USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) HEADER ISOMERASE 25-JUL-01 1JNT TITLE NMR STRUCTURE OF THE E. COLI PEPTIDYL-PROLYL CIS/TRANS- TITLE 2 ISOMERASE PARVULIN 10 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PARVULIN, PPIASE C, ROTAMASE C; COMPND 5 EC: 5.2.1.8; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: PARA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: M15[PREP4]; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSEP612 KEYWDS ALPHA-BETA SANDWICH, CIS PEPTIDE BOND, ISOMERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR A.KUEHLEWEIN,G.VOLL,B.SCHELBERT,H.KESSLER,G.FISCHER, AUTHOR 2 J.U.RAHFELD,G.GEMMECKER REVDAT 3 24-FEB-09 1JNT 1 VERSN REVDAT 2 05-APR-05 1JNT 1 JRNL REVDAT 1 17-JUN-03 1JNT 0 JRNL AUTH A.KUEHLEWEIN,G.VOLL,B.H.ALVAREZ,H.KESSLER, JRNL AUTH 2 G.FISCHER,J.U.RAHFELD,G.GEMMECKER JRNL TITL SOLUTION STRUCTURE OF ESCHERICHIA COLI PAR10: THE JRNL TITL 2 PROTOTYPIC MEMBER OF THE PARVULIN FAMILY OF JRNL TITL 3 PEPTIDYL-PROLYL CIS/TRANS ISOMERASES. JRNL REF PROTEIN SCI. V. 13 2378 2004 JRNL REFN ISSN 0961-8368 JRNL PMID 15322281 JRNL DOI 10.1110/PS.04756704 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 1097 NOE REMARK 3 -DERIVED DISTANCE CONSTRAINTS, 68 DIHEDRAL RESTRAINTS FOR CSI- REMARK 3 DERIVED HELICAL REGIONS, 42 3J(HN,HA) RESTRAINTS, 30 DISTANCE REMARK 3 CONSTRAINTS FOR HYDROGEN BONDS BASED ON CSI AND MEXICO DATA. REMARK 4 REMARK 4 1JNT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-AUG-01. REMARK 100 THE RCSB ID CODE IS RCSB013983. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 297.6 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 100 MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.8 MM [U-15N] PARVULIN 10, REMARK 210 10 MM PHOSPHATE BUFFER, PH REMARK 210 6.0, 100 MM KCL, 1 MM EDTA, 1 REMARK 210 MM DTE; 0.8 MM [U-13C, 15N] REMARK 210 PARVULIN 10, 10 MM PHOSPHATE REMARK 210 BUFFER, PH 6.0, 100 MM KCL, 1 REMARK 210 MM EDTA, 1 MM DTE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNHA, 3D_15N-SEPARATED_NOESY, REMARK 210 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 13C/13C-SEPARATED_NOESY, 3D_ REMARK 210 13C/15N-SEPARATED_NOESY, 2D_ REMARK 210 MEXICO REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, TRIAD 6.6, ARIA REMARK 210 0.53, CNS 0.5, X-PLOR 3.851 REMARK 210 METHOD USED : THE AVERAGED STRUCTURE OF THE REMARK 210 ENSEMBLE (1JNS) WAS REMARK 210 REGULARIZED UNDER EXPERIMENTAL REMARK 210 CONSTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 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 28 96.61 89.77 REMARK 500 ASP A 29 83.04 -178.05 REMARK 500 ILE A 39 29.60 37.60 REMARK 500 ASP A 48 78.01 -170.38 REMARK 500 GLN A 56 -61.96 -132.92 REMARK 500 MET A 57 -66.03 -106.16 REMARK 500 ALA A 60 -29.64 -35.53 REMARK 500 SER A 67 -70.54 -94.76 REMARK 500 VAL A 70 170.56 -57.13 REMARK 500 GLU A 72 93.48 -163.47 REMARK 500 TYR A 90 -86.73 32.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JNS RELATED DB: PDB REMARK 900 SAME PROTEIN, ENSEMBLE OF 18 STRUCTURES DBREF 1JNT A 1 92 UNP P0A9L5 PPIC_ECOLI 1 92 SEQRES 1 A 92 ALA LYS THR ALA ALA ALA LEU HIS ILE LEU VAL LYS GLU SEQRES 2 A 92 GLU LYS LEU ALA LEU ASP LEU LEU GLU GLN ILE LYS ASN SEQRES 3 A 92 GLY ALA ASP PHE GLY LYS LEU ALA LYS LYS HIS SER ILE SEQRES 4 A 92 CYS PRO SER GLY LYS ARG GLY GLY ASP LEU GLY GLU PHE SEQRES 5 A 92 ARG GLN GLY GLN MET VAL PRO ALA PHE ASP LYS VAL VAL SEQRES 6 A 92 PHE SER CYS PRO VAL LEU GLU PRO THR GLY PRO LEU HIS SEQRES 7 A 92 THR GLN PHE GLY TYR HIS ILE ILE LYS VAL LEU TYR ARG SEQRES 8 A 92 ASN HELIX 1 1 GLU A 14 GLY A 27 1 14 HELIX 2 2 PHE A 30 LYS A 36 1 7 HELIX 3 3 GLY A 43 GLY A 47 5 5 HELIX 4 4 ALA A 60 SER A 67 1 8 SHEET 1 A 4 GLY A 50 ARG A 53 0 SHEET 2 A 4 THR A 3 VAL A 11 -1 N ALA A 4 O PHE A 52 SHEET 3 A 4 GLY A 82 LEU A 89 -1 N TYR A 83 O VAL A 11 SHEET 4 A 4 THR A 74 THR A 79 -1 O THR A 74 N ILE A 86 CISPEP 1 GLY A 75 PRO A 76 0 -1.45 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 79 THR OG1 : rot -141:sc= 0.585 USER MOD Set 1.2: A 84 HIS :FLIP no HE2:sc= -9.64! C(o=-11!,f=-9.1!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 CYS SG : rot -170:sc= 0.861 USER MOD Set 2.3: A 74 THR OG1 : rot -115:sc= -0.573 USER MOD Set 3.1: A 38 SER OG : rot -70:sc= -1.59! USER MOD Set 3.2: A 40 CYS SG : rot -109:sc= 0.209! USER MOD Set 3.3: A 42 SER OG : rot 61:sc= 0.634 USER MOD Set 4.1: A 8 HIS : no HE2:sc= -14.1! C(o=-14!,f=-21!) USER MOD Set 4.2: A 57 MET CE :methyl 144:sc= -0.176 (180deg=-0.818) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.12 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5.2!) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.022) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc=-0.00476 (180deg=-0.717) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.094 (180deg=-1.03) USER MOD Single : A 54 GLN : amide:sc=-0.00417 K(o=-0.0042,f=-0.88) USER MOD Single : A 56 GLN : amide:sc= -2.41 K(o=-2.4,f=-6.1!) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.282 (180deg=-1.68!) USER MOD Single : A 78 HIS :FLIP no HE2:sc= -0.491 F(o=-1.4,f=-0.49) USER MOD Single : A 80 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.9!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.89 F(o=-5.7!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.954 -0.708 -4.317 1.00 3.38 N ATOM 2 CA ALA A 1 -16.772 -1.688 -3.544 1.00 2.62 C ATOM 3 C ALA A 1 -17.141 -1.105 -2.177 1.00 2.39 C ATOM 4 O ALA A 1 -16.723 -0.020 -1.821 1.00 2.47 O ATOM 5 CB ALA A 1 -15.873 -2.913 -3.380 1.00 2.27 C ATOM 0 H1 ALA A 1 -16.496 -0.377 -5.141 1.00 3.38 H new ATOM 0 H2 ALA A 1 -15.718 0.103 -3.710 1.00 3.38 H new ATOM 0 H3 ALA A 1 -15.078 -1.166 -4.640 1.00 3.38 H new ATOM 0 HA ALA A 1 -17.707 -1.934 -4.047 1.00 2.62 H new ATOM 0 HB1 ALA A 1 -16.405 -3.682 -2.819 1.00 2.27 H new ATOM 0 HB2 ALA A 1 -15.604 -3.301 -4.362 1.00 2.27 H new ATOM 0 HB3 ALA A 1 -14.969 -2.631 -2.841 1.00 2.27 H new ATOM 13 N LYS A 2 -17.913 -1.819 -1.402 1.00 2.29 N ATOM 14 CA LYS A 2 -18.295 -1.302 -0.055 1.00 2.17 C ATOM 15 C LYS A 2 -17.045 -1.076 0.785 1.00 1.76 C ATOM 16 O LYS A 2 -16.772 0.012 1.250 1.00 2.06 O ATOM 17 CB LYS A 2 -19.127 -2.421 0.569 1.00 2.30 C ATOM 18 CG LYS A 2 -20.415 -2.600 -0.221 1.00 2.73 C ATOM 19 CD LYS A 2 -21.245 -3.722 0.408 1.00 3.25 C ATOM 20 CE LYS A 2 -22.541 -3.905 -0.382 1.00 4.05 C ATOM 21 NZ LYS A 2 -23.095 -5.204 0.095 1.00 4.64 N ATOM 0 H LYS A 2 -18.294 -2.734 -1.642 1.00 2.29 H new ATOM 0 HA LYS A 2 -18.835 -0.357 -0.113 1.00 2.17 H new ATOM 0 HB2 LYS A 2 -18.559 -3.351 0.573 1.00 2.30 H new ATOM 0 HB3 LYS A 2 -19.356 -2.182 1.608 1.00 2.30 H new ATOM 0 HG2 LYS A 2 -20.984 -1.670 -0.226 1.00 2.73 H new ATOM 0 HG3 LYS A 2 -20.187 -2.839 -1.260 1.00 2.73 H new ATOM 0 HD2 LYS A 2 -20.675 -4.651 0.412 1.00 3.25 H new ATOM 0 HD3 LYS A 2 -21.471 -3.482 1.447 1.00 3.25 H new ATOM 0 HE2 LYS A 2 -23.236 -3.086 -0.197 1.00 4.05 H new ATOM 0 HE3 LYS A 2 -22.351 -3.926 -1.455 1.00 4.05 H new ATOM 0 HZ1 LYS A 2 -23.988 -5.403 -0.400 1.00 4.64 H new ATOM 0 HZ2 LYS A 2 -22.413 -5.965 -0.100 1.00 4.64 H new ATOM 0 HZ3 LYS A 2 -23.271 -5.151 1.119 1.00 4.64 H new ATOM 35 N THR A 3 -16.270 -2.103 0.941 1.00 1.37 N ATOM 36 CA THR A 3 -14.999 -1.982 1.709 1.00 1.01 C ATOM 37 C THR A 3 -13.941 -2.903 1.100 1.00 0.83 C ATOM 38 O THR A 3 -14.261 -3.861 0.426 1.00 0.97 O ATOM 39 CB THR A 3 -15.351 -2.431 3.127 1.00 1.14 C ATOM 40 OG1 THR A 3 -15.527 -3.840 3.144 1.00 1.69 O ATOM 41 CG2 THR A 3 -16.646 -1.750 3.572 1.00 1.48 C ATOM 0 H THR A 3 -16.460 -3.033 0.567 1.00 1.37 H new ATOM 0 HA THR A 3 -14.594 -0.970 1.694 1.00 1.01 H new ATOM 0 HB THR A 3 -14.545 -2.155 3.807 1.00 1.14 H new ATOM 0 HG1 THR A 3 -15.751 -4.131 4.053 1.00 1.69 H new ATOM 0 HG21 THR A 3 -16.897 -2.070 4.583 1.00 1.48 H new ATOM 0 HG22 THR A 3 -16.512 -0.668 3.557 1.00 1.48 H new ATOM 0 HG23 THR A 3 -17.454 -2.025 2.894 1.00 1.48 H new ATOM 49 N ALA A 4 -12.686 -2.625 1.320 1.00 0.64 N ATOM 50 CA ALA A 4 -11.628 -3.494 0.734 1.00 0.54 C ATOM 51 C ALA A 4 -10.628 -3.914 1.807 1.00 0.49 C ATOM 52 O ALA A 4 -10.328 -3.165 2.716 1.00 0.50 O ATOM 53 CB ALA A 4 -10.947 -2.630 -0.328 1.00 0.62 C ATOM 0 H ALA A 4 -12.349 -1.839 1.876 1.00 0.64 H new ATOM 0 HA ALA A 4 -12.038 -4.411 0.311 1.00 0.54 H new ATOM 0 HB1 ALA A 4 -10.152 -3.202 -0.807 1.00 0.62 H new ATOM 0 HB2 ALA A 4 -11.680 -2.329 -1.077 1.00 0.62 H new ATOM 0 HB3 ALA A 4 -10.523 -1.743 0.142 1.00 0.62 H new ATOM 59 N ALA A 5 -10.041 -5.071 1.656 1.00 0.46 N ATOM 60 CA ALA A 5 -8.978 -5.495 2.609 1.00 0.45 C ATOM 61 C ALA A 5 -7.613 -5.145 2.021 1.00 0.42 C ATOM 62 O ALA A 5 -7.351 -5.415 0.870 1.00 0.46 O ATOM 63 CB ALA A 5 -9.138 -7.009 2.740 1.00 0.50 C ATOM 0 H ALA A 5 -10.252 -5.739 0.915 1.00 0.46 H new ATOM 0 HA ALA A 5 -9.056 -5.003 3.578 1.00 0.45 H new ATOM 0 HB1 ALA A 5 -8.387 -7.396 3.429 1.00 0.50 H new ATOM 0 HB2 ALA A 5 -10.133 -7.238 3.122 1.00 0.50 H new ATOM 0 HB3 ALA A 5 -9.009 -7.474 1.763 1.00 0.50 H new ATOM 69 N ALA A 6 -6.841 -4.353 2.707 1.00 0.37 N ATOM 70 CA ALA A 6 -5.632 -3.789 2.045 1.00 0.37 C ATOM 71 C ALA A 6 -4.400 -3.870 2.947 1.00 0.37 C ATOM 72 O ALA A 6 -4.397 -3.373 4.055 1.00 0.43 O ATOM 73 CB ALA A 6 -5.989 -2.331 1.764 1.00 0.44 C ATOM 0 H ALA A 6 -6.988 -4.075 3.677 1.00 0.37 H new ATOM 0 HA ALA A 6 -5.377 -4.344 1.142 1.00 0.37 H new ATOM 0 HB1 ALA A 6 -5.149 -1.839 1.274 1.00 0.44 H new ATOM 0 HB2 ALA A 6 -6.863 -2.289 1.114 1.00 0.44 H new ATOM 0 HB3 ALA A 6 -6.210 -1.823 2.703 1.00 0.44 H new ATOM 79 N LEU A 7 -3.293 -4.260 2.377 1.00 0.35 N ATOM 80 CA LEU A 7 -1.992 -4.098 3.087 1.00 0.37 C ATOM 81 C LEU A 7 -1.296 -2.845 2.550 1.00 0.34 C ATOM 82 O LEU A 7 -1.387 -2.541 1.378 1.00 0.34 O ATOM 83 CB LEU A 7 -1.188 -5.353 2.739 1.00 0.43 C ATOM 84 CG LEU A 7 -1.972 -6.598 3.158 1.00 0.58 C ATOM 85 CD1 LEU A 7 -1.163 -7.850 2.808 1.00 1.18 C ATOM 86 CD2 LEU A 7 -2.229 -6.560 4.665 1.00 0.90 C ATOM 0 H LEU A 7 -3.233 -4.684 1.451 1.00 0.35 H new ATOM 0 HA LEU A 7 -2.102 -3.985 4.166 1.00 0.37 H new ATOM 0 HB2 LEU A 7 -0.985 -5.382 1.668 1.00 0.43 H new ATOM 0 HB3 LEU A 7 -0.223 -5.331 3.246 1.00 0.43 H new ATOM 0 HG LEU A 7 -2.925 -6.621 2.630 1.00 0.58 H new ATOM 0 HD11 LEU A 7 -1.720 -8.738 3.106 1.00 1.18 H new ATOM 0 HD12 LEU A 7 -0.983 -7.878 1.733 1.00 1.18 H new ATOM 0 HD13 LEU A 7 -0.209 -7.826 3.335 1.00 1.18 H new ATOM 0 HD21 LEU A 7 -2.788 -7.448 4.961 1.00 0.90 H new ATOM 0 HD22 LEU A 7 -1.277 -6.536 5.196 1.00 0.90 H new ATOM 0 HD23 LEU A 7 -2.805 -5.669 4.913 1.00 0.90 H new ATOM 98 N HIS A 8 -0.676 -2.065 3.392 1.00 0.37 N ATOM 99 CA HIS A 8 -0.080 -0.788 2.887 