USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 881 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 18-DEC-01 1KN5 TITLE SOLUTION STRUCTURE OF ARID DOMAIN OF ADR6 FROM TITLE 2 SACCHAROMYCES CEREVISIAE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTION REGULATORY PROTEIN ADR6; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ARID DOMAIN; COMPND 5 SYNONYM: TRANSCRIPTION REGULATORY PROTEIN SWI1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 GENE: ADR6; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PREP-4 KEYWDS ADR6, ARID DOMAIN, DNA-BINDING, DNA BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR X.TU,J.WU,Y.XU,Y.SHI REVDAT 3 24-FEB-09 1KN5 1 VERSN REVDAT 2 04-DEC-02 1KN5 1 REMARK REVDAT 1 17-JUL-02 1KN5 0 JRNL AUTH X.TU,J.WU,Y.XU,Y.SHI JRNL TITL 1H, 13C AND 15N RESONANCE ASSIGNMENTS AND JRNL TITL 2 SECONDARY STRUCTURE OF ADR6 DNA-BINDING DOMAIN. JRNL REF J.BIOMOL.NMR V. 21 187 2001 JRNL REFN ISSN 0925-2738 JRNL PMID 11727987 JRNL DOI 10.1023/A:1012434510376 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.TU,J.WU,Y.XU,Y.SHI REMARK 1 TITL 1H, 13C AND 15N RESONANCE ASSIGNMENTS AND REMARK 1 TITL 2 SECONDARY STRUCTURE OF ADR6 DNA-BINDING DOMAIN REMARK 1 REF J.BIOMOL.NMR V. 21 187 2001 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1012434510376 REMARK 1 REFERENCE 2 REMARK 1 AUTH X.TU,Y.XIAO,W.ZENG,Y.SHI REMARK 1 TITL EXPRESSION AND PURIFICATION OF A RECOMBINANT REMARK 1 TITL 2 DNA-BINDING DOMAIN OF ADR6 PROTEIN FROM REMARK 1 TITL 3 ESCHERICHIA COLI AND ITS SECONDARY STRUCTURE REMARK 1 TITL 4 CHARACTERIZATION REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V.1481 167 2000 REMARK 1 REFN ISSN 0006-3002 REMARK 1 DOI 10.1016/S0167-4838(00)00095-9 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS V 1.0 REMARK 3 AUTHORS : A.T. BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KN5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-DEC-01. REMARK 100 THE RCSB ID CODE IS RCSB015132. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.9 REMARK 210 IONIC STRENGTH : 50MM PHOSPHATE BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM ADR6 ARID DOMAIN U-15N, U REMARK 210 -13C, 50MM PHOSPHATE BUFFER REMARK 210 PH4.9, 90% H2O, 10%D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A -11 REMARK 465 ARG A -10 REMARK 465 GLY A -9 REMARK 465 SER A -8 REMARK 465 GLY A -7 REMARK 465 SER A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 HIS A -1 REMARK 465 HIS A 0 REMARK 465 GLY A 1 REMARK 465 SER A 2 REMARK 465 LEU A 105 REMARK 465 GLN A 106 REMARK 465 PRO A 107 REMARK 465 SER A 108 REMARK 465 LEU A 109 REMARK 465 ILE A 110 REMARK 465 SER A 111 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 LEU A 9 -73.32 -69.94 REMARK 500 LEU A 25 -41.97 179.43 REMARK 500 SER A 27 137.59 164.72 REMARK 500 PRO A 29 64.18 -68.20 REMARK 500 GLU A 30 81.74 -48.84 REMARK 500 ASN A 33 31.99 168.98 REMARK 500 ARG A 34 -168.88 171.88 REMARK 500 LEU A 38 -79.31 -38.54 REMARK 500 TYR A 40 -80.67 -66.50 REMARK 500 GLN A 46 -31.93 -39.85 REMARK 500 VAL A 63 -72.71 -60.05 REMARK 500 TYR A 72 -29.19 -36.62 REMARK 500 LEU A 83 56.08 -159.40 REMARK 500 ILE A 91 -46.80 -143.65 REMARK 500 GLN A 93 -44.77 -179.75 REMARK 500 ILE A 96 32.61 36.97 REMARK 500 LYS A 97 16.09 -154.33 REMARK 500 GLU A 98 -59.99 -141.38 REMARK 500 THR A 99 -79.67 -80.95 REMARK 500 LYS A 102 66.18 38.28 REMARK 500 ARG A 103 -62.24 70.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KKX RELATED DB: PDB REMARK 900 1KKX IS THE ENSEMBLE OF 10 STRUCTURES. REMARK 900 RELATED ID: 5061 RELATED DB: BMRB REMARK 900 5061 IS CHEMICAL_SHIFTS FOR THIS PROTEIN. DBREF 1KN5 A 3 104 UNP P09547 SWI1_YEAST 405 506 SEQADV 1KN5 MET A -11 UNP P09547 EXPRESSION TAG SEQADV 1KN5 ARG A -10 UNP P09547 EXPRESSION TAG SEQADV 1KN5 GLY A -9 UNP P09547 EXPRESSION TAG SEQADV 1KN5 SER A -8 UNP P09547 EXPRESSION TAG SEQADV 1KN5 GLY A -7 UNP P09547 EXPRESSION TAG SEQADV 1KN5 SER A -6 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A -5 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A -4 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A -3 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A -2 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A -1 UNP P09547 EXPRESSION TAG SEQADV 1KN5 HIS A 0 UNP P09547 EXPRESSION TAG SEQADV 1KN5 GLY A 1 UNP P09547 EXPRESSION TAG SEQADV 1KN5 SER A 2 UNP P09547 EXPRESSION TAG SEQADV 1KN5 LEU A 105 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 GLN A 106 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 PRO A 107 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 SER A 108 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 LEU A 109 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 ILE A 110 UNP P09547 CLONING ARTIFACT SEQADV 1KN5 SER A 111 UNP P09547 CLONING ARTIFACT SEQRES 1 A 123 MET ARG GLY SER GLY SER HIS HIS HIS HIS HIS HIS GLY SEQRES 2 A 123 SER ASN ASN LYS GLN TYR GLU LEU PHE MET LYS SER LEU SEQRES 3 A 123 ILE GLU ASN CYS LYS LYS ARG ASN MET PRO LEU GLN SER SEQRES 4 A 123 ILE PRO GLU ILE GLY ASN ARG LYS ILE ASN LEU PHE TYR SEQRES 5 A 123 LEU TYR MET LEU VAL GLN LYS PHE GLY GLY ALA ASP GLN SEQRES 6 A 123 VAL THR ARG THR GLN GLN TRP SER MET VAL ALA GLN ARG SEQRES 7 A 123 LEU GLN ILE SER ASP TYR GLN GLN LEU GLU SER ILE TYR SEQRES 8 A 123 PHE ARG ILE LEU LEU PRO TYR GLU ARG HIS MET ILE SER SEQRES 9 A 123 GLN GLU GLY ILE LYS GLU THR GLN ALA LYS ARG ILE LEU SEQRES 10 A 123 GLN PRO SER LEU ILE SER HELIX 1 1 LYS A 5 ARG A 21 1 17 HELIX 2 2 ASN A 37 GLN A 46 1 10 HELIX 3 3 GLY A 50 THR A 55 1 6 HELIX 4 4 GLN A 58 LEU A 67 1 10 HELIX 5 5 ASP A 71 MET A 90 1 20 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 13 SER OG : rot -132:sc= 0.701! USER MOD Set 1.2: A 86 TYR OH : rot -49:sc= 1.21 USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=1.1,f=0.68) USER MOD Set 2.2: A 70 SER OG : rot -56:sc= 1.05 USER MOD Set 3.1: A 42 TYR OH : rot 51:sc= 0.775 USER MOD Set 3.2: A 90 MET CE :methyl -141:sc= -4.8 (180deg=-9.64!) USER MOD Set 4.1: A 18 CYS SG : rot -34:sc= -3.88! USER MOD Set 4.2: A 23 MET CE :methyl -174:sc= -14.7! (180deg=-12.8!) USER MOD Single : A 3 ASN : amide:sc= -0.904 K(o=-0.9,f=-3.9!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -3.08 K(o=-3.1,f=-6.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.77) USER MOD Single : A 26 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 27 SER OG : rot 72:sc= 0.188 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.916 F(o=-1.4,f=-0.92) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.8! C(o=-4.8!,f=-7!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 148:sc= -14.3! (180deg=-16.9!) USER MOD Single : A 46 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.3) USER MOD Single : A 55 THR OG1 : rot 170:sc= -0.0136 USER MOD Single : A 57 THR OG1 : rot -140:sc= 0.494 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 GLN : amide:sc= -5.29 K(o=-5.3,f=-8.5!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.872 USER MOD Single : A 62 MET CE :methyl -163:sc= -10.5! (180deg=-11.3!) USER MOD Single : A 68 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.6!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.245 F(o=-2.9,f=-0.24) USER MOD Single : A 74 GLN : amide:sc= -0.312 K(o=-0.31,f=-3.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -151:sc= 0.554 USER MOD Single : A 89 HIS : no HD1:sc= -2.01 K(o=-2,f=-3.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= -1.31 (180deg=-2.79!) USER MOD Single : A 99 THR OG1 : rot 140:sc= -1.12 USER MOD Single : A 100 GLN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.403) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 4.727 11.213 13.384 1.00 7.97 N ATOM 2 CA ASN A 3 4.187 10.311 12.373 1.00 7.53 C ATOM 3 C ASN A 3 4.953 8.992 12.351 1.00 7.13 C ATOM 4 O ASN A 3 4.998 8.306 11.330 1.00 6.98 O ATOM 5 CB ASN A 3 4.240 10.968 10.992 1.00 7.59 C ATOM 6 CG ASN A 3 2.947 11.677 10.639 1.00 7.88 C ATOM 7 OD1 ASN A 3 1.915 11.461 11.273 1.00 8.17 O ATOM 8 ND2 ASN A 3 2.998 12.529 9.622 1.00 8.08 N ATOM 0 HA ASN A 3 3.148 10.101 12.629 1.00 7.53 H new ATOM 0 HB2 ASN A 3 5.062 11.683 10.964 1.00 7.59 H new ATOM 0 HB3 ASN A 3 4.452 10.209 10.239 1.00 7.59 H new ATOM 0 HD21 ASN A 3 2.159 13.035 9.338 1.00 8.08 H new ATOM 0 HD22 ASN A 3 3.876 12.677 9.124 1.00 8.08 H new ATOM 15 N ASN A 4 5.550 8.639 13.485 1.00 7.10 N ATOM 16 CA ASN A 4 6.308 7.398 13.595 1.00 6.80 C ATOM 17 C ASN A 4 5.376 6.205 13.788 1.00 6.55 C ATOM 18 O ASN A 4 5.752 5.063 13.523 1.00 6.34 O ATOM 19 CB ASN A 4 7.297 7.481 14.759 1.00 7.10 C ATOM 20 CG ASN A 4 8.528 6.625 14.534 1.00 7.10 C ATOM 21 OD1 ASN A 4 9.380 6.948 13.706 1.00 7.12 O ATOM 22 ND2 ASN A 4 8.627 5.526 15.272 1.00 7.35 N ATOM 0 H ASN A 4 5.523 9.194 14.340 1.00 7.10 H new ATOM 0 HA ASN A 4 6.861 7.257 12.667 1.00 6.80 H new ATOM 0 HB2 ASN A 4 7.600 8.518 14.901 1.00 7.10 H new ATOM 0 HB3 ASN A 4 6.801 7.165 15.677 1.00 7.10 H new ATOM 0 HD21 ASN A 4 9.433 4.910 15.165 1.00 7.35 H new ATOM 0 HD22 ASN A 4 7.897 5.297 15.946 1.00 7.35 H new ATOM 29 N LYS A 5 4.159 6.477 14.249 1.00 6.67 N ATOM 30 CA LYS A 5 3.173 5.427 14.477 1.00 6.54 C ATOM 31 C LYS A 5 2.373 5.143 13.208 1.00 6.20 C ATOM 32 O LYS A 5 1.821 4.055 13.044 1.00 5.99 O ATOM 33 CB LYS A 5 2.228 5.826 15.612 1.00 6.98 C ATOM 34 CG LYS A 5 2.579 5.191 16.947 1.00 7.28 C ATOM 35 CD LYS A 5 1.764 3.933 17.196 1.00 7.15 C ATOM 36 CE LYS A 5 2.262 3.178 18.419 1.00 7.17 C ATOM 37 NZ LYS A 5 1.294 2.137 18.861 1.00 7.54 N ATOM 0 H LYS A 5 3.832 7.417 14.472 1.00 6.67 H new ATOM 0 HA LYS A 5 3.705 4.518 14.758 1.00 6.54 H new ATOM 0 HB2 LYS A 5 2.241 6.911 15.720 1.00 6.98 H new ATOM 0 HB3 LYS A 5 1.210 5.545 15.342 1.00 6.98 H new ATOM 0 HG2 LYS A 5 3.641 4.948 16.967 1.00 7.28 H new ATOM 0 HG3 LYS A 5 2.400 5.906 17.750 1.00 7.28 H new ATOM 0 HD2 LYS A 5 0.716 4.199 17.333 1.00 7.15 H new ATOM 0 HD3 LYS A 5 1.817 3.285 16.321 1.00 7.15 H new ATOM 0 HE2 LYS A 5 3.220 2.710 18.192 1.00 7.17 H new ATOM 0 HE3 LYS A 5 2.436 3.881 19.234 1.00 7.17 H new ATOM 0 HZ1 LYS A 5 1.670 1.645 19.697 1.00 7.54 H new ATOM 0 HZ2 LYS A 5 0.388 2.586 19.103 1.00 7.54 H new ATOM 0 HZ3 LYS A 5 1.147 1.451 18.093 1.00 7.54 H new ATOM 51 N GLN A 6 2.311 6.132 12.316 1.00 6.21 N ATOM 52 CA GLN A 6 1.575 5.998 11.059 1.00 5.94 C ATOM 53 C GLN A 6 1.824 4.640 10.406 1.00 5.47 C ATOM 54 O GLN A 6 0.949 4.095 9.733 1.00 5.28 O ATOM 55 CB GLN A 6 1.974 7.117 10.094 1.00 6.02 C ATOM 56 CG GLN A 6 1.342 8.460 10.425 1.00 6.46 C ATOM 57 CD GLN A 6 0.498 9.005 9.289 1.00 6.58 C ATOM 58 OE1 GLN A 6 0.644 8.593 8.138 1.00 6.70 O ATOM 59 NE2 GLN A 6 -0.392 9.938 9.608 1.00 6.83 N ATOM 0 H GLN A 6 2.763 7.038 12.442 1.00 6.21 H new ATOM 0 HA GLN A 6 0.512 6.074 11.287 1.00 5.94 H new ATOM 0 HB2 GLN A 6 3.059 7.223 10.103 1.00 6.02 H new ATOM 0 HB3 GLN A 6 1.690 6.831 9.081 1.00 6.02 H new ATOM 0 HG2 GLN A 6 0.722 8.356 11.315 1.00 6.46 H new ATOM 0 HG3 GLN A 6 2.127 9.177 10.666 1.00 6.46 H new ATOM 0 HE21 GLN A 6 -0.479 10.250 10.575 1.00 6.83 H new ATOM 0 HE22 GLN A 6 -0.988 10.342 8.886 1.00 6.83 H new ATOM 68 N TYR A 7 3.020 4.100 10.612 1.00 5.32 N ATOM 69 CA TYR A 7 3.383 2.809 10.048 1.00 4.90 C ATOM 70 C TYR A 7 2.525 1.697 10.636 1.00 4.85 C ATOM 71 O TYR A 7 1.784 1.030 9.918 1.00 4.62 O ATOM 72 CB TYR A 7 4.862 2.520 10.305 1.00 4.86 C ATOM 73 CG TYR A 7 5.761 3.723 10.119 1.00 5.13 C ATOM 74 CD1 TYR A 7 5.584 4.587 9.046 1.00 5.52 C ATOM 75 CD2 TYR A 7 6.785 3.993 11.018 1.00 5.48 C ATOM 76 CE1 TYR A 7 6.403 5.686 8.873 1.00 6.14 C ATOM 77 CE2 TYR A 7 7.608 5.091 10.852 1.00 6.10 C ATOM 78 CZ TYR A 7 7.413 5.934 9.778 1.00 6.38 C ATOM 79 OH TYR A 7 8.230 7.028 9.609 1.00 7.22 O ATOM 0 H TYR A 7 3.755 4.539 11.167 1.00 5.32 H new ATOM 0 HA TYR A 7 3.207 2.845 8.973 1.00 4.90 H new ATOM 0 HB2 TYR A 7 4.978 2.145 11.322 1.00 4.86 H new ATOM 0 HB3 TYR A 7 5.189 1.726 9.634 1.00 4.86 H new ATOM 0 HD1 TYR A 7 4.793 4.397 8.335 1.00 5.52 H new ATOM 0 HD2 TYR A 7 6.941 3.335 11.860 1.00 5.48 H new ATOM 0 HE1 TYR A 7 6.253 6.348 8.033 1.00 6.14 H new ATOM 0 HE2 TYR A 7 8.400 5.288 11.560 1.00 6.10 H new ATOM 0 HH TYR A 7 8.889 7.059 10.334 1.00 7.22 H new ATOM 89 N GLU A 8 2.630 1.501 11.946 1.00 5.11 N ATOM 90 CA GLU A 8 1.862 0.464 12.629 1.00 5.15 C ATOM 91 C GLU A 8 0.385 0.520 12.244 1.00 5.16 C ATOM 92 O GLU A 8 -0.312 -0.494 12.280 1.00 5.03 O ATOM 93 CB GLU A 8 2.018 0.599 14.144 1.00 5.56 C ATOM 94 CG GLU A 8 3.121 -0.275 14.719 1.00 5.55 C ATOM 95 CD GLU A 8 4.243 0.533 15.343 1.00 5.84 C ATOM 96 OE1 GLU A 8 3.963 1.635 15.860 1.00 6.08 O ATOM 97 OE2 GLU A 8 5.400 0.064 15.314 1.00 6.05 O ATOM 0 H GLU A 8 3.239 2.046 12.557 1.00 5.11 H new ATOM 0 HA GLU A 8 2.255 -0.503 12.315 1.00 5.15 H new ATOM 0 HB2 GLU A 8 2.226 1.641 14.389 1.00 5.56 H new ATOM 0 HB3 GLU A 8 1.074 0.341 14.623 1.00 5.56 H new ATOM 0 HG2 GLU A 8 2.697 -0.941 15.471 1.00 5.55 H new ATOM 0 HG3 GLU A 