USER MOD reduce.3.24.130724 H: found=0, std=0, add=1219, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1216 hydrogens (0 hets) HEADER HYDROLASE 30-JUL-01 1JOO TITLE AVERAGED STRUCTURE FOR UNLIGATED STAPHYLOCOCCAL NUCLEASE- TITLE 2 H124L COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: NUCLEASE A; COMPND 5 SYNONYM: THERMONUCLEASE, TNASE, MICROCOCCAL NUCLEASE; COMPND 6 EC: 3.1.31.1; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL-21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PTSN2CC KEYWDS BETA BARREL, ALPHA HELIX, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.WANG,D.M.TRUCKSES,F.ABILDGAARD,Z.DZAKULA,Z.ZOLNAI, AUTHOR 2 J.L.MARKLEY REVDAT 3 24-FEB-09 1JOO 1 VERSN REVDAT 2 01-APR-03 1JOO 1 JRNL REVDAT 1 22-AUG-01 1JOO 0 JRNL AUTH J.WANG,D.M.TRUCKSES,F.ABILDGAARD,Z.DZAKULA, JRNL AUTH 2 Z.ZOLNAI,J.L.MARKLEY JRNL TITL SOLUTION STRUCTURES OF STAPHYLOCOCCAL NUCLEASE JRNL TITL 2 FROM MULTIDIMENSIONAL, MULTINUCLEAR NMR: JRNL TITL 3 NUCLEASE-H124L AND ITS TERNARY COMPLEX WITH CA2+ JRNL TITL 4 AND THYMIDINE-3',5'-BISPHOSPHATE. JRNL REF J.BIOMOL.NMR V. 10 143 1997 JRNL REFN ISSN 0925-2738 JRNL PMID 9369015 JRNL DOI 10.1023/A:1018350004729 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 2176 CONSTRAINTS WERE USED TO REMARK 3 CALCULATE THE STRUCTURE REMARK 4 REMARK 4 1JOO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB014008. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 318; 318 REMARK 210 PH : 5.5; 5.1 REMARK 210 IONIC STRENGTH : 300 NM KCL; 300 NM KCL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 3.5-5 MM NUCLEASE-H124L U-50% REMARK 210 2H; 300 MM KCL; D2O; 3.5-5 MM REMARK 210 NUCLEASE-H124L U-95% 15N; 300 REMARK 210 MM KCL; H2O; 3.5-5 MM NUCLEASE REMARK 210 -H124L; 300 MM KCL; D2O; 3.5-5 REMARK 210 MM NUCLEASE-H124L U-50% 2H; REMARK 210 300 MM KCL; H2O; 3.5-5 MM REMARK 210 NUCLEASE-H124L U-98% 13C; 300 REMARK 210 MM KCL; H2O; 3.5-5 MM NUCLEASE REMARK 210 -H124L U-98% 13C U-99% 15N; REMARK 210 300 MM KCL; H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : E-COSY, HMQC-J, DQF-COSY, 2D REMARK 210 NOESY, 3D 1H-15N NOESY-HMQC, REMARK 210 2D 1H-13C HMQC, HNCO, 3D HNCA, REMARK 210 AND OTHERS REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AM REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR 3.1, INSIGHTII REMARK 210 2.3, HBPLUS REMARK 210 METHOD USED : DISTANCE, HYDROGEN BOND AND REMARK 210 TORSION ANGLE 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 THR A 2 177.63 52.38 REMARK 500 LYS A 5 153.87 73.15 REMARK 500 LYS A 16 112.91 -167.30 REMARK 500 ILE A 18 -60.35 -121.47 REMARK 500 ASP A 19 -167.89 -118.98 REMARK 500 LYS A 53 -86.05 -88.10 REMARK 500 GLU A 57 -56.90 -127.43 REMARK 500 ALA A 69 96.48 -48.86 REMARK 500 GLN A 80 -176.58 -54.91 REMARK 500 ASP A 83 -157.00 -69.63 REMARK 500 ALA A 90 -169.45 -164.47 REMARK 500 MET A 98 98.02 -63.93 REMARK 500 ASN A 118 94.41 -55.08 REMARK 500 ASN A 119 36.26 -160.13 REMARK 500 THR A 120 -70.75 -75.50 REMARK 500 ASN A 138 -104.80 56.41 REMARK 500 ALA A 145 -52.09 -143.40 REMARK 500 SER A 147 68.92 -111.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 35 0.20 SIDE_CHAIN REMARK 500 ARG A 81 0.31 SIDE_CHAIN REMARK 500 ARG A 87 0.27 SIDE_CHAIN REMARK 500 ARG A 105 0.28 SIDE_CHAIN REMARK 500 ARG A 126 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JOK RELATED DB: PDB REMARK 900 AVERAGED STRUCTURE FOR STAPHYLOCOCCAL NUCLEASE-H124L IN REMARK 900 TERNARY COMPLEX WITH CA2+ AND THYMIDINE-3',5'-BISPHOSPHATE REMARK 900 RELATED ID: 1JOQ RELATED DB: PDB REMARK 900 ENSEMBLE STRUCTURES FOR STAPHYLOCOCCAL NUCLEASE-H124L IN REMARK 900 TERNARY COMPLEX WITH CA2+ AND THYMIDINE-3',5'-BISPHOSPHATE REMARK 900 RELATED ID: 1JOR RELATED DB: PDB REMARK 900 ENSEMBLE STRUCTURES FOR UNLIGATED STAPHYLOCOCCAL NUCLEASE- REMARK 900 H124L DBREF 1JOO A 1 149 UNP P00644 NUC_STAAU 83 231 SEQADV 1JOO LEU A 124 UNP P00644 HIS 206 ENGINEERED SEQRES 1 A 149 ALA THR SER THR LYS LYS LEU HIS LYS GLU PRO ALA THR SEQRES 2 A 149 LEU ILE LYS ALA ILE ASP GLY ASP THR VAL LYS LEU MET SEQRES 3 A 149 TYR LYS GLY GLN PRO MET THR PHE ARG LEU LEU LEU VAL SEQRES 4 A 149 ASP THR PRO GLU THR LYS HIS PRO LYS LYS GLY VAL GLU SEQRES 5 A 149 LYS TYR GLY PRO GLU ALA SER ALA PHE THR LYS LYS MET SEQRES 6 A 149 VAL GLU ASN ALA LYS LYS ILE GLU VAL GLU PHE ASP LYS SEQRES 7 A 149 GLY GLN ARG THR ASP LYS TYR GLY ARG GLY LEU ALA TYR SEQRES 8 A 149 ILE TYR ALA ASP GLY LYS MET VAL ASN GLU ALA LEU VAL SEQRES 9 A 149 ARG GLN GLY LEU ALA LYS VAL ALA TYR VAL TYR LYS PRO SEQRES 10 A 149 ASN ASN THR HIS GLU GLN LEU LEU ARG LYS SER GLU ALA SEQRES 11 A 149 GLN ALA LYS LYS GLU LYS LEU ASN ILE TRP SER GLU ASP SEQRES 12 A 149 ASN ALA ASP SER GLY GLN HELIX 1 1 GLU A 57 ALA A 69 1 13 HELIX 2 2 VAL A 99 GLN A 106 1 8 HELIX 3 3 HIS A 121 LYS A 136 1 16 HELIX 4 4 LEU A 137 SER A 141 5 5 SHEET 1 A 6 THR A 13 ALA A 17 0 SHEET 2 A 6 THR A 22 TYR A 27 -1 O LYS A 24 N ILE A 15 SHEET 3 A 6 GLN A 30 LEU A 36 -1 O GLN A 30 N TYR A 27 SHEET 4 A 6 GLY A 88 ALA A 94 1 O GLY A 88 N ARG A 35 SHEET 5 A 6 ILE A 72 PHE A 76 -1 N GLU A 73 O TYR A 93 SHEET 6 A 6 GLU A 10 PRO A 11 -1 O GLU A 10 N VAL A 74 SHEET 1 B 5 THR A 13 ALA A 17 0 SHEET 2 B 5 THR A 22 TYR A 27 -1 O LYS A 24 N ILE A 15 SHEET 3 B 5 GLN A 30 LEU A 36 -1 O GLN A 30 N TYR A 27 SHEET 4 B 5 GLY A 88 ALA A 94 1 O GLY A 88 N ARG A 35 SHEET 5 B 5 LYS A 97 MET A 98 -1 O LYS A 97 N ALA A 94 CISPEP 1 LYS A 116 PRO A 117 0 0.10 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 93 TYR OH : rot 49:sc= 0.671 USER MOD Set 1.2: A 98 MET CE :methyl 178:sc= -0.21 (180deg=0) USER MOD Set 1.3: A 121 HIS : no HD1:sc= 0 X(o=0.46,f=0.16) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0641) USER MOD Set 2.2: A 30 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.76) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0.118 USER MOD Set 3.2: A 4 THR OG1 : rot 47:sc= -0.334! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 0.871 (180deg=0.00281) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0127) USER MOD Single : A 26 MET CE :methyl -135:sc= -0.193 (180deg=-3.27!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.866 USER MOD Single : A 32 MET CE :methyl 150:sc= -0.184 (180deg=-1.14) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.77) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 0.489 (180deg=0.133) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 173:sc= -1.72! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 61:sc= 0.254 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -144:sc= -1.05 (180deg=-3.13!) USER MOD Single : A 68 ASN : amide:sc= -4.01! C(o=-4!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -176:sc= 0.0167 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -2.33! C(o=-2.3!,f=-11!) USER MOD Single : A 106 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.06) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 124:sc= 0.0261 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.3) USER MOD Single : A 119 ASN : amide:sc= -8.14! C(o=-8.1!,f=-17!) USER MOD Single : A 120 THR OG1 : rot -178:sc= -0.602 USER MOD Single : A 123 GLN : amide:sc= 0.102 K(o=0.1,f=-2.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 100:sc= -0.242 USER MOD Single : A 131 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.144 K(o=-0.14,f=1.2) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.078) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 143.547 5.392 9.992 1.00 9.87 N ATOM 2 CA ALA A 1 143.120 4.973 8.626 1.00 9.52 C ATOM 3 C ALA A 1 143.356 6.122 7.643 1.00 8.70 C ATOM 4 O ALA A 1 142.670 7.124 7.670 1.00 8.71 O ATOM 5 CB ALA A 1 141.633 4.614 8.644 1.00 9.97 C ATOM 0 H1 ALA A 1 143.387 4.612 10.660 1.00 9.87 H new ATOM 0 H2 ALA A 1 144.558 5.636 9.980 1.00 9.87 H new ATOM 0 H3 ALA A 1 142.994 6.221 10.289 1.00 9.87 H new ATOM 0 HA ALA A 1 143.700 4.104 8.315 1.00 9.52 H new ATOM 0 HB1 ALA A 1 141.321 4.308 7.646 1.00 9.97 H new ATOM 0 HB2 ALA A 1 141.465 3.796 9.344 1.00 9.97 H new ATOM 0 HB3 ALA A 1 141.053 5.483 8.955 1.00 9.97 H new ATOM 13 N THR A 2 144.322 5.985 6.776 1.00 8.23 N ATOM 14 CA THR A 2 144.602 7.070 5.793 1.00 7.66 C ATOM 15 C THR A 2 144.770 8.398 6.535 1.00 6.92 C ATOM 16 O THR A 2 144.632 8.468 7.740 1.00 7.12 O ATOM 17 CB THR A 2 143.437 7.178 4.805 1.00 8.04 C ATOM 18 OG1 THR A 2 142.694 5.967 4.818 1.00 8.46 O ATOM 19 CG2 THR A 2 143.982 7.431 3.399 1.00 8.65 C ATOM 0 H THR A 2 144.929 5.169 6.706 1.00 8.23 H new ATOM 0 HA THR A 2 145.518 6.840 5.248 1.00 7.66 H new ATOM 0 HB THR A 2 142.788 8.005 5.095 1.00 8.04 H new ATOM 0 HG1 THR A 2 141.947 6.035 4.187 1.00 8.46 H new ATOM 0 HG21 THR A 2 143.153 7.508 2.696 1.00 8.65 H new ATOM 0 HG22 THR A 2 144.552 8.360 3.391 1.00 8.65 H new ATOM 0 HG23 THR A 2 144.631 6.605 3.106 1.00 8.65 H new ATOM 27 N SER A 3 145.069 9.454 5.826 1.00 6.37 N ATOM 28 CA SER A 3 145.246 10.774 6.495 1.00 5.94 C ATOM 29 C SER A 3 143.926 11.547 6.462 1.00 5.12 C ATOM 30 O SER A 3 143.439 12.006 7.476 1.00 5.23 O ATOM 31 CB SER A 3 146.323 11.576 5.762 1.00 6.50 C ATOM 32 OG SER A 3 145.725 12.294 4.690 1.00 7.00 O ATOM 0 H SER A 3 145.198 9.459 4.814 1.00 6.37 H new ATOM 0 HA SER A 3 145.549 10.617 7.530 1.00 5.94 H new ATOM 0 HB2 SER A 3 146.810 12.266 6.450 1.00 6.50 H new ATOM 0 HB3 SER A 3 147.095 10.907 5.381 1.00 6.50 H new ATOM 0 HG SER A 3 146.412 12.811 4.219 1.00 7.00 H new ATOM 38 N THR A 4 143.345 11.696 5.304 1.00 4.68 N ATOM 39 CA THR A 4 142.058 12.440 5.207 1.00 4.23 C ATOM 40 C THR A 4 141.040 11.594 4.441 1.00 3.60 C ATOM 41 O THR A 4 140.178 12.109 3.756 1.00 3.91 O ATOM 42 CB THR A 4 142.287 13.761 4.469 1.00 4.78 C ATOM 43 OG1 THR A 4 143.636 14.173 4.648 1.00 5.22 O ATOM 44 CG2 THR A 4 141.347 14.832 5.027 1.00 5.24 C ATOM 0 H THR A 4 143.706 11.335 4.421 1.00 4.68 H new ATOM 0 HA THR A 4 141.679 12.647 6.208 1.00 4.23 H new ATOM 0 HB THR A 4 142.085 13.623 3.407 1.00 4.78 H new ATOM 0 HG1 THR A 4 144.235 13.416 4.479 1.00 5.22 H new ATOM 0 HG21 THR A 4 141.512 15.772 4.500 1.00 5.24 H new ATOM 0 HG22 THR A 4 140.313 14.516 4.890 1.00 5.24 H new ATOM 0 HG23 THR A 4 141.545 14.972 6.090 1.00 5.24 H new ATOM 52 N LYS A 5 141.132 10.297 4.551 1.00 3.27 N ATOM 53 CA LYS A 5 140.171 9.417 3.830 1.00 3.18 C ATOM 54 C LYS A 5 140.497 9.419 2.335 1.00 2.68 C ATOM 55 O LYS A 5 141.062 10.359 1.813 1.00 3.27 O ATOM 56 CB LYS A 5 138.746 9.936 4.044 1.00 3.80 C ATOM 57 CG LYS A 5 137.864 8.802 4.569 1.00 4.76 C ATOM 58 CD LYS A 5 136.757 9.382 5.452 1.00 5.75 C ATOM 59 CE LYS A 5 137.280 9.549 6.880 1.00 6.57 C ATOM 60 NZ LYS A 5 136.919 8.347 7.683 1.00 7.38 N ATOM 0 H LYS A 5 141.832 9.809 5.110 1.00 3.27 H new ATOM 0 HA LYS A 5 140.250 8.401 4.216 1.00 3.18 H new ATOM 0 HB2 LYS A 5 138.752 10.764 4.752 1.00 3.80 H new ATOM 0 HB3 LYS A 5 138.343 10.321 3.107 1.00 3.80 H new ATOM 0 HG2 LYS A 5 137.428 8.251 3.736 1.00 4.76 H new ATOM 0 HG3 LYS A 5 138.465 8.094 5.139 1.00 4.76 H new ATOM 0 HD2 LYS A 5 136.429 10.344 5.058 1.00 5.75 H new ATOM 0 HD3 LYS A 5 135.889 8.723 5.446 1.00 5.75 H new ATOM 0 HE2 LYS A 5 138.362 9.682 6.870 1.00 6.57 H new ATOM 0 HE3 LYS A 5 136.854 10.444 7.333 1.00 6.57 H new ATOM 0 HZ1 LYS A 5 137.274 8.459 8.654 1.00 7.38 H new ATOM 0 HZ2 LYS A 5 135.885 8.240 7.702 1.00 7.38 H new ATOM 0 HZ3 LYS A 5 137.346 7.502 7.254 1.00 7.38 H new ATOM 74 N LYS A 6 140.147 8.370 1.642 1.00 2.29 N ATOM 75 CA LYS A 6 140.439 8.310 0.182 1.00 2.54 C ATOM 76 C LYS A 6 139.126 8.290 -0.603 1.00 2.05 C ATOM 77 O LYS A 6 139.119 8.238 -1.817 1.00 2.49 O ATOM 78 CB LYS A 6 141.233 7.040 -0.126 1.00 3.50 C ATOM 79 CG LYS A 6 142.729 7.362 -0.137 1.00 4.39 C ATOM 80 CD LYS A 6 143.525 6.077 -0.368 1.00 5.35 C ATOM 81 CE LYS A 6 143.787 5.903 -1.865 1.00 6.19 C ATOM 82 NZ LYS A 6 145.254 5.957 -2.122 1.00 6.84 N ATOM 0 H LYS A 6 139.672 7.552 2.024 1.00 2.29 H new ATOM 0 HA LYS A 6 141.022 9.185 -0.107 1.00 2.54 H new ATOM 0 HB2 LYS A 6 141.020 6.276 0.621 1.00 3.50 H new ATOM 0 HB3 LYS A 6 140.931 6.635 -1.092 1.00 3.50 H new ATOM 0 HG2 LYS A 6 142.950 8.086 -0.921 1.00 4.39 H new ATOM 0 HG3 LYS A 6 143.021 7.818 0.809 1.00 4.39 H new ATOM 0 HD2 LYS A 6 144.469 6.119 0.175 1.00 5.35 H new ATOM 0 HD3 LYS A 6 142.973 5.220 0.018 1.00 5.35 H new ATOM 0 HE2 LYS A 6 143.382 4.951 -2.208 1.00 6.19 H new ATOM 0 HE3 LYS A 6 143.279 6.687 -2.427 1.00 6.19 H new ATOM 0 HZ1 LYS A 6 145.433 5.839 -3.140 1.00 6.84 H new ATOM 0 HZ2 LYS A 6 145.628 6.876 -1.809 1.00 6.84 H new ATOM 0 HZ3 LYS A 6 145.727 5.194 -1.597 1.00 6.84 H new ATOM 96 N LEU A 7 138.012 8.328 0.077 1.00 1.70 N ATOM 97 CA LEU A 7 136.705 8.310 -0.637 1.00 1.38 C ATOM 98 C LEU A 7 135.923 9.583 -0.306 1.00 1.28 C ATOM 99 O LEU A 7 135.902 10.036 0.821 1.00 1.41 O ATOM 100 CB LEU A 7 135.898 7.089 -0.192 1.00 1.53 C ATOM 101 CG LEU A 7 136.100 5.951 -1.194 1.00 1.44 C ATOM 102 CD1 LEU A 7 135.590 4.642 -0.590 1.00 1.52 C ATOM 103 CD2 LEU A 7 135.322 6.257 -2.476 1.00 2.00 C ATOM 0 H LEU A 7 137.951 8.371 1.094 1.00 1.70 H new ATOM 0 HA LEU A 7 136.880 8.260 -1.712 1.00 1.38 H new ATOM 0 HB2 LEU A 7 136.215 6.773 0.802 1.00 1.53 H new ATOM 0 HB3 LEU A 7 134.840 7.344 -0.124 1.00 1.53 H new ATOM 0 HG LEU A 7 137.161 5.855 -1.425 1.00 1.44 H new ATOM 0 HD11 LEU A 7 135.734 3.831 -1.304 1.00 1.52 H new ATOM 0 HD12 LEU A 7 136.143 4.423 0.324 1.00 1.52 H new ATOM 0 HD13 LEU A 7 134.529 4.737 -0.358 1.00 1.52 H new ATOM 0 HD21 LEU A 7 135.465 5.447 -3.191 1.00 2.00 H new ATOM 0 HD22 LEU A 7 134.261 6.353 -2.244 1.00 2.00 H new ATOM 0 HD23 LEU A 7 135.685 7.190 -2.908 1.00 2.00 H new ATOM 115 N HIS A 8 135.277 10.162 -1.281 1.00 1.22 N ATOM 116 CA HIS A 8 134.495 11.403 -1.025 1.00 1.24 C ATOM 117 C HIS A 8 133.032 11.164 -1.399 1.00 1.13 C ATOM 118 O HIS A 8 132.623 10.052 -1.669 1.00 1.28 O ATOM 119 CB HIS A 8 135.059 12.543 -1.875 1.00 1.41 C ATOM 120 CG HIS A 8 135.962 13.400 -1.031 1.00 2.05 C ATOM 121 ND1 HIS A 8 137.335 13.440 -1.224 1.00 2.71 N ATOM 122 CD2 HIS A 8 135.706 14.253 0.014 1.00 2.95 C ATOM 123 CE1 HIS A 8 137.847 14.291 -0.316 1.00 3.57 C ATOM 124 NE2 HIS A 8 136.897 14.814 0.464 1.00 3.75 N ATOM 0 H HIS A 8 135.257 9.828 -2.245 1.00 1.22 H new ATOM 0 HA HIS A 8 134.563 11.668 0.030 1.00 1.24 H new ATOM 0 HB2 HIS A 8 135.612 12.139 -2.723 1.00 1.41 H new ATOM 0 HB3 HIS A 8 134.246 13.144 -2.282 1.00 1.41 H new ATOM 0 HD2 HIS A 8 134.728 14.458 0.424 1.00 2.95 H new ATOM 0 HE1 HIS A 8 138.898 14.523 -0.229 1.00 3.57 H new ATOM 0 HE2 HIS A 8 137.019 15.481 1.226 1.00 3.75 H new ATOM 132 N LYS A 9 132.241 12.200 -1.419 1.00 1.08 N ATOM 133 CA LYS A 9 130.804 12.033 -1.777 1.00 0.99 C ATOM 134 C LYS A 9 130.378 13.167 -2.712 1.00 1.00 C ATOM 135 O LYS A 9 130.672 14.322 -2.478 1.00 1.15 O ATOM 136 CB LYS A 9 129.953 12.071 -0.506 1.00 1.03 C ATOM 137 CG LYS A 9 130.600 11.194 0.569 1.00 1.09 C ATOM 138 CD LYS A 9 129.528 10.712 1.548 1.00 1.28 C ATOM 139 CE LYS A 9 129.885 9.310 2.046 1.00 1.77 C ATOM 140 NZ LYS A 9 129.504 9.181 3.481 1.00 2.13 N ATOM 0 H LYS A 9 132.527 13.155 -1.203 1.00 1.08 H new ATOM 0 HA LYS A 9 130.663 11.076 -2.279 1.00 0.99 H new ATOM 0 HB2 LYS A 9 129.862 13.096 -0.147 1.00 1.03 H new ATOM 0 HB3 LYS A 9 128.944 11.717 -0.720 1.00 1.03 H new ATOM 0 HG2 LYS A 9 131.096 10.340 0.107 1.00 1.09 H new ATOM 0 HG3 LYS A 9 131.366 11.758 1.101 1.00 1.09 H new ATOM 0 HD2 LYS A 9 129.453 11.400 2.390 1.00 1.28 H new ATOM 0 HD3 LYS A 9 128.554 10.699 1.059 1.00 1.28 H new ATOM 0 HE2 LYS A 9 129.366 8.558 1.452 1.00 1.77 H new ATOM 0 HE3 LYS A 9 130.953 9.130 1.925 1.00 1.77 H new ATOM 0 HZ1 LYS A 9 130.337 8.900 4.037 1.00 2.13 H new ATOM 0 HZ2 LYS A 9 129.147 10.094 3.829 1.00 2.13 H new ATOM 0 HZ3 LYS A 9 128.762 8.459 3.580 1.00 2.13 H new ATOM 154 N GLU A 10 129.687 12.844 -3.772 1.00 0.92 N ATOM 155 CA GLU A 10 129.243 13.901 -4.724 1.00 0.98 C ATOM 156 C GLU A 10 127.805 14.313 -4.399 1.00 0.94 C ATOM 157 O GLU A 10 127.040 13.531 -3.870 1.00 0.87 O ATOM 158 CB GLU A 10 129.304 13.358 -6.153 1.00 1.01 C ATOM 159 CG GLU A 10 130.765 13.221 -6.585 1.00 1.17 C ATOM 160 CD GLU A 10 131.352 14.609 -6.846 1.00 1.54 C ATOM 161 OE1 GLU A 10 131.773 15.242 -5.892 1.00 2.05 O ATOM 162 OE2 GLU A 10 131.372 15.015 -7.996 1.00 2.02 O ATOM 0 H GLU A 10 129.411 11.894 -4.019 1.00 0.92 H new ATOM 0 HA GLU A 10 129.898 14.767 -4.634 1.00 0.98 H new ATOM 0 HB2 GLU A 10 128.805 12.390 -6.207 1.00 1.01 H new ATOM 0 HB3 GLU A 10 128.775 14.028 -6.831 1.00 1.01 H new ATOM 0 HG2 GLU A 10 131.338 12.712 -5.810 1.00 1.17 H new ATOM 0 HG3 GLU A 10 130.833 12.610 -7.485 1.00 1.17 H new ATOM 169 N PRO A 11 127.483 15.536 -4.731 1.00 1.02 N ATOM 170 CA PRO A 11 126.134 16.121 -4.499 1.00 1.03 C ATOM 171 C PRO A 11 125.145 15.619 -5.555 1.00 0.99 C ATOM 172 O PRO A 11 125.452 15.564 -6.730 1.00 1.06 O ATOM 173 CB PRO A 11 126.368 17.623 -4.642 1.00 1.19 C ATOM 174 CG PRO A 11 127.605 17.781 -5.530 1.00 1.27 C ATOM 175 CD PRO A 11 128.424 16.493 -5.380 1.00 1.17 C ATOM 0 HA PRO A 11 125.708 15.850 -3.533 1.00 1.03 H new ATOM 0 HB2 PRO A 11 125.502 18.111 -5.090 1.00 1.19 H new ATOM 0 HB3 PRO A 11 126.526 18.087 -3.668 1.00 1.19 H new ATOM 0 HG2 PRO A 11 127.317 17.938 -6.570 1.00 1.27 H new ATOM 0 HG3 PRO A 11 128.190 18.649 -5.227 1.00 1.27 H new ATOM 0 HD2 PRO A 11 128.765 16.123 -6.347 1.00 1.17 H new ATOM 0 HD3 PRO A 11 129.312 16.654 -4.769 1.00 1.17 H new ATOM 183 N ALA A 12 123.961 15.252 -5.147 1.00 0.94 N ATOM 184 CA ALA A 12 122.956 14.755 -6.129 1.00 0.96 C ATOM 185 C ALA A 12 121.559 15.209 -5.700 1.00 0.99 C ATOM 186 O ALA A 12 121.340 15.587 -4.567 1.00 1.08 O ATOM 187 CB ALA A 12 123.003 13.227 -6.177 1.00 0.91 C ATOM 0 H ALA A 12 123.646 15.275 -4.177 1.00 0.94 H new ATOM 0 HA ALA A 12 123.182 15.156 -7.117 1.00 0.96 H new ATOM 0 HB1 ALA A 12 122.268 12.863 -6.895 1.00 0.91 H new ATOM 0 HB2 ALA A 12 123.998 12.903 -6.480 1.00 0.91 H new ATOM 0 HB3 ALA A 12 122.776 12.825 -5.190 1.00 0.91 H new ATOM 193 N THR A 13 120.611 15.174 -6.597 