1.00 0.39 C ATOM 100 C HIS A 8 1.334 -0.575 3.428 1.00 0.36 C ATOM 101 O HIS A 8 1.548 -0.516 4.622 1.00 0.50 O ATOM 102 CB HIS A 8 -1.001 0.334 3.380 1.00 0.48 C ATOM 103 CG HIS A 8 -2.315 0.276 2.655 1.00 0.49 C ATOM 104 ND1 HIS A 8 -2.722 1.280 1.790 1.00 1.01 N ATOM 105 CD2 HIS A 8 -3.329 -0.649 2.659 1.00 1.08 C ATOM 106 CE1 HIS A 8 -3.932 0.940 1.314 1.00 1.22 C ATOM 107 NE2 HIS A 8 -4.349 -0.228 1.811 1.00 1.28 N ATOM 0 H HIS A 8 -0.555 -2.247 4.388 1.00 0.37 H new ATOM 0 HA HIS A 8 -0.001 -0.807 1.800 1.00 0.39 H new ATOM 0 HB2 HIS A 8 -1.164 0.237 4.453 1.00 0.48 H new ATOM 0 HB3 HIS A 8 -0.528 1.302 3.216 1.00 0.48 H new ATOM 0 HD1 HIS A 8 -2.198 2.124 1.557 1.00 1.01 H new ATOM 0 HD2 HIS A 8 -3.334 -1.564 3.233 1.00 1.08 H new ATOM 0 HE1 HIS A 8 -4.498 1.538 0.615 1.00 1.22 H new ATOM 115 N ILE A 9 2.236 -0.203 2.562 1.00 0.27 N ATOM 116 CA ILE A 9 3.554 0.304 3.038 1.00 0.27 C ATOM 117 C ILE A 9 3.763 1.737 2.544 1.00 0.27 C ATOM 118 O ILE A 9 3.708 2.008 1.360 1.00 0.26 O ATOM 119 CB ILE A 9 4.601 -0.625 2.426 1.00 0.29 C ATOM 120 CG1 ILE A 9 4.357 -2.059 2.898 1.00 0.32 C ATOM 121 CG2 ILE A 9 5.997 -0.170 2.858 1.00 0.32 C ATOM 122 CD1 ILE A 9 5.345 -2.997 2.202 1.00 0.35 C ATOM 0 H ILE A 9 2.118 -0.228 1.549 1.00 0.27 H new ATOM 0 HA ILE A 9 3.619 0.316 4.126 1.00 0.27 H new ATOM 0 HB ILE A 9 4.527 -0.590 1.339 1.00 0.29 H new ATOM 0 HG12 ILE A 9 4.477 -2.123 3.979 1.00 0.32 H new ATOM 0 HG13 ILE A 9 3.333 -2.359 2.673 1.00 0.32 H new ATOM 0 HG21 ILE A 9 6.746 -0.831 2.423 1.00 0.32 H new ATOM 0 HG22 ILE A 9 6.170 0.850 2.515 1.00 0.32 H new ATOM 0 HG23 ILE A 9 6.071 -0.204 3.945 1.00 0.32 H new ATOM 0 HD11 ILE A 9 5.173 -4.020 2.537 1.00 0.35 H new ATOM 0 HD12 ILE A 9 5.203 -2.940 1.123 1.00 0.35 H new ATOM 0 HD13 ILE A 9 6.364 -2.701 2.450 1.00 0.35 H new ATOM 134 N LEU A 10 4.031 2.649 3.436 1.00 0.29 N ATOM 135 CA LEU A 10 4.281 4.055 3.012 1.00 0.31 C ATOM 136 C LEU A 10 5.788 4.323 2.979 1.00 0.30 C ATOM 137 O LEU A 10 6.468 4.229 3.981 1.00 0.33 O ATOM 138 CB LEU A 10 3.606 4.921 4.079 1.00 0.37 C ATOM 139 CG LEU A 10 3.371 6.335 3.531 1.00 0.45 C ATOM 140 CD1 LEU A 10 3.018 7.276 4.684 1.00 1.17 C ATOM 141 CD2 LEU A 10 4.636 6.838 2.832 1.00 0.58 C ATOM 0 H LEU A 10 4.088 2.482 4.441 1.00 0.29 H new ATOM 0 HA LEU A 10 3.891 4.266 2.016 1.00 0.31 H new ATOM 0 HB2 LEU A 10 2.657 4.474 4.376 1.00 0.37 H new ATOM 0 HB3 LEU A 10 4.230 4.966 4.971 1.00 0.37 H new ATOM 0 HG LEU A 10 2.550 6.310 2.814 1.00 0.45 H new ATOM 0 HD11 LEU A 10 2.851 8.281 4.296 1.00 1.17 H new ATOM 0 HD12 LEU A 10 2.113 6.923 5.178 1.00 1.17 H new ATOM 0 HD13 LEU A 10 3.838 7.296 5.401 1.00 1.17 H new ATOM 0 HD21 LEU A 10 4.463 7.842 2.445 1.00 0.58 H new ATOM 0 HD22 LEU A 10 5.461 6.861 3.544 1.00 0.58 H new ATOM 0 HD23 LEU A 10 4.887 6.170 2.008 1.00 0.58 H new ATOM 153 N VAL A 11 6.308 4.678 1.838 1.00 0.31 N ATOM 154 CA VAL A 11 7.766 4.978 1.743 1.00 0.35 C ATOM 155 C VAL A 11 7.987 6.493 1.729 1.00 0.39 C ATOM 156 O VAL A 11 7.333 7.219 1.007 1.00 0.76 O ATOM 157 CB VAL A 11 8.231 4.359 0.419 1.00 0.36 C ATOM 158 CG1 VAL A 11 9.725 4.045 0.504 1.00 0.43 C ATOM 159 CG2 VAL A 11 7.458 3.066 0.146 1.00 0.44 C ATOM 0 H VAL A 11 5.788 4.774 0.966 1.00 0.31 H new ATOM 0 HA VAL A 11 8.321 4.575 2.590 1.00 0.35 H new ATOM 0 HB VAL A 11 8.046 5.065 -0.390 1.00 0.36 H new ATOM 0 HG11 VAL A 11 10.058 3.605 -0.436 1.00 0.43 H new ATOM 0 HG12 VAL A 11 10.280 4.964 0.691 1.00 0.43 H new ATOM 0 HG13 VAL A 11 9.903 3.342 1.317 1.00 0.43 H new ATOM 0 HG21 VAL A 11 7.794 2.633 -0.796 1.00 0.44 H new ATOM 0 HG22 VAL A 11 7.636 2.358 0.955 1.00 0.44 H new ATOM 0 HG23 VAL A 11 6.392 3.285 0.084 1.00 0.44 H new ATOM 169 N LYS A 12 8.891 6.978 2.536 1.00 0.53 N ATOM 170 CA LYS A 12 9.138 8.448 2.583 1.00 0.52 C ATOM 171 C LYS A 12 9.668 8.948 1.239 1.00 0.45 C ATOM 172 O LYS A 12 9.364 10.043 0.811 1.00 0.49 O ATOM 173 CB LYS A 12 10.201 8.635 3.664 1.00 0.67 C ATOM 174 CG LYS A 12 10.603 10.109 3.725 1.00 1.25 C ATOM 175 CD LYS A 12 11.829 10.269 4.625 1.00 1.71 C ATOM 176 CE LYS A 12 12.376 11.691 4.486 1.00 2.48 C ATOM 177 NZ LYS A 12 13.158 11.922 5.732 1.00 2.86 N ATOM 0 H LYS A 12 9.469 6.420 3.165 1.00 0.53 H new ATOM 0 HA LYS A 12 8.226 9.006 2.794 1.00 0.52 H new ATOM 0 HB2 LYS A 12 9.815 8.311 4.630 1.00 0.67 H new ATOM 0 HB3 LYS A 12 11.072 8.017 3.445 1.00 0.67 H new ATOM 0 HG2 LYS A 12 10.824 10.478 2.723 1.00 1.25 H new ATOM 0 HG3 LYS A 12 9.776 10.706 4.110 1.00 1.25 H new ATOM 0 HD2 LYS A 12 11.561 10.070 5.663 1.00 1.71 H new ATOM 0 HD3 LYS A 12 12.594 9.544 4.349 1.00 1.71 H new ATOM 0 HE2 LYS A 12 13.005 11.788 3.601 1.00 2.48 H new ATOM 0 HE3 LYS A 12 11.569 12.417 4.385 1.00 2.48 H new ATOM 0 HZ1 LYS A 12 13.567 12.878 5.713 1.00 2.86 H new ATOM 0 HZ2 LYS A 12 12.532 11.829 6.557 1.00 2.86 H new ATOM 0 HZ3 LYS A 12 13.923 11.220 5.797 1.00 2.86 H new ATOM 191 N GLU A 13 10.532 8.196 0.615 1.00 0.47 N ATOM 192 CA GLU A 13 11.160 8.682 -0.644 1.00 0.50 C ATOM 193 C GLU A 13 11.276 7.544 -1.659 1.00 0.43 C ATOM 194 O GLU A 13 11.239 6.380 -1.313 1.00 0.40 O ATOM 195 CB GLU A 13 12.544 9.180 -0.224 1.00 0.64 C ATOM 196 CG GLU A 13 13.310 8.044 0.456 1.00 1.19 C ATOM 197 CD GLU A 13 14.694 8.543 0.876 1.00 1.15 C ATOM 198 OE1 GLU A 13 15.120 9.559 0.351 1.00 1.48 O ATOM 199 OE2 GLU A 13 15.303 7.902 1.716 1.00 1.65 O ATOM 0 H GLU A 13 10.829 7.270 0.921 1.00 0.47 H new ATOM 0 HA GLU A 13 10.573 9.465 -1.124 1.00 0.50 H new ATOM 0 HB2 GLU A 13 13.095 9.534 -1.096 1.00 0.64 H new ATOM 0 HB3 GLU A 13 12.447 10.026 0.457 1.00 0.64 H new ATOM 0 HG2 GLU A 13 12.759 7.690 1.327 1.00 1.19 H new ATOM 0 HG3 GLU A 13 13.408 7.198 -0.225 1.00 1.19 H new ATOM 206 N GLU A 14 11.360 7.877 -2.916 1.00 0.48 N ATOM 207 CA GLU A 14 11.413 6.826 -3.970 1.00 0.51 C ATOM 208 C GLU A 14 12.634 5.924 -3.763 1.00 0.50 C ATOM 209 O GLU A 14 12.578 4.730 -3.979 1.00 0.48 O ATOM 210 CB GLU A 14 11.526 7.599 -5.284 1.00 0.63 C ATOM 211 CG GLU A 14 11.519 6.618 -6.457 1.00 1.19 C ATOM 212 CD GLU A 14 11.632 7.396 -7.770 1.00 1.25 C ATOM 213 OE1 GLU A 14 11.521 8.611 -7.727 1.00 1.39 O ATOM 214 OE2 GLU A 14 11.827 6.765 -8.795 1.00 1.84 O ATOM 0 H GLU A 14 11.394 8.836 -3.261 1.00 0.48 H new ATOM 0 HA GLU A 14 10.539 6.175 -3.952 1.00 0.51 H new ATOM 0 HB2 GLU A 14 10.697 8.300 -5.378 1.00 0.63 H new ATOM 0 HB3 GLU A 14 12.444 8.187 -5.294 1.00 0.63 H new ATOM 0 HG2 GLU A 14 12.348 5.917 -6.364 1.00 1.19 H new ATOM 0 HG3 GLU A 14 10.602 6.029 -6.448 1.00 1.19 H new ATOM 221 N LYS A 15 13.750 6.493 -3.397 1.00 0.55 N ATOM 222 CA LYS A 15 14.987 5.673 -3.238 1.00 0.59 C ATOM 223 C LYS A 15 14.717 4.477 -2.323 1.00 0.51 C ATOM 224 O LYS A 15 15.069 3.357 -2.634 1.00 0.50 O ATOM 225 CB LYS A 15 16.006 6.616 -2.599 1.00 0.70 C ATOM 226 CG LYS A 15 16.374 7.720 -3.592 1.00 1.41 C ATOM 227 CD LYS A 15 17.394 8.662 -2.949 1.00 1.57 C ATOM 228 CE LYS A 15 17.763 9.766 -3.941 1.00 2.31 C ATOM 229 NZ LYS A 15 17.057 10.978 -3.442 1.00 2.50 N ATOM 0 H LYS A 15 13.860 7.488 -3.201 1.00 0.55 H new ATOM 0 HA LYS A 15 15.340 5.271 -4.188 1.00 0.59 H new ATOM 0 HB2 LYS A 15 15.593 7.053 -1.690 1.00 0.70 H new ATOM 0 HB3 LYS A 15 16.898 6.061 -2.309 1.00 0.70 H new ATOM 0 HG2 LYS A 15 16.788 7.284 -4.501 1.00 1.41 H new ATOM 0 HG3 LYS A 15 15.482 8.275 -3.882 1.00 1.41 H new ATOM 0 HD2 LYS A 15 16.980 9.098 -2.040 1.00 1.57 H new ATOM 0 HD3 LYS A 15 18.286 8.106 -2.658 1.00 1.57 H new ATOM 0 HE2 LYS A 15 18.841 9.922 -3.975 1.00 2.31 H new ATOM 0 HE3 LYS A 15 17.445 9.511 -4.952 1.00 2.31 H new ATOM 0 HZ1 LYS A 15 17.260 11.781 -4.070 1.00 2.50 H new ATOM 0 HZ2 LYS A 15 16.032 10.801 -3.426 1.00 2.50 H new ATOM 0 HZ3 LYS A 15 17.385 11.199 -2.480 1.00 2.50 H new ATOM 243 N LEU A 16 14.031 4.689 -1.235 1.00 0.48 N ATOM 244 CA LEU A 16 13.671 3.542 -0.355 1.00 0.46 C ATOM 245 C LEU A 16 12.651 2.653 -1.071 1.00 0.38 C ATOM 246 O LEU A 16 12.756 1.443 -1.068 1.00 0.39 O ATOM 247 CB LEU A 16 13.063 4.173 0.898 1.00 0.52 C ATOM 248 CG LEU A 16 13.182 3.195 2.070 1.00 0.61 C ATOM 249 CD1 LEU A 16 13.489 3.973 3.351 1.00 0.86 C ATOM 250 CD2 LEU A 16 11.867 2.432 2.240 1.00 0.66 C ATOM 0 H LEU A 16 13.705 5.602 -0.918 1.00 0.48 H new ATOM 0 HA LEU A 16 14.527 2.915 -0.106 1.00 0.46 H new ATOM 0 HB2 LEU A 16 13.576 5.105 1.135 1.00 0.52 H new ATOM 0 HB3 LEU A 16 12.016 4.421 0.722 1.00 0.52 H new ATOM 0 HG LEU A 16 13.986 2.487 1.870 1.00 0.61 H new ATOM 0 HD11 LEU A 16 13.574 3.279 4.187 1.00 0.86 H new ATOM 0 HD12 LEU A 16 14.428 4.514 3.232 1.00 0.86 H new ATOM 0 HD13 LEU A 16 12.684 4.681 3.548 1.00 0.86 H new ATOM 0 HD21 LEU A 16 11.955 1.737 3.075 1.00 0.66 H new ATOM 0 HD22 LEU A 16 11.060 3.137 2.439 1.00 0.66 H new ATOM 0 HD23 LEU A 16 11.648 1.877 1.328 1.00 0.66 H new ATOM 262 N ALA A 17 11.715 3.252 -1.759 1.00 0.35 N ATOM 263 CA ALA A 17 10.748 2.449 -2.562 1.00 0.35 C ATOM 264 C ALA A 17 11.499 1.613 -3.603 1.00 0.38 C ATOM 265 O ALA A 17 11.216 0.448 -3.798 1.00 0.39 O ATOM 266 CB ALA A 17 9.850 3.479 -3.247 1.00 0.41 C ATOM 0 H ALA A 17 11.579 4.262 -1.799 1.00 0.35 H new ATOM 0 HA ALA A 17 10.174 1.755 -1.948 1.00 0.35 H new ATOM 0 HB1 ALA A 17 9.109 2.965 -3.859 1.00 0.41 H new ATOM 0 HB2 ALA A 17 9.344 4.080 -2.492 1.00 0.41 H new ATOM 0 HB3 ALA A 17 10.457 4.127 -3.879 1.00 0.41 H new ATOM 272 N LEU A 18 12.509 2.175 -4.214 1.00 0.42 N ATOM 273 CA LEU A 18 13.334 1.380 -5.169 1.00 0.47 C ATOM 274 C LEU A 18 13.950 0.189 -4.441 1.00 0.45 C ATOM 275 O LEU A 18 13.828 -0.942 -4.868 1.00 0.47 O ATOM 276 CB LEU A 18 14.426 2.342 -5.645 1.00 0.57 C ATOM 277 CG LEU A 18 14.347 2.513 -7.164 1.00 1.01 C ATOM 278 CD1 LEU A 18 14.261 4.001 -7.507 1.00 1.61 C ATOM 279 CD2 LEU A 18 15.599 1.914 -7.808 1.00 1.36 C ATOM 0 H LEU A 18 12.797 3.146 -4.093 1.00 0.42 H new ATOM 0 HA LEU A 18 12.752 0.987 -6.002 1.00 0.47 H new ATOM 0 HB2 LEU A 18 14.309 3.309 -5.155 1.00 0.57 H new ATOM 0 HB3 LEU A 18 15.407 1.959 -5.364 1.00 0.57 H new ATOM 0 HG LEU A 18 13.462 2.002 -7.542 1.00 1.01 H new ATOM 0 HD11 LEU A 18 14.205 4.122 -8.589 1.00 1.61 H new ATOM 0 HD12 LEU A 18 13.371 4.430 -7.047 1.00 1.61 H new ATOM 0 HD13 LEU A 18 15.146 4.513 -7.130 1.00 1.61 H new ATOM 0 HD21 LEU A 18 15.545 2.035 -8.890 1.00 1.36 H new ATOM 0 HD22 LEU A 18 16.483 2.426 -7.430 1.00 1.36 H new ATOM 0 HD23 LEU A 18 15.662 0.854 -7.564 1.00 1.36 H new ATOM 291 N ASP A 19 14.511 0.420 -3.289 1.00 0.45 N ATOM 292 CA ASP A 19 15.015 -0.718 -2.474 1.00 0.49 C ATOM 293 C ASP A 19 13.859 -1.667 -2.139 1.00 0.45 C ATOM 294 O ASP A 19 14.000 -2.873 -2.183 1.00 0.51 O ATOM 295 CB ASP A 19 15.575 -0.079 -1.203 1.00 0.55 C ATOM 296 CG ASP A 19 16.243 -1.153 -0.342 