USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) HEADER CYTOKINE 01-MAY-01 1IJZ TITLE SOLUTION STRUCTURE OF HUMAN IL-13 COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-13; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: IL-13; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSET KEYWDS LEFT-HANDED FOUR-HELIX BUNDLE, CYTOKINE EXPDTA SOLUTION NMR AUTHOR F.J.MOY,E.DIBLASIO,J.WILHELM,R.POWERS REVDAT 2 24-FEB-09 1IJZ 1 VERSN REVDAT 1 01-MAY-02 1IJZ 0 JRNL AUTH F.J.MOY,E.DIBLASIO,J.WILHELM,R.POWERS JRNL TITL SOLUTION STRUCTURE OF HUMAN IL-13 AND IMPLICATION JRNL TITL 2 FOR RECEPTOR BINDING. JRNL REF J.MOL.BIOL. V. 310 219 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11419948 JRNL DOI 10.1006/JMBI.2001.4764 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.84 REMARK 3 AUTHORS : BRUMGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 2848 RESTRAINTS, 2248 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 299 DIHEDRAL ANGLE RESTRAINTS,50 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS, 205 CA/CB CONSTRAINTS, 96 COUPLING CONSTANT REMARK 3 CONSTRAINTS. ADDITIONALLY, A RAMACHANDRAN CONFORMATIONAL REMARK 3 DATABASE AND RADIUS OF GYRATION TARGET FUNCTION WAS USED REMARK 3 DURING THE REFINEMENT. REMARK 4 REMARK 4 1IJZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAY-01. REMARK 100 THE RCSB ID CODE IS RCSB013350. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298; 298 REMARK 210 PH : 6.0; 6.0; 6.0 REMARK 210 IONIC STRENGTH : 40 MM SODIUM PHOSPHATE, 2 MM REMARK 210 NAN3, 40 MM NACL; 40 MM SODIUM REMARK 210 PHOSPHATE, 2 MM NAN3, 40 MM REMARK 210 NACL; 40 MM SODIUM PHOSPHATE, REMARK 210 2 MM NAN3, 40 MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM INTERLEUKIN-13 U-15N; REMARK 210 40MM PHOSPHATE BUFFER; 2MM REMARK 210 NAN3; 40 MM NACL 90% H2O, 10% REMARK 210 D2O; PH 6.0; 1MM INTERLEUKIN- REMARK 210 13 U-15N,U-13C; 40MM PHOSPHATE REMARK 210 BUFFER; 2MM NAN3; 40 MM NACL REMARK 210 90% H2O, 10% D2O; PH 6.0; 1MM REMARK 210 INTERLEUKIN-13 U-15N,U-13C; REMARK 210 40MM PHOSPHATE BUFFER; 2MM REMARK 210 NAN3; 40 MM NACL; 100% D2O; PH REMARK 210 6.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, HNCA-J, REMARK 210 HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.0, NMRPIPE REMARK 210 97.231.15.18, PIPP 4.2.8 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 25 -80.01 -88.19 REMARK 500 ASN A 30 54.63 -69.06 REMARK 500 THR A 40 -100.03 -138.29 REMARK 500 ALA A 41 -64.82 -109.95 REMARK 500 ALA A 77 0.13 -64.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IK0 RELATED DB: PDB REMARK 900 1IK0 CONTAINS THE ENSEMBLE STRUCTURES FOR IL-13 DBREF 1IJZ A 2 113 UNP P35225 IL13_HUMAN 21 132 SEQADV 1IJZ MET A 1 UNP P35225 CLONING ARTIFACT SEQRES 1 A 113 MET GLY PRO VAL PRO PRO SER THR ALA LEU ARG GLU LEU SEQRES 2 A 113 ILE GLU GLU LEU VAL ASN ILE THR GLN ASN GLN LYS ALA SEQRES 3 A 113 PRO LEU CYS ASN GLY SER MET VAL TRP SER ILE ASN LEU SEQRES 4 A 113 THR ALA GLY MET TYR CYS ALA ALA LEU GLU SER LEU ILE SEQRES 5 A 113 ASN VAL SER GLY CYS SER ALA ILE GLU LYS THR GLN ARG SEQRES 6 A 113 MET LEU SER GLY PHE CYS PRO HIS LYS VAL SER ALA GLY SEQRES 7 A 113 GLN PHE SER SER LEU HIS VAL ARG ASP THR LYS ILE GLU SEQRES 8 A 113 VAL ALA GLN PHE VAL LYS ASP LEU LEU LEU HIS LEU LYS SEQRES 9 A 113 LYS LEU PHE ARG GLU GLY ARG PHE ASN HELIX 1 1 PRO A 5 ASN A 23 1 19 HELIX 2 2 GLY A 42 ILE A 52 1 11 HELIX 3 3 CYS A 57 ALA A 59 5 3 HELIX 4 4 ILE A 60 CYS A 71 1 12 HELIX 5 5 VAL A 92 GLY A 110 1 19 SHEET 1 A 2 MET A 33 TRP A 35 0 SHEET 2 A 2 LYS A 89 GLU A 91 -1 N ILE A 90 O VAL A 34 SSBOND *** CYS A 29 CYS A 57 1555 1555 2.02 SSBOND *** CYS A 45 CYS A 71 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.106! (180deg=-0.464!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0938 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.441 USER MOD Single : A 19 ASN : amide:sc= -0.0852 K(o=-0.085,f=-1.7!) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.223 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 23 ASN : amide:sc= -1.87! C(o=-1.9!,f=-6.1!) USER MOD Single : A 24 GLN : amide:sc= -0.809 K(o=-0.81,f=-3.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0205 K(o=-0.02,f=-2!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.513 USER MOD Single : A 33 MET CE :methyl -179:sc= 0 (180deg=-0.000329) USER MOD Single : A 36 SER OG : rot 180:sc= -0.486 USER MOD Single : A 38 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.021) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 43 MET CE :methyl -156:sc= -0.14 (180deg=-1.4) USER MOD Single : A 44 TYR OH : rot 100:sc= -0.0119 USER MOD Single : A 50 SER OG : rot 78:sc= 0.697 USER MOD Single : A 53 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.71) USER MOD Single : A 66 MET CE :methyl 177:sc= -0.176 (180deg=-0.204) USER MOD Single : A 68 SER OG : rot 76:sc= 0.123 USER MOD Single : A 73 HIS : no HE2:sc= -5.96! C(o=-6!,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.163 USER MOD Single : A 79 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -42:sc= 0.25 USER MOD Single : A 84 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-7.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -3.05 X(o=-3,f=-3.