE A 19 17.166 13.306 -2.405 1.00 0.00 C ATOM 311 CE2 PHE A 19 15.127 14.551 -2.311 1.00 0.00 C ATOM 312 CZ PHE A 19 16.451 14.453 -2.690 1.00 0.00 C ATOM 0 H PHE A 19 12.165 9.369 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 19 14.661 10.160 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.688 11.579 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 19 15.249 10.814 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 19 17.118 11.364 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.484 13.581 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.202 13.227 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.566 15.447 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.927 15.272 -3.209 1.00 0.00 H new ATOM 322 N ARG A 20 14.483 8.664 0.389 1.00 0.00 N ATOM 323 CA ARG A 20 14.818 7.441 1.108 1.00 0.00 C ATOM 324 C ARG A 20 13.594 6.543 1.255 1.00 0.00 C ATOM 325 O ARG A 20 12.468 7.025 1.381 1.00 0.00 O ATOM 326 CB ARG A 20 15.388 7.777 2.488 1.00 0.00 C ATOM 327 CG ARG A 20 16.549 8.757 2.444 1.00 0.00 C ATOM 328 CD ARG A 20 17.864 8.079 2.792 1.00 0.00 C ATOM 329 NE ARG A 20 18.059 7.971 4.235 1.00 0.00 N ATOM 330 CZ ARG A 20 18.998 7.217 4.797 1.00 0.00 C ATOM 331 NH1 ARG A 20 19.824 6.509 4.038 1.00 0.00 N ATOM 332 NH2 ARG A 20 19.113 7.171 6.117 1.00 0.00 N ATOM 0 H ARG A 20 14.232 9.450 0.989 1.00 0.00 H new ATOM 0 HA ARG A 20 15.572 6.905 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.594 8.194 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.718 6.857 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.617 9.197 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.364 9.574 3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.888 7.084 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.689 8.642 2.356 1.00 0.00 H new ATOM 0 HE ARG A 20 17.440 8.504 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.739 6.543 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.544 5.931 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.480 7.715 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.834 6.592 6.546 1.00 0.00 H new ATOM 346 N PRO A 21 13.805 5.219 1.241 1.00 0.00 N ATOM 347 CA PRO A 21 12.720 4.242 1.372 1.00 0.00 C ATOM 348 C PRO A 21 12.157 4.184 2.788 1.00 0.00 C ATOM 349 O PRO A 21 12.907 4.161 3.764 1.00 0.00 O ATOM 350 CB PRO A 21 13.394 2.918 1.010 1.00 0.00 C ATOM 351 CG PRO A 21 14.829 3.119 1.356 1.00 0.00 C ATOM 352 CD PRO A 21 15.121 4.572 1.094 1.00 0.00 C ATOM 0 HA PRO A 21 11.868 4.491 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.964 2.088 1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.270 2.686 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.018 2.865 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.470 2.477 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.846 4.970 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.534 4.725 0.097 1.00 0.00 H new ATOM 360 N PHE A 22 10.833 4.159 2.892 1.00 0.00 N ATOM 361 CA PHE A 22 10.168 4.101 4.188 1.00 0.00 C ATOM 362 C PHE A 22 9.723 2.678 4.506 1.00 0.00 C ATOM 363 O PHE A 22 9.573 2.308 5.670 1.00 0.00 O ATOM 364 CB PHE A 22 8.962 5.042 4.210 1.00 0.00 C ATOM 365 CG PHE A 22 8.645 5.581 5.576 1.00 0.00 C ATOM 366 CD1 PHE A 22 7.986 4.796 6.508 1.00 0.00 C ATOM 367 CD2 PHE A 22 9.007 6.871 5.928 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.693 5.288 7.766 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.717 7.369 7.184 1.00 0.00 C ATOM 370 CZ PHE A 22 8.059 6.577 8.104 1.00 0.00 C ATOM 0 H PHE A 22 10.199 4.178 2.093 1.00 0.00 H new ATOM 0 HA PHE A 22 10.881 4.419 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.150 5.876 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.091 4.511 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.698 3.788 6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.522 7.495 5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.179 4.666 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.005 8.377 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.831 6.964 9.086 1.00 0.00 H new ATOM 380 N VAL A 23 9.515 1.883 3.461 1.00 0.00 N ATOM 381 CA VAL A 23 9.089 0.499 3.627 1.00 0.00 C ATOM 382 C VAL A 23 10.274 -0.455 3.528 1.00 0.00 C ATOM 383 O VAL A 23 10.226 -1.575 4.038 1.00 0.00 O ATOM 384 CB VAL A 23 8.038 0.104 2.573 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.872 1.080 2.588 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.669 0.036 1.190 1.00 0.00 C ATOM 0 H VAL A 23 9.635 2.174 2.491 1.00 0.00 H new ATOM 0 HA VAL A 23 8.644 0.422 4.619 1.00 0.00 H new ATOM 0 HB VAL A 23 7.655 -0.886 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.140 0.784 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.404 1.073 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.235 2.084 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.912 -0.244 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.082 1.011 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.466 -0.707 1.190 1.00 0.00 H new ATOM 396 N ASP A 24 11.337 -0.004 2.870 1.00 0.00 N ATOM 397 CA ASP A 24 12.535 -0.819 2.707 1.00 0.00 C ATOM 398 C ASP A 24 12.798 -1.650 3.958 1.00 0.00 C ATOM 399 O ASP A 24 13.336 -2.755 3.880 1.00 0.00 O ATOM 400 CB ASP A 24 13.745 0.069 2.406 1.00 0.00 C ATOM 401 CG ASP A 24 15.060 -0.657 2.612 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.363 -1.021 3.767 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.787 -0.861 1.617 1.00 0.00 O ATOM 0 H ASP A 24 11.393 0.920 2.442 1.00 0.00 H new ATOM 0 HA ASP A 24 12.374 -1.496 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.686 0.423 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.715 0.950 3.048 1.00 0.00 H new ATOM 408 N TYR A 25 12.414 -1.111 5.110 1.00 0.00 N ATOM 409 CA TYR A 25 12.606 -1.803 6.379 1.00 0.00 C ATOM 410 C TYR A 25 11.884 -3.146 6.378 1.00 0.00 C ATOM 411 O TYR A 25 12.418 -4.148 6.852 1.00 0.00 O ATOM 412 CB TYR A 25 12.103 -0.939 7.537 1.00 0.00 C ATOM 413 CG TYR A 25 10.618 -1.069 7.791 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.699 -0.353 7.035 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.136 -1.909 8.787 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.341 -0.469 7.265 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.780 -2.031 9.022 1.00 0.00 C ATOM 418 CZ TYR A 25 7.887 -1.309 8.259 1.00 0.00 C ATOM 419 OH TYR A 25 6.536 -1.428 8.490 1.00 0.00 O ATOM 0 H TYR A 25 11.968 -0.197 5.191 1.00 0.00 H new ATOM 0 HA TYR A 25 13.673 -1.984 6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.643 -1.212 8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.337 0.105 7.328 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.051 0.305 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.832 -2.476 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.639 0.096 6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.421 -2.689 9.800 1.00 0.00 H new ATOM 0 HH TYR A 25 6.384 -2.060 9.223 1.00 0.00 H new ATOM 429 N LYS A 26 10.669 -3.158 5.840 1.00 0.00 N ATOM 430 CA LYS A 26 9.877 -4.380 5.775 1.00 0.00 C ATOM 431 C LYS A 26 10.560 -5.420 4.893 1.00 0.00 C ATOM 432 O LYS A 26 10.410 -6.623 5.104 1.00 0.00 O ATOM 433 CB LYS A 26 8.476 -4.079 5.240 1.00 0.00 C ATOM 434 CG LYS A 26 7.658 -5.325 4.941 1.00 0.00 C ATOM 435 CD LYS A 26 6.366 -4.982 4.218 1.00 0.00 C ATOM 436 CE LYS A 26 5.203 -5.818 4.729 1.00 0.00 C ATOM 437 NZ LYS A 26 3.889 -5.250 4.321 1.00 0.00 N ATOM 0 H LYS A 26 10.212 -2.337 5.443 1.00 0.00 H new ATOM 0 HA LYS A 26 9.791 -4.783 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.941 -3.470 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.563 -3.485 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.247 -6.010 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.429 -5.843 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.142 -3.924 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.492 -5.147 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.293 -6.835 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.250 -5.879 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.123 -5.849 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.792 -4.289 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.833 -5.215 3.283 1.00 0.00 H new ATOM 451 N ALA A 27 11.312 -4.946 3.905 1.00 0.00 N ATOM 452 CA ALA A 27 12.021 -5.832 2.992 1.00 0.00 C ATOM 453 C ALA A 27 13.286 -6.383 3.640 1.00 0.00 C ATOM 454 O ALA A 27 13.816 -7.411 3.216 1.00 0.00 O ATOM 455 CB ALA A 27 12.362 -5.099 1.703 1.00 0.00 C ATOM 0 H ALA A 27 11.445 -3.952 3.717 1.00 0.00 H new ATOM 0 HA ALA A 27 11.367 -6.672 