1.00 0.67 C ATOM 297 OD1 ASP A 19 16.043 -2.322 -0.628 1.00 1.23 O ATOM 298 OD2 ASP A 19 16.945 -0.788 0.586 1.00 1.36 O ATOM 0 H ASP A 19 14.642 1.344 -2.877 1.00 0.45 H new ATOM 0 HA ASP A 19 15.771 -1.304 -2.996 1.00 0.49 H new ATOM 0 HB2 ASP A 19 16.297 0.696 -1.461 1.00 0.55 H new ATOM 0 HB3 ASP A 19 14.774 0.404 -0.643 1.00 0.55 H new ATOM 303 N LEU A 20 12.707 -1.129 -1.832 1.00 0.42 N ATOM 304 CA LEU A 20 11.533 -1.996 -1.526 1.00 0.47 C ATOM 305 C LEU A 20 11.116 -2.784 -2.775 1.00 0.43 C ATOM 306 O LEU A 20 10.814 -3.959 -2.709 1.00 0.48 O ATOM 307 CB LEU A 20 10.436 -1.019 -1.059 1.00 0.53 C ATOM 308 CG LEU A 20 9.261 -0.987 -2.045 1.00 0.66 C ATOM 309 CD1 LEU A 20 8.491 -2.308 -1.974 1.00 1.11 C ATOM 310 CD2 LEU A 20 8.325 0.166 -1.676 1.00 0.88 C ATOM 0 H LEU A 20 12.530 -0.126 -1.780 1.00 0.42 H new ATOM 0 HA LEU A 20 11.742 -2.745 -0.762 1.00 0.47 H new ATOM 0 HB2 LEU A 20 10.078 -1.315 -0.073 1.00 0.53 H new ATOM 0 HB3 LEU A 20 10.856 -0.018 -0.958 1.00 0.53 H new ATOM 0 HG LEU A 20 9.640 -0.845 -3.057 1.00 0.66 H new ATOM 0 HD11 LEU A 20 7.657 -2.281 -2.676 1.00 1.11 H new ATOM 0 HD12 LEU A 20 9.157 -3.132 -2.232 1.00 1.11 H new ATOM 0 HD13 LEU A 20 8.110 -2.453 -0.963 1.00 1.11 H new ATOM 0 HD21 LEU A 20 7.488 0.193 -2.374 1.00 0.88 H new ATOM 0 HD22 LEU A 20 7.949 0.019 -0.664 1.00 0.88 H new ATOM 0 HD23 LEU A 20 8.871 1.108 -1.727 1.00 0.88 H new ATOM 322 N LEU A 21 11.070 -2.134 -3.904 1.00 0.40 N ATOM 323 CA LEU A 21 10.640 -2.829 -5.150 1.00 0.43 C ATOM 324 C LEU A 21 11.545 -4.032 -5.423 1.00 0.43 C ATOM 325 O LEU A 21 11.086 -5.146 -5.582 1.00 0.42 O ATOM 326 CB LEU A 21 10.791 -1.780 -6.253 1.00 0.52 C ATOM 327 CG LEU A 21 9.529 -0.914 -6.313 1.00 0.80 C ATOM 328 CD1 LEU A 21 9.904 0.557 -6.114 1.00 1.55 C ATOM 329 CD2 LEU A 21 8.861 -1.086 -7.678 1.00 1.17 C ATOM 0 H LEU A 21 11.312 -1.150 -4.018 1.00 0.40 H new ATOM 0 HA LEU A 21 9.621 -3.210 -5.084 1.00 0.43 H new ATOM 0 HB2 LEU A 21 11.664 -1.156 -6.059 1.00 0.52 H new ATOM 0 HB3 LEU A 21 10.955 -2.268 -7.214 1.00 0.52 H new ATOM 0 HG LEU A 21 8.841 -1.222 -5.526 1.00 0.80 H new ATOM 0 HD11 LEU A 21 9.004 1.171 -6.157 1.00 1.55 H new ATOM 0 HD12 LEU A 21 10.383 0.682 -5.143 1.00 1.55 H new ATOM 0 HD13 LEU A 21 10.592 0.867 -6.900 1.00 1.55 H new ATOM 0 HD21 LEU A 21 7.962 -0.471 -7.723 1.00 1.17 H new ATOM 0 HD22 LEU A 21 9.552 -0.778 -8.463 1.00 1.17 H new ATOM 0 HD23 LEU A 21 8.592 -2.132 -7.822 1.00 1.17 H new ATOM 341 N GLU A 22 12.831 -3.819 -5.454 1.00 0.47 N ATOM 342 CA GLU A 22 13.773 -4.953 -5.688 1.00 0.49 C ATOM 343 C GLU A 22 13.668 -5.988 -4.562 1.00 0.43 C ATOM 344 O GLU A 22 13.850 -7.170 -4.776 1.00 0.42 O ATOM 345 CB GLU A 22 15.162 -4.314 -5.700 1.00 0.59 C ATOM 346 CG GLU A 22 16.217 -5.396 -5.936 1.00 1.26 C ATOM 347 CD GLU A 22 17.608 -4.759 -5.948 1.00 1.71 C ATOM 348 OE1 GLU A 22 17.681 -3.541 -5.967 1.00 2.41 O ATOM 349 OE2 GLU A 22 18.578 -5.500 -5.938 1.00 2.07 O ATOM 0 H GLU A 22 13.272 -2.908 -5.327 1.00 0.47 H new ATOM 0 HA GLU A 22 13.554 -5.481 -6.616 1.00 0.49 H new ATOM 0 HB2 GLU A 22 15.220 -3.558 -6.483 1.00 0.59 H new ATOM 0 HB3 GLU A 22 15.350 -3.808 -4.753 1.00 0.59 H new ATOM 0 HG2 GLU A 22 16.159 -6.153 -5.153 1.00 1.26 H new ATOM 0 HG3 GLU A 22 16.029 -5.902 -6.883 1.00 1.26 H new ATOM 356 N GLN A 23 13.534 -5.536 -3.344 1.00 0.45 N ATOM 357 CA GLN A 23 13.604 -6.475 -2.184 1.00 0.46 C ATOM 358 C GLN A 23 12.509 -7.545 -2.276 1.00 0.41 C ATOM 359 O GLN A 23 12.723 -8.693 -1.941 1.00 0.42 O ATOM 360 CB GLN A 23 13.380 -5.591 -0.957 1.00 0.56 C ATOM 361 CG GLN A 23 13.729 -6.374 0.310 1.00 0.97 C ATOM 362 CD GLN A 23 15.249 -6.517 0.418 1.00 1.42 C ATOM 363 OE1 GLN A 23 15.945 -5.549 0.650 1.00 1.72 O ATOM 364 NE2 GLN A 23 15.797 -7.691 0.262 1.00 2.35 N ATOM 0 H GLN A 23 13.379 -4.558 -3.101 1.00 0.45 H new ATOM 0 HA GLN A 23 14.554 -7.008 -2.149 1.00 0.46 H new ATOM 0 HB2 GLN A 23 13.997 -4.695 -1.024 1.00 0.56 H new ATOM 0 HB3 GLN A 23 12.342 -5.261 -0.918 1.00 0.56 H new ATOM 0 HG2 GLN A 23 13.338 -5.859 1.188 1.00 0.97 H new ATOM 0 HG3 GLN A 23 13.261 -7.358 0.283 1.00 0.97 H new ATOM 0 HE21 GLN A 23 15.213 -8.504 0.067 1.00 2.35 H new ATOM 0 HE22 GLN A 23 16.809 -7.795 0.335 1.00 2.35 H new ATOM 373 N ILE A 24 11.318 -7.163 -2.650 1.00 0.40 N ATOM 374 CA ILE A 24 10.191 -8.144 -2.670 1.00 0.38 C ATOM 375 C ILE A 24 10.462 -9.250 -3.691 1.00 0.38 C ATOM 376 O ILE A 24 10.351 -10.420 -3.393 1.00 0.42 O ATOM 377 CB ILE A 24 8.967 -7.323 -3.073 1.00 0.44 C ATOM 378 CG1 ILE A 24 8.707 -6.249 -2.014 1.00 0.58 C ATOM 379 CG2 ILE A 24 7.748 -8.241 -3.178 1.00 0.44 C ATOM 380 CD1 ILE A 24 7.731 -5.209 -2.567 1.00 0.63 C ATOM 0 H ILE A 24 11.075 -6.216 -2.942 1.00 0.40 H new ATOM 0 HA ILE A 24 10.054 -8.637 -1.708 1.00 0.38 H new ATOM 0 HB ILE A 24 9.147 -6.849 -4.038 1.00 0.44 H new ATOM 0 HG12 ILE A 24 8.297 -6.704 -1.113 1.00 0.58 H new ATOM 0 HG13 ILE A 24 9.644 -5.769 -1.731 1.00 0.58 H new ATOM 0 HG21 ILE A 24 6.875 -7.655 -3.465 1.00 0.44 H new ATOM 0 HG22 ILE A 24 7.934 -9.008 -3.930 1.00 0.44 H new ATOM 0 HG23 ILE A 24 7.565 -8.715 -2.214 1.00 0.44 H new ATOM 0 HD11 ILE A 24 7.547 -4.445 -1.812 1.00 0.63 H new ATOM 0 HD12 ILE A 24 8.159 -4.745 -3.456 1.00 0.63 H new ATOM 0 HD13 ILE A 24 6.791 -5.695 -2.828 1.00 0.63 H new ATOM 392 N LYS A 25 10.858 -8.900 -4.880 1.00 0.41 N ATOM 393 CA LYS A 25 11.181 -9.956 -5.879 1.00 0.48 C ATOM 394 C LYS A 25 12.361 -10.802 -5.390 1.00 0.50 C ATOM 395 O LYS A 25 12.283 -12.012 -5.323 1.00 0.60 O ATOM 396 CB LYS A 25 11.550 -9.193 -7.150 1.00 0.54 C ATOM 397 CG LYS A 25 10.287 -8.591 -7.768 1.00 1.43 C ATOM 398 CD LYS A 25 10.682 -7.558 -8.825 1.00 1.64 C ATOM 399 CE LYS A 25 9.700 -7.625 -9.996 1.00 2.66 C ATOM 400 NZ LYS A 25 10.538 -8.008 -11.168 1.00 2.93 N ATOM 0 H LYS A 25 10.972 -7.939 -5.203 1.00 0.41 H new ATOM 0 HA LYS A 25 10.350 -10.642 -6.044 1.00 0.48 H new ATOM 0 HB2 LYS A 25 12.266 -8.404 -6.919 1.00 0.54 H new ATOM 0 HB3 LYS A 25 12.032 -9.863 -7.862 1.00 0.54 H new ATOM 0 HG2 LYS A 25 9.680 -9.376 -8.219 1.00 1.43 H new ATOM 0 HG3 LYS A 25 9.678 -8.122 -6.995 1.00 1.43 H new ATOM 0 HD2 LYS A 25 10.679 -6.558 -8.391 1.00 1.64 H new ATOM 0 HD3 LYS A 25 11.696 -7.750 -9.175 1.00 1.64 H new ATOM 0 HE2 LYS A 25 8.915 -8.359 -9.813 1.00 2.66 H new ATOM 0 HE3 LYS A 25 9.209 -6.665 -10.157 1.00 2.66 H new ATOM 0 HZ1 LYS A 25 9.939 -8.076 -12.016 1.00 2.93 H new ATOM 0 HZ2 LYS A 25 11.273 -7.288 -11.320 1.00 2.93 H new ATOM 0 HZ3 LYS A 25 10.988 -8.928 -10.987 1.00 2.93 H new ATOM 414 N ASN A 26 13.439 -10.170 -5.009 1.00 0.47 N ATOM 415 CA ASN A 26 14.605 -10.935 -4.479 1.00 0.55 C ATOM 416 C ASN A 26 14.217 -11.712 -3.215 1.00 0.61 C ATOM 417 O ASN A 26 14.630 -12.838 -3.018 1.00 0.79 O ATOM 418 CB ASN A 26 15.662 -9.876 -4.161 1.00 0.58 C ATOM 419 CG ASN A 26 16.220 -9.309 -5.467 1.00 1.10 C ATOM 420 OD1 ASN A 26 16.085 -8.133 -5.739 1.00 1.79 O ATOM 421 ND2 ASN A 26 16.847 -10.101 -6.293 1.00 1.71 N ATOM 0 H ASN A 26 13.563 -9.158 -5.042 1.00 0.47 H new ATOM 0 HA ASN A 26 14.968 -11.673 -5.194 1.00 0.55 H new ATOM 0 HB2 ASN A 26 15.224 -9.077 -3.562 1.00 0.58 H new ATOM 0 HB3 ASN A 26 16.465 -10.314 -3.569 1.00 0.58 H new ATOM 0 HD21 ASN A 26 17.223 -9.732 -7.166 1.00 1.71 H new ATOM 0 HD22 ASN A 26 16.961 -11.089 -6.065 1.00 1.71 H new ATOM 428 N GLY A 27 13.452 -11.110 -2.344 1.00 0.54 N ATOM 429 CA GLY A 27 13.070 -11.805 -1.081 1.00 0.65 C ATOM 430 C GLY A 27 11.610 -12.252 -1.167 1.00 0.55 C ATOM 431 O GLY A 27 11.319 -13.430 -1.222 1.00 0.72 O ATOM 0 H GLY A 27 13.076 -10.168 -2.452 1.00 0.54 H new ATOM 0 HA2 GLY A 27 13.717 -12.667 -0.918 1.00 0.65 H new ATOM 0 HA3 GLY A 27 13.208 -11.138 -0.230 1.00 0.65 H new ATOM 435 N ALA A 28 10.703 -11.307 -1.244 1.00 0.45 N ATOM 436 CA ALA A 28 9.247 -11.626 -1.412 1.00 0.46 C ATOM 437 C ALA A 28 8.571 -11.780 -0.052 1.00 0.55 C ATOM 438 O ALA A 28 8.626 -12.820 0.573 1.00 1.21 O ATOM 439 CB ALA A 28 9.172 -12.925 -2.214 1.00 0.57 C ATOM 0 H ALA A 28 10.913 -10.310 -1.197 1.00 0.45 H new ATOM 0 HA ALA A 28 8.726 -10.823 -1.933 1.00 0.46 H new ATOM 0 HB1 ALA A 28 8.128 -13.201 -2.363 1.00 0.57 H new ATOM 0 HB2 ALA A 28 9.652 -12.783 -3.182 1.00 0.57 H new ATOM 0 HB3 ALA A 28 9.682 -13.719 -1.669 1.00 0.57 H new ATOM 445 N ASP A 29 7.947 -10.736 0.414 1.00 0.52 N ATOM 446 CA ASP A 29 7.276 -10.791 1.740 1.00 0.49 C ATOM 447 C ASP A 29 6.585 -9.456 2.019 1.00 0.40 C ATOM 448 O ASP A 29 7.152 -8.570 2.623 1.00 0.41 O ATOM 449 CB ASP A 29 8.411 -11.035 2.731 1.00 0.60 C ATOM 450 CG ASP A 29 8.241 -12.413 3.374 1.00 0.76 C ATOM 451 OD1 ASP A 29 7.114 -12.768 3.677 1.00 1.31 O ATOM 452 OD2 ASP A 29 9.241 -13.088 3.555 1.00 1.56 O ATOM 0 H ASP A 29 7.873 -9.841 -0.070 1.00 0.52 H new ATOM 0 HA ASP A 29 6.510 -11.564 1.802 1.00 0.49 H new ATOM 0 HB2 ASP A 29 9.372 -10.976 2.221 1.00 0.60 H new ATOM 0 HB3 ASP A 29 8.410 -10.261 3.499 1.00 0.60 H new ATOM 457 N PHE A 30 5.401 -9.270 1.506 1.00 0.39 N ATOM 458 CA PHE A 30 4.727 -7.949 1.659 1.00 0.40 C ATOM 459 C PHE A 30 4.367 -7.692 3.126 1.00 0.42 C ATOM 460 O PHE A 30 4.562 -6.608 3.640 1.00 0.43 O ATOM 461 CB PHE A 30 3.466 -8.038 0.795 1.00 0.46 C ATOM 462 CG PHE A 30 3.747 -7.451 -0.571 1.00 0.88 C ATOM 463 CD1 PHE A 30 3.607 -6.072 -0.778 1.00 1.29 C ATOM 464 CD2 PHE A 30 4.151 -8.279 -1.630 1.00 1.37 C ATOM 465 CE1 PHE A 30 3.868 -5.522 -2.039 1.00 1.86 C ATOM 466 CE2 PHE A 30 4.413 -7.726 -2.890 1.00 1.92 C ATOM 467 CZ PHE A 30 4.272 -6.348 -3.095 1.00 2.10 C ATOM 0 H PHE A 30 4.872 -9.972 0.989 1.00 0.39 H new ATOM 0 HA PHE A 30 5.371 -7.125 1.351 1.00 0.40 H new ATOM 0 HB2 PHE A 30 3.151 -9.077 0.698 1.00 0.46 H new ATOM 0 HB3 PHE A 30 2.647 -7.500 1.272 1.00 0.46 H new ATOM 0 HD1 PHE A 30 3.298 -5.433 0.036 1.00 1.29 H new ATOM 0 HD2 PHE A 30 4.260 -9.342 -1.473 1.00 1.37 H new ATOM 0 HE1 PHE A 30 3.758 -4.459 -2.197 1.00 1.86 H new ATOM 0 HE2 PHE A 30 4.724 -8.363 -3.704 1.00 1.92 H new ATOM 0 HZ PHE A 30 4.475 -5.923 -4.067 1.00 2.10 H new ATOM 477 N GLY A 31 3.845 -8.675 3.806 1.00 0.49 N ATOM 478 CA GLY A 31 3.476 -8.471 5.235 1.00 0.56 C ATOM 479 C GLY A 31 4.736 -8.204 6.064 1.00 0.54 C ATOM 480 O GLY A 31 4.802 -7.262 6.830 1.00 0.53 O ATOM 0 H GLY A 31 3.659 -9.607 3.436 1.00 0.49 H new ATOM 0 HA2 GLY A 31 2.786 -7.632 5.326 1.00 0.56 H new ATOM 0 HA3 GLY A 31 2.959 -9.352 5.616 1.00 0.56 H new ATOM 484 N LYS A 32 5.728 -9.043 5.943 1.00 0.57 N ATOM 485 CA LYS A 32 6.962 -8.852 6.757 1.00 0.63 C ATOM 486 C LYS A 32 7.700 -7.577 6.339 1.00 0.54 C ATOM 487 O LYS A 32 8.215 -6.856 7.167 1.00 0.59 O ATOM 488 CB LYS A 32 7.819 -10.092 6.506 1.00 0.74 C ATOM 489 CG LYS A 32 7.182 -11.291 