1.00 0.97 N ATOM 194 CA THR A 13 119.230 15.604 -6.236 1.00 1.02 C ATOM 195 C THR A 13 118.266 14.431 -6.421 1.00 0.98 C ATOM 196 O THR A 13 118.613 13.412 -6.984 1.00 1.09 O ATOM 197 CB THR A 13 118.803 16.764 -7.138 1.00 1.12 C ATOM 198 OG1 THR A 13 119.945 17.531 -7.493 1.00 1.31 O ATOM 199 CG2 THR A 13 117.803 17.649 -6.392 1.00 1.32 C ATOM 0 H THR A 13 120.733 14.867 -7.562 1.00 0.97 H new ATOM 0 HA THR A 13 119.211 15.929 -5.196 1.00 1.02 H new ATOM 0 HB THR A 13 118.335 16.371 -8.040 1.00 1.12 H new ATOM 0 HG1 THR A 13 119.673 18.273 -8.072 1.00 1.31 H new ATOM 0 HG21 THR A 13 117.499 18.475 -7.034 1.00 1.32 H new ATOM 0 HG22 THR A 13 116.928 17.059 -6.120 1.00 1.32 H new ATOM 0 HG23 THR A 13 118.269 18.044 -5.489 1.00 1.32 H new ATOM 207 N LEU A 14 117.057 14.564 -5.949 1.00 1.02 N ATOM 208 CA LEU A 14 116.073 13.455 -6.097 1.00 1.00 C ATOM 209 C LEU A 14 115.290 13.629 -7.402 1.00 1.04 C ATOM 210 O LEU A 14 114.915 14.724 -7.772 1.00 1.18 O ATOM 211 CB LEU A 14 115.102 13.473 -4.915 1.00 1.06 C ATOM 212 CG LEU A 14 114.015 12.419 -5.131 1.00 1.03 C ATOM 213 CD1 LEU A 14 114.626 11.023 -5.004 1.00 1.36 C ATOM 214 CD2 LEU A 14 112.920 12.593 -4.076 1.00 1.36 C ATOM 0 H LEU A 14 116.708 15.393 -5.467 1.00 1.02 H new ATOM 0 HA LEU A 14 116.604 12.503 -6.119 1.00 1.00 H new ATOM 0 HB2 LEU A 14 115.638 13.273 -3.987 1.00 1.06 H new ATOM 0 HB3 LEU A 14 114.651 14.460 -4.816 1.00 1.06 H new ATOM 0 HG LEU A 14 113.585 12.539 -6.125 1.00 1.03 H new ATOM 0 HD11 LEU A 14 113.852 10.272 -5.158 1.00 1.36 H new ATOM 0 HD12 LEU A 14 115.407 10.898 -5.754 1.00 1.36 H new ATOM 0 HD13 LEU A 14 115.056 10.903 -4.009 1.00 1.36 H new ATOM 0 HD21 LEU A 14 112.145 11.842 -4.229 1.00 1.36 H new ATOM 0 HD22 LEU A 14 113.350 12.473 -3.082 1.00 1.36 H new ATOM 0 HD23 LEU A 14 112.484 13.588 -4.165 1.00 1.36 H new ATOM 226 N ILE A 15 115.035 12.555 -8.098 1.00 0.98 N ATOM 227 CA ILE A 15 114.271 12.654 -9.374 1.00 1.06 C ATOM 228 C ILE A 15 112.946 11.904 -9.225 1.00 1.06 C ATOM 229 O ILE A 15 111.882 12.488 -9.264 1.00 1.18 O ATOM 230 CB ILE A 15 115.085 12.028 -10.508 1.00 1.07 C ATOM 231 CG1 ILE A 15 116.331 12.877 -10.769 1.00 1.11 C ATOM 232 CG2 ILE A 15 114.237 11.969 -11.780 1.00 1.18 C ATOM 233 CD1 ILE A 15 117.031 12.376 -12.034 1.00 1.20 C ATOM 0 H ILE A 15 115.323 11.612 -7.838 1.00 0.98 H new ATOM 0 HA ILE A 15 114.077 13.702 -9.604 1.00 1.06 H new ATOM 0 HB ILE A 15 115.382 11.018 -10.224 1.00 1.07 H new ATOM 0 HG12 ILE A 15 116.053 13.925 -10.884 1.00 1.11 H new ATOM 0 HG13 ILE A 15 117.009 12.819 -9.918 1.00 1.11 H new ATOM 0 HG21 ILE A 15 114.820 11.523 -12.586 1.00 1.18 H new ATOM 0 HG22 ILE A 15 113.348 11.365 -11.597 1.00 1.18 H new ATOM 0 HG23 ILE A 15 113.938 12.978 -12.065 1.00 1.18 H new ATOM 0 HD11 ILE A 15 117.919 12.980 -12.222 1.00 1.20 H new ATOM 0 HD12 ILE A 15 117.322 11.334 -11.900 1.00 1.20 H new ATOM 0 HD13 ILE A 15 116.351 12.457 -12.882 1.00 1.20 H new ATOM 245 N LYS A 16 113.005 10.612 -9.048 1.00 0.97 N ATOM 246 CA LYS A 16 111.753 9.821 -8.890 1.00 0.99 C ATOM 247 C LYS A 16 112.101 8.418 -8.388 1.00 0.90 C ATOM 248 O LYS A 16 112.719 7.634 -9.081 1.00 0.91 O ATOM 249 CB LYS A 16 111.035 9.722 -10.239 1.00 1.11 C ATOM 250 CG LYS A 16 111.921 8.981 -11.242 1.00 1.19 C ATOM 251 CD LYS A 16 111.362 9.170 -12.653 1.00 1.83 C ATOM 252 CE LYS A 16 110.783 7.846 -13.155 1.00 2.42 C ATOM 253 NZ LYS A 16 109.296 7.897 -13.088 1.00 3.01 N ATOM 0 H LYS A 16 113.868 10.070 -9.006 1.00 0.97 H new ATOM 0 HA LYS A 16 111.099 10.313 -8.170 1.00 0.99 H new ATOM 0 HB2 LYS A 16 110.087 9.197 -10.120 1.00 1.11 H new ATOM 0 HB3 LYS A 16 110.802 10.719 -10.612 1.00 1.11 H new ATOM 0 HG2 LYS A 16 112.942 9.359 -11.190 1.00 1.19 H new ATOM 0 HG3 LYS A 16 111.961 7.920 -10.994 1.00 1.19 H new ATOM 0 HD2 LYS A 16 110.589 9.939 -12.649 1.00 1.83 H new ATOM 0 HD3 LYS A 16 112.149 9.513 -13.325 1.00 1.83 H new ATOM 0 HE2 LYS A 16 111.105 7.661 -14.180 1.00 2.42 H new ATOM 0 HE3 LYS A 16 111.157 7.020 -12.549 1.00 2.42 H new ATOM 0 HZ1 LYS A 16 108.902 6.997 -13.429 1.00 3.01 H new ATOM 0 HZ2 LYS A 16 108.998 8.055 -12.104 1.00 3.01 H new ATOM 0 HZ3 LYS A 16 108.948 8.675 -13.684 1.00 3.01 H new ATOM 267 N ALA A 17 111.714 8.095 -7.184 1.00 0.84 N ATOM 268 CA ALA A 17 112.026 6.745 -6.638 1.00 0.78 C ATOM 269 C ALA A 17 110.971 5.744 -7.115 1.00 0.86 C ATOM 270 O ALA A 17 109.844 6.102 -7.392 1.00 0.98 O ATOM 271 CB ALA A 17 112.022 6.801 -5.110 1.00 0.74 C ATOM 0 H ALA A 17 111.195 8.708 -6.555 1.00 0.84 H new ATOM 0 HA ALA A 17 113.009 6.430 -6.988 1.00 0.78 H new ATOM 0 HB1 ALA A 17 112.250 5.813 -4.709 1.00 0.74 H new ATOM 0 HB2 ALA A 17 112.774 7.513 -4.770 1.00 0.74 H new ATOM 0 HB3 ALA A 17 111.039 7.116 -4.760 1.00 0.74 H new ATOM 277 N ILE A 18 111.328 4.492 -7.212 1.00 0.86 N ATOM 278 CA ILE A 18 110.344 3.472 -7.671 1.00 0.97 C ATOM 279 C ILE A 18 110.184 2.397 -6.594 1.00 0.95 C ATOM 280 O ILE A 18 109.108 2.184 -6.071 1.00 1.13 O ATOM 281 CB ILE A 18 110.844 2.825 -8.964 1.00 1.04 C ATOM 282 CG1 ILE A 18 110.801 3.853 -10.097 1.00 1.16 C ATOM 283 CG2 ILE A 18 109.948 1.637 -9.320 1.00 1.21 C ATOM 284 CD1 ILE A 18 111.607 3.333 -11.289 1.00 1.27 C ATOM 0 H ILE A 18 112.257 4.132 -6.993 1.00 0.86 H new ATOM 0 HA ILE A 18 109.382 3.952 -7.853 1.00 0.97 H new ATOM 0 HB ILE A 18 111.868 2.479 -8.825 1.00 1.04 H new ATOM 0 HG12 ILE A 18 109.769 4.038 -10.395 1.00 1.16 H new ATOM 0 HG13 ILE A 18 111.210 4.804 -9.755 1.00 1.16 H new ATOM 0 HG21 ILE A 18 110.304 1.176 -10.241 1.00 1.21 H new ATOM 0 HG22 ILE A 18 109.977 0.905 -8.513 1.00 1.21 H new ATOM 0 HG23 ILE A 18 108.924 1.983 -9.460 1.00 1.21 H new ATOM 0 HD11 ILE A 18 111.576 4.065 -12.096 1.00 1.27 H new ATOM 0 HD12 ILE A 18 112.641 3.170 -10.986 1.00 1.27 H new ATOM 0 HD13 ILE A 18 111.178 2.393 -11.636 1.00 1.27 H new ATOM 296 N ASP A 19 111.246 1.717 -6.259 1.00 0.82 N ATOM 297 CA ASP A 19 111.153 0.657 -5.217 1.00 0.83 C ATOM 298 C ASP A 19 112.067 1.011 -4.043 1.00 0.75 C ATOM 299 O ASP A 19 112.561 2.116 -3.940 1.00 0.72 O ATOM 300 CB ASP A 19 111.585 -0.683 -5.816 1.00 0.87 C ATOM 301 CG ASP A 19 110.355 -1.428 -6.338 1.00 1.14 C ATOM 302 OD1 ASP A 19 109.348 -0.779 -6.568 1.00 1.79 O ATOM 303 OD2 ASP A 19 110.441 -2.634 -6.497 1.00 1.61 O ATOM 0 H ASP A 19 112.174 1.850 -6.662 1.00 0.82 H new ATOM 0 HA ASP A 19 110.124 0.583 -4.864 1.00 0.83 H new ATOM 0 HB2 ASP A 19 112.295 -0.519 -6.626 1.00 0.87 H new ATOM 0 HB3 ASP A 19 112.094 -1.283 -5.062 1.00 0.87 H new ATOM 308 N GLY A 20 112.294 0.082 -3.155 1.00 0.76 N ATOM 309 CA GLY A 20 113.174 0.367 -1.987 1.00 0.71 C ATOM 310 C GLY A 20 114.641 0.256 -2.406 1.00 0.64 C ATOM 311 O GLY A 20 115.522 0.790 -1.763 1.00 0.72 O ATOM 0 H GLY A 20 111.908 -0.862 -3.188 1.00 0.76 H new ATOM 0 HA2 GLY A 20 112.971 1.366 -1.602 1.00 0.71 H new ATOM 0 HA3 GLY A 20 112.962 -0.335 -1.180 1.00 0.71 H new ATOM 315 N ASP A 21 114.912 -0.434 -3.481 1.00 0.67 N ATOM 316 CA ASP A 21 116.323 -0.577 -3.938 1.00 0.63 C ATOM 317 C ASP A 21 116.518 0.195 -5.245 1.00 0.60 C ATOM 318 O ASP A 21 117.621 0.553 -5.607 1.00 0.68 O ATOM 319 CB ASP A 21 116.640 -2.056 -4.167 1.00 0.77 C ATOM 320 CG ASP A 21 116.977 -2.721 -2.830 1.00 1.31 C ATOM 321 OD1 ASP A 21 116.911 -2.040 -1.820 1.00 2.04 O ATOM 322 OD2 ASP A 21 117.295 -3.898 -2.840 1.00 2.10 O ATOM 0 H ASP A 21 114.218 -0.904 -4.062 1.00 0.67 H new ATOM 0 HA ASP A 21 116.992 -0.177 -3.176 1.00 0.63 H new ATOM 0 HB2 ASP A 21 115.787 -2.554 -4.628 1.00 0.77 H new ATOM 0 HB3 ASP A 21 117.478 -2.156 -4.856 1.00 0.77 H new ATOM 327 N THR A 22 115.455 0.452 -5.957 1.00 0.67 N ATOM 328 CA THR A 22 115.582 1.200 -7.239 1.00 0.70 C ATOM 329 C THR A 22 115.150 2.652 -7.028 1.00 0.67 C ATOM 330 O THR A 22 114.003 2.933 -6.741 1.00 0.71 O ATOM 331 CB THR A 22 114.689 0.549 -8.299 1.00 0.80 C ATOM 332 OG1 THR A 22 114.697 -0.861 -8.119 1.00 0.93 O ATOM 333 CG2 THR A 22 115.217 0.891 -9.692 1.00 0.96 C ATOM 0 H THR A 22 114.505 0.177 -5.707 1.00 0.67 H new ATOM 0 HA THR A 22 116.619 1.176 -7.573 1.00 0.70 H new ATOM 0 HB THR A 22 113.670 0.923 -8.198 1.00 0.80 H new ATOM 0 HG1 THR A 22 114.125 -1.280 -8.795 1.00 0.93 H new ATOM 0 HG21 THR A 22 114.581 0.427 -10.446 1.00 0.96 H new ATOM 0 HG22 THR A 22 115.212 1.972 -9.828 1.00 0.96 H new ATOM 0 HG23 THR A 22 116.236 0.517 -9.797 1.00 0.96 H new ATOM 341 N VAL A 23 116.059 3.579 -7.165 1.00 0.69 N ATOM 342 CA VAL A 23 115.697 5.012 -6.969 1.00 0.69 C ATOM 343 C VAL A 23 116.361 5.862 -8.055 1.00 0.73 C ATOM 344 O VAL A 23 117.540 5.740 -8.318 1.00 0.76 O ATOM 345 CB VAL A 23 116.181 5.476 -5.594 1.00 0.70 C ATOM 346 CG1 VAL A 23 115.491 4.654 -4.505 1.00 0.64 C ATOM 347 CG2 VAL A 23 117.696 5.284 -5.494 1.00 0.83 C ATOM 0 H VAL A 23 117.035 3.406 -7.404 1.00 0.69 H new ATOM 0 HA VAL A 23 114.615 5.124 -7.032 1.00 0.69 H new ATOM 0 HB VAL A 23 115.938 6.530 -5.462 1.00 0.70 H new ATOM 0 HG11 VAL A 23 115.836 4.985 -3.526 1.00 0.64 H new ATOM 0 HG12 VAL A 23 114.412 4.791 -4.575 1.00 0.64 H new ATOM 0 HG13 VAL A 23 115.732 3.599 -4.637 1.00 0.64 H new ATOM 0 HG21 VAL A 23 118.041 5.615 -4.514 1.00 0.83 H new ATOM 0 HG22 VAL A 23 117.939 4.230 -5.627 1.00 0.83 H new ATOM 0 HG23 VAL A 23 118.189 5.871 -6.269 1.00 0.83 H new ATOM 357 N LYS A 24 115.611 6.724 -8.685 1.00 0.80 N ATOM 358 CA LYS A 24 116.198 7.583 -9.752 1.00 0.86 C ATOM 359 C LYS A 24 116.681 8.899 -9.138 1.00 0.84 C ATOM 360 O LYS A 24 115.958 9.564 -8.424 1.00 0.86 O ATOM 361 CB LYS A 24 115.136 7.876 -10.813 1.00 0.97 C ATOM 362 CG LYS A 24 115.798 7.963 -12.190 1.00 1.06 C ATOM 363 CD LYS A 24 115.182 6.916 -13.120 1.00 1.27 C ATOM 364 CE LYS A 24 114.253 7.608 -14.119 1.00 1.74 C ATOM 365 NZ LYS A 24 115.060 8.172 -15.238 1.00 2.18 N ATOM 0 H LYS A 24 114.617 6.871 -8.507 1.00 0.80 H new ATOM 0 HA LYS A 24 117.039 7.066 -10.213 1.00 0.86 H new ATOM 0 HB2 LYS A 24 114.379 7.092 -10.811 1.00 0.97 H new ATOM 0 HB3 LYS A 24 114.626 8.812 -10.583 1.00 0.97 H new ATOM 0 HG2 LYS A 24 115.663 8.961 -12.608 1.00 1.06 H new ATOM 0 HG3 LYS A 24 116.872 7.798 -12.100 1.00 1.06 H new ATOM 0 HD2 LYS A 24 115.967 6.377 -13.650 1.00 1.27 H new ATOM 0 HD3 LYS A 24 114.626 6.180 -12.539 1.00 1.27 H new ATOM 0 HE2 LYS A 24 113.522 6.897 -14.505 1.00 1.74 H new ATOM 0 HE3 LYS A 24 113.694 8.402 -13.623 1.00 1.74 H new ATOM 0 HZ1 LYS A 24 114.472 8.823 -15.796 1.00 2.18 H new ATOM 0 HZ2 LYS A 24 115.877 8.687 -14.852 1.00 2.18 H new ATOM 0 HZ3 LYS A 24 115.395 7.399 -15.848 1.00 2.18 H new ATOM 379 N LEU A 25 117.899 9.281 -9.411 1.00 0.83 N ATOM 380 CA LEU A 25 118.424 10.553 -8.840 1.00 0.83 C ATOM 381 C LEU A 25 119.153 11.343 -9.930 1.00 0.91 C ATOM 382 O LEU A 25 119.687 10.783 -10.867 1.00 1.00 O ATOM 383 CB LEU A 25 119.400 10.240 -7.704 1.00 0.76 C ATOM 384 CG LEU A 25 118.948 8.975 -6.975 1.00 0.70 C ATOM 385 CD1 LEU A 25 119.956 8.631 -5.877 1.00 0.68 C ATOM 386 CD2 LEU A 25 117.574 9.214 -6.346 1.00 0.77 C ATOM 0 H LEU A 25 118.552 8.768 -10.004 1.00 0.83 H new ATOM 0 HA LEU A 25 117.593 11.144 -8.455 1.00 0.83 H new ATOM 0 HB2 LEU A 25 120.405 10.103 -8.102 1.00 0.76 H new ATOM 0 HB3 LEU A 25 119.444 11.077 -7.008 1.00 0.76 H new ATOM 0 HG LEU A 25 118.886 8.149 -7.684 1.00 0.70 H new ATOM 0 HD11 LEU A 25 119.634 7.729 -5.357 1.00 0.68 H new ATOM 0 HD12 LEU A 25 120.936 8.462 -6.323 1.00 0.68 H new ATOM 0 HD13 LEU A 25 120.017 9.456 -5.168 1.00 0.68 H new ATOM 0 HD21 LEU A 25 117.250 8.313 -5.826 1.00 0.77 H new ATOM 0 HD22 LEU A 25 117.637 10.039 -5.637 1.00 0.77 H new ATOM 0 HD23 LEU A 25 116.854 9.461 -7.127 1.00 0.77 H new ATOM 398 N MET A 26 119.182 12.642 -9.810 1.00 0.99 N ATOM 399 CA MET A 26 119.879 13.471 -10.832 1.00 1.07 C ATOM 400 C MET A 26 121.364 13.558 -10.480 1.00 1.04 C ATOM 401 O MET A 26 121.747 14.193 -9.517 1.00 1.06 O ATOM 402 CB MET A 26 119.274 14.877 -10.847 1.00 1.18 C ATOM 403 CG MET A 26 120.156 15.805 -11.684 1.00 1.33 C ATOM 404 SD MET A 26 119.130 16.693 -12.881 1.00 1.78 S ATOM 405 CE MET A 26 118.605 15.253 -13.842 1.00 2.31 C ATOM 0 H MET A 26 118.752 13.165 -9.047 1.00 0.99 H new ATOM 0 HA MET A 26 119.762 13.017 -11.816 1.00 1.07 H new ATOM 0 HB2 MET A 26 118.266 14.846 -11.260 1.00 1.18 H new ATOM 0 HB3 MET A 26 119.190 15.259 -9.829 1.00 1.18 H new ATOM 0 HG2 MET A 26 120.674 16.513 -11.037 1.00 1.33 H new ATOM 0 HG3 MET A 26 120.921 15.227 -12.202 1.00 1.33 H new ATOM 0 HE1 MET A 26 118.687 15.476 -14.906 1.00 2.31 H new ATOM 0 HE2 MET A 26 119.241 14.402 -13.599 1.00 2.31 H new ATOM 0 HE3 MET A 26 117.570 15.012 -13.601 1.00 2.31 H new ATOM 415 N TYR A 27 122.204 12.920 -11.249 1.00 1.02 N ATOM 416 CA TYR A 27 123.662 12.964 -10.954 1.00 1.02 C ATOM 417 C TYR A 27 124.430 13.344 -12.222 1.00 1.11 C ATOM 418 O TYR A 27 124.067 12.966 -13.318 1.00 1.15 O ATOM 419 CB TYR A 27 124.124 11.588 -10.472 1.00 1.00 C ATOM 420 CG TYR A 27 125.596 11.638 -10.142 1.00 1.03 C ATOM 421 CD1 TYR A 27 126.089 12.636 -9.293 1.00 1.07 C ATOM 422 CD2 TYR A 27 126.468 10.688 -10.686 1.00 1.12 C ATOM 423 CE1 TYR A 27 127.455 12.682 -8.987 1.00 1.17 C ATOM 424 CE2 TYR A 27 127.834 10.734 -10.380 1.00 1.22 C ATOM 425 CZ TYR A 27 128.327 11.732 -9.531 1.00 1.23 C ATOM 426 OH TYR A 27 129.673 11.779 -9.230 1.00 1.37 O ATOM 0 H TYR A 27 121.943 12.371 -12.068 1.00 1.02 H new ATOM 0 HA TYR A 27 123.854 13.706 -10.179 1.00 1.02 H new ATOM 0 HB2 TYR A 27 123.553 11.288 -9.593 1.00 1.00 H new ATOM 0 HB3 TYR A 27 123.938 10.840 -11.243 1.00 1.00 H new ATOM 0 HD1 TYR A 27 125.416 13.370 -8.874 1.00 1.07 H new ATOM 0 HD2 TYR A 27 126.087 9.919 -11.342 1.00 1.12 H new ATOM 0 HE1 TYR A 27 127.836 13.451 -8.331 1.00 1.17 H new ATOM 0 HE2 TYR A 27 128.507 10.000 -10.799 1.00 1.22 H new ATOM 0 HH TYR A 27 130.136 11.047 -9.689 1.00 1.37 H new ATOM 436 N LYS A 28 125.492 14.089 -12.081 1.00 1.19 N ATOM 437 CA LYS A 28 126.286 14.493 -13.276 1.00 1.32 C ATOM 438 C LYS A 28 125.391 15.257 -14.256 1.00 1.36 C ATOM 439 O LYS A 28 125.630 15.272 -15.447 1.00 1.46 O ATOM 440 CB LYS A 28 126.846 13.245 -13.962 1.00 1.35 C ATOM 441 CG LYS A 28 127.920 12.613 -13.074 1.00 1.42 C ATOM 442 CD LYS A 28 129.082 12.127 -13.943 1.00 1.57 C ATOM 443 CE LYS A 28 128.678 10.842 -14.667 1.00 1.91 C ATOM 444 NZ LYS A 28 128.353 11.155 -16.088 1.00 2.37 N ATOM 0 H LYS A 28 125.845 14.436 -11.189 1.00 1.19 H new ATOM 0 HA LYS A 28 127.108 15.136 -12.962 1.00 1.32 H new ATOM 0 HB2 LYS A 28 126.045 12.529 -14.148 1.00 1.35 H new ATOM 0 HB3 LYS A 28 127.269 13.509 -14.931 1.00 1.35 H new ATOM 0 HG2 LYS A 28 128.277 13.340 -12.344 1.00 1.42 H new ATOM 0 HG3 LYS A 28 127.498 11.779 -12.513 1.00 1.42 H new ATOM 0 HD2 LYS A 28 129.353 12.895 -14.668 1.00 1.57 H new ATOM 0 HD3 LYS A 28 129.961 11.947 -13.325 1.00 1.57 H new ATOM 0 HE2 LYS A 28 129.488 10.115 -14.620 1.00 1.91 H new ATOM 0 HE3 LYS A 28 127.816 10.391 -14.176 1.00 1.91 H new ATOM 0 HZ1 LYS A 28 128.227 10.269 -16.618 1.00 2.37 H new ATOM 0 HZ2 LYS A 28 127.475 11.711 -16.129 1.00 2.37 H new ATOM 0 HZ3 LYS A 28 129.130 11.703 -16.509 1.00 2.37 H new ATOM 458 N GLY A 29 124.363 15.894 -13.764 1.00 1.32 N ATOM 459 CA GLY A 29 123.458 16.659 -14.669 1.00 1.39 C ATOM 460 C GLY A 29 122.727 15.696 -15.607 1.00 1.37 C ATOM 461 O GLY A 29 122.525 15.981 -16.770 1.00 1.50 O ATOM 0 H GLY A 29 124.111 15.918 -12.776 1.00 1.32 H new ATOM 0 HA2 GLY A 29 122.736 17.227 -14.082 1.00 1.39 H new ATOM 0 HA3 GLY A 29 124.034 17.380 -15.250 1.00 1.39 H new ATOM 465 N GLN A 30 122.327 14.556 -15.112 1.00 1.26 N ATOM 466 CA GLN A 30 121.610 13.579 -15.978 1.00 1.26 C ATOM 467 C GLN A 30 120.820 12.601 -15.104 1.00 1.18 C ATOM 468 O GLN A 30 121.206 12.317 -13.989 1.00 1.12 O ATOM 469 CB GLN A 30 122.627 12.805 -16.817 1.00 1.29 C ATOM 470 CG GLN A 30 123.724 12.247 -15.908 1.00 1.27 C ATOM 471 CD GLN A 30 124.654 11.347 -16.725 1.00 1.42 C ATOM 472 OE1 GLN A 30 124.731 10.158 -16.485 1.00 2.05 O ATOM 473 NE2 GLN A 30 125.368 11.867 -17.685 1.00 1.65 N ATOM 0 H GLN A 30 122.466 14.260 -14.146 1.00 1.26 H new ATOM 0 HA GLN A 30 120.923 14.112 -16.635 1.00 1.26 H new ATOM 0 HB2 GLN A 30 122.132 11.992 -17.348 1.00 1.29 H new ATOM 0 HB3 GLN A 30 123.064 13.459 -17.572 1.00 1.29 H new ATOM 0 HG2 GLN A 30 124.291 13.064 -15.461 1.00 1.27 H new ATOM 0 HG3 GLN A 30 123.280 11.681 -15.089 1.00 1.27 H new ATOM 0 HE21 GLN A 30 125.303 12.865 -17.886 1.00 1.65 H new ATOM 0 HE22 GLN A 30 125.991 11.276 -18.235 1.00 1.65 H new ATOM 482 N PRO A 31 119.735 12.114 -15.645 1.00 1.21 N ATOM 483 CA PRO A 31 118.836 11.148 -14.952 1.00 1.16 C ATOM 484 C PRO A 31 119.468 9.754 -14.932 1.00 1.12 C ATOM 485 O PRO A 31 119.562 9.090 -15.945 1.00 1.17 O ATOM 486 CB PRO A 31 117.571 11.162 -15.809 1.00 1.26 C ATOM 487 CG PRO A 31 118.011 11.603 -17.207 1.00 1.35 C ATOM 488 CD PRO A 31 119.265 12.462 -17.016 1.00 1.32 C ATOM 0 HA PRO A 31 118.643 11.408 -13.911 1.00 1.16 H new ATOM 0 HB2 PRO A 31 117.109 10.175 -15.839 1.00 1.26 H new ATOM 0 HB3 PRO A 31 116.830 11.848 -15.399 1.00 1.26 H new ATOM 0 HG2 PRO A 31 118.224 10.740 -17.837 1.00 1.35 H new ATOM 0 HG3 PRO A 31 117.223 12.171 -17.701 1.00 1.35 H new ATOM 0 HD2 PRO A 31 120.022 12.236 -17.767 1.00 1.32 H new ATOM 0 HD3 PRO A 31 119.038 13.525 -17.102 1.00 1.32 H new ATOM 496 N MET A 32 119.906 9.307 -13.787 1.00 1.07 N ATOM 497 CA MET A 32 120.535 7.959 -13.707 1.00 1.05 C ATOM 498 C MET A 32 119.876 7.150 -12.589 1.00 0.96 C ATOM 499 O MET A 32 119.600 7.659 -11.521 1.00 0.95 O ATOM 500 CB MET A 32 122.028 8.109 -13.409 1.00 1.07 C ATOM 501 CG MET A 32 122.821 8.029 -14.714 1.00 1.21 C ATOM 502 SD MET A 32 124.591 7.971 -14.341 1.00 1.65 S ATOM 503 CE MET A 32 124.627 6.293 -13.665 1.00 1.62 C ATOM 0 H MET A 32 119.855 9.816 -12.905 1.00 1.07 H new ATOM 0 HA MET A 32 120.401 7.442 -14.657 1.00 1.05 H new ATOM 0 HB2 MET A 32 122.217 9.062 -12.915 1.00 1.07 H new ATOM 0 HB3 MET A 32 122.353 7.325 -12.725 1.00 1.07 H new ATOM 0 HG2 MET A 32 122.528 7.143 -15.277 1.00 1.21 H new ATOM 0 HG3 MET A 32 122.599 8.893 -15.341 