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.892 -5.773 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.444 -4.757 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.995 -4.241 1.929 1.00 0.00 H new ATOM 461 N GLY A 28 13.765 -5.693 4.670 1.00 0.00 N ATOM 462 CA GLY A 28 14.964 -6.128 5.361 1.00 0.00 C ATOM 463 C GLY A 28 14.727 -6.362 6.840 1.00 0.00 C ATOM 464 O GLY A 28 15.675 -6.518 7.610 1.00 0.00 O ATOM 0 H GLY A 28 13.344 -4.840 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.329 -7.048 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.745 -5.378 5.235 1.00 0.00 H new ATOM 468 N LEU A 29 13.459 -6.385 7.239 1.00 0.00 N ATOM 469 CA LEU A 29 13.101 -6.601 8.636 1.00 0.00 C ATOM 470 C LEU A 29 13.425 -8.027 9.075 1.00 0.00 C ATOM 471 O LEU A 29 13.299 -8.367 10.251 1.00 0.00 O ATOM 472 CB LEU A 29 11.615 -6.313 8.853 1.00 0.00 C ATOM 473 CG LEU A 29 10.685 -7.509 8.640 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.406 -8.210 9.961 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.386 -7.063 7.986 1.00 0.00 C ATOM 0 H LEU A 29 12.663 -6.257 6.615 1.00 0.00 H new ATOM 0 HA LEU A 29 13.691 -5.915 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.477 -5.942 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.313 -5.513 8.177 1.00 0.00 H new ATOM 0 HG LEU A 29 11.180 -8.216 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.743 -9.058 9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.343 -8.563 10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.931 -7.512 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.736 -7.926 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.887 -6.336 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.603 -6.607 7.020 1.00 0.00 H new ATOM 487 N GLU A 30 13.842 -8.858 8.125 1.00 0.00 N ATOM 488 CA GLU A 30 14.182 -10.245 8.419 1.00 0.00 C ATOM 489 C GLU A 30 14.734 -10.945 7.181 1.00 0.00 C ATOM 490 O GLU A 30 14.324 -12.056 6.852 1.00 0.00 O ATOM 491 CB GLU A 30 12.954 -10.995 8.938 1.00 0.00 C ATOM 492 CG GLU A 30 13.280 -12.350 9.545 1.00 0.00 C ATOM 493 CD GLU A 30 12.045 -13.200 9.771 1.00 0.00 C ATOM 494 OE1 GLU A 30 11.564 -13.819 8.799 1.00 0.00 O ATOM 495 OE2 GLU A 30 11.558 -13.245 10.920 1.00 0.00 O ATOM 0 H GLU A 30 13.952 -8.595 7.146 1.00 0.00 H new ATOM 0 HA GLU A 30 14.953 -10.247 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.454 -10.381 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.250 -11.134 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.968 -12.882 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.795 -12.204 10.495 1.00 0.00 H new ATOM 502 N LYS A 31 15.662 -10.280 6.500 1.00 0.00 N ATOM 503 CA LYS A 31 16.277 -10.825 5.294 1.00 0.00 C ATOM 504 C LYS A 31 15.215 -11.216 4.274 1.00 0.00 C ATOM 505 O LYS A 31 15.319 -12.245 3.607 1.00 0.00 O ATOM 506 CB LYS A 31 17.171 -12.024 5.637 1.00 0.00 C ATOM 507 CG LYS A 31 16.458 -13.370 5.619 1.00 0.00 C ATOM 508 CD LYS A 31 16.666 -14.125 6.922 1.00 0.00 C ATOM 509 CE LYS A 31 17.348 -15.463 6.688 1.00 0.00 C ATOM 510 NZ LYS A 31 18.382 -15.380 5.620 1.00 0.00 N ATOM 0 H LYS A 31 16.006 -9.357 6.765 1.00 0.00 H new ATOM 0 HA LYS A 31 16.902 -10.050 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.000 -12.057 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.602 -11.869 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.392 -13.217 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.828 -13.969 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.269 -13.522 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.704 -14.286 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.810 -15.802 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.601 -16.208 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.109 -16.106 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.937 -15.538 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.823 -14.438 5.637 1.00 0.00 H new ATOM 524 N LYS A 32 14.195 -10.376 4.160 1.00 0.00 N ATOM 525 CA LYS A 32 13.104 -10.617 3.223 1.00 0.00 C ATOM 526 C LYS A 32 13.641 -10.896 1.823 1.00 0.00 C ATOM 527 O LYS A 32 13.620 -12.035 1.355 1.00 0.00 O ATOM 528 CB LYS A 32 12.159 -9.414 3.189 1.00 0.00 C ATOM 529 CG LYS A 32 10.688 -9.796 3.230 1.00 0.00 C ATOM 530 CD LYS A 32 9.876 -8.994 2.226 1.00 0.00 C ATOM 531 CE LYS A 32 8.870 -9.869 1.497 1.00 0.00 C ATOM 532 NZ LYS A 32 7.476 -9.373 1.667 1.00 0.00 N ATOM 0 H LYS A 32 14.100 -9.520 4.706 1.00 0.00 H new ATOM 0 HA LYS A 32 12.553 -11.494 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.381 -8.764 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.351 -8.837 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.581 -10.860 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.296 -9.629 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.353 -8.188 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.546 -8.529 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.117 -9.900 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.940 -10.891 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.850 -10.170 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.448 -8.674 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.155 -8.929 0.783 1.00 0.00 H new ATOM 546 N LYS A 33 14.123 -9.850 1.159 1.00 0.00 N ATOM 547 CA LYS A 33 14.666 -9.983 -0.188 1.00 0.00 C ATOM 548 C LYS A 33 14.683 -8.636 -0.903 1.00 0.00 C ATOM 549 O LYS A 33 13.821 -7.788 -0.672 1.00 0.00 O ATOM 550 CB LYS A 33 13.844 -10.991 -0.994 1.00 0.00 C ATOM 551 CG LYS A 33 14.544 -12.325 -1.194 1.00 0.00 C ATOM 552 CD LYS A 33 15.793 -12.176 -2.047 1.00 0.00 C ATOM 553 CE LYS A 33 15.448 -11.811 -3.482 1.00 0.00 C ATOM 554 NZ LYS A 33 16.618 -11.961 -4.390 1.00 0.00 N ATOM 0 H LYS A 33 14.149 -8.901 1.532 1.00 0.00 H new ATOM 0 HA LYS A 33 15.691 -10.343 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.894 -11.161 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.613 -10.562 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.812 -12.745 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.860 -13.029 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.437 -11.407 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.357 -13.108 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.633 -12.445 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.090 -10.782 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.341 -11.703 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.387 -11.337 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.945 -12.948 -4.375 1.00 0.00 H new ATOM 568 N LEU A 34 15.671 -8.446 -1.772 1.00 0.00 N ATOM 569 CA LEU A 34 15.801 -7.202 -2.521 1.00 0.00 C ATOM 570 C LEU A 34 15.683 -7.456 -4.021 1.00 0.00 C ATOM 571 O LEU A 34 16.662 -7.344 -4.758 1.00 0.00 O ATOM 572 CB LEU A 34 17.140 -6.532 -2.210 1.00 0.00 C ATOM 573 CG LEU A 34 17.179 -5.738 -0.903 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.657 -6.582 0.250 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.592 -5.255 -0.615 1.00 0.00 C ATOM 0 H LEU A 34 16.393 -9.138 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 34 14.992 -6.538 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.913 -7.299 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.393 -5.862 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 34 16.533 -4.867 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.692 -6.001 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.628 -6.878 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.276 -7.472 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.601 -4.692 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.259 -6.113 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.930 -4.614 -1.429 1.00 0.00 H new ATOM 587 N SER A 35 14.478 -7.797 -4.465 1.00 0.00 N ATOM 588 CA SER A 35 14.231 -8.067 -5.877 1.00 0.00 C ATOM 589 C SER A 35 13.693 -6.826 -6.582 1.00 0.00 C ATOM 590 O SER A 35 13.185 -5.906 -5.940 1.00 0.00 O ATOM 591 CB SER A 35 13.244 -9.225 -6.032 1.00 0.00 C ATOM 592 OG SER A 35 13.924 -10.449 -6.253 1.00 0.00 O ATOM 0 H SER A 35 13.657 -7.893 -3.868 1.00 0.00 H new ATOM 0 HA SER A 35 15.179 -8.343 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.628 -9.304 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.571 -9.024 -6.865 1.00 0.00 H new ATOM 0 HG SER A 35 13.271 -11.174 -6.347 1.00 0.00 H new ATOM 598 N ASP A 36 13.807 -6.808 -7.906 1.00 0.00 N ATOM 599 CA ASP A 36 13.331 -5.680 -8.698 1.00 0.00 C ATOM 600 C ASP A 36 11.855 -5.844 -9.047 1.00 0.00 C ATOM 601 O ASP A 36 11.335 -5.159 -9.928 1.00 0.00 O ATOM 602 CB ASP A 36 14.157 -5.545 -9.979 1.00 0.00 C ATOM 603 CG ASP A 36 15.376 -4.664 -9.790 1.00 0.00 C ATOM 604 OD1 ASP A 36 15.870 -4.571 -8.646 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.838 -4.067 -10.785 1.00 0.00 O ATOM 0 H ASP A 36 14.225 -7.561 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 36 13.447 -4.775 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.475 -6.534 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.531 -5.130 -10.770 1.00 0.00 H new ATOM 610 N ASP A 37 11.186 -6.756 -8.350 1.00 0.00 N ATOM 611 CA ASP A 37 9.769 -7.010 -8.585 1.00 0.00 C ATOM 612 C ASP A 37 8.919 -6.436 -7.457 1.00 0.00 C ATOM 613 O ASP A 37 7.748 -6.110 -7.652 1.00 0.00 O ATOM 614 CB ASP A 37 9.514 -8.512 -8.718 1.00 0.00 C ATOM 615 CG ASP A 37 8.911 -8.880 -10.060 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.441 -7.966 -10.770 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.909 -10.081 -10.401 1.00 0.00 O ATOM 0 H ASP A 37 11.602 -7.332 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 37 9.487 -6.517 -9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.452 -9.050 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.845 -8.836 -7.921 1.00 0.00 H new ATOM 622 N ASP A 38 9.515 -6.315 -6.276 1.00 0.00 N ATOM 623 CA ASP A 38 8.812 -5.780 -5.115 1.00 0.00 C ATOM 624 C ASP A 38 7.871 -4.652 -5.523 1.00 0.00 C ATOM 625 O ASP A 38 8.256 -3.744 -6.260 1.00 0.00 O ATOM 626 CB ASP A 38 9.813 -5.275 -4.075 1.00 0.00 C ATOM 627 CG ASP A 38 9.436 -5.682 -2.664 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.241 -5.957 -2.425 1.00 0.00 O ATOM 629 OD2 ASP A 38 10.335 -5.726 -1.798 1.00 0.00 O ATOM 0 H ASP A 38 10.484 -6.580 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 38 8.219 -6.583 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.804 -5.664 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.875 -4.188 -4.132 1.00 0.00 H new ATOM 634 N GLU A 39 6.635 -4.716 -5.039 1.00 0.00 N ATOM 635 CA GLU A 39 5.637 -3.699 -5.352 1.00 0.00 C ATOM 636 C GLU A 39 4.779 -3.385 -4.132 1.00 0.00 C ATOM 637 O GLU A 39 4.141 -4.271 -3.563 1.00 0.00 O ATOM 638 CB GLU A 39 4.750 -4.165 -6.508 1.00 0.00 C ATOM 639 CG GLU A 39 5.142 -3.574 -7.853 1.00 0.00 C ATOM 640 CD GLU A 39 4.036 -3.687 -8.884 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.167 -4.570 -8.728 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.039 -2.892 -9.847 1.00 0.00 O ATOM 0 H GLU A 39 6.300 -5.461 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 39 6.161 -2.790 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.793 -5.252 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.715 -3.899 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.405 -2.524 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.032 -4.082 -8.223 1.00 0.00 H new ATOM 649 N ILE A 40 4.766 -2.116 -3.735 1.00 0.00 N ATOM 650 CA ILE A 40 3.986 -1.684 -2.582 1.00 0.00 C ATOM 651 C ILE A 40 3.182 -0.429 -2.903 1.00 0.00 C ATOM 652 O ILE A 40 3.521 0.321 -3.818 1.00 0.00 O ATOM 653 CB ILE A 40 4.888 -1.405 -1.365 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.899 -2.538 -1.181 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.045 -1.230 -0.110 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.528 -2.570 0.195 1.00 0.00 C ATOM 0 H ILE A 40 5.287 -1.370 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 40 3.303 -2.498 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 40 5.437 -0.480 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.403 -3.491 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.686 -2.437 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.697 -1.034 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.361 -0.392 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.472 -2.139 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.234 -3.399 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.053 -1.632 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.751 -2.702 0.947 1.00 0.00 H new ATOM 668 N ALA A 41 2.115 -0.205 -2.142 1.00 0.00 N ATOM 669 CA ALA A 41 1.263 0.960 -2.346 1.00 0.00 C ATOM 670 C ALA A 41 0.670 1.443 -1.027 1.00 0.00 C ATOM 671 O ALA A 41 -0.082 0.721 -0.371 1.00 0.00 O ATOM 672 CB ALA A 41 0.155 0.636 -3.337 1.00 0.00 C ATOM 0 H ALA A 41 1.821 -0.815 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 41 1.878 1.762 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.474 1.515 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.594 0.345 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.450 -0.184 -2.951 1.00 0.00 H new ATOM 678 N ILE A 42 1.013 2.668 -0.643 1.00 0.00 N ATOM 679 CA ILE A 42 0.515 3.248 0.598 1.00 0.00 C ATOM 680 C ILE A 42 -0.452 4.393 0.320 1.00 0.00 C ATOM 681 O ILE A 42 -0.206 5.229 -0.550 1.00 0.00 O ATOM 682 CB ILE A 42 1.667 3.767 1.479 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.587 2.615 1.884 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.117 4.472 2.710 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.537 2.967 3.008 1.00 0.00 C ATOM 0 H ILE A 42 1.634 3.278 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.009 2.454 1.130 1.00 0.00 H new ATOM 0 HB ILE A 42 2.249 4.486 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.978 1.764 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.165 2.300 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.943 4.833 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.499 5.315 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.514 3.774 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.159 2.103 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.172 3.798 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.966 3.253 3.891 1.00 0.00 H new ATOM 697 N ILE A 43 -1.553 4.426 1.063 1.00 0.00 N ATOM 698 CA ILE A 43 -2.558 5.469 0.897 1.00 0.00 C ATOM 699 C ILE A 43 -3.018 6.009 2.246 1.00 0.00 C ATOM 700 O ILE A 43 -3.424 5.249 3.125 1.00 0.00 O ATOM 701 CB ILE A 43 -3.783 4.950 0.119 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.364 3.860 -0.869 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.473 6.095 -0.607 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.530 3.095 -1.455 1.00 0.00 C ATOM 0 H ILE A 43 -1.772 3.741 1.787 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.089 6.272 0.328 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.489 4.518 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.794 4.315 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.698 3.160 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.336 5.713 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.802 6.840 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.776 6.554 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.158 2.339 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.087 2.611 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.186 3.783 -1.988 1.00 0.00 H new ATOM 716 N SER A 44 -2.953 7.327 2.403 1.00 0.00 N ATOM 717 CA SER A 44 -3.364 7.970 3.645 1.00 0.00 C ATOM 718 C SER A 44 -4.654 8.760 3.449 1.00 0.00 C ATOM 719 O SER A 44 -5.045 9.058 2.320 1.00 0.00 O ATOM 720 CB SER A 44 -2.258 8.896 4.155 1.00 0.00 C ATOM 721 OG SER A 44 -2.324 10.164 3.525 1.00 0.00 O ATOM 0 H SER A 44 -2.620 7.971 1.685 1.00 0.00 H new ATOM 0 HA SER A 44 -3.546 7.190 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.350 9.017 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.285 8.443 3.967 1.00 0.00 H new ATOM 0 HG SER A 44 -1.608 10.738 3.869 1.00 0.00 H new ATOM 727 N ILE A 45 -5.311 9.097 4.554 1.00 0.00 N ATOM 728 CA ILE A 45 -6.556 9.852 4.503 1.00 0.00 C ATOM 729 C ILE A 45 -6.846 10.526 5.839 1.00 0.00 C ATOM 730 O ILE A 45 -7.771 10.139 6.553 1.00 0.00 O ATOM 731 CB ILE A 45 -7.747 8.949 4.129 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.479 7.507 4.566 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.011 9.014 2.632 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.685 6.828 5.177 1.00 0.00 C ATOM 0 H ILE A 45 -5.001 8.859 5.496 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.431 10.614 3.734 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.634 9.308 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.145 6.930 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.663 7.500 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.855 8.371 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.241 10.041 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.126 8.677 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.423 5.810 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.006 7.382 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.496 6.803 4.449 1.00 0.00 H new ATOM 746 N LYS A 46 -6.049 11.536 6.172 