7.212 1.00 1.60 C ATOM 490 CD LYS A 32 8.165 -12.462 7.226 1.00 1.80 C ATOM 491 CE LYS A 32 7.816 -13.402 8.383 1.00 2.79 C ATOM 492 NZ LYS A 32 8.495 -12.811 9.572 1.00 2.95 N ATOM 0 H LYS A 32 5.738 -9.849 5.318 1.00 0.57 H new ATOM 0 HA LYS A 32 6.731 -8.737 7.816 1.00 0.63 H new ATOM 0 HB2 LYS A 32 7.898 -10.284 5.436 1.00 0.74 H new ATOM 0 HB3 LYS A 32 8.831 -9.931 6.877 1.00 0.74 H new ATOM 0 HG2 LYS A 32 6.908 -11.021 8.232 1.00 1.60 H new ATOM 0 HG3 LYS A 32 6.264 -11.580 6.701 1.00 1.60 H new ATOM 0 HD2 LYS A 32 8.121 -13.000 6.279 1.00 1.80 H new ATOM 0 HD3 LYS A 32 9.185 -12.094 7.336 1.00 1.80 H new ATOM 0 HE2 LYS A 32 6.738 -13.462 8.532 1.00 2.79 H new ATOM 0 HE3 LYS A 32 8.168 -14.415 8.189 1.00 2.79 H new ATOM 0 HZ1 LYS A 32 7.969 -13.063 10.433 1.00 2.95 H new ATOM 0 HZ2 LYS A 32 9.465 -13.181 9.637 1.00 2.95 H new ATOM 0 HZ3 LYS A 32 8.525 -11.776 9.476 1.00 2.95 H new ATOM 506 N LEU A 33 7.739 -7.274 5.071 1.00 0.46 N ATOM 507 CA LEU A 33 8.425 -6.022 4.636 1.00 0.44 C ATOM 508 C LEU A 33 7.729 -4.802 5.241 1.00 0.39 C ATOM 509 O LEU A 33 8.371 -3.896 5.730 1.00 0.44 O ATOM 510 CB LEU A 33 8.322 -6.004 3.112 1.00 0.44 C ATOM 511 CG LEU A 33 9.279 -7.044 2.527 1.00 1.32 C ATOM 512 CD1 LEU A 33 9.012 -7.197 1.029 1.00 1.55 C ATOM 513 CD2 LEU A 33 10.722 -6.583 2.743 1.00 1.96 C ATOM 0 H LEU A 33 7.330 -7.833 4.322 1.00 0.46 H new ATOM 0 HA LEU A 33 9.464 -5.991 4.965 1.00 0.44 H new ATOM 0 HB2 LEU A 33 7.299 -6.220 2.803 1.00 0.44 H new ATOM 0 HB3 LEU A 33 8.568 -5.013 2.731 1.00 0.44 H new ATOM 0 HG LEU A 33 9.124 -8.002 3.023 1.00 1.32 H new ATOM 0 HD11 LEU A 33 9.694 -7.938 0.612 1.00 1.55 H new ATOM 0 HD12 LEU A 33 7.983 -7.522 0.874 1.00 1.55 H new ATOM 0 HD13 LEU A 33 9.168 -6.240 0.532 1.00 1.55 H new ATOM 0 HD21 LEU A 33 11.406 -7.322 2.327 1.00 1.96 H new ATOM 0 HD22 LEU A 33 10.876 -5.625 2.246 1.00 1.96 H new ATOM 0 HD23 LEU A 33 10.913 -6.472 3.810 1.00 1.96 H new ATOM 525 N ALA A 34 6.426 -4.805 5.294 1.00 0.36 N ATOM 526 CA ALA A 34 5.719 -3.679 5.965 1.00 0.42 C ATOM 527 C ALA A 34 6.157 -3.602 7.430 1.00 0.48 C ATOM 528 O ALA A 34 6.453 -2.543 7.945 1.00 0.55 O ATOM 529 CB ALA A 34 4.233 -4.027 5.866 1.00 0.46 C ATOM 0 H ALA A 34 5.825 -5.532 4.905 1.00 0.36 H new ATOM 0 HA ALA A 34 5.937 -2.714 5.508 1.00 0.42 H new ATOM 0 HB1 ALA A 34 3.643 -3.242 6.340 1.00 0.46 H new ATOM 0 HB2 ALA A 34 3.948 -4.112 4.817 1.00 0.46 H new ATOM 0 HB3 ALA A 34 4.047 -4.975 6.370 1.00 0.46 H new ATOM 535 N LYS A 35 6.266 -4.727 8.080 1.00 0.53 N ATOM 536 CA LYS A 35 6.759 -4.739 9.489 1.00 0.65 C ATOM 537 C LYS A 35 8.176 -4.152 9.576 1.00 0.68 C ATOM 538 O LYS A 35 8.500 -3.427 10.495 1.00 0.78 O ATOM 539 CB LYS A 35 6.768 -6.222 9.870 1.00 0.73 C ATOM 540 CG LYS A 35 7.421 -6.409 11.241 1.00 1.51 C ATOM 541 CD LYS A 35 7.420 -7.898 11.598 1.00 1.79 C ATOM 542 CE LYS A 35 8.381 -8.150 12.762 1.00 2.61 C ATOM 543 NZ LYS A 35 7.870 -7.297 13.872 1.00 3.08 N ATOM 0 H LYS A 35 6.034 -5.643 7.696 1.00 0.53 H new ATOM 0 HA LYS A 35 6.137 -4.138 10.153 1.00 0.65 H new ATOM 0 HB2 LYS A 35 5.748 -6.607 9.889 1.00 0.73 H new ATOM 0 HB3 LYS A 35 7.311 -6.795 9.119 1.00 0.73 H new ATOM 0 HG2 LYS A 35 8.442 -6.027 11.227 1.00 1.51 H new ATOM 0 HG3 LYS A 35 6.878 -5.841 11.997 1.00 1.51 H new ATOM 0 HD2 LYS A 35 6.413 -8.216 11.869 1.00 1.79 H new ATOM 0 HD3 LYS A 35 7.719 -8.490 10.733 1.00 1.79 H new ATOM 0 HE2 LYS A 35 8.391 -9.203 13.045 1.00 2.61 H new ATOM 0 HE3 LYS A 35 9.403 -7.881 12.496 1.00 2.61 H new ATOM 0 HZ1 LYS A 35 8.212 -7.668 14.781 1.00 3.08 H new ATOM 0 HZ2 LYS A 35 8.210 -6.322 13.746 1.00 3.08 H new ATOM 0 HZ3 LYS A 35 6.830 -7.304 13.865 1.00 3.08 H new ATOM 557 N LYS A 36 9.051 -4.563 8.699 1.00 0.65 N ATOM 558 CA LYS A 36 10.482 -4.146 8.810 1.00 0.74 C ATOM 559 C LYS A 36 10.670 -2.655 8.495 1.00 0.72 C ATOM 560 O LYS A 36 11.579 -2.026 9.002 1.00 0.83 O ATOM 561 CB LYS A 36 11.212 -4.997 7.772 1.00 0.78 C ATOM 562 CG LYS A 36 12.694 -4.618 7.751 1.00 1.40 C ATOM 563 CD LYS A 36 13.423 -5.471 6.712 1.00 1.47 C ATOM 564 CE LYS A 36 14.868 -4.986 6.579 1.00 2.29 C ATOM 565 NZ LYS A 36 15.478 -5.880 5.555 1.00 2.85 N ATOM 0 H LYS A 36 8.838 -5.171 7.908 1.00 0.65 H new ATOM 0 HA LYS A 36 10.859 -4.289 9.823 1.00 0.74 H new ATOM 0 HB2 LYS A 36 11.100 -6.055 8.010 1.00 0.78 H new ATOM 0 HB3 LYS A 36 10.773 -4.843 6.786 1.00 0.78 H new ATOM 0 HG2 LYS A 36 12.807 -3.560 7.513 1.00 1.40 H new ATOM 0 HG3 LYS A 36 13.134 -4.771 8.737 1.00 1.40 H new ATOM 0 HD2 LYS A 36 13.406 -6.519 7.009 1.00 1.47 H new ATOM 0 HD3 LYS A 36 12.915 -5.404 5.750 1.00 1.47 H new ATOM 0 HE2 LYS A 36 14.908 -3.942 6.267 1.00 2.29 H new ATOM 0 HE3 LYS A 36 15.397 -5.055 7.529 1.00 2.29 H new ATOM 0 HZ1 LYS A 36 16.472 -5.611 5.407 1.00 2.85 H new ATOM 0 HZ2 LYS A 36 15.431 -6.866 5.883 1.00 2.85 H new ATOM 0 HZ3 LYS A 36 14.957 -5.788 4.659 1.00 2.85 H new ATOM 579 N HIS A 37 9.984 -2.150 7.505 1.00 0.64 N ATOM 580 CA HIS A 37 10.329 -0.788 6.996 1.00 0.70 C ATOM 581 C HIS A 37 9.341 0.271 7.499 1.00 0.66 C ATOM 582 O HIS A 37 9.642 1.448 7.509 1.00 0.75 O ATOM 583 CB HIS A 37 10.252 -0.906 5.474 1.00 0.78 C ATOM 584 CG HIS A 37 11.462 -1.641 4.967 1.00 0.78 C ATOM 585 ND1 HIS A 37 12.732 -1.088 5.010 1.00 1.37 N ATOM 586 CD2 HIS A 37 11.612 -2.881 4.398 1.00 1.41 C ATOM 587 CE1 HIS A 37 13.583 -1.986 4.481 1.00 1.51 C ATOM 588 NE2 HIS A 37 12.952 -3.097 4.092 1.00 1.52 N ATOM 0 H HIS A 37 9.209 -2.613 7.031 1.00 0.64 H new ATOM 0 HA HIS A 37 11.312 -0.472 7.343 1.00 0.70 H new ATOM 0 HB2 HIS A 37 9.344 -1.435 5.185 1.00 0.78 H new ATOM 0 HB3 HIS A 37 10.200 0.085 5.024 1.00 0.78 H new ATOM 0 HD2 HIS A 37 10.811 -3.583 4.216 1.00 1.41 H new ATOM 0 HE1 HIS A 37 14.647 -1.828 4.383 1.00 1.51 H new ATOM 0 HE2 HIS A 37 13.364 -3.926 3.663 1.00 1.52 H new ATOM 596 N SER A 38 8.148 -0.117 7.850 1.00 0.59 N ATOM 597 CA SER A 38 7.141 0.898 8.271 1.00 0.61 C ATOM 598 C SER A 38 7.646 1.674 9.490 1.00 0.61 C ATOM 599 O SER A 38 7.558 2.885 9.543 1.00 0.71 O ATOM 600 CB SER A 38 5.890 0.096 8.619 1.00 0.63 C ATOM 601 OG SER A 38 4.845 0.986 8.975 1.00 1.25 O ATOM 0 H SER A 38 7.827 -1.085 7.864 1.00 0.59 H new ATOM 0 HA SER A 38 6.946 1.634 7.491 1.00 0.61 H new ATOM 0 HB2 SER A 38 5.588 -0.515 7.769 1.00 0.63 H new ATOM 0 HB3 SER A 38 6.099 -0.586 9.444 1.00 0.63 H new ATOM 0 HG SER A 38 5.051 1.404 9.837 1.00 1.25 H new ATOM 607 N ILE A 39 8.211 0.989 10.450 1.00 0.62 N ATOM 608 CA ILE A 39 8.767 1.687 11.648 1.00 0.74 C ATOM 609 C ILE A 39 7.872 2.864 12.048 1.00 0.75 C ATOM 610 O ILE A 39 8.335 3.857 12.574 1.00 0.86 O ATOM 611 CB ILE A 39 10.149 2.182 11.217 1.00 0.89 C ATOM 612 CG1 ILE A 39 10.911 2.695 12.441 1.00 1.69 C ATOM 613 CG2 ILE A 39 9.998 3.314 10.198 1.00 1.71 C ATOM 614 CD1 ILE A 39 12.394 2.844 12.095 1.00 2.05 C ATOM 0 H ILE A 39 8.312 -0.026 10.456 1.00 0.62 H new ATOM 0 HA ILE A 39 8.823 1.029 12.515 1.00 0.74 H new ATOM 0 HB ILE A 39 10.701 1.360 10.762 1.00 0.89 H new ATOM 0 HG12 ILE A 39 10.503 3.654 12.760 1.00 1.69 H new ATOM 0 HG13 ILE A 39 10.789 2.003 13.274 1.00 1.69 H new ATOM 0 HG21 ILE A 39 10.985 3.664 9.894 1.00 1.71 H new ATOM 0 HG22 ILE A 39 9.458 2.948 9.325 1.00 1.71 H new ATOM 0 HG23 ILE A 39 9.444 4.138 10.649 1.00 1.71 H new ATOM 0 HD11 ILE A 39 12.936 3.209 12.967 1.00 2.05 H new ATOM 0 HD12 ILE A 39 12.797 1.876 11.796 1.00 2.05 H new ATOM 0 HD13 ILE A 39 12.507 3.553 11.275 1.00 2.05 H new ATOM 626 N CYS A 40 6.597 2.771 11.784 1.00 0.71 N ATOM 627 CA CYS A 40 5.683 3.897 12.129 1.00 0.81 C ATOM 628 C CYS A 40 4.533 3.391 13.008 1.00 0.82 C ATOM 629 O CYS A 40 4.355 2.201 13.171 1.00 0.78 O ATOM 630 CB CYS A 40 5.160 4.410 10.783 1.00 0.88 C ATOM 631 SG CYS A 40 3.914 3.269 10.131 1.00 1.15 S ATOM 0 H CYS A 40 6.150 1.966 11.345 1.00 0.71 H new ATOM 0 HA CYS A 40 6.185 4.684 12.692 1.00 0.81 H new ATOM 0 HB2 CYS A 40 4.728 5.403 10.905 1.00 0.88 H new ATOM 0 HB3 CYS A 40 5.984 4.506 10.076 1.00 0.88 H new ATOM 0 HG CYS A 40 4.400 2.635 9.106 1.00 1.15 H new ATOM 637 N PRO A 41 3.797 4.320 13.554 1.00 0.95 N ATOM 638 CA PRO A 41 2.658 3.966 14.437 1.00 1.05 C ATOM 639 C PRO A 41 1.650 3.107 13.673 1.00 1.00 C ATOM 640 O PRO A 41 0.930 2.314 14.248 1.00 1.14 O ATOM 641 CB PRO A 41 2.044 5.314 14.817 1.00 1.23 C ATOM 642 CG PRO A 41 3.083 6.342 14.486 1.00 1.25 C ATOM 643 CD PRO A 41 3.954 5.768 13.401 1.00 1.06 C ATOM 0 HA PRO A 41 2.961 3.389 15.311 1.00 1.05 H new ATOM 0 HB2 PRO A 41 1.124 5.495 14.262 1.00 1.23 H new ATOM 0 HB3 PRO A 41 1.788 5.343 15.876 1.00 1.23 H new ATOM 0 HG2 PRO A 41 2.614 7.268 14.152 1.00 1.25 H new ATOM 0 HG3 PRO A 41 3.677 6.585 15.367 1.00 1.25 H new ATOM 0 HD2 PRO A 41 3.635 6.103 12.414 1.00 1.06 H new ATOM 0 HD3 PRO A 41 4.994 6.072 13.520 1.00 1.06 H new ATOM 651 N SER A 42 1.648 3.206 12.375 1.00 0.97 N ATOM 652 CA SER A 42 0.755 2.343 11.559 1.00 0.93 C ATOM 653 C SER A 42 1.573 1.237 10.893 1.00 0.83 C ATOM 654 O SER A 42 1.168 0.664 9.903 1.00 0.92 O ATOM 655 CB SER A 42 0.143 3.273 10.510 1.00 1.05 C ATOM 656 OG SER A 42 0.891 4.477 10.447 1.00 1.23 O ATOM 0 H SER A 42 2.230 3.852 11.842 1.00 0.97 H new ATOM 0 HA SER A 42 -0.015 1.856 12.158 1.00 0.93 H new ATOM 0 HB2 SER A 42 0.138 2.785 9.535 1.00 1.05 H new ATOM 0 HB3 SER A 42 -0.895 3.490 10.763 1.00 1.05 H new ATOM 0 HG SER A 42 1.816 4.275 10.193 1.00 1.23 H new ATOM 662 N GLY A 43 2.659 0.847 11.497 1.00 0.75 N ATOM 663 CA GLY A 43 3.410 -0.323 10.968 1.00 0.71 C ATOM 664 C GLY A 43 2.655 -1.596 11.343 1.00 0.63 C ATOM 665 O GLY A 43 2.205 -2.336 10.491 1.00 0.57 O ATOM 0 H GLY A 43 3.057 1.284 12.328 1.00 0.75 H new ATOM 0 HA2 GLY A 43 3.512 -0.249 9.885 1.00 0.71 H new ATOM 0 HA3 GLY A 43 4.418 -0.345 11.383 1.00 0.71 H new ATOM 669 N LYS A 44 2.416 -1.797 12.609 1.00 0.79 N ATOM 670 CA LYS A 44 1.577 -2.954 13.029 1.00 0.94 C ATOM 671 C LYS A 44 0.173 -2.851 12.423 1.00 0.94 C ATOM 672 O LYS A 44 -0.435 -3.846 12.083 1.00 1.01 O ATOM 673 CB LYS A 44 1.515 -2.881 14.555 1.00 1.25 C ATOM 674 CG LYS A 44 2.888 -3.228 15.135 1.00 1.87 C ATOM 675 CD LYS A 44 2.808 -3.249 16.663 1.00 2.21 C ATOM 676 CE LYS A 44 4.129 -3.767 17.236 1.00 3.18 C ATOM 677 NZ LYS A 44 4.172 -5.212 16.862 1.00 3.70 N ATOM 0 H LYS A 44 2.764 -1.212 13.369 1.00 0.79 H new ATOM 0 HA LYS A 44 1.995 -3.901 12.688 1.00 0.94 H new ATOM 0 HB2 LYS A 44 1.216 -1.881 14.871 1.00 1.25 H new ATOM 0 HB3 LYS A 44 0.762 -3.573 14.933 1.00 1.25 H new ATOM 0 HG2 LYS A 44 3.216 -4.199 14.764 1.00 1.87 H new ATOM 0 HG3 LYS A 44 3.627 -2.496 14.809 1.00 1.87 H new ATOM 0 HD2 LYS A 44 2.603 -2.247 17.041 1.00 2.21 H new ATOM 0 HD3 LYS A 44 1.985 -3.886 16.986 1.00 2.21 H new