1.00 1.21 H new ATOM 0 HE1 MET A 32 125.602 5.845 -13.856 1.00 1.62 H new ATOM 0 HE2 MET A 32 124.449 6.330 -12.590 1.00 1.62 H new ATOM 0 HE3 MET A 32 123.852 5.692 -14.141 1.00 1.62 H new ATOM 513 N THR A 33 119.630 5.890 -12.823 1.00 0.95 N ATOM 514 CA THR A 33 118.999 5.048 -11.769 1.00 0.88 C ATOM 515 C THR A 33 120.053 4.693 -10.719 1.00 0.81 C ATOM 516 O THR A 33 121.239 4.747 -10.976 1.00 0.95 O ATOM 517 CB THR A 33 118.450 3.767 -12.400 1.00 0.94 C ATOM 518 OG1 THR A 33 118.287 3.962 -13.798 1.00 1.10 O ATOM 519 CG2 THR A 33 117.099 3.423 -11.770 1.00 1.03 C ATOM 0 H THR A 33 119.839 5.408 -13.697 1.00 0.95 H new ATOM 0 HA THR A 33 118.182 5.595 -11.299 1.00 0.88 H new ATOM 0 HB THR A 33 119.148 2.948 -12.226 1.00 0.94 H new ATOM 0 HG1 THR A 33 117.937 3.142 -14.204 1.00 1.10 H new ATOM 0 HG21 THR A 33 116.709 2.510 -12.221 1.00 1.03 H new ATOM 0 HG22 THR A 33 117.225 3.273 -10.698 1.00 1.03 H new ATOM 0 HG23 THR A 33 116.399 4.240 -11.942 1.00 1.03 H new ATOM 527 N PHE A 34 119.634 4.335 -9.537 1.00 0.72 N ATOM 528 CA PHE A 34 120.620 3.982 -8.478 1.00 0.65 C ATOM 529 C PHE A 34 120.126 2.755 -7.709 1.00 0.62 C ATOM 530 O PHE A 34 119.081 2.778 -7.089 1.00 0.68 O ATOM 531 CB PHE A 34 120.778 5.162 -7.516 1.00 0.65 C ATOM 532 CG PHE A 34 121.716 6.180 -8.119 1.00 0.70 C ATOM 533 CD1 PHE A 34 121.230 7.136 -9.020 1.00 0.76 C ATOM 534 CD2 PHE A 34 123.073 6.168 -7.776 1.00 0.72 C ATOM 535 CE1 PHE A 34 122.103 8.079 -9.579 1.00 0.83 C ATOM 536 CE2 PHE A 34 123.945 7.110 -8.334 1.00 0.80 C ATOM 537 CZ PHE A 34 123.460 8.066 -9.236 1.00 0.84 C ATOM 0 H PHE A 34 118.655 4.272 -9.259 1.00 0.72 H new ATOM 0 HA PHE A 34 121.583 3.757 -8.937 1.00 0.65 H new ATOM 0 HB2 PHE A 34 119.807 5.617 -7.319 1.00 0.65 H new ATOM 0 HB3 PHE A 34 121.167 4.815 -6.559 1.00 0.65 H new ATOM 0 HD1 PHE A 34 120.183 7.146 -9.284 1.00 0.76 H new ATOM 0 HD2 PHE A 34 123.447 5.432 -7.080 1.00 0.72 H new ATOM 0 HE1 PHE A 34 121.729 8.816 -10.274 1.00 0.83 H new ATOM 0 HE2 PHE A 34 124.992 7.100 -8.069 1.00 0.80 H new ATOM 0 HZ PHE A 34 124.133 8.793 -9.667 1.00 0.84 H new ATOM 547 N ARG A 35 120.869 1.683 -7.747 1.00 0.67 N ATOM 548 CA ARG A 35 120.444 0.454 -7.022 1.00 0.66 C ATOM 549 C ARG A 35 121.258 0.310 -5.735 1.00 0.59 C ATOM 550 O ARG A 35 122.459 0.124 -5.767 1.00 0.65 O ATOM 551 CB ARG A 35 120.680 -0.768 -7.912 1.00 0.75 C ATOM 552 CG ARG A 35 119.813 -1.930 -7.424 1.00 0.88 C ATOM 553 CD ARG A 35 119.763 -3.017 -8.499 1.00 0.98 C ATOM 554 NE ARG A 35 120.453 -4.240 -8.002 1.00 1.30 N ATOM 555 CZ ARG A 35 120.785 -5.187 -8.835 1.00 1.64 C ATOM 556 NH1 ARG A 35 121.265 -4.884 -10.010 1.00 2.21 N ATOM 557 NH2 ARG A 35 120.636 -6.438 -8.494 1.00 2.33 N ATOM 0 H ARG A 35 121.753 1.606 -8.250 1.00 0.67 H new ATOM 0 HA ARG A 35 119.385 0.527 -6.774 1.00 0.66 H new ATOM 0 HB2 ARG A 35 120.437 -0.529 -8.947 1.00 0.75 H new ATOM 0 HB3 ARG A 35 121.732 -1.051 -7.888 1.00 0.75 H new ATOM 0 HG2 ARG A 35 120.220 -2.338 -6.499 1.00 0.88 H new ATOM 0 HG3 ARG A 35 118.806 -1.578 -7.201 1.00 0.88 H new ATOM 0 HD2 ARG A 35 118.728 -3.247 -8.750 1.00 0.98 H new ATOM 0 HD3 ARG A 35 120.241 -2.663 -9.412 1.00 0.98 H new ATOM 0 HE ARG A 35 120.666 -4.337 -7.009 1.00 1.30 H new ATOM 0 HH11 ARG A 35 121.381 -3.906 -10.277 1.00 2.21 H new ATOM 0 HH12 ARG A 35 121.525 -5.625 -10.661 1.00 2.21 H new ATOM 0 HH21 ARG A 35 120.260 -6.675 -7.576 1.00 2.33 H new ATOM 0 HH22 ARG A 35 120.896 -7.179 -9.146 1.00 2.33 H new ATOM 571 N LEU A 36 120.615 0.391 -4.603 1.00 0.54 N ATOM 572 CA LEU A 36 121.354 0.255 -3.316 1.00 0.51 C ATOM 573 C LEU A 36 122.315 -0.932 -3.406 1.00 0.58 C ATOM 574 O LEU A 36 121.914 -2.049 -3.669 1.00 0.67 O ATOM 575 CB LEU A 36 120.356 0.026 -2.179 1.00 0.49 C ATOM 576 CG LEU A 36 119.332 1.162 -2.160 1.00 0.49 C ATOM 577 CD1 LEU A 36 118.527 1.104 -0.861 1.00 0.51 C ATOM 578 CD2 LEU A 36 120.060 2.506 -2.246 1.00 0.50 C ATOM 0 H LEU A 36 119.611 0.545 -4.513 1.00 0.54 H new ATOM 0 HA LEU A 36 121.921 1.165 -3.120 1.00 0.51 H new ATOM 0 HB2 LEU A 36 119.851 -0.931 -2.312 1.00 0.49 H new ATOM 0 HB3 LEU A 36 120.881 -0.021 -1.225 1.00 0.49 H new ATOM 0 HG LEU A 36 118.658 1.056 -3.010 1.00 0.49 H new ATOM 0 HD11 LEU A 36 117.798 1.914 -0.848 1.00 0.51 H new ATOM 0 HD12 LEU A 36 118.008 0.148 -0.797 1.00 0.51 H new ATOM 0 HD13 LEU A 36 119.201 1.209 -0.011 1.00 0.51 H new ATOM 0 HD21 LEU A 36 119.331 3.316 -2.233 1.00 0.50 H new ATOM 0 HD22 LEU A 36 120.734 2.610 -1.395 1.00 0.50 H new ATOM 0 HD23 LEU A 36 120.634 2.550 -3.171 1.00 0.50 H new ATOM 590 N LEU A 37 123.581 -0.699 -3.195 1.00 0.59 N ATOM 591 CA LEU A 37 124.571 -1.811 -3.275 1.00 0.69 C ATOM 592 C LEU A 37 124.558 -2.612 -1.972 1.00 0.69 C ATOM 593 O LEU A 37 124.361 -2.074 -0.901 1.00 0.67 O ATOM 594 CB LEU A 37 125.969 -1.231 -3.499 1.00 0.75 C ATOM 595 CG LEU A 37 126.529 -1.743 -4.827 1.00 0.85 C ATOM 596 CD1 LEU A 37 127.822 -0.995 -5.157 1.00 0.91 C ATOM 597 CD2 LEU A 37 126.822 -3.241 -4.713 1.00 1.00 C ATOM 0 H LEU A 37 123.974 0.215 -2.970 1.00 0.59 H new ATOM 0 HA LEU A 37 124.308 -2.468 -4.104 1.00 0.69 H new ATOM 0 HB2 LEU A 37 125.925 -0.142 -3.507 1.00 0.75 H new ATOM 0 HB3 LEU A 37 126.628 -1.518 -2.680 1.00 0.75 H new ATOM 0 HG LEU A 37 125.799 -1.574 -5.619 1.00 0.85 H new ATOM 0 HD11 LEU A 37 128.222 -1.359 -6.103 1.00 0.91 H new ATOM 0 HD12 LEU A 37 127.615 0.072 -5.237 1.00 0.91 H new ATOM 0 HD13 LEU A 37 128.552 -1.164 -4.366 1.00 0.91 H new ATOM 0 HD21 LEU A 37 127.221 -3.607 -5.659 1.00 1.00 H new ATOM 0 HD22 LEU A 37 127.552 -3.410 -3.922 1.00 1.00 H new ATOM 0 HD23 LEU A 37 125.901 -3.775 -4.477 1.00 1.00 H new ATOM 609 N LEU A 38 124.772 -3.897 -2.057 1.00 0.76 N ATOM 610 CA LEU A 38 124.779 -4.736 -0.826 1.00 0.80 C ATOM 611 C LEU A 38 123.438 -4.602 -0.102 1.00 0.73 C ATOM 612 O LEU A 38 123.365 -4.691 1.107 1.00 0.75 O ATOM 613 CB LEU A 38 125.905 -4.272 0.099 1.00 0.84 C ATOM 614 CG LEU A 38 127.216 -4.210 -0.685 1.00 0.91 C ATOM 615 CD1 LEU A 38 128.383 -4.022 0.286 1.00 0.99 C ATOM 616 CD2 LEU A 38 127.406 -5.514 -1.462 1.00 1.04 C ATOM 0 H LEU A 38 124.942 -4.402 -2.927 1.00 0.76 H new ATOM 0 HA LEU A 38 124.937 -5.779 -1.101 1.00 0.80 H new ATOM 0 HB2 LEU A 38 125.669 -3.291 0.513 1.00 0.84 H new ATOM 0 HB3 LEU A 38 126.004 -4.957 0.941 1.00 0.84 H new ATOM 0 HG LEU A 38 127.184 -3.372 -1.381 1.00 0.91 H new ATOM 0 HD11 LEU A 38 129.318 -3.978 -0.273 1.00 0.99 H new ATOM 0 HD12 LEU A 38 128.248 -3.094 0.842 1.00 0.99 H new ATOM 0 HD13 LEU A 38 128.416 -4.860 0.982 1.00 0.99 H new ATOM 0 HD21 LEU A 38 128.340 -5.471 -2.022 1.00 1.04 H new ATOM 0 HD22 LEU A 38 127.438 -6.351 -0.765 1.00 1.04 H new ATOM 0 HD23 LEU A 38 126.575 -5.650 -2.154 1.00 1.04 H new ATOM 628 N VAL A 39 122.376 -4.393 -0.830 1.00 0.67 N ATOM 629 CA VAL A 39 121.043 -4.257 -0.178 1.00 0.63 C ATOM 630 C VAL A 39 120.016 -5.096 -0.943 1.00 0.66 C ATOM 631 O VAL A 39 120.140 -5.313 -2.132 1.00 0.73 O ATOM 632 CB VAL A 39 120.608 -2.788 -0.185 1.00 0.58 C ATOM 633 CG1 VAL A 39 119.742 -2.508 1.044 1.00 0.81 C ATOM 634 CG2 VAL A 39 121.845 -1.885 -0.151 1.00 0.68 C ATOM 0 H VAL A 39 122.373 -4.311 -1.847 1.00 0.67 H new ATOM 0 HA VAL A 39 121.109 -4.607 0.852 1.00 0.63 H new ATOM 0 HB VAL A 39 120.036 -2.585 -1.090 1.00 0.58 H new ATOM 0 HG11 VAL A 39 119.432 -1.463 1.040 1.00 0.81 H new ATOM 0 HG12 VAL A 39 118.860 -3.148 1.021 1.00 0.81 H new ATOM 0 HG13 VAL A 39 120.316 -2.713 1.948 1.00 0.81 H new ATOM 0 HG21 VAL A 39 121.533 -0.841 -0.156 1.00 0.68 H new ATOM 0 HG22 VAL A 39 122.419 -2.088 0.753 1.00 0.68 H new ATOM 0 HG23 VAL A 39 122.464 -2.083 -1.026 1.00 0.68 H new ATOM 644 N ASP A 40 119.004 -5.570 -0.270 1.00 0.69 N ATOM 645 CA ASP A 40 117.972 -6.395 -0.960 1.00 0.77 C ATOM 646 C ASP A 40 116.593 -6.075 -0.381 1.00 0.73 C ATOM 647 O ASP A 40 116.402 -6.054 0.819 1.00 0.82 O ATOM 648 CB ASP A 40 118.281 -7.879 -0.749 1.00 0.95 C ATOM 649 CG ASP A 40 118.910 -8.457 -2.019 1.00 1.08 C ATOM 650 OD1 ASP A 40 118.601 -7.958 -3.089 1.00 1.60 O ATOM 651 OD2 ASP A 40 119.690 -9.387 -1.900 1.00 1.54 O ATOM 0 H ASP A 40 118.847 -5.422 0.727 1.00 0.69 H new ATOM 0 HA ASP A 40 117.980 -6.170 -2.026 1.00 0.77 H new ATOM 0 HB2 ASP A 40 118.960 -8.003 0.095 1.00 0.95 H new ATOM 0 HB3 ASP A 40 117.367 -8.420 -0.505 1.00 0.95 H new ATOM 656 N THR A 41 115.628 -5.825 -1.223 1.00 0.82 N ATOM 657 CA THR A 41 114.262 -5.507 -0.720 1.00 0.85 C ATOM 658 C THR A 41 113.310 -6.651 -1.079 1.00 0.95 C ATOM 659 O THR A 41 113.511 -7.340 -2.059 1.00 1.42 O ATOM 660 CB THR A 41 113.769 -4.208 -1.365 1.00 1.01 C ATOM 661 OG1 THR A 41 114.357 -4.066 -2.650 1.00 1.36 O ATOM 662 CG2 THR A 41 114.163 -3.019 -0.487 1.00 1.20 C ATOM 0 H THR A 41 115.727 -5.827 -2.238 1.00 0.82 H new ATOM 0 HA THR A 41 114.291 -5.384 0.363 1.00 0.85 H new ATOM 0 HB THR A 41 112.684 -4.240 -1.464 1.00 1.01 H new ATOM 0 HG1 THR A 41 114.041 -3.236 -3.064 1.00 1.36 H new ATOM 0 HG21 THR A 41 113.812 -2.095 -0.947 1.00 1.20 H new ATOM 0 HG22 THR A 41 113.711 -3.129 0.499 1.00 1.20 H new ATOM 0 HG23 THR A 41 115.248 -2.985 -0.386 1.00 1.20 H new ATOM 670 N PRO A 42 112.299 -6.815 -0.268 1.00 1.23 N ATOM 671 CA PRO A 42 111.266 -7.874 -0.448 1.00 1.45 C ATOM 672 C PRO A 42 110.304 -7.497 -1.579 1.00 1.59 C ATOM 673 O PRO A 42 110.047 -6.335 -1.827 1.00 2.21 O ATOM 674 CB PRO A 42 110.546 -7.903 0.898 1.00 2.39 C ATOM 675 CG PRO A 42 110.749 -6.519 1.519 1.00 2.78 C ATOM 676 CD PRO A 42 112.054 -5.967 0.934 1.00 1.99 C ATOM 0 HA PRO A 42 111.686 -8.842 -0.721 1.00 1.45 H new ATOM 0 HB2 PRO A 42 109.486 -8.120 0.768 1.00 2.39 H new ATOM 0 HB3 PRO A 42 110.954 -8.682 1.541 1.00 2.39 H new ATOM 0 HG2 PRO A 42 109.911 -5.862 1.286 1.00 2.78 H new ATOM 0 HG3 PRO A 42 110.809 -6.586 2.605 1.00 2.78 H new ATOM 0 HD2 PRO A 42 111.958 -4.915 0.667 1.00 1.99 H new ATOM 0 HD3 PRO A 42 112.874 -6.041 1.648 1.00 1.99 H new ATOM 684 N GLU A 43 109.771 -8.470 -2.267 1.00 1.99 N ATOM 685 CA GLU A 43 108.828 -8.169 -3.382 1.00 2.73 C ATOM 686 C GLU A 43 107.451 -7.828 -2.808 1.00 2.21 C ATOM 687 O GLU A 43 107.033 -8.374 -1.806 1.00 2.28 O ATOM 688 CB GLU A 43 108.712 -9.391 -4.295 1.00 3.70 C ATOM 689 CG GLU A 43 109.665 -9.235 -5.481 1.00 4.71 C ATOM 690 CD GLU A 43 111.077 -9.646 -5.058 1.00 5.50 C ATOM 691 OE1 GLU A 43 111.479 -9.273 -3.968 1.00 5.93 O ATOM 692 OE2 GLU A 43 111.731 -10.328 -5.830 1.00 5.98 O ATOM 0 H GLU A 43 109.948 -9.461 -2.105 1.00 1.99 H new ATOM 0 HA GLU A 43 109.202 -7.321 -3.956 1.00 2.73 H new ATOM 0 HB2 GLU A 43 108.952 -10.297 -3.739 1.00 3.70 H new ATOM 0 HB3 GLU A 43 107.687 -9.497 -4.650 1.00 3.70 H new ATOM 0 HG2 GLU A 43 109.329 -9.852 -6.315 1.00 4.71 H new ATOM 0 HG3 GLU A 43 109.664 -8.202 -5.829 1.00 4.71 H new ATOM 699 N THR A 44 106.742 -6.928 -3.434 1.00 2.12 N ATOM 700 CA THR A 44 105.393 -6.554 -2.921 1.00 1.99 C ATOM 701 C THR A 44 104.332 -6.905 -3.967 1.00 2.52 C ATOM 702 O THR A 44 103.215 -6.429 -3.915 1.00 3.06 O ATOM 703 CB THR A 44 105.355 -5.051 -2.638 1.00 2.20 C ATOM 704 OG1 THR A 44 105.381 -4.338 -3.866 1.00 2.98 O ATOM 705 CG2 THR A 44 106.567 -4.660 -1.791 1.00 2.05 C ATOM 0 H THR A 44 107.038 -6.436 -4.277 1.00 2.12 H new ATOM 0 HA THR A 44 105.189 -7.102 -2.001 1.00 1.99 H new ATOM 0 HB THR A 44 104.442 -4.805 -2.096 1.00 2.20 H new ATOM 0 HG1 THR A 44 105.355 -3.375 -3.686 1.00 2.98 H new ATOM 0 HG21 THR A 44 106.540 -3.589 -1.589 1.00 2.05 H new ATOM 0 HG22 THR A 44 106.544 -5.207 -0.849 1.00 2.05 H new ATOM 0 HG23 THR A 44 107.482 -4.905 -2.330 1.00 2.05 H new ATOM 713 N LYS A 45 104.671 -7.735 -4.915 1.00 2.87 N ATOM 714 CA LYS A 45 103.679 -8.116 -5.962 1.00 3.59 C ATOM 715 C LYS A 45 103.441 -9.627 -5.913 1.00 4.06 C ATOM 716 O LYS A 45 102.493 -10.135 -6.479 1.00 4.39 O ATOM 717 CB LYS A 45 104.220 -7.730 -7.340 1.00 4.10 C ATOM 718 CG LYS A 45 104.326 -6.208 -7.440 1.00 4.38 C ATOM 719 CD LYS A 45 103.448 -5.711 -8.590 1.00 4.93 C ATOM 720 CE LYS A 45 104.189 -4.619 -9.365 1.00 5.63 C ATOM 721 NZ LYS A 45 104.111 -3.337 -8.610 1.00 6.15 N ATOM 0 H LYS A 45 105.591 -8.166 -5.011 1.00 2.87 H new ATOM 0 HA LYS A 45 102.740 -7.594 -5.780 1.00 3.59 H new ATOM 0 HB2 LYS A 45 105.198 -8.184 -7.498 1.00 4.10 H new ATOM 0 HB3 LYS A 45 103.561 -8.111 -8.120 1.00 4.10 H new ATOM 0 HG2 LYS A 45 104.011 -5.748 -6.503 1.00 4.38 H new ATOM 0 HG3 LYS A 45 105.363 -5.915 -7.607 1.00 4.38 H new ATOM 0 HD2 LYS A 45 103.199 -6.538 -9.255 1.00 4.93 H new ATOM 0 HD3 LYS A 45 102.508 -5.321 -8.201 1.00 4.93 H new ATOM 0 HE2 LYS A 45 105.231 -4.905 -9.512 1.00 5.63 H new ATOM 0 HE3 LYS A 45 103.749 -4.498 -10.355 1.00 5.63 H new ATOM 0 HZ1 LYS A 45 104.614 -2.594 -9.135 1.00 6.15 H new ATOM 0 HZ2 LYS A 45 103.115 -3.064 -8.492 1.00 6.15 H new ATOM 0 HZ3 LYS A 45 104.550 -3.458 -7.675 1.00 6.15 H new ATOM 735 N HIS A 46 104.296 -10.350 -5.244 1.00 4.58 N ATOM 736 CA HIS A 46 104.123 -11.829 -5.160 1.00 5.41 C ATOM 737 C HIS A 46 102.686 -12.172 -4.748 1.00 5.38 C ATOM 738 O HIS A 46 102.050 -13.005 -5.363 1.00 5.34 O ATOM 739 CB HIS A 46 105.100 -12.402 -4.130 1.00 6.18 C ATOM 740 CG HIS A 46 106.046 -13.354 -4.808 1.00 6.80 C ATOM 741 ND1 HIS A 46 105.658 -14.149 -5.876 1.00 7.35 N ATOM 742 CD2 HIS A 46 107.368 -13.652 -4.582 1.00 7.28 C ATOM 743 CE1 HIS A 46 106.725 -14.879 -6.248 1.00 8.03 C ATOM 744 NE2 HIS A 46 107.794 -14.615 -5.491 1.00 8.03 N ATOM 0 H HIS A 46 105.109 -9.980 -4.751 1.00 4.58 H new ATOM 0 HA HIS A 46 104.325 -12.264 -6.139 1.00 5.41 H new ATOM 0 HB2 HIS A 46 105.658 -11.595 -3.655 1.00 6.18 H new ATOM 0 HB3 HIS A 46 104.552 -12.918 -3.341 1.00 6.18 H new ATOM 0 HD2 HIS A 46 107.983 -13.206 -3.815 1.00 7.28 H new ATOM 0 HE1 HIS A 46 106.718 -15.592 -7.060 1.00 8.03 H new ATOM 0 HE2 HIS A 46 108.723 -15.030 -5.564 1.00 8.03 H new ATOM 752 N PRO A 47 102.224 -11.526 -3.711 1.00 5.79 N ATOM 753 CA PRO A 47 100.865 -11.727 -3.151 1.00 6.15 C ATOM 754 C PRO A 47 99.848 -10.815 -3.844 1.00 6.19 C ATOM 755 O PRO A 47 100.104 -9.652 -4.087 1.00 6.47 O ATOM 756 CB PRO A 47 101.041 -11.339 -1.685 1.00 6.96 C ATOM 757 CG PRO A 47 102.242 -10.382 -1.624 1.00 7.13 C ATOM 758 CD PRO A 47 102.996 -10.509 -2.957 1.00 6.35 C ATOM 0 HA PRO A 47 100.487 -12.741 -3.285 1.00 6.15 H new ATOM 0 HB2 PRO A 47 100.142 -10.857 -1.301 1.00 6.96 H new ATOM 0 HB3 PRO A 47 101.217 -12.221 -1.069 1.00 6.96 H new ATOM 0 HG2 PRO A 47 101.908 -9.356 -1.468 1.00 7.13 H new ATOM 0 HG3 PRO A 47 102.894 -10.636 -0.788 1.00 7.13 H new ATOM 0 HD2 PRO A 47 103.029 -9.558 -3.489 1.00 6.35 H new ATOM 0 HD3 PRO A 47 104.028 -10.824 -2.803 1.00 6.35 H new ATOM 766 N LYS A 48 98.693 -11.337 -4.158 1.00 6.20 N ATOM 767 CA LYS A 48 97.654 -10.508 -4.829 1.00 6.51 C ATOM 768 C LYS A 48 96.593 -10.099 -3.805 1.00 6.17 C ATOM 769 O LYS A 48 95.767 -9.244 -4.059 1.00 6.41 O ATOM 770 CB LYS A 48 96.997 -11.321 -5.947 1.00 7.26 C ATOM 771 CG LYS A 48 97.571 -10.892 -7.299 1.00 7.91 C ATOM 772 CD LYS A 48 99.098 -10.982 -7.257 1.00 8.56 C ATOM 773 CE LYS A 48 99.601 -11.720 -8.499 1.00 9.41 C ATOM 774 NZ LYS A 48 100.939 -11.189 -8.884 1.00 9.91 N ATOM 0 H LYS A 48 98.425 -12.304 -3.978 1.00 6.20 H new ATOM 0 HA LYS A 48 98.116 -9.616 -5.252 1.00 6.51 H new ATOM 0 HB2 LYS A 48 97.172 -12.385 -5.788 1.00 7.26 H new ATOM 0 HB3 LYS A 48 95.918 -11.170 -5.934 1.00 7.26 H new ATOM 0 HG2 LYS A 48 97.180 -11.531 -8.091 1.00 7.91 H new ATOM 0 HG3 LYS A 48 97.262 -9.872 -7.530 1.00 7.91 H new ATOM 0 HD2 LYS A 48 99.531 -9.982 -7.215 1.00 8.56 H new ATOM 0 HD3 LYS A 48 99.417 -11.506 -6.356 1.00 8.56 H new ATOM 0 HE2 LYS A 48 99.666 -12.789 -8.298 1.00 9.41 H new ATOM 0 HE3 LYS A 48 98.897 -11.592 -9.321 1.00 9.41 H new ATOM 0 HZ1 LYS A 48 101.499 -11.946 -9.326 1.00 9.91 H new ATOM 0 HZ2 LYS A 48 100.821 -10.407 -9.559 1.00 9.91 H new ATOM 0 HZ3 LYS A 48 101.432 -10.843 -8.036 1.00 9.91 H new ATOM 788 N LYS A 49 96.609 -10.704 -2.649 1.00 5.79 N ATOM 789 CA LYS A 49 95.602 -10.353 -1.607 1.00 5.71 C ATOM 790 C LYS A 49 96.127 -9.190 -0.763 1.00 5.08 C ATOM 791 O LYS A 49 95.654 -8.938 0.327 1.00 5.06 O ATOM 792 CB LYS A 49 95.361 -11.565 -0.705 1.00 5.98 C ATOM 793 CG LYS A 49 93.910 -12.028 -0.844 1.00 6.73 C ATOM 794 CD LYS A 49 93.849 -13.552 -0.733 1.00 7.37 C ATOM 795 CE LYS A 49 94.657 -14.179 -1.870 1.00 8.12 C ATOM 796 NZ LYS A 49 93.728 -14.800 -2.856 1.00 8.83 N ATOM 0 H LYS A 49 97.276 -11.427 -2.380 1.00 5.79 H new ATOM 0 HA LYS A 49 94.667 -10.063 -2.087 1.00 5.71 H new ATOM 0 HB2 LYS A 49 96.039 -12.374 -0.977 1.00 5.98 H new ATOM 0 HB3 LYS A 49 95.573 -11.307 0.333 1.00 5.98 H new ATOM 0 HG2 LYS A 49 93.295 -11.571 -0.068 1.00 6.73 H new ATOM 0 HG3 LYS A 49 93.504 -11.706 -1.803 1.00 6.73 H new ATOM 0 HD2 LYS A 49 94.246 -13.873 0.230 1.00 7.37 H new ATOM 0 HD3 LYS A 49 92.814 -13.889 -0.779 1.00 7.37 H new ATOM 0 HE2 LYS A 49 95.268 -13.420 -2.358 1.00 8.12 H new ATOM 0 HE3 LYS A 49 95.340 -14.931 -1.474 1.00 8.12 H new ATOM 0 HZ1 LYS A 49 94.277 -15.227 -3.629 1.00 8.83 H new ATOM 0 HZ2 LYS A 49 93.164 -15.536 -2.385 1.00 8.83 H new ATOM 0 HZ3 LYS A 49 93.094 -14.072 -3.242 1.00 8.83 H new ATOM 810 N GLY A 50 97.104 -8.481 -1.256 1.00 4.88 N ATOM 811 CA GLY A 50 97.660 -7.337 -0.479 1.00 4.60 C ATOM 812 C GLY A 50 98.740 -7.853 0.474 1.00 4.04 C ATOM 813 O GLY A 50 98.601 -8.898 1.076 1.00 4.18 O ATOM 0 H GLY A 50 97.542 -8.644 -2.163 1.00 4.88 H new ATOM 0 HA2 GLY A 50 98.080 -6.593 -1.155 1.00 4.60 H new ATOM 0 HA3 GLY A 50 96.867 -6.844 0.084 1.00 4.60 H new ATOM 817 N VAL A 51 99.817 -7.130 0.613 1.00 3.74 N ATOM 818 CA VAL A 51 100.904 -7.585 1.525 1.00 3.42 C ATOM 819 C VAL A 51 100.496 -7.334 2.978 1.00 2.82 C ATOM 820 O VAL A 51 100.177 -6.226 3.361 1.00 2.97 O ATOM 821 CB VAL A 51 102.187 -6.812 1.219 1.00 4.00 C ATOM 822 CG1 VAL A 51 103.327 -7.355 2.082 1.00 4.18 C ATOM 823 CG2 VAL A 51 102.544 -6.982 -0.259 1.00 4.71 C ATOM 0 H VAL A 51 99.991 -6.246 0.136 1.00 3.74 H new ATOM 0 HA VAL A 51 101.076 -8.651 1.375 1.00 3.42 H new ATOM 0 HB VAL A 51 102.035 -5.755 1.438 1.00 4.00 H new ATOM 