1.00 0.00 N ATOM 747 CA LYS A 46 -6.220 12.265 7.423 1.00 0.00 C ATOM 748 C LYS A 46 -6.628 11.322 8.550 1.00 0.00 C ATOM 749 O LYS A 46 -7.391 11.696 9.441 1.00 0.00 O ATOM 750 CB LYS A 46 -7.270 13.365 7.258 1.00 0.00 C ATOM 751 CG LYS A 46 -7.105 14.516 8.236 1.00 0.00 C ATOM 752 CD LYS A 46 -8.263 14.583 9.219 1.00 0.00 C ATOM 753 CE LYS A 46 -9.230 15.701 8.865 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.530 15.557 9.576 1.00 0.00 N ATOM 0 H LYS A 46 -5.278 11.868 5.593 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.264 12.721 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.220 13.754 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.262 12.931 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.169 14.399 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.038 15.455 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.793 13.630 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.878 14.739 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.782 16.662 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.403 15.704 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.161 16.339 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.970 14.652 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.368 15.580 10.603 1.00 0.00 H new ATOM 768 N GLY A 47 -6.114 10.097 8.505 1.00 0.00 N ATOM 769 CA GLY A 47 -6.437 9.119 9.528 1.00 0.00 C ATOM 770 C GLY A 47 -5.740 9.405 10.843 1.00 0.00 C ATOM 771 O GLY A 47 -4.961 8.586 11.331 1.00 0.00 O ATOM 0 H GLY A 47 -5.480 9.764 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.515 9.106 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.155 8.126 9.179 1.00 0.00 H new ATOM 775 N THR A 48 -6.020 10.569 11.419 1.00 0.00 N ATOM 776 CA THR A 48 -5.414 10.961 12.686 1.00 0.00 C ATOM 777 C THR A 48 -3.967 11.399 12.486 1.00 0.00 C ATOM 778 O THR A 48 -3.588 12.511 12.854 1.00 0.00 O ATOM 779 CB THR A 48 -5.475 9.803 13.684 1.00 0.00 C ATOM 780 OG1 THR A 48 -6.597 8.977 13.426 1.00 0.00 O ATOM 781 CG2 THR A 48 -5.561 10.258 15.124 1.00 0.00 C ATOM 0 H THR A 48 -6.663 11.258 11.028 1.00 0.00 H new ATOM 0 HA THR A 48 -5.978 11.805 13.083 1.00 0.00 H new ATOM 0 HB THR A 48 -4.542 9.256 13.548 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.618 8.242 14.073 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.601 9.388 15.779 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.684 10.857 15.369 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.460 10.858 15.263 1.00 0.00 H new ATOM 789 N GLN A 49 -3.164 10.518 11.899 1.00 0.00 N ATOM 790 CA GLN A 49 -1.758 10.814 11.650 1.00 0.00 C ATOM 791 C GLN A 49 -1.022 9.577 11.145 1.00 0.00 C ATOM 792 O GLN A 49 -0.025 9.154 11.729 1.00 0.00 O ATOM 793 CB GLN A 49 -1.090 11.334 12.924 1.00 0.00 C ATOM 794 CG GLN A 49 -0.839 12.833 12.912 1.00 0.00 C ATOM 795 CD GLN A 49 -0.752 13.421 14.306 1.00 0.00 C ATOM 796 OE1 GLN A 49 -1.062 14.593 14.519 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.328 12.607 15.266 1.00 0.00 N ATOM 0 H GLN A 49 -3.462 9.594 11.587 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.707 11.585 10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.717 11.086 13.780 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.141 10.816 13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.088 13.038 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.640 13.327 12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.082 11.642 15.045 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.249 12.947 16.225 1.00 0.00 H new ATOM 806 N SER A 50 -1.522 9.001 10.056 1.00 0.00 N ATOM 807 CA SER A 50 -0.912 7.812 9.472 1.00 0.00 C ATOM 808 C SER A 50 -1.612 7.423 8.174 1.00 0.00 C ATOM 809 O SER A 50 -2.291 8.241 7.554 1.00 0.00 O ATOM 810 CB SER A 50 -0.966 6.647 10.462 1.00 0.00 C ATOM 811 OG SER A 50 0.328 6.119 10.700 1.00 0.00 O ATOM 0 H SER A 50 -2.347 9.338 9.561 1.00 0.00 H new ATOM 0 HA SER A 50 0.130 8.042 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.403 6.984 11.402 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.616 5.864 10.071 1.00 0.00 H new ATOM 0 HG SER A 50 0.266 5.377 11.337 1.00 0.00 H new ATOM 817 N ASN A 51 -1.440 6.170 7.768 1.00 0.00 N ATOM 818 CA ASN A 51 -2.056 5.672 6.543 1.00 0.00 C ATOM 819 C ASN A 51 -2.172 4.151 6.571 1.00 0.00 C ATOM 820 O ASN A 51 -2.036 3.528 7.624 1.00 0.00 O ATOM 821 CB ASN A 51 -1.241 6.110 5.324 1.00 0.00 C ATOM 822 CG ASN A 51 0.077 5.369 5.213 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.114 4.139 5.232 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.168 6.117 5.096 1.00 0.00 N ATOM 0 H ASN A 51 -0.879 5.481 8.269 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.059 6.093 6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.826 5.942 4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.048 7.181 5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.084 5.675 5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.090 7.134 5.085 1.00 0.00 H new ATOM 831 N HIS A 52 -2.426 3.560 5.408 1.00 0.00 N ATOM 832 CA HIS A 52 -2.560 2.112 5.300 1.00 0.00 C ATOM 833 C HIS A 52 -1.571 1.548 4.286 1.00 0.00 C ATOM 834 O HIS A 52 -1.713 1.757 3.082 1.00 0.00 O ATOM 835 CB HIS A 52 -3.989 1.741 4.897 1.00 0.00 C ATOM 836 CG HIS A 52 -4.991 2.815 5.187 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.212 3.316 6.453 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.834 3.485 4.367 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.148 4.247 6.398 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.541 4.369 5.144 1.00 0.00 N ATOM 0 H HIS A 52 -2.543 4.061 4.527 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.340 1.678 6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.010 1.514 3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.281 0.832 5.422 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.729 3.015 7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.932 3.349 3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.527 4.812 7.237 1.00 0.00 H new ATOM 849 N VAL A 53 -0.567 0.832 4.782 1.00 0.00 N ATOM 850 CA VAL A 53 0.447 0.237 3.920 1.00 0.00 C ATOM 851 C VAL A 53 0.035 -1.161 3.471 1.00 0.00 C ATOM 852 O VAL A 53 -0.098 -2.072 4.288 1.00 0.00 O ATOM 853 CB VAL A 53 1.811 0.154 4.630 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.771 -0.879 5.745 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.913 -0.170 3.632 1.00 0.00 C ATOM 0 H VAL A 53 -0.434 0.650 5.777 1.00 0.00 H new ATOM 0 HA VAL A 53 0.539 0.884 3.048 1.00 0.00 H new ATOM 0 HB VAL A 53 2.029 1.125 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.744 -0.923 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.010 -0.599 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.530 -1.856 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.870 -0.225 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.703 -1.128 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.957 0.610 2.872 1.00 0.00 H new ATOM 865 N LEU A 54 -0.166 -1.323 2.167 1.00 0.00 N ATOM 866 CA LEU A 54 -0.563 -2.610 1.609 1.00 0.00 C ATOM 867 C LEU A 54 0.570 -3.221 0.791 1.00 0.00 C ATOM 868 O LEU A 54 1.455 -2.513 0.312 1.00 0.00 O ATOM 869 CB LEU A 54 -1.809 -2.449 0.736 1.00 0.00 C ATOM 870 CG LEU A 54 -3.137 -2.456 1.495 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.304 -2.581 0.528 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.163 -3.587 2.512 1.00 0.00 C ATOM 0 H LEU A 54 -0.060 -0.579 1.477 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.792 -3.281 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.729 -1.513 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.825 -3.253 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.233 -1.511 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.240 -2.584 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.296 -1.738 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.213 -3.511 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.115 -3.577 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.044 -4.541 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.349 -3.454 3.225 1.00 0.00 H new ATOM 884 N PHE A 55 0.535 -4.541 0.635 1.00 0.00 N ATOM 885 CA PHE A 55 1.560 -5.247 -0.125 1.00 0.00 C ATOM 886 C PHE A 55 1.001 -5.753 -1.451 1.00 0.00 C ATOM 887 O PHE A 55 0.216 -6.701 -1.484 1.00 0.00 O ATOM 888 CB PHE A 55 2.112 -6.419 0.689 1.00 0.00 C ATOM 889 CG PHE A 55 3.375 -7.002 0.121 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.407 -6.177 -0.296 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.529 -8.374 0.005 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.570 -6.710 -0.818 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.689 -8.913 -0.517 1.00 0.00 C ATOM 894 CZ PHE A 55 5.711 -8.080 -0.929 1.00 0.00 C ATOM 0 H PHE A 55 -0.191 -5.142 1.024 1.00 0.00 H new ATOM 0 HA PHE A 55 2.369 -4.547 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.302 -6.085 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.354 -7.200 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.301 -5.105 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.733 -9.030 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.368 -6.057 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.797 -9.984 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.619 -8.499 -1.337 1.00 0.00 H new ATOM 904 N LEU A 56 1.410 -5.115 -2.542 1.00 0.00 N ATOM 905 CA LEU A 56 0.950 -5.500 -3.871 1.00 0.00 C ATOM 906 C LEU A 56 1.658 -6.765 -4.346 1.00 0.00 C ATOM 907 O LEU A 56 2.701 -6.698 -4.996 1.00 0.00 O ATOM 908 CB LEU A 56 1.190 -4.364 -4.867 1.00 0.00 C ATOM 909 CG LEU A 56 0.599 -3.012 -4.462 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.927 -1.953 -5.502 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.906 -3.126 -4.270 1.00 0.00 C ATOM 0 H LEU A 56 2.059 -4.329 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.119 -5.703 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.264 -4.246 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.771 -4.652 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 56 1.045 -2.710 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.498 -0.998 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.009 -1.853 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.509 -2.247 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.311 -2.156 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.368 -3.450 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.119 -3.854 -3.488 1.00 0.00 H new ATOM 923 N SER A 57 1.082 -7.918 -4.018 1.00 0.00 N ATOM 924 CA SER A 57 1.658 -9.199 -4.411 1.00 0.00 C ATOM 925 C SER A 57 1.786 -9.295 -5.928 1.00 0.00 C ATOM 926 O SER A 57 2.893 -9.320 -6.467 1.00 0.00 O ATOM 927 CB SER A 57 0.798 -10.350 -3.887 1.00 0.00 C ATOM 928 OG SER A 57 1.480 -11.079 -2.881 1.00 0.00 O ATOM 0 H SER A 57 0.218 -7.991 -3.481 1.00 0.00 H new ATOM 0 HA SER A 57 2.654 -9.271 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.136 -9.957 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.536 -11.016 -4.709 1.00 0.00 H new ATOM 0 HG SER A 57 0.909 -11.808 -2.561 1.00 0.00 H new ATOM 934 N SER A 58 0.648 -9.347 -6.611 1.00 0.00 N ATOM 935 CA SER A 58 0.633 -9.440 -8.066 1.00 0.00 C ATOM 936 C SER A 58 -0.426 -8.517 -8.660 1.00 0.00 C ATOM 937 O SER A 58 -1.625 -8.745 -8.496 1.00 0.00 O ATOM 938 CB SER A 58 0.371 -10.883 -8.503 1.00 0.00 C ATOM 939 OG SER A 58 1.437 -11.377 -9.296 1.00 0.00 O ATOM 0 H SER A 58 -0.276 -9.326 -6.180 1.00 0.00 H new ATOM 0 HA SER A 58 1.610 -9.127 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.244 -11.515 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.560 -10.932 -9.068 1.00 0.00 H new ATOM 0 HG SER A 58 1.247 -12.301 -9.561 1.00 0.00 H new ATOM 945 N TYR A 59 0.025 -7.474 -9.349 1.00 0.00 N ATOM 946 CA TYR A 59 -0.884 -6.515 -9.967 1.00 0.00 C ATOM 947 C TYR A 59 -0.853 -6.638 -11.487 1.00 0.00 C ATOM 948 O TYR A 59 0.187 -6.438 -12.115 1.00 0.00 O ATOM 949 CB TYR A 59 -0.515 -5.090 -9.551 1.00 0.00 C ATOM 950 CG TYR A 59 -1.706 -4.165 -9.435 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.441 -4.093 -8.259 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.094 -3.364 -10.502 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.530 -3.249 -8.149 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.181 -2.518 -10.400 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.896 -2.464 -9.222 1.00 0.00 C ATOM 956 OH TYR A 59 -4.979 -1.622 -9.117 1.00 0.00 O ATOM 0 H TYR A 59 1.014 -7.271 -9.494 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.894 -6.736 -9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.003 -5.123 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.185 -4.678 -10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.157 -4.706 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.537 -3.404 -11.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.091 -3.205 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.470 -1.902 -11.239 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.101 -1.139 -9.961 1.00 0.00 H new ATOM 966 N ASN A 60 -1.999 -6.969 -12.072 1.00 0.00 N ATOM 967 CA ASN A 60 -2.103 -7.118 -13.519 1.00 0.00 C ATOM 968 C ASN A 60 -2.587 -5.824 -14.166 1.00 0.00 C ATOM 969 O ASN A 60 -1.784 -4.979 -14.561 1.00 0.00 O ATOM 970 CB ASN A 60 -3.056 -8.263 -13.867 1.00 0.00 C ATOM 971 CG ASN A 60 -2.483 -9.621 -13.511 1.00 0.00 C ATOM 972 OD1 ASN A 60 -1.934 -9.810 -12.425 1.00 0.00 O ATOM 973 ND2 ASN A 60 -2.607 -10.575 -14.427 1.00 0.00 N ATOM 0 H ASN A 60 -2.869 -7.139 -11.567 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.111 -7.349 -13.908 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.999 -8.120 -13.339 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.280 -8.234 -14.933 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.240 -11.509 -14.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.070 -10.374 -15.314 1.00 0.00 H new ATOM 980 N SER A 61 -3.903 -5.678 -14.271 1.00 0.00 N ATOM 981 CA SER A 61 -4.494 -4.487 -14.870 1.00 0.00 C ATOM 982 C SER A 61 -5.986 -4.685 -15.119 1.00 0.00 C ATOM 983 O SER A 61 -6.453 -4.596 -16.254 1.00 0.00 O ATOM 984 CB SER A 61 -3.787 -4.147 -16.184 1.00 0.00 C ATOM 985 OG SER A 61 -3.016 -5.242 -16.647 1.00 0.00 O ATOM 0 H SER A 61 -4.581 -6.369 -13.949 1.00 0.00 H new ATOM 0 HA SER A 61 -4.367 -3.660 -14.172 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.526 -3.874 -16.938 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.143 -3.280 -16.040 1.00 0.00 H new ATOM 0 HG SER A 61 -2.091 -5.145 -16.338 1.00 0.00 H new ATOM 991 N VAL A 62 -6.728 -4.955 -14.050 1.00 0.00 N ATOM 992 CA VAL A 62 -8.166 -5.166 -14.152 1.00 0.00 C ATOM 993 C VAL A 62 -8.903 -4.508 -12.990 1.00 0.00 C ATOM 994 O VAL A 62 -8.460 -4.576 -11.844 1.00 0.00 O ATOM 995 CB VAL A 62 -8.514 -6.666 -14.180 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.629 -7.402 -15.174 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.383 -7.270 -12.790 1.00 0.00 C ATOM 0 H VAL A 62 -6.356 -5.033 -13.103 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.486 -4.708 -15.088 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.550 -6.774 -14.502 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.890 -8.460 -15.179 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.778 -6.987 -16.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.584 -7.287 -14.885 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.633 -8.330 -12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.359 -7.151 -12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.064 -6.762 -12.107 1.00 0.00 H new ATOM 1007 N ASP A 63 -10.028 -3.871 -13.295 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.826 -3.200 -12.275 1.00 0.00 C ATOM 1009 C ASP A 63 -10.825 -3.994 -10.973 1.00 0.00 C ATOM 1010 O ASP A 63 -10.765 -3.421 -9.885 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.262 -3.007 -12.767 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.455 -1.685 -13.484 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.486 -0.901 -13.555 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.576 -1.435 -13.976 1.00 0.00 O ATOM 0 H ASP A 63 -10.408 -3.805 -14.239 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.380 -2.224 -12.