8 3.529 -0.905 13.929 1.00 5.55 H new ATOM 104 N LEU A 9 -0.089 1.706 11.872 1.00 5.35 N ATOM 105 CA LEU A 9 -1.484 1.875 11.479 1.00 5.41 C ATOM 106 C LEU A 9 -1.750 1.191 10.141 1.00 5.03 C ATOM 107 O LEU A 9 -2.380 0.132 10.091 1.00 4.94 O ATOM 108 CB LEU A 9 -1.851 3.361 11.400 1.00 5.74 C ATOM 109 CG LEU A 9 -1.168 4.262 12.435 1.00 6.12 C ATOM 110 CD1 LEU A 9 -1.868 5.612 12.513 1.00 6.37 C ATOM 111 CD2 LEU A 9 -1.145 3.591 13.802 1.00 6.41 C ATOM 0 H LEU A 9 0.469 2.559 11.835 1.00 5.35 H new ATOM 0 HA LEU A 9 -2.110 1.407 12.239 1.00 5.41 H new ATOM 0 HB2 LEU A 9 -1.602 3.727 10.404 1.00 5.74 H new ATOM 0 HB3 LEU A 9 -2.931 3.458 11.515 1.00 5.74 H new ATOM 0 HG LEU A 9 -0.138 4.426 12.118 1.00 6.12 H new ATOM 0 HD11 LEU A 9 -1.369 6.238 13.253 1.00 6.37 H new ATOM 0 HD12 LEU A 9 -1.828 6.099 11.539 1.00 6.37 H new ATOM 0 HD13 LEU A 9 -2.908 5.466 12.803 1.00 6.37 H new ATOM 0 HD21 LEU A 9 -0.656 4.248 14.521 1.00 6.41 H new ATOM 0 HD22 LEU A 9 -2.166 3.393 14.127 1.00 6.41 H new ATOM 0 HD23 LEU A 9 -0.596 2.651 13.737 1.00 6.41 H new ATOM 123 N PHE A 10 -1.258 1.785 9.055 1.00 4.84 N ATOM 124 CA PHE A 10 -1.446 1.205 7.739 1.00 4.51 C ATOM 125 C PHE A 10 -0.827 -0.184 7.685 1.00 4.18 C ATOM 126 O PHE A 10 -1.294 -1.058 6.954 1.00 3.99 O ATOM 127 CB PHE A 10 -0.856 2.115 6.655 1.00 4.47 C ATOM 128 CG PHE A 10 0.650 2.195 6.629 1.00 4.24 C ATOM 129 CD1 PHE A 10 1.424 1.072 6.373 1.00 4.56 C ATOM 130 CD2 PHE A 10 1.289 3.407 6.834 1.00 4.18 C ATOM 131 CE1 PHE A 10 2.800 1.156 6.326 1.00 4.66 C ATOM 132 CE2 PHE A 10 2.667 3.497 6.791 1.00 4.28 C ATOM 133 CZ PHE A 10 3.424 2.370 6.536 1.00 4.44 C ATOM 0 H PHE A 10 -0.732 2.659 9.066 1.00 4.84 H new ATOM 0 HA PHE A 10 -2.515 1.112 7.548 1.00 4.51 H new ATOM 0 HB2 PHE A 10 -1.201 1.765 5.682 1.00 4.47 H new ATOM 0 HB3 PHE A 10 -1.254 3.120 6.792 1.00 4.47 H new ATOM 0 HD1 PHE A 10 0.943 0.119 6.208 1.00 4.56 H new ATOM 0 HD2 PHE A 10 0.703 4.293 7.030 1.00 4.18 H new ATOM 0 HE1 PHE A 10 3.389 0.273 6.125 1.00 4.66 H new ATOM 0 HE2 PHE A 10 3.152 4.448 6.957 1.00 4.28 H new ATOM 0 HZ PHE A 10 4.501 2.438 6.501 1.00 4.44 H new ATOM 143 N MET A 11 0.221 -0.385 8.479 1.00 4.19 N ATOM 144 CA MET A 11 0.896 -1.673 8.541 1.00 3.97 C ATOM 145 C MET A 11 -0.104 -2.759 8.910 1.00 4.03 C ATOM 146 O MET A 11 -0.369 -3.662 8.117 1.00 3.80 O ATOM 147 CB MET A 11 2.035 -1.630 9.565 1.00 4.15 C ATOM 148 CG MET A 11 2.601 -2.998 9.917 1.00 4.21 C ATOM 149 SD MET A 11 4.391 -2.977 10.127 1.00 3.95 S ATOM 150 CE MET A 11 4.921 -3.617 8.541 1.00 3.51 C ATOM 0 H MET A 11 0.620 0.330 9.088 1.00 4.19 H new ATOM 0 HA MET A 11 1.321 -1.898 7.563 1.00 3.97 H new ATOM 0 HB2 MET A 11 2.838 -1.005 9.174 1.00 4.15 H new ATOM 0 HB3 MET A 11 1.674 -1.152 10.476 1.00 4.15 H new ATOM 0 HG2 MET A 11 2.136 -3.354 10.836 1.00 4.21 H new ATOM 0 HG3 MET A 11 2.340 -3.708 9.132 1.00 4.21 H new ATOM 0 HE1 MET A 11 6.010 -3.665 8.513 1.00 3.51 H new ATOM 0 HE2 MET A 11 4.510 -4.616 8.396 1.00 3.51 H new ATOM 0 HE3 MET A 11 4.567 -2.960 7.747 1.00 3.51 H new ATOM 160 N LYS A 12 -0.671 -2.648 10.114 1.00 4.40 N ATOM 161 CA LYS A 12 -1.661 -3.608 10.595 1.00 4.57 C ATOM 162 C LYS A 12 -2.640 -3.964 9.484 1.00 4.44 C ATOM 163 O LYS A 12 -3.047 -5.117 9.342 1.00 4.45 O ATOM 164 CB LYS A 12 -2.419 -3.036 11.795 1.00 5.03 C ATOM 165 CG LYS A 12 -1.575 -2.934 13.055 1.00 5.26 C ATOM 166 CD LYS A 12 -1.629 -4.218 13.867 1.00 5.64 C ATOM 167 CE LYS A 12 -1.019 -4.029 15.247 1.00 5.96 C ATOM 168 NZ LYS A 12 -1.570 -4.997 16.235 1.00 6.41 N ATOM 0 H LYS A 12 -0.459 -1.899 10.774 1.00 4.40 H new ATOM 0 HA LYS A 12 -1.139 -4.513 10.907 1.00 4.57 H new ATOM 0 HB2 LYS A 12 -2.795 -2.046 11.538 1.00 5.03 H new ATOM 0 HB3 LYS A 12 -3.287 -3.663 11.999 1.00 5.03 H new ATOM 0 HG2 LYS A 12 -0.542 -2.716 12.785 1.00 5.26 H new ATOM 0 HG3 LYS A 12 -1.928 -2.102 13.664 1.00 5.26 H new ATOM 0 HD2 LYS A 12 -2.664 -4.544 13.967 1.00 5.64 H new ATOM 0 HD3 LYS A 12 -1.096 -5.008 13.337 1.00 5.64 H new ATOM 0 HE2 LYS A 12 0.063 -4.149 15.185 1.00 5.96 H new ATOM 0 HE3 LYS A 12 -1.208 -3.012 15.591 1.00 5.96 H new ATOM 0 HZ1 LYS A 12 -1.129 -4.835 17.163 1.00 6.41 H new ATOM 0 HZ2 LYS A 12 -2.599 -4.866 16.313 1.00 6.41 H new ATOM 0 HZ3 LYS A 12 -1.368 -5.967 15.920 1.00 6.41 H new ATOM 182 N SER A 13 -2.998 -2.963 8.685 1.00 4.38 N ATOM 183 CA SER A 13 -3.910 -3.171 7.571 1.00 4.31 C ATOM 184 C SER A 13 -3.298 -4.147 6.570 1.00 3.92 C ATOM 185 O SER A 13 -3.857 -5.210 6.302 1.00 3.98 O ATOM 186 CB SER A 13 -4.229 -1.840 6.888 1.00 4.35 C ATOM 187 OG SER A 13 -5.490 -1.344 7.304 1.00 4.77 O ATOM 0 H SER A 13 -2.670 -2.003 8.790 1.00 4.38 H new ATOM 0 HA SER A 13 -4.839 -3.595 7.953 1.00 4.31 H new ATOM 0 HB2 SER A 13 -3.453 -1.112 7.123 1.00 4.35 H new ATOM 0 HB3 SER A 13 -4.225 -1.972 5.806 1.00 4.35 H new ATOM 0 HG SER A 13 -6.012 -1.077 6.519 1.00 4.77 H new ATOM 193 N LEU A 14 -2.132 -3.787 6.035 1.00 3.60 N ATOM 194 CA LEU A 14 -1.430 -4.634 5.081 1.00 3.26 C ATOM 195 C LEU A 14 -1.227 -6.041 5.656 1.00 3.30 C ATOM 196 O LEU A 14 -1.555 -7.035 5.010 1.00 3.29 O ATOM 197 CB LEU A 14 -0.071 -4.006 4.737 1.00 3.00 C ATOM 198 CG LEU A 14 1.035 -4.972 4.300 1.00 2.73 C ATOM 199 CD1 LEU A 14 1.665 -5.650 5.502 1.00 2.86 C ATOM 200 CD2 LEU A 14 0.512 -6.013 3.327 1.00 2.77 C ATOM 0 H LEU A 14 -1.655 -2.911 6.249 1.00 3.60 H new ATOM 0 HA LEU A 14 -2.031 -4.716 4.175 1.00 3.26 H new ATOM 0 HB2 LEU A 14 -0.223 -3.278 3.940 1.00 3.00 H new ATOM 0 HB3 LEU A 14 0.281 -3.455 5.609 1.00 3.00 H new ATOM 0 HG LEU A 14 1.797 -4.384 3.789 1.00 2.73 H new ATOM 0 HD11 LEU A 14 2.447 -6.331 5.167 1.00 2.86 H new ATOM 0 HD12 LEU A 14 2.097 -4.896 6.160 1.00 2.86 H new ATOM 0 HD13 LEU A 14 0.904 -6.211 6.044 1.00 2.86 H new ATOM 0 HD21 LEU A 14 1.323 -6.681 3.038 1.00 2.77 H new ATOM 0 HD22 LEU A 14 -0.281 -6.590 3.803 1.00 2.77 H new ATOM 0 HD23 LEU A 14 0.118 -5.517 2.440 1.00 2.77 H new ATOM 212 N ILE A 15 -0.656 -6.120 6.864 1.00 3.42 N ATOM 213 CA ILE A 15 -0.385 -7.418 7.490 1.00 3.51 C ATOM 214 C ILE A 15 -1.603 -8.326 7.424 1.00 3.72 C ATOM 215 O ILE A 15 -1.507 -9.475 6.995 1.00 3.72 O ATOM 216 CB ILE A 15 0.083 -7.320 8.962 1.00 3.75 C ATOM 217 CG1 ILE A 15 0.662 -5.934 9.276 1.00 3.82 C ATOM 218 CG2 ILE A 15 1.112 -8.411 9.243 1.00 3.90 C ATOM 219 CD1 ILE A 15 1.465 -5.877 10.559 1.00 4.08 C ATOM 0 H ILE A 15 -0.376 -5.312 7.420 1.00 3.42 H new ATOM 0 HA ILE A 15 0.437 -7.841 6.912 1.00 3.51 H new ATOM 0 HB ILE A 15 -0.781 -7.464 9.610 1.00 3.75 H new ATOM 0 HG12 ILE A 15 1.298 -5.621 8.448 1.00 3.82 H new ATOM 0 HG13 ILE A 15 -0.156 -5.216 9.339 1.00 3.82 H new ATOM 0 HG21 ILE A 15 1.442 -8.342 10.280 1.00 3.90 H new ATOM 0 HG22 ILE A 15 0.662 -9.389 9.070 1.00 3.90 H new ATOM 0 HG23 ILE A 15 1.968 -8.283 8.581 1.00 3.90 H new ATOM 0 HD11 ILE A 15 1.839 -4.864 10.709 1.00 4.08 H new ATOM 0 HD12 ILE A 15 0.829 -6.157 11.399 1.00 4.08 H new ATOM 0 HD13 ILE A 15 2.305 -6.568 10.493 1.00 4.08 H new ATOM 231 N GLU A 16 -2.755 -7.802 7.828 1.00 3.98 N ATOM 232 CA GLU A 16 -3.985 -8.565 7.787 1.00 4.25 C ATOM 233 C GLU A 16 -4.190 -9.154 6.394 1.00 4.09 C ATOM 234 O GLU A 16 -4.870 -10.164 6.227 1.00 4.25 O ATOM 235 CB GLU A 16 -5.155 -7.661 8.163 1.00 4.59 C ATOM 236 CG GLU A 16 -6.137 -8.307 9.121 1.00 5.03 C ATOM 237 CD GLU A 16 -7.502 -8.531 8.500 1.00 5.23 C ATOM 238 OE1 GLU A 16 -7.715 -9.610 7.907 1.00 5.43 O ATOM 239 OE2 GLU A 16 -8.358 -7.628 8.607 1.00 5.47 O ATOM 0 H GLU A 16 -2.857 -6.852 8.186 1.00 3.98 H new ATOM 0 HA GLU A 16 -3.927 -9.386 8.501 1.00 4.25 H new ATOM 0 HB2 GLU A 16 -4.767 -6.748 8.614 1.00 4.59 H new ATOM 0 HB3 GLU A 16 -5.684 -7.369 7.256 1.00 4.59 H new ATOM 0 HG2 GLU A 16 -5.735 -9.263 9.457 1.00 5.03 H new ATOM 0 HG3 GLU A 16 -6.244 -7.677 10.004 1.00 5.03 H new ATOM 246 N ASN A 17 -3.585 -8.509 5.398 1.00 3.85 N ATOM 247 CA ASN A 17 -3.681 -8.952 4.016 1.00 3.76 C ATOM 248 C ASN A 17 -2.648 -10.024 3.707 1.00 3.57 C ATOM 249 O ASN A 17 -2.982 -11.081 3.181 1.00 3.71 O ATOM 250 CB ASN A 17 -3.500 -7.770 3.082 1.00 3.61 C ATOM 251 CG ASN A 17 -4.149 -7.993 1.731 1.00 3.73 C ATOM 252 OD1 ASN A 17 -5.360 -7.829 1.577 1.00 4.10 O ATOM 253 ND2 ASN A 17 -3.347 -8.370 0.743 1.00 3.98 N ATOM 0 H ASN A 17 -3.019 -7.671 5.529 1.00 3.85 H new ATOM 0 HA ASN A 17 -4.670 -9.385 3.866 1.00 3.76 H new ATOM 0 HB2 ASN A 17 -3.925 -6.878 3.543 1.00 3.61 H new ATOM 0 HB3 ASN A 17 -2.436 -7.580 2.943 1.00 3.61 H new ATOM 0 HD21 ASN A 17 -3.728 -8.536 -0.188 1.00 3.98 H new ATOM 0 HD22 ASN A 17 -2.349 -8.494 0.915 1.00 3.98 H new ATOM 260 N CYS A 18 -1.391 -9.759 4.039 1.00 3.35 N ATOM 261 CA CYS A 18 -0.338 -10.733 3.792 1.00 3.27 C ATOM 262 C CYS A 18 -0.692 -12.048 4.467 1.00 3.55 C ATOM 263 O CYS A 18 -0.493 -13.120 3.905 1.00 3.71 O ATOM 264 CB CYS A 18 1.015 -10.219 4.295 1.00 3.14 C ATOM 265 SG CYS A 18 1.178 -10.172 6.093 1.00 3.54 S ATOM 0 H CYS A 18 -1.079 -8.891 4.474 1.00 3.35 H new ATOM 0 HA CYS A 18 -0.254 -10.892 2.717 1.00 3.27 H new ATOM 0 HB2 CYS A 18 1.804 -10.852 3.888 1.00 3.14 H new ATOM 0 HB3 CYS A 18 1.177 -9.215 3.902 1.00 3.14 H new ATOM 0 HG CYS A 18 0.027 -9.886 6.626 1.00 3.54 H new ATOM 271 N LYS A 19 -1.229 -11.952 5.678 1.00 3.72 N ATOM 272 CA LYS A 19 -1.622 -13.130 6.436 1.00 4.05 C ATOM 273 C LYS A 19 -2.912 -13.725 5.889 1.00 4.30 C ATOM 274 O LYS A 19 -3.153 -14.925 6.020 1.00 4.59 O ATOM 275 CB LYS A 19 -1.793 -12.779 7.916 1.00 4.30 C ATOM 276 CG LYS A 19 -1.241 -13.836 8.859 1.00 4.51 C ATOM 277 CD LYS A 19 -1.151 -13.317 10.285 1.00 4.78 C ATOM 278 CE LYS A 19 -0.222 -12.118 10.383 1.00 5.04 C ATOM 279 NZ LYS A 19 0.163 -11.827 11.792 1.00 5.52 N ATOM 0 H LYS A 19 -1.402 -11.067 6.155 1.00 3.72 H new ATOM 0 HA LYS A 19 -0.831 -13.874 6.337 1.00 4.05 H new ATOM 0 HB2 LYS A 19 -1.295 -11.830 8.116 1.00 4.30 H new ATOM 0 HB3 LYS A 19 -2.853 -12.634 8.126 1.00 4.30 H new ATOM 0 HG2 LYS A 19 -1.880 -14.719 8.832 1.00 4.51 H new ATOM 0 HG3 LYS A 19 -0.253 -14.147 8.521 1.00 4.51 H new ATOM 0 HD2 LYS A 19 -2.145 -13.038 10.635 1.00 4.78 H new ATOM 0 HD3 LYS A 19 -0.793 -14.111 10.940 1.00 4.78 H new ATOM 0 HE2 LYS A 19 0.675 -12.305 9.793 1.00 5.04 H new ATOM 0 HE3 LYS A 19 -0.711 -11.244 9.952 1.00 5.04 H new ATOM 0 HZ1 LYS A 19 0.797 -11.003 11.816 1.00 5.52 H new ATOM 0 HZ2 LYS A 19 -0.691 -11.624 12.350 1.00 5.52 H new ATOM 0 HZ3 LYS A 19 0.652 -12.651 12.196 1.00 5.52 H new ATOM 293 N LYS A 20 -3.742 -12.889 5.271 1.00 4.26 N ATOM 294 CA LYS A 20 -4.999 -13.367 4.710 1.00 4.59 C ATOM 295 C LYS A 20 -4.824 -13.802 3.261 1.00 4.70 C ATOM 296 O LYS A 20 -5.644 -14.546 2.723 1.00 5.15 O ATOM 297 CB LYS A 20 -6.104 -12.305 4.833 1.00 4.81 C ATOM 298 CG LYS A 20 -5.993 -11.157 3.832 1.00 4.64 C ATOM 299 CD LYS A 20 -7.110 -11.208 2.800 1.00 4.97 C ATOM 300 CE LYS A 20 -7.633 -9.818 2.473 1.00 5.27 C ATOM 301 NZ LYS A 20 -9.121 -9.775 2.454 1.00 5.56 N ATOM 0 H LYS A 20 -3.569 -11.891 5.148 1.00 4.26 H new ATOM 0 HA LYS A 20 -5.307 -14.238 5.288 1.00 4.59 H new ATOM 0 HB2 LYS A 20 -7.072 -12.790 4.705 1.00 4.81 H new ATOM 0 HB3 LYS A 20 -6.084 -11.894 5.842 1.00 4.81 H new ATOM 0 HG2 LYS A 20 -6.029 -10.205 4.362 1.00 4.64 H new ATOM 0 HG3 LYS A 20 -5.028 -11.204 3.328 1.00 4.64 H new ATOM 0 HD2 LYS A 20 -6.744 -11.683 1.890 1.00 4.97 H new ATOM 0 HD3 LYS A 20 -7.926 -11.825 3.176 1.00 4.97 H new ATOM 0 HE2 LYS A 20 -7.259 -9.107 3.209 1.00 5.27 H new ATOM 0 HE3 LYS A 20 -7.248 -9.504 1.503 1.00 5.27 H new ATOM 0 HZ1 LYS A 20 -9.438 -8.811 2.227 1.00 5.56 H new ATOM 0 HZ2 LYS A 20 -9.478 -10.435 1.734 1.00 5.56 H new ATOM 0 HZ3 LYS A 20 -9.488 -10.049 3.388 1.00 5.56 H new ATOM 315 N ARG A 21 -3.739 -13.359 2.643 1.00 4.44 N ATOM 316 CA ARG A 21 -3.442 -13.728 1.270 1.00 4.70 C ATOM 317 C ARG A 21 -2.473 -14.909 1.247 1.00 4.69 C ATOM 318 O ARG A 21 -1.852 -15.201 0.226 1.00 5.01 O ATOM 319 CB ARG A 21 -2.851 -12.536 0.517 1.00 4.67 C ATOM 320 CG ARG A 21 -3.045 -12.608 -0.989 1.00 5.15 C ATOM 321 CD ARG A 21 -1.801 -13.133 -1.685 1.00 5.31 C ATOM 322 NE ARG A 21 -2.107 -14.235 -2.596 1.00 5.69 N ATOM 323 CZ ARG A 21 -1.363 -14.557 -3.653 1.00 5.99 C ATOM 324 NH1 ARG A 21 -0.266 -13.866 -3.940 1.00 6.07 N ATOM 325 NH2 ARG A 21 -1.717 -15.574 -4.426 1.00 6.53 N ATOM 0 H ARG A 21 -3.050 -12.742 3.073 1.00 4.44 H new ATOM 0 HA ARG A 21 -4.367 -14.023 0.774 1.00 4.70 H new ATOM 0 HB2 ARG A 21 -3.308 -11.619 0.890 1.00 4.67 H new ATOM 0 HB3 ARG A 21 -1.785 -12.472 0.735 1.00 4.67 H new ATOM 0 HG2 ARG A 21 -3.892 -13.255 -1.217 1.00 5.15 H new ATOM 0 HG3 ARG A 21 -3.288 -11.617 -1.374 1.00 5.15 H new ATOM 0 HD2 ARG A 21 -1.328 -12.324 -2.241 1.00 5.31 H new ATOM 0 HD3 ARG A 21 -1.082 -13.469 -0.938 1.00 5.31 H new ATOM 0 HE ARG A 21 -2.942 -14.791 -2.411 1.00 5.69 H new ATOM 0 HH11 ARG A 21 0.012 -13.082 -3.349 1.00 6.07 H new ATOM 0 HH12 ARG A 21 0.298 -14.119 -4.751 1.00 6.07 H new ATOM 0 HH21 ARG A 21 -2.558 -16.109 -4.211 1.00 6.53 H new ATOM 0 HH22 ARG A 21 -1.148 -15.821 -5.236 1.00 6.53 