0 HG11 VAL A 51 104.242 -6.804 1.864 1.00 4.18 H new ATOM 0 HG12 VAL A 51 103.074 -7.236 3.136 1.00 4.18 H new ATOM 0 HG13 VAL A 51 103.478 -8.412 1.862 1.00 4.18 H new ATOM 0 HG21 VAL A 51 103.459 -6.431 -0.478 1.00 4.71 H new ATOM 0 HG22 VAL A 51 102.696 -8.039 -0.477 1.00 4.71 H new ATOM 0 HG23 VAL A 51 101.732 -6.597 -0.876 1.00 4.71 H new ATOM 833 N GLU A 52 100.511 -8.355 3.790 1.00 2.78 N ATOM 834 CA GLU A 52 100.131 -8.176 5.220 1.00 2.89 C ATOM 835 C GLU A 52 101.400 -8.122 6.073 1.00 2.58 C ATOM 836 O GLU A 52 101.368 -7.757 7.231 1.00 3.12 O ATOM 837 CB GLU A 52 99.262 -9.351 5.670 1.00 3.70 C ATOM 838 CG GLU A 52 98.095 -9.527 4.696 1.00 4.43 C ATOM 839 CD GLU A 52 97.266 -8.242 4.656 1.00 5.30 C ATOM 840 OE1 GLU A 52 97.749 -7.265 4.107 1.00 5.81 O ATOM 841 OE2 GLU A 52 96.162 -8.257 5.175 1.00 5.74 O ATOM 0 H GLU A 52 100.770 -9.305 3.525 1.00 2.78 H new ATOM 0 HA GLU A 52 99.570 -7.249 5.337 1.00 2.89 H new ATOM 0 HB2 GLU A 52 99.857 -10.263 5.709 1.00 3.70 H new ATOM 0 HB3 GLU A 52 98.885 -9.173 6.677 1.00 3.70 H new ATOM 0 HG2 GLU A 52 98.471 -9.761 3.700 1.00 4.43 H new ATOM 0 HG3 GLU A 52 97.471 -10.365 5.007 1.00 4.43 H new ATOM 848 N LYS A 53 102.519 -8.483 5.505 1.00 2.15 N ATOM 849 CA LYS A 53 103.793 -8.453 6.278 1.00 2.19 C ATOM 850 C LYS A 53 104.428 -7.068 6.158 1.00 1.97 C ATOM 851 O LYS A 53 104.227 -6.207 6.991 1.00 2.49 O ATOM 852 CB LYS A 53 104.755 -9.502 5.715 1.00 2.46 C ATOM 853 CG LYS A 53 104.256 -10.902 6.074 1.00 3.21 C ATOM 854 CD LYS A 53 105.337 -11.931 5.736 1.00 3.77 C ATOM 855 CE LYS A 53 105.034 -13.246 6.454 1.00 4.47 C ATOM 856 NZ LYS A 53 105.351 -14.389 5.552 1.00 5.13 N ATOM 0 H LYS A 53 102.606 -8.797 4.539 1.00 2.15 H new ATOM 0 HA LYS A 53 103.587 -8.671 7.326 1.00 2.19 H new ATOM 0 HB2 LYS A 53 104.829 -9.398 4.633 1.00 2.46 H new ATOM 0 HB3 LYS A 53 105.755 -9.347 6.119 1.00 2.46 H new ATOM 0 HG2 LYS A 53 104.011 -10.951 7.135 1.00 3.21 H new ATOM 0 HG3 LYS A 53 103.341 -11.126 5.525 1.00 3.21 H new ATOM 0 HD2 LYS A 53 105.375 -12.093 4.659 1.00 3.77 H new ATOM 0 HD3 LYS A 53 106.316 -11.558 6.037 1.00 3.77 H new ATOM 0 HE2 LYS A 53 105.622 -13.317 7.369 1.00 4.47 H new ATOM 0 HE3 LYS A 53 103.984 -13.280 6.746 1.00 4.47 H new ATOM 0 HZ1 LYS A 53 105.145 -15.284 6.040 1.00 5.13 H new ATOM 0 HZ2 LYS A 53 104.771 -14.323 4.691 1.00 5.13 H new ATOM 0 HZ3 LYS A 53 106.358 -14.359 5.294 1.00 5.13 H new ATOM 870 N TYR A 54 105.194 -6.848 5.126 1.00 1.78 N ATOM 871 CA TYR A 54 105.845 -5.521 4.949 1.00 1.68 C ATOM 872 C TYR A 54 106.016 -5.231 3.456 1.00 1.58 C ATOM 873 O TYR A 54 107.112 -5.247 2.933 1.00 1.71 O ATOM 874 CB TYR A 54 107.215 -5.534 5.629 1.00 1.85 C ATOM 875 CG TYR A 54 107.045 -5.875 7.089 1.00 1.51 C ATOM 876 CD1 TYR A 54 106.313 -5.024 7.926 1.00 1.44 C ATOM 877 CD2 TYR A 54 107.617 -7.044 7.607 1.00 1.53 C ATOM 878 CE1 TYR A 54 106.153 -5.341 9.280 1.00 1.59 C ATOM 879 CE2 TYR A 54 107.457 -7.361 8.962 1.00 1.66 C ATOM 880 CZ TYR A 54 106.725 -6.509 9.798 1.00 1.77 C ATOM 881 OH TYR A 54 106.567 -6.822 11.133 1.00 2.23 O ATOM 0 H TYR A 54 105.397 -7.531 4.397 1.00 1.78 H new ATOM 0 HA TYR A 54 105.223 -4.746 5.398 1.00 1.68 H new ATOM 0 HB2 TYR A 54 107.866 -6.263 5.147 1.00 1.85 H new ATOM 0 HB3 TYR A 54 107.695 -4.561 5.525 1.00 1.85 H new ATOM 0 HD1 TYR A 54 105.872 -4.123 7.527 1.00 1.44 H new ATOM 0 HD2 TYR A 54 108.181 -7.701 6.962 1.00 1.53 H new ATOM 0 HE1 TYR A 54 105.588 -4.684 9.925 1.00 1.59 H new ATOM 0 HE2 TYR A 54 107.898 -8.262 9.362 1.00 1.66 H new ATOM 0 HH TYR A 54 106.928 -7.717 11.304 1.00 2.23 H new ATOM 891 N GLY A 55 104.940 -4.966 2.767 1.00 1.61 N ATOM 892 CA GLY A 55 105.041 -4.675 1.309 1.00 1.72 C ATOM 893 C GLY A 55 105.428 -3.208 1.104 1.00 1.62 C ATOM 894 O GLY A 55 106.554 -2.907 0.761 1.00 1.67 O ATOM 0 H GLY A 55 103.995 -4.938 3.151 1.00 1.61 H new ATOM 0 HA2 GLY A 55 105.785 -5.326 0.849 1.00 1.72 H new ATOM 0 HA3 GLY A 55 104.089 -4.882 0.820 1.00 1.72 H new ATOM 898 N PRO A 56 104.476 -2.340 1.324 1.00 1.74 N ATOM 899 CA PRO A 56 104.657 -0.870 1.181 1.00 1.81 C ATOM 900 C PRO A 56 105.353 -0.293 2.417 1.00 1.46 C ATOM 901 O PRO A 56 104.790 0.502 3.144 1.00 1.98 O ATOM 902 CB PRO A 56 103.227 -0.347 1.070 1.00 2.28 C ATOM 903 CG PRO A 56 102.334 -1.382 1.762 1.00 2.40 C ATOM 904 CD PRO A 56 103.096 -2.713 1.743 1.00 2.09 C ATOM 0 HA PRO A 56 105.277 -0.594 0.328 1.00 1.81 H new ATOM 0 HB2 PRO A 56 103.132 0.629 1.547 1.00 2.28 H new ATOM 0 HB3 PRO A 56 102.939 -0.221 0.026 1.00 2.28 H new ATOM 0 HG2 PRO A 56 102.113 -1.078 2.785 1.00 2.40 H new ATOM 0 HG3 PRO A 56 101.380 -1.476 1.244 1.00 2.40 H new ATOM 0 HD2 PRO A 56 103.093 -3.188 2.724 1.00 2.09 H new ATOM 0 HD3 PRO A 56 102.646 -3.419 1.046 1.00 2.09 H new ATOM 912 N GLU A 57 106.573 -0.686 2.661 1.00 1.05 N ATOM 913 CA GLU A 57 107.302 -0.160 3.849 1.00 0.96 C ATOM 914 C GLU A 57 108.656 0.402 3.410 1.00 0.86 C ATOM 915 O GLU A 57 108.966 1.553 3.646 1.00 0.84 O ATOM 916 CB GLU A 57 107.523 -1.292 4.854 1.00 1.23 C ATOM 917 CG GLU A 57 107.035 -0.851 6.236 1.00 1.71 C ATOM 918 CD GLU A 57 105.514 -0.993 6.311 1.00 1.97 C ATOM 919 OE1 GLU A 57 104.945 -1.559 5.391 1.00 2.50 O ATOM 920 OE2 GLU A 57 104.943 -0.534 7.286 1.00 2.50 O ATOM 0 H GLU A 57 107.096 -1.349 2.089 1.00 1.05 H new ATOM 0 HA GLU A 57 106.714 0.631 4.315 1.00 0.96 H new ATOM 0 HB2 GLU A 57 106.986 -2.185 4.535 1.00 1.23 H new ATOM 0 HB3 GLU A 57 108.580 -1.554 4.896 1.00 1.23 H new ATOM 0 HG2 GLU A 57 107.506 -1.457 7.010 1.00 1.71 H new ATOM 0 HG3 GLU A 57 107.324 0.184 6.422 1.00 1.71 H new ATOM 927 N ALA A 58 109.464 -0.401 2.775 1.00 0.86 N ATOM 928 CA ALA A 58 110.797 0.088 2.322 1.00 0.83 C ATOM 929 C ALA A 58 110.611 1.122 1.210 1.00 0.78 C ATOM 930 O ALA A 58 111.390 2.044 1.070 1.00 0.77 O ATOM 931 CB ALA A 58 111.619 -1.088 1.793 1.00 0.90 C ATOM 0 H ALA A 58 109.259 -1.375 2.550 1.00 0.86 H new ATOM 0 HA ALA A 58 111.319 0.548 3.161 1.00 0.83 H new ATOM 0 HB1 ALA A 58 112.594 -0.731 1.462 1.00 0.90 H new ATOM 0 HB2 ALA A 58 111.753 -1.824 2.586 1.00 0.90 H new ATOM 0 HB3 ALA A 58 111.097 -1.549 0.954 1.00 0.90 H new ATOM 937 N SER A 59 109.584 0.977 0.418 1.00 0.83 N ATOM 938 CA SER A 59 109.349 1.953 -0.683 1.00 0.86 C ATOM 939 C SER A 59 108.899 3.290 -0.090 1.00 0.87 C ATOM 940 O SER A 59 109.261 4.346 -0.570 1.00 0.87 O ATOM 941 CB SER A 59 108.265 1.415 -1.617 1.00 0.97 C ATOM 942 OG SER A 59 107.505 2.502 -2.128 1.00 1.30 O ATOM 0 H SER A 59 108.898 0.225 0.486 1.00 0.83 H new ATOM 0 HA SER A 59 110.271 2.098 -1.245 1.00 0.86 H new ATOM 0 HB2 SER A 59 108.718 0.856 -2.436 1.00 0.97 H new ATOM 0 HB3 SER A 59 107.616 0.723 -1.080 1.00 0.97 H new ATOM 0 HG SER A 59 106.810 2.161 -2.729 1.00 1.30 H new ATOM 948 N ALA A 60 108.113 3.254 0.953 1.00 0.94 N ATOM 949 CA ALA A 60 107.644 4.523 1.577 1.00 1.01 C ATOM 950 C ALA A 60 108.810 5.189 2.310 1.00 0.94 C ATOM 951 O ALA A 60 108.947 6.396 2.314 1.00 0.97 O ATOM 952 CB ALA A 60 106.522 4.219 2.572 1.00 1.13 C ATOM 0 H ALA A 60 107.776 2.401 1.399 1.00 0.94 H new ATOM 0 HA ALA A 60 107.270 5.193 0.803 1.00 1.01 H new ATOM 0 HB1 ALA A 60 106.179 5.148 3.028 1.00 1.13 H new ATOM 0 HB2 ALA A 60 105.692 3.743 2.050 1.00 1.13 H new ATOM 0 HB3 ALA A 60 106.895 3.550 3.347 1.00 1.13 H new ATOM 958 N PHE A 61 109.653 4.409 2.928 1.00 0.88 N ATOM 959 CA PHE A 61 110.813 4.993 3.659 1.00 0.85 C ATOM 960 C PHE A 61 111.858 5.468 2.648 1.00 0.76 C ATOM 961 O PHE A 61 112.683 6.310 2.942 1.00 0.76 O ATOM 962 CB PHE A 61 111.426 3.927 4.571 1.00 0.84 C ATOM 963 CG PHE A 61 112.764 4.404 5.084 1.00 0.82 C ATOM 964 CD1 PHE A 61 113.922 4.187 4.329 1.00 0.76 C ATOM 965 CD2 PHE A 61 112.845 5.064 6.317 1.00 0.90 C ATOM 966 CE1 PHE A 61 115.162 4.628 4.806 1.00 0.77 C ATOM 967 CE2 PHE A 61 114.085 5.505 6.794 1.00 0.91 C ATOM 968 CZ PHE A 61 115.244 5.288 6.038 1.00 0.85 C ATOM 0 H PHE A 61 109.589 3.391 2.959 1.00 0.88 H new ATOM 0 HA PHE A 61 110.481 5.838 4.263 1.00 0.85 H new ATOM 0 HB2 PHE A 61 110.757 3.722 5.407 1.00 0.84 H new ATOM 0 HB3 PHE A 61 111.548 2.992 4.023 1.00 0.84 H new ATOM 0 HD1 PHE A 61 113.859 3.679 3.378 1.00 0.76 H new ATOM 0 HD2 PHE A 61 111.951 5.233 6.899 1.00 0.90 H new ATOM 0 HE1 PHE A 61 116.056 4.459 4.224 1.00 0.77 H new ATOM 0 HE2 PHE A 61 114.148 6.013 7.745 1.00 0.91 H new ATOM 0 HZ PHE A 61 116.200 5.630 6.405 1.00 0.85 H new ATOM 978 N THR A 62 111.827 4.936 1.457 1.00 0.72 N ATOM 979 CA THR A 62 112.816 5.359 0.426 1.00 0.66 C ATOM 980 C THR A 62 112.388 6.702 -0.168 1.00 0.68 C ATOM 981 O THR A 62 113.193 7.590 -0.368 1.00 0.70 O ATOM 982 CB THR A 62 112.876 4.307 -0.685 1.00 0.65 C ATOM 983 OG1 THR A 62 113.282 3.061 -0.134 1.00 0.68 O ATOM 984 CG2 THR A 62 113.877 4.747 -1.754 1.00 0.69 C ATOM 0 H THR A 62 111.160 4.227 1.153 1.00 0.72 H new ATOM 0 HA THR A 62 113.800 5.460 0.885 1.00 0.66 H new ATOM 0 HB THR A 62 111.890 4.199 -1.138 1.00 0.65 H new ATOM 0 HG1 THR A 62 112.628 2.771 0.535 1.00 0.68 H new ATOM 0 HG21 THR A 62 113.919 3.997 -2.544 1.00 0.69 H new ATOM 0 HG22 THR A 62 113.563 5.702 -2.176 1.00 0.69 H new ATOM 0 HG23 THR A 62 114.864 4.856 -1.305 1.00 0.69 H new ATOM 992 N LYS A 63 111.124 6.858 -0.451 1.00 0.73 N ATOM 993 CA LYS A 63 110.641 8.141 -1.033 1.00 0.79 C ATOM 994 C LYS A 63 110.523 9.194 0.071 1.00 0.84 C ATOM 995 O LYS A 63 110.612 10.380 -0.178 1.00 0.89 O ATOM 996 CB LYS A 63 109.271 7.921 -1.676 1.00 0.87 C ATOM 997 CG LYS A 63 109.165 8.752 -2.955 1.00 0.92 C ATOM 998 CD LYS A 63 107.708 8.789 -3.418 1.00 1.19 C ATOM 999 CE LYS A 63 107.609 9.567 -4.730 1.00 1.56 C ATOM 1000 NZ LYS A 63 106.267 9.344 -5.339 1.00 2.14 N ATOM 0 H LYS A 63 110.404 6.151 -0.304 1.00 0.73 H new ATOM 0 HA LYS A 63 111.348 8.487 -1.787 1.00 0.79 H new ATOM 0 HB2 LYS A 63 109.131 6.864 -1.904 1.00 0.87 H new ATOM 0 HB3 LYS A 63 108.482 8.204 -0.980 1.00 0.87 H new ATOM 0 HG2 LYS A 63 109.527 9.764 -2.775 1.00 0.92 H new ATOM 0 HG3 LYS A 63 109.795 8.322 -3.734 1.00 0.92 H new ATOM 0 HD2 LYS A 63 107.333 7.775 -3.555 1.00 1.19 H new ATOM 0 HD3 LYS A 63 107.085 9.259 -2.657 1.00 1.19 H new ATOM 0 HE2 LYS A 63 107.765 10.630 -4.548 1.00 1.56 H new ATOM 0 HE3 LYS A 63 108.391 9.243 -5.417 1.00 1.56 H new ATOM 0 HZ1 LYS A 63 106.199 9.873 -6.232 1.00 2.14 H new ATOM 0 HZ2 LYS A 63 106.135 8.330 -5.527 1.00 2.14 H new ATOM 0 HZ3 LYS A 63 105.529 9.674 -4.684 1.00 2.14 H new ATOM 1014 N LYS A 64 110.322 8.772 1.289 1.00 0.87 N ATOM 1015 CA LYS A 64 110.196 9.749 2.407 1.00 0.95 C ATOM 1016 C LYS A 64 111.587 10.222 2.832 1.00 0.92 C ATOM 1017 O LYS A 64 111.805 11.390 3.089 1.00 1.01 O ATOM 1018 CB LYS A 64 109.502 9.078 3.594 1.00 1.00 C ATOM 1019 CG LYS A 64 108.015 9.439 3.588 1.00 1.48 C ATOM 1020 CD LYS A 64 107.207 8.289 4.194 1.00 1.86 C ATOM 1021 CE LYS A 64 106.314 8.827 5.314 1.00 2.18 C ATOM 1022 NZ LYS A 64 107.076 8.842 6.594 1.00 2.67 N ATOM 0 H LYS A 64 110.239 7.792 1.559 1.00 0.87 H new ATOM 0 HA LYS A 64 109.607 10.604 2.076 1.00 0.95 H new ATOM 0 HB2 LYS A 64 109.625 7.996 3.536 1.00 1.00 H new ATOM 0 HB3 LYS A 64 109.962 9.402 4.528 1.00 1.00 H new ATOM 0 HG2 LYS A 64 107.850 10.353 4.158 1.00 1.48 H new ATOM 0 HG3 LYS A 64 107.682 9.634 2.569 1.00 1.48 H new ATOM 0 HD2 LYS A 64 106.598 7.814 3.425 1.00 1.86 H new ATOM 0 HD3 LYS A 64 107.879 7.525 4.585 1.00 1.86 H new ATOM 0 HE2 LYS A 64 105.973 9.833 5.070 1.00 2.18 H new ATOM 0 HE3 LYS A 64 105.425 8.205 5.415 1.00 2.18 H new ATOM 0 HZ1 LYS A 64 106.469 9.208 7.355 1.00 2.67 H new ATOM 0 HZ2 LYS A 64 107.380 7.876 6.828 1.00 2.67 H new ATOM 0 HZ3 LYS A 64 107.911 9.453 6.494 1.00 2.67 H new ATOM 1036 N MET A 65 112.530 9.324 2.914 1.00 0.83 N ATOM 1037 CA MET A 65 113.905 9.723 3.329 1.00 0.83 C ATOM 1038 C MET A 65 114.592 10.483 2.191 1.00 0.81 C ATOM 1039 O MET A 65 115.461 11.302 2.417 1.00 0.86 O ATOM 1040 CB MET A 65 114.716 8.470 3.666 1.00 0.77 C ATOM 1041 CG MET A 65 116.121 8.878 4.113 1.00 0.81 C ATOM 1042 SD MET A 65 116.162 9.022 5.916 1.00 1.33 S ATOM 1043 CE MET A 65 117.822 8.344 6.159 1.00 1.28 C ATOM 0 H MET A 65 112.408 8.332 2.712 1.00 0.83 H new ATOM 0 HA MET A 65 113.843 10.368 4.205 1.00 0.83 H new ATOM 0 HB2 MET A 65 114.221 7.905 4.456 1.00 0.77 H new ATOM 0 HB3 MET A 65 114.775 7.817 2.795 1.00 0.77 H new ATOM 0 HG2 MET A 65 116.849 8.139 3.780 1.00 0.81 H new ATOM 0 HG3 MET A 65 116.399 9.827 3.655 1.00 0.81 H new ATOM 0 HE1 MET A 65 117.845 7.759 7.078 1.00 1.28 H new ATOM 0 HE2 MET A 65 118.081 7.704 5.315 1.00 1.28 H new ATOM 0 HE3 MET A 65 118.541 9.160 6.230 1.00 1.28 H new ATOM 1053 N VAL A 66 114.216 10.218 0.970 1.00 0.78 N ATOM 1054 CA VAL A 66 114.858 10.926 -0.175 1.00 0.80 C ATOM 1055 C VAL A 66 114.135 12.250 -0.438 1.00 0.91 C ATOM 1056 O VAL A 66 114.734 13.223 -0.851 1.00 1.00 O ATOM 1057 CB VAL A 66 114.782 10.048 -1.425 1.00 0.76 C ATOM 1058 CG1 VAL A 66 115.421 8.689 -1.133 1.00 0.69 C ATOM 1059 CG2 VAL A 66 113.317 9.848 -1.819 1.00 0.79 C ATOM 0 H VAL A 66 113.494 9.544 0.715 1.00 0.78 H new ATOM 0 HA VAL A 66 115.901 11.128 0.068 1.00 0.80 H new ATOM 0 HB VAL A 66 115.316 10.533 -2.243 1.00 0.76 H new ATOM 0 HG11 VAL A 66 115.367 8.063 -2.024 1.00 0.69 H new ATOM 0 HG12 VAL A 66 116.464 8.831 -0.851 1.00 0.69 H new ATOM 0 HG13 VAL A 66 114.887 8.204 -0.316 1.00 0.69 H new ATOM 0 HG21 VAL A 66 113.262 9.222 -2.710 1.00 0.79 H new ATOM 0 HG22 VAL A 66 112.783 9.363 -1.002 1.00 0.79 H new ATOM 0 HG23 VAL A 66 112.861 10.816 -2.027 1.00 0.79 H new ATOM 1069 N GLU A 67 112.851 12.296 -0.208 1.00 0.93 N ATOM 1070 CA GLU A 67 112.096 13.559 -0.451 1.00 1.04 C ATOM 1071 C GLU A 67 112.402 14.564 0.660 1.00 1.10 C ATOM 1072 O GLU A 67 112.396 15.760 0.448 1.00 1.24 O ATOM 1073 CB GLU A 67 110.596 13.262 -0.470 1.00 1.08 C ATOM 1074 CG GLU A 67 110.165 12.896 -1.891 1.00 1.13 C ATOM 1075 CD GLU A 67 109.584 14.130 -2.584 1.00 1.37 C ATOM 1076 OE1 GLU A 67 109.549 15.176 -1.956 1.00 1.77 O ATOM 1077 OE2 GLU A 67 109.183 14.009 -3.730 1.00 1.92 O ATOM 0 H GLU A 67 112.293 11.515 0.137 1.00 0.93 H new ATOM 0 HA GLU A 67 112.396 13.979 -1.411 1.00 1.04 H new ATOM 0 HB2 GLU A 67 110.368 12.443 0.212 1.00 1.08 H new ATOM 0 HB3 GLU A 67 110.038 14.131 -0.122 1.00 1.08 H new ATOM 0 HG2 GLU A 67 111.018 12.518 -2.455 1.00 1.13 H new ATOM 0 HG3 GLU A 67 109.422 12.099 -1.863 1.00 1.13 H new ATOM 1084 N ASN A 68 112.667 14.089 1.845 1.00 1.07 N ATOM 1085 CA ASN A 68 112.969 15.018 2.970 1.00 1.15 C ATOM 1086 C ASN A 68 114.476 15.281 3.026 1.00 1.13 C ATOM 1087 O ASN A 68 114.916 16.411 3.102 1.00 1.22 O ATOM 1088 CB ASN A 68 112.511 14.389 4.287 1.00 1.16 C ATOM 1089 CG ASN A 68 111.135 13.749 4.094 1.00 1.24 C ATOM 1090 OD1 ASN A 68 110.770 12.838 4.811 1.00 1.69 O ATOM 1091 ND2 ASN A 68 110.350 14.189 3.149 1.00 1.48 N ATOM 0 H ASN A 68 112.688 13.097 2.083 1.00 1.07 H new ATOM 0 HA ASN A 68 112.443 15.960 2.815 1.00 1.15 H new ATOM 0 HB2 ASN A 68 113.231 13.638 4.614 1.00 1.16 H new ATOM 0 HB3 ASN A 68 112.465 15.148 5.068 1.00 1.16 H new ATOM 0 HD21 ASN A 68 109.431 13.768 3.013 1.00 1.48 H new ATOM 0 HD22 ASN A 68 110.656 14.954 2.547 1.00 1.48 H new ATOM 1098 N ALA A 69 115.269 14.246 2.991 1.00 1.04 N ATOM 1099 CA ALA A 69 116.746 14.438 3.044 1.00 1.04 C ATOM 1100 C ALA A 69 117.162 15.503 2.028 1.00 1.11 C ATOM 1101 O ALA A 69 117.344 15.224 0.860 1.00 1.17 O ATOM 1102 CB ALA A 69 117.443 13.117 2.711 1.00 0.97 C ATOM 0 H ALA A 69 114.959 13.276 2.928 1.00 1.04 H new ATOM 0 HA ALA A 69 117.034 14.761 4.045 1.00 1.04 H new ATOM 0 HB1 ALA A 69 118.523 13.256 2.749 1.00 0.97 H new ATOM 0 HB2 ALA A 69 117.149 12.358 3.436 1.00 0.97 H new ATOM 0 HB3 ALA A 69 117.154 12.795 1.711 1.00 0.97 H new ATOM 1108 N LYS A 70 117.316 16.724 2.464 1.00 1.22 N ATOM 1109 CA LYS A 70 117.722 17.805 1.522 1.00 1.34 C ATOM 1110 C LYS A 70 119.163 17.566 1.067 1.00 1.28 C ATOM 1111 O LYS A 70 119.527 17.860 -0.054 1.00 1.38 O ATOM 1112 CB LYS A 70 117.628 19.160 2.226 1.00 1.52 C ATOM 1113 CG LYS A 70 116.367 19.201 3.091 1.00 1.70 C ATOM 1114 CD LYS A 70 115.892 20.648 3.235 1.00 1.99 C ATOM 1115 CE LYS A 70 116.260 21.172 4.624 1.00 2.38 C ATOM 1116 NZ LYS A 70 116.642 22.610 4.529 1.00 3.00 N ATOM 0 H LYS A 70 117.178 17.019 3.431 1.00 1.22 H new ATOM 0 HA LYS A 70 117.060 17.801 0.656 1.00 1.34 H new ATOM 0 HB2 LYS A 70 118.511 19.322 2.844 1.00 1.52 H new ATOM 0 HB3 LYS A 70 117.603 19.963 1.489 1.00 1.52 H new ATOM 0 HG2 LYS A 70 115.583 18.593 2.639 1.00 1.70 H new ATOM 0 HG3 LYS A 70 116.573 18.776 4.073 1.00 1.70 H new ATOM 0 HD2 LYS A 70 116.351 21.270 2.467 1.00 1.99 H new ATOM 0 HD3 LYS A 70 114.813 20.704 3.088 1.00 1.99 H new ATOM 0 HE2 LYS A 70 115.417 21.053 5.304 1.00 2.38 H new ATOM 0 HE3 LYS A 70 117.086 20.592 5.036 1.00 2.38 H new ATOM 0 HZ1 LYS A 70 116.892 22.966 5.474 1.00 3.00 H new ATOM 0 HZ2 LYS A 70 117.459 22.711 3.893 1.00 3.00 H new ATOM 0 HZ3 LYS A 70 115.842 23.158 4.153 1.00 3.00 H new ATOM 1130 N LYS A 71 119.985 17.035 1.930 1.00 1.19 N ATOM 1131 CA LYS A 71 121.402 16.777 1.548 1.00 1.17 C ATOM 1132 C LYS A 71 121.556 15.319 1.112 1.00 1.02 C ATOM 1133 O LYS A 71 121.881 14.455 1.902 1.00 1.02 O ATOM 1134 CB LYS A 71 122.310 17.048 2.749 1.00 1.27 C ATOM 1135 CG LYS A 71 121.811 18.284 3.499 1.00 1.47 C ATOM 1136 CD LYS A 71 122.923 18.817 4.403 1.00 1.68 C ATOM 1137 CE LYS A 71 123.960 19.556 3.556 1.00 2.29 C ATOM 1138 NZ LYS A 71 125.205 19.751 4.352 1.00 2.84 N ATOM 0 H LYS A 71 119.737 16.769 2.883 1.00 1.19 H new ATOM 0 HA LYS A 71 121.682 17.434 0.724 1.00 1.17 H new ATOM 0 HB2 LYS A 71 122.318 16.185 3.414 1.00 1.27 H new ATOM 0 HB3 LYS A 71 123.336 17.202 2.415 1.00 1.27 H new ATOM 0 HG2 LYS A 71 121.504 19.053 2.790 1.00 1.47 H new ATOM 0 HG3 LYS A 71 120.934 18.031 4.094 1.00 1.47 H new ATOM 0 HD2 LYS A 71 122.506 19.489 5.153 1.00 1.68 H new ATOM 0 HD3 LYS A 71 123.396 17.994 4.939 1.00 1.68 H new ATOM 0 HE2 LYS A 71 124.179 18.987 2.652 1.00 2.29 H new ATOM 0 HE3 LYS A 71 123.564 20.521 3.238 1.00 2.29 H new ATOM 0 HZ1 LYS A 71 