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.526 -3.824 -13.439 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.944 -3.060 -11.918 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.891 -5.316 -11.092 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.897 -6.188 -9.924 1.00 0.00 C ATOM 1021 C GLU A 64 -9.872 -5.725 -8.893 1.00 0.00 C ATOM 1022 O GLU A 64 -10.175 -5.625 -7.704 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.604 -7.632 -10.338 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.978 -8.656 -9.280 1.00 0.00 C ATOM 1025 CD GLU A 64 -11.221 -10.035 -9.862 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -12.158 -10.179 -10.675 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -10.473 -10.970 -9.507 1.00 0.00 O ATOM 0 H GLU A 64 -10.941 -5.806 -11.985 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.888 -6.140 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.148 -7.855 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.542 -7.728 -10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.181 -8.714 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.875 -8.323 -8.758 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.659 -5.444 -9.357 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.590 -4.991 -8.476 1.00 0.00 C ATOM 1036 C ILE A 65 -7.720 -3.502 -8.175 1.00 0.00 C ATOM 1037 O ILE A 65 -7.416 -3.053 -7.069 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.203 -5.259 -9.091 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.214 -4.941 -10.587 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.789 -6.703 -8.853 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.830 -4.803 -11.185 1.00 0.00 C ATOM 0 H ILE A 65 -8.392 -5.522 -10.338 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.684 -5.557 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.475 -4.608 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.752 -5.729 -11.114 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.765 -4.015 -10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.807 -6.877 -9.293 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.746 -6.897 -7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.517 -7.371 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.914 -4.578 -12.248 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.296 -3.996 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.282 -5.736 -11.054 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.173 -2.740 -9.165 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.343 -1.301 -9.006 1.00 0.00 C ATOM 1055 C ARG A 66 -9.384 -0.991 -7.934 1.00 0.00 C ATOM 1056 O ARG A 66 -9.180 -0.116 -7.092 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.758 -0.665 -10.334 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.465 0.824 -10.413 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.491 1.322 -11.849 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.026 2.677 -11.950 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.325 2.956 -11.971 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -11.217 1.977 -11.899 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.733 4.214 -12.064 1.00 0.00 N ATOM 0 H ARG A 66 -8.429 -3.096 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.388 -0.880 -8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.240 -1.172 -11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.825 -0.825 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.200 1.372 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.488 1.027 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.481 1.300 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.096 0.648 -12.455 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.366 3.452 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.906 1.008 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.214 2.193 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.049 4.969 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.730 4.427 -12.080 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.498 -1.714 -7.972 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.570 -1.517 -7.003 1.00 0.00 C ATOM 1079 C LYS A 67 -11.098 -1.852 -5.592 1.00 0.00 C ATOM 1080 O LYS A 67 -11.328 -1.090 -4.653 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.779 -2.381 -7.367 1.00 0.00 C ATOM 1082 CG LYS A 67 -14.014 -1.574 -7.735 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.019 -2.416 -8.505 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.420 -1.831 -8.414 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.451 -2.888 -8.220 1.00 0.00 N ATOM 0 H LYS A 67 -10.682 -2.441 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.860 -0.467 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.515 -3.027 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.017 -3.031 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.480 -1.186 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.722 -0.713 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.717 -2.480 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.021 -3.432 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.465 -1.123 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.640 -1.272 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.392 -2.449 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.426 -3.549 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.256 -3.405 -7.339 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.435 -2.995 -5.451 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.930 -3.430 -4.155 1.00 0.00 C ATOM 1101 C GLU A 68 -9.182 -2.300 -3.454 1.00 0.00 C ATOM 1102 O GLU A 68 -9.546 -1.892 -2.351 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.008 -4.640 -4.323 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.976 -5.554 -3.109 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.037 -7.022 -3.484 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -7.968 -7.613 -3.746 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.154 -7.580 -3.516 1.00 0.00 O ATOM 0 H GLU A 68 -10.235 -3.636 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.783 -3.714 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.331 -5.214 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.997 -4.290 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.065 -5.365 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.815 -5.314 -2.456 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.136 -1.799 -4.102 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.337 -0.715 -3.542 1.00 0.00 C ATOM 1116 C LEU A 69 -8.221 0.463 -3.144 1.00 0.00 C ATOM 1117 O LEU A 69 -8.428 0.723 -1.959 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.281 -0.258 -4.550 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.893 -0.002 -3.961 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.328 -1.276 -3.352 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.955 0.542 -5.029 1.00 0.00 C ATOM 0 H LEU A 69 -7.822 -2.126 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.838 -1.089 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.194 -1.014 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.630 0.657 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.985 0.743 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.340 -1.074 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.990 -1.625 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.249 -2.043 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.972 0.719 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.868 -0.181 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.353 1.479 -5.420 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.739 1.171 -4.142 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.600 2.321 -3.897 1.00 0.00 C ATOM 1135 C GLU A 70 -10.522 2.067 -2.708 1.00 0.00 C ATOM 1136 O GLU A 70 -10.899 2.995 -1.993 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.431 2.638 -5.142 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.443 4.114 -5.505 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.912 4.361 -6.925 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.074 4.287 -7.849 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -12.118 4.629 -7.115 1.00 0.00 O ATOM 0 H GLU A 70 -8.577 0.968 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.964 3.176 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.040 2.068 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.456 2.304 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.093 4.649 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.440 4.523 -5.381 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.881 0.804 -2.504 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.759 0.427 -1.402 1.00 0.00 C ATOM 1150 C GLU A 71 -11.055 0.607 -0.061 1.00 0.00 C ATOM 1151 O GLU A 71 -11.630 1.144 0.886 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.217 -1.024 -1.560 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.690 -1.162 -1.906 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.063 -2.574 -2.314 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -14.290 -3.411 -1.416 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.128 -2.843 -3.532 1.00 0.00 O ATOM 0 H GLU A 71 -10.578 0.024 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.631 1.080 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.623 -1.501 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.018 -1.562 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.291 -0.865 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.935 -0.477 -2.717 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.808 0.153 0.013 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.026 0.264 1.239 1.00 0.00 C ATOM 1165 C ALA A 72 -8.293 1.600 1.303 1.00 0.00 C ATOM 1166 O ALA A 72 -7.423 1.801 2.150 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.038 -0.888 1.339 1.00 0.00 C ATOM 0 H ALA A 72 -9.318 -0.295 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.712 0.215 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.461 -0.793 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.581 -1.833 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.364 -0.864 0.483 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.652 2.510 0.403 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.018 3.815 0.375 1.00 0.00 C ATOM 1175 C GLY A 73 -8.840 4.874 1.083 1.00 0.00 C ATOM 1176 O GLY A 73 -8.351 5.542 1.994 1.00 0.00 O ATOM 0 H GLY A 73 -9.370 2.367 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.036 3.749 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.858 4.116 -0.660 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.091 5.027 0.663 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.983 6.013 1.263 1.00 0.00 C ATOM 1182 C ALA A 74 -12.411 5.485 1.341 1.00 0.00 C ATOM 1183 O ALA A 74 -13.350 6.240 1.593 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.941 7.312 0.472 1.00 0.00 C ATOM 0 H ALA A 74 -10.510 4.481 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.639 6.208 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.611 8.039 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.924 7.705 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.257 7.124 -0.554 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.568 4.183 1.123 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.883 3.554 1.169 1.00 0.00 C ATOM 1192 C LYS A 75 -14.114 2.873 2.514 1.00 0.00 C ATOM 1193 O LYS A 75 -13.527 3.259 3.525 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.023 2.533 0.038 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.339 2.636 -0.714 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.983 1.271 -0.898 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.087 0.898 -2.368 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.418 1.248 -2.938 1.00 0.00 N ATOM 0 H LYS A 75 -11.802 3.544 0.913 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.635 4.333 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.201 2.667 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.928 1.529 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.020 3.291 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.168 3.093 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.398 0.517 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.977 1.273 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.306 1.411 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.912 -0.172 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.448 0.978 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.162 0.739 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.574 2.272 -2.851 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.972 1.858 2.519 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.280 1.124 3.740 1.00 0.00 C ATOM 1214 C ILE A 76 -14.046 0.991 4.627 1.00 0.00 C ATOM 1215 O ILE A 76 -12.939 0.768 4.138 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.827 -0.282 3.428 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.086 -0.183 2.565 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -16.118 -1.035 4.717 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.746 -1.520 2.304 1.00 0.00 C ATOM 0 H ILE A 76 -15.466 1.525 1.691 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.045 1.694 4.267 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.071 -0.835 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.802 0.477 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.828 0.278 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.504 -2.027 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.200 -1.132 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.859 -0.487 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.632 -1.374 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.047 -2.176 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -18.035 -1.974 3.252 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.246 1.128 5.934 1.00 0.00 N ATOM 1232 CA ASN A 77 -13.150 1.023 6.890 1.00 0.00 C ATOM 1233 C ASN A 77 -13.064 -0.386 7.467 1.00 0.00 C ATOM 1234 O ASN A 77 -14.079 -0.983 7.829 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.331 2.039 8.019 1.00 0.00 C ATOM 1236 CG ASN A 77 -14.737 2.027 8.587 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -15.541 1.152 8.267 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.040 3.001 9.437 1.00 0.00 N ATOM 0 H ASN A 77 -15.157 1.312 6.355 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.220 1.238 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.618 1.824 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.101 3.037 7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.970 3.044 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.342 3.706 9.674 1.00 0.00 H new ATOM 1245 N HIS A 78 -11.847 -0.913 7.550 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.629 -2.253 8.083 1.00 0.00 C ATOM 1247 C HIS A 78 -11.313 -2.200 9.575 1.00 0.00 C ATOM 1248 O HIS A 78 -10.532 -1.361 10.024 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.489 -2.944 7.333 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.182 -2.322 6.006 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -9.362 -1.223 5.861 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -10.591 -2.651 4.758 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -9.280 -0.903 4.582 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -10.016 -1.754 3.892 1.00 0.00 N ATOM 0 H HIS A 78 -10.997 -0.433 7.255 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.546 -2.826 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -9.592 -2.922 7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.747 -3.992 7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -11.247 -3.467 4.493 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.708 -0.084 4.171 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -10.138 -1.747 2.879 1.00 0.00 H new ATOM 1263 N THR A 79 -11.925 -3.101 10.336 1.00 0.00 N ATOM 1264 CA THR A 79 -11.709 -3.156 11.777 1.00 0.00 C ATOM 1265 C THR A 79 -11.489 -4.593 12.241 1.00 0.00 C ATOM 1266 O THR A 79 -11.514 -4.880 13.438 1.00 0.00 O ATOM 1267 CB THR A 79 -12.900 -2.546 12.517 1.00 0.00 C ATOM 1268 OG1 THR A 79 -12.698 -2.592 13.918 1.00 0.00 O ATOM 1269 CG2 THR A 79 -14.210 -3.244 12.219 1.00 0.00 C ATOM 0 H THR A 79 -12.574 -3.802 9.979 1.00 0.00 H new ATOM 0 HA THR A 79 -10.814 -2.578 12.006 1.00 0.00 H new ATOM 0 HB THR A 79 -12.965 -1.518 12.162 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.308 -3.457 14.164 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.014 -2.762 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.420 -3.183 11.151 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.140 -4.291 12.515 1.00 0.00 H new ATOM 1277 N THR A 80 -11.275 -5.492 11.285 1.00 0.00 N ATOM 1278 CA THR A 80 -11.051 -6.899 11.597 1.00 0.00 C ATOM 1279 C THR A 80 -10.003 -7.503 10.668 1.00 0.00 C ATOM 1280 O THR A 80 -9.830 -8.721 10.619 1.00 0.00 O ATOM 1281 CB THR A 80 -12.360 -7.682 11.484 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.142 -9.061 11.726 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.020 -7.553 10.128 1.00 0.00 C ATOM 0 H THR A 80 -11.252 -5.271 10.289 1.00 0.00 H new ATOM 0 HA THR A 80 -10.683 -6.964 12.621 1.00 0.00 H new ATOM 0 HB THR A 80 -13.021 -7.249 12.234 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.198 -9.274 11.574 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.943 -8.133 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.247 -6.505 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.346 -7.928 9.358 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.304 -6.644 9.933 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.272 -7.094 9.006 1.00 0.00 C ATOM 1293 C LEU A 81 -8.689 -8.387 8.313 1.00 0.00 C ATOM 1294 O LEU A 81 -7.847 -9.210 7.954 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.949 -7.301 9.745 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.338 -6.034 10.346 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -6.461 -6.050 11.862 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -4.881 -5.897 9.929 1.00 0.00 