H new ATOM 339 N ASN A 22 -2.354 -15.583 2.394 1.00 4.49 N ATOM 340 CA ASN A 22 -1.475 -16.733 2.539 1.00 4.65 C ATOM 341 C ASN A 22 -0.017 -16.321 2.464 1.00 4.33 C ATOM 342 O ASN A 22 0.787 -16.928 1.757 1.00 4.58 O ATOM 343 CB ASN A 22 -1.801 -17.784 1.488 1.00 5.25 C ATOM 344 CG ASN A 22 -0.904 -19.005 1.575 1.00 5.73 C ATOM 345 OD1 ASN A 22 -0.906 -19.719 2.578 1.00 6.06 O ATOM 346 ND2 ASN A 22 -0.132 -19.248 0.523 1.00 6.09 N ATOM 0 H ASN A 22 -2.866 -15.343 3.243 1.00 4.49 H new ATOM 0 HA ASN A 22 -1.642 -17.169 3.524 1.00 4.65 H new ATOM 0 HB2 ASN A 22 -2.840 -18.094 1.602 1.00 5.25 H new ATOM 0 HB3 ASN A 22 -1.707 -17.340 0.497 1.00 5.25 H new ATOM 0 HD21 ASN A 22 0.493 -20.054 0.524 1.00 6.09 H new ATOM 0 HD22 ASN A 22 -0.164 -18.629 -0.287 1.00 6.09 H new ATOM 353 N MET A 23 0.310 -15.288 3.220 1.00 4.00 N ATOM 354 CA MET A 23 1.675 -14.772 3.282 1.00 4.00 C ATOM 355 C MET A 23 2.336 -14.706 1.910 1.00 3.80 C ATOM 356 O MET A 23 3.294 -15.430 1.634 1.00 4.17 O ATOM 357 CB MET A 23 2.516 -15.627 4.229 1.00 4.64 C ATOM 358 CG MET A 23 3.608 -14.853 4.949 1.00 5.08 C ATOM 359 SD MET A 23 3.013 -14.062 6.455 1.00 5.52 S ATOM 360 CE MET A 23 1.521 -13.282 5.847 1.00 4.77 C ATOM 0 H MET A 23 -0.355 -14.783 3.806 1.00 4.00 H new ATOM 0 HA MET A 23 1.617 -13.752 3.661 1.00 4.00 H new ATOM 0 HB2 MET A 23 1.860 -16.085 4.969 1.00 4.64 H new ATOM 0 HB3 MET A 23 2.972 -16.438 3.662 1.00 4.64 H new ATOM 0 HG2 MET A 23 4.426 -15.530 5.196 1.00 5.08 H new ATOM 0 HG3 MET A 23 4.013 -14.094 4.279 1.00 5.08 H new ATOM 0 HE1 MET A 23 1.089 -12.662 6.632 1.00 4.77 H new ATOM 0 HE2 MET A 23 1.761 -12.661 4.984 1.00 4.77 H new ATOM 0 HE3 MET A 23 0.803 -14.048 5.554 1.00 4.77 H new ATOM 370 N PRO A 24 1.846 -13.816 1.038 1.00 3.65 N ATOM 371 CA PRO A 24 2.405 -13.635 -0.301 1.00 3.95 C ATOM 372 C PRO A 24 3.771 -12.960 -0.255 1.00 3.84 C ATOM 373 O PRO A 24 3.986 -11.928 -0.892 1.00 4.24 O ATOM 374 CB PRO A 24 1.387 -12.726 -0.989 1.00 4.38 C ATOM 375 CG PRO A 24 0.755 -11.964 0.125 1.00 4.18 C ATOM 376 CD PRO A 24 0.718 -12.905 1.298 1.00 3.74 C ATOM 0 HA PRO A 24 2.563 -14.583 -0.815 1.00 3.95 H new ATOM 0 HB2 PRO A 24 1.870 -12.058 -1.703 1.00 4.38 H new ATOM 0 HB3 PRO A 24 0.648 -13.305 -1.543 1.00 4.38 H new ATOM 0 HG2 PRO A 24 1.329 -11.068 0.361 1.00 4.18 H new ATOM 0 HG3 PRO A 24 -0.249 -11.637 -0.145 1.00 4.18 H new ATOM 0 HD2 PRO A 24 0.839 -12.375 2.243 1.00 3.74 H new ATOM 0 HD3 PRO A 24 -0.229 -13.442 1.353 1.00 3.74 H new ATOM 384 N LEU A 25 4.688 -13.541 0.512 1.00 3.78 N ATOM 385 CA LEU A 25 6.026 -12.985 0.650 1.00 4.07 C ATOM 386 C LEU A 25 6.876 -13.831 1.594 1.00 4.34 C ATOM 387 O LEU A 25 8.056 -14.068 1.339 1.00 4.83 O ATOM 388 CB LEU A 25 5.954 -11.538 1.163 1.00 4.05 C ATOM 389 CG LEU A 25 4.795 -11.231 2.125 1.00 3.99 C ATOM 390 CD1 LEU A 25 5.260 -11.311 3.570 1.00 4.66 C ATOM 391 CD2 LEU A 25 4.207 -9.856 1.836 1.00 3.69 C ATOM 0 H LEU A 25 4.528 -14.395 1.046 1.00 3.78 H new ATOM 0 HA LEU A 25 6.495 -12.991 -0.334 1.00 4.07 H new ATOM 0 HB2 LEU A 25 6.892 -11.303 1.666 1.00 4.05 H new ATOM 0 HB3 LEU A 25 5.877 -10.871 0.305 1.00 4.05 H new ATOM 0 HG LEU A 25 4.019 -11.980 1.969 1.00 3.99 H new ATOM 0 HD11 LEU A 25 4.424 -11.090 4.234 1.00 4.66 H new ATOM 0 HD12 LEU A 25 5.633 -12.314 3.777 1.00 4.66 H new ATOM 0 HD13 LEU A 25 6.057 -10.586 3.736 1.00 4.66 H new ATOM 0 HD21 LEU A 25 3.388 -9.658 2.528 1.00 3.69 H new ATOM 0 HD22 LEU A 25 4.979 -9.097 1.961 1.00 3.69 H new ATOM 0 HD23 LEU A 25 3.832 -9.828 0.813 1.00 3.69 H new ATOM 403 N GLN A 26 6.271 -14.267 2.695 1.00 4.50 N ATOM 404 CA GLN A 26 6.976 -15.071 3.694 1.00 5.14 C ATOM 405 C GLN A 26 8.067 -14.240 4.368 1.00 5.26 C ATOM 406 O GLN A 26 8.932 -14.770 5.066 1.00 5.91 O ATOM 407 CB GLN A 26 7.585 -16.318 3.046 1.00 5.96 C ATOM 408 CG GLN A 26 6.986 -17.620 3.554 1.00 6.48 C ATOM 409 CD GLN A 26 7.818 -18.256 4.650 1.00 7.28 C ATOM 410 OE1 GLN A 26 8.865 -17.733 5.033 1.00 7.69 O ATOM 411 NE2 GLN A 26 7.356 -19.392 5.161 1.00 7.76 N ATOM 0 H GLN A 26 5.294 -14.078 2.920 1.00 4.50 H new ATOM 0 HA GLN A 26 6.259 -15.389 4.451 1.00 5.14 H new ATOM 0 HB2 GLN A 26 7.447 -16.261 1.966 1.00 5.96 H new ATOM 0 HB3 GLN A 26 8.659 -16.325 3.230 1.00 5.96 H new ATOM 0 HG2 GLN A 26 5.980 -17.431 3.930 1.00 6.48 H new ATOM 0 HG3 GLN A 26 6.890 -18.320 2.724 1.00 6.48 H new ATOM 0 HE21 GLN A 26 6.484 -19.790 4.813 1.00 7.76 H new ATOM 0 HE22 GLN A 26 7.874 -19.866 5.901 1.00 7.76 H new ATOM 420 N SER A 27 8.011 -12.932 4.135 1.00 4.82 N ATOM 421 CA SER A 27 8.971 -11.984 4.682 1.00 5.04 C ATOM 422 C SER A 27 8.844 -10.669 3.927 1.00 4.48 C ATOM 423 O SER A 27 8.707 -10.666 2.704 1.00 4.80 O ATOM 424 CB SER A 27 10.395 -12.527 4.557 1.00 5.83 C ATOM 425 OG SER A 27 10.916 -12.890 5.824 1.00 6.53 O ATOM 0 H SER A 27 7.291 -12.499 3.556 1.00 4.82 H new ATOM 0 HA SER A 27 8.762 -11.826 5.740 1.00 5.04 H new ATOM 0 HB2 SER A 27 10.400 -13.394 3.896 1.00 5.83 H new ATOM 0 HB3 SER A 27 11.036 -11.774 4.099 1.00 5.83 H new ATOM 0 HG SER A 27 10.469 -13.702 6.141 1.00 6.53 H new ATOM 431 N ILE A 28 8.880 -9.552 4.641 1.00 3.94 N ATOM 432 CA ILE A 28 8.753 -8.256 3.991 1.00 3.57 C ATOM 433 C ILE A 28 9.874 -8.053 2.988 1.00 3.58 C ATOM 434 O ILE A 28 11.047 -8.078 3.359 1.00 3.82 O ATOM 435 CB ILE A 28 8.792 -7.068 4.978 1.00 3.46 C ATOM 436 CG1 ILE A 28 8.356 -7.470 6.382 1.00 3.45 C ATOM 437 CG2 ILE A 28 7.931 -5.928 4.466 1.00 3.87 C ATOM 438 CD1 ILE A 28 7.112 -8.337 6.423 1.00 3.56 C ATOM 0 H ILE A 28 8.994 -9.516 5.654 1.00 3.94 H new ATOM 0 HA ILE A 28 7.778 -8.270 3.504 1.00 3.57 H new ATOM 0 HB ILE A 28 9.828 -6.736 5.043 1.00 3.46 H new ATOM 0 HG12 ILE A 28 9.174 -8.005 6.865 1.00 3.45 H new ATOM 0 HG13 ILE A 28 8.176 -6.568 6.967 1.00 3.45 H new ATOM 0 HG21 ILE A 28 7.968 -5.098 5.172 1.00 3.87 H new ATOM 0 HG22 ILE A 28 8.304 -5.597 3.497 1.00 3.87 H new ATOM 0 HG23 ILE A 28 6.901 -6.269 4.361 1.00 3.87 H new ATOM 0 HD11 ILE A 28 6.870 -8.578 7.458 1.00 3.56 H new ATOM 0 HD12 ILE A 28 6.278 -7.799 5.972 1.00 3.56 H new ATOM 0 HD13 ILE A 28 7.292 -9.258 5.869 1.00 3.56 H new ATOM 450 N PRO A 29 9.543 -7.819 1.711 1.00 3.61 N ATOM 451 CA PRO A 29 10.554 -7.575 0.690 1.00 3.84 C ATOM 452 C PRO A 29 11.235 -6.241 0.948 1.00 3.33 C ATOM 453 O PRO A 29 11.108 -5.305 0.162 1.00 3.65 O ATOM 454 CB PRO A 29 9.753 -7.538 -0.614 1.00 4.29 C ATOM 455 CG PRO A 29 8.375 -7.152 -0.200 1.00 4.21 C ATOM 456 CD PRO A 29 8.173 -7.739 1.170 1.00 3.77 C ATOM 0 HA PRO A 29 11.342 -8.328 0.671 1.00 3.84 H new ATOM 0 HB2 PRO A 29 10.172 -6.817 -1.316 1.00 4.29 H new ATOM 0 HB3 PRO A 29 9.760 -8.508 -1.111 1.00 4.29 H new ATOM 0 HG2 PRO A 29 8.263 -6.068 -0.180 1.00 4.21 H new ATOM 0 HG3 PRO A 29 7.635 -7.536 -0.902 1.00 4.21 H new ATOM 0 HD2 PRO A 29 7.533 -7.108 1.787 1.00 3.77 H new ATOM 0 HD3 PRO A 29 7.702 -8.721 1.121 1.00 3.77 H new ATOM 464 N GLU A 30 11.932 -6.159 2.082 1.00 2.94 N ATOM 465 CA GLU A 30 12.617 -4.940 2.489 1.00 2.78 C ATOM 466 C GLU A 30 13.458 -4.373 1.343 1.00 2.72 C ATOM 467 O GLU A 30 14.665 -4.610 1.278 1.00 3.29 O ATOM 468 CB GLU A 30 13.514 -5.223 3.696 1.00 3.40 C ATOM 469 CG GLU A 30 12.825 -5.002 5.032 1.00 3.69 C ATOM 470 CD GLU A 30 13.688 -5.415 6.208 1.00 4.36 C ATOM 471 OE1 GLU A 30 14.926 -5.276 6.114 1.00 4.75 O ATOM 472 OE2 GLU A 30 13.126 -5.878 7.223 1.00 4.85 O ATOM 0 H GLU A 30 12.035 -6.933 2.738 1.00 2.94 H new ATOM 0 HA GLU A 30 11.863 -4.201 2.761 1.00 2.78 H new ATOM 0 HB2 GLU A 30 13.864 -6.254 3.644 1.00 3.40 H new ATOM 0 HB3 GLU A 30 14.395 -4.584 3.641 1.00 3.40 H new ATOM 0 HG2 GLU A 30 12.562 -3.949 5.131 1.00 3.69 H new ATOM 0 HG3 GLU A 30 11.893 -5.567 5.054 1.00 3.69 H new ATOM 479 N ILE A 31 12.821 -3.642 0.432 1.00 2.40 N ATOM 480 CA ILE A 31 13.526 -3.072 -0.711 1.00 2.50 C ATOM 481 C ILE A 31 13.993 -1.649 -0.433 1.00 2.89 C ATOM 482 O ILE A 31 13.211 -0.787 -0.031 1.00 3.30 O ATOM 483 CB ILE A 31 12.652 -3.082 -1.987 1.00 2.46 C ATOM 484 CG1 ILE A 31 12.208 -4.506 -2.344 1.00 2.91 C ATOM 485 CG2 ILE A 31 13.404 -2.463 -3.159 1.00 2.55 C ATOM 486 CD1 ILE A 31 13.137 -5.597 -1.848 1.00 3.51 C ATOM 0 H ILE A 31 11.823 -3.432 0.463 1.00 2.40 H new ATOM 0 HA ILE A 31 14.399 -3.704 -0.877 1.00 2.50 H new ATOM 0 HB ILE A 31 11.763 -2.486 -1.783 1.00 2.46 H new ATOM 0 HG12 ILE A 31 11.214 -4.677 -1.931 1.00 2.91 H new ATOM 0 HG13 ILE A 31 12.121 -4.585 -3.428 1.00 2.91 H new ATOM 0 HG21 ILE A 31 12.772 -2.480 -4.047 1.00 2.55 H new ATOM 0 HG22 ILE A 31 13.666 -1.432 -2.920 1.00 2.55 H new ATOM 0 HG23 ILE A 31 14.313 -3.033 -3.350 1.00 2.55 H new ATOM 0 HD11 ILE A 31 12.746 -6.570 -2.145 1.00 3.51 H new ATOM 0 HD12 ILE A 31 14.127 -5.456 -2.281 1.00 3.51 H new ATOM 0 HD13 ILE A 31 13.206 -5.550 -0.761 1.00 3.51 H new ATOM 498 N GLY A 32 15.280 -1.421 -0.655 1.00 3.31 N ATOM 499 CA GLY A 32 15.864 -0.115 -0.434 1.00 4.02 C ATOM 500 C GLY A 32 17.083 -0.187 0.459 1.00 4.35 C ATOM 501 O GLY A 32 18.216 -0.163 -0.020 1.00 5.03 O ATOM 0 H GLY A 32 15.936 -2.127 -0.988 1.00 3.31 H new ATOM 0 HA2 GLY A 32 16.141 0.326 -1.392 1.00 4.02 H new ATOM 0 HA3 GLY A 32 15.122 0.543 0.017 1.00 4.02 H new ATOM 505 N ASN A 33 16.836 -0.285 1.760 1.00 4.15 N ATOM 506 CA ASN A 33 17.901 -0.371 2.761 1.00 4.74 C ATOM 507 C ASN A 33 17.338 -0.201 4.172 1.00 4.74 C ATOM 508 O ASN A 33 18.009 0.334 5.055 1.00 5.28 O ATOM 509 CB ASN A 33 18.964 0.700 2.506 1.00 5.41 C ATOM 510 CG ASN A 33 20.155 0.571 3.434 1.00 6.25 C ATOM 511 OD1 ASN A 33 20.248 1.469 4.408 1.00 6.65 O flip ATOM 512 ND2 ASN A 33 20.983 -0.327 3.279 1.00 6.80 N flip ATOM 0 H ASN A 33 15.895 -0.307 2.153 1.00 4.15 H new ATOM 0 HA ASN A 33 18.356 -1.358 2.678 1.00 4.74 H new ATOM 0 HB2 ASN A 33 19.304 0.631 1.473 1.00 5.41 H new ATOM 0 HB3 ASN A 33 18.517 1.687 2.629 1.00 5.41 H new ATOM 0 HD21 ASN A 33 20.873 -0.996 2.517 1.00 6.80 H new ATOM 0 HD22 ASN A 33 21.779 -0.402 3.913 1.00 6.80 H new ATOM 519 N ARG A 34 16.102 -0.651 4.382 1.00 4.42 N ATOM 520 CA ARG A 34 15.453 -0.538 5.687 1.00 4.63 C ATOM 521 C ARG A 34 13.985 -0.946 5.596 1.00 4.03 C ATOM 522 O ARG A 34 13.549 -1.497 4.585 1.00 3.84 O ATOM 523 CB ARG A 34 15.566 0.896 6.216 1.00 5.30 C ATOM 524 CG ARG A 34 15.238 1.956 5.177 1.00 5.56 C ATOM 525 CD ARG A 34 13.752 1.979 4.854 1.00 5.93 C ATOM 526 NE ARG A 34 13.243 3.342 4.720 1.00 6.81 N ATOM 527 CZ ARG A 34 12.945 4.126 5.754 1.00 7.52 C ATOM 528 NH1 ARG A 34 13.107 3.688 6.996 1.00 7.56 N ATOM 529 NH2 ARG A 34 12.486 5.352 5.544 1.00 8.41 N ATOM 0 H ARG A 34 15.530 -1.097 3.665 1.00 4.42 H new ATOM 0 HA ARG A 34 15.959 -1.211 6.379 1.00 4.63 H new ATOM 0 HB2 ARG A 34 14.896 1.014 7.067 1.00 5.30 H new ATOM 0 HB3 ARG A 34 16.579 1.060 6.583 1.00 5.30 H new ATOM 0 HG2 ARG A 34 15.547 2.935 5.544 1.00 5.56 H new ATOM 0 HG3 ARG A 34 15.806 1.763 4.267 1.00 5.56 H new ATOM 0 HD2 ARG A 34 13.574 1.433 3.928 1.00 5.93 H new ATOM 0 HD3 ARG A 34 13.202 1.462 5.640 1.00 5.93 H new ATOM 0 HE ARG A 34 13.108 3.714 3.780 1.00 6.81 H new ATOM 0 HH11 ARG A 34 13.462 2.746 7.162 1.00 7.56 H new ATOM 0 HH12 ARG A 34 12.877 4.293 7.784 1.00 7.56 H new ATOM 0 HH21 ARG A 34 12.361 5.694 4.591 1.00 8.41 H new ATOM 0 HH22 ARG A 34 12.257 5.953 6.335 1.00 8.41 H new ATOM 543 N LYS A 35 13.224 -0.673 6.656 1.00 4.01 N ATOM 544 CA LYS A 35 11.803 -1.013 6.691 1.00 3.73 C ATOM 545 C LYS A 35 11.104 -0.592 5.400 1.00 3.43 C ATOM 546 O LYS A 35 11.381 0.474 4.850 1.00 3.82 O ATOM 547 CB LYS A 35 11.127 -0.346 7.890 1.00 4.23 C ATOM 548 CG LYS A 35 9.889 -1.083 8.376 1.00 4.58 C ATOM 549 CD LYS A 35 10.253 -2.385 9.074 1.00 4.74 C ATOM 550 CE LYS A 35 9.355 -3.527 8.626 1.00 4.71 C ATOM 551 NZ LYS A 35 9.142 -4.525 9.711 1.00 5.19 N ATOM 0 H LYS A 35 13.568 -0.218 7.501 1.00 4.01 H new ATOM 0 HA LYS A 35 11.720 -2.095 6.789 1.00 3.73 H new ATOM 0 HB2 LYS A 35 11.843 -0.276 8.709 1.00 4.23 H new ATOM 0 HB3 LYS A 35 10.851 0.673 7.621 1.00 4.23 H new ATOM 0 HG2 LYS A 35 9.330 -0.445 9.061 1.00 4.58 H new ATOM 0 HG3 LYS A 35 9.234 -1.293 7.530 1.00 4.58 H new ATOM 0 HD2 LYS A 35 11.293 -2.634 8.863 1.00 4.74 H new ATOM 0 HD3 LYS A 35 10.169 -2.256 10.153 1.00 4.74 H new ATOM 0 HE2 LYS A 35 8.393 -3.128 8.306 1.00 4.71 H new ATOM 0 HE3 LYS A 35 9.799 -4.020 7.761 1.00 4.71 H new ATOM 0 HZ1 LYS A 35 8.525 -5.287 9.365 1.00 5.19 H new ATOM 0 HZ2 LYS A 35 10.058 -4.925 9.999 1.00 5.19 H new ATOM 0 HZ3 LYS A 35 8.695 -4.061 10.527 1.00 5.19 H new ATOM 565 N ILE A 36 10.205 -1.442 4.919 1.00 3.02 N ATOM 566 CA ILE A 36 9.474 -1.174 3.694 1.00 2.85 C ATOM 567 C ILE A 36 8.673 0.121 3.777 1.00 2.76 C ATOM 568 O ILE A 36 8.213 0.517 4.848 1.00 3.16 O ATOM 569 CB ILE A 36 8.515 -2.331 3.356 1.00 2.96 C ATOM 570 CG1 ILE A 36 7.610 -2.660 4.549 1.00 2.96 C ATOM 571 CG2 ILE A 36 9.301 -3.561 2.929 1.00 3.39 C ATOM 572 CD1 ILE A 36 6.525 -1.635 4.796 1.00 3.31 C ATOM 0 H ILE A 36 9.966 -2.328 5.365 1.00 3.02 H new ATOM 0 HA ILE A 36 10.221 -1.074 2.907 1.00 2.85 H new ATOM 0 HB ILE A 36 7.880 -2.016 2.528 1.00 2.96 H new ATOM 0 HG12 ILE A 36 7.147 -3.633 4.384 1.00 2.96 H new ATOM 0 HG13 ILE A 36 8.224 -2.748 5.445 1.00 2.96 H new ATOM 0 HG21 ILE A 36 8.610 -4.371 2.693 1.00 3.39 H new ATOM 0 HG22 ILE A 36 9.897 -3.324 2.048 1.00 3.39 H new ATOM 0 HG23 ILE A 36 9.960 -3.871 3.740 1.00 3.39 H new ATOM 0 HD11 ILE A 36 5.927 -1.938 5.656 1.00 3.31 H new ATOM 0 HD12 ILE A 36 6.980 -0.664 4.994 1.00 3.31 H new ATOM 0 HD13 ILE A 36 5.885 -1.563 3.916 1.00 3.31 H new ATOM 584 N ASN A 37 8.496 0.763 2.628 1.00 2.66 N ATOM 585 CA ASN A 37 7.734 2.002 2.540 1.00 2.70 C ATOM 586 C ASN A 37 6.578 1.819 1.563 1.00 2.31 C ATOM 587 O ASN A 37 6.327 2.665 0.708 1.00 2.27 O ATOM 588 CB ASN A 37 8.636 3.154 2.088 1.00 3.07 C ATOM 589 CG ASN A 37 8.459 4.397 2.939 1.00 3.55 C ATOM 590 OD1 ASN A 37 7.760 4.375 3.952 1.00 4.00 O ATOM 591 ND2 ASN A 37 9.094 5.490 2.530 1.00 3.96 N ATOM 0 H ASN A 37 8.874 0.442 1.737 1.00 2.66 H new ATOM 0 HA ASN A 37 7.336 2.247 3.525 1.00 2.70 H new ATOM 0 HB2 ASN A 37 9.677 2.834 2.130 1.00 3.07 H new ATOM 0 HB3 ASN A 37 8.418 3.395 1.048 1.00 3.07 H new ATOM 0 HD21 ASN A 37 9.013 6.356 3.062 1.00 3.96 H new ATOM 0 HD22 ASN A 37 9.663 5.463 1.684 1.00 3.96 H new ATOM 598 N LEU A 38 5.895 0.685 1.695 1.00 2.21 N ATOM 599 CA LEU A 38 4.775 0.329 0.836 1.00 2.13 C ATOM 600 C LEU A 38 3.888 1.524 0.486 1.00 2.22 C ATOM 601 O LEU A 38 3.979 2.073 -0.610 1.00 2.17 O ATOM 602 CB LEU A 38 3.943 -0.762 1.508 1.00 2.44 C ATOM 603 CG LEU A 38 4.687 -2.070 1.787 1.00 2.55 C ATOM 604 CD1 LEU A 38 3.709 -3.164 2.175 1.00 3.21 C ATOM 605 CD2 LEU A 38 5.506 -2.494 0.575 1.00 3.01 C ATOM 0 H LEU A 38 6.106 -0.015 2.406 1.00 2.21 H new ATOM 0 HA LEU A 38 5.191 -0.037 -0.103 1.00 2.13 H new ATOM 0 HB2 LEU A 38 3.557 -0.374 2.451 1.00 2.44 H new ATOM 0 HB3 LEU A 38 3.081 -0.980 0.877 1.00 2.44 H new ATOM 0 HG LEU A 38 5.370 -1.903 2.620 1.00 2.55 H new ATOM 0 HD11 LEU A 38 4.254 -4.087 2.370 1.00 3.21 H new ATOM 0 HD12 LEU A 38 3.167 -2.866 3.073 1.00 3.21 H new ATOM 0 HD13 LEU A 38 3.002 -3.325 1.361 1.00 3.21 H new ATOM 0 HD21 LEU A 38 6.026 -3.426 0.796 1.00 3.01 H new ATOM 0 HD22 LEU A 38 4.844 -2.641 -0.278 1.00 3.01 H new ATOM 0 HD23 LEU A 38 6.235 -1.719 0.339 1.00 3.01 H new ATOM 617 N PHE A 39 3.016 1.914 1.407 1.00 2.52 N ATOM 618 CA PHE A 39 2.103 3.026 1.163 1.00 2.74 C ATOM 619 C PHE A 39 2.815 4.238 0.560 1.00 2.71 C ATOM 620 O PHE A 39 2.188 5.048 -0.113 1.00 2.76 O ATOM 621 CB PHE A 39 1.350 3.393 2.440 1.00 3.20 C ATOM 622 CG PHE A 39 0.370 2.328 2.855 1.00 3.23 C ATOM 623 CD1 PHE A 39 0.800 1.227 3.574 1.00 3.49 C ATOM 624 CD2 PHE A 39 -0.975 2.418 2.516 1.00 3.50 C ATOM 625 CE1 PHE A 39 -0.086 0.238 3.953 1.00 3.65 C ATOM 626 CE2 PHE A 39 -1.868 1.427 2.893 1.00 3.66 C ATOM 627 CZ PHE A 39 -1.419 0.337 3.614 1.00 3.57 C ATOM 0 H PHE A 39 2.921 1.480 2.325 1.00 2.52 H new ATOM 0 HA PHE A 39 1.375 2.697 0.422 1.00 2.74 H new ATOM 0 HB2 PHE A 39 2.065 3.558 3.246 1.00 3.20 H new ATOM 0 HB3 PHE A 39 0.819 4.332 2.288 1.00 3.20 H new ATOM 0 HD1 PHE A 39 1.842 1.140 3.842 1.00 3.49 H new ATOM 0 HD2 PHE A 39 -1.328 3.269 1.953 1.00 3.50 H new ATOM 0 HE1 PHE A 39 0.265 -0.614 4.516 1.00 3.65 H new ATOM 0 HE2 PHE A 39 -2.911 1.507 2.624 1.00 3.66 H new ATOM 0 HZ PHE A 39 -2.111 -0.437 3.912 1.00 3.57 H new ATOM 637 N TYR A 40 4.123 4.348 0.763 1.00 2.70 N ATOM 638 CA TYR A 40 4.872 5.457 0.180 1.00 2.76 C ATOM 639 C TYR A 40 4.875 5.316 -1.342 1.00 2.49 C ATOM 640 O TYR A 40 4.065 5.937 -2.040 1.00 2.58 O ATOM 641 CB TYR A 40 6.303 5.488 0.720 1.00 2.82 C ATOM 642 CG TYR A 40 6.662 6.786 1.407 1.00 3.21 C ATOM 643 CD1 TYR A 40 7.069 7.894 0.674 1.00 3.65 C ATOM 644 CD2 TYR A 40 6.591 6.904 2.790 1.00 3.58 C ATOM 645 CE1 TYR A 40 7.397 9.082 1.300 1.00 4.04 C ATOM 646 CE2 TYR A 40 6.917 8.088 3.422 1.00 3.99 C ATOM 647 CZ TYR A 40 7.319 9.173 2.674 1.00 4.06 C ATOM 648 OH TYR A 40 7.643 10.354 3.300 1.00 4.52 O ATOM 0 H TYR A 40 4.679 3.696 1.316 1.00 2.70 H new ATOM 0 HA TYR A 40 4.393 6.397 0.455 1.00 2.76 H new ATOM 0 HB2 TYR A 40 6.435 4.666 1.423 1.00 2.82 H new ATOM 0 HB3 TYR A 40 6.997 5.318 -0.103 1.00 2.82 H new ATOM 0 HD1 TYR A 40 7.130 7.826 -0.402 1.00 3.65 H new ATOM 0 HD2 TYR A 40 6.276 6.056 3.380 1.00 3.58 H new ATOM 0 HE1 TYR A 40 7.713 9.934 0.716 1.00 4.04 H new ATOM 0 HE2 TYR A 40 6.857 8.163 4.498 1.00 3.99 H new ATOM 0 HH TYR A 40 7.534 10.251 4.269 1.00 4.52 H new ATOM 658 N LEU A 41 5.762 4.462 -1.857 1.00 2.22 N ATOM 659 CA LEU A 41 5.828 4.217 -3.294 1.00 2.01 C ATOM 660 C LEU A 41 4.432 3.926 -3.825 1.00 1.95 C ATOM 661 O LEU A 41 4.114 4.204 -4.984 1.00 1.99 O ATOM 662 CB LEU A 41 6.760 3.045 -3.606 1.00 1.82 C ATOM 663 CG LEU A 41 6.139 1.654 -3.428 1.00 1.55 C ATOM 664 CD1 LEU A 41 6.920 0.615 -4.219 1.00 1.50 C ATOM 665 CD2 LEU A 41 6.116 1.284 -1.954 1.00 1.82 C ATOM 0 H LEU A 41 6.437 3.934 -1.304 1.00 2.22 H new ATOM 0 HA LEU A 41 6.226 5.107 -3.781 1.00 2.01 H new ATOM 0 HB2 LEU A 41 7.108 3.142 -4.635 1.00 1.82 H new ATOM 0 HB3 LEU A 41 7.638 3.119 -2.964 1.00 1.82 H new ATOM 0 HG LEU A 41 5.117 1.676 -3.806 1.00 1.55 H new ATOM 0 HD11 LEU A 41 6.465 -0.366 -4.080 1.00 1.50 H new ATOM 0 HD12 LEU A 41 6.904 0.876 -5.277 1.00 1.50 H new ATOM 0 HD13 LEU A 41 7.951 0.589 -3.867 1.00 1.50 H new ATOM 0 HD21 LEU A 41 5.674 0.295 -1.834 1.00 1.82 H new ATOM 0 HD22 LEU A 41 7.134 1.276 -1.565 1.00 1.82 H new ATOM 0 HD23 LEU A 41 5.523 2.015 -1.404 1.00 1.82 H new ATOM 677 N TYR A 42 3.590 3.380 -2.960 1.00 1.99 N ATOM 678 CA TYR A 42 2.233 3.088 -3.344 1.00 2.08 C ATOM 679 C TYR A 42 1.481 4.409 -3.519 1.00 2.40 C ATOM 680 O TYR A 42 0.849 4.644 -4.540 1.00 2.46 O ATOM 681 CB TYR A 42 1.560 2.162 -2.314 1.00 2.22 C ATOM 682 CG TYR A 42 0.061 2.372 -2.151 1.00 2.60 C ATOM 683 CD1 TYR A 42 -0.701 2.815 -3.215 1.00 3.03 C ATOM 684 CD2 TYR A 42 -0.586 2.139 -0.943 1.00 3.05 C ATOM 685 CE1 TYR A 42 -2.046 3.030 -3.104 1.00 3.42 C ATOM 686 CE2 TYR A 42 -1.947 2.352 -0.814 1.00 3.44 C ATOM 687 CZ TYR A 42 -2.674 2.801 -1.899 1.00 3.43 C ATOM 688 OH TYR A 42 -4.026 3.019 -1.776 1.00 3.88 O ATOM 0 H TYR A 42 3.827 3.135 -1.999 1.00 1.99 H new ATOM 0 HA TYR A 42 2.217 2.551 -4.292 1.00 2.08 H new ATOM 0 HB2 TYR A 42 1.738 1.127 -2.606 1.00 2.22 H new ATOM 0 HB3 TYR A 42 2.041 2.308 -1.347 1.00 2.22 H new ATOM 0 HD1 TYR A 42 -0.219 2.997 -4.164 1.00 3.03 H new ATOM 0 HD2 TYR A 42 -0.019 1.787 -0.094 1.00 3.05 H new ATOM 0 HE1 TYR A 42 -2.613 3.377 -3.955 1.00 3.42 H new ATOM 0 HE2 TYR A 42 -2.438 2.168 0.130 1.00 3.44 H new ATOM 0 HH TYR A 42 -4.499 2.557 -2.499 1.00 3.88 H new ATOM 698 N MET A 43 1.573 5.292 -2.536 1.00 2.67 N ATOM 699 CA MET A 43 0.906 6.587 -2.632 1.00 3.01 C ATOM 700 C MET A 43 1.133 7.211 -4.007 1.00 2.93 C ATOM 701 O MET A 43 0.324 8.010 -4.478 1.00 3.17 O ATOM 702 CB MET A 43 1.396 7.532 -1.529 1.00 3.28 C ATOM 703 CG MET A 43 0.627 7.447 -0.205 1.00 3.59 C ATOM 704 SD MET A 43 -1.091 6.904 -0.373 1.00 3.76 S ATOM 705 CE MET A 43 -0.870 5.162 -0.739 1.00 3.47 C ATOM 0 H MET A 43 2.095 5.142 -1.673 1.00 2.67 H new ATOM 0 HA MET A 43 -0.164 6.427 -2.499 1.00 3.01 H new ATOM 0 HB2 MET A 43 2.448 7.322 -1.334 1.00 3.28 H new ATOM 0 HB3 MET A 43 1.339 8.556 -1.898 1.00 3.28 H new ATOM 0 HG2 MET A 43 1.149 6.760 0.461 1.00 3.59 H new ATOM 0 HG3 MET A 43 0.641 8.427 0.273 1.00 3.59 H new ATOM 0 HE1 MET A 43 -1.706 4.595 -0.328 1.00 3.47 H new ATOM 0 HE2 MET A 43 -0.830 5.019 -1.819 1.00 3.47 H new ATOM 0 HE3 MET A 43 0.060 4.812 -0.292 1.00 3.47 H new ATOM 715 N LEU A 44 2.231 6.827 -4.653 1.00 2.65 N ATOM 716 CA LEU A 44 2.547 7.340 -5.984 1.00 2.65 C ATOM 717 C LEU A 44 1.815 6.557 -7.066 1.00 2.56 C ATOM 718 O LEU A 44 1.385 7.130 -8.067 1.00 2.81 O ATOM 719 CB LEU A 44 4.048 7.292 -6.265 1.00 2.57 C ATOM 720 CG LEU A 44 4.938 6.944 -5.079 1.00 2.52 C ATOM 721 CD1 LEU A 44 6.402 6.938 -5.490 1.00 2.67 C ATOM 722 CD2 LEU A 44 4.709 7.918 -3.928 1.00 2.93 C ATOM 0 H LEU A 44 2.913 6.167 -4.280 1.00 2.65 H new ATOM 0 HA LEU A 44 2.216 8.378 -6.003 1.00 2.65 H new ATOM 0 HB2 LEU A 44 4.227 6.562 -7.055 1.00 2.57 H new ATOM 0 HB3 LEU A 44 4.356 8.263 -6.653 1.00 2.57 H new ATOM 0 HG LEU A 44 4.673 5.943 -4.738 1.00 2.52 H new ATOM 0 HD11 LEU A 44 7.021 6.687 -4.628 1.00 2.67 H new ATOM 0 HD12 LEU A 44 6.556 6.198 -6.275 1.00 2.67 H new ATOM 0 HD13 LEU A 44 6.680 7.924 -5.861 1.00 2.67 H new ATOM 0 HD21 LEU A 44 5.355 7.651 -3.091 1.00 2.93 H new ATOM 0 HD22 LEU A 44 4.941 8.931 -4.257 1.00 2.93 H new ATOM 0 HD23 LEU A 44 3.667 7.869 -3.612 1.00 2.93 H new ATOM 734 N VAL A 45 1.664 5.247 -6.868 1.00 2.31 N ATOM 735 CA VAL A 45 0.965 4.426 -7.855 1.00 2.32 C ATOM 736 C VAL A 45 -0.424 4.979 -8.079 1.00 2.74 C ATOM 737 O VAL A 45 -1.020 4.796 -9.138 1.00 3.05 O ATOM 738 CB VAL A 45 0.846 2.943 -7.452 1.00 2.08 C ATOM 739 CG1 VAL A 45 0.351 2.785 -6.048 1.00 2.34 C ATOM 740 CG2 VAL A 45 -0.077 2.215 -8.396 1.00 2.24 C ATOM 0 H VAL A 45 2.008 4.741 -6.052 1.00 2.31 H new ATOM 0 HA VAL A 45 1.563 4.466 -8.765 1.00 2.32 H new ATOM 0 HB VAL A 45 1.845 2.512 -7.510 1.00 2.08 H new ATOM 0 HG11 VAL A 45 0.281 1.725 -5.804 1.00 2.34 H new ATOM 0 HG12 VAL A 45 1.044 3.271 -5.361 1.00 2.34 H new ATOM 0 HG13 VAL A 45 -0.633 3.244 -5.955 1.00 2.34 H new ATOM 0 HG21 VAL A 45 -0.151 1.169 -8.098 1.00 2.24 H new ATOM 0 HG22 VAL A 45 -1.066 2.672 -8.363 1.00 2.24 H new ATOM 0 HG23 VAL A 45 0.317 2.277 -9.410 1.00 2.24 H new ATOM 750 N GLN A 46 -0.919 5.669 -7.063 1.00 2.94 N ATOM 751 CA GLN A 46 -2.240 6.293 -7.111 1.00 3.45 C ATOM 752 C GLN A 46 -2.486 6.904 -8.487 1.00 3.39 C ATOM 753 O GLN A 46 -3.615 6.925 -8.977 1.00 3.62 O ATOM 754 CB GLN A 46 -2.362 7.368 -6.030 1.00 3.91 C ATOM 755 CG GLN A 46 -3.757 7.479 -5.438 1.00 4.48 C ATOM 756 CD GLN A 46 -4.303 8.893 -5.489 1.00 5.07 C ATOM 757 OE1 GLN A 46 -3.861 9.713 -6.294 1.00 5.51 O ATOM 758 NE2 GLN A 46 -5.268 9.186 -4.625 1.00 5.42 N ATOM 0 H GLN A 46 -0.422 5.814 -6.184 1.00 2.94 H new ATOM 0 HA GLN A 46 -2.992 5.526 -6.927 1.00 3.45 H new ATOM 0 HB2 GLN A 46 -1.653 7.150 -5.231 1.00 3.91 H new ATOM 0 HB3 GLN A 46 -2.078 8.331 -6.454 1.00 3.91 H new ATOM 0 HG2 GLN A 46 -4.431 6.814 -5.978 1.00 4.48 H new ATOM 0 HG3 GLN A 46 -3.736 7.139 -4.403 1.00 4.48 H new ATOM 0 HE21 GLN A 46 -5.604 8.475 -3.975 1.00 5.42 H new ATOM 0 HE22 GLN A 46 -5.673 10.122 -4.611 1.00 5.42 H new ATOM 767 N LYS A 47 -1.405 7.372 -9.116 1.00 3.21 N ATOM 768 CA LYS A 47 -1.474 7.952 -10.452 1.00 3.38 C ATOM 769 C LYS A 47 -2.331 7.061 -11.346 1.00 3.51 C ATOM 770 O LYS A 47 -3.039 7.538 -12.233 1.00 3.89 O ATOM 771 CB LYS A 47 -0.043 8.127 -11.002 1.00 3.31 C ATOM 772 CG LYS A 47 0.157 7.835 -12.491 1.00 3.20 C ATOM 773 CD LYS A 47 -0.882 8.530 -13.359 1.00 3.77 C ATOM 774 CE LYS A 47 -0.232 9.395 -14.427 1.00 4.27 C ATOM 775 NZ LYS A 47 -0.969 10.674 -14.629 1.00 4.80 N ATOM 0 H LYS A 47 -0.467 7.358 -8.715 1.00 3.21 H new ATOM 0 HA LYS A 47 -1.942 8.936 -10.422 1.00 3.38 H new ATOM 0 HB2 LYS A 47 0.273 9.152 -10.810 1.00 3.31 H new ATOM 0 HB3 LYS A 47 0.623 7.477 -10.434 1.00 3.31 H new ATOM 0 HG2 LYS A 47 1.154 8.158 -12.792 1.00 3.20 H new ATOM 0 HG3 LYS A 47 0.106 6.759 -12.658 1.00 3.20 H new ATOM 0 HD2 LYS A 47 -1.519 7.783 -13.833 1.00 3.77 H new ATOM 0 HD3 LYS A 47 -1.526 9.147 -12.733 1.00 3.77 H new ATOM 0 HE2 LYS A 47 0.798 9.610 -14.143 1.00 4.27 H new ATOM 0 HE3 LYS A 47 -0.195 8.845 -15.367 1.00 4.27 H new ATOM 0 HZ1 LYS A 47 -0.495 11.236 -15.365 1.00 4.80 H new ATOM 0 HZ2 LYS A 47 -1.945 10.469 -14.925 1.00 4.80 H new ATOM 0 HZ3 LYS A 47 -0.983 11.211 -13.739 1.00 4.80 H new ATOM 789 N PHE A 48 -2.285 5.762 -11.076 1.00 3.35 N ATOM 790 CA PHE A 48 -3.071 4.804 -11.824 1.00 3.70 C ATOM 791 C PHE A 48 -4.222 4.276 -10.979 1.00 3.86 C ATOM 792 O PHE A 48 -5.346 4.137 -11.461 1.00 4.50 O ATOM 793 CB PHE A 48 -2.197 3.663 -12.331 1.00 4.00 C ATOM 794 CG PHE A 48 -2.259 3.524 -13.826 1.00 4.86 C ATOM 795 CD1 PHE A 48 -3.464 3.660 -14.499 1.00 5.44 C ATOM 796 CD2 PHE A 48 -1.114 3.285 -14.560 1.00 5.46 C ATOM 797 CE1 PHE A 48 -3.523 3.556 -15.874 1.00 6.40 C ATOM 798 CE2 PHE A 48 -1.164 3.182 -15.937 1.00 6.41 C ATOM 799 CZ PHE A 48 -2.370 3.317 -16.595 1.00 6.80 C ATOM 0 H PHE A 48 -1.708 5.353 -10.341 1.00 3.35 H new ATOM 0 HA PHE A 48 -3.494 5.312 -12.691 1.00 3.70 H new ATOM 0 HB2 PHE A 48 -1.165 3.835 -12.026 1.00 4.00 H new ATOM 0 HB3 PHE A 48 -2.515 2.729 -11.867 1.00 4.00 H new ATOM 0 HD1 PHE A 48 -4.368 3.850 -13.940 1.00 5.44 H new ATOM 0 HD2 PHE A 48 -0.167 3.177 -14.051 1.00 5.46 H new ATOM 0 HE1 PHE A 48 -4.469 3.661 -16.385 1.00 6.40 H new ATOM 0 HE2 PHE A 48 -0.260 2.996 -16.498 1.00 6.41 H new ATOM 0 HZ PHE A 48 -2.412 3.236 -17.671 1.00 6.80 H new ATOM 809 N GLY A 49 -3.937 3.987 -9.714 1.00 3.57 N ATOM 810 CA GLY A 49 -4.961 3.482 -8.823 1.00 3.98 C ATOM 811 C GLY A 49 -5.073 1.978 -8.882 1.00 3.84 C ATOM 812 O GLY A 49 -5.362 1.327 -7.878 1.00 4.24 O ATOM 0 H GLY A 49 -3.015 4.094 -9.291 1.00 3.57 H new ATOM 0 