125.910 20.254 3.776 1.00 2.84 H new ATOM 0 HZ2 LYS A 71 124.990 20.311 5.202 1.00 2.84 H new ATOM 0 HZ3 LYS A 71 125.585 18.825 4.634 1.00 2.84 H new ATOM 1152 N ILE A 72 121.325 15.038 -0.141 1.00 0.96 N ATOM 1153 CA ILE A 72 121.460 13.636 -0.627 1.00 0.85 C ATOM 1154 C ILE A 72 122.801 13.477 -1.345 1.00 0.83 C ATOM 1155 O ILE A 72 123.036 14.069 -2.380 1.00 0.92 O ATOM 1156 CB ILE A 72 120.316 13.321 -1.593 1.00 0.85 C ATOM 1157 CG1 ILE A 72 118.984 13.398 -0.842 1.00 0.89 C ATOM 1158 CG2 ILE A 72 120.498 11.913 -2.161 1.00 0.82 C ATOM 1159 CD1 ILE A 72 117.885 13.870 -1.796 1.00 1.14 C ATOM 0 H ILE A 72 121.049 15.718 -0.849 1.00 0.96 H new ATOM 0 HA ILE A 72 121.418 12.948 0.217 1.00 0.85 H new ATOM 0 HB ILE A 72 120.320 14.044 -2.409 1.00 0.85 H new ATOM 0 HG12 ILE A 72 118.729 12.421 -0.432 1.00 0.89 H new ATOM 0 HG13 ILE A 72 119.069 14.085 0.000 1.00 0.89 H new ATOM 0 HG21 ILE A 72 119.682 11.690 -2.849 1.00 0.82 H new ATOM 0 HG22 ILE A 72 121.448 11.855 -2.693 1.00 0.82 H new ATOM 0 HG23 ILE A 72 120.494 11.189 -1.346 1.00 0.82 H new ATOM 0 HD11 ILE A 72 116.937 13.925 -1.261 1.00 1.14 H new ATOM 0 HD12 ILE A 72 118.139 14.856 -2.185 1.00 1.14 H new ATOM 0 HD13 ILE A 72 117.794 13.166 -2.623 1.00 1.14 H new ATOM 1171 N GLU A 73 123.685 12.685 -0.802 1.00 0.79 N ATOM 1172 CA GLU A 73 125.012 12.494 -1.451 1.00 0.80 C ATOM 1173 C GLU A 73 125.153 11.043 -1.917 1.00 0.72 C ATOM 1174 O GLU A 73 124.609 10.133 -1.324 1.00 0.69 O ATOM 1175 CB GLU A 73 126.119 12.815 -0.445 1.00 0.88 C ATOM 1176 CG GLU A 73 125.913 14.228 0.105 1.00 1.13 C ATOM 1177 CD GLU A 73 127.220 14.733 0.719 1.00 1.43 C ATOM 1178 OE1 GLU A 73 127.724 14.076 1.615 1.00 2.07 O ATOM 1179 OE2 GLU A 73 127.694 15.770 0.283 1.00 1.97 O ATOM 0 H GLU A 73 123.545 12.162 0.063 1.00 0.79 H new ATOM 0 HA GLU A 73 125.094 13.159 -2.311 1.00 0.80 H new ATOM 0 HB2 GLU A 73 126.106 12.091 0.369 1.00 0.88 H new ATOM 0 HB3 GLU A 73 127.095 12.738 -0.925 1.00 0.88 H new ATOM 0 HG2 GLU A 73 125.592 14.897 -0.693 1.00 1.13 H new ATOM 0 HG3 GLU A 73 125.123 14.226 0.856 1.00 1.13 H new ATOM 1186 N VAL A 74 125.884 10.822 -2.976 1.00 0.74 N ATOM 1187 CA VAL A 74 126.066 9.432 -3.481 1.00 0.68 C ATOM 1188 C VAL A 74 127.556 9.084 -3.477 1.00 0.72 C ATOM 1189 O VAL A 74 128.400 9.931 -3.693 1.00 0.82 O ATOM 1190 CB VAL A 74 125.519 9.332 -4.906 1.00 0.70 C ATOM 1191 CG1 VAL A 74 123.989 9.310 -4.864 1.00 0.83 C ATOM 1192 CG2 VAL A 74 125.987 10.543 -5.717 1.00 0.85 C ATOM 0 H VAL A 74 126.363 11.545 -3.513 1.00 0.74 H new ATOM 0 HA VAL A 74 125.528 8.735 -2.838 1.00 0.68 H new ATOM 0 HB VAL A 74 125.884 8.417 -5.372 1.00 0.70 H new ATOM 0 HG11 VAL A 74 123.598 9.239 -5.879 1.00 0.83 H new ATOM 0 HG12 VAL A 74 123.653 8.450 -4.285 1.00 0.83 H new ATOM 0 HG13 VAL A 74 123.625 10.226 -4.398 1.00 0.83 H new ATOM 0 HG21 VAL A 74 125.598 10.473 -6.733 1.00 0.85 H new ATOM 0 HG22 VAL A 74 125.620 11.457 -5.250 1.00 0.85 H new ATOM 0 HG23 VAL A 74 127.076 10.562 -5.746 1.00 0.85 H new ATOM 1202 N GLU A 75 127.887 7.847 -3.229 1.00 0.72 N ATOM 1203 CA GLU A 75 129.324 7.452 -3.207 1.00 0.77 C ATOM 1204 C GLU A 75 129.506 6.126 -3.950 1.00 0.76 C ATOM 1205 O GLU A 75 129.158 5.073 -3.455 1.00 0.75 O ATOM 1206 CB GLU A 75 129.782 7.288 -1.756 1.00 0.83 C ATOM 1207 CG GLU A 75 131.299 7.097 -1.716 1.00 1.04 C ATOM 1208 CD GLU A 75 131.663 6.148 -0.572 1.00 1.29 C ATOM 1209 OE1 GLU A 75 131.253 5.000 -0.628 1.00 1.98 O ATOM 1210 OE2 GLU A 75 132.346 6.585 0.340 1.00 1.63 O ATOM 0 H GLU A 75 127.226 7.093 -3.041 1.00 0.72 H new ATOM 0 HA GLU A 75 129.919 8.224 -3.695 1.00 0.77 H new ATOM 0 HB2 GLU A 75 129.500 8.165 -1.174 1.00 0.83 H new ATOM 0 HB3 GLU A 75 129.285 6.431 -1.302 1.00 0.83 H new ATOM 0 HG2 GLU A 75 131.650 6.692 -2.665 1.00 1.04 H new ATOM 0 HG3 GLU A 75 131.794 8.058 -1.577 1.00 1.04 H new ATOM 1217 N PHE A 76 130.053 6.169 -5.135 1.00 0.82 N ATOM 1218 CA PHE A 76 130.260 4.909 -5.904 1.00 0.84 C ATOM 1219 C PHE A 76 131.409 4.117 -5.277 1.00 0.89 C ATOM 1220 O PHE A 76 132.390 4.677 -4.828 1.00 0.98 O ATOM 1221 CB PHE A 76 130.607 5.247 -7.355 1.00 0.91 C ATOM 1222 CG PHE A 76 129.347 5.603 -8.106 1.00 0.90 C ATOM 1223 CD1 PHE A 76 128.547 4.592 -8.653 1.00 0.91 C ATOM 1224 CD2 PHE A 76 128.978 6.945 -8.258 1.00 0.95 C ATOM 1225 CE1 PHE A 76 127.379 4.923 -9.351 1.00 0.93 C ATOM 1226 CE2 PHE A 76 127.811 7.276 -8.956 1.00 0.97 C ATOM 1227 CZ PHE A 76 127.011 6.265 -9.502 1.00 0.95 C ATOM 0 H PHE A 76 130.365 7.020 -5.603 1.00 0.82 H new ATOM 0 HA PHE A 76 129.348 4.313 -5.879 1.00 0.84 H new ATOM 0 HB2 PHE A 76 131.309 6.080 -7.387 1.00 0.91 H new ATOM 0 HB3 PHE A 76 131.098 4.397 -7.830 1.00 0.91 H new ATOM 0 HD1 PHE A 76 128.831 3.557 -8.536 1.00 0.91 H new ATOM 0 HD2 PHE A 76 129.594 7.725 -7.836 1.00 0.95 H new ATOM 0 HE1 PHE A 76 126.762 4.143 -9.773 1.00 0.93 H new ATOM 0 HE2 PHE A 76 127.527 8.311 -9.073 1.00 0.97 H new ATOM 0 HZ PHE A 76 126.110 6.521 -10.040 1.00 0.95 H new ATOM 1237 N ASP A 77 131.298 2.817 -5.241 1.00 0.90 N ATOM 1238 CA ASP A 77 132.385 1.995 -4.641 1.00 0.97 C ATOM 1239 C ASP A 77 133.478 1.754 -5.685 1.00 1.07 C ATOM 1240 O ASP A 77 133.245 1.847 -6.874 1.00 1.09 O ATOM 1241 CB ASP A 77 131.815 0.652 -4.180 1.00 0.96 C ATOM 1242 CG ASP A 77 132.625 0.135 -2.990 1.00 1.41 C ATOM 1243 OD1 ASP A 77 133.384 0.911 -2.434 1.00 1.96 O ATOM 1244 OD2 ASP A 77 132.473 -1.028 -2.656 1.00 2.06 O ATOM 0 H ASP A 77 130.502 2.290 -5.601 1.00 0.90 H new ATOM 0 HA ASP A 77 132.809 2.522 -3.786 1.00 0.97 H new ATOM 0 HB2 ASP A 77 130.768 0.767 -3.899 1.00 0.96 H new ATOM 0 HB3 ASP A 77 131.848 -0.069 -4.997 1.00 0.96 H new ATOM 1249 N LYS A 78 134.669 1.445 -5.249 1.00 1.18 N ATOM 1250 CA LYS A 78 135.775 1.199 -6.216 1.00 1.31 C ATOM 1251 C LYS A 78 135.360 0.100 -7.197 1.00 1.35 C ATOM 1252 O LYS A 78 135.942 -0.056 -8.252 1.00 1.53 O ATOM 1253 CB LYS A 78 137.028 0.757 -5.456 1.00 1.41 C ATOM 1254 CG LYS A 78 136.713 -0.497 -4.638 1.00 1.53 C ATOM 1255 CD LYS A 78 137.869 -0.785 -3.678 1.00 1.92 C ATOM 1256 CE LYS A 78 137.701 0.053 -2.410 1.00 2.35 C ATOM 1257 NZ LYS A 78 138.914 0.895 -2.204 1.00 2.90 N ATOM 0 H LYS A 78 134.923 1.352 -4.266 1.00 1.18 H new ATOM 0 HA LYS A 78 135.987 2.116 -6.766 1.00 1.31 H new ATOM 0 HB2 LYS A 78 137.838 0.553 -6.156 1.00 1.41 H new ATOM 0 HB3 LYS A 78 137.369 1.557 -4.799 1.00 1.41 H new ATOM 0 HG2 LYS A 78 135.788 -0.356 -4.078 1.00 1.53 H new ATOM 0 HG3 LYS A 78 136.557 -1.347 -5.302 1.00 1.53 H new ATOM 0 HD2 LYS A 78 137.890 -1.845 -3.426 1.00 1.92 H new ATOM 0 HD3 LYS A 78 138.820 -0.552 -4.157 1.00 1.92 H new ATOM 0 HE2 LYS A 78 136.817 0.685 -2.494 1.00 2.35 H new ATOM 0 HE3 LYS A 78 137.547 -0.598 -1.549 1.00 2.35 H new ATOM 0 HZ1 LYS A 78 138.799 1.465 -1.341 1.00 2.90 H new ATOM 0 HZ2 LYS A 78 139.749 0.283 -2.106 1.00 2.90 H new ATOM 0 HZ3 LYS A 78 139.042 1.526 -3.021 1.00 2.90 H new ATOM 1271 N GLY A 79 134.359 -0.665 -6.857 1.00 1.27 N ATOM 1272 CA GLY A 79 133.909 -1.753 -7.770 1.00 1.35 C ATOM 1273 C GLY A 79 133.360 -1.144 -9.061 1.00 1.32 C ATOM 1274 O GLY A 79 133.602 0.006 -9.368 1.00 1.34 O ATOM 0 H GLY A 79 133.834 -0.584 -5.987 1.00 1.27 H new ATOM 0 HA2 GLY A 79 134.741 -2.420 -7.996 1.00 1.35 H new ATOM 0 HA3 GLY A 79 133.141 -2.355 -7.284 1.00 1.35 H new ATOM 1278 N GLN A 80 132.623 -1.907 -9.821 1.00 1.37 N ATOM 1279 CA GLN A 80 132.059 -1.373 -11.093 1.00 1.39 C ATOM 1280 C GLN A 80 131.260 -0.101 -10.803 1.00 1.28 C ATOM 1281 O GLN A 80 131.206 0.369 -9.683 1.00 1.30 O ATOM 1282 CB GLN A 80 131.137 -2.419 -11.721 1.00 1.47 C ATOM 1283 CG GLN A 80 131.977 -3.494 -12.414 1.00 1.70 C ATOM 1284 CD GLN A 80 131.255 -4.840 -12.331 1.00 2.10 C ATOM 1285 OE1 GLN A 80 131.835 -5.830 -11.933 1.00 2.44 O ATOM 1286 NE2 GLN A 80 130.003 -4.918 -12.693 1.00 2.75 N ATOM 0 H GLN A 80 132.387 -2.878 -9.616 1.00 1.37 H new ATOM 0 HA GLN A 80 132.872 -1.143 -11.782 1.00 1.39 H new ATOM 0 HB2 GLN A 80 130.509 -2.872 -10.954 1.00 1.47 H new ATOM 0 HB3 GLN A 80 130.469 -1.945 -12.440 1.00 1.47 H new ATOM 0 HG2 GLN A 80 132.145 -3.223 -13.456 1.00 1.70 H new ATOM 0 HG3 GLN A 80 132.957 -3.565 -11.942 1.00 1.70 H new ATOM 0 HE21 GLN A 80 129.516 -4.086 -13.027 1.00 2.75 H new ATOM 0 HE22 GLN A 80 129.512 -5.811 -12.642 1.00 2.75 H new ATOM 1295 N ARG A 81 130.638 0.461 -11.804 1.00 1.24 N ATOM 1296 CA ARG A 81 129.841 1.701 -11.585 1.00 1.17 C ATOM 1297 C ARG A 81 128.395 1.461 -12.022 1.00 1.14 C ATOM 1298 O ARG A 81 127.463 1.948 -11.412 1.00 1.10 O ATOM 1299 CB ARG A 81 130.440 2.846 -12.405 1.00 1.25 C ATOM 1300 CG ARG A 81 129.931 4.183 -11.861 1.00 1.52 C ATOM 1301 CD ARG A 81 130.886 5.302 -12.279 1.00 2.02 C ATOM 1302 NE ARG A 81 132.267 4.971 -11.829 1.00 2.42 N ATOM 1303 CZ ARG A 81 132.609 5.150 -10.582 1.00 2.94 C ATOM 1304 NH1 ARG A 81 132.849 6.354 -10.137 1.00 3.36 N ATOM 1305 NH2 ARG A 81 132.711 4.126 -9.780 1.00 3.60 N ATOM 0 H ARG A 81 130.648 0.115 -12.763 1.00 1.24 H new ATOM 0 HA ARG A 81 129.862 1.964 -10.527 1.00 1.17 H new ATOM 0 HB2 ARG A 81 131.528 2.812 -12.356 1.00 1.25 H new ATOM 0 HB3 ARG A 81 130.164 2.739 -13.454 1.00 1.25 H new ATOM 0 HG2 ARG A 81 128.930 4.385 -12.241 1.00 1.52 H new ATOM 0 HG3 ARG A 81 129.857 4.141 -10.774 1.00 1.52 H new ATOM 0 HD2 ARG A 81 130.865 5.427 -13.362 1.00 2.02 H new ATOM 0 HD3 ARG A 81 130.567 6.249 -11.843 1.00 2.02 H new ATOM 0 HE ARG A 81 132.946 4.604 -12.496 1.00 2.42 H new ATOM 0 HH11 ARG A 81 132.769 7.155 -10.764 1.00 3.36 H new ATOM 0 HH12 ARG A 81 133.116 6.494 -9.163 1.00 3.36 H new ATOM 0 HH21 ARG A 81 132.524 3.185 -10.127 1.00 3.60 H new ATOM 0 HH22 ARG A 81 132.978 4.266 -8.806 1.00 3.60 H new ATOM 1319 N THR A 82 128.198 0.711 -13.072 1.00 1.22 N ATOM 1320 CA THR A 82 126.811 0.439 -13.544 1.00 1.23 C ATOM 1321 C THR A 82 126.625 -1.067 -13.737 1.00 1.29 C ATOM 1322 O THR A 82 127.477 -1.743 -14.280 1.00 1.43 O ATOM 1323 CB THR A 82 126.571 1.158 -14.874 1.00 1.30 C ATOM 1324 OG1 THR A 82 127.445 0.629 -15.861 1.00 1.47 O ATOM 1325 CG2 THR A 82 126.836 2.654 -14.702 1.00 1.30 C ATOM 0 H THR A 82 128.937 0.275 -13.623 1.00 1.22 H new ATOM 0 HA THR A 82 126.098 0.802 -12.803 1.00 1.23 H new ATOM 0 HB THR A 82 125.538 1.009 -15.187 1.00 1.30 H new ATOM 0 HG1 THR A 82 127.291 1.087 -16.714 1.00 1.47 H new ATOM 0 HG21 THR A 82 126.665 3.165 -15.649 1.00 1.30 H new ATOM 0 HG22 THR A 82 126.164 3.058 -13.945 1.00 1.30 H new ATOM 0 HG23 THR A 82 127.869 2.807 -14.389 1.00 1.30 H new ATOM 1333 N ASP A 83 125.518 -1.599 -13.295 1.00 1.27 N ATOM 1334 CA ASP A 83 125.279 -3.061 -13.452 1.00 1.37 C ATOM 1335 C ASP A 83 125.056 -3.388 -14.930 1.00 1.49 C ATOM 1336 O ASP A 83 125.479 -2.660 -15.807 1.00 1.55 O ATOM 1337 CB ASP A 83 124.041 -3.462 -12.646 1.00 1.32 C ATOM 1338 CG ASP A 83 124.415 -4.559 -11.648 1.00 1.57 C ATOM 1339 OD1 ASP A 83 125.201 -5.419 -12.010 1.00 2.22 O ATOM 1340 OD2 ASP A 83 123.910 -4.520 -10.538 1.00 2.02 O ATOM 0 H ASP A 83 124.769 -1.084 -12.832 1.00 1.27 H new ATOM 0 HA ASP A 83 126.145 -3.613 -13.088 1.00 1.37 H new ATOM 0 HB2 ASP A 83 123.642 -2.596 -12.118 1.00 1.32 H new ATOM 0 HB3 ASP A 83 123.257 -3.817 -13.315 1.00 1.32 H new ATOM 1345 N LYS A 84 124.398 -4.478 -15.215 1.00 1.58 N ATOM 1346 CA LYS A 84 124.153 -4.851 -16.636 1.00 1.72 C ATOM 1347 C LYS A 84 122.851 -4.207 -17.119 1.00 1.70 C ATOM 1348 O LYS A 84 122.583 -4.141 -18.302 1.00 1.92 O ATOM 1349 CB LYS A 84 124.043 -6.373 -16.752 1.00 1.84 C ATOM 1350 CG LYS A 84 125.443 -6.978 -16.879 1.00 2.32 C ATOM 1351 CD LYS A 84 125.551 -7.742 -18.201 1.00 2.73 C ATOM 1352 CE LYS A 84 125.331 -9.234 -17.949 1.00 3.24 C ATOM 1353 NZ LYS A 84 125.392 -9.970 -19.243 1.00 3.72 N ATOM 0 H LYS A 84 124.019 -5.126 -14.525 1.00 1.58 H new ATOM 0 HA LYS A 84 124.981 -4.498 -17.251 1.00 1.72 H new ATOM 0 HB2 LYS A 84 123.538 -6.780 -15.876 1.00 1.84 H new ATOM 0 HB3 LYS A 84 123.440 -6.640 -17.620 1.00 1.84 H new ATOM 0 HG2 LYS A 84 126.196 -6.191 -16.839 1.00 2.32 H new ATOM 0 HG3 LYS A 84 125.638 -7.649 -16.042 1.00 2.32 H new ATOM 0 HD2 LYS A 84 124.811 -7.369 -18.910 1.00 2.73 H new ATOM 0 HD3 LYS A 84 126.532 -7.579 -18.648 1.00 2.73 H new ATOM 0 HE2 LYS A 84 126.090 -9.614 -17.266 1.00 3.24 H new ATOM 0 HE3 LYS A 84 124.364 -9.395 -17.472 1.00 3.24 H new ATOM 0 HZ1 LYS A 84 125.242 -10.985 -19.072 1.00 3.72 H new ATOM 0 HZ2 LYS A 84 124.652 -9.613 -19.881 1.00 3.72 H new ATOM 0 HZ3 LYS A 84 126.324 -9.826 -19.681 1.00 3.72 H new ATOM 1367 N TYR A 85 122.039 -3.733 -16.214 1.00 1.53 N ATOM 1368 CA TYR A 85 120.756 -3.096 -16.628 1.00 1.57 C ATOM 1369 C TYR A 85 120.899 -1.573 -16.579 1.00 1.52 C ATOM 1370 O TYR A 85 119.946 -0.844 -16.775 1.00 1.56 O ATOM 1371 CB TYR A 85 119.638 -3.534 -15.680 1.00 1.52 C ATOM 1372 CG TYR A 85 119.132 -4.895 -16.097 1.00 1.69 C ATOM 1373 CD1 TYR A 85 119.959 -6.017 -15.969 1.00 1.89 C ATOM 1374 CD2 TYR A 85 117.838 -5.033 -16.611 1.00 2.03 C ATOM 1375 CE1 TYR A 85 119.491 -7.279 -16.356 1.00 2.09 C ATOM 1376 CE2 TYR A 85 117.370 -6.294 -16.998 1.00 2.32 C ATOM 1377 CZ TYR A 85 118.196 -7.417 -16.870 1.00 2.22 C ATOM 1378 OH TYR A 85 117.735 -8.661 -17.252 1.00 2.54 O ATOM 0 H TYR A 85 122.207 -3.759 -15.208 1.00 1.53 H new ATOM 0 HA TYR A 85 120.512 -3.404 -17.645 1.00 1.57 H new ATOM 0 HB2 TYR A 85 120.008 -3.570 -14.655 1.00 1.52 H new ATOM 0 HB3 TYR A 85 118.824 -2.809 -15.700 1.00 1.52 H new ATOM 0 HD1 TYR A 85 120.958 -5.910 -15.572 1.00 1.89 H new ATOM 0 HD2 TYR A 85 117.201 -4.167 -16.709 1.00 2.03 H new ATOM 0 HE1 TYR A 85 120.129 -8.145 -16.258 1.00 2.09 H new ATOM 0 HE2 TYR A 85 116.371 -6.401 -17.395 1.00 2.32 H new ATOM 0 HH TYR A 85 116.817 -8.581 -17.586 1.00 2.54 H new ATOM 1388 N GLY A 86 122.082 -1.085 -16.322 1.00 1.49 N ATOM 1389 CA GLY A 86 122.282 0.391 -16.266 1.00 1.51 C ATOM 1390 C GLY A 86 121.907 0.911 -14.877 1.00 1.33 C ATOM 1391 O GLY A 86 121.406 2.008 -14.730 1.00 1.41 O ATOM 0 H GLY A 86 122.918 -1.644 -16.149 1.00 1.49 H new ATOM 0 HA2 GLY A 86 123.321 0.635 -16.488 1.00 1.51 H new ATOM 0 HA3 GLY A 86 121.671 0.879 -17.025 1.00 1.51 H new ATOM 1395 N ARG A 87 122.149 0.136 -13.856 1.00 1.18 N ATOM 1396 CA ARG A 87 121.808 0.594 -12.479 1.00 1.04 C ATOM 1397 C ARG A 87 123.043 1.227 -11.836 1.00 0.97 C ATOM 1398 O ARG A 87 124.150 0.752 -11.993 1.00 1.08 O ATOM 1399 CB ARG A 87 121.350 -0.599 -11.639 1.00 1.08 C ATOM 1400 CG ARG A 87 120.418 -1.483 -12.471 1.00 1.52 C ATOM 1401 CD ARG A 87 119.322 -0.619 -13.097 1.00 1.68 C ATOM 1402 NE ARG A 87 118.204 -1.491 -13.555 1.00 2.09 N ATOM 1403 CZ ARG A 87 116.987 -1.022 -13.599 1.00 2.56 C ATOM 1404 NH1 ARG A 87 116.716 0.019 -14.337 1.00 3.23 N ATOM 1405 NH2 ARG A 87 116.041 -1.595 -12.907 1.00 2.93 N ATOM 0 H ARG A 87 122.567 -0.793 -13.915 1.00 1.18 H new ATOM 0 HA ARG A 87 121.004 1.329 -12.529 1.00 1.04 H new ATOM 0 HB2 ARG A 87 122.213 -1.175 -11.306 1.00 1.08 H new ATOM 0 HB3 ARG A 87 120.835 -0.250 -10.744 1.00 1.08 H new ATOM 0 HG2 ARG A 87 120.983 -1.994 -13.251 1.00 1.52 H new ATOM 0 HG3 ARG A 87 119.973 -2.254 -11.842 1.00 1.52 H new ATOM 0 HD2 ARG A 87 118.957 0.107 -12.371 1.00 1.68 H new ATOM 0 HD3 ARG A 87 119.725 -0.054 -13.938 1.00 1.68 H new ATOM 0 HE ARG A 87 118.390 -2.454 -13.834 1.00 2.09 H new ATOM 0 HH11 ARG A 87 117.455 0.466 -14.879 1.00 3.23 H new ATOM 0 HH12 ARG A 87 115.765 0.386 -14.372 1.00 3.23 H new ATOM 0 HH21 ARG A 87 116.252 -2.410 -12.331 1.00 2.93 H new ATOM 0 HH22 ARG A 87 115.090 -1.228 -12.942 1.00 2.93 H new ATOM 1419 N GLY A 88 122.863 2.299 -11.113 1.00 0.88 N ATOM 1420 CA GLY A 88 124.028 2.962 -10.462 1.00 0.88 C ATOM 1421 C GLY A 88 124.429 2.183 -9.208 1.00 0.82 C ATOM 1422 O GLY A 88 123.894 2.393 -8.138 1.00 0.89 O ATOM 0 H GLY A 88 121.960 2.744 -10.945 1.00 0.88 H new ATOM 0 HA2 GLY A 88 124.867 3.009 -11.156 1.00 0.88 H new ATOM 0 HA3 GLY A 88 123.774 3.989 -10.199 1.00 0.88 H new ATOM 1426 N LEU A 89 125.369 1.285 -9.330 1.00 0.85 N ATOM 1427 CA LEU A 89 125.803 0.496 -8.143 1.00 0.82 C ATOM 1428 C LEU A 89 126.597 1.399 -7.198 1.00 0.78 C ATOM 1429 O LEU A 89 127.757 1.682 -7.423 1.00 0.84 O ATOM 1430 CB LEU A 89 126.689 -0.666 -8.598 1.00 0.93 C ATOM 1431 CG LEU A 89 125.839 -1.700 -9.339 1.00 1.04 C ATOM 1432 CD1 LEU A 89 126.678 -2.950 -9.610 1.00 1.29 C ATOM 1433 CD2 LEU A 89 124.630 -2.076 -8.480 1.00 1.09 C ATOM 0 H LEU A 89 125.854 1.064 -10.200 1.00 0.85 H new ATOM 0 HA LEU A 89 124.927 0.104 -7.626 1.00 0.82 H new ATOM 0 HB2 LEU A 89 127.482 -0.298 -9.249 1.00 0.93 H new ATOM 0 HB3 LEU A 89 127.172 -1.127 -7.737 1.00 0.93 H new ATOM 0 HG LEU A 89 125.497 -1.279 -10.284 1.00 1.04 H new ATOM 0 HD11 LEU A 89 126.073 -3.687 -10.138 1.00 1.29 H new ATOM 0 HD12 LEU A 89 127.540 -2.684 -10.221 1.00 1.29 H new ATOM 0 HD13 LEU A 89 127.019 -3.371 -8.664 1.00 1.29 H new ATOM 0 HD21 LEU A 89 124.024 -2.813 -9.007 1.00 1.09 H new ATOM 0 HD22 LEU A 89 124.972 -2.497 -7.535 1.00 1.09 H new ATOM 0 HD23 LEU A 89 124.031 -1.186 -8.285 1.00 1.09 H new ATOM 1445 N ALA A 90 125.983 1.856 -6.141 1.00 0.71 N ATOM 1446 CA ALA A 90 126.706 2.742 -5.186 1.00 0.69 C ATOM 1447 C ALA A 90 125.927 2.823 -3.872 1.00 0.61 C ATOM 1448 O ALA A 90 124.991 2.081 -3.646 1.00 0.58 O ATOM 1449 CB ALA A 90 126.834 4.142 -5.789 1.00 0.70 C ATOM 0 H ALA A 90 125.013 1.654 -5.898 1.00 0.71 H new ATOM 0 HA ALA A 90 127.699 2.335 -4.994 1.00 0.69 H new ATOM 0 HB1 ALA A 90 127.363 4.792 -5.092 1.00 0.70 H new ATOM 0 HB2 ALA A 90 127.390 4.086 -6.725 1.00 0.70 H new ATOM 0 HB3 ALA A 90 125.841 4.548 -5.981 1.00 0.70 H new ATOM 1455 N TYR A 91 126.306 3.719 -3.003 1.00 0.63 N ATOM 1456 CA TYR A 91 125.590 3.850 -1.703 1.00 0.59 C ATOM 1457 C TYR A 91 124.938 5.231 -1.618 1.00 0.56 C ATOM 1458 O TYR A 91 125.477 6.212 -2.092 1.00 0.61 O ATOM 1459 CB TYR A 91 126.587 3.683 -0.555 1.00 0.66 C ATOM 1460 CG TYR A 91 127.357 2.398 -0.743 1.00 0.69 C ATOM 1461 CD1 TYR A 91 126.839 1.193 -0.254 1.00 0.72 C ATOM 1462 CD2 TYR A 91 128.589 2.412 -1.408 1.00 0.76 C ATOM 1463 CE1 TYR A 91 127.553 0.001 -0.430 1.00 0.79 C ATOM 1464 CE2 TYR A 91 129.303 1.221 -1.584 1.00 0.83 C ATOM 1465 CZ TYR A 91 128.785 0.015 -1.095 1.00 0.83 C ATOM 1466 OH TYR A 91 129.489 -1.159 -1.268 1.00 0.93 O ATOM 0 H TYR A 91 127.082 4.367 -3.137 1.00 0.63 H new ATOM 0 HA TYR A 91 124.821 3.081 -1.631 1.00 0.59 H new ATOM 0 HB2 TYR A 91 127.272 4.530 -0.528 1.00 0.66 H new ATOM 0 HB3 TYR A 91 126.061 3.668 0.399 1.00 0.66 H new ATOM 0 HD1 TYR A 91 125.889 1.182 0.259 1.00 0.72 H new ATOM 0 HD2 TYR A 91 128.988 3.342 -1.785 1.00 0.76 H new ATOM 0 HE1 TYR A 91 127.153 -0.929 -0.053 1.00 0.79 H new ATOM 0 HE2 TYR A 91 130.253 1.232 -2.097 1.00 0.83 H new ATOM 0 HH TYR A 91 130.351 -0.964 -1.693 1.00 0.93 H new ATOM 1476 N ILE A 92 123.782 5.317 -1.020 1.00 0.54 N ATOM 1477 CA ILE A 92 123.099 6.636 -0.909 1.00 0.54 C ATOM 1478 C ILE A 92 123.265 7.176 0.513 1.00 0.58 C ATOM 1479 O ILE A 92 123.426 6.428 1.457 1.00 0.63 O ATOM 1480 CB ILE A 92 121.613 6.462 -1.221 1.00 0.52 C ATOM 1481 CG1 ILE A 92 121.453 5.544 -2.435 1.00 0.54 C ATOM 1482 CG2 ILE A 92 120.992 7.825 -1.529 1.00 0.61 C ATOM 1483 CD1 ILE A 92 122.218 6.128 -3.624 1.00 0.59 C ATOM 0 H ILE A 92 123.281 4.532 -0.604 1.00 0.54 H new ATOM 0 HA ILE A 92 123.540 7.339 -1.616 1.00 0.54 H new ATOM 0 HB ILE A 92 121.110 6.021 -0.360 1.00 0.52 H new ATOM 0 HG12 ILE A 92 121.828 4.548 -2.202 1.00 0.54 H new ATOM 0 HG13 ILE A 92 120.398 5.437 -2.686 1.00 0.54 H new ATOM 0 HG21 ILE A 92 119.932 7.700 -1.751 1.00 0.61 H new ATOM 0 HG22 ILE A 92 121.107 8.481 -0.666 1.00 0.61 H new ATOM 0 HG23 ILE A 92 121.494 8.267 -2.390 1.00 0.61 H new ATOM 0 HD11 ILE A 92 122.103 5.473 -4.488 1.00 0.59 H new ATOM 0 HD12 ILE A 92 121.822 7.115 -3.862 1.00 0.59 H new ATOM 0 HD13 ILE A 92 123.275 6.212 -3.371 1.00 0.59 H new ATOM 1495 N TYR A 93 123.230 8.471 0.675 1.00 0.61 N ATOM 1496 CA TYR A 93 123.389 9.054 2.036 1.00 0.67 C ATOM 1497 C TYR A 93 122.340 10.147 2.252 1.00 0.72 C ATOM 1498 O TYR A 93 122.530 11.287 1.876 1.00 0.78 O ATOM 1499 CB TYR A 93 124.789 9.656 2.172 1.00 0.73 C ATOM 1500 CG TYR A 93 125.804 8.545 2.297 1.00 0.73 C ATOM 1501 CD1 TYR A 93 126.101 8.005 3.554 1.00 0.80 C ATOM 1502 CD2 TYR A 93 126.449 8.053 1.155 1.00 0.73 C ATOM 1503 CE1 TYR A 93 127.042 6.974 3.669 1.00 0.85 C ATOM 1504 CE2 TYR A 93 127.389 7.023 1.270 1.00 0.77 C ATOM 1505 CZ TYR A 93 127.686 6.483 2.527 1.00 0.82 C ATOM 1506 OH TYR A 93 128.612 5.467 2.641 1.00 0.90 O ATOM 0 H TYR A 93 123.098 9.149 -0.076 1.00 0.61 H new ATOM 0 HA TYR A 93 123.255 8.272 2.783 1.00 0.67 H new ATOM 0 HB2 TYR A 93 125.016 10.275 1.304 1.00 0.73 H new ATOM 0 HB3 TYR A 93 124.834 10.305 3.047 1.00 0.73 H new ATOM 0 HD1 TYR A 93 125.604 8.383 4.435 1.00 0.80 H new ATOM 0 HD2 TYR A 93 126.221 8.469 0.185 1.00 0.73 H new ATOM 0 HE1 TYR A 93 127.271 6.558 4.639 1.00 0.85 H new ATOM 0 HE2 TYR A 93 127.886 6.644 0.389 1.00 0.77 H new ATOM 0 HH TYR A 93 128.236 4.740 3.180 1.00 0.90 H new ATOM 1516 N ALA A 94 121.234 9.810 2.859 1.00 0.76 N ATOM 1517 CA ALA A 94 120.176 10.830 3.101 1.00 0.83 C ATOM 1518 C ALA A 94 120.472 11.567 4.409 1.00 0.91 C ATOM 1519 O ALA A 94 120.461 10.985 5.475 1.00 0.94 O ATOM 1520 CB ALA A 94 118.814 10.140 3.202 1.00 0.84 C ATOM 0 H ALA A 94 121.018 8.872 3.197 1.00 0.76 H new ATOM 0 HA ALA A 94 120.161 11.542 2.276 1.00 0.83 H new ATOM 0 HB1 ALA A 94 118.040 10.887 3.379 1.00 0.84 H new ATOM 0 HB2 ALA A 94 118.603 9.613 2.272 1.00 0.84 H new ATOM 0 HB3 ALA A 94 118.827 9.428 4.027 1.00 0.84 H new ATOM 1526 N ASP A 95 120.738 12.844 4.335 1.00 0.99 N ATOM 1527 CA ASP A 95 121.035 13.619 5.574 1.00 1.11 C ATOM 1528 C ASP A 95 122.311 13.080 6.225 1.00 1.11 C ATOM 1529 O ASP A 95 122.412 12.987 7.432 1.00 1.21 O ATOM 1530 CB ASP A 95 119.866 13.488 6.554 1.00 1.19 C ATOM 1531 CG ASP A 95 118.622 14.144 5.954 1.00 1.33 C ATOM 1532 OD1 ASP A 95 118.773 15.149 5.280 1.00 1.99 O ATOM 1533 OD2 ASP A 95 117.538 13.630 6.180 1.00 1.54 O ATOM 0 H ASP A 95 120.762 13.384 3.470 1.00 0.99 H new ATOM 0 HA ASP A 95 121.176 14.669 5.317 1.00 1.11 H new ATOM 0 HB2 ASP A 95 119.670 12.437 6.765 1.00 1.19 H new ATOM 0 HB3 ASP A 95 120.118 13.961 7.503 1.00 1.19 H new ATOM 1538 N GLY A 96 123.288 12.727 5.435 1.00 1.03 N ATOM 1539 CA GLY A 96 124.558 12.198 6.009 1.00 1.06 C ATOM 1540 C GLY A 96 124.319 10.806 6.599 1.00 1.01 C ATOM 1541 O GLY A 96 125.158 10.263 7.290 1.00 1.08 O ATOM 0 H GLY A 96 123.262 12.782 4.417 1.00 1.03 H new ATOM 0 HA2 GLY A 96 125.325 12.149 5.236 1.00 1.06 H new ATOM 0 HA3 GLY A 96 124.927 12.872 6.782 1.00 1.06 H new ATOM 1545 N LYS A 97 123.182 10.223 6.333 1.00 0.99 N ATOM 1546 CA LYS A 97 122.895 8.867 6.879 1.00 0.98 C ATOM 1547 C LYS A 97 122.944 7.840 5.746 1.00 0.87 C ATOM 1548 O LYS A 97 122.364 8.033 4.696 1.00 0.88 O ATOM 1549 CB LYS A 97 121.504 8.858 7.517 1.00 1.06 C ATOM 1550 CG LYS A 97 121.369 10.054 8.461 1.00 1.28 C ATOM 1551 CD LYS A 97 121.855 9.660 9.858 1.00 1.54 C ATOM 1552 CE LYS A 97 122.576 10.846 10.501 1.00 1.81 C ATOM 1553 NZ LYS A 97 123.163 10.424 11.805 1.00 2.25 N ATOM 0 H LYS A 97 122.440 10.627 5.761 1.00 0.99 H new ATOM 0 HA LYS A 97 123.641 8.613 7.632 1.00 0.98 H new ATOM 0 HB2 LYS A 97 120.737 8.903 6.744 1.00 1.06 H new ATOM 0 HB3 LYS A 97 121.350 7.929 8.065 1.00 1.06 H new ATOM 0 HG2 LYS A 97 121.952 10.895 8.085 1.00 1.28 H new ATOM 0 HG3 LYS A 97 120.330 10.381 8.505 1.00 1.28 H new ATOM 0 HD2 LYS A 97 121.010 9.356 10.476 1.00 1.54 H new ATOM 0 HD3 LYS A 97 122.527 8.804 9.793 1.00 1.54 H new ATOM 0 HE2 LYS A 97 123.361 11.211 9.838 1.00 1.81 H new ATOM 0 HE3 LYS A 97 121.879 11.670 10.654 1.00 1.81 H new ATOM 0 HZ1 LYS A 97 123.653 11.230 12.242 1.00 2.25 H new ATOM 0 HZ2 LYS A 97 122.405 10.096 12.437 1.00 2.25 H new ATOM 0 HZ3 LYS A 97 123.841 9.651 11.647 1.00 2.25 H new ATOM 1567 N MET A 98 123.631 6.750 5.949 1.00 0.82 N ATOM 1568 CA MET A 98 123.715 5.713 4.882 1.00 0.74 C ATOM 1569 C MET A 98 122.322 5.139 4.620 1.00 0.67 C ATOM 1570 O MET A 98 121.855 4.268 5.327 1.00 0.69 O ATOM 1571 CB MET A 98 124.654 4.591 5.331 1.00 0.80 C ATOM 1572 CG MET A 98 124.770 3.547 4.219 1.00 1.22 C ATOM 1573 SD MET A 98 126.088 4.028 3.076 1.00 1.55 S ATOM 1574 CE MET A 98 127.084 2.525 3.232 1.00 1.39 C ATOM 0 H MET A 98 124.138 6.532 6.807 1.00 0.82 H new ATOM 0 HA MET A 98 124.101 6.163 3.967 1.00 0.74 H new ATOM 0 HB2 MET A 98 125.637 4.998 5.566 1.00 0.80 H new ATOM 0 HB3 MET A 98 124.275 4.127 6.242 1.00 0.80 H new ATOM 0 HG2 MET A 98 124.984 2.567 4.646 1.00 1.22 H new ATOM 0 HG3 MET A 98 123.824 3.462 3.685 1.00 1.22 H new ATOM 0 HE1 MET A 98 127.948 2.591 2.571 1.00 1.39 H new ATOM 0 HE2 MET A 98 127.422 2.418 4.263 1.00 1.39 H new ATOM 0 HE3 MET A 98 126.482 1.659 2.956 1.00 1.39 H new ATOM 1584 N VAL A 99 121.654 5.620 3.608 1.00 0.65 N ATOM 1585 CA VAL A 99 120.291 5.103 3.300 1.00 0.60 C ATOM 1586 C VAL A 99 120.286 3.577 3.408 1.00 0.56 C ATOM 1587 O VAL A 99 119.386 2.988 3.973 1.00 0.58 O ATOM 1588 CB VAL A 99 119.900 5.515 1.880 1.00 0.60 C ATOM 1589 CG1 VAL A 99 118.501 4.986 1.561 1.00 0.64 C ATOM 1590 CG2 VAL A 99 119.903 7.042 1.774 1.00 0.72 C ATOM 0 H VAL A 99 121.993 6.349 2.981 1.00 0.65 H new ATOM 0 HA VAL A 99 119.576 5.519 4.010 1.00 0.60 H new ATOM 0 HB VAL A 99 120.616 5.099 1.171 1.00 0.60 H new ATOM 0 HG11 VAL A 99 118.223 5.280 0.549 1.00 0.64 H new ATOM 0 HG12 VAL A 99 118.497 3.899 1.637 1.00 0.64 H new ATOM 0 HG13 VAL A 99 117.784 5.402 2.269 1.00 0.64 H new ATOM 0 HG21 VAL A 99 119.624 7.337 0.762 1.00 0.72 H new ATOM 0 HG22 VAL A 99 119.187 7.457 2.483 1.00 0.72 H new ATOM 0 HG23 VAL A 99 120.900 7.421 2.001 1.00 0.72 H new ATOM 1600 N ASN A 100 121.283 2.931 2.867 1.00 0.55 N ATOM 1601 CA ASN A 100 121.332 1.443 2.936 1.00 0.56 C ATOM 1602 C ASN A 100 121.445 0.995 4.396 1.00 0.58 C ATOM 1603 O ASN A 100 120.771 0.081 4.828 1.00 0.57 O ATOM 1604 CB ASN A 100 122.546 0.938 2.153 1.00 0.60 C ATOM 1605 CG ASN A 100 122.546 1.557 0.754 1.00 0.61 C ATOM 1606 OD1 ASN A 100 121.847 2.518 0.503 1.00 0.75 O ATOM 1607 ND2 ASN A 100 123.305 1.042 -0.174 1.00 0.59 N ATOM 0 H ASN A 100 122.065 3.369 2.381 1.00 0.55 H new ATOM 0 HA ASN A 100 120.420 1.032 2.504 1.00 0.56 H new ATOM 0 HB2 ASN A 100 123.465 1.200 2.678 1.00 0.60 H new ATOM 0 HB3 ASN A 100 122.519 -0.149 2.081 1.00 0.60 H new ATOM 0 HD21 ASN A 100 123.311 1.446 -1.110 1.00 0.59 H new ATOM 0 HD22 ASN A 100 123.892 0.235 0.037 1.00 0.59 H new ATOM 1614 N GLU A 101 122.295 1.627 5.160 1.00 0.66 N ATOM 1615 CA GLU A 101 122.451 1.230 6.589 1.00 0.71 C ATOM 1616 C GLU A 101 121.170 1.561 7.359 1.00 0.72 C ATOM 1617 O GLU A 101 120.967 1.106 8.467 1.00 0.78 O ATOM 1618 CB GLU A 101 123.626 1.991 7.206 1.00 0.79 C ATOM 1619 CG GLU A 101 124.278 1.129 8.289 1.00 0.93 C ATOM 1620 CD GLU A 101 125.115 2.015 9.214 1.00 1.38 C ATOM 1621 OE1 GLU A 101 125.820 2.870 8.705 1.00 2.03 O ATOM 1622 OE2 GLU A 101 125.037 1.822 10.417 1.00 1.93 O ATOM 0 H GLU A 101 122.887 2.400 4.857 1.00 0.66 H new ATOM 0 HA GLU A 101 122.641 0.158 6.646 1.00 0.71 H new ATOM 0 HB2 GLU A 101 124.356 2.241 6.436 1.00 0.79 H new ATOM 0 HB3 GLU A 101 123.280 2.932 7.634 1.00 0.79 H new ATOM 0 HG2 GLU A 101 123.512 0.607 8.863 1.00 0.93 H new ATOM 0 HG3 GLU A 101 124.908 0.366 7.831 1.00 0.93 H new ATOM 1629 N ALA A 102 120.303 2.349 6.783 1.00 0.70 N ATOM 1630 CA ALA A 102 119.039 2.703 7.488 1.00 0.75 C ATOM 1631 C ALA A 102 117.989 1.625 7.223 1.00 0.72 C ATOM 1632 O ALA A 102 117.374 1.103 8.132 1.00 0.81 O ATOM 1633 CB ALA A 102 118.527 4.050 6.974 1.00 0.77 C ATOM 0 H ALA A 102 120.415 2.762 5.857 1.00 0.70 H new ATOM 0 HA ALA A 102 119.228 2.771 8.559 1.00 0.75 H new ATOM 0 HB1 ALA A 102 117.602 4.309 7.490 1.00 0.77 H new ATOM 0 HB2 ALA A 102 119.275 4.820 7.163 1.00 0.77 H new ATOM 0 HB3 ALA A 102 118.338 3.983 5.903 1.00 0.77 H new ATOM 1639 N LEU A 103 117.781 1.290 5.983 1.00 0.66 N ATOM 1640 CA LEU A 103 116.772 0.247 5.649 1.00 0.68 C ATOM 1641 C LEU A 103 117.198 -1.091 6.255 1.00 0.73 C ATOM 1642 O LEU A 103 116.377 -1.920 6.596 1.00 0.90 O ATOM 1643 CB LEU A 103 116.667 0.110 4.130 1.00 0.66 C ATOM 1644 CG LEU A 103 115.817 1.252 3.572 1.00 0.66 C ATOM 1645 CD1 LEU A 103 116.278 1.587 2.153 1.00 0.69 C ATOM 1646 CD2 LEU A 103 114.348 0.823 3.544 1.00 0.78 C ATOM 0 H LEU A 103 118.267 1.694 5.183 1.00 0.66 H new ATOM 0 HA LEU A 103 115.803 0.535 6.056 1.00 0.68 H new ATOM 0 HB2 LEU A 103 117.661 0.130 3.683 1.00 0.66 H new ATOM 0 HB3 LEU A 103 116.220 -0.850 3.871 1.00 0.66 H new ATOM 0 HG LEU A 103 115.929 2.132 4.205 1.00 0.66 H new ATOM 0 HD11 LEU A 103 115.672 2.401 1.756 1.00 0.69 H new ATOM 0 HD12 LEU A 103 117.325 1.890 2.173 1.00 0.69 H new ATOM 0 HD13 LEU A 103 116.167 0.709 1.517 1.00 0.69 H new ATOM 0 HD21 LEU A 103 113.739 1.635 3.147 1.00 0.78 H new ATOM 0 HD22 LEU A 103 114.238 -0.057 2.910 1.00 0.78 H new ATOM 0 HD23 LEU A 103 114.019 0.585 4.556 1.00 0.78 H new ATOM 1658 N VAL A 104 118.477 -1.311 6.393 1.00 0.66 N ATOM 1659 CA VAL A 104 118.953 -2.596 6.977 1.00 0.72 C ATOM 1660 C VAL A 104 118.844 -2.534 8.502 1.00 0.78 C ATOM 1661 O VAL A 104 118.413 -3.473 9.143 1.00 0.84 O ATOM 1662 CB VAL A 104 120.412 -2.828 6.581 1.00 0.74 C ATOM 1663 CG1 VAL A 104 120.806 -4.269 6.909 1.00 0.84 C ATOM 1664 CG2 VAL A 104 120.578 -2.584 5.079 1.00 0.73 C ATOM 0 H VAL A 104 119.212 -0.656 6.127 1.00 0.66 H new ATOM 0 HA VAL A 104 118.340 -3.415 6.600 1.00 0.72 H new ATOM 0 HB VAL A 104 121.052 -2.141 7.134 1.00 0.74 H new ATOM 0 HG11 VAL A 104 121.846 -4.435 6.627 1.00 0.84 H new ATOM 0 HG12 VAL A 104 120.688 -4.444 7.978 1.00 0.84 H new ATOM 0 HG13 VAL A 104 120.166 -4.956 6.356 1.00 0.84 H new ATOM 0 HG21 VAL A 104 121.618 -2.749 4.796 1.00 0.73 H new ATOM 0 HG22 VAL A 104 119.938 -3.271 4.526 1.00 0.73 H new ATOM 0 HG23 VAL A 104 120.297 -1.557 4.844 1.00 0.73 H new ATOM 1674 N ARG A 105 119.234 -1.436 9.088 1.00 0.78 N ATOM 1675 CA ARG A 105 119.156 -1.313 10.571 1.00 0.85 C ATOM 1676 C ARG A 105 117.695 -1.154 10.999 1.00 0.87 C ATOM 1677 O ARG A 105 117.370 -1.219 12.168 1.00 0.98 O ATOM 1678 CB ARG A 105 119.956 -0.089 11.022 1.00 0.91 C ATOM 1679 CG ARG A 105 120.024 -0.058 12.550 1.00 1.02 C ATOM 1680 CD ARG A 105 121.196 0.821 12.992 1.00 1.46 C ATOM 1681 NE ARG A 105 120.695 1.900 13.889 1.00 1.90 N ATOM 1682 CZ ARG A 105 119.597 2.540 13.591 1.00 2.14 C ATOM 1683 NH1 ARG A 105 119.538 3.264 12.508 1.00 2.82 N ATOM 1684 NH2 ARG A 105 118.559 2.454 14.377 1.00 2.45 N ATOM 0 H ARG A 105 119.604 -0.618 8.604 1.00 0.78 H new ATOM 0 HA ARG A 105 119.570 -2.210 11.031 1.00 0.85 H new ATOM 0 HB2 ARG A 105 120.962 -0.124 10.603 1.00 0.91 H new ATOM 0 HB3 ARG A 105 119.488 0.822 10.650 1.00 0.91 H new ATOM 0 HG2 ARG A 105 119.091 0.330 12.958 1.00 1.02 H new ATOM 0 HG3 ARG A 105 120.147 -1.069 12.940 1.00 1.02 H new ATOM 0 HD2 ARG A 105 121.941 0.218 13.511 1.00 1.46 H new ATOM 0 HD3 ARG A 105 121.687 1.256 12.122 1.00 1.46 H new ATOM 0 HE ARG A 105 121.210 2.139 14.736 1.00 1.90 H new ATOM 0 HH11 ARG A 105 120.350 3.330 11.894 1.00 2.82 H new ATOM 0 HH12 ARG A 105 118.680 3.764 12.275 1.00 2.82 H new ATOM 0 HH21 ARG A 105 118.606 1.887 15.224 1.00 2.45 H new ATOM 0 HH22 ARG A 105 117.701 2.954 14.145 1.00 2.45 H new ATOM 1698 N GLN A 106 116.811 -0.945 10.062 1.00 0.84 N ATOM 1699 CA GLN A 106 115.373 -0.782 10.418 1.00 0.88 C ATOM 1700 C GLN A 106 114.668 -2.136 10.323 1.00 0.90 C ATOM 1701 O GLN A 106 113.566 -2.308 10.805 1.00 1.05 O ATOM 1702 CB GLN A 106 114.715 0.203 9.448 1.00 0.89 C ATOM 1703 CG GLN A 106 114.718 1.605 10.061 1.00 1.10 C ATOM 1704 CD GLN A 106 113.552 1.738 11.042 1.00 1.36 C ATOM 1705 OE1 GLN A 106 113.739 2.139 12.174 1.00 2.12 O ATOM 1706 NE2 GLN A 106 112.348 1.417 10.655 1.00 1.84 N ATOM 0 H GLN A 106 117.022 -0.880 9.066 1.00 0.84 H new ATOM 0 HA GLN A 106 115.292 -0.400 11.435 1.00 0.88 H new ATOM 0 HB2 GLN A 106 115.252 0.209 8.499 1.00 0.89 H new ATOM 0 HB3 GLN A 106 113.693 -0.109 9.234 1.00 0.89 H new ATOM 0 HG2 GLN A 106 115.662 1.786 10.575 1.00 1.10 H new ATOM 0 HG3 GLN A 106 114.634 2.356 9.276 1.00 1.10 H new ATOM 0 HE21 GLN A 106 112.190 1.080 9.705 1.00 1.84 H new ATOM 0 HE22 GLN A 106 111.564 1.503 11.302 1.00 1.84 H new ATOM 1715 N GLY A 107 115.293 -3.100 9.705 1.00 0.87 N ATOM 1716 CA GLY A 107 114.657 -4.442 9.580 1.00 0.93 C ATOM 1717 C GLY A 107 113.716 -4.450 8.373 1.00 0.91 C ATOM 1718 O GLY A 107 112.695 -5.108 8.375 1.00 1.04 O ATOM 0 H GLY A 107 116.217 -3.017 9.281 1.00 0.87 H new ATOM 0 HA2 GLY A 107 115.422 -5.209 9.463 1.00 0.93 H new ATOM 0 HA3 GLY A 107 114.103 -4.680 10.488 1.00 0.93 H new ATOM 1722 N LEU A 108 114.051 -3.723 7.342 1.00 0.81 N ATOM 1723 CA LEU A 108 113.173 -3.691 6.139 1.00 0.82 C ATOM 1724 C LEU A 108 113.966 -4.144 4.911 1.00 0.79 C ATOM 1725 O LEU A 108 113.466 -4.140 3.803 1.00 0.83 O ATOM 1726 CB LEU A 108 112.660 -2.267 5.918 1.00 0.80 C ATOM 1727 CG LEU A 108 112.061 -1.731 7.219 1.00 0.84 C ATOM 1728 CD1 LEU A 108 111.837 -0.223 7.096 1.00 0.92 C ATOM 1729 CD2 LEU A 108 110.723 -2.424 7.486 1.00 0.95 C ATOM 0 H LEU A 108 114.893 -3.151 7.281 1.00 0.81 H new ATOM 0 HA LEU A 108 112.328 -4.362 6.291 1.00 0.82 H new ATOM 0 HB2 LEU A 108 113.475 -1.623 5.588 1.00 0.80 H new ATOM 0 HB3 LEU A 108 111.908 -2.259 5.129 1.00 0.80 H new ATOM 0 HG LEU A 108 112.746 -1.930 8.043 1.00 0.84 H new ATOM 0 HD11 LEU A 108 111.410 0.158 8.024 1.00 0.92 H new ATOM 0 HD12 LEU A 108 112.789 0.272 6.904 1.00 0.92 H new ATOM 0 HD13 LEU A 108 111.152 -0.023 6.272 1.00 0.92 H new ATOM 0 HD21 LEU A 108 110.295 -2.043 8.413 1.00 0.95 H new ATOM 0 HD22 LEU A 108 110.039 -2.224 6.661 1.00 0.95 H new ATOM 0 HD23 LEU A 108 110.881 -3.499 7.574 1.00 0.95 H new ATOM 1741 N ALA A 109 115.198 -4.535 5.094 1.00 0.78 N ATOM 1742 CA ALA A 109 116.013 -4.986 3.931 1.00 0.78 C ATOM 1743 C ALA A 109 117.179 -5.845 4.423 1.00 0.81 C ATOM 1744 O ALA A 109 117.721 -5.624 5.488 1.00 0.90 O ATOM 1745 CB ALA A 109 116.558 -3.765 3.188 1.00 0.76 C ATOM 0 H ALA A 109 115.674 -4.562 5.996 1.00 0.78 H new ATOM 0 HA ALA A 109 115.389 -5.575 3.258 1.00 0.78 H new ATOM 0 HB1 ALA A 109 117.155 -4.093 2.337 1.00 0.76 H new ATOM 0 HB2 ALA A 109 115.728 -3.153 2.835 1.00 0.76 H new ATOM 0 HB3 ALA A 109 117.181 -3.177 3.862 1.00 0.76 H new ATOM 1751 N LYS A 110 117.570 -6.825 3.654 1.00 0.82 N ATOM 1752 CA LYS A 110 118.701 -7.699 4.074 1.00 0.86 C ATOM 1753 C LYS A 110 119.924 -7.404 3.203 1.00 0.85 C ATOM 1754 O LYS A 110 119.804 -6.958 2.079 1.00 0.84 O ATOM 1755 CB LYS A 110 118.300 -9.166 3.908 1.00 0.93 C ATOM 1756 CG LYS A 110 117.049 -9.453 4.739 1.00 1.31 C ATOM 1757 CD LYS A 110 115.953 -10.019 3.834 1.00 1.71 C ATOM 1758 CE LYS A 110 114.634 -9.298 4.115 1.00 2.22 C ATOM 1759 NZ LYS A 110 114.075 -8.768 2.839 1.00 2.67 N ATOM 0 H LYS A 110 117.154 -7.058 2.752 1.00 0.82 H new ATOM 0 HA LYS A 110 118.943 -7.504 5.119 1.00 0.86 H new ATOM 0 HB2 LYS A 110 118.109 -9.385 2.857 1.00 0.93 H new ATOM 0 HB3 LYS A 110 119.116 -9.815 4.225 1.00 0.93 H new ATOM 0 HG2 LYS A 110 117.282 -10.163 5.533 1.00 1.31 H new ATOM 0 HG3 LYS A 110 116.702 -8.539 5.220 1.00 1.31 H new ATOM 0 HD2 LYS A 110 116.231 -9.895 2.787 1.00 1.71 H new ATOM 0 HD3 LYS A 110 115.839 -11.089 4.009 1.00 1.71 H new ATOM 0 HE2 LYS A 110 113.924 -9.983 4.578 1.00 2.22 H new ATOM 0 HE3 LYS A 110 114.796 -8.482 4.820 1.00 2.22 H new ATOM 0 HZ1 LYS A 110 113.178 -8.278 3.030 1.00 2.67 H new ATOM 0 HZ2 LYS A 110 114.751 -8.101 2.415 1.00 2.67 H new ATOM 0 HZ3 LYS A 110 113.906 -9.555 2.181 1.00 2.67 H new ATOM 1773 N VAL A 111 121.100 -7.652 3.711 1.00 0.90 N ATOM 1774 CA VAL A 111 122.328 -7.389 2.910 1.00 0.92 C ATOM 1775 C VAL A 111 122.307 -8.255 1.649 1.00 0.94 C ATOM 1776 O VAL A 111 122.218 -9.465 1.717 1.00 1.06 O ATOM 1777 CB VAL A 111 123.563 -7.728 3.746 1.00 1.04 C ATOM 1778 CG1 VAL A 111 124.825 -7.296 2.996 1.00 1.11 C ATOM 1779 CG2 VAL A 111 123.489 -6.987 5.083 1.00 1.03 C ATOM 0 H VAL A 111 121.263 -8.025 4.646 1.00 0.90 H new ATOM 0 HA VAL A 111 122.361 -6.337 