C ATOM 0 H LEU A 81 -9.433 -5.633 9.961 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.139 -6.323 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.106 -8.025 10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.229 -7.741 9.054 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.887 -5.172 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.021 -5.141 12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.513 -6.102 12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.937 -6.919 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.461 -4.990 10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.319 -6.762 10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.817 -5.840 8.842 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.994 -8.559 8.128 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.522 -9.753 7.478 1.00 0.00 C ATOM 1312 C LYS A 82 -9.992 -9.876 6.054 1.00 0.00 C ATOM 1313 O LYS A 82 -9.513 -10.935 5.648 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.052 -9.717 7.464 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.690 -10.577 8.543 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.005 -11.972 8.029 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.341 -12.470 8.554 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.293 -13.913 8.919 1.00 0.00 N ATOM 0 H LYS A 82 -10.705 -7.887 8.419 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.191 -10.622 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.384 -8.686 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.406 -10.050 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.019 -10.646 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.606 -10.102 8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.021 -11.964 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.215 -12.659 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.629 -11.884 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.110 -12.313 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.224 -14.213 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.044 -14.475 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.578 -14.060 9.660 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.079 -8.786 5.299 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.607 -8.773 3.920 1.00 0.00 C ATOM 1334 C ILE A 83 -8.210 -9.373 3.814 1.00 0.00 C ATOM 1335 O ILE A 83 -7.946 -10.209 2.950 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.584 -7.343 3.346 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -8.714 -6.434 4.217 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -10.997 -6.791 3.241 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -8.818 -4.969 3.853 1.00 0.00 C ATOM 0 H ILE A 83 -10.472 -7.901 5.619 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.305 -9.377 3.341 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.153 -7.376 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.000 -6.562 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.674 -6.749 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -10.964 -5.780 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.588 -7.428 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.453 -6.769 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.175 -4.384 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.503 -4.828 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.850 -4.638 3.967 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.318 -8.943 4.701 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.948 -9.441 4.707 1.00 0.00 C ATOM 1353 C LEU A 84 -5.922 -10.949 4.927 1.00 0.00 C ATOM 1354 O LEU A 84 -5.049 -11.647 4.409 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.133 -8.740 5.797 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.250 -7.592 5.307 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.974 -6.262 5.452 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -2.934 -7.571 6.069 1.00 0.00 C ATOM 0 H LEU A 84 -7.519 -8.252 5.424 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.503 -9.225 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.819 -8.354 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.501 -9.479 6.289 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.033 -7.750 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.330 -5.457 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.890 -6.280 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.221 -6.095 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.317 -6.748 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.131 -7.437 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.408 -8.513 5.914 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.885 -11.447 5.696 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.974 -12.873 5.982 1.00 0.00 C ATOM 1372 C GLU A 85 -7.537 -13.632 4.785 1.00 0.00 C ATOM 1373 O GLU A 85 -7.332 -14.838 4.649 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.851 -13.115 7.212 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.412 -14.307 8.047 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.027 -13.918 9.461 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -6.278 -12.932 9.623 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.476 -14.600 10.407 1.00 0.00 O ATOM 0 H GLU A 85 -7.615 -10.883 6.132 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.968 -13.241 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.842 -12.221 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.881 -13.268 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.219 -15.038 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.564 -14.792 7.564 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.247 -12.916 3.918 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.828 -13.538 2.743 1.00 0.00 C ATOM 1387 C GLY A 86 -7.973 -13.350 1.505 1.00 0.00 C ATOM 1388 O GLY A 86 -8.115 -14.083 0.527 1.00 0.00 O ATOM 0 H GLY A 86 -8.430 -11.917 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.963 -14.603 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.818 -13.117 2.565 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.083 -12.364 1.548 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.201 -12.081 0.421 1.00 0.00 C ATOM 1394 C HIS A 87 -4.913 -11.414 0.891 1.00 0.00 C ATOM 1395 O HIS A 87 -4.420 -10.479 0.261 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.911 -11.185 -0.596 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.891 -9.733 -0.231 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -5.947 -8.849 -0.708 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -7.710 -9.010 0.571 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.183 -7.646 -0.215 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -7.248 -7.717 0.563 1.00 0.00 N ATOM 0 H HIS A 87 -6.953 -11.748 2.350 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.945 -13.028 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.441 -11.313 -1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.946 -11.512 -0.696 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.185 -9.087 -1.343 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -8.566 -9.381 1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.604 -6.756 -0.414 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.372 -11.902 2.003 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.141 -11.354 2.559 1.00 0.00 C ATOM 1412 C LEU A 88 -2.609 -12.239 3.681 1.00 0.00 C ATOM 1413 O LEU A 88 -2.512 -11.748 4.826 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.380 -9.936 3.082 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.149 -9.029 3.079 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.887 -9.841 3.324 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.050 -8.270 1.765 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.294 -13.416 3.406 1.00 0.00 O ATOM 0 H LEU A 88 -4.767 -12.676 2.537 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.396 -11.320 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.158 -9.469 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.762 -10.000 4.101 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.253 -8.305 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.021 -9.179 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.957 -10.339 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.777 -10.588 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.168 -7.629 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.969 -8.979 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.941 -7.657 1.631 1.00 0.00 H new TER 1430 LEU A 88 END