HA2 GLY A 49 -4.736 3.789 -7.802 1.00 3.98 H new ATOM 0 HA3 GLY A 49 -5.921 3.927 -9.085 1.00 3.98 H new ATOM 816 N GLY A 50 -4.831 1.425 -10.062 1.00 3.48 N ATOM 817 CA GLY A 50 -4.896 -0.006 -10.234 1.00 3.42 C ATOM 818 C GLY A 50 -3.550 -0.583 -10.602 1.00 3.02 C ATOM 819 O GLY A 50 -3.077 -0.404 -11.724 1.00 2.92 O ATOM 0 H GLY A 50 -4.590 1.947 -10.905 1.00 3.48 H new ATOM 0 HA2 GLY A 50 -5.251 -0.468 -9.313 1.00 3.42 H new ATOM 0 HA3 GLY A 50 -5.621 -0.247 -11.012 1.00 3.42 H new ATOM 823 N ALA A 51 -2.924 -1.261 -9.646 1.00 2.86 N ATOM 824 CA ALA A 51 -1.610 -1.856 -9.856 1.00 2.53 C ATOM 825 C ALA A 51 -1.480 -2.484 -11.235 1.00 2.58 C ATOM 826 O ALA A 51 -0.669 -2.055 -12.046 1.00 2.43 O ATOM 827 CB ALA A 51 -1.323 -2.889 -8.786 1.00 2.56 C ATOM 0 H ALA A 51 -3.308 -1.412 -8.713 1.00 2.86 H new ATOM 0 HA ALA A 51 -0.877 -1.052 -9.790 1.00 2.53 H new ATOM 0 HB1 ALA A 51 -0.338 -3.325 -8.956 1.00 2.56 H new ATOM 0 HB2 ALA A 51 -1.345 -2.413 -7.806 1.00 2.56 H new ATOM 0 HB3 ALA A 51 -2.079 -3.673 -8.826 1.00 2.56 H new ATOM 833 N ASP A 52 -2.282 -3.505 -11.493 1.00 2.92 N ATOM 834 CA ASP A 52 -2.252 -4.204 -12.774 1.00 3.13 C ATOM 835 C ASP A 52 -2.135 -3.248 -13.966 1.00 3.11 C ATOM 836 O ASP A 52 -1.666 -3.645 -15.032 1.00 3.25 O ATOM 837 CB ASP A 52 -3.506 -5.067 -12.928 1.00 3.59 C ATOM 838 CG ASP A 52 -3.320 -6.461 -12.362 1.00 3.95 C ATOM 839 OD1 ASP A 52 -3.255 -6.595 -11.122 1.00 4.31 O ATOM 840 OD2 ASP A 52 -3.241 -7.419 -13.160 1.00 4.30 O ATOM 0 H ASP A 52 -2.966 -3.872 -10.831 1.00 2.92 H new ATOM 0 HA ASP A 52 -1.361 -4.832 -12.773 1.00 3.13 H new ATOM 0 HB2 ASP A 52 -4.342 -4.582 -12.424 1.00 3.59 H new ATOM 0 HB3 ASP A 52 -3.768 -5.138 -13.984 1.00 3.59 H new ATOM 845 N GLN A 53 -2.546 -1.990 -13.792 1.00 3.03 N ATOM 846 CA GLN A 53 -2.460 -1.018 -14.864 1.00 3.09 C ATOM 847 C GLN A 53 -1.159 -0.248 -14.770 1.00 2.79 C ATOM 848 O GLN A 53 -0.582 0.168 -15.775 1.00 2.87 O ATOM 849 CB GLN A 53 -3.646 -0.058 -14.807 1.00 3.32 C ATOM 850 CG GLN A 53 -3.939 0.610 -16.136 1.00 3.51 C ATOM 851 CD GLN A 53 -4.526 -0.348 -17.154 1.00 3.82 C ATOM 852 OE1 GLN A 53 -4.653 -1.545 -16.895 1.00 4.15 O ATOM 853 NE2 GLN A 53 -4.888 0.175 -18.319 1.00 4.14 N ATOM 0 H GLN A 53 -2.938 -1.630 -12.922 1.00 3.03 H new ATOM 0 HA GLN A 53 -2.486 -1.548 -15.816 1.00 3.09 H new ATOM 0 HB2 GLN A 53 -4.531 -0.603 -14.479 1.00 3.32 H new ATOM 0 HB3 GLN A 53 -3.449 0.709 -14.058 1.00 3.32 H new ATOM 0 HG2 GLN A 53 -4.632 1.436 -15.978 1.00 3.51 H new ATOM 0 HG3 GLN A 53 -3.019 1.038 -16.534 1.00 3.51 H new ATOM 0 HE21 GLN A 53 -4.765 1.173 -18.490 1.00 4.14 H new ATOM 0 HE22 GLN A 53 -5.290 -0.421 -19.043 1.00 4.14 H new ATOM 862 N VAL A 54 -0.730 -0.036 -13.536 1.00 2.55 N ATOM 863 CA VAL A 54 0.474 0.713 -13.256 1.00 2.34 C ATOM 864 C VAL A 54 1.720 -0.159 -13.197 1.00 2.26 C ATOM 865 O VAL A 54 2.842 0.330 -13.307 1.00 2.31 O ATOM 866 CB VAL A 54 0.316 1.493 -11.938 1.00 2.18 C ATOM 867 CG1 VAL A 54 0.625 0.671 -10.694 1.00 2.02 C ATOM 868 CG2 VAL A 54 1.183 2.701 -11.977 1.00 2.18 C ATOM 0 H VAL A 54 -1.210 -0.380 -12.704 1.00 2.55 H new ATOM 0 HA VAL A 54 0.613 1.405 -14.086 1.00 2.34 H new ATOM 0 HB VAL A 54 -0.735 1.770 -11.861 1.00 2.18 H new ATOM 0 HG11 VAL A 54 0.491 1.290 -9.807 1.00 2.02 H new ATOM 0 HG12 VAL A 54 -0.050 -0.184 -10.646 1.00 2.02 H new ATOM 0 HG13 VAL A 54 1.655 0.318 -10.738 1.00 2.02 H new ATOM 0 HG21 VAL A 54 1.075 3.257 -11.046 1.00 2.18 H new ATOM 0 HG22 VAL A 54 2.223 2.399 -12.100 1.00 2.18 H new ATOM 0 HG23 VAL A 54 0.888 3.334 -12.814 1.00 2.18 H new ATOM 878 N THR A 55 1.508 -1.440 -12.997 1.00 2.32 N ATOM 879 CA THR A 55 2.591 -2.400 -12.884 1.00 2.43 C ATOM 880 C THR A 55 3.310 -2.638 -14.205 1.00 2.81 C ATOM 881 O THR A 55 4.377 -3.250 -14.247 1.00 3.04 O ATOM 882 CB THR A 55 2.035 -3.692 -12.330 1.00 2.57 C ATOM 883 OG1 THR A 55 1.062 -4.239 -13.203 1.00 2.86 O ATOM 884 CG2 THR A 55 1.389 -3.485 -10.981 1.00 2.51 C ATOM 0 H THR A 55 0.578 -1.850 -12.907 1.00 2.32 H new ATOM 0 HA THR A 55 3.341 -1.991 -12.207 1.00 2.43 H new ATOM 0 HB THR A 55 2.878 -4.376 -12.229 1.00 2.57 H new ATOM 0 HG1 THR A 55 0.833 -5.146 -12.911 1.00 2.86 H new ATOM 0 HG21 THR A 55 1.001 -4.435 -10.614 1.00 2.51 H new ATOM 0 HG22 THR A 55 2.128 -3.099 -10.279 1.00 2.51 H new ATOM 0 HG23 THR A 55 0.571 -2.771 -11.075 1.00 2.51 H new ATOM 892 N ARG A 56 2.717 -2.147 -15.271 1.00 2.99 N ATOM 893 CA ARG A 56 3.284 -2.288 -16.609 1.00 3.39 C ATOM 894 C ARG A 56 3.164 -0.982 -17.398 1.00 3.36 C ATOM 895 O ARG A 56 2.880 -0.997 -18.596 1.00 3.65 O ATOM 896 CB ARG A 56 2.584 -3.424 -17.362 1.00 3.73 C ATOM 897 CG ARG A 56 1.204 -3.054 -17.889 1.00 3.69 C ATOM 898 CD ARG A 56 0.161 -4.105 -17.538 1.00 3.88 C ATOM 899 NE ARG A 56 -0.385 -4.752 -18.729 1.00 4.29 N ATOM 900 CZ ARG A 56 -1.553 -5.389 -18.758 1.00 4.70 C ATOM 901 NH1 ARG A 56 -2.299 -5.473 -17.663 1.00 4.90 N ATOM 902 NH2 ARG A 56 -1.977 -5.946 -19.884 1.00 5.23 N ATOM 0 H ARG A 56 1.832 -1.640 -15.243 1.00 2.99 H new ATOM 0 HA ARG A 56 4.342 -2.527 -16.505 1.00 3.39 H new ATOM 0 HB2 ARG A 56 3.211 -3.733 -18.198 1.00 3.73 H new ATOM 0 HB3 ARG A 56 2.491 -4.284 -16.698 1.00 3.73 H new ATOM 0 HG2 ARG A 56 0.903 -2.092 -17.475 1.00 3.69 H new ATOM 0 HG3 ARG A 56 1.249 -2.935 -18.972 1.00 3.69 H new ATOM 0 HD2 ARG A 56 0.609 -4.858 -16.889 1.00 3.88 H new ATOM 0 HD3 ARG A 56 -0.648 -3.639 -16.975 1.00 3.88 H new ATOM 0 HE ARG A 56 0.162 -4.713 -19.589 1.00 4.29 H new ATOM 0 HH11 ARG A 56 -1.978 -5.048 -16.793 1.00 4.90 H new ATOM 0 HH12 ARG A 56 -3.193 -5.963 -17.692 1.00 4.90 H new ATOM 0 HH21 ARG A 56 -1.408 -5.886 -20.728 1.00 5.23 H new ATOM 0 HH22 ARG A 56 -2.872 -6.434 -19.906 1.00 5.23 H new ATOM 916 N THR A 57 3.370 0.144 -16.720 1.00 3.15 N ATOM 917 CA THR A 57 3.270 1.452 -17.366 1.00 3.20 C ATOM 918 C THR A 57 4.483 2.330 -17.057 1.00 3.20 C ATOM 919 O THR A 57 5.527 1.843 -16.624 1.00 3.32 O ATOM 920 CB THR A 57 2.001 2.163 -16.897 1.00 3.05 C ATOM 921 OG1 THR A 57 1.706 3.274 -17.733 1.00 3.24 O ATOM 922 CG2 THR A 57 2.104 2.667 -15.472 1.00 2.79 C ATOM 0 H THR A 57 3.606 0.179 -15.728 1.00 3.15 H new ATOM 0 HA THR A 57 3.234 1.288 -18.443 1.00 3.20 H new ATOM 0 HB THR A 57 1.208 1.417 -16.949 1.00 3.05 H new ATOM 0 HG1 THR A 57 1.390 4.022 -17.184 1.00 3.24 H new ATOM 0 HG21 THR A 57 1.174 3.163 -15.193 1.00 2.79 H new ATOM 0 HG22 THR A 57 2.282 1.827 -14.801 1.00 2.79 H new ATOM 0 HG23 THR A 57 2.930 3.374 -15.395 1.00 2.79 H new ATOM 930 N GLN A 58 4.319 3.637 -17.268 1.00 3.20 N ATOM 931 CA GLN A 58 5.375 4.602 -16.999 1.00 3.30 C ATOM 932 C GLN A 58 5.281 5.092 -15.559 1.00 3.05 C ATOM 933 O GLN A 58 6.294 5.233 -14.874 1.00 3.12 O ATOM 934 CB GLN A 58 5.277 5.785 -17.965 1.00 3.63 C ATOM 935 CG GLN A 58 5.931 5.524 -19.312 1.00 3.99 C ATOM 936 CD GLN A 58 5.927 6.748 -20.207 1.00 4.24 C ATOM 937 OE1 GLN A 58 5.531 7.836 -19.790 1.00 4.42 O ATOM 938 NE2 GLN A 58 6.370 6.574 -21.447 1.00 4.74 N ATOM 0 H GLN A 58 3.458 4.049 -17.627 1.00 3.20 H new ATOM 0 HA GLN A 58 6.338 4.114 -17.145 1.00 3.30 H new ATOM 0 HB2 GLN A 58 4.226 6.030 -18.122 1.00 3.63 H new ATOM 0 HB3 GLN A 58 5.743 6.657 -17.507 1.00 3.63 H new ATOM 0 HG2 GLN A 58 6.959 5.196 -19.156 1.00 3.99 H new ATOM 0 HG3 GLN A 58 5.409 4.709 -19.814 1.00 3.99 H new ATOM 0 HE21 GLN A 58 6.689 5.654 -21.750 1.00 4.74 H new ATOM 0 HE22 GLN A 58 6.391 7.361 -22.096 1.00 4.74 H new ATOM 947 N GLN A 59 4.053 5.336 -15.100 1.00 2.88 N ATOM 948 CA GLN A 59 3.817 5.791 -13.737 1.00 2.75 C ATOM 949 C GLN A 59 4.596 4.925 -12.749 1.00 2.48 C ATOM 950 O GLN A 59 5.023 5.386 -11.686 1.00 2.45 O ATOM 951 CB GLN A 59 2.318 5.737 -13.412 1.00 2.76 C ATOM 952 CG GLN A 59 1.411 6.034 -14.603 1.00 3.03 C ATOM 953 CD GLN A 59 1.773 7.329 -15.304 1.00 3.32 C ATOM 954 OE1 GLN A 59 2.446 8.189 -14.736 1.00 3.68 O ATOM 955 NE2 GLN A 59 1.325 7.475 -16.546 1.00 3.73 N ATOM 0 H GLN A 59 3.206 5.224 -15.658 1.00 2.88 H new ATOM 0 HA GLN A 59 4.160 6.822 -13.650 1.00 2.75 H new ATOM 0 HB2 GLN A 59 2.077 4.748 -13.023 1.00 2.76 H new ATOM 0 HB3 GLN A 59 2.103 6.452 -12.618 1.00 2.76 H new ATOM 0 HG2 GLN A 59 1.471 5.211 -15.315 1.00 3.03 H new ATOM 0 HG3 GLN A 59 0.377 6.086 -14.263 1.00 3.03 H new ATOM 0 HE21 GLN A 59 0.770 6.736 -16.978 1.00 3.73 H new ATOM 0 HE22 GLN A 59 1.536 8.326 -17.067 1.00 3.73 H new ATOM 964 N TRP A 60 4.789 3.662 -13.113 1.00 2.38 N ATOM 965 CA TRP A 60 5.522 2.737 -12.266 1.00 2.18 C ATOM 966 C TRP A 60 6.928 3.238 -12.022 1.00 2.30 C ATOM 967 O TRP A 60 7.444 3.140 -10.910 1.00 2.20 O ATOM 968 CB TRP A 60 5.556 1.346 -12.883 1.00 2.24 C ATOM 969 CG TRP A 60 5.103 0.260 -11.955 1.00 2.03 C ATOM 970 CD1 TRP A 60 5.310 -1.074 -12.126 1.00 2.16 C ATOM 971 CD2 TRP A 60 4.368 0.400 -10.722 1.00 1.77 C ATOM 972 NE1 TRP A 60 4.736 -1.778 -11.099 1.00 1.99 N ATOM 973 CE2 TRP A 60 4.159 -0.898 -10.218 1.00 1.73 C ATOM 974 CE3 TRP A 60 3.862 1.488 -9.994 1.00 1.71 C ATOM 975 CZ2 TRP A 60 3.471 -1.136 -9.029 1.00 1.59 C ATOM 976 CZ3 TRP A 60 3.184 1.250 -8.817 1.00 1.61 C ATOM 977 CH2 TRP A 60 2.994 -0.052 -8.343 1.00 1.52 C ATOM 0 H TRP A 60 4.448 3.259 -13.986 1.00 2.38 H new ATOM 0 HA TRP A 60 5.004 2.674 -11.309 1.00 2.18 H new ATOM 0 HB2 TRP A 60 4.925 1.338 -13.772 1.00 2.24 H new ATOM 0 HB3 TRP A 60 6.573 1.129 -13.212 1.00 2.24 H new ATOM 0 HD1 TRP A 60 5.849 -1.515 -12.952 1.00 2.16 H new ATOM 0 HE1 TRP A 60 4.738 -2.794 -11.005 1.00 1.99 H new ATOM 0 HE3 TRP A 60 4.002 2.498 -10.351 1.00 1.71 H new ATOM 0 HZ2 TRP A 60 3.320 -2.140 -8.662 1.00 1.59 H new ATOM 0 HZ3 TRP A 60 2.793 2.083 -8.252 1.00 1.61 H new ATOM 0 HH2 TRP A 60 2.460 -0.205 -7.417 1.00 1.52 H new ATOM 988 N SER A 61 7.540 3.802 -13.056 1.00 2.57 N ATOM 989 CA SER A 61 8.878 4.344 -12.916 1.00 2.79 C ATOM 990 C SER A 61 8.904 5.263 -11.702 1.00 2.76 C ATOM 991 O SER A 61 9.875 5.302 -10.957 1.00 2.88 O ATOM 992 CB SER A 61 9.289 5.108 -14.176 1.00 3.13 C ATOM 993 OG SER A 61 10.699 5.141 -14.315 1.00 3.47 O ATOM 0 H SER A 61 7.135 3.894 -13.987 1.00 2.57 H new ATOM 0 HA SER A 61 9.589 3.530 -12.779 1.00 2.79 H new ATOM 0 HB2 SER A 61 8.845 4.636 -15.052 1.00 3.13 H new ATOM 0 HB3 SER A 61 8.901 6.126 -14.131 1.00 3.13 H new ATOM 0 HG SER A 61 10.936 5.633 -15.128 1.00 3.47 H new ATOM 999 N MET A 62 7.796 5.971 -11.489 1.00 2.70 N ATOM 1000 CA MET A 62 7.670 6.857 -10.340 1.00 2.78 C ATOM 1001 C MET A 62 7.796 6.044 -9.060 1.00 2.55 C ATOM 1002 O MET A 62 8.692 6.280 -8.252 1.00 2.69 O ATOM 1003 CB MET A 62 6.329 7.593 -10.367 1.00 2.90 C ATOM 1004 CG MET A 62 6.020 8.247 -11.704 1.00 3.03 C ATOM 1005 SD MET A 62 4.399 9.033 -11.730 1.00 3.32 S ATOM 1006 CE MET A 62 3.393 7.761 -10.971 1.00 3.16 C ATOM 0 H MET A 62 6.977 5.947 -12.096 1.00 2.70 H new ATOM 0 HA MET A 62 8.465 7.601 -10.379 1.00 2.78 H new ATOM 0 HB2 MET A 62 5.533 6.889 -10.124 1.00 2.90 H new ATOM 0 HB3 MET A 62 6.328 8.357 -9.589 1.00 2.90 H new ATOM 0 HG2 MET A 62 6.785 8.991 -11.926 1.00 3.03 H new ATOM 0 HG3 MET A 62 6.068 7.496 -12.492 1.00 3.03 H new ATOM 0 HE1 MET A 62 2.341 7.955 -11.182 1.00 3.16 H new ATOM 0 HE2 MET A 62 3.671 6.788 -11.375 1.00 3.16 H new ATOM 0 HE3 MET A 62 3.553 7.765 -9.893 1.00 3.16 H new ATOM 1016 N VAL A 63 6.915 5.053 -8.901 1.00 2.25 N ATOM 1017 CA VAL A 63 6.964 4.176 -7.733 1.00 2.03 C ATOM 1018 C VAL A 63 8.317 3.471 -7.714 1.00 2.05 C ATOM 1019 O VAL A 63 9.197 3.783 -6.904 1.00 2.24 O ATOM 1020 CB VAL A 63 5.829 3.114 -7.759 1.00 1.75 C ATOM 1021 CG1 VAL A 63 5.930 2.171 -6.575 1.00 1.54 C ATOM 1022 CG2 VAL A 63 4.459 3.763 -7.768 1.00 1.92 C ATOM 0 H VAL A 63 6.167 4.841 -9.561 1.00 2.25 H new ATOM 0 HA VAL A 63 6.827 4.783 -6.838 1.00 2.03 H new ATOM 0 HB VAL A 63 5.954 2.544 -8.680 1.00 1.75 H new ATOM 0 HG11 VAL A 63 5.122 1.440 -6.622 1.00 1.54 H new ATOM 0 HG12 VAL A 63 6.889 1.654 -6.602 1.00 1.54 H new ATOM 0 HG13 VAL A 63 5.851 2.740 -5.649 1.00 1.54 H new ATOM 0 HG21 VAL A 63 3.690 2.990 -7.786 1.00 1.92 H new ATOM 0 HG22 VAL A 63 4.339 4.373 -6.872 1.00 1.92 H new ATOM 0 HG23 VAL A 63 4.361 4.393 -8.652 1.00 1.92 H new ATOM 1032 N ALA A 64 8.465 2.526 -8.634 1.00 1.99 N ATOM 1033 CA ALA A 64 9.696 1.754 -8.786 1.00 2.17 C ATOM 1034 C ALA A 64 10.968 2.598 -8.605 1.00 2.49 C ATOM 1035 O ALA A 64 11.926 2.144 -7.988 1.00 2.65 O ATOM 1036 CB ALA A 64 9.719 1.104 -10.163 1.00 2.33 C ATOM 0 H ALA A 64 7.734 2.271 -9.298 1.00 1.99 H new ATOM 0 HA ALA A 64 9.696 1.002 -7.997 1.00 2.17 H new ATOM 0 HB1 ALA A 64 10.637 0.528 -10.278 1.00 2.33 H new ATOM 0 HB2 ALA A 64 8.859 0.442 -10.267 1.00 2.33 H new ATOM 0 HB3 ALA A 64 9.677 1.877 -10.931 1.00 2.33 H new ATOM 1042 N GLN A 65 11.002 3.806 -9.164 1.00 2.65 N ATOM 1043 CA GLN A 65 12.205 4.641 -9.050 1.00 3.00 C ATOM 1044 C GLN A 65 12.183 5.549 -7.822 1.00 3.07 C ATOM 1045 O GLN A 65 13.129 6.302 -7.593 1.00 3.35 O ATOM 1046 CB GLN A 65 12.419 5.483 -10.310 1.00 3.22 C ATOM 1047 CG GLN A 65 12.405 4.670 -11.596 1.00 3.59 C ATOM 1048 CD GLN A 65 