2.626 1.00 0.92 H new ATOM 0 HB VAL A 111 123.597 -8.803 3.923 1.00 1.04 H new ATOM 0 HG11 VAL A 111 125.704 -7.538 3.593 1.00 1.11 H new ATOM 0 HG12 VAL A 111 124.879 -7.820 2.042 1.00 1.11 H new ATOM 0 HG13 VAL A 111 124.792 -6.221 2.818 1.00 1.11 H new ATOM 0 HG21 VAL A 111 124.368 -7.227 5.681 1.00 1.03 H new ATOM 0 HG22 VAL A 111 123.455 -5.913 4.902 1.00 1.03 H new ATOM 0 HG23 VAL A 111 122.591 -7.293 5.619 1.00 1.03 H new ATOM 1789 N ALA A 112 122.382 -7.645 0.498 1.00 0.88 N ATOM 1790 CA ALA A 112 122.359 -8.431 -0.767 1.00 0.94 C ATOM 1791 C ALA A 112 123.624 -9.287 -0.866 1.00 1.05 C ATOM 1792 O ALA A 112 124.598 -9.056 -0.178 1.00 1.11 O ATOM 1793 CB ALA A 112 122.294 -7.475 -1.960 1.00 0.91 C ATOM 0 H ALA A 112 122.458 -6.635 0.379 1.00 0.88 H new ATOM 0 HA ALA A 112 121.484 -9.081 -0.772 1.00 0.94 H new ATOM 0 HB1 ALA A 112 122.277 -8.050 -2.886 1.00 0.91 H new ATOM 0 HB2 ALA A 112 121.390 -6.869 -1.892 1.00 0.91 H new ATOM 0 HB3 ALA A 112 123.168 -6.824 -1.953 1.00 0.91 H new ATOM 1799 N TYR A 113 123.615 -10.274 -1.720 1.00 1.16 N ATOM 1800 CA TYR A 113 124.813 -11.148 -1.868 1.00 1.29 C ATOM 1801 C TYR A 113 126.076 -10.285 -1.899 1.00 1.25 C ATOM 1802 O TYR A 113 126.071 -9.177 -2.397 1.00 1.24 O ATOM 1803 CB TYR A 113 124.707 -11.938 -3.175 1.00 1.44 C ATOM 1804 CG TYR A 113 124.394 -13.383 -2.871 1.00 1.74 C ATOM 1805 CD1 TYR A 113 123.064 -13.795 -2.721 1.00 2.34 C ATOM 1806 CD2 TYR A 113 125.433 -14.313 -2.742 1.00 2.15 C ATOM 1807 CE1 TYR A 113 122.773 -15.136 -2.442 1.00 2.87 C ATOM 1808 CE2 TYR A 113 125.142 -15.653 -2.462 1.00 2.59 C ATOM 1809 CZ TYR A 113 123.813 -16.065 -2.312 1.00 2.81 C ATOM 1810 OH TYR A 113 123.526 -17.387 -2.037 1.00 3.43 O ATOM 0 H TYR A 113 122.828 -10.513 -2.323 1.00 1.16 H new ATOM 0 HA TYR A 113 124.865 -11.838 -1.026 1.00 1.29 H new ATOM 0 HB2 TYR A 113 123.928 -11.512 -3.807 1.00 1.44 H new ATOM 0 HB3 TYR A 113 125.642 -11.867 -3.731 1.00 1.44 H new ATOM 0 HD1 TYR A 113 122.262 -13.078 -2.821 1.00 2.34 H new ATOM 0 HD2 TYR A 113 126.459 -13.996 -2.859 1.00 2.15 H new ATOM 0 HE1 TYR A 113 121.747 -15.454 -2.327 1.00 2.87 H new ATOM 0 HE2 TYR A 113 125.944 -16.370 -2.362 1.00 2.59 H new ATOM 0 HH TYR A 113 124.360 -17.898 -1.980 1.00 3.43 H new ATOM 1820 N VAL A 114 127.159 -10.787 -1.372 1.00 1.35 N ATOM 1821 CA VAL A 114 128.423 -9.998 -1.375 1.00 1.37 C ATOM 1822 C VAL A 114 129.337 -10.514 -2.488 1.00 1.47 C ATOM 1823 O VAL A 114 129.728 -11.664 -2.498 1.00 1.64 O ATOM 1824 CB VAL A 114 129.126 -10.154 -0.025 1.00 1.60 C ATOM 1825 CG1 VAL A 114 130.488 -9.460 -0.075 1.00 1.71 C ATOM 1826 CG2 VAL A 114 128.268 -9.516 1.070 1.00 1.68 C ATOM 0 H VAL A 114 127.223 -11.709 -0.940 1.00 1.35 H new ATOM 0 HA VAL A 114 128.196 -8.946 -1.545 1.00 1.37 H new ATOM 0 HB VAL A 114 129.267 -11.213 0.192 1.00 1.60 H new ATOM 0 HG11 VAL A 114 130.989 -9.571 0.887 1.00 1.71 H new ATOM 0 HG12 VAL A 114 131.099 -9.913 -0.856 1.00 1.71 H new ATOM 0 HG13 VAL A 114 130.349 -8.401 -0.291 1.00 1.71 H new ATOM 0 HG21 VAL A 114 128.767 -9.626 2.033 1.00 1.68 H new ATOM 0 HG22 VAL A 114 128.128 -8.457 0.852 1.00 1.68 H new ATOM 0 HG23 VAL A 114 127.297 -10.010 1.106 1.00 1.68 H new ATOM 1836 N TYR A 115 129.679 -9.675 -3.427 1.00 1.46 N ATOM 1837 CA TYR A 115 130.564 -10.125 -4.537 1.00 1.64 C ATOM 1838 C TYR A 115 131.723 -9.140 -4.703 1.00 1.61 C ATOM 1839 O TYR A 115 131.527 -7.977 -4.995 1.00 1.63 O ATOM 1840 CB TYR A 115 129.758 -10.191 -5.836 1.00 1.77 C ATOM 1841 CG TYR A 115 128.968 -11.477 -5.872 1.00 1.90 C ATOM 1842 CD1 TYR A 115 129.620 -12.693 -6.112 1.00 2.55 C ATOM 1843 CD2 TYR A 115 127.583 -11.455 -5.662 1.00 2.02 C ATOM 1844 CE1 TYR A 115 128.888 -13.886 -6.143 1.00 2.76 C ATOM 1845 CE2 TYR A 115 126.851 -12.649 -5.693 1.00 2.12 C ATOM 1846 CZ TYR A 115 127.504 -13.864 -5.933 1.00 2.26 C ATOM 1847 OH TYR A 115 126.783 -15.040 -5.963 1.00 2.49 O ATOM 0 H TYR A 115 129.384 -8.700 -3.473 1.00 1.46 H new ATOM 0 HA TYR A 115 130.962 -11.113 -4.305 1.00 1.64 H new ATOM 0 HB2 TYR A 115 129.085 -9.336 -5.903 1.00 1.77 H new ATOM 0 HB3 TYR A 115 130.427 -10.138 -6.695 1.00 1.77 H new ATOM 0 HD1 TYR A 115 130.688 -12.710 -6.273 1.00 2.55 H new ATOM 0 HD2 TYR A 115 127.080 -10.518 -5.476 1.00 2.02 H new ATOM 0 HE1 TYR A 115 129.391 -14.823 -6.329 1.00 2.76 H new ATOM 0 HE2 TYR A 115 125.783 -12.632 -5.532 1.00 2.12 H new ATOM 0 HH TYR A 115 126.290 -15.143 -5.122 1.00 2.49 H new ATOM 1857 N LYS A 116 132.930 -9.600 -4.521 1.00 1.64 N ATOM 1858 CA LYS A 116 134.107 -8.698 -4.669 1.00 1.65 C ATOM 1859 C LYS A 116 134.106 -8.087 -6.073 1.00 1.64 C ATOM 1860 O LYS A 116 133.516 -8.634 -6.984 1.00 1.69 O ATOM 1861 CB LYS A 116 135.389 -9.510 -4.461 1.00 1.82 C ATOM 1862 CG LYS A 116 135.213 -10.440 -3.259 1.00 1.87 C ATOM 1863 CD LYS A 116 136.574 -10.703 -2.612 1.00 2.23 C ATOM 1864 CE LYS A 116 136.457 -10.544 -1.095 1.00 2.84 C ATOM 1865 NZ LYS A 116 137.722 -9.969 -0.558 1.00 3.30 N ATOM 0 H LYS A 116 133.153 -10.565 -4.275 1.00 1.64 H new ATOM 0 HA LYS A 116 134.057 -7.899 -3.929 1.00 1.65 H new ATOM 0 HB2 LYS A 116 135.613 -10.092 -5.355 1.00 1.82 H new ATOM 0 HB3 LYS A 116 136.234 -8.841 -4.296 1.00 1.82 H new ATOM 0 HG2 LYS A 116 134.535 -9.990 -2.534 1.00 1.87 H new ATOM 0 HG3 LYS A 116 134.762 -11.380 -3.576 1.00 1.87 H new ATOM 0 HD2 LYS A 116 136.917 -11.708 -2.858 1.00 2.23 H new ATOM 0 HD3 LYS A 116 137.316 -10.008 -3.005 1.00 2.23 H new ATOM 0 HE2 LYS A 116 135.617 -9.894 -0.850 1.00 2.84 H new ATOM 0 HE3 LYS A 116 136.258 -11.510 -0.631 1.00 2.84 H new ATOM 0 HZ1 LYS A 116 137.644 -9.860 0.473 1.00 3.30 H new ATOM 0 HZ2 LYS A 116 138.514 -10.605 -0.780 1.00 3.30 H new ATOM 0 HZ3 LYS A 116 137.892 -9.039 -0.992 1.00 3.30 H new ATOM 1879 N PRO A 117 134.768 -6.967 -6.203 1.00 1.60 N ATOM 1880 CA PRO A 117 135.491 -6.296 -5.089 1.00 1.58 C ATOM 1881 C PRO A 117 134.520 -5.476 -4.235 1.00 1.47 C ATOM 1882 O PRO A 117 134.867 -4.994 -3.175 1.00 1.52 O ATOM 1883 CB PRO A 117 136.482 -5.387 -5.811 1.00 1.62 C ATOM 1884 CG PRO A 117 135.885 -5.104 -7.194 1.00 1.62 C ATOM 1885 CD PRO A 117 134.880 -6.226 -7.489 1.00 1.63 C ATOM 0 HA PRO A 117 135.975 -6.995 -4.407 1.00 1.58 H new ATOM 0 HB2 PRO A 117 136.633 -4.461 -5.257 1.00 1.62 H new ATOM 0 HB3 PRO A 117 137.456 -5.868 -5.900 1.00 1.62 H new ATOM 0 HG2 PRO A 117 135.393 -4.132 -7.209 1.00 1.62 H new ATOM 0 HG3 PRO A 117 136.667 -5.078 -7.953 1.00 1.62 H new ATOM 0 HD2 PRO A 117 133.916 -5.825 -7.802 1.00 1.63 H new ATOM 0 HD3 PRO A 117 135.231 -6.874 -8.292 1.00 1.63 H new ATOM 1893 N ASN A 118 133.307 -5.313 -4.688 1.00 1.38 N ATOM 1894 CA ASN A 118 132.319 -4.523 -3.902 1.00 1.31 C ATOM 1895 C ASN A 118 132.208 -5.102 -2.490 1.00 1.36 C ATOM 1896 O ASN A 118 131.459 -6.027 -2.245 1.00 1.46 O ATOM 1897 CB ASN A 118 130.953 -4.583 -4.589 1.00 1.32 C ATOM 1898 CG ASN A 118 130.784 -3.363 -5.495 1.00 1.28 C ATOM 1899 OD1 ASN A 118 130.802 -2.240 -5.032 1.00 1.32 O ATOM 1900 ND2 ASN A 118 130.621 -3.537 -6.778 1.00 1.32 N ATOM 0 H ASN A 118 132.958 -5.693 -5.568 1.00 1.38 H new ATOM 0 HA ASN A 118 132.649 -3.486 -3.843 1.00 1.31 H new ATOM 0 HB2 ASN A 118 130.868 -5.499 -5.174 1.00 1.32 H new ATOM 0 HB3 ASN A 118 130.159 -4.608 -3.842 1.00 1.32 H new ATOM 0 HD21 ASN A 118 130.509 -2.730 -7.392 1.00 1.32 H new ATOM 0 HD22 ASN A 118 130.606 -4.480 -7.167 1.00 1.32 H new ATOM 1907 N ASN A 119 132.948 -4.565 -1.559 1.00 1.35 N ATOM 1908 CA ASN A 119 132.887 -5.083 -0.165 1.00 1.44 C ATOM 1909 C ASN A 119 133.429 -4.022 0.796 1.00 1.37 C ATOM 1910 O ASN A 119 134.079 -4.330 1.775 1.00 1.50 O ATOM 1911 CB ASN A 119 133.736 -6.351 -0.057 1.00 1.72 C ATOM 1912 CG ASN A 119 132.872 -7.503 0.459 1.00 1.59 C ATOM 1913 OD1 ASN A 119 131.782 -7.286 0.952 1.00 2.10 O ATOM 1914 ND2 ASN A 119 133.314 -8.727 0.366 1.00 1.70 N ATOM 0 H ASN A 119 133.593 -3.788 -1.705 1.00 1.35 H new ATOM 0 HA ASN A 119 131.854 -5.314 0.094 1.00 1.44 H new ATOM 0 HB2 ASN A 119 134.155 -6.605 -1.031 1.00 1.72 H new ATOM 0 HB3 ASN A 119 134.576 -6.182 0.617 1.00 1.72 H new ATOM 0 HD21 ASN A 119 132.745 -9.502 0.707 1.00 1.70 H new ATOM 0 HD22 ASN A 119 134.228 -8.909 -0.048 1.00 1.70 H new ATOM 1921 N THR A 120 133.169 -2.772 0.522 1.00 1.25 N ATOM 1922 CA THR A 120 133.670 -1.691 1.418 1.00 1.27 C ATOM 1923 C THR A 120 132.823 -1.647 2.689 1.00 1.20 C ATOM 1924 O THR A 120 133.271 -2.004 3.761 1.00 1.28 O ATOM 1925 CB THR A 120 133.578 -0.344 0.696 1.00 1.28 C ATOM 1926 OG1 THR A 120 133.941 -0.515 -0.668 1.00 1.96 O ATOM 1927 CG2 THR A 120 134.526 0.658 1.357 1.00 1.57 C ATOM 0 H THR A 120 132.631 -2.453 -0.284 1.00 1.25 H new ATOM 0 HA THR A 120 134.709 -1.891 1.681 1.00 1.27 H new ATOM 0 HB THR A 120 132.557 0.033 0.757 1.00 1.28 H new ATOM 0 HG1 THR A 120 133.915 0.352 -1.124 1.00 1.96 H new ATOM 0 HG21 THR A 120 134.459 1.616 0.842 1.00 1.57 H new ATOM 0 HG22 THR A 120 134.247 0.788 2.403 1.00 1.57 H new ATOM 0 HG23 THR A 120 135.548 0.285 1.298 1.00 1.57 H new ATOM 1935 N HIS A 121 131.601 -1.209 2.578 1.00 1.12 N ATOM 1936 CA HIS A 121 130.721 -1.139 3.778 1.00 1.08 C ATOM 1937 C HIS A 121 130.034 -2.490 3.989 1.00 1.05 C ATOM 1938 O HIS A 121 128.829 -2.571 4.122 1.00 0.99 O ATOM 1939 CB HIS A 121 129.660 -0.055 3.569 1.00 1.05 C ATOM 1940 CG HIS A 121 130.300 1.301 3.688 1.00 1.10 C ATOM 1941 ND1 HIS A 121 130.326 2.004 4.882 1.00 1.37 N ATOM 1942 CD2 HIS A 121 130.943 2.095 2.771 1.00 1.19 C ATOM 1943 CE1 HIS A 121 130.964 3.167 4.654 1.00 1.41 C ATOM 1944 NE2 HIS A 121 131.361 3.273 3.383 1.00 1.26 N ATOM 0 H HIS A 121 131.172 -0.896 1.707 1.00 1.12 H new ATOM 0 HA HIS A 121 131.322 -0.897 4.655 1.00 1.08 H new ATOM 0 HB2 HIS A 121 129.199 -0.167 2.588 1.00 1.05 H new ATOM 0 HB3 HIS A 121 128.866 -0.161 4.308 1.00 1.05 H new ATOM 0 HD2 HIS A 121 131.101 1.844 1.733 1.00 1.19 H new ATOM 0 HE1 HIS A 121 131.134 3.922 5.407 1.00 1.41 H new ATOM 0 HE2 HIS A 121 131.863 4.050 2.953 1.00 1.26 H new ATOM 1952 N GLU A 122 130.791 -3.553 4.023 1.00 1.16 N ATOM 1953 CA GLU A 122 130.180 -4.896 4.227 1.00 1.19 C ATOM 1954 C GLU A 122 130.069 -5.183 5.726 1.00 1.22 C ATOM 1955 O GLU A 122 128.987 -5.310 6.265 1.00 1.19 O ATOM 1956 CB GLU A 122 131.058 -5.961 3.566 1.00 1.32 C ATOM 1957 CG GLU A 122 130.276 -7.271 3.457 1.00 1.33 C ATOM 1958 CD GLU A 122 130.387 -8.045 4.771 1.00 1.74 C ATOM 1959 OE1 GLU A 122 131.436 -8.621 5.010 1.00 2.16 O ATOM 1960 OE2 GLU A 122 129.422 -8.049 5.518 1.00 2.39 O ATOM 0 H GLU A 122 131.806 -3.549 3.918 1.00 1.16 H new ATOM 0 HA GLU A 122 129.186 -4.916 3.779 1.00 1.19 H new ATOM 0 HB2 GLU A 122 131.369 -5.628 2.576 1.00 1.32 H new ATOM 0 HB3 GLU A 122 131.965 -6.114 4.151 1.00 1.32 H new ATOM 0 HG2 GLU A 122 129.230 -7.064 3.232 1.00 1.33 H new ATOM 0 HG3 GLU A 122 130.666 -7.872 2.635 1.00 1.33 H new ATOM 1967 N GLN A 123 131.179 -5.286 6.403 1.00 1.32 N ATOM 1968 CA GLN A 123 131.136 -5.564 7.866 1.00 1.39 C ATOM 1969 C GLN A 123 130.165 -4.593 8.541 1.00 1.30 C ATOM 1970 O GLN A 123 129.485 -4.936 9.487 1.00 1.34 O ATOM 1971 CB GLN A 123 132.535 -5.382 8.460 1.00 1.51 C ATOM 1972 CG GLN A 123 133.397 -6.598 8.119 1.00 1.63 C ATOM 1973 CD GLN A 123 134.446 -6.205 7.078 1.00 2.01 C ATOM 1974 OE1 GLN A 123 134.144 -6.088 5.907 1.00 2.52 O ATOM 1975 NE2 GLN A 123 135.676 -5.992 7.458 1.00 2.63 N ATOM 0 H GLN A 123 132.114 -5.190 6.007 1.00 1.32 H new ATOM 0 HA GLN A 123 130.800 -6.588 8.032 1.00 1.39 H new ATOM 0 HB2 GLN A 123 132.994 -4.476 8.065 1.00 1.51 H new ATOM 0 HB3 GLN A 123 132.470 -5.261 9.541 1.00 1.51 H new ATOM 0 HG2 GLN A 123 133.885 -6.975 9.018 1.00 1.63 H new ATOM 0 HG3 GLN A 123 132.772 -7.404 7.734 1.00 1.63 H new ATOM 0 HE21 GLN A 123 135.930 -6.090 8.441 1.00 2.63 H new ATOM 0 HE22 GLN A 123 136.383 -5.727 6.772 1.00 2.63 H new ATOM 1984 N LEU A 124 130.095 -3.382 8.060 1.00 1.21 N ATOM 1985 CA LEU A 124 129.168 -2.389 8.672 1.00 1.15 C ATOM 1986 C LEU A 124 127.723 -2.842 8.460 1.00 1.06 C ATOM 1987 O LEU A 124 126.895 -2.742 9.344 1.00 1.08 O ATOM 1988 CB LEU A 124 129.377 -1.024 8.014 1.00 1.11 C ATOM 1989 CG LEU A 124 128.403 -0.011 8.617 1.00 1.11 C ATOM 1990 CD1 LEU A 124 129.186 1.074 9.358 1.00 1.47 C ATOM 1991 CD2 LEU A 124 127.580 0.632 7.498 1.00 1.38 C ATOM 0 H LEU A 124 130.640 -3.037 7.270 1.00 1.21 H new ATOM 0 HA LEU A 124 129.371 -2.312 9.740 1.00 1.15 H new ATOM 0 HB2 LEU A 124 130.404 -0.690 8.163 1.00 1.11 H new ATOM 0 HB3 LEU A 124 129.220 -1.099 6.938 1.00 1.11 H new ATOM 0 HG LEU A 124 127.738 -0.519 9.315 1.00 1.11 H new ATOM 0 HD11 LEU A 124 128.491 1.795 9.787 1.00 1.47 H new ATOM 0 HD12 LEU A 124 129.774 0.618 10.155 1.00 1.47 H new ATOM 0 HD13 LEU A 124 129.852 1.582 8.661 1.00 1.47 H new ATOM 0 HD21 LEU A 124 126.885 1.354 7.926 1.00 1.38 H new ATOM 0 HD22 LEU A 124 128.247 1.139 6.801 1.00 1.38 H new ATOM 0 HD23 LEU A 124 127.021 -0.139 6.968 1.00 1.38 H new ATOM 2003 N LEU A 125 127.411 -3.340 7.295 1.00 0.99 N ATOM 2004 CA LEU A 125 126.019 -3.799 7.030 1.00 0.93 C ATOM 2005 C LEU A 125 125.730 -5.050 7.860 1.00 0.98 C ATOM 2006 O LEU A 125 124.595 -5.348 8.178 1.00 0.97 O ATOM 2007 CB LEU A 125 125.863 -4.125 5.543 1.00 0.89 C ATOM 2008 CG LEU A 125 125.587 -2.839 4.763 1.00 0.83 C ATOM 2009 CD1 LEU A 125 125.439 -3.165 3.276 1.00 0.85 C ATOM 2010 CD2 LEU A 125 124.295 -2.198 5.275 1.00 0.86 C ATOM 0 H LEU A 125 128.060 -3.449 6.516 1.00 0.99 H new ATOM 0 HA LEU A 125 125.318 -3.011 7.303 1.00 0.93 H new ATOM 0 HB2 LEU A 125 126.768 -4.603 5.168 1.00 0.89 H new ATOM 0 HB3 LEU A 125 125.046 -4.832 5.399 1.00 0.89 H new ATOM 0 HG LEU A 125 126.417 -2.146 4.902 1.00 0.83 H new ATOM 0 HD11 LEU A 125 125.242 -2.248 2.720 1.00 0.85 H new ATOM 0 HD12 LEU A 125 126.359 -3.621 2.910 1.00 0.85 H new ATOM 0 HD13 LEU A 125 124.610 -3.859 3.136 1.00 0.85 H new ATOM 0 HD21 LEU A 125 124.098 -1.281 4.719 1.00 0.86 H new ATOM 0 HD22 LEU A 125 123.465 -2.891 5.137 1.00 0.86 H new ATOM 0 HD23 LEU A 125 124.400 -1.964 6.334 1.00 0.86 H new ATOM 2022 N ARG A 126 126.748 -5.785 8.216 1.00 1.08 N ATOM 2023 CA ARG A 126 126.531 -7.015 9.027 1.00 1.15 C ATOM 2024 C ARG A 126 126.182 -6.622 10.464 1.00 1.16 C ATOM 2025 O ARG A 126 125.408 -7.282 11.128 1.00 1.17 O ATOM 2026 CB ARG A 126 127.807 -7.859 9.023 1.00 1.26 C ATOM 2027 CG ARG A 126 127.448 -9.325 8.774 1.00 1.45 C ATOM 2028 CD ARG A 126 127.765 -9.688 7.323 1.00 1.69 C ATOM 2029 NE ARG A 126 127.438 -11.122 7.085 1.00 2.25 N ATOM 2030 CZ ARG A 126 128.369 -12.029 7.194 1.00 2.85 C ATOM 2031 NH1 ARG A 126 129.305 -12.114 6.288 1.00 3.57 N ATOM 2032 NH2 ARG A 126 128.365 -12.851 8.208 1.00 3.27 N ATOM 0 H ARG A 126 127.720 -5.586 7.980 1.00 1.08 H new ATOM 0 HA ARG A 126 125.712 -7.594 8.600 1.00 1.15 H new ATOM 0 HB2 ARG A 126 128.488 -7.504 8.250 1.00 1.26 H new ATOM 0 HB3 ARG A 126 128.326 -7.757 9.976 1.00 1.26 H new ATOM 0 HG2 ARG A 126 128.009 -9.968 9.452 1.00 1.45 H new ATOM 0 HG3 ARG A 126 126.390 -9.491 8.979 1.00 1.45 H new ATOM 0 HD2 ARG A 126 127.191 -9.056 6.645 1.00 1.69 H new ATOM 0 HD3 ARG A 126 128.819 -9.505 7.113 1.00 1.69 H new ATOM 0 HE ARG A 126 126.487 -11.394 6.837 1.00 2.25 H new ATOM 0 HH11 ARG A 126 129.308 -11.471 5.496 1.00 3.57 H new ATOM 0 HH12 ARG A 126 130.034 -12.823 6.372 1.00 3.57 H new ATOM 0 HH21 ARG A 126 127.634 -12.784 8.916 1.00 3.27 H new ATOM 0 HH22 ARG A 126 129.093 -13.560 8.293 1.00 3.27 H new ATOM 2046 N LYS A 127 126.748 -5.551 10.950 1.00 1.18 N ATOM 2047 CA LYS A 127 126.447 -5.115 12.342 1.00 1.22 C ATOM 2048 C LYS A 127 125.018 -4.572 12.408 1.00 1.14 C ATOM 2049 O LYS A 127 124.272 -4.866 13.321 1.00 1.17 O ATOM 2050 CB LYS A 127 127.429 -4.016 12.755 1.00 1.28 C ATOM 2051 CG LYS A 127 128.446 -4.582 13.748 1.00 1.36 C ATOM 2052 CD LYS A 127 129.811 -3.932 13.507 1.00 1.94 C ATOM 2053 CE LYS A 127 130.329 -3.329 14.814 1.00 2.47 C ATOM 2054 NZ LYS A 127 131.412 -4.193 15.365 1.00 2.96 N ATOM 0 H LYS A 127 127.406 -4.959 10.443 1.00 1.18 H new ATOM 0 HA LYS A 127 126.545 -5.964 13.018 1.00 1.22 H new ATOM 0 HB2 LYS A 127 127.942 -3.624 11.877 1.00 1.28 H new ATOM 0 HB3 LYS A 127 126.890 -3.183 13.206 1.00 1.28 H new ATOM 0 HG2 LYS A 127 128.117 -4.393 14.770 1.00 1.36 H new ATOM 0 HG3 LYS A 127 128.521 -5.663 13.632 1.00 1.36 H new ATOM 0 HD2 LYS A 127 130.517 -4.673 13.131 1.00 1.94 H new ATOM 0 HD3 LYS A 127 129.727 -3.157 12.745 1.00 1.94 H new ATOM 0 HE2 LYS A 127 130.707 -2.322 14.638 1.00 2.47 H new ATOM 0 HE3 LYS A 127 129.516 -3.243 15.535 1.00 2.47 H new ATOM 0 HZ1 LYS A 127 131.765 -3.783 16.254 1.00 2.96 H new ATOM 0 HZ2 LYS A 127 131.037 -5.146 15.548 1.00 2.96 H new ATOM 0 HZ3 LYS A 127 132.191 -4.253 14.679 1.00 2.96 H new ATOM 2068 N SER A 128 124.630 -3.780 11.445 1.00 1.06 N ATOM 2069 CA SER A 128 123.251 -3.217 11.452 1.00 1.01 C ATOM 2070 C SER A 128 122.233 -4.351 11.311 1.00 0.98 C ATOM 2071 O SER A 128 121.209 -4.362 11.964 1.00 1.02 O ATOM 2072 CB SER A 128 123.092 -2.243 10.284 1.00 0.96 C ATOM 2073 OG SER A 128 123.469 -0.939 10.706 1.00 1.50 O ATOM 0 H SER A 128 125.209 -3.499 10.654 1.00 1.06 H new ATOM 0 HA SER A 128 123.080 -2.691 12.391 1.00 1.01 H new ATOM 0 HB2 SER A 128 123.711 -2.559 9.445 1.00 0.96 H new ATOM 0 HB3 SER A 128 122.059 -2.241 9.935 1.00 0.96 H new ATOM 0 HG SER A 128 124.381 -0.748 10.403 1.00 1.50 H new ATOM 2079 N GLU A 129 122.505 -5.305 10.462 1.00 0.98 N ATOM 2080 CA GLU A 129 121.549 -6.434 10.281 1.00 0.99 C ATOM 2081 C GLU A 129 121.415 -7.205 11.596 1.00 1.05 C ATOM 2082 O GLU A 129 120.350 -7.673 11.946 1.00 1.07 O ATOM 2083 CB GLU A 129 122.068 -7.374 9.189 1.00 1.02 C ATOM 2084 CG GLU A 129 121.180 -8.619 9.123 1.00 1.11 C ATOM 2085 CD GLU A 129 121.180 -9.173 7.697 1.00 1.58 C ATOM 2086 OE1 GLU A 129 122.242 -9.213 7.098 1.00 2.25 O ATOM 2087 OE2 GLU A 129 120.118 -9.549 7.229 1.00 2.14 O ATOM 0 H GLU A 129 123.346 -5.351 9.887 1.00 0.98 H new ATOM 0 HA GLU A 129 120.575 -6.041 9.989 1.00 0.99 H new ATOM 0 HB2 GLU A 129 122.070 -6.864 8.226 1.00 1.02 H new ATOM 0 HB3 GLU A 129 123.098 -7.660 9.400 