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0125) USER MOD Single : A 113 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.908 4.310 12.564 1.00 2.43 N ATOM 2 CA MET A 1 21.496 5.345 13.553 1.00 2.00 C ATOM 3 C MET A 1 20.430 6.238 12.922 1.00 1.66 C ATOM 4 O MET A 1 19.289 6.251 13.339 1.00 1.58 O ATOM 5 CB MET A 1 22.712 6.191 13.945 1.00 2.41 C ATOM 6 CG MET A 1 23.761 5.295 14.607 1.00 2.86 C ATOM 7 SD MET A 1 24.548 4.261 13.331 1.00 3.84 S ATOM 8 CE MET A 1 24.995 2.795 14.313 1.00 4.23 C ATOM 0 H1 MET A 1 22.889 4.021 12.752 1.00 2.43 H new ATOM 0 H2 MET A 1 21.282 3.483 12.646 1.00 2.43 H new ATOM 0 H3 MET A 1 21.840 4.702 11.603 1.00 2.43 H new ATOM 0 HA MET A 1 21.092 4.865 14.444 1.00 2.00 H new ATOM 0 HB2 MET A 1 23.134 6.673 13.063 1.00 2.41 H new ATOM 0 HB3 MET A 1 22.412 6.985 14.629 1.00 2.41 H new ATOM 0 HG2 MET A 1 24.510 5.903 15.113 1.00 2.86 H new ATOM 0 HG3 MET A 1 23.295 4.667 15.366 1.00 2.86 H new ATOM 0 HE1 MET A 1 25.489 2.064 13.672 1.00 4.23 H new ATOM 0 HE2 MET A 1 25.671 3.088 15.117 1.00 4.23 H new ATOM 0 HE3 MET A 1 24.094 2.354 14.739 1.00 4.23 H new ATOM 20 N GLY A 2 20.790 6.979 11.911 1.00 1.55 N ATOM 21 CA GLY A 2 19.795 7.862 11.244 1.00 1.31 C ATOM 22 C GLY A 2 18.806 6.993 10.463 1.00 1.04 C ATOM 23 O GLY A 2 18.998 5.801 10.328 1.00 1.02 O ATOM 0 H GLY A 2 21.731 7.011 11.518 1.00 1.55 H new ATOM 0 HA2 GLY A 2 19.266 8.462 11.985 1.00 1.31 H new ATOM 0 HA3 GLY A 2 20.298 8.557 10.572 1.00 1.31 H new ATOM 27 N PRO A 3 17.755 7.578 9.950 1.00 0.95 N ATOM 28 CA PRO A 3 16.747 6.806 9.176 1.00 0.85 C ATOM 29 C PRO A 3 17.385 6.040 8.014 1.00 0.72 C ATOM 30 O PRO A 3 18.471 6.361 7.573 1.00 0.73 O ATOM 31 CB PRO A 3 15.811 7.900 8.659 1.00 0.98 C ATOM 32 CG PRO A 3 16.278 9.256 9.205 1.00 1.14 C ATOM 33 CD PRO A 3 17.505 9.035 10.096 1.00 1.12 C ATOM 0 HA PRO A 3 16.246 6.045 9.774 1.00 0.85 H new ATOM 0 HB2 PRO A 3 15.812 7.912 7.569 1.00 0.98 H new ATOM 0 HB3 PRO A 3 14.787 7.700 8.974 1.00 0.98 H new ATOM 0 HG2 PRO A 3 16.525 9.929 8.384 1.00 1.14 H new ATOM 0 HG3 PRO A 3 15.478 9.729 9.775 1.00 1.14 H new ATOM 0 HD2 PRO A 3 18.358 9.628 9.765 1.00 1.12 H new ATOM 0 HD3 PRO A 3 17.308 9.310 11.132 1.00 1.12 H new ATOM 41 N VAL A 4 16.727 5.032 7.512 1.00 0.68 N ATOM 42 CA VAL A 4 17.314 4.262 6.384 1.00 0.62 C ATOM 43 C VAL A 4 17.091 5.056 5.073 1.00 0.51 C ATOM 44 O VAL A 4 16.097 5.744 4.949 1.00 0.50 O ATOM 45 CB VAL A 4 16.621 2.893 6.285 1.00 0.70 C ATOM 46 CG1 VAL A 4 17.036 1.978 7.454 1.00 0.89 C ATOM 47 CG2 VAL A 4 15.100 3.095 6.308 1.00 0.74 C ATOM 0 H VAL A 4 15.814 4.711 7.833 1.00 0.68 H new ATOM 0 HA VAL A 4 18.381 4.111 6.548 1.00 0.62 H new ATOM 0 HB VAL A 4 16.923 2.416 5.352 1.00 0.70 H new ATOM 0 HG11 VAL A 4 16.532 1.016 7.360 1.00 0.89 H new ATOM 0 HG12 VAL A 4 18.115 1.826 7.431 1.00 0.89 H new ATOM 0 HG13 VAL A 4 16.755 2.444 8.398 1.00 0.89 H new ATOM 0 HG21 VAL A 4 14.603 2.127 6.238 1.00 0.74 H new ATOM 0 HG22 VAL A 4 14.812 3.584 7.238 1.00 0.74 H new ATOM 0 HG23 VAL A 4 14.803 3.717 5.464 1.00 0.74 H new ATOM 57 N PRO A 5 17.987 4.986 4.095 1.00 0.50 N ATOM 58 CA PRO A 5 17.785 5.755 2.829 1.00 0.47 C ATOM 59 C PRO A 5 16.460 5.406 2.122 1.00 0.38 C ATOM 60 O PRO A 5 15.864 4.385 2.401 1.00 0.37 O ATOM 61 CB PRO A 5 18.967 5.311 1.966 1.00 0.59 C ATOM 62 CG PRO A 5 19.849 4.356 2.776 1.00 0.63 C ATOM 63 CD PRO A 5 19.237 4.172 4.166 1.00 0.60 C ATOM 0 HA PRO A 5 17.734 6.828 3.012 1.00 0.47 H new ATOM 0 HB2 PRO A 5 18.608 4.817 1.063 1.00 0.59 H new ATOM 0 HB3 PRO A 5 19.546 6.178 1.647 1.00 0.59 H new ATOM 0 HG2 PRO A 5 19.928 3.394 2.269 1.00 0.63 H new ATOM 0 HG3 PRO A 5 20.860 4.756 2.859 1.00 0.63 H new ATOM 0 HD2 PRO A 5 19.024 3.124 4.378 1.00 0.60 H new ATOM 0 HD3 PRO A 5 19.905 4.526 4.951 1.00 0.60 H new ATOM 71 N PRO A 6 15.999 6.235 1.201 1.00 0.41 N ATOM 72 CA PRO A 6 14.731 5.944 0.473 1.00 0.39 C ATOM 73 C PRO A 6 14.799 4.640 -0.325 1.00 0.31 C ATOM 74 O PRO A 6 13.898 3.826 -0.285 1.00 0.29 O ATOM 75 CB PRO A 6 14.603 7.132 -0.481 1.00 0.51 C ATOM 76 CG PRO A 6 15.843 8.021 -0.339 1.00 0.63 C ATOM 77 CD PRO A 6 16.690 7.503 0.825 1.00 0.57 C ATOM 0 HA PRO A 6 13.890 5.819 1.155 1.00 0.39 H new ATOM 0 HB2 PRO A 6 14.507 6.781 -1.509 1.00 0.51 H new ATOM 0 HB3 PRO A 6 13.703 7.702 -0.253 1.00 0.51 H new ATOM 0 HG2 PRO A 6 16.423 8.010 -1.262 1.00 0.63 H new ATOM 0 HG3 PRO A 6 15.548 9.055 -0.160 1.00 0.63 H new ATOM 0 HD2 PRO A 6 17.723 7.327 0.526 1.00 0.57 H new ATOM 0 HD3 PRO A 6 16.714 8.211 1.653 1.00 0.57 H new ATOM 85 N SER A 7 15.858 4.443 -1.060 1.00 0.31 N ATOM 86 CA SER A 7 15.978 3.199 -1.870 1.00 0.28 C ATOM 87 C SER A 7 15.995 1.980 -0.948 1.00 0.26 C ATOM 88 O SER A 7 15.399 0.967 -1.241 1.00 0.25 O ATOM 89 CB SER A 7 17.276 3.242 -2.681 1.00 0.32 C ATOM 90 OG SER A 7 18.384 3.106 -1.801 1.00 0.36 O ATOM 0 H SER A 7 16.644 5.089 -1.135 1.00 0.31 H new ATOM 0 HA SER A 7 15.126 3.127 -2.546 1.00 0.28 H new ATOM 0 HB2 SER A 7 17.283 2.441 -3.420 1.00 0.32 H new ATOM 0 HB3 SER A 7 17.345 4.182 -3.229 1.00 0.32 H new ATOM 0 HG SER A 7 19.217 3.131 -2.317 1.00 0.36 H new ATOM 96 N THR A 8 16.667 2.067 0.166 1.00 0.28 N ATOM 97 CA THR A 8 16.710 0.901 1.097 1.00 0.29 C ATOM 98 C THR A 8 15.332 0.681 1.720 1.00 0.26 C ATOM 99 O THR A 8 14.870 -0.434 1.849 1.00 0.27 O ATOM 100 CB THR A 8 17.736 1.167 2.199 1.00 0.35 C ATOM 101 OG1 THR A 8 19.018 1.332 1.614 1.00 0.40 O ATOM 102 CG2 THR A 8 17.763 -0.007 3.180 1.00 0.38 C ATOM 0 H THR A 8 17.186 2.890 0.472 1.00 0.28 H new ATOM 0 HA THR A 8 16.996 0.008 0.541 1.00 0.29 H new ATOM 0 HB THR A 8 17.461 2.073 2.739 1.00 0.35 H new ATOM 0 HG1 THR A 8 19.709 1.186 2.294 1.00 0.40 H new ATOM 0 HG21 THR A 8 18.496 0.189 3.962 1.00 0.38 H new ATOM 0 HG22 THR