13.755 4.647 -12.288 1.00 4.14 C ATOM 1049 OE1 GLN A 65 14.611 3.819 -11.976 1.00 4.41 O ATOM 1050 NE2 GLN A 65 13.952 5.560 -13.233 1.00 4.71 N ATOM 0 H GLN A 65 10.234 4.224 -9.689 1.00 2.65 H new ATOM 0 HA GLN A 65 13.039 3.949 -8.934 1.00 3.00 H new ATOM 0 HB2 GLN A 65 11.642 6.245 -10.364 1.00 3.22 H new ATOM 0 HB3 GLN A 65 13.373 6.005 -10.230 1.00 3.22 H new ATOM 0 HG2 GLN A 65 12.099 3.648 -11.372 1.00 3.59 H new ATOM 0 HG3 GLN A 65 11.660 5.085 -12.275 1.00 3.59 H new ATOM 0 HE21 GLN A 65 13.214 6.227 -13.459 1.00 4.71 H new ATOM 0 HE22 GLN A 65 14.841 5.594 -13.732 1.00 4.71 H new ATOM 1059 N ARG A 66 11.117 5.487 -7.032 1.00 2.88 N ATOM 1060 CA ARG A 66 11.025 6.324 -5.840 1.00 3.05 C ATOM 1061 C ARG A 66 11.711 5.669 -4.649 1.00 3.07 C ATOM 1062 O ARG A 66 12.415 6.334 -3.887 1.00 3.38 O ATOM 1063 CB ARG A 66 9.570 6.630 -5.495 1.00 2.97 C ATOM 1064 CG ARG A 66 9.290 8.121 -5.376 1.00 3.36 C ATOM 1065 CD ARG A 66 9.157 8.553 -3.924 1.00 3.77 C ATOM 1066 NE ARG A 66 9.785 9.850 -3.681 1.00 4.31 N ATOM 1067 CZ ARG A 66 9.315 11.001 -4.156 1.00 4.78 C ATOM 1068 NH1 ARG A 66 8.215 11.021 -4.898 1.00 4.94 N ATOM 1069 NH2 ARG A 66 9.947 12.136 -3.889 1.00 5.42 N ATOM 0 H ARG A 66 10.316 4.876 -7.191 1.00 2.88 H new ATOM 0 HA ARG A 66 11.537 7.260 -6.063 1.00 3.05 H new ATOM 0 HB2 ARG A 66 8.923 6.204 -6.262 1.00 2.97 H new ATOM 0 HB3 ARG A 66 9.314 6.141 -4.555 1.00 2.97 H new ATOM 0 HG2 ARG A 66 10.095 8.682 -5.850 1.00 3.36 H new ATOM 0 HG3 ARG A 66 8.373 8.363 -5.913 1.00 3.36 H new ATOM 0 HD2 ARG A 66 8.102 8.605 -3.656 1.00 3.77 H new ATOM 0 HD3 ARG A 66 9.613 7.802 -3.279 1.00 3.77 H new ATOM 0 HE ARG A 66 10.633 9.875 -3.114 1.00 4.31 H new ATOM 0 HH11 ARG A 66 7.725 10.151 -5.107 1.00 4.94 H new ATOM 0 HH12 ARG A 66 7.860 11.906 -5.259 1.00 4.94 H new ATOM 0 HH21 ARG A 66 10.793 12.127 -3.320 1.00 5.42 H new ATOM 0 HH22 ARG A 66 9.587 13.018 -4.253 1.00 5.42 H new ATOM 1083 N LEU A 67 11.504 4.367 -4.483 1.00 2.80 N ATOM 1084 CA LEU A 67 12.114 3.646 -3.367 1.00 2.90 C ATOM 1085 C LEU A 67 13.501 3.115 -3.730 1.00 3.12 C ATOM 1086 O LEU A 67 13.993 2.170 -3.114 1.00 3.26 O ATOM 1087 CB LEU A 67 11.210 2.501 -2.908 1.00 2.65 C ATOM 1088 CG LEU A 67 11.135 1.305 -3.856 1.00 2.27 C ATOM 1089 CD1 LEU A 67 10.852 0.028 -3.081 1.00 2.61 C ATOM 1090 CD2 LEU A 67 10.068 1.536 -4.914 1.00 2.21 C ATOM 0 H LEU A 67 10.926 3.793 -5.097 1.00 2.80 H new ATOM 0 HA LEU A 67 12.233 4.353 -2.546 1.00 2.90 H new ATOM 0 HB2 LEU A 67 11.560 2.152 -1.937 1.00 2.65 H new ATOM 0 HB3 LEU A 67 10.203 2.892 -2.763 1.00 2.65 H new ATOM 0 HG LEU A 67 12.098 1.196 -4.355 1.00 2.27 H new ATOM 0 HD11 LEU A 67 10.802 -0.813 -3.772 1.00 2.61 H new ATOM 0 HD12 LEU A 67 11.650 -0.143 -2.358 1.00 2.61 H new ATOM 0 HD13 LEU A 67 9.901 0.124 -2.557 1.00 2.61 H new ATOM 0 HD21 LEU A 67 10.026 0.676 -5.582 1.00 2.21 H new ATOM 0 HD22 LEU A 67 9.100 1.668 -4.431 1.00 2.21 H new ATOM 0 HD23 LEU A 67 10.312 2.430 -5.488 1.00 2.21 H new ATOM 1102 N GLN A 68 14.131 3.736 -4.725 1.00 3.25 N ATOM 1103 CA GLN A 68 15.467 3.338 -5.163 1.00 3.55 C ATOM 1104 C GLN A 68 15.545 1.839 -5.442 1.00 3.47 C ATOM 1105 O GLN A 68 16.476 1.163 -5.004 1.00 3.77 O ATOM 1106 CB GLN A 68 16.505 3.729 -4.108 1.00 3.89 C ATOM 1107 CG GLN A 68 17.054 5.135 -4.286 1.00 4.36 C ATOM 1108 CD GLN A 68 17.762 5.646 -3.047 1.00 4.81 C ATOM 1109 OE1 GLN A 68 17.707 5.025 -1.985 1.00 5.18 O ATOM 1110 NE2 GLN A 68 18.433 6.785 -3.175 1.00 5.18 N ATOM 0 H GLN A 68 13.736 4.520 -5.245 1.00 3.25 H new ATOM 0 HA GLN A 68 15.681 3.862 -6.094 1.00 3.55 H new ATOM 0 HB2 GLN A 68 16.054 3.647 -3.119 1.00 3.89 H new ATOM 0 HB3 GLN A 68 17.331 3.018 -4.142 1.00 3.89 H new ATOM 0 HG2 GLN A 68 17.748 5.146 -5.127 1.00 4.36 H new ATOM 0 HG3 GLN A 68 16.237 5.811 -4.538 1.00 4.36 H new ATOM 0 HE21 GLN A 68 18.453 7.267 -4.074 1.00 5.18 H new ATOM 0 HE22 GLN A 68 18.929 7.178 -2.375 1.00 5.18 H new ATOM 1119 N ILE A 69 14.567 1.324 -6.179 1.00 3.15 N ATOM 1120 CA ILE A 69 14.537 -0.094 -6.519 1.00 3.14 C ATOM 1121 C ILE A 69 14.681 -0.303 -8.026 1.00 3.24 C ATOM 1122 O ILE A 69 15.300 -1.270 -8.470 1.00 3.67 O ATOM 1123 CB ILE A 69 13.237 -0.768 -6.022 1.00 2.81 C ATOM 1124 CG1 ILE A 69 13.179 -2.233 -6.462 1.00 2.90 C ATOM 1125 CG2 ILE A 69 12.020 -0.015 -6.529 1.00 2.49 C ATOM 1126 CD1 ILE A 69 14.422 -3.024 -6.114 1.00 3.34 C ATOM 0 H ILE A 69 13.787 1.865 -6.552 1.00 3.15 H new ATOM 0 HA ILE A 69 15.384 -0.560 -6.015 1.00 3.14 H new ATOM 0 HB ILE A 69 13.236 -0.739 -4.932 1.00 2.81 H new ATOM 0 HG12 ILE A 69 12.315 -2.708 -5.998 1.00 2.90 H new ATOM 0 HG13 ILE A 69 13.024 -2.273 -7.540 1.00 2.90 H new ATOM 0 HG21 ILE A 69 11.114 -0.503 -6.170 1.00 2.49 H new ATOM 0 HG22 ILE A 69 12.049 1.011 -6.163 1.00 2.49 H new ATOM 0 HG23 ILE A 69 12.022 -0.012 -7.619 1.00 2.49 H new ATOM 0 HD11 ILE A 69 14.307 -4.052 -6.457 1.00 3.34 H new ATOM 0 HD12 ILE A 69 15.288 -2.574 -6.600 1.00 3.34 H new ATOM 0 HD13 ILE A 69 14.568 -3.016 -5.034 1.00 3.34 H new ATOM 1138 N SER A 70 14.110 0.610 -8.808 1.00 3.13 N ATOM 1139 CA SER A 70 14.178 0.526 -10.266 1.00 3.28 C ATOM 1140 C SER A 70 13.833 -0.879 -10.752 1.00 3.19 C ATOM 1141 O SER A 70 14.403 -1.370 -11.725 1.00 3.48 O ATOM 1142 CB SER A 70 15.575 0.916 -10.755 1.00 3.75 C ATOM 1143 OG SER A 70 15.657 0.852 -12.168 1.00 4.02 O ATOM 0 H SER A 70 13.595 1.417 -8.457 1.00 3.13 H new ATOM 0 HA SER A 70 13.446 1.222 -10.677 1.00 3.28 H new ATOM 0 HB2 SER A 70 15.813 1.925 -10.419 1.00 3.75 H new ATOM 0 HB3 SER A 70 16.317 0.250 -10.314 1.00 3.75 H new ATOM 0 HG SER A 70 15.410 -0.047 -12.470 1.00 4.02 H new ATOM 1149 N ASP A 71 12.899 -1.520 -10.059 1.00 2.87 N ATOM 1150 CA ASP A 71 12.476 -2.870 -10.407 1.00 2.84 C ATOM 1151 C ASP A 71 10.953 -2.963 -10.438 1.00 2.53 C ATOM 1152 O ASP A 71 10.348 -3.578 -9.564 1.00 2.29 O ATOM 1153 CB ASP A 71 13.049 -3.866 -9.393 1.00 2.83 C ATOM 1154 CG ASP A 71 13.562 -5.132 -10.050 1.00 3.20 C ATOM 1155 OD1 ASP A 71 14.270 -5.025 -11.073 1.00 3.50 O ATOM 1156 OD2 ASP A 71 13.256 -6.231 -9.541 1.00 3.61 O ATOM 0 H ASP A 71 12.419 -1.124 -9.250 1.00 2.87 H new ATOM 0 HA ASP A 71 12.853 -3.114 -11.400 1.00 2.84 H new ATOM 0 HB2 ASP A 71 13.861 -3.392 -8.842 1.00 2.83 H new ATOM 0 HB3 ASP A 71 12.278 -4.124 -8.667 1.00 2.83 H new ATOM 1161 N TYR A 72 10.345 -2.337 -11.453 1.00 2.58 N ATOM 1162 CA TYR A 72 8.884 -2.314 -11.624 1.00 2.37 C ATOM 1163 C TYR A 72 8.221 -3.629 -11.213 1.00 2.29 C ATOM 1164 O TYR A 72 7.065 -3.646 -10.783 1.00 2.06 O ATOM 1165 CB TYR A 72 8.523 -1.985 -13.075 1.00 2.62 C ATOM 1166 CG TYR A 72 9.526 -2.490 -14.088 1.00 3.07 C ATOM 1167 CD1 TYR A 72 9.507 -3.812 -14.515 1.00 3.59 C ATOM 1168 CD2 TYR A 72 10.494 -1.644 -14.616 1.00 3.49 C ATOM 1169 CE1 TYR A 72 10.423 -4.276 -15.440 1.00 4.15 C ATOM 1170 CE2 TYR A 72 11.413 -2.101 -15.542 1.00 4.04 C ATOM 1171 CZ TYR A 72 11.373 -3.417 -15.949 1.00 4.24 C ATOM 1172 OH TYR A 72 12.287 -3.876 -16.870 1.00 4.91 O ATOM 0 H TYR A 72 10.851 -1.831 -12.180 1.00 2.58 H new ATOM 0 HA TYR A 72 8.503 -1.536 -10.962 1.00 2.37 H new ATOM 0 HB2 TYR A 72 7.546 -2.413 -13.302 1.00 2.62 H new ATOM 0 HB3 TYR A 72 8.430 -0.904 -13.179 1.00 2.62 H new ATOM 0 HD1 TYR A 72 8.764 -4.488 -14.118 1.00 3.59 H new ATOM 0 HD2 TYR A 72 10.529 -0.613 -14.298 1.00 3.49 H new ATOM 0 HE1 TYR A 72 10.395 -5.306 -15.762 1.00 4.15 H new ATOM 0 HE2 TYR A 72 12.158 -1.431 -15.944 1.00 4.04 H new ATOM 0 HH TYR A 72 12.886 -3.145 -17.129 1.00 4.91 H new ATOM 1182 N GLN A 73 8.946 -4.727 -11.345 1.00 2.57 N ATOM 1183 CA GLN A 73 8.412 -6.024 -10.985 1.00 2.60 C ATOM 1184 C GLN A 73 8.252 -6.140 -9.465 1.00 2.33 C ATOM 1185 O GLN A 73 7.235 -6.638 -8.965 1.00 2.24 O ATOM 1186 CB GLN A 73 9.328 -7.110 -11.555 1.00 3.01 C ATOM 1187 CG GLN A 73 10.324 -7.694 -10.567 1.00 3.43 C ATOM 1188 CD GLN A 73 9.798 -8.950 -9.896 1.00 3.54 C ATOM 1189 OE1 GLN A 73 9.336 -8.808 -8.658 1.00 3.85 O flip ATOM 1190 NE2 GLN A 73 9.807 -10.033 -10.482 1.00 3.35 N flip ATOM 0 H GLN A 73 9.903 -4.744 -11.698 1.00 2.57 H new ATOM 0 HA GLN A 73 7.417 -6.151 -11.412 1.00 2.60 H new ATOM 0 HB2 GLN A 73 8.709 -7.918 -11.945 1.00 3.01 H new ATOM 0 HB3 GLN A 73 9.878 -6.694 -12.399 1.00 3.01 H new ATOM 0 HG2 GLN A 73 11.255 -7.924 -11.085 1.00 3.43 H new ATOM 0 HG3 GLN A 73 10.558 -6.949 -9.807 1.00 3.43 H new ATOM 0 HE21 GLN A 73 10.171 -10.095 -11.433 1.00 3.35 H new ATOM 0 HE22 GLN A 73 9.450 -10.868 -10.017 1.00 3.35 H new ATOM 1199 N GLN A 74 9.239 -5.641 -8.727 1.00 2.24 N ATOM 1200 CA GLN A 74 9.179 -5.668 -7.279 1.00 2.02 C ATOM 1201 C GLN A 74 8.043 -4.787 -6.821 1.00 1.66 C ATOM 1202 O GLN A 74 7.442 -5.020 -5.776 1.00 1.50 O ATOM 1203 CB GLN A 74 10.498 -5.192 -6.667 1.00 2.13 C ATOM 1204 CG GLN A 74 11.446 -6.324 -6.308 1.00 2.56 C ATOM 1205 CD GLN A 74 11.010 -7.075 -5.065 1.00 2.88 C ATOM 1206 OE1 GLN A 74 9.834 -7.071 -4.703 1.00 3.20 O ATOM 1207 NE2 GLN A 74 11.960 -7.725 -4.402 1.00 3.45 N ATOM 0 H GLN A 74 10.084 -5.216 -9.110 1.00 2.24 H new ATOM 0 HA GLN A 74 9.010 -6.693 -6.948 1.00 2.02 H new ATOM 0 HB2 GLN A 74 10.994 -4.523 -7.370 1.00 2.13 H new ATOM 0 HB3 GLN A 74 10.284 -4.611 -5.770 1.00 2.13 H new ATOM 0 HG2 GLN A 74 11.510 -7.019 -7.145 1.00 2.56 H new ATOM 0 HG3 GLN A 74 12.446 -5.920 -6.152 1.00 2.56 H new ATOM 0 HE21 GLN A 74 12.923 -7.702 -4.737 1.00 3.45 H new ATOM 0 HE22 GLN A 74 11.726 -8.247 -3.558 1.00 3.45 H new ATOM 1216 N LEU A 75 7.747 -3.775 -7.628 1.00 1.60 N ATOM 1217 CA LEU A 75 6.683 -2.856 -7.329 1.00 1.37 C ATOM 1218 C LEU A 75 5.378 -3.584 -7.164 1.00 1.33 C ATOM 1219 O LEU A 75 4.830 -3.636 -6.072 1.00 1.23 O ATOM 1220 CB LEU A 75 6.592 -1.808 -8.403 1.00 1.50 C ATOM 1221 CG LEU A 75 7.724 -0.814 -8.337 1.00 1.62 C ATOM 1222 CD1 LEU A 75 7.697 -0.111 -6.998 1.00 1.63 C ATOM 1223 CD2 LEU A 75 9.059 -1.503 -8.527 1.00 1.89 C ATOM 0 H LEU A 75 8.240 -3.579 -8.499 1.00 1.60 H new ATOM 0 HA LEU A 75 6.902 -2.360 -6.384 1.00 1.37 H new ATOM 0 HB2 LEU A 75 6.594 -2.292 -9.380 1.00 1.50 H new ATOM 0 HB3 LEU A 75 5.643 -1.280 -8.311 1.00 1.50 H new ATOM 0 HG LEU A 75 7.597 -0.087 -9.139 1.00 1.62 H new ATOM 0 HD11 LEU A 75 8.515 0.608 -6.948 1.00 1.63 H new ATOM 0 HD12 LEU A 75 6.747 0.411 -6.880 1.00 1.63 H new ATOM 0 HD13 LEU A 75 7.810 -0.844 -6.200 1.00 1.63 H new ATOM 0 HD21 LEU A 75 9.860 -0.765 -8.475 1.00 1.89 H new ATOM 0 HD22 LEU A 75 9.200 -2.247 -7.743 1.00 1.89 H new ATOM 0 HD23 LEU A 75 9.080 -1.994 -9.500 1.00 1.89 H new ATOM 1235 N GLU A 76 4.872 -4.185 -8.223 1.00 1.56 N ATOM 1236 CA GLU A 76 3.630 -4.918 -8.057 1.00 1.67 C ATOM 1237 C GLU A 76 3.789 -6.001 -7.001 1.00 1.69 C ATOM 1238 O GLU A 76 2.801 -6.509 -6.475 1.00 1.80 O ATOM 1239 CB GLU A 76 3.094 -5.537 -9.324 1.00 2.00 C ATOM 1240 CG GLU A 76 1.609 -5.802 -9.170 1.00 2.15 C ATOM 1241 CD GLU A 76 1.020 -6.593 -10.322 1.00 2.53 C ATOM 1242 OE1 GLU A 76 1.785 -7.310 -11.002 1.00 2.94 O ATOM 1243 OE2 GLU A 76 -0.205 -6.496 -10.544 1.00 2.85 O ATOM 0 H GLU A 76 5.274 -4.185 -9.160 1.00 1.56 H new ATOM 0 HA GLU A 76 2.900 -4.172 -7.743 1.00 1.67 H new ATOM 0 HB2 GLU A 76 3.269 -4.871 -10.169 1.00 2.00 H new ATOM 0 HB3 GLU A 76 3.620 -6.468 -9.537 1.00 2.00 H new ATOM 0 HG2 GLU A 76 1.438 -6.345 -8.240 1.00 2.15 H new ATOM 0 HG3 GLU A 76 1.084 -4.851 -9.085 1.00 2.15 H new ATOM 1250 N SER A 77 5.032 -6.308 -6.637 1.00 1.68 N ATOM 1251 CA SER A 77 5.269 -7.272 -5.584 1.00 1.78 C ATOM 1252 C SER A 77 4.825 -6.592 -4.308 1.00 1.54 C ATOM 1253 O SER A 77 4.275 -7.200 -3.392 1.00 1.66 O ATOM 1254 CB SER A 77 6.748 -7.660 -5.511 1.00 1.94 C ATOM 1255 OG SER A 77 6.901 -9.016 -5.128 1.00 2.34 O ATOM 0 H SER A 77 5.873 -5.907 -7.052 1.00 1.68 H new ATOM 0 HA SER A 77 4.722 -8.198 -5.760 1.00 1.78 H new ATOM 0 HB2 SER A 77 7.218 -7.497 -6.481 1.00 1.94 H new ATOM 0 HB3 SER A 77 7.261 -7.017 -4.796 1.00 1.94 H new ATOM 0 HG SER A 77 7.854 -9.240 -5.090 1.00 2.34 H new ATOM 1261 N ILE A 78 5.027 -5.285 -4.316 1.00 1.29 N ATOM 1262 CA ILE A 78 4.628 -4.427 -3.236 1.00 1.18 C ATOM 1263 C ILE A 78 3.127 -4.276 -3.248 1.00 1.31 C ATOM 1264 O ILE A 78 2.432 -4.553 -2.269 1.00 1.48 O ATOM 1265 CB ILE A 78 5.250 -2.998 -3.380 1.00 1.13 C ATOM 1266 CG1 ILE A 78 4.294 -2.019 -4.102 1.00 1.27 C ATOM 1267 CG2 ILE A 78 6.565 -3.030 -4.119 1.00 1.52 C ATOM 1268 CD1 ILE A 78 4.307 -0.635 -3.524 1.00 1.96 C ATOM 0 H ILE A 78 5.479 -4.793 -5.087 1.00 1.29 H new ATOM 0 HA ILE A 78 4.976 -4.880 -2.308 1.00 1.18 H new ATOM 0 HB ILE A 78 5.419 -2.643 -2.363 1.00 1.13 H new ATOM 0 HG12 ILE A 78 4.568 -1.967 -5.156 1.00 1.27 H new ATOM 0 HG13 ILE A 78 3.279 -2.414 -4.056 1.00 1.27 H new ATOM 0 HG21 ILE A 78 6.963 -2.018 -4.197 1.00 1.52 H new ATOM 0 HG22 ILE A 78 7.272 -3.657 -3.576 1.00 1.52 H new ATOM 0 HG23 ILE A 78 6.411 -3.438 -5.118 1.00 1.52 H new ATOM 0 HD11 ILE A 78 3.614 -0.002 -4.079 1.00 1.96 H new ATOM 0 HD12 ILE A 78 4.004 -0.675 -2.478 1.00 1.96 H new ATOM 0 HD13 ILE A 78 5.313 -0.221 -3.595 1.00 1.96 H new ATOM 