1.00 1.02 H new ATOM 0 HG2 GLU A 129 121.544 -9.375 9.818 1.00 1.11 H new ATOM 0 HG3 GLU A 129 120.163 -8.370 9.427 1.00 1.11 H new ATOM 2094 N ALA A 130 122.487 -7.340 12.328 1.00 1.15 N ATOM 2095 CA ALA A 130 122.419 -8.082 13.618 1.00 1.23 C ATOM 2096 C ALA A 130 121.609 -7.271 14.633 1.00 1.23 C ATOM 2097 O ALA A 130 120.897 -7.818 15.451 1.00 1.30 O ATOM 2098 CB ALA A 130 123.834 -8.304 14.155 1.00 1.32 C ATOM 0 H ALA A 130 123.406 -6.969 12.088 1.00 1.15 H new ATOM 0 HA ALA A 130 121.937 -9.046 13.456 1.00 1.23 H new ATOM 0 HB1 ALA A 130 123.784 -8.847 15.099 1.00 1.32 H new ATOM 0 HB2 ALA A 130 124.410 -8.883 13.433 1.00 1.32 H new ATOM 0 HB3 ALA A 130 124.317 -7.340 14.316 1.00 1.32 H new ATOM 2104 N GLN A 131 121.712 -5.970 14.588 1.00 1.18 N ATOM 2105 CA GLN A 131 120.947 -5.128 15.551 1.00 1.20 C ATOM 2106 C GLN A 131 119.449 -5.297 15.295 1.00 1.16 C ATOM 2107 O GLN A 131 118.677 -5.541 16.201 1.00 1.22 O ATOM 2108 CB GLN A 131 121.334 -3.660 15.369 1.00 1.20 C ATOM 2109 CG GLN A 131 121.503 -3.005 16.742 1.00 1.49 C ATOM 2110 CD GLN A 131 120.219 -2.263 17.117 1.00 1.82 C ATOM 2111 OE1 GLN A 131 119.614 -2.546 18.132 1.00 2.43 O ATOM 2112 NE2 GLN A 131 119.773 -1.318 16.335 1.00 2.30 N ATOM 0 H GLN A 131 122.292 -5.455 13.926 1.00 1.18 H new ATOM 0 HA GLN A 131 121.180 -5.439 16.569 1.00 1.20 H new ATOM 0 HB2 GLN A 131 122.261 -3.585 14.801 1.00 1.20 H new ATOM 0 HB3 GLN A 131 120.567 -3.138 14.797 1.00 1.20 H new ATOM 0 HG2 GLN A 131 121.730 -3.762 17.492 1.00 1.49 H new ATOM 0 HG3 GLN A 131 122.344 -2.312 16.725 1.00 1.49 H new ATOM 0 HE21 GLN A 131 120.280 -1.080 15.483 1.00 2.30 H new ATOM 0 HE22 GLN A 131 118.917 -0.818 16.576 1.00 2.30 H new ATOM 2121 N ALA A 132 119.031 -5.173 14.065 1.00 1.07 N ATOM 2122 CA ALA A 132 117.585 -5.332 13.754 1.00 1.05 C ATOM 2123 C ALA A 132 117.130 -6.718 14.208 1.00 1.10 C ATOM 2124 O ALA A 132 116.051 -6.888 14.742 1.00 1.16 O ATOM 2125 CB ALA A 132 117.371 -5.187 12.246 1.00 0.99 C ATOM 0 H ALA A 132 119.628 -4.969 13.264 1.00 1.07 H new ATOM 0 HA ALA A 132 117.006 -4.568 14.273 1.00 1.05 H new ATOM 0 HB1 ALA A 132 116.312 -5.303 12.016 1.00 0.99 H new ATOM 0 HB2 ALA A 132 117.706 -4.201 11.924 1.00 0.99 H new ATOM 0 HB3 ALA A 132 117.942 -5.953 11.722 1.00 0.99 H new ATOM 2131 N LYS A 133 117.952 -7.711 14.005 1.00 1.13 N ATOM 2132 CA LYS A 133 117.579 -9.088 14.430 1.00 1.21 C ATOM 2133 C LYS A 133 117.650 -9.179 15.955 1.00 1.30 C ATOM 2134 O LYS A 133 117.033 -10.029 16.567 1.00 1.40 O ATOM 2135 CB LYS A 133 118.555 -10.094 13.814 1.00 1.26 C ATOM 2136 CG LYS A 133 118.361 -10.132 12.297 1.00 1.39 C ATOM 2137 CD LYS A 133 118.225 -11.585 11.837 1.00 1.54 C ATOM 2138 CE LYS A 133 119.392 -11.941 10.914 1.00 2.04 C ATOM 2139 NZ LYS A 133 120.155 -13.080 11.496 1.00 2.30 N ATOM 0 H LYS A 133 118.867 -7.627 13.562 1.00 1.13 H new ATOM 0 HA LYS A 133 116.567 -9.314 14.095 1.00 1.21 H new ATOM 0 HB2 LYS A 133 119.581 -9.814 14.053 1.00 1.26 H new ATOM 0 HB3 LYS A 133 118.388 -11.084 14.237 1.00 1.26 H new ATOM 0 HG2 LYS A 133 117.472 -9.566 12.019 1.00 1.39 H new ATOM 0 HG3 LYS A 133 119.208 -9.659 11.799 1.00 1.39 H new ATOM 0 HD2 LYS A 133 118.214 -12.251 12.700 1.00 1.54 H new ATOM 0 HD3 LYS A 133 117.279 -11.725 11.314 1.00 1.54 H new ATOM 0 HE2 LYS A 133 119.019 -12.207 9.925 1.00 2.04 H new ATOM 0 HE3 LYS A 133 120.046 -11.078 10.787 1.00 2.04 H new ATOM 0 HZ1 LYS A 133 120.949 -13.323 10.869 1.00 2.30 H new ATOM 0 HZ2 LYS A 133 120.522 -12.810 12.431 1.00 2.30 H new ATOM 0 HZ3 LYS A 133 119.528 -13.904 11.595 1.00 2.30 H new ATOM 2153 N LYS A 134 118.400 -8.309 16.574 1.00 1.28 N ATOM 2154 CA LYS A 134 118.514 -8.344 18.058 1.00 1.38 C ATOM 2155 C LYS A 134 117.377 -7.530 18.677 1.00 1.38 C ATOM 2156 O LYS A 134 117.132 -7.595 19.865 1.00 1.47 O ATOM 2157 CB LYS A 134 119.856 -7.744 18.482 1.00 1.42 C ATOM 2158 CG LYS A 134 120.038 -7.919 19.990 1.00 1.60 C ATOM 2159 CD LYS A 134 120.076 -9.410 20.328 1.00 1.84 C ATOM 2160 CE LYS A 134 121.292 -9.703 21.209 1.00 2.49 C ATOM 2161 NZ LYS A 134 121.006 -9.279 22.609 1.00 2.96 N ATOM 0 H LYS A 134 118.939 -7.575 16.115 1.00 1.28 H new ATOM 0 HA LYS A 134 118.452 -9.377 18.401 1.00 1.38 H new ATOM 0 HB2 LYS A 134 120.670 -8.233 17.947 1.00 1.42 H new ATOM 0 HB3 LYS A 134 119.893 -6.686 18.221 1.00 1.42 H new ATOM 0 HG2 LYS A 134 120.961 -7.438 20.314 1.00 1.60 H new ATOM 0 HG3 LYS A 134 119.221 -7.434 20.525 1.00 1.60 H new ATOM 0 HD2 LYS A 134 119.161 -9.700 20.845 1.00 1.84 H new ATOM 0 HD3 LYS A 134 120.126 -10.000 19.413 1.00 1.84 H new ATOM 0 HE2 LYS A 134 121.527 -10.767 21.181 1.00 2.49 H new ATOM 0 HE3 LYS A 134 122.166 -9.174 20.829 1.00 2.49 H new ATOM 0 HZ1 LYS A 134 121.833 -9.478 23.208 1.00 2.96 H new ATOM 0 HZ2 LYS A 134 120.802 -8.259 22.628 1.00 2.96 H new ATOM 0 HZ3 LYS A 134 120.183 -9.803 22.969 1.00 2.96 H new ATOM 2175 N GLU A 135 116.681 -6.763 17.883 1.00 1.32 N ATOM 2176 CA GLU A 135 115.563 -5.948 18.432 1.00 1.34 C ATOM 2177 C GLU A 135 114.230 -6.537 17.970 1.00 1.34 C ATOM 2178 O GLU A 135 113.177 -6.151 18.436 1.00 1.40 O ATOM 2179 CB GLU A 135 115.687 -4.507 17.931 1.00 1.30 C ATOM 2180 CG GLU A 135 116.791 -3.787 18.710 1.00 1.38 C ATOM 2181 CD GLU A 135 116.326 -2.373 19.067 1.00 1.59 C ATOM 2182 OE1 GLU A 135 115.374 -1.912 18.460 1.00 2.14 O ATOM 2183 OE2 GLU A 135 116.931 -1.776 19.942 1.00 1.97 O ATOM 0 H GLU A 135 116.839 -6.666 16.880 1.00 1.32 H new ATOM 0 HA GLU A 135 115.606 -5.957 19.521 1.00 1.34 H new ATOM 0 HB2 GLU A 135 115.916 -4.500 16.865 1.00 1.30 H new ATOM 0 HB3 GLU A 135 114.739 -3.984 18.057 1.00 1.30 H new ATOM 0 HG2 GLU A 135 117.032 -4.342 19.617 1.00 1.38 H new ATOM 0 HG3 GLU A 135 117.702 -3.742 18.113 1.00 1.38 H new ATOM 2190 N LYS A 136 114.264 -7.464 17.050 1.00 1.30 N ATOM 2191 CA LYS A 136 112.992 -8.063 16.559 1.00 1.33 C ATOM 2192 C LYS A 136 112.195 -6.971 15.851 1.00 1.30 C ATOM 2193 O LYS A 136 111.065 -6.685 16.193 1.00 1.37 O ATOM 2194 CB LYS A 136 112.187 -8.607 17.744 1.00 1.45 C ATOM 2195 CG LYS A 136 113.116 -9.371 18.692 1.00 1.48 C ATOM 2196 CD LYS A 136 112.769 -9.019 20.140 1.00 1.81 C ATOM 2197 CE LYS A 136 113.084 -10.212 21.046 1.00 2.10 C ATOM 2198 NZ LYS A 136 113.804 -9.736 22.261 1.00 2.61 N ATOM 0 H LYS A 136 115.113 -7.830 16.620 1.00 1.30 H new ATOM 0 HA LYS A 136 113.200 -8.883 15.872 1.00 1.33 H new ATOM 0 HB2 LYS A 136 111.704 -7.787 18.275 1.00 1.45 H new ATOM 0 HB3 LYS A 136 111.395 -9.265 17.387 1.00 1.45 H new ATOM 0 HG2 LYS A 136 113.013 -10.444 18.533 1.00 1.48 H new ATOM 0 HG3 LYS A 136 114.155 -9.116 18.484 1.00 1.48 H new ATOM 0 HD2 LYS A 136 113.338 -8.146 20.459 1.00 1.81 H new ATOM 0 HD3 LYS A 136 111.714 -8.758 20.219 1.00 1.81 H new ATOM 0 HE2 LYS A 136 112.162 -10.719 21.332 1.00 2.10 H new ATOM 0 HE3 LYS A 136 113.694 -10.939 20.510 1.00 2.10 H new ATOM 0 HZ1 LYS A 136 114.018 -10.546 22.877 1.00 2.61 H new ATOM 0 HZ2 LYS A 136 114.691 -9.271 21.979 1.00 2.61 H new ATOM 0 HZ3 LYS A 136 113.206 -9.058 22.776 1.00 2.61 H new ATOM 2212 N LEU A 137 112.795 -6.340 14.880 1.00 1.22 N ATOM 2213 CA LEU A 137 112.098 -5.240 14.159 1.00 1.23 C ATOM 2214 C LEU A 137 111.410 -5.762 12.893 1.00 1.18 C ATOM 2215 O LEU A 137 112.039 -6.299 12.003 1.00 1.17 O ATOM 2216 CB LEU A 137 113.125 -4.172 13.775 1.00 1.26 C ATOM 2217 CG LEU A 137 113.426 -3.292 14.988 1.00 1.32 C ATOM 2218 CD1 LEU A 137 114.695 -2.478 14.727 1.00 1.48 C ATOM 2219 CD2 LEU A 137 112.253 -2.340 15.231 1.00 1.72 C ATOM 0 H LEU A 137 113.741 -6.540 14.554 1.00 1.22 H new ATOM 0 HA LEU A 137 111.335 -4.818 14.814 1.00 1.23 H new ATOM 0 HB2 LEU A 137 114.041 -4.644 13.419 1.00 1.26 H new ATOM 0 HB3 LEU A 137 112.742 -3.562 12.957 1.00 1.26 H new ATOM 0 HG LEU A 137 113.572 -3.922 15.865 1.00 1.32 H new ATOM 0 HD11 LEU A 137 114.909 -1.851 15.592 1.00 1.48 H new ATOM 0 HD12 LEU A 137 115.532 -3.154 14.553 1.00 1.48 H new ATOM 0 HD13 LEU A 137 114.549 -1.848 13.849 1.00 1.48 H new ATOM 0 HD21 LEU A 137 112.467 -1.712 16.096 1.00 1.72 H new ATOM 0 HD22 LEU A 137 112.107 -1.711 14.353 1.00 1.72 H new ATOM 0 HD23 LEU A 137 111.348 -2.918 15.417 1.00 1.72 H new ATOM 2231 N ASN A 138 110.120 -5.576 12.804 1.00 1.18 N ATOM 2232 CA ASN A 138 109.362 -6.019 11.596 1.00 1.18 C ATOM 2233 C ASN A 138 109.561 -7.521 11.330 1.00 1.22 C ATOM 2234 O ASN A 138 108.979 -8.356 11.993 1.00 1.32 O ATOM 2235 CB ASN A 138 109.830 -5.207 10.385 1.00 1.12 C ATOM 2236 CG ASN A 138 109.363 -3.758 10.530 1.00 1.18 C ATOM 2237 OD1 ASN A 138 108.412 -3.347 9.895 1.00 1.45 O ATOM 2238 ND2 ASN A 138 109.997 -2.959 11.345 1.00 1.14 N ATOM 0 H ASN A 138 109.552 -5.131 13.525 1.00 1.18 H new ATOM 0 HA ASN A 138 108.299 -5.850 11.771 1.00 1.18 H new ATOM 0 HB2 ASN A 138 110.917 -5.244 10.307 1.00 1.12 H new ATOM 0 HB3 ASN A 138 109.430 -5.639 9.468 1.00 1.12 H new ATOM 0 HD21 ASN A 138 109.694 -1.991 11.448 1.00 1.14 H new ATOM 0 HD22 ASN A 138 110.795 -3.303 11.878 1.00 1.14 H new ATOM 2245 N ILE A 139 110.352 -7.872 10.345 1.00 1.17 N ATOM 2246 CA ILE A 139 110.554 -9.315 10.019 1.00 1.25 C ATOM 2247 C ILE A 139 111.213 -10.049 11.188 1.00 1.27 C ATOM 2248 O ILE A 139 110.927 -11.201 11.445 1.00 1.37 O ATOM 2249 CB ILE A 139 111.446 -9.439 8.782 1.00 1.24 C ATOM 2250 CG1 ILE A 139 112.519 -8.350 8.811 1.00 1.14 C ATOM 2251 CG2 ILE A 139 110.597 -9.286 7.519 1.00 1.44 C ATOM 2252 CD1 ILE A 139 113.679 -8.749 7.896 1.00 1.23 C ATOM 0 H ILE A 139 110.866 -7.219 9.753 1.00 1.17 H new ATOM 0 HA ILE A 139 109.580 -9.765 9.826 1.00 1.25 H new ATOM 0 HB ILE A 139 111.924 -10.418 8.780 1.00 1.24 H new ATOM 0 HG12 ILE A 139 112.096 -7.400 8.486 1.00 1.14 H new ATOM 0 HG13 ILE A 139 112.879 -8.207 9.830 1.00 1.14 H new ATOM 0 HG21 ILE A 139 111.234 -9.375 6.639 1.00 1.44 H new ATOM 0 HG22 ILE A 139 109.836 -10.066 7.496 1.00 1.44 H new ATOM 0 HG23 ILE A 139 110.115 -8.308 7.521 1.00 1.44 H new ATOM 0 HD11 ILE A 139 114.443 -7.972 7.917 1.00 1.23 H new ATOM 0 HD12 ILE A 139 114.108 -9.690 8.241 1.00 1.23 H new ATOM 0 HD13 ILE A 139 113.313 -8.870 6.876 1.00 1.23 H new ATOM 2264 N TRP A 140 112.104 -9.406 11.889 1.00 1.23 N ATOM 2265 CA TRP A 140 112.785 -10.090 13.026 1.00 1.29 C ATOM 2266 C TRP A 140 111.826 -10.227 14.212 1.00 1.35 C ATOM 2267 O TRP A 140 112.182 -10.754 15.248 1.00 1.39 O ATOM 2268 CB TRP A 140 114.010 -9.278 13.442 1.00 1.25 C ATOM 2269 CG TRP A 140 114.840 -8.985 12.233 1.00 1.19 C ATOM 2270 CD1 TRP A 140 115.369 -7.779 11.927 1.00 1.11 C ATOM 2271 CD2 TRP A 140 115.239 -9.891 11.163 1.00 1.25 C ATOM 2272 NE1 TRP A 140 116.071 -7.887 10.739 1.00 1.10 N ATOM 2273 CE2 TRP A 140 116.021 -9.170 10.230 1.00 1.19 C ATOM 2274 CE3 TRP A 140 115.003 -11.256 10.916 1.00 1.36 C ATOM 2275 CZ2 TRP A 140 116.548 -9.780 9.091 1.00 1.25 C ATOM 2276 CZ3 TRP A 140 115.532 -11.873 9.770 1.00 1.42 C ATOM 2277 CH2 TRP A 140 116.304 -11.137 8.860 1.00 1.37 C ATOM 0 H TRP A 140 112.390 -8.441 11.726 1.00 1.23 H new ATOM 0 HA TRP A 140 113.096 -11.086 12.711 1.00 1.29 H new ATOM 0 HB2 TRP A 140 113.700 -8.348 13.919 1.00 1.25 H new ATOM 0 HB3 TRP A 140 114.597 -9.832 14.175 1.00 1.25 H new ATOM 0 HD1 TRP A 140 115.261 -6.879 12.514 1.00 1.11 H new ATOM 0 HE1 TRP A 140 116.565 -7.114 10.294 1.00 1.10 H new ATOM 0 HE3 TRP A 140 114.412 -11.833 11.612 1.00 1.36 H new ATOM 0 HZ2 TRP A 140 117.140 -9.208 8.393 1.00 1.25 H new ATOM 0 HZ3 TRP A 140 115.343 -12.921 9.589 1.00 1.42 H new ATOM 0 HH2 TRP A 140 116.710 -11.618 7.982 1.00 1.37 H new ATOM 2288 N SER A 141 110.614 -9.767 14.073 1.00 1.40 N ATOM 2289 CA SER A 141 109.641 -9.884 15.196 1.00 1.49 C ATOM 2290 C SER A 141 108.788 -11.139 14.998 1.00 1.57 C ATOM 2291 O SER A 141 107.582 -11.067 14.865 1.00 1.76 O ATOM 2292 CB SER A 141 108.735 -8.652 15.222 1.00 1.53 C ATOM 2293 OG SER A 141 108.007 -8.632 16.443 1.00 1.86 O ATOM 0 H SER A 141 110.255 -9.316 13.232 1.00 1.40 H new ATOM 0 HA SER A 141 110.182 -9.954 16.139 1.00 1.49 H new ATOM 0 HB2 SER A 141 109.332 -7.745 15.126 1.00 1.53 H new ATOM 0 HB3 SER A 141 108.048 -8.673 14.376 1.00 1.53 H new ATOM 0 HG SER A 141 107.426 -7.843 16.465 1.00 1.86 H new ATOM 2299 N GLU A 142 109.404 -12.289 14.976 1.00 1.75 N ATOM 2300 CA GLU A 142 108.628 -13.547 14.785 1.00 1.83 C ATOM 2301 C GLU A 142 108.594 -14.329 16.099 1.00 1.69 C ATOM 2302 O GLU A 142 107.691 -15.102 16.350 1.00 1.86 O ATOM 2303 CB GLU A 142 109.294 -14.398 13.702 1.00 2.33 C ATOM 2304 CG GLU A 142 109.742 -13.499 12.549 1.00 3.06 C ATOM 2305 CD GLU A 142 110.164 -14.365 11.361 1.00 3.80 C ATOM 2306 OE1 GLU A 142 110.601 -15.480 11.593 1.00 4.40 O ATOM 2307 OE2 GLU A 142 110.043 -13.899 10.240 1.00 4.14 O ATOM 0 H GLU A 142 110.411 -12.412 15.082 1.00 1.75 H new ATOM 0 HA GLU A 142 107.610 -13.303 14.480 1.00 1.83 H new ATOM 0 HB2 GLU A 142 110.151 -14.928 14.117 1.00 2.33 H new ATOM 0 HB3 GLU A 142 108.597 -15.153 13.338 1.00 2.33 H new ATOM 0 HG2 GLU A 142 108.930 -12.833 12.257 1.00 3.06 H new ATOM 0 HG3 GLU A 142 110.573 -12.869 12.867 1.00 3.06 H new ATOM 2314 N ASP A 143 109.571 -14.133 16.940 1.00 1.87 N ATOM 2315 CA ASP A 143 109.596 -14.864 18.238 1.00 2.36 C ATOM 2316 C ASP A 143 108.289 -14.613 18.991 1.00 2.33 C ATOM 2317 O ASP A 143 107.890 -13.485 19.202 1.00 2.62 O ATOM 2318 CB ASP A 143 110.772 -14.364 19.080 1.00 3.16 C ATOM 2319 CG ASP A 143 111.953 -15.325 18.931 1.00 3.76 C ATOM 2320 OD1 ASP A 143 111.965 -16.329 19.624 1.00 4.39 O ATOM 2321 OD2 ASP A 143 112.825 -15.040 18.127 1.00 3.97 O ATOM 0 H ASP A 143 110.354 -13.498 16.785 1.00 1.87 H new ATOM 0 HA ASP A 143 109.708 -15.932 18.051 1.00 2.36 H new ATOM 0 HB2 ASP A 143 111.062 -13.363 18.761 1.00 3.16 H new ATOM 0 HB3 ASP A 143 110.478 -14.292 20.127 1.00 3.16 H new ATOM 2326 N ASN A 144 107.622 -15.654 19.406 1.00 2.56 N ATOM 2327 CA ASN A 144 106.346 -15.472 20.152 1.00 3.05 C ATOM 2328 C ASN A 144 106.628 -15.551 21.652 1.00 3.27 C ATOM 2329 O ASN A 144 106.268 -14.674 22.411 1.00 3.73 O ATOM 2330 CB ASN A 144 105.360 -16.575 19.761 1.00 3.60 C ATOM 2331 CG ASN A 144 103.929 -16.084 19.983 1.00 4.34 C ATOM 2332 OD1 ASN A 144 103.143 -16.740 20.638 1.00 4.73 O ATOM 2333 ND2 ASN A 144 103.554 -14.948 19.461 1.00 5.01 N ATOM 0 H ASN A 144 107.906 -16.623 19.261 1.00 2.56 H new ATOM 0 HA ASN A 144 105.915 -14.501 19.908 1.00 3.05 H new ATOM 0 HB2 ASN A 144 105.503 -16.851 18.716 1.00 3.60 H new ATOM 0 HB3 ASN A 144 105.545 -17.470 20.355 1.00 3.60 H new ATOM 0 HD21 ASN A 144 102.602 -14.611 19.603 1.00 5.01 H new ATOM 0 HD22 ASN A 144 104.213 -14.397 18.911 1.00 5.01 H new ATOM 2340 N ALA A 145 107.275 -16.599 22.081 1.00 3.61 N ATOM 2341 CA ALA A 145 107.590 -16.744 23.530 1.00 4.40 C ATOM 2342 C ALA A 145 108.966 -17.394 23.684 1.00 5.05 C ATOM 2343 O ALA A 145 109.827 -16.892 24.379 1.00 5.60 O ATOM 2344 CB ALA A 145 106.530 -17.625 24.195 1.00 4.85 C ATOM 0 H ALA A 145 107.600 -17.363 21.489 1.00 3.61 H new ATOM 0 HA ALA A 145 107.595 -15.763 24.005 1.00 4.40 H new ATOM 0 HB1 ALA A 145 106.759 -17.732 25.255 1.00 4.85 H new ATOM 0 HB2 ALA A 145 105.549 -17.163 24.080 1.00 4.85 H new ATOM 0 HB3 ALA A 145 106.526 -18.608 23.724 1.00 4.85 H new ATOM 2350 N ASP A 146 109.180 -18.507 23.039 1.00 5.38 N ATOM 2351 CA ASP A 146 110.500 -19.191 23.144 1.00 6.34 C ATOM 2352 C ASP A 146 110.964 -19.191 24.602 1.00 6.70 C ATOM 2353 O ASP A 146 112.122 -18.969 24.894 1.00 7.06 O ATOM 2354 CB ASP A 146 111.528 -18.452 22.284 1.00 7.04 C ATOM 2355 CG ASP A 146 111.491 -19.002 20.857 1.00 7.76 C ATOM 2356 OD1 ASP A 146 110.433 -19.448 20.443 1.00 8.18 O ATOM 2357 OD2 ASP A 146 112.519 -18.966 20.203 1.00 8.15 O ATOM 0 H ASP A 146 108.497 -18.974 22.443 1.00 5.38 H new ATOM 0 HA ASP A 146 110.403 -20.219 22.794 1.00 6.34 H new ATOM 0 HB2 ASP A 146 111.312 -17.384 22.279 1.00 7.04 H new ATOM 0 HB3 ASP A 146 112.526 -18.574 22.706 1.00 7.04 H new ATOM 2362 N SER A 147 110.071 -19.439 25.520 1.00 6.93 N ATOM 2363 CA SER A 147 110.468 -19.452 26.956 1.00 7.58 C ATOM 2364 C SER A 147 110.373 -20.879 27.500 1.00 7.92 C ATOM 2365 O SER A 147 109.527 -21.187 28.316 1.00 8.10 O ATOM 2366 CB SER A 147 109.536 -18.539 27.752 1.00 8.08 C ATOM 2367 OG SER A 147 110.289 -17.464 28.300 1.00 8.51 O ATOM 0 H SER A 147 109.086 -19.633 25.339 1.00 6.93 H new ATOM 0 HA SER A 147 111.493 -19.095 27.052 1.00 7.58 H new ATOM 0 HB2 SER A 147 108.747 -18.154 27.107 1.00 8.08 H new ATOM 0 HB3 SER A 147 109.050 -19.102 28.549 1.00 8.08 H new ATOM 0 HG SER A 147 109.695 -16.875 28.810 1.00 8.51 H new ATOM 2373 N GLY A 148 111.235 -21.753 27.056 1.00 8.28 N ATOM 2374 CA GLY A 148 111.193 -23.158 27.550 1.00 8.90 C ATOM 2375 C GLY A 148 110.749 -24.087 26.418 1.00 9.44 C ATOM 2376 O GLY A 148 111.552 -24.757 25.801 1.00 9.64 O ATOM 0 H GLY A 148 111.966 -21.555 26.373 1.00 8.28 H new ATOM 0 HA2 GLY A 148 112.176 -23.456 27.914 1.00 8.90 H new ATOM 0 HA3 GLY A 148 110.504 -23.238 28.391 1.00 8.90 H new ATOM 2380 N GLN A 149 109.474 -24.132 26.142 1.00 9.90 N ATOM 2381 CA GLN A 149 108.979 -25.018 25.051 1.00 10.64 C ATOM 2382 C GLN A 149 109.501 -24.510 23.705 1.00 11.11 C ATOM 2383 O GLN A 149 108.703 -24.388 22.791 1.00 11.46 O ATOM 2384 CB GLN A 149 107.449 -25.006 25.041 1.00 10.88 C ATOM 2385 CG GLN A 149 106.923 -25.919 26.150 1.00 11.29 C ATOM 2386 CD GLN A 149 106.930 -27.369 25.663 1.00 11.82 C ATOM 2387 OE1 GLN A 149 106.342 -27.684 24.648 1.00 12.14 O ATOM 2388 NE2 GLN A 149 107.574 -28.273 26.350 1.00 12.11 N ATOM 2389 OXT GLN A 149 110.690 -24.253 23.612 1.00 11.31 O ATOM 0 H GLN A 149 108.754 -23.594 26.625 1.00 9.90 H new ATOM 0 HA GLN A 149 109.334 -26.035 25.218 1.00 10.64 H new ATOM 0 HB2 GLN A 149 107.082 -23.990 25.187 1.00 10.88 H new ATOM 0 HB3 GLN A 149 107.079 -25.342 24.073 1.00 10.88 H new ATOM 0 HG2 GLN A 149 107.543 -25.821 27.041 1.00 11.29 H new ATOM 0 HG3 GLN A 149 105.912 -25.623 26.430 1.00 11.29 H new ATOM 0 HE21 GLN A 149 108.068 -28.010 27.203 1.00 12.11 H new ATOM 0 HE22 GLN A 149 107.583 -29.243 26.034 1.00 12.11 H new TER 2398 GLN A 149 END