A 8 16.777 -0.129 3.629 1.00 0.38 H new ATOM 0 HG23 THR A 8 18.035 -0.919 2.649 1.00 0.38 H new ATOM 110 N ALA A 9 14.669 1.733 2.106 1.00 0.25 N ATOM 111 CA ALA A 9 13.324 1.577 2.718 1.00 0.26 C ATOM 112 C ALA A 9 12.391 0.900 1.718 1.00 0.24 C ATOM 113 O ALA A 9 11.593 0.055 2.071 1.00 0.26 O ATOM 114 CB ALA A 9 12.764 2.954 3.077 1.00 0.29 C ATOM 0 H ALA A 9 15.001 2.694 2.024 1.00 0.25 H new ATOM 0 HA ALA A 9 13.402 0.969 3.619 1.00 0.26 H new ATOM 0 HB1 ALA A 9 11.777 2.840 3.526 1.00 0.29 H new ATOM 0 HB2 ALA A 9 13.431 3.444 3.786 1.00 0.29 H new ATOM 0 HB3 ALA A 9 12.684 3.561 2.175 1.00 0.29 H new ATOM 120 N LEU A 10 12.470 1.277 0.472 1.00 0.22 N ATOM 121 CA LEU A 10 11.572 0.663 -0.540 1.00 0.22 C ATOM 122 C LEU A 10 11.850 -0.841 -0.669 1.00 0.21 C ATOM 123 O LEU A 10 10.943 -1.650 -0.638 1.00 0.23 O ATOM 124 CB LEU A 10 11.765 1.357 -1.898 1.00 0.22 C ATOM 125 CG LEU A 10 10.908 0.674 -2.977 1.00 0.33 C ATOM 126 CD1 LEU A 10 9.435 0.641 -2.559 1.00 0.48 C ATOM 127 CD2 LEU A 10 11.055 1.464 -4.277 1.00 0.82 C ATOM 0 H LEU A 10 13.115 1.981 0.114 1.00 0.22 H new ATOM 0 HA LEU A 10 10.540 0.793 -0.216 1.00 0.22 H new ATOM 0 HB2 LEU A 10 11.490 2.409 -1.818 1.00 0.22 H new ATOM 0 HB3 LEU A 10 12.816 1.323 -2.184 1.00 0.22 H new ATOM 0 HG LEU A 10 11.245 -0.354 -3.113 1.00 0.33 H new ATOM 0 HD11 LEU A 10 8.847 0.154 -3.337 1.00 0.48 H new ATOM 0 HD12 LEU A 10 9.334 0.086 -1.626 1.00 0.48 H new ATOM 0 HD13 LEU A 10 9.074 1.660 -2.416 1.00 0.48 H new ATOM 0 HD21 LEU A 10 10.454 0.996 -5.057 1.00 0.82 H new ATOM 0 HD22 LEU A 10 10.714 2.488 -4.121 1.00 0.82 H new ATOM 0 HD23 LEU A 10 12.102 1.473 -4.581 1.00 0.82 H new ATOM 139 N ARG A 11 13.089 -1.225 -0.833 1.00 0.23 N ATOM 140 CA ARG A 11 13.403 -2.678 -0.985 1.00 0.25 C ATOM 141 C ARG A 11 12.938 -3.421 0.259 1.00 0.25 C ATOM 142 O ARG A 11 12.333 -4.472 0.182 1.00 0.27 O ATOM 143 CB ARG A 11 14.912 -2.861 -1.124 1.00 0.29 C ATOM 144 CG ARG A 11 15.412 -2.078 -2.342 1.00 0.33 C ATOM 145 CD ARG A 11 16.947 -2.016 -2.342 1.00 0.95 C ATOM 146 NE ARG A 11 17.494 -3.285 -2.896 1.00 1.53 N ATOM 147 CZ ARG A 11 18.753 -3.358 -3.225 1.00 2.18 C ATOM 148 NH1 ARG A 11 19.542 -2.340 -3.008 1.00 2.48 N ATOM 149 NH2 ARG A 11 19.228 -4.449 -3.760 1.00 3.10 N ATOM 0 H ARG A 11 13.894 -0.599 -0.868 1.00 0.23 H new ATOM 0 HA ARG A 11 12.898 -3.067 -1.869 1.00 0.25 H new ATOM 0 HB2 ARG A 11 15.416 -2.512 -0.222 1.00 0.29 H new ATOM 0 HB3 ARG A 11 15.152 -3.918 -1.235 1.00 0.29 H new ATOM 0 HG2 ARG A 11 15.060 -2.553 -3.258 1.00 0.33 H new ATOM 0 HG3 ARG A 11 15.000 -1.069 -2.328 1.00 0.33 H new ATOM 0 HD2 ARG A 11 17.288 -1.170 -2.938 1.00 0.95 H new ATOM 0 HD3 ARG A 11 17.316 -1.860 -1.328 1.00 0.95 H new ATOM 0 HE ARG A 11 16.886 -4.095 -3.018 1.00 1.53 H new ATOM 0 HH11 ARG A 11 19.173 -1.490 -2.582 1.00 2.48 H new ATOM 0 HH12 ARG A 11 20.528 -2.395 -3.265 1.00 2.48 H new ATOM 0 HH21 ARG A 11 18.614 -5.247 -3.922 1.00 3.10 H new ATOM 0 HH22 ARG A 11 20.214 -4.504 -4.017 1.00 3.10 H new ATOM 163 N GLU A 12 13.207 -2.876 1.410 1.00 0.25 N ATOM 164 CA GLU A 12 12.767 -3.546 2.657 1.00 0.28 C ATOM 165 C GLU A 12 11.245 -3.665 2.620 1.00 0.26 C ATOM 166 O GLU A 12 10.679 -4.652 3.044 1.00 0.29 O ATOM 167 CB GLU A 12 13.220 -2.734 3.879 1.00 0.30 C ATOM 168 CG GLU A 12 14.742 -2.854 4.052 1.00 0.34 C ATOM 169 CD GLU A 12 15.143 -2.345 5.438 1.00 1.14 C ATOM 170 OE1 GLU A 12 14.373 -1.600 6.021 1.00 1.92 O ATOM 171 OE2 GLU A 12 16.208 -2.722 5.900 1.00 1.81 O ATOM 0 H GLU A 12 13.711 -1.999 1.539 1.00 0.25 H new ATOM 0 HA GLU A 12 13.212 -4.538 2.733 1.00 0.28 H new ATOM 0 HB2 GLU A 12 12.941 -1.688 3.755 1.00 0.30 H new ATOM 0 HB3 GLU A 12 12.714 -3.095 4.774 1.00 0.30 H new ATOM 0 HG2 GLU A 12 15.051 -3.892 3.931 1.00 0.34 H new ATOM 0 HG3 GLU A 12 15.252 -2.278 3.280 1.00 0.34 H new ATOM 178 N LEU A 13 10.577 -2.669 2.104 1.00 0.23 N ATOM 179 CA LEU A 13 9.092 -2.734 2.025 1.00 0.24 C ATOM 180 C LEU A 13 8.681 -3.789 0.983 1.00 0.22 C ATOM 181 O LEU A 13 7.834 -4.621 1.239 1.00 0.23 O ATOM 182 CB LEU A 13 8.549 -1.350 1.626 1.00 0.24 C ATOM 183 CG LEU A 13 7.020 -1.380 1.450 1.00 0.27 C ATOM 184 CD1 LEU A 13 6.337 -1.769 2.764 1.00 0.32 C ATOM 185 CD2 LEU A 13 6.537 0.012 1.036 1.00 0.31 C ATOM 0 H LEU A 13 10.996 -1.815 1.735 1.00 0.23 H new ATOM 0 HA LEU A 13 8.678 -3.016 2.993 1.00 0.24 H new ATOM 0 HB2 LEU A 13 8.815 -0.618 2.389 1.00 0.24 H new ATOM 0 HB3 LEU A 13 9.018 -1.027 0.697 1.00 0.24 H new ATOM 0 HG LEU A 13 6.768 -2.115 0.686 1.00 0.27 H new ATOM 0 HD11 LEU A 13 5.256 -1.785 2.622 1.00 0.32 H new ATOM 0 HD12 LEU A 13 6.677 -2.758 3.072 1.00 0.32 H new ATOM 0 HD13 LEU A 13 6.590 -1.041 3.535 1.00 0.32 H new ATOM 0 HD21 LEU A 13 5.454 -0.001 0.909 1.00 0.31 H new ATOM 0 HD22 LEU A 13 6.803 0.734 1.808 1.00 0.31 H new ATOM 0 HD23 LEU A 13 7.009 0.296 0.095 1.00 0.31 H new ATOM 197 N ILE A 14 9.270 -3.765 -0.192 1.00 0.21 N ATOM 198 CA ILE A 14 8.892 -4.776 -1.231 1.00 0.21 C ATOM 199 C ILE A 14 9.181 -6.183 -0.700 1.00 0.21 C ATOM 200 O ILE A 14 8.358 -7.069 -0.803 1.00 0.22 O ATOM 201 CB ILE A 14 9.687 -4.543 -2.537 1.00 0.21 C ATOM 202 CG1 ILE A 14 9.269 -3.193 -3.152 1.00 0.23 C ATOM 203 CG2 ILE A 14 9.404 -5.688 -3.545 1.00 0.23 C ATOM 204 CD1 ILE A 14 10.283 -2.743 -4.220 1.00 0.25 C ATOM 0 H ILE A 14 9.988 -3.097 -0.473 1.00 0.21 H new ATOM 0 HA ILE A 14 7.829 -4.672 -1.449 1.00 0.21 H new ATOM 0 HB ILE A 14 10.753 -4.529 -2.312 1.00 0.21 H new ATOM 0 HG12 ILE A 14 8.279 -3.282 -3.599 1.00 