1280 N TYR A 79 2.657 -3.787 -4.387 1.00 1.35 N ATOM 1281 CA TYR A 79 1.270 -3.512 -4.590 1.00 1.63 C ATOM 1282 C TYR A 79 0.461 -4.763 -4.473 1.00 1.84 C ATOM 1283 O TYR A 79 -0.386 -4.897 -3.595 1.00 2.07 O ATOM 1284 CB TYR A 79 1.064 -2.850 -5.958 1.00 1.79 C ATOM 1285 CG TYR A 79 -0.261 -2.124 -6.104 1.00 2.39 C ATOM 1286 CD1 TYR A 79 -1.425 -2.623 -5.534 1.00 3.03 C ATOM 1287 CD2 TYR A 79 -0.348 -0.938 -6.824 1.00 2.96 C ATOM 1288 CE1 TYR A 79 -2.631 -1.968 -5.675 1.00 3.75 C ATOM 1289 CE2 TYR A 79 -1.555 -0.278 -6.969 1.00 3.68 C ATOM 1290 CZ TYR A 79 -2.691 -0.797 -6.393 1.00 3.93 C ATOM 1291 OH TYR A 79 -3.892 -0.143 -6.536 1.00 4.76 O ATOM 0 H TYR A 79 3.245 -3.574 -5.193 1.00 1.35 H new ATOM 0 HA TYR A 79 0.930 -2.823 -3.817 1.00 1.63 H new ATOM 0 HB2 TYR A 79 1.875 -2.142 -6.133 1.00 1.79 H new ATOM 0 HB3 TYR A 79 1.135 -3.613 -6.733 1.00 1.79 H new ATOM 0 HD1 TYR A 79 -1.385 -3.542 -4.969 1.00 3.03 H new ATOM 0 HD2 TYR A 79 0.541 -0.525 -7.277 1.00 2.96 H new ATOM 0 HE1 TYR A 79 -3.524 -2.373 -5.223 1.00 3.75 H new ATOM 0 HE2 TYR A 79 -1.605 0.642 -7.533 1.00 3.68 H new ATOM 0 HH TYR A 79 -3.896 0.352 -7.382 1.00 4.76 H new ATOM 1301 N PHE A 80 0.717 -5.660 -5.381 1.00 1.90 N ATOM 1302 CA PHE A 80 -0.028 -6.904 -5.429 1.00 2.27 C ATOM 1303 C PHE A 80 0.431 -7.975 -4.456 1.00 2.31 C ATOM 1304 O PHE A 80 -0.414 -8.644 -3.851 1.00 2.60 O ATOM 1305 CB PHE A 80 -0.011 -7.477 -6.849 1.00 2.54 C ATOM 1306 CG PHE A 80 -1.097 -8.489 -7.122 1.00 2.97 C ATOM 1307 CD1 PHE A 80 -1.165 -9.674 -6.404 1.00 3.38 C ATOM 1308 CD2 PHE A 80 -2.048 -8.253 -8.104 1.00 3.42 C ATOM 1309 CE1 PHE A 80 -2.160 -10.600 -6.658 1.00 3.80 C ATOM 1310 CE2 PHE A 80 -3.044 -9.176 -8.361 1.00 3.85 C ATOM 1311 CZ PHE A 80 -3.100 -10.350 -7.638 1.00 3.87 C ATOM 0 H PHE A 80 1.433 -5.562 -6.101 1.00 1.90 H new ATOM 0 HA PHE A 80 -1.037 -6.633 -5.120 1.00 2.27 H new ATOM 0 HB2 PHE A 80 -0.107 -6.657 -7.561 1.00 2.54 H new ATOM 0 HB3 PHE A 80 0.958 -7.943 -7.029 1.00 2.54 H new ATOM 0 HD1 PHE A 80 -0.432 -9.876 -5.637 1.00 3.38 H new ATOM 0 HD2 PHE A 80 -2.010 -7.337 -8.675 1.00 3.42 H new ATOM 0 HE1 PHE A 80 -2.202 -11.518 -6.090 1.00 3.80 H new ATOM 0 HE2 PHE A 80 -3.779 -8.978 -9.128 1.00 3.85 H new ATOM 0 HZ PHE A 80 -3.878 -11.072 -7.838 1.00 3.87 H new ATOM 1321 N ARG A 81 1.738 -8.201 -4.350 1.00 2.15 N ATOM 1322 CA ARG A 81 2.220 -9.297 -3.524 1.00 2.35 C ATOM 1323 C ARG A 81 2.247 -9.022 -2.029 1.00 2.21 C ATOM 1324 O ARG A 81 2.467 -9.948 -1.247 1.00 2.41 O ATOM 1325 CB ARG A 81 3.578 -9.770 -4.036 1.00 2.57 C ATOM 1326 CG ARG A 81 3.518 -10.423 -5.418 1.00 3.30 C ATOM 1327 CD ARG A 81 2.430 -9.817 -6.309 1.00 3.60 C ATOM 1328 NE ARG A 81 2.369 -10.463 -7.617 1.00 4.20 N ATOM 1329 CZ ARG A 81 3.189 -10.176 -8.626 1.00 4.76 C ATOM 1330 NH1 ARG A 81 4.140 -9.262 -8.478 1.00 5.03 N ATOM 1331 NH2 ARG A 81 3.058 -10.805 -9.785 1.00 5.38 N ATOM 0 H ARG A 81 2.464 -7.654 -4.814 1.00 2.15 H new ATOM 0 HA ARG A 81 1.484 -10.095 -3.626 1.00 2.35 H new ATOM 0 HB2 ARG A 81 4.259 -8.920 -4.074 1.00 2.57 H new ATOM 0 HB3 ARG A 81 3.997 -10.482 -3.325 1.00 2.57 H new ATOM 0 HG2 ARG A 81 4.485 -10.316 -5.909 1.00 3.30 H new ATOM 0 HG3 ARG A 81 3.335 -11.491 -5.303 1.00 3.30 H new ATOM 0 HD2 ARG A 81 1.463 -9.910 -5.814 1.00 3.60 H new ATOM 0 HD3 ARG A 81 2.621 -8.752 -6.440 1.00 3.60 H new ATOM 0 HE ARG A 81 1.656 -11.177 -7.767 1.00 4.20 H new ATOM 0 HH11 ARG A 81 4.246 -8.775 -7.588 1.00 5.03 H new ATOM 0 HH12 ARG A 81 4.765 -9.046 -9.254 1.00 5.03 H new ATOM 0 HH21 ARG A 81 2.329 -11.509 -9.904 1.00 5.38 H new ATOM 0 HH22 ARG A 81 3.686 -10.585 -10.558 1.00 5.38 H new ATOM 1345 N ILE A 82 2.000 -7.791 -1.607 1.00 2.03 N ATOM 1346 CA ILE A 82 1.984 -7.513 -0.181 1.00 2.12 C ATOM 1347 C ILE A 82 0.599 -7.066 0.274 1.00 2.25 C ATOM 1348 O ILE A 82 0.107 -7.529 1.300 1.00 2.49 O ATOM 1349 CB ILE A 82 3.059 -6.484 0.220 1.00 2.16 C ATOM 1350 CG1 ILE A 82 4.435 -7.016 -0.166 1.00 2.25 C ATOM 1351 CG2 ILE A 82 3.013 -6.212 1.718 1.00 2.45 C ATOM 1352 CD1 ILE A 82 5.543 -6.000 0.004 1.00 2.60 C ATOM 0 H ILE A 82 1.813 -6.991 -2.211 1.00 2.03 H new ATOM 0 HA ILE A 82 2.226 -8.444 0.331 1.00 2.12 H new ATOM 0 HB ILE A 82 2.864 -5.549 -0.305 1.00 2.16 H new ATOM 0 HG12 ILE A 82 4.660 -7.893 0.441 1.00 2.25 H new ATOM 0 HG13 ILE A 82 4.411 -7.345 -1.205 1.00 2.25 H new ATOM 0 HG21 ILE A 82 3.780 -5.483 1.979 1.00 2.45 H new ATOM 0 HG22 ILE A 82 2.032 -5.819 1.986 1.00 2.45 H new ATOM 0 HG23 ILE A 82 3.194 -7.139 2.262 1.00 2.45 H new ATOM 0 HD11 ILE A 82 6.494 -6.446 -0.289 1.00 2.60 H new ATOM 0 HD12 ILE A 82 5.341 -5.132 -0.624 1.00 2.60 H new ATOM 0 HD13 ILE A 82 5.594 -5.689 1.047 1.00 2.60 H new ATOM 1364 N LEU A 83 -0.047 -6.192 -0.496 1.00 2.23 N ATOM 1365 CA LEU A 83 -1.383 -5.731 -0.135 1.00 2.50 C ATOM 1366 C LEU A 83 -2.127 -5.167 -1.336 1.00 2.53 C ATOM 1367 O LEU A 83 -2.571 -4.024 -1.294 1.00 2.64 O ATOM 1368 CB LEU A 83 -1.312 -4.659 0.957 1.00 2.78 C ATOM 1369 CG LEU A 83 -0.521 -3.395 0.603 1.00 2.91 C ATOM 1370 CD1 LEU A 83 -0.648 -2.365 1.715 1.00 3.04 C ATOM 1371 CD2 LEU A 83 0.942 -3.721 0.343 1.00 3.51 C ATOM 0 H LEU A 83 0.326 -5.796 -1.359 1.00 2.23 H new ATOM 0 HA LEU A 83 -1.927 -6.599 0.238 1.00 2.50 H new ATOM 0 HB2 LEU A 83 -2.329 -4.367 1.219 1.00 2.78 H new ATOM 0 HB3 LEU A 83 -0.869 -5.104 1.848 1.00 2.78 H new ATOM 0 HG LEU A 83 -0.940 -2.976 -0.312 1.00 2.91 H new ATOM 0 HD11 LEU A 83 -0.081 -1.472 1.450 1.00 3.04 H new ATOM 0 HD12 LEU A 83 -1.697 -2.102 1.849 1.00 3.04 H new ATOM 0 HD13 LEU A 83 -0.257 -2.781 2.643 1.00 3.04 H new ATOM 0 HD21 LEU A 83 1.480 -2.806 0.094 1.00 3.51 H new ATOM 0 HD22 LEU A 83 1.379 -4.168 1.236 1.00 3.51 H new ATOM 0 HD23 LEU A 83 1.016 -4.423 -0.488 1.00 3.51 H new ATOM 1383 N LEU A 84 -2.276 -5.946 -2.412 1.00 2.65 N ATOM 1384 CA LEU A 84 -2.975 -5.434 -3.589 1.00 2.95 C ATOM 1385 C LEU A 84 -4.298 -4.752 -3.194 1.00 3.21 C ATOM 1386 O LEU A 84 -4.441 -3.536 -3.324 1.00 3.27 O ATOM 1387 CB LEU A 84 -3.201 -6.548 -4.623 1.00 3.27 C ATOM 1388 CG LEU A 84 -3.507 -6.036 -6.023 1.00 3.64 C ATOM 1389 CD1 LEU A 84 -4.677 -5.105 -5.925 1.00 3.50 C ATOM 1390 CD2 LEU A 84 -2.314 -5.312 -6.632 1.00 3.97 C ATOM 0 H LEU A 84 -1.933 -6.903 -2.491 1.00 2.65 H new ATOM 0 HA LEU A 84 -2.343 -4.677 -4.054 1.00 2.95 H new ATOM 0 HB2 LEU A 84 -2.313 -7.179 -4.663 1.00 3.27 H new ATOM 0 HB3 LEU A 84 -4.025 -7.179 -4.289 1.00 3.27 H new ATOM 0 HG LEU A 84 -3.733 -6.881 -6.673 1.00 3.64 H new ATOM 0 HD11 LEU A 84 -4.920 -4.721 -6.916 1.00 3.50 H new ATOM 0 HD12 LEU A 84 -5.536 -5.642 -5.523 1.00 3.50 H new ATOM 0 HD13 LEU A 84 -4.427 -4.274 -5.265 1.00 3.50 H new ATOM 0 HD21 LEU A 84 -2.572 -4.962 -7.631 1.00 3.97 H new ATOM 0 HD22 LEU A 84 -2.047 -4.460 -6.006 1.00 3.97 H new ATOM 0 HD23 LEU A 84 -1.467 -5.995 -6.695 1.00 3.97 H new ATOM 1402 N PRO A 85 -5.265 -5.529 -2.696 1.00 3.48 N ATOM 1403 CA PRO A 85 -6.580 -5.053 -2.254 1.00 3.85 C ATOM 1404 C PRO A 85 -6.532 -3.708 -1.526 1.00 3.77 C ATOM 1405 O PRO A 85 -7.027 -2.704 -2.037 1.00 4.00 O ATOM 1406 CB PRO A 85 -7.022 -6.171 -1.278 1.00 4.12 C ATOM 1407 CG PRO A 85 -5.845 -7.100 -1.192 1.00 3.83 C ATOM 1408 CD PRO A 85 -5.172 -6.958 -2.508 1.00 3.56 C ATOM 0 HA PRO A 85 -7.251 -4.878 -3.095 1.00 3.85 H new ATOM 0 HB2 PRO A 85 -7.275 -5.763 -0.299 1.00 4.12 H new ATOM 0 HB3 PRO A 85 -7.908 -6.689 -1.646 1.00 4.12 H new ATOM 0 HG2 PRO A 85 -5.180 -6.826 -0.373 1.00 3.83 H new ATOM 0 HG3 PRO A 85 -6.161 -8.128 -1.015 1.00 3.83 H new ATOM 0 HD2 PRO A 85 -4.140 -7.307 -2.486 1.00 3.56 H new ATOM 0 HD3 PRO A 85 -5.680 -7.514 -3.296 1.00 3.56 H new ATOM 1416 N TYR A 86 -5.949 -3.699 -0.327 1.00 3.54 N ATOM 1417 CA TYR A 86 -5.850 -2.483 0.489 1.00 3.58 C ATOM 1418 C TYR A 86 -5.532 -1.248 -0.347 1.00 3.57 C ATOM 1419 O TYR A 86 -6.292 -0.280 -0.353 1.00 3.93 O ATOM 1420 CB TYR A 86 -4.792 -2.665 1.576 1.00 3.39 C ATOM 1421 CG TYR A 86 -5.388 -2.831 2.953 1.00 3.71 C ATOM 1422 CD1 TYR A 86 -5.991 -1.760 3.599 1.00 4.12 C ATOM 1423 CD2 TYR A 86 -5.357 -4.057 3.602 1.00 4.10 C ATOM 1424 CE1 TYR A 86 -6.547 -1.906 4.853 1.00 4.66 C ATOM 1425 CE2 TYR A 86 -5.910 -4.211 4.859 1.00 4.65 C ATOM 1426 CZ TYR A 86 -6.504 -3.133 5.480 1.00 4.82 C ATOM 1427 OH TYR A 86 -7.057 -3.283 6.731 1.00 5.53 O ATOM 0 H TYR A 86 -5.535 -4.525 0.105 1.00 3.54 H new ATOM 0 HA TYR A 86 -6.825 -2.322 0.948 1.00 3.58 H new ATOM 0 HB2 TYR A 86 -4.183 -3.538 1.341 1.00 3.39 H new ATOM 0 HB3 TYR A 86 -4.126 -1.803 1.575 1.00 3.39 H new ATOM 0 HD1 TYR A 86 -6.025 -0.797 3.112 1.00 4.12 H new ATOM 0 HD2 TYR A 86 -4.894 -4.904 3.117 1.00 4.10 H new ATOM 0 HE1 TYR A 86 -7.014 -1.063 5.341 1.00 4.66 H new ATOM 0 HE2 TYR A 86 -5.877 -5.171 5.352 1.00 4.65 H new ATOM 0 HH TYR A 86 -6.737 -2.567 7.318 1.00 5.53 H new ATOM 1437 N GLU A 87 -4.408 -1.285 -1.043 1.00 3.28 N ATOM 1438 CA GLU A 87 -3.987 -0.162 -1.877 1.00 3.40 C ATOM 1439 C GLU A 87 -5.097 0.262 -2.833 1.00 3.74 C ATOM 1440 O GLU A 87 -5.476 1.430 -2.879 1.00 4.03 O ATOM 1441 CB GLU A 87 -2.734 -0.525 -2.673 1.00 3.19 C ATOM 1442 CG GLU A 87 -1.819 -1.503 -1.960 1.00 2.92 C ATOM 1443 CD GLU A 87 -0.379 -1.391 -2.414 1.00 3.08 C ATOM 1444 OE1 GLU A 87 -0.150 -0.930 -3.552 1.00 3.39 O ATOM 1445 OE2 GLU A 87 0.521 -1.765 -1.633 1.00 3.39 O ATOM 0 H GLU A 87 -3.768 -2.079 -1.050 1.00 3.28 H new ATOM 0 HA GLU A 87 -3.762 0.674 -1.215 1.00 3.40 H new ATOM 0 HB2 GLU A 87 -3.034 -0.953 -3.630 1.00 3.19 H new ATOM 0 HB3 GLU A 87 -2.177 0.386 -2.892 1.00 3.19 H new ATOM 0 HG2 GLU A 87 -1.872 -1.327 -0.886 1.00 2.92 H new ATOM 0 HG3 GLU A 87 -2.173 -2.519 -2.134 1.00 2.92 H new ATOM 1452 N ARG A 88 -5.614 -0.696 -3.594 1.00 3.78 N ATOM 1453 CA ARG A 88 -6.678 -0.419 -4.551 1.00 4.18 C ATOM 1454 C ARG A 88 -8.029 -0.256 -3.857 1.00 4.54 C ATOM 1455 O ARG A 88 -9.046 -0.029 -4.512 1.00 4.93 O ATOM 1456 CB ARG A 88 -6.761 -1.542 -5.586 1.00 4.20 C ATOM 1457 CG ARG A 88 -7.642 -1.207 -6.779 1.00 4.49 C ATOM 1458 CD ARG A 88 -8.929 -2.015 -6.768 1.00 4.80 C ATOM 1459 NE ARG A 88 -9.702 -1.831 -7.994 1.00 5.25 N ATOM 1460 CZ ARG A 88 -9.396 -2.403 -9.156 1.00 5.64 C ATOM 1461 NH1 ARG A 88 -8.335 -3.195 -9.255 1.00 5.72 N ATOM 1462 NH2 ARG A 88 -10.152 -2.182 -10.223 1.00 6.28 N ATOM 0 H ARG A 88 -5.314 -1.670 -3.567 1.00 3.78 H new ATOM 0 HA ARG A 88 -6.438 0.520 -5.050 1.00 4.18 H new ATOM 0 HB2 ARG A 88 -5.756 -1.773 -5.940 1.00 4.20 H new ATOM 0 HB3 ARG A 88 -7.144 -2.442 -5.104 1.00 4.20 H new ATOM 0 HG2 ARG A 88 -7.879 -0.143 -6.769 1.00 4.49 H new ATOM 0 HG3 ARG A 88 -7.096 -1.403 -7.702 1.00 4.49 H new ATOM 0 HD2 ARG A 88 -8.692 -3.072 -6.644 1.00 4.80 H new ATOM 0 HD3 ARG A 88 -9.534 -1.721 -5.910 1.00 4.80 H new ATOM 0 HE ARG A 88 -10.524 -1.229 -7.957 1.00 5.25 H new ATOM 0 HH11 ARG A 88 -7.750 -3.368 -8.438 1.00 5.72 H new ATOM 0 HH12 ARG A 88 -8.105 -3.631 -10.148 1.00 5.72 H new ATOM 0 HH21 ARG A 88 -10.968 -1.574 -10.153 1.00 6.28 H new ATOM 0 HH22 ARG A 88 -9.918 -2.620 -11.114 1.00 6.28 H new ATOM 1476 N HIS A 89 -8.041 -0.390 -2.533 1.00 4.49 N ATOM 1477 CA HIS A 89 -9.274 -0.274 -1.769 1.00 4.88 C ATOM 1478 C HIS A 89 -9.545 1.161 -1.311 1.00 5.06 C ATOM 1479 O HIS A 89 -10.627 1.698 -1.548 1.00 5.43 O ATOM 1480 CB HIS A 89 -9.228 -1.206 -0.555 1.00 4.95 C ATOM 1481 CG HIS A 89 -10.340 -2.208 -0.526 1.00 5.35 C ATOM 1482 ND1 HIS A 89 -11.580 -1.973 -1.083 1.00 5.75 N ATOM 1483 CD2 HIS A 89 -10.395 -3.456 -0.004 1.00 5.70 C ATOM 1484 CE1 HIS A 89 -12.349 -3.032 -0.904 1.00 6.17 C ATOM 1485 NE2 HIS A 89 -11.654 -3.945 -0.252 1.00 6.13 N ATOM 0 H HIS A 89 -7.211 -0.579 -1.971 1.00 4.49 H new ATOM 0 HA HIS A 89 -10.090 -0.565 -2.430 1.00 4.88 H new ATOM 0 HB2 HIS A 89 -8.274 -1.734 -0.549 1.00 4.95 H new ATOM 0 HB3 HIS A 89 -9.267 -0.606 0.354 1.00 4.95 H new ATOM 0 HD2 HIS A 89 -9.598 -3.971 0.511 1.00 5.70 H new ATOM 0 HE1 HIS A 89 -13.372 -3.133 -1.235 1.00 6.17 H new ATOM 0 HE2 HIS A 89 -11.997 -4.865 0.023 1.00 6.13 H new ATOM 1494 N MET A 90 -8.579 1.762 -0.620 1.00 4.95 N ATOM 1495 CA MET A 90 -8.750 3.118 -0.093 1.00 5.26 C ATOM 1496 C MET A 90 -8.451 4.198 -1.131 1.00 5.36 C ATOM 1497 O MET A 90 -7.671 5.116 -0.873 1.00 5.70 O ATOM 1498 CB MET A 90 -7.870 3.341 1.144 1.00 5.36 C ATOM 1499 CG MET A 90 -7.672 2.101 2.007 1.00 5.21 C ATOM 1500 SD MET A 90 -5.935 1.767 2.358 1.00 4.93 S ATOM 1501 CE MET A 90 -5.213 1.966 0.731 1.00 4.44 C ATOM 0 H MET A 90 -7.675 1.337 -0.412 1.00 4.95 H new ATOM 0 HA MET A 90 -9.801 3.205 0.183 1.00 5.26 H new ATOM 0 HB2 MET A 90 -6.894 3.703 0.820 1.00 5.36 H new ATOM 0 HB3 MET A 90 -8.315 4.127 1.755 1.00 5.36 H new ATOM 0 HG2 MET A 90 -8.210 2.227 2.946 1.00 5.21 H new ATOM 0 HG3 MET A 90 -8.109 1.239 1.503 1.00 5.21 H new ATOM 0 HE1 MET A 90 -4.442 1.210 0.580 1.00 4.44 H new ATOM 0 HE2 MET A 90 -5.987 1.851 -0.027 1.00 4.44 H new ATOM 0 HE3 MET A 90 -4.770 2.958 0.649 1.00 4.44 H new ATOM 1511 N ILE A 91 -9.095 4.112 -2.288 1.00 5.25 N ATOM 1512 CA ILE A 91 -8.909 5.116 -3.329 1.00 5.50 