ATOM 0 HE2 LYS A 44 4.979 -3.226 16.820 1.00 3.18 H new ATOM 0 HE3 LYS A 44 4.168 -3.638 18.318 1.00 3.18 H new ATOM 0 HZ1 LYS A 44 4.722 -5.738 17.571 1.00 3.70 H new ATOM 0 HZ2 LYS A 44 3.204 -5.590 16.824 1.00 3.70 H new ATOM 0 HZ3 LYS A 44 4.621 -5.316 15.930 1.00 3.70 H new ATOM 691 N ARG A 45 -0.389 -1.671 12.376 1.00 0.97 N ATOM 692 CA ARG A 45 -1.797 -1.544 11.899 1.00 1.15 C ATOM 693 C ARG A 45 -1.835 -1.171 10.410 1.00 1.10 C ATOM 694 O ARG A 45 -2.571 -1.751 9.636 1.00 1.23 O ATOM 695 CB ARG A 45 -2.402 -0.434 12.766 1.00 1.37 C ATOM 696 CG ARG A 45 -3.615 0.173 12.060 1.00 1.58 C ATOM 697 CD ARG A 45 -4.644 -0.924 11.780 1.00 1.82 C ATOM 698 NE ARG A 45 -5.964 -0.278 12.028 1.00 2.12 N ATOM 699 CZ ARG A 45 -6.405 -0.136 13.250 1.00 2.52 C ATOM 700 NH1 ARG A 45 -5.686 -0.548 14.259 1.00 2.86 N ATOM 701 NH2 ARG A 45 -7.564 0.423 13.462 1.00 2.99 N ATOM 0 H ARG A 45 0.062 -0.797 12.645 1.00 0.97 H new ATOM 0 HA ARG A 45 -2.352 -2.478 11.988 1.00 1.15 H new ATOM 0 HB2 ARG A 45 -2.698 -0.837 13.735 1.00 1.37 H new ATOM 0 HB3 ARG A 45 -1.657 0.338 12.956 1.00 1.37 H new ATOM 0 HG2 ARG A 45 -4.058 0.952 12.680 1.00 1.58 H new ATOM 0 HG3 ARG A 45 -3.308 0.645 11.127 1.00 1.58 H new ATOM 0 HD2 ARG A 45 -4.567 -1.287 10.755 1.00 1.82 H new ATOM 0 HD3 ARG A 45 -4.495 -1.783 12.434 1.00 1.82 H new ATOM 0 HE ARG A 45 -6.524 0.054 11.243 1.00 2.12 H new ATOM 0 HH11 ARG A 45 -4.778 -0.982 14.095 1.00 2.86 H new ATOM 0 HH12 ARG A 45 -6.033 -0.436 15.212 1.00 2.86 H new ATOM 0 HH21 ARG A 45 -8.125 0.749 12.675 1.00 2.99 H new ATOM 0 HH22 ARG A 45 -7.910 0.535 14.415 1.00 2.99 H new ATOM 715 N GLY A 46 -1.019 -0.243 9.996 1.00 1.00 N ATOM 716 CA GLY A 46 -0.972 0.128 8.552 1.00 1.10 C ATOM 717 C GLY A 46 -0.555 -1.090 7.724 1.00 0.94 C ATOM 718 O GLY A 46 -1.045 -1.309 6.634 1.00 1.02 O ATOM 0 H GLY A 46 -0.380 0.277 10.597 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.949 0.485 8.226 1.00 1.10 H new ATOM 0 HA3 GLY A 46 -0.266 0.944 8.398 1.00 1.10 H new ATOM 722 N GLY A 47 0.333 -1.896 8.242 1.00 0.78 N ATOM 723 CA GLY A 47 0.766 -3.113 7.495 1.00 0.73 C ATOM 724 C GLY A 47 -0.380 -4.129 7.454 1.00 0.70 C ATOM 725 O GLY A 47 -0.258 -5.195 6.883 1.00 0.96 O ATOM 0 H GLY A 47 0.778 -1.764 9.151 1.00 0.78 H new ATOM 0 HA2 GLY A 47 1.062 -2.843 6.481 1.00 0.73 H new ATOM 0 HA3 GLY A 47 1.639 -3.555 7.975 1.00 0.73 H new ATOM 729 N ASP A 48 -1.499 -3.797 8.034 1.00 0.59 N ATOM 730 CA ASP A 48 -2.663 -4.722 8.011 1.00 0.59 C ATOM 731 C ASP A 48 -3.894 -3.993 8.545 1.00 0.56 C ATOM 732 O ASP A 48 -4.250 -4.107 9.701 1.00 0.65 O ATOM 733 CB ASP A 48 -2.277 -5.878 8.935 1.00 0.67 C ATOM 734 CG ASP A 48 -3.388 -6.930 8.926 1.00 0.89 C ATOM 735 OD1 ASP A 48 -4.499 -6.587 8.555 1.00 1.54 O ATOM 736 OD2 ASP A 48 -3.110 -8.060 9.291 1.00 1.43 O ATOM 0 H ASP A 48 -1.657 -2.918 8.526 1.00 0.59 H new ATOM 0 HA ASP A 48 -2.900 -5.077 7.008 1.00 0.59 H new ATOM 0 HB2 ASP A 48 -1.338 -6.323 8.606 1.00 0.67 H new ATOM 0 HB3 ASP A 48 -2.118 -5.510 9.949 1.00 0.67 H new ATOM 741 N LEU A 49 -4.486 -3.169 7.727 1.00 0.52 N ATOM 742 CA LEU A 49 -5.630 -2.336 8.194 1.00 0.56 C ATOM 743 C LEU A 49 -6.927 -3.144 8.143 1.00 0.58 C ATOM 744 O LEU A 49 -7.985 -2.663 8.498 1.00 0.71 O ATOM 745 CB LEU A 49 -5.688 -1.167 7.210 1.00 0.56 C ATOM 746 CG LEU A 49 -4.437 -0.298 7.372 1.00 0.59 C ATOM 747 CD1 LEU A 49 -4.033 0.275 6.011 1.00 0.65 C ATOM 748 CD2 LEU A 49 -4.738 0.851 8.336 1.00 0.63 C ATOM 0 H LEU A 49 -4.226 -3.036 6.750 1.00 0.52 H new ATOM 0 HA LEU A 49 -5.507 -2.000 9.224 1.00 0.56 H new ATOM 0 HB2 LEU A 49 -5.754 -1.541 6.188 1.00 0.56 H new ATOM 0 HB3 LEU A 49 -6.583 -0.571 7.389 1.00 0.56 H new ATOM 0 HG LEU A 49 -3.622 -0.904 7.768 1.00 0.59 H new ATOM 0 HD11 LEU A 49 -3.143 0.893 6.126 1.00 0.65 H new ATOM 0 HD12 LEU A 49 -3.821 -0.542 5.321 1.00 0.65 H new ATOM 0 HD13 LEU A 49 -4.848 0.882 5.615 1.00 0.65 H new ATOM 0 HD21 LEU A 49 -3.849 1.471 8.453 1.00 0.63 H new ATOM 0 HD22 LEU A 49 -5.552 1.456 7.938 1.00 0.63 H new ATOM 0 HD23 LEU A 49 -5.028 0.446 9.306 1.00 0.63 H new ATOM 760 N GLY A 50 -6.866 -4.348 7.645 1.00 0.57 N ATOM 761 CA GLY A 50 -8.107 -5.157 7.505 1.00 0.61 C ATOM 762 C GLY A 50 -8.977 -4.552 6.403 1.00 0.52 C ATOM 763 O GLY A 50 -8.490 -4.166 5.358 1.00 0.50 O ATOM 0 H GLY A 50 -6.011 -4.805 7.329 1.00 0.57 H new ATOM 0 HA2 GLY A 50 -7.857 -6.190 7.262 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -8.653 -5.174 8.448 1.00 0.61 H new ATOM 767 N GLU A 51 -10.260 -4.465 6.627 1.00 0.56 N ATOM 768 CA GLU A 51 -11.159 -3.885 5.589 1.00 0.54 C ATOM 769 C GLU A 51 -11.581 -2.464 5.972 1.00 0.60 C ATOM 770 O GLU A 51 -11.976 -2.199 7.090 1.00 0.75 O ATOM 771 CB GLU A 51 -12.372 -4.813 5.546 1.00 0.62 C ATOM 772 CG GLU A 51 -12.248 -5.751 4.344 1.00 0.90 C ATOM 773 CD GLU A 51 -12.988 -7.058 4.638 1.00 1.22 C ATOM 774 OE1 GLU A 51 -13.167 -7.365 5.805 1.00 1.73 O ATOM 775 OE2 GLU A 51 -13.365 -7.728 3.690 1.00 1.73 O ATOM 0 H GLU A 51 -10.724 -4.770 7.483 1.00 0.56 H new ATOM 0 HA GLU A 51 -10.666 -3.813 4.619 1.00 0.54 H new ATOM 0 HB2 GLU A 51 -12.435 -5.391 6.468 1.00 0.62 H new ATOM 0 HB3 GLU A 51 -13.289 -4.229 5.473 1.00 0.62 H new ATOM 0 HG2 GLU A 51 -12.664 -5.277 3.455 1.00 0.90 H new ATOM 0 HG3 GLU A 51 -11.198 -5.954 4.135 1.00 0.90 H new ATOM 782 N PHE A 52 -11.536 -1.562 5.033 1.00 0.56 N ATOM 783 CA PHE A 52 -11.972 -0.162 5.307 1.00 0.64 C ATOM 784 C PHE A 52 -12.584 0.442 4.041 1.00 0.66 C ATOM 785 O PHE A 52 -12.370 -0.044 2.948 1.00 0.76 O ATOM 786 CB PHE A 52 -10.696 0.583 5.698 1.00 0.75 C ATOM 787 CG PHE A 52 -9.639 0.358 4.644 1.00 0.58 C ATOM 788 CD1 PHE A 52 -9.826 0.857 3.348 1.00 0.74 C ATOM 789 CD2 PHE A 52 -8.473 -0.351 4.959 1.00 0.70 C ATOM 790 CE1 PHE A 52 -8.848 0.646 2.370 1.00 0.92 C ATOM 791 CE2 PHE A 52 -7.495 -0.561 3.980 1.00 0.79 C ATOM 792 CZ PHE A 52 -7.683 -0.063 2.685 1.00 0.89 C ATOM 0 H PHE A 52 -11.214 -1.734 4.081 1.00 0.56 H new ATOM 0 HA PHE A 52 -12.727 -0.103 6.091 1.00 0.64 H new ATOM 0 HB2 PHE A 52 -10.901 1.649 5.801 1.00 0.75 H new ATOM 0 HB3 PHE A 52 -10.340 0.232 6.666 1.00 0.75 H new ATOM 0 HD1 PHE A 52 -10.725 1.404 3.104 1.00 0.74 H new ATOM 0 HD2 PHE A 52 -8.328 -0.736 5.958 1.00 0.70 H new ATOM 0 HE1 PHE A 52 -8.992 1.031 1.371 1.00 0.92 H new ATOM 0 HE2 PHE A 52 -6.596 -1.107 4.223 1.00 0.79 H new ATOM 0 HZ PHE A 52 -6.929 -0.226 1.929 1.00 0.89 H new ATOM 802 N ARG A 53 -13.362 1.479 4.177 1.00 0.76 N ATOM 803 CA ARG A 53 -14.004 2.089 2.977 1.00 0.94 C ATOM 804 C ARG A 53 -13.106 3.179 2.381 1.00 1.40 C ATOM 805 O ARG A 53 -12.085 3.530 2.936 1.00 2.06 O ATOM 806 CB ARG A 53 -15.318 2.685 3.483 1.00 1.28 C ATOM 807 CG ARG A 53 -15.040 3.643 4.642 1.00 1.82 C ATOM 808 CD ARG A 53 -16.264 4.531 4.863 1.00 2.31 C ATOM 809 NE ARG A 53 -16.066 5.679 3.932 1.00 3.04 N ATOM 810 CZ ARG A 53 -17.062 6.147 3.224 1.00 3.59 C ATOM 811 NH1 ARG A 53 -18.260 5.637 3.337 1.00 3.95 N ATOM 812 NH2 ARG A 53 -16.858 7.139 2.401 1.00 4.13 N ATOM 0 H ARG A 53 -13.582 1.931 5.065 1.00 0.76 H new ATOM 0 HA ARG A 53 -14.170 1.357 2.187 1.00 0.94 H new ATOM 0 HB2 ARG A 53 -15.823 3.214 2.675 1.00 1.28 H new ATOM 0 HB3 ARG A 53 -15.987 1.889 3.810 1.00 1.28 H new ATOM 0 HG2 ARG A 53 -14.815 3.081 5.548 1.00 1.82 H new ATOM 0 HG3 ARG A 53 -14.166 4.256 4.422 1.00 1.82 H new ATOM 0 HD2 ARG A 53 -17.188 3.996 4.642 1.00 2.31 H new ATOM 0 HD3 ARG A 53 -16.329 4.866 5.898 1.00 2.31 H new ATOM 0 HE ARG A 53 -15.143 6.105 3.846 1.00 3.04 H new ATOM 0 HH11 ARG A 53 -18.427 4.865 3.983 1.00 3.95 H new ATOM 0 HH12 ARG A 53 -19.028 6.011 2.780 1.00 3.95 H new ATOM 0 HH21 ARG A 53 -15.926 7.545 2.312 1.00 4.13 H new ATOM 0 HH22 ARG A 53 -17.630 7.508 1.846 1.00 4.13 H new ATOM 826 N GLN A 54 -13.446 3.665 1.219 1.00 1.78 N ATOM 827 CA GLN A 54 -12.579 4.676 0.541 1.00 2.55 C ATOM 828 C GLN A 54 -12.451 5.939 1.399 1.00 2.55 C ATOM 829 O GLN A 54 -11.641 6.803 1.129 1.00 2.96 O ATOM 830 CB GLN A 54 -13.302 4.997 -0.766 1.00 3.32 C ATOM 831 CG GLN A 54 -14.629 5.693 -0.453 1.00 3.50 C ATOM 832 CD GLN A 54 -15.424 5.886 -1.746 1.00 4.42 C ATOM 833 OE1 GLN A 54 -15.422 5.031 -2.608 1.00 4.80 O ATOM 834 NE2 GLN A 54 -16.112 6.983 -1.916 1.00 5.04 N ATOM 0 H GLN A 54 -14.289 3.406 0.707 1.00 1.78 H new ATOM 0 HA GLN A 54 -11.568 4.303 0.376 1.00 2.55 H new ATOM 0 HB2 GLN A 54 -12.680 5.638 -1.391 1.00 3.32 H new ATOM 0 HB3 GLN A 54 -13.482 4.082 -1.329 1.00 3.32 H new ATOM 0 HG2 GLN A 54 -15.206 5.098 0.255 1.00 3.50 H new ATOM 0 HG3 GLN A 54 -14.443 6.658 0.019 1.00 3.50 H new ATOM 0 HE21 GLN A 54 -16.114 7.701 -1.192 1.00 5.04 H new ATOM 0 HE22 GLN A 54 -16.648 7.121 -2.773 1.00 5.04 H new ATOM 843 N GLY A 55 -13.290 6.085 2.386 1.00 2.56 N ATOM 844 CA GLY A 55 -13.267 7.329 3.206 1.00 2.84 C ATOM 845 C GLY A 55 -12.570 7.049 4.540 1.00 2.03 C ATOM 846 O GLY A 55 -13.147 7.216 5.596 1.00 2.55 O ATOM 0 H GLY A 55 -13.991 5.397 2.661 1.00 2.56 H new ATOM 0 HA2 GLY A 55 -12.744 8.121 2.670 1.00 2.84 H new ATOM 0 HA3 GLY A 55 -14.284 7.680 3.382 1.00 2.84 H new ATOM 850 N GLN A 56 -11.327 6.649 4.507 1.00 1.30 N ATOM 851 CA GLN A 56 -10.600 6.391 5.783 1.00 1.10 C ATOM 852 C GLN A 56 -9.232 7.052 5.737 1.00 1.36 C ATOM 853 O GLN A 56 -8.825 7.728 6.660 1.00 1.92 O ATOM 854 CB GLN A 56 -10.395 4.877 5.860 1.00 1.55 C ATOM 855 CG GLN A 56 -11.637 4.127 5.367 1.00 1.14 C ATOM 856 CD GLN A 56 -12.547 3.808 6.552 1.00 1.39 C ATOM 857 OE1 GLN A 56 -12.402 2.783 7.186 1.00 2.02 O ATOM 858 NE2 GLN A 56 -13.483 4.651 6.879 1.00 1.89 N ATOM 0 H GLN A 56 -10.786 6.491 3.657 1.00 1.30 H new ATOM 0 HA GLN A 56 -11.157 6.780 6.635 1.00 1.10 H new ATOM 0 HB2 GLN A 56 -9.532 4.593 5.258 1.00 1.55 H new ATOM 0 HB3 GLN A 56 -10.176 4.588 6.888 1.00 1.55 H new ATOM 0 HG2 GLN A 56 -12.173 4.732 4.636 1.00 1.14 H new ATOM 0 HG3 GLN A 56 -11.342 3.206 4.864 1.00 1.14 H new ATOM 0 HE21 GLN A 56 -13.603 5.512 6.345 1.00 1.89 H new ATOM 0 HE22 GLN A 56 -14.096 4.451 7.669 1.00 1.89 H new ATOM 867 N MET A 57 -8.429 6.620 4.807 1.00 1.85 N ATOM 868 CA MET A 57 -6.986 6.961 4.876 1.00 2.75 C ATOM 869 C MET A 57 -6.616 8.024 3.835 1.00 2.29 C ATOM 870 O MET A 57 -6.089 9.067 4.168 1.00 2.75 O ATOM 871 CB MET A 57 -6.258 5.647 4.590 1.00 3.57 C ATOM 872 CG MET A 57 -5.014 5.551 5.476 1.00 4.72 C ATOM 873 SD MET A 57 -4.354 3.866 5.416 1.00 5.92 S ATOM 874 CE MET A 57 -3.886 3.861 3.668 1.00 6.22 C ATOM 0 H MET A 57 -8.708 6.050 4.009 1.00 1.85 H new ATOM 0 HA MET A 57 -6.716 7.381 5.845 1.00 2.75 H new ATOM 0 HB2 MET A 57 -6.920 4.803 4.781 1.00 3.57 H new ATOM 0 HB3 MET A 57 -5.974 5.597 3.539 1.00 3.57 H new ATOM 0 HG2 MET A 57 -4.259 6.260 5.138 1.00 4.72 H new