0.23 H new ATOM 0 HG13 ILE A 14 9.199 -2.438 -2.369 1.00 0.23 H new ATOM 0 HG21 ILE A 14 9.969 -5.514 -4.461 1.00 0.23 H new ATOM 0 HG22 ILE A 14 9.705 -6.640 -3.108 1.00 0.23 H new ATOM 0 HG23 ILE A 14 8.339 -5.715 -3.775 1.00 0.23 H new ATOM 0 HD11 ILE A 14 9.968 -1.788 -4.641 1.00 0.25 H new ATOM 0 HD12 ILE A 14 11.267 -2.632 -3.764 1.00 0.25 H new ATOM 0 HD13 ILE A 14 10.333 -3.490 -5.012 1.00 0.25 H new ATOM 216 N GLU A 15 10.341 -6.411 -0.161 1.00 0.23 N ATOM 217 CA GLU A 15 10.655 -7.780 0.326 1.00 0.25 C ATOM 218 C GLU A 15 9.649 -8.181 1.400 1.00 0.24 C ATOM 219 O GLU A 15 9.203 -9.310 1.451 1.00 0.26 O ATOM 220 CB GLU A 15 12.066 -7.811 0.918 1.00 0.28 C ATOM 221 CG GLU A 15 13.096 -7.625 -0.199 1.00 0.31 C ATOM 222 CD GLU A 15 14.495 -7.917 0.345 1.00 1.10 C ATOM 223 OE1 GLU A 15 15.126 -6.994 0.833 1.00 1.90 O ATOM 224 OE2 GLU A 15 14.911 -9.061 0.265 1.00 1.78 O ATOM 0 H GLU A 15 11.079 -5.718 -0.037 1.00 0.23 H new ATOM 0 HA GLU A 15 10.599 -8.478 -0.509 1.00 0.25 H new ATOM 0 HB2 GLU A 15 12.176 -7.023 1.663 1.00 0.28 H new ATOM 0 HB3 GLU A 15 12.236 -8.759 1.429 1.00 0.28 H new ATOM 0 HG2 GLU A 15 12.871 -8.292 -1.031 1.00 0.31 H new ATOM 0 HG3 GLU A 15 13.049 -6.607 -0.586 1.00 0.31 H new ATOM 231 N GLU A 16 9.286 -7.276 2.264 1.00 0.24 N ATOM 232 CA GLU A 16 8.312 -7.637 3.325 1.00 0.26 C ATOM 233 C GLU A 16 6.922 -7.858 2.721 1.00 0.24 C ATOM 234 O GLU A 16 6.259 -8.814 3.050 1.00 0.25 O ATOM 235 CB GLU A 16 8.249 -6.529 4.376 1.00 0.27 C ATOM 236 CG GLU A 16 7.264 -6.937 5.474 1.00 0.32 C ATOM 237 CD GLU A 16 7.517 -6.100 6.729 1.00 0.91 C ATOM 238 OE1 GLU A 16 8.370 -5.229 6.674 1.00 1.68 O ATOM 239 OE2 GLU A 16 6.858 -6.348 7.725 1.00 1.56 O ATOM 0 H GLU A 16 9.619 -6.312 2.281 1.00 0.24 H new ATOM 0 HA GLU A 16 8.641 -8.562 3.798 1.00 0.26 H new ATOM 0 HB2 GLU A 16 9.238 -6.358 4.802 1.00 0.27 H new ATOM 0 HB3 GLU A 16 7.933 -5.592 3.917 1.00 0.27 H new ATOM 0 HG2 GLU A 16 6.240 -6.793 5.129 1.00 0.32 H new ATOM 0 HG3 GLU A 16 7.378 -7.997 5.703 1.00 0.32 H new ATOM 246 N LEU A 17 6.473 -6.992 1.842 1.00 0.23 N ATOM 247 CA LEU A 17 5.113 -7.183 1.242 1.00 0.24 C ATOM 248 C LEU A 17 5.048 -8.518 0.503 1.00 0.23 C ATOM 249 O LEU A 17 4.103 -9.269 0.639 1.00 0.25 O ATOM 250 CB LEU A 17 4.806 -6.058 0.243 1.00 0.25 C ATOM 251 CG LEU A 17 4.590 -4.727 0.975 1.00 0.27 C ATOM 252 CD1 LEU A 17 4.550 -3.594 -0.051 1.00 0.30 C ATOM 253 CD2 LEU A 17 3.257 -4.733 1.744 1.00 0.32 C ATOM 0 H LEU A 17 6.983 -6.170 1.517 1.00 0.23 H new ATOM 0 HA LEU A 17 4.381 -7.168 2.050 1.00 0.24 H new ATOM 0 HB2 LEU A 17 5.628 -5.960 -0.466 1.00 0.25 H new ATOM 0 HB3 LEU A 17 3.916 -6.310 -0.334 1.00 0.25 H new ATOM 0 HG LEU A 17 5.408 -4.585 1.681 1.00 0.27 H new ATOM 0 HD11 LEU A 17 4.397 -2.644 0.461 1.00 0.30 H new ATOM 0 HD12 LEU A 17 5.493 -3.564 -0.597 1.00 0.30 H new ATOM 0 HD13 LEU A 17 3.732 -3.765 -0.750 1.00 0.30 H new ATOM 0 HD21 LEU A 17 3.127 -3.779 2.254 1.00 0.32 H new ATOM 0 HD22 LEU A 17 2.435 -4.886 1.045 1.00 0.32 H new ATOM 0 HD23 LEU A 17 3.264 -5.539 2.478 1.00 0.32 H new ATOM 265 N VAL A 18 6.039 -8.815 -0.285 1.00 0.23 N ATOM 266 CA VAL A 18 6.028 -10.095 -1.040 1.00 0.26 C ATOM 267 C VAL A 18 5.987 -11.266 -0.051 1.00 0.26 C ATOM 268 O VAL A 18 5.189 -12.170 -0.173 1.00 0.28 O ATOM 269 CB VAL A 18 7.299 -10.177 -1.899 1.00 0.28 C ATOM 270 CG1 VAL A 18 7.430 -11.566 -2.531 1.00 0.32 C ATOM 271 CG2 VAL A 18 7.223 -9.130 -3.011 1.00 0.29 C ATOM 0 H VAL A 18 6.857 -8.226 -0.439 1.00 0.23 H new ATOM 0 HA VAL A 18 5.151 -10.143 -1.685 1.00 0.26 H new ATOM 0 HB VAL A 18 8.165 -9.992 -1.264 1.00 0.28 H new ATOM 0 HG11 VAL A 18 8.336 -11.606 -3.136 1.00 0.32 H new ATOM 0 HG12 VAL A 18 7.485 -12.320 -1.745 1.00 0.32 H new ATOM 0 HG13 VAL A 18 6.563 -11.762 -3.162 1.00 0.32 H new ATOM 0 HG21 VAL A 18 8.123 -9.184 -3.624 1.00 0.29 H new ATOM 0 HG22 VAL A 18 6.349 -9.322 -3.633 1.00 0.29 H new ATOM 0 HG23 VAL A 18 7.143 -8.136 -2.570 1.00 0.29 H new ATOM 281 N ASN A 19 6.852 -11.253 0.919 1.00 0.26 N ATOM 282 CA ASN A 19 6.904 -12.367 1.910 1.00 0.29 C ATOM 283 C ASN A 19 5.516 -12.659 2.499 1.00 0.29 C ATOM 284 O ASN A 19 5.104 -13.798 2.587 1.00 0.32 O ATOM 285 CB ASN A 19 7.853 -11.966 3.043 1.00 0.31 C ATOM 286 CG ASN A 19 8.533 -13.205 3.631 1.00 1.16 C ATOM 287 OD1 ASN A 19 8.177 -14.323 3.316 1.00 1.93 O ATOM 288 ND2 ASN A 19 9.512 -13.048 4.480 1.00 1.89 N ATOM 0 H ASN A 19 7.535 -10.511 1.072 1.00 0.26 H new ATOM 0 HA ASN A 19 7.255 -13.267 1.405 1.00 0.29 H new ATOM 0 HB2 ASN A 19 8.606 -11.273 2.667 1.00 0.31 H new ATOM 0 HB3 ASN A 19 7.299 -11.443 3.822 1.00 0.31 H new ATOM 0 HD21 ASN A 19 9.977 -13.864 4.878 1.00 1.89 H new ATOM 0 HD22 ASN A 19 9.812 -12.110 4.745 1.00 1.89 H new ATOM 295 N ILE A 20 4.803 -11.655 2.932 1.00 0.28 N ATOM 296 CA ILE A 20 3.465 -11.910 3.545 1.00 0.29 C ATOM 297 C ILE A 20 2.412 -12.253 2.482 1.00 0.26 C ATOM 298 O ILE A 20 1.337 -12.709 2.813 1.00 0.28 O ATOM 299 CB ILE A 20 3.027 -10.686 4.366 1.00 0.32 C ATOM 300 CG1 ILE A 20 2.973 -9.430 3.470 1.00 0.29 C ATOM 301 CG2 ILE A 20 4.042 -10.490 5.505 1.00 0.39 C ATOM 302 CD1 ILE A 20 2.143 -8.326 4.143 1.00 0.40 C ATOM 0 H ILE A 20 5.085 -10.676 2.889 1.00 0.28 H new ATOM 0 HA ILE A 20 3.552 -12.773 4.205 1.00 0.29 H new ATOM 0 HB ILE A 20 2.030 -10.845 4.776 1.00 0.32 H new ATOM 0 HG12 ILE A 20 3.983 -9.068 3.279 1.00 0.29 H new ATOM 0 HG13 ILE A 20 2.537 -9.683 2.504 1.00 0.29 H new ATOM 0 HG21 ILE A 20 3.754 -9.626 6.104 1.00 0.39 H new ATOM 0 HG22 