C ATOM 1513 C ILE A 91 -10.218 5.375 -4.067 1.00 6.02 C ATOM 1514 O ILE A 91 -10.601 6.523 -4.291 1.00 6.46 O ATOM 1515 CB ILE A 91 -7.821 4.737 -4.361 1.00 5.32 C ATOM 1516 CG1 ILE A 91 -7.254 3.342 -4.102 1.00 4.96 C ATOM 1517 CG2 ILE A 91 -6.702 5.767 -4.351 1.00 5.60 C ATOM 1518 CD1 ILE A 91 -6.364 2.855 -5.225 1.00 4.84 C ATOM 0 H ILE A 91 -9.746 3.364 -2.529 1.00 5.25 H new ATOM 0 HA ILE A 91 -8.576 6.017 -2.813 1.00 5.50 H new ATOM 0 HB ILE A 91 -8.291 4.726 -5.344 1.00 5.32 H new ATOM 0 HG12 ILE A 91 -6.686 3.352 -3.172 1.00 4.96 H new ATOM 0 HG13 ILE A 91 -8.076 2.640 -3.965 1.00 4.96 H new ATOM 0 HG21 ILE A 91 -5.943 5.487 -5.082 1.00 5.60 H new ATOM 0 HG22 ILE A 91 -7.107 6.747 -4.605 1.00 5.60 H new ATOM 0 HG23 ILE A 91 -6.252 5.806 -3.359 1.00 5.60 H new ATOM 0 HD11 ILE A 91 -5.990 1.859 -4.987 1.00 4.84 H new ATOM 0 HD12 ILE A 91 -6.936 2.815 -6.152 1.00 4.84 H new ATOM 0 HD13 ILE A 91 -5.524 3.539 -5.346 1.00 4.84 H new ATOM 1530 N SER A 92 -10.898 4.298 -4.445 1.00 6.11 N ATOM 1531 CA SER A 92 -12.164 4.405 -5.161 1.00 6.74 C ATOM 1532 C SER A 92 -13.316 4.684 -4.202 1.00 6.65 C ATOM 1533 O SER A 92 -14.193 5.498 -4.490 1.00 7.19 O ATOM 1534 CB SER A 92 -12.439 3.122 -5.948 1.00 7.16 C ATOM 1535 OG SER A 92 -11.779 3.141 -7.201 1.00 7.84 O ATOM 0 H SER A 92 -10.594 3.341 -4.267 1.00 6.11 H new ATOM 0 HA SER A 92 -12.087 5.241 -5.856 1.00 6.74 H new ATOM 0 HB2 SER A 92 -12.106 2.259 -5.371 1.00 7.16 H new ATOM 0 HB3 SER A 92 -13.512 3.008 -6.101 1.00 7.16 H new ATOM 0 HG SER A 92 -11.969 2.310 -7.684 1.00 7.84 H new ATOM 1541 N GLN A 93 -13.310 4.002 -3.062 1.00 6.19 N ATOM 1542 CA GLN A 93 -14.360 4.177 -2.062 1.00 6.36 C ATOM 1543 C GLN A 93 -14.120 3.287 -0.846 1.00 6.11 C ATOM 1544 O GLN A 93 -14.252 3.730 0.295 1.00 6.31 O ATOM 1545 CB GLN A 93 -15.730 3.863 -2.671 1.00 6.82 C ATOM 1546 CG GLN A 93 -15.736 2.628 -3.558 1.00 7.19 C ATOM 1547 CD GLN A 93 -16.941 2.575 -4.477 1.00 7.92 C ATOM 1548 OE1 GLN A 93 -18.063 2.869 -4.065 1.00 8.31 O ATOM 1549 NE2 GLN A 93 -16.713 2.197 -5.729 1.00 8.38 N ATOM 0 H GLN A 93 -12.592 3.324 -2.807 1.00 6.19 H new ATOM 0 HA GLN A 93 -14.339 5.217 -1.735 1.00 6.36 H new ATOM 0 HB2 GLN A 93 -16.452 3.725 -1.866 1.00 6.82 H new ATOM 0 HB3 GLN A 93 -16.063 4.721 -3.255 1.00 6.82 H new ATOM 0 HG2 GLN A 93 -14.826 2.611 -4.157 1.00 7.19 H new ATOM 0 HG3 GLN A 93 -15.722 1.736 -2.932 1.00 7.19 H new ATOM 0 HE21 GLN A 93 -15.766 1.963 -6.027 1.00 8.38 H new ATOM 0 HE22 GLN A 93 -17.485 2.141 -6.393 1.00 8.38 H new ATOM 1558 N GLU A 94 -13.768 2.028 -1.097 1.00 5.99 N ATOM 1559 CA GLU A 94 -13.510 1.070 -0.027 1.00 6.05 C ATOM 1560 C GLU A 94 -14.767 0.752 0.768 1.00 5.88 C ATOM 1561 O GLU A 94 -14.703 0.154 1.842 1.00 6.00 O ATOM 1562 CB GLU A 94 -12.440 1.600 0.910 1.00 6.49 C ATOM 1563 CG GLU A 94 -11.268 0.660 1.030 1.00 6.62 C ATOM 1564 CD GLU A 94 -11.301 -0.164 2.302 1.00 7.47 C ATOM 1565 OE1 GLU A 94 -12.393 -0.302 2.893 1.00 8.01 O ATOM 1566 OE2 GLU A 94 -10.234 -0.671 2.708 1.00 7.85 O ATOM 0 H GLU A 94 -13.655 1.647 -2.037 1.00 5.99 H new ATOM 0 HA GLU A 94 -13.165 0.149 -0.497 1.00 6.05 H new ATOM 0 HB2 GLU A 94 -12.091 2.568 0.549 1.00 6.49 H new ATOM 0 HB3 GLU A 94 -12.873 1.765 1.897 1.00 6.49 H new ATOM 0 HG2 GLU A 94 -11.256 -0.009 0.170 1.00 6.62 H new ATOM 0 HG3 GLU A 94 -10.343 1.235 1.000 1.00 6.62 H new ATOM 1573 N GLY A 95 -15.901 1.153 0.234 1.00 5.98 N ATOM 1574 CA GLY A 95 -17.163 0.904 0.903 1.00 6.17 C ATOM 1575 C GLY A 95 -17.750 2.145 1.550 1.00 6.58 C ATOM 1576 O GLY A 95 -18.859 2.099 2.084 1.00 6.93 O ATOM 0 H GLY A 95 -15.977 1.649 -0.654 1.00 5.98 H new ATOM 0 HA2 GLY A 95 -17.877 0.505 0.182 1.00 6.17 H new ATOM 0 HA3 GLY A 95 -17.018 0.138 1.665 1.00 6.17 H new ATOM 1580 N ILE A 96 -17.012 3.257 1.496 1.00 6.87 N ATOM 1581 CA ILE A 96 -17.455 4.519 2.072 1.00 7.61 C ATOM 1582 C ILE A 96 -18.224 4.298 3.383 1.00 7.92 C ATOM 1583 O ILE A 96 -19.145 5.039 3.724 1.00 8.61 O ATOM 1584 CB ILE A 96 -18.305 5.276 1.037 1.00 8.27 C ATOM 1585 CG1 ILE A 96 -17.410 5.787 -0.092 1.00 8.19 C ATOM 1586 CG2 ILE A 96 -19.077 6.432 1.661 1.00 9.24 C ATOM 1587 CD1 ILE A 96 -18.179 6.283 -1.297 1.00 8.96 C ATOM 0 H ILE A 96 -16.095 3.303 1.052 1.00 6.87 H new ATOM 0 HA ILE A 96 -16.583 5.123 2.322 1.00 7.61 H new ATOM 0 HB ILE A 96 -19.039 4.577 0.637 1.00 8.27 H new ATOM 0 HG12 ILE A 96 -16.786 6.596 0.288 1.00 8.19 H new ATOM 0 HG13 ILE A 96 -16.740 4.986 -0.404 1.00 8.19 H new ATOM 0 HG21 ILE A 96 -19.662 6.936 0.892 1.00 9.24 H new ATOM 0 HG22 ILE A 96 -19.745 6.049 2.432 1.00 9.24 H new ATOM 0 HG23 ILE A 96 -18.377 7.139 2.106 1.00 9.24 H new ATOM 0 HD11 ILE A 96 -17.479 6.630 -2.057 1.00 8.96 H new ATOM 0 HD12 ILE A 96 -18.783 5.471 -1.703 1.00 8.96 H new ATOM 0 HD13 ILE A 96 -18.830 7.106 -1.000 1.00 8.96 H new ATOM 1599 N LYS A 97 -17.827 3.260 4.115 1.00 7.64 N ATOM 1600 CA LYS A 97 -18.461 2.921 5.386 1.00 8.16 C ATOM 1601 C LYS A 97 -17.498 2.162 6.294 1.00 7.88 C ATOM 1602 O LYS A 97 -17.909 1.533 7.269 1.00 8.43 O ATOM 1603 CB LYS A 97 -19.703 2.070 5.145 1.00 8.81 C ATOM 1604 CG LYS A 97 -20.803 2.786 4.378 1.00 9.54 C ATOM 1605 CD LYS A 97 -21.368 3.954 5.171 1.00 10.25 C ATOM 1606 CE LYS A 97 -22.442 4.693 4.388 1.00 10.83 C ATOM 1607 NZ LYS A 97 -23.662 4.934 5.209 1.00 11.32 N ATOM 0 H LYS A 97 -17.065 2.636 3.848 1.00 7.64 H new ATOM 0 HA LYS A 97 -18.745 3.852 5.876 1.00 8.16 H new ATOM 0 HB2 LYS A 97 -19.416 1.173 4.596 1.00 8.81 H new ATOM 0 HB3 LYS A 97 -20.099 1.742 6.106 1.00 8.81 H new ATOM 0 HG2 LYS A 97 -20.409 3.147 3.428 1.00 9.54 H new ATOM 0 HG3 LYS A 97 -21.602 2.083 4.145 1.00 9.54 H new ATOM 0 HD2 LYS A 97 -21.786 3.589 6.109 1.00 10.25 H new ATOM 0 HD3 LYS A 97 -20.564 4.644 5.427 1.00 10.25 H new ATOM 0 HE2 LYS A 97 -22.045 5.646 4.039 1.00 10.83 H new ATOM 0 HE3 LYS A 97 -22.708 4.115 3.503 1.00 10.83 H new ATOM 0 HZ1 LYS A 97 -24.032 5.885 5.010 1.00 11.32 H new ATOM 0 HZ2 LYS A 97 -24.385 4.225 4.973 1.00 11.32 H new ATOM 0 HZ3 LYS A 97 -23.421 4.861 6.218 1.00 11.32 H new ATOM 1621 N GLU A 98 -16.220 2.226 5.961 1.00 7.26 N ATOM 1622 CA GLU A 98 -15.186 1.548 6.733 1.00 7.28 C ATOM 1623 C GLU A 98 -13.934 2.409 6.826 1.00 6.75 C ATOM 1624 O GLU A 98 -13.499 2.778 7.917 1.00 7.16 O ATOM 1625 CB GLU A 98 -14.846 0.199 6.097 1.00 7.72 C ATOM 1626 CG GLU A 98 -15.798 -0.918 6.492 1.00 8.33 C ATOM 1627 CD GLU A 98 -15.720 -1.255 7.968 1.00 9.04 C ATOM 1628 OE1 GLU A 98 -14.617 -1.600 8.441 1.00 9.48 O ATOM 1629 OE2 GLU A 98 -16.763 -1.176 8.651 1.00 9.39 O ATOM 0 H GLU A 98 -15.869 2.744 5.155 1.00 7.26 H new ATOM 0 HA GLU A 98 -15.568 1.379 7.740 1.00 7.28 H new ATOM 0 HB2 GLU A 98 -14.855 0.306 5.012 1.00 7.72 H new ATOM 0 HB3 GLU A 98 -13.832 -0.082 6.381 1.00 7.72 H new ATOM 0 HG2 GLU A 98 -16.818 -0.626 6.243 1.00 8.33 H new ATOM 0 HG3 GLU A 98 -15.570 -1.809 5.907 1.00 8.33 H new ATOM 1636 N THR A 99 -13.362 2.728 5.673 1.00 6.11 N ATOM 1637 CA THR A 99 -12.159 3.553 5.622 1.00 5.88 C ATOM 1638 C THR A 99 -12.515 5.030 5.752 1.00 6.09 C ATOM 1639 O THR A 99 -12.392 5.616 6.829 1.00 6.44 O ATOM 1640 CB THR A 99 -11.394 3.312 4.321 1.00 5.78 C ATOM 1641 OG1 THR A 99 -12.265 3.380 3.207 1.00 5.95 O ATOM 1642 CG2 THR A 99 -10.694 1.971 4.278 1.00 5.82 C ATOM 0 H THR A 99 -13.709 2.430 4.761 1.00 6.11 H new ATOM 0 HA THR A 99 -11.521 3.271 6.460 1.00 5.88 H new ATOM 0 HB THR A 99 -10.640 4.098 4.279 1.00 5.78 H new ATOM 0 HG1 THR A 99 -11.818 3.848 2.471 1.00 5.95 H new ATOM 0 HG21 THR A 99 -10.170 1.864 3.328 1.00 5.82 H new ATOM 0 HG22 THR A 99 -9.977 1.908 5.097 1.00 5.82 H new ATOM 0 HG23 THR A 99 -11.430 1.173 4.378 1.00 5.82 H new ATOM 1650 N GLN A 100 -12.962 5.627 4.652 1.00 6.24 N ATOM 1651 CA GLN A 100 -13.342 7.034 4.650 1.00 6.78 C ATOM 1652 C GLN A 100 -14.642 7.235 5.420 1.00 6.93 C ATOM 1653 O GLN A 100 -14.786 8.193 6.179 1.00 7.17 O ATOM 1654 CB GLN A 100 -13.497 7.542 3.214 1.00 7.33 C ATOM 1655 CG GLN A 100 -12.320 8.378 2.735 1.00 7.68 C ATOM 1656 CD GLN A 100 -12.739 9.754 2.253 1.00 8.54 C ATOM 1657 OE1 GLN A 100 -12.204 10.770 2.697 1.00 8.97 O ATOM 1658 NE2 GLN A 100 -13.703 9.793 1.340 1.00 9.03 N ATOM 0 H GLN A 100 -13.070 5.159 3.752 1.00 6.24 H new ATOM 0 HA GLN A 100 -12.553 7.605 5.141 1.00 6.78 H new ATOM 0 HB2 GLN A 100 -13.622 6.689 2.547 1.00 7.33 H new ATOM 0 HB3 GLN A 100 -14.407 8.137 3.144 1.00 7.33 H new ATOM 0 HG2 GLN A 100 -11.601 8.485 3.547 1.00 7.68 H new ATOM 0 HG3 GLN A 100 -11.812 7.853 1.926 1.00 7.68 H new ATOM 0 HE21 GLN A 100 -14.119 8.926 1.000 1.00 9.03 H new ATOM 0 HE22 GLN A 100 -14.028 10.690 0.979 1.00 9.03 H new ATOM 1667 N ALA A 101 -15.585 6.318 5.220 1.00 7.15 N ATOM 1668 CA ALA A 101 -16.877 6.382 5.895 1.00 7.67 C ATOM 1669 C ALA A 101 -17.507 7.766 5.762 1.00 8.07 C ATOM 1670 O ALA A 101 -17.960 8.347 6.747 1.00 8.41 O ATOM 1671 CB ALA A 101 -16.722 6.009 7.362 1.00 7.99 C ATOM 0 H ALA A 101 -15.477 5.520 4.594 1.00 7.15 H new ATOM 0 HA ALA A 101 -17.543 5.666 5.414 1.00 7.67 H new ATOM 0 HB1 ALA A 101 -17.693 6.060 7.855 1.00 7.99 H new ATOM 0 HB2 ALA A 101 -16.329 4.995 7.440 1.00 7.99 H new ATOM 0 HB3 ALA A 101 -16.033 6.704 7.843 1.00 7.99 H new ATOM 1677 N LYS A 102 -17.528 8.286 4.536 1.00 8.32 N ATOM 1678 CA LYS A 102 -18.100 9.605 4.256 1.00 9.01 C ATOM 1679 C LYS A 102 -17.789 10.603 5.372 1.00 9.44 C ATOM 1680 O LYS A 102 -18.687 11.062 6.077 1.00 9.69 O ATOM 1681 CB LYS A 102 -19.615 9.497 4.045 1.00 9.41 C ATOM 1682 CG LYS A 102 -20.386 9.054 5.280 1.00 9.85 C ATOM 1683 CD LYS A 102 -20.708 7.568 5.236 1.00 10.47 C ATOM 1684 CE LYS A 102 -21.929 7.235 6.080 1.00 11.03 C ATOM 1685 NZ LYS A 102 -21.951 8.000 7.359 1.00 11.62 N ATOM 0 H LYS A 102 -17.153 7.811 3.715 1.00 8.32 H new ATOM 0 HA LYS A 102 -17.640 9.977 3.341 1.00 9.01 H new ATOM 0 HB2 LYS A 102 -19.995 10.466 3.721 1.00 9.41 H new ATOM 0 HB3 LYS A 102 -19.809 8.792 3.237 1.00 9.41 H new ATOM 0 HG2 LYS A 102 -19.801 9.274 6.173 1.00 9.85 H new ATOM 0 HG3 LYS A 102 -21.311 9.625 5.356 1.00 9.85 H new ATOM 0 HD2 LYS A 102 -20.884 7.264 4.204 1.00 10.47 H new ATOM 0 HD3 LYS A 102 -19.851 6.998 5.595 1.00 10.47 H new ATOM 0 HE2 LYS A 102 -22.833 7.454 5.511 1.00 11.03 H new ATOM 0 HE3 LYS A 102 -21.939 6.167 6.297 1.00 11.03 H new ATOM 0 HZ1 LYS A 102 -22.577 7.523 8.038 1.00 11.62 H new ATOM 0 HZ2 LYS A 102 -20.989 8.049 7.751 1.00 11.62 H new ATOM 0 HZ3 LYS A 102 -22.302 8.963 7.182 1.00 11.62 H new ATOM 1699 N ARG A 103 -16.508 10.932 5.523 1.00 9.78 N ATOM 1700 CA ARG A 103 -16.062 11.875 6.549 1.00 10.44 C ATOM 1701 C ARG A 103 -16.187 11.273 7.946 1.00 10.72 C ATOM 1702 O ARG A 103 -15.192 11.108 8.652 1.00 10.92 O ATOM 1703 CB ARG A 103 -16.853 13.188 6.458 1.00 10.95 C ATOM 1704 CG ARG A 103 -16.624 14.128 7.633 1.00 11.50 C ATOM 1705 CD ARG A 103 -17.788 14.087 8.611 1.00 12.06 C ATOM 1706 NE ARG A 103 -18.762 15.143 8.346 1.00 12.54 N ATOM 1707 CZ ARG A 103 -20.048 15.072 8.687 1.00 13.17 C ATOM 1708 NH1 ARG A 103 -20.520 14.001 9.314 1.00 13.39 N ATOM 1709 NH2 ARG A 103 -20.864 16.077 8.403 1.00 13.74 N ATOM 0 H ARG A 103 -15.756 10.558 4.945 1.00 9.78 H new ATOM 0 HA ARG A 103 -15.009 12.090 6.368 1.00 10.44 H new ATOM 0 HB2 ARG A 103 -16.581 13.702 5.536 1.00 10.95 H new ATOM 0 HB3 ARG A 103 -17.916 12.957 6.392 1.00 10.95 H new ATOM 0 HG2 ARG A 103 -15.704 13.852 8.148 1.00 11.50 H new ATOM 0 HG3 ARG A 103 -16.491 15.146 7.266 1.00 11.50 H new ATOM 0 HD2 ARG A 103 -18.280 13.116 8.549 1.00 12.06 H new ATOM 0 HD3 ARG A 103 -17.411 14.189 9.628 1.00 12.06 H new ATOM 0 HE ARG A 103 -18.438 15.986 7.871 1.00 12.54 H new ATOM 0 HH11 ARG A 103 -19.897 13.225 9.538 1.00 13.39 H new ATOM 0 HH12 ARG A 103 -21.506 13.954 9.572 1.00 13.39 H new ATOM 0 HH21 ARG A 103 -20.507 16.904 7.924 1.00 13.74 H new ATOM 0 HH22 ARG A 103 -21.849 16.024 8.664 1.00 13.74 H new ATOM 1723 N ILE A 104 -17.411 10.953 8.341 1.00 10.97 N ATOM 1724 CA ILE A 104 -17.664 10.376 9.655 1.00 11.49 C ATOM 1725 C ILE A 104 -17.323 11.375 10.760 1.00 11.88 C ATOM 1726 O ILE A 104 -16.443 12.220 10.597 1.00 11.99 O ATOM 1727 CB ILE A 104 -16.866 9.060 9.854 1.00 11.78 C ATOM 1728 CG1 ILE A 104 -17.823 7.862 9.808 1.00 11.63 C ATOM 1729 CG2 ILE A 104 -16.076 9.076 11.162 1.00 12.20 C ATOM 1730 CD1 ILE A 104 -17.241 6.581 10.373 1.00 11.96 C ATOM 0 H ILE A 104 -18.246 11.083 7.770 1.00 10.97 H new ATOM 0 HA ILE A 104 -18.727 10.141 9.714 1.00 11.49 H new ATOM 0 HB ILE A 104 -16.144 8.970 9.043 1.00 11.78 H new ATOM 0 HG12 ILE A 104 -18.728 8.112 10.362 1.00 11.63 H new ATOM 0 HG13 ILE A 104 -18.120 7.688 8.774 1.00 11.63 H new ATOM 0 HG21 ILE A 104 -15.529 8.139 11.268 1.00 12.20 H new ATOM 0 HG22 ILE A 104 -15.372 9.908 11.152 1.00 12.20 H new ATOM 0 HG23 ILE A 104 -16.763 9.193 12.000 1.00 12.20 H new ATOM 0 HD11 ILE A 104 -17.981 5.783 10.303 1.00 11.96 H new ATOM 0 HD12 ILE A 104 -16.353 6.303 9.805 1.00 11.96 H new ATOM 0 HD13 ILE A 104 -16.970 6.734 11.418 1.00 11.96 H new TER 1742 ILE A 104 END