ATOM 0 HG3 MET A 57 -5.265 5.818 6.503 1.00 4.72 H new ATOM 0 HE1 MET A 57 -2.967 3.289 3.539 1.00 6.22 H new ATOM 0 HE2 MET A 57 -4.682 3.405 3.079 1.00 6.22 H new ATOM 0 HE3 MET A 57 -3.727 4.885 3.331 1.00 6.22 H new ATOM 884 N VAL A 58 -6.704 7.689 2.575 1.00 1.78 N ATOM 885 CA VAL A 58 -6.149 8.598 1.529 1.00 1.36 C ATOM 886 C VAL A 58 -6.877 8.391 0.191 1.00 1.12 C ATOM 887 O VAL A 58 -7.155 7.275 -0.198 1.00 1.15 O ATOM 888 CB VAL A 58 -4.679 8.181 1.432 1.00 1.26 C ATOM 889 CG1 VAL A 58 -4.602 6.668 1.253 1.00 1.31 C ATOM 890 CG2 VAL A 58 -4.011 8.860 0.240 1.00 0.95 C ATOM 0 H VAL A 58 -7.133 6.832 2.226 1.00 1.78 H new ATOM 0 HA VAL A 58 -6.268 9.654 1.771 1.00 1.36 H new ATOM 0 HB VAL A 58 -4.164 8.481 2.344 1.00 1.26 H new ATOM 0 HG11 VAL A 58 -3.558 6.363 1.183 1.00 1.31 H new ATOM 0 HG12 VAL A 58 -5.067 6.176 2.107 1.00 1.31 H new ATOM 0 HG13 VAL A 58 -5.126 6.382 0.341 1.00 1.31 H new ATOM 0 HG21 VAL A 58 -2.966 8.553 0.185 1.00 0.95 H new ATOM 0 HG22 VAL A 58 -4.523 8.571 -0.678 1.00 0.95 H new ATOM 0 HG23 VAL A 58 -4.066 9.942 0.360 1.00 0.95 H new ATOM 900 N PRO A 59 -7.170 9.488 -0.462 1.00 1.09 N ATOM 901 CA PRO A 59 -7.887 9.448 -1.768 1.00 1.15 C ATOM 902 C PRO A 59 -7.110 8.614 -2.788 1.00 0.91 C ATOM 903 O PRO A 59 -7.642 7.697 -3.375 1.00 0.99 O ATOM 904 CB PRO A 59 -7.958 10.914 -2.202 1.00 1.34 C ATOM 905 CG PRO A 59 -6.995 11.648 -1.318 1.00 1.22 C ATOM 906 CD PRO A 59 -6.863 10.855 -0.047 1.00 1.19 C ATOM 0 HA PRO A 59 -8.872 8.989 -1.691 1.00 1.15 H new ATOM 0 HB2 PRO A 59 -7.687 11.025 -3.252 1.00 1.34 H new ATOM 0 HB3 PRO A 59 -8.969 11.307 -2.090 1.00 1.34 H new ATOM 0 HG2 PRO A 59 -6.027 11.753 -1.808 1.00 1.22 H new ATOM 0 HG3 PRO A 59 -7.357 12.654 -1.107 1.00 1.22 H new ATOM 0 HD2 PRO A 59 -5.859 10.931 0.371 1.00 1.19 H new ATOM 0 HD3 PRO A 59 -7.555 11.207 0.719 1.00 1.19 H new ATOM 914 N ALA A 60 -5.850 8.905 -2.976 1.00 0.74 N ATOM 915 CA ALA A 60 -5.021 8.099 -3.924 1.00 0.69 C ATOM 916 C ALA A 60 -5.439 6.624 -3.881 1.00 0.56 C ATOM 917 O ALA A 60 -5.390 5.927 -4.875 1.00 0.61 O ATOM 918 CB ALA A 60 -3.583 8.264 -3.428 1.00 0.72 C ATOM 0 H ALA A 60 -5.356 9.668 -2.513 1.00 0.74 H new ATOM 0 HA ALA A 60 -5.139 8.429 -4.956 1.00 0.69 H new ATOM 0 HB1 ALA A 60 -2.909 7.701 -4.073 1.00 0.72 H new ATOM 0 HB2 ALA A 60 -3.309 9.319 -3.450 1.00 0.72 H new ATOM 0 HB3 ALA A 60 -3.505 7.890 -2.407 1.00 0.72 H new ATOM 924 N PHE A 61 -5.920 6.164 -2.756 1.00 0.53 N ATOM 925 CA PHE A 61 -6.422 4.761 -2.675 1.00 0.58 C ATOM 926 C PHE A 61 -7.538 4.540 -3.700 1.00 0.56 C ATOM 927 O PHE A 61 -7.569 3.543 -4.393 1.00 0.57 O ATOM 928 CB PHE A 61 -6.969 4.619 -1.256 1.00 0.78 C ATOM 929 CG PHE A 61 -7.712 3.309 -1.138 1.00 0.88 C ATOM 930 CD1 PHE A 61 -9.082 3.258 -1.425 1.00 0.97 C ATOM 931 CD2 PHE A 61 -7.034 2.146 -0.751 1.00 1.03 C ATOM 932 CE1 PHE A 61 -9.775 2.046 -1.324 1.00 1.09 C ATOM 933 CE2 PHE A 61 -7.727 0.933 -0.649 1.00 1.18 C ATOM 934 CZ PHE A 61 -9.098 0.883 -0.937 1.00 1.15 C ATOM 0 H PHE A 61 -5.987 6.699 -1.890 1.00 0.53 H new ATOM 0 HA PHE A 61 -5.642 4.030 -2.889 1.00 0.58 H new ATOM 0 HB2 PHE A 61 -6.153 4.654 -0.534 1.00 0.78 H new ATOM 0 HB3 PHE A 61 -7.635 5.450 -1.025 1.00 0.78 H new ATOM 0 HD1 PHE A 61 -9.604 4.155 -1.725 1.00 0.97 H new ATOM 0 HD2 PHE A 61 -5.977 2.185 -0.531 1.00 1.03 H new ATOM 0 HE1 PHE A 61 -10.832 2.008 -1.545 1.00 1.09 H new ATOM 0 HE2 PHE A 61 -7.205 0.036 -0.349 1.00 1.18 H new ATOM 0 HZ PHE A 61 -9.632 -0.053 -0.860 1.00 1.15 H new ATOM 944 N ASP A 62 -8.404 5.499 -3.864 1.00 0.68 N ATOM 945 CA ASP A 62 -9.447 5.380 -4.919 1.00 0.84 C ATOM 946 C ASP A 62 -8.783 5.245 -6.288 1.00 0.81 C ATOM 947 O ASP A 62 -9.223 4.486 -7.127 1.00 0.84 O ATOM 948 CB ASP A 62 -10.245 6.683 -4.831 1.00 1.07 C ATOM 949 CG ASP A 62 -11.359 6.676 -5.880 1.00 1.30 C ATOM 950 OD1 ASP A 62 -11.087 7.058 -7.006 1.00 1.88 O ATOM 951 OD2 ASP A 62 -12.466 6.295 -5.538 1.00 1.75 O ATOM 0 H ASP A 62 -8.435 6.358 -3.315 1.00 0.68 H new ATOM 0 HA ASP A 62 -10.084 4.506 -4.784 1.00 0.84 H new ATOM 0 HB2 ASP A 62 -10.672 6.793 -3.834 1.00 1.07 H new ATOM 0 HB3 ASP A 62 -9.586 7.536 -4.992 1.00 1.07 H new ATOM 956 N LYS A 63 -7.737 5.988 -6.528 1.00 0.82 N ATOM 957 CA LYS A 63 -7.068 5.903 -7.859 1.00 0.92 C ATOM 958 C LYS A 63 -6.566 4.476 -8.119 1.00 0.78 C ATOM 959 O LYS A 63 -6.812 3.906 -9.162 1.00 0.87 O ATOM 960 CB LYS A 63 -5.892 6.878 -7.786 1.00 1.05 C ATOM 961 CG LYS A 63 -6.422 8.312 -7.716 1.00 1.57 C ATOM 962 CD LYS A 63 -5.245 9.290 -7.683 1.00 2.18 C ATOM 963 CE LYS A 63 -5.770 10.719 -7.525 1.00 2.99 C ATOM 964 NZ LYS A 63 -6.798 10.875 -8.592 1.00 3.70 N ATOM 0 H LYS A 63 -7.319 6.644 -5.868 1.00 0.82 H new ATOM 0 HA LYS A 63 -7.751 6.151 -8.671 1.00 0.92 H new ATOM 0 HB2 LYS A 63 -5.280 6.662 -6.910 1.00 1.05 H new ATOM 0 HB3 LYS A 63 -5.251 6.758 -8.660 1.00 1.05 H new ATOM 0 HG2 LYS A 63 -7.057 8.519 -8.578 1.00 1.57 H new ATOM 0 HG3 LYS A 63 -7.040 8.440 -6.827 1.00 1.57 H new ATOM 0 HD2 LYS A 63 -4.577 9.044 -6.857 1.00 2.18 H new ATOM 0 HD3 LYS A 63 -4.662 9.205 -8.600 1.00 2.18 H new ATOM 0 HE2 LYS A 63 -6.202 10.873 -6.536 1.00 2.99 H new ATOM 0 HE3 LYS A 63 -4.968 11.449 -7.640 1.00 2.99 H new ATOM 0 HZ1 LYS A 63 -6.884 11.880 -8.847 1.00 3.70 H new ATOM 0 HZ2 LYS A 63 -6.514 10.328 -9.430 1.00 3.70 H new ATOM 0 HZ3 LYS A 63 -7.714 10.526 -8.245 1.00 3.70 H new ATOM 978 N VAL A 64 -5.846 3.902 -7.189 1.00 0.64 N ATOM 979 CA VAL A 64 -5.315 2.520 -7.413 1.00 0.63 C ATOM 980 C VAL A 64 -6.448 1.493 -7.370 1.00 0.51 C ATOM 981 O VAL A 64 -6.590 0.686 -8.267 1.00 0.56 O ATOM 982 CB VAL A 64 -4.307 2.259 -6.288 1.00 0.69 C ATOM 983 CG1 VAL A 64 -4.985 2.398 -4.922 1.00 0.93 C ATOM 984 CG2 VAL A 64 -3.756 0.838 -6.428 1.00 1.19 C ATOM 0 H VAL A 64 -5.604 4.324 -6.292 1.00 0.64 H new ATOM 0 HA VAL A 64 -4.845 2.433 -8.392 1.00 0.63 H new ATOM 0 HB VAL A 64 -3.499 2.987 -6.361 1.00 0.69 H new ATOM 0 HG11 VAL A 64 -4.256 2.210 -4.133 1.00 0.93 H new ATOM 0 HG12 VAL A 64 -5.384 3.407 -4.815 1.00 0.93 H new ATOM 0 HG13 VAL A 64 -5.798 1.676 -4.844 1.00 0.93 H new ATOM 0 HG21 VAL A 64 -3.038 0.646 -5.631 1.00 1.19 H new ATOM 0 HG22 VAL A 64 -4.575 0.122 -6.359 1.00 1.19 H new ATOM 0 HG23 VAL A 64 -3.262 0.733 -7.394 1.00 1.19 H new ATOM 994 N VAL A 65 -7.306 1.560 -6.390 1.00 0.46 N ATOM 995 CA VAL A 65 -8.473 0.632 -6.380 1.00 0.55 C ATOM 996 C VAL A 65 -9.217 0.738 -7.717 1.00 0.58 C ATOM 997 O VAL A 65 -9.739 -0.232 -8.230 1.00 0.65 O ATOM 998 CB VAL A 65 -9.345 1.084 -5.198 1.00 0.69 C ATOM 999 CG1 VAL A 65 -10.597 1.817 -5.695 1.00 0.92 C ATOM 1000 CG2 VAL A 65 -9.768 -0.148 -4.393 1.00 0.98 C ATOM 0 H VAL A 65 -7.252 2.208 -5.604 1.00 0.46 H new ATOM 0 HA VAL A 65 -8.187 -0.413 -6.264 1.00 0.55 H new ATOM 0 HB VAL A 65 -8.768 1.766 -4.574 1.00 0.69 H new ATOM 0 HG11 VAL A 65 -11.199 2.128 -4.841 1.00 0.92 H new ATOM 0 HG12 VAL A 65 -10.301 2.695 -6.269 1.00 0.92 H new ATOM 0 HG13 VAL A 65 -11.182 1.150 -6.328 1.00 0.92 H new ATOM 0 HG21 VAL A 65 -10.387 0.162 -3.552 1.00 0.98 H new ATOM 0 HG22 VAL A 65 -10.337 -0.823 -5.033 1.00 0.98 H new ATOM 0 HG23 VAL A 65 -8.881 -0.662 -4.021 1.00 0.98 H new ATOM 1010 N PHE A 66 -9.175 1.891 -8.329 1.00 0.64 N ATOM 1011 CA PHE A 66 -9.773 2.045 -9.686 1.00 0.79 C ATOM 1012 C PHE A 66 -8.685 1.890 -10.754 1.00 0.83 C ATOM 1013 O PHE A 66 -8.949 1.933 -11.939 1.00 0.96 O ATOM 1014 CB PHE A 66 -10.356 3.459 -9.702 1.00 0.94 C ATOM 1015 CG PHE A 66 -11.739 3.441 -9.095 1.00 1.18 C ATOM 1016 CD1 PHE A 66 -12.642 2.426 -9.435 1.00 1.58 C ATOM 1017 CD2 PHE A 66 -12.118 4.443 -8.193 1.00 1.61 C ATOM 1018 CE1 PHE A 66 -13.924 2.411 -8.871 1.00 2.13 C ATOM 1019 CE2 PHE A 66 -13.400 4.429 -7.630 1.00 2.12 C ATOM 1020 CZ PHE A 66 -14.303 3.413 -7.969 1.00 2.30 C ATOM 0 H PHE A 66 -8.751 2.736 -7.946 1.00 0.64 H new ATOM 0 HA PHE A 66 -10.534 1.294 -9.898 1.00 0.79 H new ATOM 0 HB2 PHE A 66 -9.711 4.136 -9.143 1.00 0.94 H new ATOM 0 HB3 PHE A 66 -10.401 3.834 -10.725 1.00 0.94 H new ATOM 0 HD1 PHE A 66 -12.350 1.655 -10.132 1.00 1.58 H new ATOM 0 HD2 PHE A 66 -11.422 5.226 -7.932 1.00 1.61 H new ATOM 0 HE1 PHE A 66 -14.620 1.627 -9.132 1.00 2.13 H new ATOM 0 HE2 PHE A 66 -13.693 5.202 -6.934 1.00 2.12 H new ATOM 0 HZ PHE A 66 -15.292 3.402 -7.535 1.00 2.30 H new ATOM 1030 N SER A 67 -7.482 1.607 -10.335 1.00 0.79 N ATOM 1031 CA SER A 67 -6.389 1.325 -11.306 1.00 0.89 C ATOM 1032 C SER A 67 -6.275 -0.185 -11.523 1.00 0.83 C ATOM 1033 O SER A 67 -6.703 -0.710 -12.531 1.00 0.97 O ATOM 1034 CB SER A 67 -5.121 1.870 -10.645 1.00 0.97 C ATOM 1035 OG SER A 67 -4.049 1.831 -11.575 1.00 1.23 O ATOM 0 H SER A 67 -7.208 1.559 -9.354 1.00 0.79 H new ATOM 0 HA SER A 67 -6.564 1.782 -12.280 1.00 0.89 H new ATOM 0 HB2 SER A 67 -5.285 2.893 -10.306 1.00 0.97 H new ATOM 0 HB3 SER A 67 -4.874 1.278 -9.764 1.00 0.97 H new ATOM 0 HG SER A 67 -3.237 2.181 -11.153 1.00 1.23 H new ATOM 1041 N CYS A 68 -5.805 -0.900 -10.535 1.00 0.74 N ATOM 1042 CA CYS A 68 -5.790 -2.388 -10.637 1.00 0.77 C ATOM 1043 C CYS A 68 -6.885 -2.984 -9.747 1.00 0.76 C ATOM 1044 O CYS A 68 -7.152 -2.485 -8.673 1.00 0.80 O ATOM 1045 CB CYS A 68 -4.406 -2.808 -10.141 1.00 0.85 C ATOM 1046 SG CYS A 68 -3.137 -2.063 -11.194 1.00 1.83 S ATOM 0 H CYS A 68 -5.432 -0.519 -9.665 1.00 0.74 H new ATOM 0 HA CYS A 68 -5.978 -2.736 -11.653 1.00 0.77 H new ATOM 0 HB2 CYS A 68 -4.267 -2.492 -9.107 1.00 0.85 H new ATOM 0 HB3 CYS A 68 -4.316 -3.894 -10.158 1.00 0.85 H new ATOM 0 HG CYS A 68 -1.979 -2.580 -10.909 1.00 1.83 H new ATOM 1052 N PRO A 69 -7.493 -4.031 -10.235 1.00 0.86 N ATOM 1053 CA PRO A 69 -8.583 -4.697 -9.482 1.00 0.96 C ATOM 1054 C PRO A 69 -8.020 -5.436 -8.266 1.00 1.01 C ATOM 1055 O PRO A 69 -6.835 -5.691 -8.175 1.00 1.64 O ATOM 1056 CB PRO A 69 -9.172 -5.684 -10.487 1.00 1.05 C ATOM 1057 CG PRO A 69 -8.089 -5.918 -11.494 1.00 1.19 C ATOM 1058 CD PRO A 69 -7.224 -4.684 -11.521 1.00 1.01 C ATOM 0 HA PRO A 69 -9.323 -3.995 -9.099 1.00 0.96 H new ATOM 0 HB2 PRO A 69 -9.463 -6.614 -10.000 1.00 1.05 H new ATOM 0 HB3 PRO A 69 -10.067 -5.278 -10.959 1.00 1.05 H new ATOM 0 HG2 PRO A 69 -7.499 -6.794 -11.226 1.00 1.19 H new ATOM 0 HG3 PRO A 69 -8.515 -6.109 -12.479 1.00 1.19 H new ATOM 0 HD2 PRO A 69 -6.169 -4.939 -11.626 1.00 1.01 H new ATOM 0 HD3 PRO A 69 -7.480 -4.036 -12.359 1.00 1.01 H new ATOM 1066 N VAL A 70 -8.865 -5.805 -7.345 1.00 0.88 N ATOM 1067 CA VAL A 70 -8.386 -6.555 -6.149 1.00 0.93 C ATOM 1068 C VAL A 70 -7.666 -7.835 -6.588 1.00 0.99 C ATOM 1069 O VAL A 70 -7.605 -8.150 -7.759 1.00 1.55 O ATOM 1070 CB VAL A 70 -9.656 -6.885 -5.364 1.00 1.11 C ATOM 1071 CG1 VAL A 70 -10.604 -7.696 -6.248 1.00 1.74 C ATOM 1072 CG2 