ILE A 20 4.058 -11.379 6.135 1.00 0.39 H new ATOM 0 HG23 ILE A 20 5.034 -10.325 5.084 1.00 0.39 H new ATOM 0 HD11 ILE A 20 2.115 -7.448 3.498 1.00 0.40 H new ATOM 0 HD12 ILE A 20 1.128 -8.685 4.311 1.00 0.40 H new ATOM 0 HD13 ILE A 20 2.597 -8.061 5.098 1.00 0.40 H new ATOM 314 N THR A 21 2.701 -12.031 1.219 1.00 0.24 N ATOM 315 CA THR A 21 1.693 -12.340 0.151 1.00 0.25 C ATOM 316 C THR A 21 2.031 -13.661 -0.558 1.00 0.27 C ATOM 317 O THR A 21 1.216 -14.199 -1.281 1.00 0.36 O ATOM 318 CB THR A 21 1.668 -11.203 -0.876 1.00 0.27 C ATOM 319 OG1 THR A 21 2.984 -10.956 -1.346 1.00 0.28 O ATOM 320 CG2 THR A 21 1.105 -9.936 -0.229 1.00 0.29 C ATOM 0 H THR A 21 3.586 -11.651 0.883 1.00 0.24 H new ATOM 0 HA THR A 21 0.714 -12.439 0.620 1.00 0.25 H new ATOM 0 HB THR A 21 1.034 -11.490 -1.715 1.00 0.27 H new ATOM 0 HG1 THR A 21 3.458 -10.384 -0.706 1.00 0.28 H new ATOM 0 HG21 THR A 21 1.089 -9.130 -0.962 1.00 0.29 H new ATOM 0 HG22 THR A 21 0.091 -10.127 0.123 1.00 0.29 H new ATOM 0 HG23 THR A 21 1.733 -9.648 0.614 1.00 0.29 H new ATOM 328 N GLN A 22 3.211 -14.196 -0.373 1.00 0.27 N ATOM 329 CA GLN A 22 3.544 -15.483 -1.062 1.00 0.31 C ATOM 330 C GLN A 22 3.060 -16.676 -0.236 1.00 0.33 C ATOM 331 O GLN A 22 2.587 -17.655 -0.778 1.00 0.38 O ATOM 332 CB GLN A 22 5.059 -15.619 -1.275 1.00 0.36 C ATOM 333 CG GLN A 22 5.551 -14.621 -2.330 1.00 0.38 C ATOM 334 CD GLN A 22 6.854 -15.129 -2.946 1.00 1.16 C ATOM 335 OE1 GLN A 22 7.597 -15.856 -2.317 1.00 1.92 O ATOM 336 NE2 GLN A 22 7.162 -14.774 -4.163 1.00 1.95 N ATOM 0 H GLN A 22 3.948 -13.807 0.215 1.00 0.27 H new ATOM 0 HA GLN A 22 3.042 -15.473 -2.029 1.00 0.31 H new ATOM 0 HB2 GLN A 22 5.580 -15.447 -0.333 1.00 0.36 H new ATOM 0 HB3 GLN A 22 5.297 -16.635 -1.590 1.00 0.36 H new ATOM 0 HG2 GLN A 22 4.796 -14.494 -3.105 1.00 0.38 H new ATOM 0 HG3 GLN A 22 5.709 -13.643 -1.875 1.00 0.38 H new ATOM 0 HE21 GLN A 22 6.537 -14.164 -4.690 1.00 1.95 H new ATOM 0 HE22 GLN A 22 8.028 -15.107 -4.588 1.00 1.95 H new ATOM 345 N ASN A 23 3.195 -16.618 1.064 1.00 0.36 N ATOM 346 CA ASN A 23 2.763 -17.773 1.905 1.00 0.43 C ATOM 347 C ASN A 23 1.335 -17.550 2.400 1.00 0.42 C ATOM 348 O ASN A 23 0.854 -18.264 3.257 1.00 0.53 O ATOM 349 CB ASN A 23 3.685 -17.939 3.124 1.00 0.56 C ATOM 350 CG ASN A 23 5.064 -17.317 2.870 1.00 1.45 C ATOM 351 OD1 ASN A 23 5.447 -17.067 1.744 1.00 2.30 O ATOM 352 ND2 ASN A 23 5.842 -17.073 3.890 1.00 2.11 N ATOM 0 H ASN A 23 3.583 -15.826 1.576 1.00 0.36 H new ATOM 0 HA ASN A 23 2.814 -18.673 1.292 1.00 0.43 H new ATOM 0 HB2 ASN A 23 3.227 -17.470 3.995 1.00 0.56 H new ATOM 0 HB3 ASN A 23 3.799 -18.998 3.355 1.00 0.56 H new ATOM 0 HD21 ASN A 23 6.769 -16.674 3.741 1.00 2.11 H new ATOM 0 HD22 ASN A 23 5.523 -17.282 4.836 1.00 2.11 H new ATOM 359 N GLN A 24 0.643 -16.576 1.874 1.00 0.37 N ATOM 360 CA GLN A 24 -0.751 -16.352 2.342 1.00 0.40 C ATOM 361 C GLN A 24 -1.671 -17.329 1.615 1.00 0.52 C ATOM 362 O GLN A 24 -1.666 -17.415 0.403 1.00 0.59 O ATOM 363 CB GLN A 24 -1.186 -14.900 2.059 1.00 0.36 C ATOM 364 CG GLN A 24 -1.611 -14.723 0.592 1.00 0.44 C ATOM 365 CD GLN A 24 -1.793 -13.232 0.296 1.00 1.19 C ATOM 366 OE1 GLN A 24 -1.568 -12.398 1.151 1.00 1.80 O ATOM 367 NE2 GLN A 24 -2.201 -12.859 -0.886 1.00 1.81 N ATOM 0 H GLN A 24 0.977 -15.936 1.153 1.00 0.37 H new ATOM 0 HA GLN A 24 -0.809 -16.519 3.418 1.00 0.40 H new ATOM 0 HB2 GLN A 24 -2.014 -14.631 2.715 1.00 0.36 H new ATOM 0 HB3 GLN A 24 -0.365 -14.221 2.287 1.00 0.36 H new ATOM 0 HG2 GLN A 24 -0.857 -15.148 -0.071 1.00 0.44 H new ATOM 0 HG3 GLN A 24 -2.541 -15.259 0.403 1.00 0.44 H new ATOM 0 HE21 GLN A 24 -2.390 -13.558 -1.604 1.00 1.81 H new ATOM 0 HE22 GLN A 24 -2.331 -11.868 -1.092 1.00 1.81 H new ATOM 376 N LYS A 25 -2.470 -18.055 2.339 1.00 0.65 N ATOM 377 CA LYS A 25 -3.398 -19.012 1.679 1.00 0.84 C ATOM 378 C LYS A 25 -4.690 -18.269 1.349 1.00 0.87 C ATOM 379 O LYS A 25 -4.904 -17.834 0.235 1.00 0.96 O ATOM 380 CB LYS A 25 -3.693 -20.172 2.635 1.00 1.01 C ATOM 381 CG LYS A 25 -4.655 -21.159 1.971 1.00 1.23 C ATOM 382 CD LYS A 25 -4.880 -22.356 2.896 1.00 1.64 C ATOM 383 CE LYS A 25 -6.036 -23.202 2.360 1.00 2.05 C ATOM 384 NZ LYS A 25 -5.632 -24.635 2.329 1.00 2.46 N ATOM 0 H LYS A 25 -2.522 -18.029 3.357 1.00 0.65 H new ATOM 0 HA LYS A 25 -2.954 -19.411 0.767 1.00 0.84 H new ATOM 0 HB2 LYS A 25 -2.766 -20.679 2.904 1.00 1.01 H new ATOM 0 HB3 LYS A 25 -4.128 -19.792 3.559 1.00 1.01 H new ATOM 0 HG2 LYS A 25 -5.605 -20.669 1.756 1.00 1.23 H new ATOM 0 HG3 LYS A 25 -4.247 -21.495 1.018 1.00 1.23 H new ATOM 0 HD2 LYS A 25 -3.973 -22.957 2.958 1.00 1.64 H new ATOM 0 HD3 LYS A 25 -5.104 -22.012 3.906 1.00 1.64 H new ATOM 0 HE2 LYS A 25 -6.916 -23.075 2.991 1.00 2.05 H new ATOM 0 HE3 LYS A 25 -6.310 -22.869 1.359 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 -6.418 -25.210 1.964 1.00 2.46 H new ATOM 0 HZ2 LYS A 25 -4.804 -24.749 1.710 1.00 2.46 H new ATOM 0 HZ3 LYS A 25 -5.391 -24.949 3.291 1.00 2.46 H new ATOM 398 N ALA A 26 -5.539 -18.103 2.320 1.00 0.92 N ATOM 399 CA ALA A 26 -6.809 -17.365 2.090 1.00 0.95 C ATOM 400 C ALA A 26 -6.500 -15.862 2.134 1.00 0.70 C ATOM 401 O ALA A 26 -5.406 -15.476 2.496 1.00 0.55 O ATOM 402 CB ALA A 26 -7.798 -17.741 3.195 1.00 1.11 C ATOM 0 H ALA A 26 -5.407 -18.449 3.270 1.00 0.92 H new ATOM 0 HA ALA A 26 -7.245 -17.618 1.124 1.00 0.95 H new ATOM 0 HB1 ALA A 26 -8.736 -17.208 3.041 1.00 1.11 H new ATOM 0 HB2 ALA A 26 -7.983 -18.815 3.168 1.00 1.11 H new ATOM 0 HB3 ALA A 26 -7.381 -17.469 4.165 1.00 1.11 