VAL A 70 -9.297 -7.698 -4.118 1.00 1.62 C ATOM 0 H VAL A 70 -9.868 -5.620 -7.368 1.00 0.88 H new ATOM 0 HA VAL A 70 -7.676 -5.985 -5.550 1.00 0.93 H new ATOM 0 HB VAL A 70 -10.144 -5.959 -5.060 1.00 1.11 H new ATOM 0 HG11 VAL A 70 -11.510 -7.932 -5.689 1.00 1.74 H new ATOM 0 HG12 VAL A 70 -10.864 -7.114 -7.132 1.00 1.74 H new ATOM 0 HG13 VAL A 70 -10.115 -8.621 -6.553 1.00 1.74 H new ATOM 0 HG21 VAL A 70 -10.205 -7.931 -3.562 1.00 1.62 H new ATOM 0 HG22 VAL A 70 -8.807 -8.625 -4.417 1.00 1.62 H new ATOM 0 HG23 VAL A 70 -8.623 -7.118 -3.487 1.00 1.62 H new ATOM 1082 N LEU A 71 -7.023 -8.507 -5.670 1.00 0.88 N ATOM 1083 CA LEU A 71 -6.193 -9.691 -6.043 1.00 0.92 C ATOM 1084 C LEU A 71 -5.088 -9.271 -7.015 1.00 0.86 C ATOM 1085 O LEU A 71 -4.695 -10.020 -7.887 1.00 1.16 O ATOM 1086 CB LEU A 71 -7.153 -10.676 -6.715 1.00 1.05 C ATOM 1087 CG LEU A 71 -8.128 -11.231 -5.676 1.00 1.23 C ATOM 1088 CD1 LEU A 71 -9.470 -10.508 -5.802 1.00 1.28 C ATOM 1089 CD2 LEU A 71 -8.333 -12.728 -5.920 1.00 1.71 C ATOM 0 H LEU A 71 -7.037 -8.286 -4.674 1.00 0.88 H new ATOM 0 HA LEU A 71 -5.708 -10.137 -5.175 1.00 0.92 H new ATOM 0 HB2 LEU A 71 -7.702 -10.177 -7.514 1.00 1.05 H new ATOM 0 HB3 LEU A 71 -6.592 -11.490 -7.174 1.00 1.05 H new ATOM 0 HG LEU A 71 -7.722 -11.076 -4.676 1.00 1.23 H new ATOM 0 HD11 LEU A 71 -10.167 -10.902 -5.062 1.00 1.28 H new ATOM 0 HD12 LEU A 71 -9.326 -9.441 -5.632 1.00 1.28 H new ATOM 0 HD13 LEU A 71 -9.875 -10.665 -6.802 1.00 1.28 H new ATOM 0 HD21 LEU A 71 -9.028 -13.125 -5.180 1.00 1.71 H new ATOM 0 HD22 LEU A 71 -8.740 -12.881 -6.919 1.00 1.71 H new ATOM 0 HD23 LEU A 71 -7.377 -13.245 -5.834 1.00 1.71 H new ATOM 1101 N GLU A 72 -4.561 -8.089 -6.847 1.00 0.73 N ATOM 1102 CA GLU A 72 -3.455 -7.630 -7.734 1.00 0.75 C ATOM 1103 C GLU A 72 -2.743 -6.429 -7.103 1.00 0.68 C ATOM 1104 O GLU A 72 -3.175 -5.304 -7.253 1.00 0.76 O ATOM 1105 CB GLU A 72 -4.136 -7.227 -9.042 1.00 0.87 C ATOM 1106 CG GLU A 72 -3.178 -7.466 -10.211 1.00 1.32 C ATOM 1107 CD GLU A 72 -3.954 -7.399 -11.528 1.00 1.49 C ATOM 1108 OE1 GLU A 72 -5.164 -7.257 -11.473 1.00 1.98 O ATOM 1109 OE2 GLU A 72 -3.324 -7.491 -12.569 1.00 2.01 O ATOM 0 H GLU A 72 -4.849 -7.420 -6.133 1.00 0.73 H new ATOM 0 HA GLU A 72 -2.701 -8.401 -7.892 1.00 0.75 H new ATOM 0 HB2 GLU A 72 -5.049 -7.805 -9.182 1.00 0.87 H new ATOM 0 HB3 GLU A 72 -4.426 -6.177 -9.005 1.00 0.87 H new ATOM 0 HG2 GLU A 72 -2.386 -6.717 -10.205 1.00 1.32 H new ATOM 0 HG3 GLU A 72 -2.698 -8.439 -10.109 1.00 1.32 H new ATOM 1116 N PRO A 73 -1.695 -6.717 -6.379 1.00 0.62 N ATOM 1117 CA PRO A 73 -0.942 -5.652 -5.672 1.00 0.59 C ATOM 1118 C PRO A 73 -0.534 -4.546 -6.649 1.00 0.56 C ATOM 1119 O PRO A 73 -0.238 -4.798 -7.801 1.00 0.70 O ATOM 1120 CB PRO A 73 0.290 -6.367 -5.110 1.00 0.65 C ATOM 1121 CG PRO A 73 0.288 -7.741 -5.713 1.00 0.87 C ATOM 1122 CD PRO A 73 -1.118 -8.041 -6.154 1.00 0.72 C ATOM 0 HA PRO A 73 -1.530 -5.169 -4.892 1.00 0.59 H new ATOM 0 HB2 PRO A 73 1.203 -5.830 -5.368 1.00 0.65 H new ATOM 0 HB3 PRO A 73 0.247 -6.419 -4.022 1.00 0.65 H new ATOM 0 HG2 PRO A 73 0.973 -7.789 -6.559 1.00 0.87 H new ATOM 0 HG3 PRO A 73 0.627 -8.479 -4.986 1.00 0.87 H new ATOM 0 HD2 PRO A 73 -1.134 -8.645 -7.061 1.00 0.72 H new ATOM 0 HD3 PRO A 73 -1.668 -8.594 -5.393 1.00 0.72 H new ATOM 1130 N THR A 74 -0.538 -3.320 -6.203 1.00 0.47 N ATOM 1131 CA THR A 74 -0.176 -2.192 -7.109 1.00 0.47 C ATOM 1132 C THR A 74 0.683 -1.167 -6.363 1.00 0.43 C ATOM 1133 O THR A 74 0.480 -0.904 -5.194 1.00 0.45 O ATOM 1134 CB THR A 74 -1.513 -1.571 -7.518 1.00 0.55 C ATOM 1135 OG1 THR A 74 -2.214 -2.475 -8.361 1.00 0.64 O ATOM 1136 CG2 THR A 74 -1.263 -0.261 -8.265 1.00 0.57 C ATOM 0 H THR A 74 -0.777 -3.050 -5.249 1.00 0.47 H new ATOM 0 HA THR A 74 0.403 -2.524 -7.971 1.00 0.47 H new ATOM 0 HB THR A 74 -2.108 -1.369 -6.627 1.00 0.55 H new ATOM 0 HG1 THR A 74 -2.306 -2.084 -9.255 1.00 0.64 H new ATOM 0 HG21 THR A 74 -2.217 0.180 -8.556 1.00 0.57 H new ATOM 0 HG22 THR A 74 -0.726 0.431 -7.616 1.00 0.57 H new ATOM 0 HG23 THR A 74 -0.668 -0.458 -9.157 1.00 0.57 H new ATOM 1144 N GLY A 75 1.640 -0.583 -7.032 1.00 0.43 N ATOM 1145 CA GLY A 75 2.509 0.428 -6.365 1.00 0.42 C ATOM 1146 C GLY A 75 3.968 0.184 -6.761 1.00 0.46 C ATOM 1147 O GLY A 75 4.259 -0.724 -7.514 1.00 0.52 O ATOM 0 H GLY A 75 1.858 -0.763 -8.012 1.00 0.43 H new ATOM 0 HA2 GLY A 75 2.205 1.434 -6.656 1.00 0.42 H new ATOM 0 HA3 GLY A 75 2.398 0.362 -5.283 1.00 0.42 H new ATOM 1151 N PRO A 76 4.847 0.988 -6.217 1.00 0.46 N ATOM 1152 CA PRO A 76 4.432 2.082 -5.303 1.00 0.42 C ATOM 1153 C PRO A 76 3.779 3.223 -6.091 1.00 0.47 C ATOM 1154 O PRO A 76 4.234 3.597 -7.154 1.00 0.66 O ATOM 1155 CB PRO A 76 5.745 2.535 -4.669 1.00 0.44 C ATOM 1156 CG PRO A 76 6.807 2.150 -5.650 1.00 0.48 C ATOM 1157 CD PRO A 76 6.302 0.947 -6.407 1.00 0.53 C ATOM 0 HA PRO A 76 3.695 1.767 -4.565 1.00 0.42 H new ATOM 0 HB2 PRO A 76 5.745 3.610 -4.490 1.00 0.44 H new ATOM 0 HB3 PRO A 76 5.905 2.051 -3.705 1.00 0.44 H new ATOM 0 HG2 PRO A 76 7.017 2.974 -6.333 1.00 0.48 H new ATOM 0 HG3 PRO A 76 7.739 1.917 -5.136 1.00 0.48 H new ATOM 0 HD2 PRO A 76 6.568 1.000 -7.463 1.00 0.53 H new ATOM 0 HD3 PRO A 76 6.729 0.023 -6.017 1.00 0.53 H new ATOM 1165 N LEU A 77 2.692 3.753 -5.595 1.00 0.44 N ATOM 1166 CA LEU A 77 1.981 4.839 -6.334 1.00 0.48 C ATOM 1167 C LEU A 77 2.327 6.207 -5.737 1.00 0.43 C ATOM 1168 O LEU A 77 2.817 6.304 -4.630 1.00 0.45 O ATOM 1169 CB LEU A 77 0.494 4.535 -6.151 1.00 0.54 C ATOM 1170 CG LEU A 77 -0.335 5.597 -6.876 1.00 1.25 C ATOM 1171 CD1 LEU A 77 -0.102 5.482 -8.384 1.00 1.90 C ATOM 1172 CD2 LEU A 77 -1.819 5.382 -6.571 1.00 1.66 C ATOM 0 H LEU A 77 2.265 3.481 -4.709 1.00 0.44 H new ATOM 0 HA LEU A 77 2.265 4.874 -7.386 1.00 0.48 H new ATOM 0 HB2 LEU A 77 0.263 3.546 -6.545 1.00 0.54 H new ATOM 0 HB3 LEU A 77 0.242 4.522 -5.091 1.00 0.54 H new ATOM 0 HG LEU A 77 -0.035 6.588 -6.536 1.00 1.25 H new ATOM 0 HD11 LEU A 77 -0.692 6.238 -8.902 1.00 1.90 H new ATOM 0 HD12 LEU A 77 0.955 5.635 -8.602 1.00 1.90 H new ATOM 0 HD13 LEU A 77 -0.403 4.491 -8.724 1.00 1.90 H new ATOM 0 HD21 LEU A 77 -2.410 6.139 -7.087 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -2.121 4.391 -6.911 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -1.985 5.463 -5.497 1.00 1.66 H new ATOM 1184 N HIS A 78 2.122 7.261 -6.480 1.00 0.56 N ATOM 1185 CA HIS A 78 2.492 8.616 -5.976 1.00 0.56 C ATOM 1186 C HIS A 78 1.458 9.130 -4.970 1.00 0.57 C ATOM 1187 O HIS A 78 0.275 9.171 -5.247 1.00 0.65 O ATOM 1188 CB HIS A 78 2.506 9.511 -7.216 1.00 0.66 C ATOM 1189 CG HIS A 78 3.682 9.153 -8.081 1.00 1.16 C ATOM 1190 ND1 HIS A 78 5.030 9.352 -7.921 1.00 1.94 N flip ATOM 1191 CD2 HIS A 78 3.536 8.502 -9.295 1.00 1.85 C flip ATOM 1192 CE1 HIS A 78 5.713 8.834 -9.017 1.00 2.52 C flip ATOM 1193 NE2 HIS A 78 4.766 8.334 -9.814 1.00 2.46 N flip ATOM 0 H HIS A 78 1.714 7.243 -7.415 1.00 0.56 H new ATOM 0 HA HIS A 78 3.452 8.602 -5.460 1.00 0.56 H new ATOM 0 HB2 HIS A 78 1.579 9.389 -7.776 1.00 0.66 H new ATOM 0 HB3 HIS A 78 2.564 10.559 -6.921 1.00 0.66 H new ATOM 0 HD1 HIS A 78 5.465 9.810 -7.120 1.00 1.94 H new ATOM 0 HD2 HIS A 78 2.605 8.187 -9.743 1.00 1.85 H new ATOM 0 HE1 HIS A 78 6.780 8.836 -9.186 1.00 2.52 H new ATOM 1201 N THR A 79 1.913 9.655 -3.864 1.00 0.57 N ATOM 1202 CA THR A 79 0.977 10.322 -2.912 1.00 0.63 C ATOM 1203 C THR A 79 1.695 11.475 -2.202 1.00 0.67 C ATOM 1204 O THR A 79 2.907 11.542 -2.183 1.00 0.64 O ATOM 1205 CB THR A 79 0.568 9.235 -1.914 1.00 0.63 C ATOM 1206 OG1 THR A 79 -0.581 9.664 -1.193 1.00 0.74 O ATOM 1207 CG2 THR A 79 1.713 8.971 -0.936 1.00 0.62 C ATOM 0 H THR A 79 2.892 9.651 -3.578 1.00 0.57 H new ATOM 0 HA THR A 79 0.107 10.747 -3.413 1.00 0.63 H new ATOM 0 HB THR A 79 0.340 8.317 -2.456 1.00 0.63 H new ATOM 0 HG1 THR A 79 -0.505 9.381 -0.258 1.00 0.74 H new ATOM 0 HG21 THR A 79 1.416 8.197 -0.229 1.00 0.62 H new ATOM 0 HG22 THR A 79 2.593 8.640 -1.487 1.00 0.62 H new ATOM 0 HG23 THR A 79 1.947 9.887 -0.394 1.00 0.62 H new ATOM 1215 N GLN A 80 0.960 12.419 -1.681 1.00 0.76 N ATOM 1216 CA GLN A 80 1.610 13.609 -1.056 1.00 0.83 C ATOM 1217 C GLN A 80 2.513 13.185 0.109 1.00 0.79 C ATOM 1218 O GLN A 80 3.479 13.849 0.427 1.00 0.85 O ATOM 1219 CB GLN A 80 0.456 14.482 -0.554 1.00 0.97 C ATOM 1220 CG GLN A 80 -0.283 15.084 -1.750 1.00 1.86 C ATOM 1221 CD GLN A 80 -1.575 15.748 -1.269 1.00 2.14 C ATOM 1222 OE1 GLN A 80 -2.056 15.458 -0.192 1.00 2.09 O ATOM 1223 NE2 GLN A 80 -2.161 16.632 -2.029 1.00 3.01 N ATOM 0 H GLN A 80 -0.060 12.419 -1.660 1.00 0.76 H new ATOM 0 HA GLN A 80 2.245 14.142 -1.764 1.00 0.83 H new ATOM 0 HB2 GLN A 80 -0.230 13.886 0.049 1.00 0.97 H new ATOM 0 HB3 GLN A 80 0.838 15.275 0.088 1.00 0.97 H new ATOM 0 HG2 GLN A 80 0.350 15.816 -2.251 1.00 1.86 H new ATOM 0 HG3 GLN A 80 -0.511 14.307 -2.479 1.00 1.86 H new ATOM 0 HE21 GLN A 80 -1.757 16.875 -2.933 1.00 3.01 H new ATOM 0 HE22 GLN A 80 -3.023 17.080 -1.719 1.00 3.01 H new ATOM 1232 N PHE A 81 2.179 12.117 0.780 1.00 0.76 N ATOM 1233 CA PHE A 81 2.988 11.693 1.960 1.00 0.74 C ATOM 1234 C PHE A 81 4.252 10.951 1.512 1.00 0.64 C ATOM 1235 O PHE A 81 5.116 10.648 2.310 1.00 0.66 O ATOM 1236 CB PHE A 81 2.071 10.762 2.753 1.00 0.77 C ATOM 1237 CG PHE A 81 0.956 11.569 3.374 1.00 0.92 C ATOM 1238 CD1 PHE A 81 -0.238 11.772 2.672 1.00 0.97 C ATOM 1239 CD2 PHE A 81 1.118 12.117 4.653 1.00 1.09 C ATOM 1240 CE1 PHE A 81 -1.271 12.523 3.248 1.00 1.14 C ATOM 1241 CE2 PHE A 81 0.086 12.869 5.229 1.00 1.25 C ATOM 1242 CZ PHE A 81 -1.108 13.072 4.527 1.00 1.26 C ATOM 0 H PHE A 81 1.381 11.519 0.563 1.00 0.76 H new ATOM 0 HA PHE A 81 3.322 12.544 2.554 1.00 0.74 H new ATOM 0 HB2 PHE A 81 1.659 9.995 2.098 1.00 0.77 H new ATOM 0 HB3 PHE A 81 2.639 10.248 3.529 1.00 0.77 H new ATOM 0 HD1 PHE A 81 -0.363 11.350 1.686 1.00 0.97 H new ATOM 0 HD2 PHE A 81 2.039 11.960 5.195 1.00 1.09 H new ATOM 0 HE1 PHE A 81 -2.192 12.679 2.707 1.00 1.14 H new ATOM 0 HE2 PHE A 81 0.212 13.292 6.215 1.00 1.25 H new ATOM 0 HZ PHE A 81 -1.904 13.652 4.971 1.00 1.26 H new ATOM 1252 N GLY A 82 4.349 10.620 0.254 1.00 0.61 N ATOM 1253 CA GLY A 82 5.536 9.857 -0.223 1.00 0.53 C ATOM 1254 C GLY A 82 5.107 8.904 -1.340 1.00 0.45 C ATOM 1255 O GLY A 82 4.531 9.311 -2.330 1.00 0.52 O ATOM 0 H GLY A 82 3.659 10.844 -0.463 1.00 0.61 H new ATOM 0 HA2 GLY A 82 6.301 10.542 -0.588 1.00 0.53 H new ATOM 0 HA3 GLY A 82 5.977 9.296 0.601 1.00 0.53 H new ATOM 1259 N TYR A 83 5.301 7.629 -1.145 1.00 0.39 N ATOM 1260 CA TYR A 83 4.815 6.640 -2.147 1.00 0.36 C ATOM 1261 C TYR A 83 4.011 5.545 -1.444 1.00 0.32 C ATOM 1262 O TYR A 83 4.458 4.957 -0.481 1.00 0.38 O ATOM 1263 CB TYR A 83 6.080 6.052 -2.774 1.00 0.42 C ATOM 1264 CG TYR A 83 6.766 7.103 -3.613 1.00 0.59 C ATOM 1265 CD1 TYR A 83 6.441 7.238 -4.969 1.00 0.93 C ATOM 1266 CD2 TYR A 83 7.730 7.939 -3.036 1.00 0.78 C ATOM 1267 CE1 TYR A 83 7.081 8.210 -5.748 1.00 1.16 C ATOM 1268 CE2 TYR A 83 8.370 8.912 -3.815 1.00 1.03 C ATOM 1269 CZ TYR A 83 8.045 9.047 -5.171 1.00 1.14 C ATOM 1270 OH TYR A 83 8.676 10.005 -5.939 1.00 1.43 O ATOM 0 H TYR A 83 5.775 7.229 -0.335 1.00 0.39 H new ATOM 0 HA TYR A 83 4.164 7.092 -2.896 1.00 0.36 H new ATOM 0 HB2 TYR A 83 6.754 5.698 -1.994 1.00 0.42 H new ATOM 0 HB3 TYR A 83 5.825 5.190 -3.390 1.00 0.42 H new ATOM 0 HD1 TYR A 83 5.697 6.593 -5.413 1.00 0.93 H new ATOM 0 HD2 TYR A 83 7.980 7.834 -1.991 1.00 0.78 H new ATOM 0 HE1 TYR A 83 6.831 8.314 -6.794 1.00 1.16 H new ATOM 0 HE2 TYR A 83 9.113 9.557 -3.370 1.00 1.03 H new ATOM 0 HH TYR A 83 9.315 10.500 -5.385 1.00 1.43 H new ATOM 1280 N HIS A 84 2.838 5.254 -1.928 1.00 0.32 N ATOM 1281 CA HIS A 84 2.020 4.178 -1.294 1.00 0.30 C ATOM 1282 C HIS A 84 2.059 2.904 -2.131 1.00 0.28 C ATOM 1283 O HIS A 84 1.549 2.866 -3.233 1.00 0.30 O ATOM 1284 CB HIS A 84 0.587 4.710 -1.236 1.00 0.37 C ATOM 1285 CG HIS A 84 0.489 5.776 -0.183 1.00 0.37 C ATOM 1286 ND1 HIS A 84 1.173 5.968 0.991 1.00 0.49 N flip ATOM 1287 CD2 HIS A 84 -0.413 6.825 -0.272 1.00 0.40 C flip ATOM 1288 CE1 HIS A 84 0.706 7.117 1.623 1.00 0.61 C flip ATOM 1289 NE2 HIS A 84 -0.249 7.594 0.820 1.00 0.56 N flip ATOM 0 H HIS A 84 2.409 5.711 -2.732 1.00 0.32 H new ATOM 0 HA HIS A 84 2.404 3.932 -0.304 1.00 0.30 H new ATOM 0 HB2 HIS A 84 0.299 5.115 -2.206 1.00 0.37 H new ATOM 0 HB3 HIS A 84 -0.105 3.898 -1.012 1.00 0.37 H new ATOM 0 HD1 HIS A 84 1.912 5.361 1.347 1.00 0.49 H new ATOM 0 HD2 HIS A 84 -1.119 6.994 -1.072 1.00 0.40 H new ATOM 0 HE1 HIS A 84 1.043 7.533 2.561 1.00 0.61 H new ATOM 1297 N ILE A 85 2.450 1.814 -1.538 1.00 0.27 N ATOM 1298 CA ILE A 85 2.262 0.511 -2.230 1.00 0.27 C ATOM 1299 C ILE A 85 1.152 -0.276 -1.527 1.00 0.26 C ATOM 1300 O ILE A 85 1.079 -0.300 -0.314 1.00 0.28 O ATOM 1301 CB ILE A 85 3.612 -0.204 -2.127 1.00 0.29 C ATOM 1302 CG1 ILE A 85 3.730 -1.235 -3.251 1.00 0.30 C ATOM 1303 CG2 ILE A 85 3.722 -0.914 -0.776 1.00 0.32 C ATOM 1304 CD1 ILE A 85 5.191 -1.339 -3.694 1.00 0.35 C ATOM 0 H ILE A 85 2.886 1.767 -0.617 1.00 0.27 H new ATOM 0 HA ILE A 85 1.964 0.621 -3.273 1.00 0.27 H new ATOM 0 HB ILE A 85 4.413 0.530 -2.215 1.00 0.29 H new ATOM 0 HG12 ILE A 85 3.373 -2.206 -2.908 1.00 0.30 H new ATOM 0 HG13 ILE A 85 3.103 -0.944 -4.094 1.00 0.30 H new ATOM 0 HG21 ILE A 85 4.685 -1.421 -0.709 1.00 0.32 H new ATOM 0 HG22 ILE A 85 3.640 -0.182 0.027 1.00 0.32 H new ATOM 0 HG23 ILE A 85 2.919 -1.646 -0.683 1.00 0.32 H new ATOM 0 HD11 ILE A 85 5.277 -2.073 -4.495 1.00 0.35 H new ATOM 0 HD12 ILE A 85 5.532 -0.368 -4.054 1.00 0.35 H new ATOM 0 HD13 ILE A 85 5.806 -1.650 -2.849 1.00 0.35 H new ATOM 1316 N ILE A 86 0.180 -0.731 -2.267 1.00 0.28 N ATOM 1317 CA ILE A 86 -1.041 -1.287 -1.617 1.00 0.29 C ATOM 1318 C ILE A 86 -1.393 -2.661 -2.195 1.00 0.30 C ATOM 1319 O ILE A 86 -1.558 -2.816 -3.388 1.00 0.32 O ATOM 1320 CB ILE A 86 -2.143 -0.283 -1.950 1.00 0.33 C ATOM 1321 CG1 ILE A 86 -1.806 1.073 -1.329 1.00 0.37 C ATOM 1322 CG2 ILE A 86 -3.476 -0.785 -1.391 1.00 0.46 C ATOM 1323 CD1 ILE A 86 -2.621 2.167 -2.023 1.00 0.46 C ATOM 0 H ILE A 86 0.177 -0.743 -3.287 1.00 0.28 H new ATOM 0 HA ILE A 86 -0.904 -1.425 -0.545 1.00 0.29 H new ATOM 0 HB ILE A 86 -2.220 -0.175 -3.032 1.00 0.33 H new ATOM 0 HG12 ILE A 86 -2.027 1.061 -0.262 1.00 0.37 H new ATOM 0 HG13 ILE A 86 -0.740 1.278 -1.432 1.00 0.37 H new ATOM 0 HG21 ILE A 86 -4.263 -0.069 -1.628 1.00 0.46 H new ATOM 0 HG22 ILE A 86 -3.717 -1.750 -1.837 1.00 0.46 H new ATOM 0 HG23 ILE A 86 -3.399 -0.894 -0.309 1.00 0.46 H new ATOM 0 HD11 ILE A 86 -2.382 3.134 -1.581 1.00 0.46 H new ATOM 0 HD12 ILE A 86 -2.378 2.183 -3.085 1.00 0.46 H new ATOM 0 HD13 ILE A 86 -3.684 1.964 -1.897 1.00 0.46 H new ATOM 1335 N LYS A 87 -1.687 -3.605 -1.344 1.00 0.36 N ATOM 1336 CA LYS A 87 -2.238 -4.902 -1.831 1.00 0.43 C ATOM 1337 C LYS A 87 -3.757 -4.911 -1.643 1.00 0.38 C ATOM 1338 O LYS A 87 -4.258 -4.526 -0.604 1.00 0.41 O ATOM 1339 CB LYS A 87 -1.581 -5.968 -0.954 1.00 0.64 C ATOM 1340 CG LYS A 87 -2.124 -7.346 -1.333 1.00 1.01 C ATOM 1341 CD LYS A 87 -1.340 -8.427 -0.588 1.00 0.95 C ATOM 1342 CE LYS A 87 -0.013 -8.680 -1.306 1.00 1.56 C ATOM 1343 NZ LYS A 87 0.185 -10.155 -1.234 1.00 2.24 N ATOM 0 H LYS A 87 -1.570 -3.535 -0.333 1.00 0.36 H new ATOM 0 HA LYS A 87 -2.038 -5.074 -2.889 1.00 0.43 H new ATOM 0 HB2 LYS A 87 -0.499 -5.944 -1.083 1.00 0.64 H new ATOM 0 HB3 LYS A 87 -1.781 -5.763 0.098 1.00 0.64 H new ATOM 0 HG2 LYS A 87 -3.183 -7.413 -1.083 1.00 1.01 H new ATOM 0 HG3 LYS A 87 -2.040 -7.498 -2.409 1.00 1.01 H new ATOM 0 HD2 LYS A 87 -1.156 -8.115 0.440 1.00 0.95 H new ATOM 0 HD3 LYS A 87 -1.922 -9.347 -0.542 1.00 0.95 H new ATOM 0 HE2 LYS A 87 -0.051 -8.336 -2.340 1.00 1.56 H new ATOM 0 HE3 LYS A 87 0.806 -8.147 -0.823 1.00 1.56 H new ATOM 0 HZ1 LYS A 87 1.076 -10.409 -1.706 1.00 2.24 H new ATOM 0 HZ2 LYS A 87 0.224 -10.452 -0.238 1.00 2.24 H new ATOM 0 HZ3 LYS A 87 -0.607 -10.635 -1.708 1.00 2.24 H new ATOM 1357 N VAL A 88 -4.493 -5.230 -2.674 1.00 0.39 N ATOM 1358 CA VAL A 88 -5.979 -5.122 -2.591 1.00 0.42 C ATOM 1359 C VAL A 88 -6.616 -6.511 -2.485 1.00 0.46 C ATOM 1360 O VAL A 88 -6.286 -7.416 -3.226 1.00 0.54 O ATOM 1361 CB VAL A 88 -6.400 -4.442 -3.895 1.00 0.53 C ATOM 1362 CG1 VAL A 88 -7.894 -4.117 -3.840 1.00 0.88 C ATOM 1363 CG2 VAL A 88 -5.602 -3.149 -4.081 1.00 0.66 C ATOM 0 H VAL A 88 -4.131 -5.560 -3.568 1.00 0.39 H new ATOM 0 HA VAL A 88 -6.298 -4.562 -1.712 1.00 0.42 H new ATOM 0 HB VAL A 88 -6.203 -5.111 -4.733 1.00 0.53 H new ATOM 0 HG11 VAL A 88 -8.195 -3.632 -4.769 1.00 0.88 H new ATOM 0 HG12 VAL A 88 -8.462 -5.038 -3.710 1.00 0.88 H new ATOM 0 HG13 VAL A 88 -8.090 -3.449 -3.002 1.00 0.88 H new ATOM 0 HG21 VAL A 88 -5.903 -2.666 -5.011 1.00 0.66 H new ATOM 0 HG22 VAL A 88 -5.796 -2.478 -3.244 1.00 0.66 H new ATOM 0 HG23 VAL A 88 -4.538 -3.381 -4.121 1.00 0.66 H new ATOM 1373 N LEU A 89 -7.514 -6.689 -1.553 1.00 0.48 N ATOM 1374 CA LEU A 89 -8.161 -8.004 -1.370 1.00 0.55 C ATOM 1375 C LEU A 89 -9.649 -7.799 -1.085 1.00 0.57 C ATOM 1376 O LEU A 89 -10.172 -6.709 -1.199 1.00 0.65 O ATOM 1377 CB LEU A 89 -7.463 -8.617 -0.155 1.00 0.59 C ATOM 1378 CG LEU A 89 -5.946 -8.533 -0.338 1.00 0.61 C ATOM 1379 CD1 LEU A 89 -5.253 -9.082 0.909 1.00 0.71 C ATOM 1380 CD2 LEU A 89 -5.529 -9.359 -1.557 1.00 0.75 C ATOM 0 H LEU A 89 -7.825 -5.964 -0.906 1.00 0.48 H new ATOM 0 HA LEU A 89 -8.080 -8.644 -2.249 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -7.760 -8.090 0.752 1.00 0.59 H new ATOM 0 HB3 LEU A 89 -7.768 -9.656 -0.034 1.00 0.59 H new ATOM 0 HG LEU A 89 -5.657 -7.493 -0.489 1.00 0.61 H new ATOM 0 HD11 LEU A 89 -4.172 -9.023 0.780 1.00 0.71 H new ATOM 0 HD12 LEU A 89 -5.548 -8.494 1.778 1.00 0.71 H new ATOM 0 HD13 LEU A 89 -5.544 -10.122 1.059 1.00 0.71 H new ATOM 0 HD21 LEU A 89 -4.448 -9.298 -1.686 1.00 0.75 H new ATOM 0 HD22 LEU A 89 -5.818 -10.399 -1.408 1.00 0.75 H new ATOM 0 HD23 LEU A 89 -6.023 -8.969 -2.447 1.00 0.75 H new ATOM 1392 N TYR A 90 -10.302 -8.834 -0.660 1.00 0.94 N ATOM 1393 CA TYR A 90 -11.754 -8.748 -0.303 1.00 1.02 C ATOM 1394 C TYR A 90 -12.488 -7.713 -1.173 1.00 0.96 C ATOM 1395 O TYR A 90 -13.063 -8.051 -2.189 1.00 1.15 O ATOM 1396 CB TYR A 90 -11.761 -8.335 1.170 1.00 1.00 C ATOM 1397 CG TYR A 90 -11.316 -9.505 2.016 1.00 1.34 C ATOM 1398 CD1 TYR A 90 -9.957 -9.840 2.085 1.00 1.64 C ATOM 1399 CD2 TYR A 90 -12.259 -10.256 2.729 1.00 1.83 C ATOM 1400 CE1 TYR A 90 -9.542 -10.924 2.868 1.00 2.14 C ATOM 1401 CE2 TYR A 90 -11.843 -11.341 3.512 1.00 2.30 C ATOM 1402 CZ TYR A 90 -10.484 -11.674 3.582 1.00 2.36 C ATOM 1403 OH TYR A 90 -10.073 -12.742 4.353 1.00 2.93 O ATOM 0 H TYR A 90 -9.890 -9.759 -0.539 1.00 0.94 H new ATOM 0 HA TYR A 90 -12.274 -9.691 -0.472 1.00 1.02 H new ATOM 0 HB2 TYR A 90 -11.096 -7.485 1.325 1.00 1.00 H new ATOM 0 HB3 TYR A 90 -12.760 -8.016 1.466 1.00 1.00 H new ATOM 0 HD1 TYR A 90 -9.230 -9.262 1.534 1.00 1.64 H new ATOM 0 HD2 TYR A 90 -13.307 -9.999 2.675 1.00 1.83 H new ATOM 0 HE1 TYR A 90 -8.495 -11.182 2.921 1.00 2.14 H new ATOM 0 HE2 TYR A 90 -12.570 -11.921 4.062 1.00 2.30 H new ATOM 0 HH TYR A 90 -10.851 -13.154 4.783 1.00 2.93 H new ATOM 1413 N ARG A 91 -12.492 -6.464 -0.787 1.00 0.94 N ATOM 1414 CA ARG A 91 -13.209 -5.434 -1.601 1.00 1.02 C ATOM 1415 C ARG A 91 -14.697 -5.768 -1.712 1.00 1.21 C ATOM 1416 O ARG A 91 -15.286 -5.681 -2.772 1.00 1.57 O ATOM 1417 CB ARG A 91 -12.552 -5.483 -2.976 1.00 1.14 C ATOM 1418 CG ARG A 91 -13.043 -4.296 -3.809 1.00 1.40 C ATOM 1419 CD ARG A 91 -12.393 -4.332 -5.192 1.00 1.81 C ATOM 1420 NE ARG A 91 -12.857 -3.083 -5.861 1.00 2.01 N ATOM 1421 CZ ARG A 91 -12.801 -2.975 -7.162 1.00 2.45 C ATOM 1422 NH1 ARG A 91 -12.342 -3.963 -7.882 1.00 2.69 N ATOM 1423 NH2 ARG A 91 -13.204 -1.878 -7.742 1.00 3.09 N ATOM 0 H ARG A 91 -12.032 -6.112 0.053 1.00 0.94 H new ATOM 0 HA ARG A 91 -13.143 -4.445 -1.148 1.00 1.02 H new ATOM 0 HB2 ARG A 91 -11.467 -5.449 -2.876 1.00 1.14 H new ATOM 0 HB3 ARG A 91 -12.796 -6.420 -3.476 1.00 1.14 H new ATOM 0 HG2 ARG A 91 -14.128 -4.332 -3.906 1.00 1.40 H new ATOM 0 HG3 ARG A 91 -12.798 -3.361 -3.306 1.00 1.40 H new ATOM 0 HD2 ARG A 91 -11.306 -4.361 -5.118 1.00 1.81 H new ATOM 0 HD3 ARG A 91 -12.698 -5.217 -5.750 1.00 1.81 H new ATOM 0 HE ARG A 91 -13.219 -2.311 -5.302 1.00 2.01 H new ATOM 0 HH11 ARG A 91 -12.027 -4.821 -7.429 1.00 2.69 H new ATOM 0 HH12 ARG A 91 -12.299 -3.877 -8.897 1.00 2.69 H new ATOM 0 HH21 ARG A 91 -13.562 -1.106 -7.180 1.00 3.09 H new ATOM 0 HH22 ARG A 91 -13.161 -1.792 -8.757 1.00 3.09 H new ATOM 1437 N ASN A 92 -15.327 -6.065 -0.612 1.00 1.77 N ATOM 1438 CA ASN A 92 -16.800 -6.308 -0.632 1.00 2.04 C ATOM 1439 C ASN A 92 -17.254 -6.908 0.702 1.00 2.70 C ATOM 1440 O ASN A 92 -16.512 -6.794 1.663 1.00 3.40 O ATOM 1441 CB ASN A 92 -17.034 -7.300 -1.772 1.00 2.88 C ATOM 1442 CG ASN A 92 -17.952 -6.664 -2.818 1.00 3.29 C ATOM 1443 OD1 ASN A 92 -17.816 -5.398 -3.104 1.00 3.75 O flip ATOM 1444 ND2 ASN A 92 -18.803 -7.325 -3.380 1.00 3.57 N flip ATOM 1445 OXT ASN A 92 -18.336 -7.470 0.738 1.00 3.09 O ATOM 0 H ASN A 92 -14.887 -6.151 0.304 1.00 1.77 H new ATOM 0 HA ASN A 92 -17.364 -5.387 -0.778 1.00 2.04 H new ATOM 0 HB2 ASN A 92 -16.084 -7.579 -2.227 1.00 2.88 H new ATOM 0 HB3 ASN A 92 -17.483 -8.215 -1.386 1.00 2.88 H new ATOM 0 HD21 ASN A 92 -18.910 -8.315 -3.157 1.00 3.57 H new ATOM 0 HD22 ASN A 92 -19.410 -6.890 -4.075 1.00 3.57 H new TER 1452 ASN A 92 END