H new ATOM 408 N PRO A 27 -7.428 -15.006 1.771 1.00 0.71 N ATOM 409 CA PRO A 27 -7.152 -13.545 1.800 1.00 0.56 C ATOM 410 C PRO A 27 -6.725 -13.075 3.193 1.00 0.41 C ATOM 411 O PRO A 27 -7.151 -13.612 4.196 1.00 0.54 O ATOM 412 CB PRO A 27 -8.497 -12.936 1.403 1.00 0.65 C ATOM 413 CG PRO A 27 -9.469 -14.068 1.045 1.00 0.88 C ATOM 414 CD PRO A 27 -8.788 -15.413 1.319 1.00 0.93 C ATOM 0 HA PRO A 27 -6.332 -13.256 1.142 1.00 0.56 H new ATOM 0 HB2 PRO A 27 -8.898 -12.340 2.223 1.00 0.65 H new ATOM 0 HB3 PRO A 27 -8.371 -12.265 0.554 1.00 0.65 H new ATOM 0 HG2 PRO A 27 -10.382 -13.981 1.634 1.00 0.88 H new ATOM 0 HG3 PRO A 27 -9.758 -13.999 -0.004 1.00 0.88 H new ATOM 0 HD2 PRO A 27 -9.314 -15.985 2.083 1.00 0.93 H new ATOM 0 HD3 PRO A 27 -8.748 -16.036 0.426 1.00 0.93 H new ATOM 422 N LEU A 28 -5.882 -12.081 3.266 1.00 0.39 N ATOM 423 CA LEU A 28 -5.429 -11.593 4.599 1.00 0.50 C ATOM 424 C LEU A 28 -6.645 -11.120 5.394 1.00 0.43 C ATOM 425 O LEU A 28 -6.866 -11.527 6.518 1.00 0.76 O ATOM 426 CB LEU A 28 -4.476 -10.414 4.396 1.00 0.72 C ATOM 427 CG LEU A 28 -3.202 -10.883 3.682 1.00 0.81 C ATOM 428 CD1 LEU A 28 -2.393 -9.627 3.277 1.00 1.06 C ATOM 429 CD2 LEU A 28 -2.411 -11.856 4.610 1.00 0.91 C ATOM 0 H LEU A 28 -5.489 -11.588 2.464 1.00 0.39 H new ATOM 0 HA LEU A 28 -4.922 -12.393 5.138 1.00 0.50 H new ATOM 0 HB2 LEU A 28 -4.966 -9.637 3.809 1.00 0.72 H new ATOM 0 HB3 LEU A 28 -4.221 -9.973 5.359 1.00 0.72 H new ATOM 0 HG LEU A 28 -3.428 -11.443 2.775 1.00 0.81 H new ATOM 0 HD11 LEU A 28 -1.480 -9.932 2.766 1.00 1.06 H new ATOM 0 HD12 LEU A 28 -2.993 -9.008 2.610 1.00 1.06 H new ATOM 0 HD13 LEU A 28 -2.136 -9.056 4.169 1.00 1.06 H new ATOM 0 HD21 LEU A 28 -1.506 -12.189 4.102 1.00 0.91 H new ATOM 0 HD22 LEU A 28 -2.141 -11.341 5.532 1.00 0.91 H new ATOM 0 HD23 LEU A 28 -3.033 -12.720 4.846 1.00 0.91 H new ATOM 441 N CYS A 29 -7.444 -10.276 4.806 1.00 0.39 N ATOM 442 CA CYS A 29 -8.660 -9.781 5.507 1.00 0.40 C ATOM 443 C CYS A 29 -9.822 -10.725 5.203 1.00 0.36 C ATOM 444 O CYS A 29 -9.732 -11.569 4.333 1.00 0.36 O ATOM 445 CB CYS A 29 -9.002 -8.375 5.012 1.00 0.40 C ATOM 446 SG CYS A 29 -7.721 -7.214 5.546 1.00 0.47 S ATOM 0 H CYS A 29 -7.307 -9.906 3.866 1.00 0.39 H new ATOM 0 HA CYS A 29 -8.479 -9.747 6.581 1.00 0.40 H new ATOM 0 HB2 CYS A 29 -9.080 -8.371 3.925 1.00 0.40 H new ATOM 0 HB3 CYS A 29 -9.972 -8.067 5.403 1.00 0.40 H new ATOM 451 N ASN A 30 -10.914 -10.592 5.902 1.00 0.37 N ATOM 452 CA ASN A 30 -12.072 -11.488 5.632 1.00 0.38 C ATOM 453 C ASN A 30 -12.662 -11.142 4.265 1.00 0.32 C ATOM 454 O ASN A 30 -13.838 -10.863 4.139 1.00 0.36 O ATOM 455 CB ASN A 30 -13.140 -11.291 6.709 1.00 0.42 C ATOM 456 CG ASN A 30 -12.627 -11.836 8.042 1.00 1.37 C ATOM 457 OD1 ASN A 30 -11.499 -12.279 8.137 1.00 2.17 O ATOM 458 ND2 ASN A 30 -13.417 -11.832 9.080 1.00 2.11 N ATOM 0 H ASN A 30 -11.055 -9.906 6.644 1.00 0.37 H new ATOM 0 HA ASN A 30 -11.740 -12.526 5.642 1.00 0.38 H new ATOM 0 HB2 ASN A 30 -13.383 -10.233 6.806 1.00 0.42 H new ATOM 0 HB3 ASN A 30 -14.058 -11.804 6.424 1.00 0.42 H new ATOM 0 HD21 ASN A 30 -13.088 -12.201 9.972 1.00 2.11 H new ATOM 0 HD22 ASN A 30 -14.363 -11.460 8.999 1.00 2.11 H new ATOM 465 N GLY A 31 -11.856 -11.151 3.241 1.00 0.31 N ATOM 466 CA GLY A 31 -12.375 -10.815 1.887 1.00 0.29 C ATOM 467 C GLY A 31 -12.704 -9.324 1.831 1.00 0.23 C ATOM 468 O GLY A 31 -13.507 -8.885 1.032 1.00 0.26 O ATOM 0 H GLY A 31 -10.862 -11.376 3.283 1.00 0.31 H new ATOM 0 HA2 GLY A 31 -11.634 -11.065 1.128 1.00 0.29 H new ATOM 0 HA3 GLY A 31 -13.266 -11.405 1.669 1.00 0.29 H new ATOM 472 N SER A 32 -12.086 -8.539 2.671 1.00 0.22 N ATOM 473 CA SER A 32 -12.365 -7.079 2.657 1.00 0.22 C ATOM 474 C SER A 32 -11.968 -6.515 1.297 1.00 0.21 C ATOM 475 O SER A 32 -11.072 -7.021 0.646 1.00 0.26 O ATOM 476 CB SER A 32 -11.563 -6.382 3.757 1.00 0.30 C ATOM 477 OG SER A 32 -11.954 -6.899 5.022 1.00 0.35 O ATOM 0 H SER A 32 -11.403 -8.846 3.363 1.00 0.22 H new ATOM 0 HA SER A 32 -13.427 -6.908 2.835 1.00 0.22 H new ATOM 0 HB2 SER A 32 -10.496 -6.540 3.601 1.00 0.30 H new ATOM 0 HB3 SER A 32 -11.735 -5.306 3.722 1.00 0.30 H new ATOM 0 HG SER A 32 -11.441 -6.456 5.729 1.00 0.35 H new ATOM 483 N MET A 33 -12.640 -5.482 0.867 1.00 0.23 N ATOM 484 CA MET A 33 -12.331 -4.864 -0.453 1.00 0.25 C ATOM 485 C MET A 33 -11.895 -3.417 -0.228 1.00 0.21 C ATOM 486 O MET A 33 -12.249 -2.807 0.762 1.00 0.22 O ATOM 487 CB MET A 33 -13.585 -4.876 -1.324 1.00 0.35 C ATOM 488 CG MET A 33 -14.072 -6.311 -1.530 1.00 0.40 C ATOM 489 SD MET A 33 -15.605 -6.296 -2.500 1.00 0.89 S ATOM 490 CE MET A 33 -14.871 -6.252 -4.158 1.00 0.67 C ATOM 0 H MET A 33 -13.399 -5.035 1.381 1.00 0.23 H new ATOM 0 HA MET A 33 -11.537 -5.424 -0.947 1.00 0.25 H new ATOM 0 HB2 MET A 33 -14.369 -4.282 -0.854 1.00 0.35 H new ATOM 0 HB3 MET A 33 -13.371 -4.415 -2.288 1.00 0.35 H new ATOM 0 HG2 MET A 33 -13.309 -6.895 -2.045 1.00 0.40 H new ATOM 0 HG3 MET A 33 -14.244 -6.790 -0.566 1.00 0.40 H new ATOM 0 HE1 MET A 33 -15.663 -6.220 -4.906 1.00 0.67 H new ATOM 0 HE2 MET A 33 -14.245 -5.365 -4.255 1.00 0.67 H new ATOM 0 HE3 MET A 33 -14.263 -7.144 -4.311 1.00 0.67 H new ATOM 500 N VAL A 34 -11.135 -2.868 -1.143 1.00 0.19 N ATOM 501 CA VAL A 34 -10.671 -1.455 -1.005 1.00 0.18 C ATOM 502 C VAL A 34 -10.959 -0.703 -2.299 1.00 0.17 C ATOM 503 O VAL A 34 -11.158 -1.291 -3.344 1.00 0.17 O ATOM 504 CB VAL A 34 -9.170 -1.423 -0.726 1.00 0.19 C ATOM 505 CG1 VAL A 34 -8.913 -1.864 0.712 1.00 0.25 C ATOM 506 CG2 VAL A 34 -8.449 -2.366 -1.685 1.00 0.22 C ATOM 0 H VAL A 34 -10.814 -3.343 -1.986 1.00 0.19 H new ATOM 0 HA VAL A 34 -11.199 -0.983 -0.176 1.00 0.18 H new ATOM 0 HB VAL A 34 -8.796 -0.409 -0.869 1.00 0.19 H new ATOM 0 HG11 VAL A 34 -7.842 -1.842 0.913 1.00 0.25 H new ATOM 0 HG12 VAL A 34 -9.425 -1.188 1.397 1.00 0.25 H new ATOM 0 HG13 VAL A 34 -9.288 -2.877 0.854 1.00 0.25 H new ATOM 0 HG21 VAL A 34 -7.378 -2.341 -1.483 1.00 0.22 H new ATOM 0 HG22 VAL A 34 -8.821 -3.381 -1.545 1.00 0.22 H new ATOM 0 HG23 VAL A 34 -8.632 -2.050 -2.712 1.00 0.22 H new ATOM 516 N TRP A 35 -10.996 0.593 -2.231 1.00 0.18 N ATOM 517 CA TRP A 35 -11.285 1.397 -3.445 1.00 0.19 C ATOM 518 C TRP A 35 -10.073 1.404 -4.375 1.00 0.18 C ATOM 519 O TRP A 35 -8.953 1.605 -3.948 1.00 0.19 O ATOM 520 CB TRP A 35 -11.592 2.824 -3.029 1.00 0.22 C ATOM 521 CG TRP A 35 -12.879 2.880 -2.270 1.00 0.25 C ATOM 522 CD1 TRP A 35 -13.006 2.711 -0.934 1.00 0.28 C ATOM 523 CD2 TRP A 35 -14.215 3.149 -2.777 1.00 0.27 C ATOM 524 NE1 TRP A 35 -14.327 2.901 -0.584 1.00 0.33 N ATOM 525 CE2 TRP A 35 -15.116 3.158 -1.688 1.00 0.32 C ATOM 526 CE3 TRP A 35 -14.725 3.388 -4.063 1.00 0.28 C ATOM 527 CZ2 TRP A 35 -16.478 3.402 -1.867 1.00 0.37 C ATOM 528 CZ3 TRP A 35 -16.096 3.624 -4.250 1.00 0.33 C ATOM 529 CH2 TRP A 35 -16.971 3.632 -3.154 1.00 0.37 C ATOM 0 H TRP A 35 -10.838 1.134 -1.381 1.00 0.18 H new ATOM 0 HA TRP A 35 -12.136 0.960 -3.968 1.00 0.19 H new ATOM 0 HB2 TRP A 35 -10.781 3.212 -2.412 1.00 0.22 H new ATOM 0 HB3 TRP A 35 -11.655 3.461 -3.911 1.00 0.22 H new ATOM 0 HD1 TRP A 35 -12.204 2.467 -0.253 1.00 0.28 H new ATOM 0 HE1 TRP A 35 -14.678 2.857 0.373 1.00 0.33 H new ATOM 0 HE3 TRP A 35 -14.059 3.390 -4.913 1.00 0.28 H new ATOM 0 HZ2 TRP A 35 -17.146 3.413 -1.018 1.00 0.37 H new ATOM 0 HZ3 TRP A 35 -16.479 3.801 -5.244 1.00 0.33 H new ATOM 0 HH2 TRP A 35 -18.025 3.816 -3.305 1.00 0.37 H new ATOM 540 N SER A 36 -10.288 1.205 -5.646 1.00 0.20 N ATOM 541 CA SER A 36 -9.145 1.223 -6.600 1.00 0.21 C ATOM 542 C SER A 36 -8.635 2.660 -6.724 1.00 0.23 C ATOM 543 O SER A 36 -9.387 3.603 -6.574 1.00 0.28 O ATOM 544 CB SER A 36 -9.607 0.721 -7.968 1.00 0.26 C ATOM 545 OG SER A 36 -10.253 1.778 -8.662 1.00 0.97 O ATOM 0 H SER A 36 -11.202 1.031 -6.064 1.00 0.20 H new ATOM 0 HA SER A 36 -8.348 0.575 -6.237 1.00 0.21 H new ATOM 0 HB2 SER A 36 -8.754 0.361 -8.543 1.00 0.26 H new ATOM 0 HB3 SER A 36 -10.289 -0.121 -7.848 1.00 0.26 H new ATOM 0 HG SER A 36 -10.549 1.460 -9.540 1.00 0.97 H new ATOM 551 N ILE A 37 -7.365 2.829 -6.992 1.00 0.21 N ATOM 552 CA ILE A 37 -6.786 4.204 -7.124 1.00 0.24 C ATOM 553 C ILE A 37 -5.906 4.277 -8.372 1.00 0.25 C ATOM 554 O ILE A 37 -5.613 3.279 -8.998 1.00 0.25 O ATOM 555 CB ILE A 37 -5.933 4.526 -5.893 1.00 0.24 C ATOM 556 CG1 ILE A 37 -4.950 3.368 -5.632 1.00 0.22 C ATOM 557 CG2 ILE A 37 -6.864 4.716 -4.686 1.00 0.28 C ATOM 558 CD1 ILE A 37 -3.774 3.853 -4.778 1.00 0.27 C ATOM 0 H ILE A 37 -6.698 2.069 -7.126 1.00 0.21 H new ATOM 0 HA ILE A 37 -7.600 4.924 -7.206 1.00 0.24 H new ATOM 0 HB ILE A 37 -5.361 5.439 -6.058 1.00 0.24 H new ATOM 0 HG12 ILE A 37 -5.465 2.552 -5.125 1.00 0.22 H new ATOM 0 HG13 ILE A 37 -4.582 2.973 -6.579 1.00 0.22 H new ATOM 0 HG21 ILE A 37 -6.270 4.946 -3.801 1.00 0.28 H new ATOM 0 HG22 ILE A 37 -7.553 5.537 -4.884 1.00 0.28 H new ATOM 0 HG23 ILE A 37 -7.430 3.800 -4.515 1.00 0.28 H new ATOM 0 HD11 ILE A 37 -3.087 3.025 -4.601 1.00 0.27 H new ATOM 0 HD12 ILE A 37 -3.251 4.654 -5.301 1.00 0.27 H new ATOM 0 HD13 ILE A 37 -4.147 4.226 -3.824 1.00 0.27 H new ATOM 570 N ASN A 38 -5.467 5.453 -8.725 1.00 0.27 N ATOM 571 CA ASN A 38 -4.587 5.589 -9.916 1.00 0.30 C ATOM 572 C ASN A 38 -3.132 5.475 -9.465 1.00 0.28 C ATOM 573 O ASN A 38 -2.668 6.237 -8.640 1.00 0.28 O ATOM 574 CB ASN A 38 -4.814 6.952 -10.570 1.00 0.35 C ATOM 575 CG ASN A 38 -5.867 6.818 -11.670 1.00 1.36 C ATOM 576 OD1 ASN A 38 -6.893 7.467 -11.629 1.00 2.23 O ATOM 577 ND2 ASN A 38 -5.652 5.995 -12.659 1.00 2.07 N ATOM 0 H ASN A 38 -5.680 6.325 -8.240 1.00 0.27 H new ATOM 0 HA ASN A 38 -4.816 4.805 -10.638 1.00 0.30 H new ATOM 0 HB2 ASN A 38 -5.142 7.676 -9.824 1.00 0.35 H new ATOM 0 HB3 ASN A 38 -3.880 7.327 -10.989 1.00 0.35 H new ATOM 0 HD21 ASN A 38 -6.346 5.896 -13.400 1.00 2.07 H new ATOM 0 HD22 ASN A 38 -4.790 5.451 -12.692 1.00 2.07 H new ATOM 584 N LEU A 39 -2.409 4.524 -9.987 1.00 0.28 N ATOM 585 CA LEU A 39 -0.992 4.366 -9.568 1.00 0.29 C ATOM 586 C LEU A 39 -0.126 5.372 -10.331 1.00 0.31 C ATOM 587 O LEU A 39 0.144 5.204 -11.504 1.00 0.34 O ATOM 588 CB LEU A 39 -0.509 2.942 -9.878 1.00 0.31 C ATOM 589 CG LEU A 39 -1.198 1.905 -8.971 1.00 0.32 C ATOM 590 CD1 LEU A 39 -0.841 2.153 -7.491 1.00 0.36 C ATOM 591 CD2 LEU A 39 -2.724 1.939 -9.194 1.00 0.31 C ATOM 0 H LEU A 39 -2.737 3.853 -10.682 1.00 0.28 H new ATOM 0 HA LEU A 39 -0.912 4.545 -8.496 1.00 0.29 H new ATOM 0 HB2 LEU A 39 -0.713 2.706 -10.923 1.00 0.31 H new ATOM 0 HB3 LEU A 39 0.571 2.885 -9.743 1.00 0.31 H new ATOM 0 HG LEU A 39 -0.837 0.911 -9.234 1.00 0.32 H new ATOM 0 HD11 LEU A 39 -1.338 1.410 -6.867 1.00 0.36 H new ATOM 0 HD12 LEU A 39 0.238 2.075 -7.359 1.00 0.36 H new ATOM 0 HD13 LEU A 39 -1.171 3.150 -7.199 1.00 0.36 H new ATOM 0 HD21 LEU A 39 -3.203 1.202 -8.549 1.00 0.31 H new ATOM 0 HD22 LEU A 39 -3.105 2.932 -8.956 1.00 0.31 H new ATOM 0 HD23 LEU A 39 -2.945 1.706 -10.236 1.00 0.31 H new ATOM 603 N THR A 40 0.308 6.417 -9.669 1.00 0.33 N ATOM 604 CA THR A 40 1.157 7.445 -10.340 1.00 0.38 C ATOM 605 C THR A 40 2.290 7.871 -9.399 1.00 0.45 C ATOM 606 O THR A 40 3.287 7.188 -9.278 1.00 0.69 O ATOM 607 CB THR A 40 0.296 8.661 -10.687 1.00 0.40 C ATOM 608 OG1 THR A 40 -0.290 9.177 -9.500 1.00 0.44 O ATOM 609 CG2 THR A 40 -0.805 8.246 -11.664 1.00 0.46 C ATOM 0 H THR A 40 0.108 6.601 -8.686 1.00 0.33 H new ATOM 0 HA THR A 40 1.585 7.027 -11.251 1.00 0.38 H new ATOM 0 HB THR A 40 0.917 9.428 -11.149 1.00 0.40 H new ATOM 0 HG1 THR A 40 -0.841 9.957 -9.720 1.00 0.44 H new ATOM 0 HG21 THR A 40 -1.418 9.113 -11.911 1.00 0.46 H new ATOM 0 HG22 THR A 40 -0.354 7.850 -12.574 1.00 0.46 H new ATOM 0 HG23 THR A 40 -1.429 7.479 -11.205 1.00 0.46 H new ATOM 617 N ALA A 41 2.141 8.998 -8.740 1.00 0.43 N ATOM 618 CA ALA A 41 3.207 9.488 -7.806 1.00 0.50 C ATOM 619 C ALA A 41 2.728 9.383 -6.356 1.00 0.41 C ATOM 620 O ALA A 41 3.272 8.637 -5.566 1.00 0.51 O ATOM 621 CB ALA A 41 3.522 10.951 -8.124 1.00 0.64 C ATOM 0 H ALA A 41 1.322 9.602 -8.810 1.00 0.43 H new ATOM 0 HA ALA A 41 4.100 8.876 -7.933 1.00 0.50 H new ATOM 0 HB1 ALA A 41 4.297 11.312 -7.447 1.00 0.64 H new ATOM 0 HB2 ALA A 41 3.872 11.032 -9.153 1.00 0.64 H new ATOM 0 HB3 ALA A 41 2.622 11.553 -7.999 1.00 0.64 H new ATOM 627 N GLY A 42 1.716 10.126 -5.996 1.00 0.37 N ATOM 628 CA GLY A 42 1.207 10.071 -4.592 1.00 0.35 C ATOM 629 C GLY A 42 0.574 8.704 -4.320 1.00 0.25 C ATOM 630 O GLY A 42 -0.437 8.601 -3.653 1.00 0.26 O ATOM 0 H GLY A 42 1.219 10.769 -6.612 1.00 0.37 H new ATOM 0 HA2 GLY A 42 2.024 10.249 -3.893 1.00 0.35 H new ATOM 0 HA3 GLY A 42 0.472 10.860 -4.431 1.00 0.35 H new ATOM 634 N MET A 43 1.152 7.654 -4.835 1.00 0.21 N ATOM 635 CA MET A 43 0.578 6.301 -4.612 1.00 0.20 C ATOM 636 C MET A 43 0.560 5.987 -3.120 1.00 0.19 C ATOM 637 O MET A 43 -0.416 5.498 -2.597 1.00 0.21 O ATOM 638 CB MET A 43 1.446 5.263 -5.319 1.00 0.28 C ATOM 639 CG MET A 43 1.526 5.603 -6.802 1.00 0.33 C ATOM 640 SD MET A 43 2.253 4.215 -7.707 1.00 0.72 S ATOM 641 CE MET A 43 3.883 4.266 -6.925 1.00 0.36 C ATOM 0 H MET A 43 2.000 7.677 -5.402 1.00 0.21 H new ATOM 0 HA MET A 43 -0.438 6.275 -5.006 1.00 0.20 H new ATOM 0 HB2 MET A 43 2.445 5.249 -4.883 1.00 0.28 H new ATOM 0 HB3 MET A 43 1.025 4.267 -5.184 1.00 0.28 H new ATOM 0 HG2 MET A 43 0.531 5.821 -7.189 1.00 0.33 H new ATOM 0 HG3 MET A 43 2.128 6.500 -6.947 1.00 0.33 H new ATOM 0 HE1 MET A 43 4.619 3.810 -7.588 1.00 0.36 H new ATOM 0 HE2 MET A 43 4.161 5.302 -6.731 1.00 0.36 H new ATOM 0 HE3 MET A 43 3.853 3.716 -5.984 1.00 0.36 H new ATOM 651 N TYR A 44 1.639 6.258 -2.438 1.00 0.18 N ATOM 652 CA TYR A 44 1.703 5.957 -0.979 1.00 0.20 C ATOM 653 C TYR A 44 0.566 6.670 -0.251 1.00 0.20 C ATOM 654 O TYR A 44 -0.127 6.086 0.559 1.00 0.24 O ATOM 655 CB TYR A 44 3.040 6.461 -0.427 1.00 0.21 C ATOM 656 CG TYR A 44 4.174 5.663 -1.026 1.00 0.22 C ATOM 657 CD1 TYR A 44 4.757 6.074 -2.230 1.00 0.25 C ATOM 658 CD2 TYR A 44 4.636 4.509 -0.383 1.00 0.23 C ATOM 659 CE1 TYR A 44 5.805 5.333 -2.789 1.00 0.29 C ATOM 660 CE2 TYR A 44 5.683 3.767 -0.942 1.00 0.27 C ATOM 661 CZ TYR A 44 6.268 4.179 -2.145 1.00 0.30 C ATOM 662 OH TYR A 44 7.300 3.448 -2.696 1.00 0.35 O ATOM 0 H TYR A 44 2.483 6.677 -2.830 1.00 0.18 H new ATOM 0 HA TYR A 44 1.611 4.882 -0.827 1.00 0.20 H new ATOM 0 HB2 TYR A 44 3.165 7.519 -0.660 1.00 0.21 H new ATOM 0 HB3 TYR A 44 3.053 6.370 0.659 1.00 0.21 H new ATOM 0 HD1 TYR A 44 4.398 6.963 -2.728 1.00 0.25 H new ATOM 0 HD2 TYR A 44 4.184 4.191 0.545 1.00 0.23 H new ATOM 0 HE1 TYR A 44 6.256 5.651 -3.717 1.00 0.29 H new ATOM 0 HE2 TYR A 44 6.039 2.877 -0.445 1.00 0.27 H new ATOM 0 HH TYR A 44 8.139 3.672 -2.241 1.00 0.35 H new ATOM 672 N CYS A 45 0.368 7.926 -0.527 1.00 0.20 N ATOM 673 CA CYS A 45 -0.722 8.671 0.157 1.00 0.23 C ATOM 674 C CYS A 45 -2.078 8.153 -0.316 1.00 0.18 C ATOM 675 O CYS A 45 -2.934 7.820 0.479 1.00 0.18 O ATOM 676 CB CYS A 45 -0.596 10.162 -0.155 1.00 0.28 C ATOM 677 SG CYS A 45 0.939 10.796 0.566 1.00 0.58 S ATOM 0 H CYS A 45 0.913 8.469 -1.196 1.00 0.20 H new ATOM 0 HA CYS A 45 -0.642 8.522 1.234 1.00 0.23 H new ATOM 0 HB2 CYS A 45 -0.598 10.321 -1.233 1.00 0.28 H new ATOM 0 HB3 CYS A 45 -1.452 10.703 0.248 1.00 0.28 H new ATOM 682 N ALA A 46 -2.286 8.076 -1.599 1.00 0.18 N ATOM 683 CA ALA A 46 -3.592 7.570 -2.094 1.00 0.16 C ATOM 684 C ALA A 46 -3.794 6.147 -1.576 1.00 0.15 C ATOM 685 O ALA A 46 -4.863 5.778 -1.125 1.00 0.15 O ATOM 686 CB ALA A 46 -3.596 7.568 -3.623 1.00 0.19 C ATOM 0 H ALA A 46 -1.614 8.339 -2.320 1.00 0.18 H new ATOM 0 HA ALA A 46 -4.398 8.212 -1.739 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -4.555 7.196 -3.984 1.00 0.19 H new ATOM 0 HB2 ALA A 46 -3.439 8.583 -3.989 1.00 0.19 H new ATOM 0 HB3 ALA A 46 -2.797 6.923 -3.988 1.00 0.19 H new ATOM 692 N ALA A 47 -2.767 5.347 -1.630 1.00 0.17 N ATOM 693 CA ALA A 47 -2.889 3.950 -1.138 1.00 0.18 C ATOM 694 C ALA A 47 -3.174 3.951 0.361 1.00 0.17 C ATOM 695 O ALA A 47 -3.928 3.139 0.859 1.00 0.18 O ATOM 696 CB ALA A 47 -1.584 3.187 -1.398 1.00 0.21 C ATOM 0 H ALA A 47 -1.849 5.601 -1.994 1.00 0.17 H new ATOM 0 HA ALA A 47 -3.708 3.463 -1.667 1.00 0.18 H new ATOM 0 HB1 ALA A 47 -1.682 2.164 -1.034 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -1.377 3.174 -2.468 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -0.764 3.680 -0.876 1.00 0.21 H new ATOM 702 N LEU A 48 -2.553 4.833 1.090 1.00 0.17 N ATOM 703 CA LEU A 48 -2.768 4.854 2.560 1.00 0.18 C ATOM 704 C LEU A 48 -4.240 5.110 2.888 1.00 0.17 C ATOM 705 O LEU A 48 -4.853 4.353 3.606 1.00 0.19 O ATOM 706 CB LEU A 48 -1.893 5.953 3.178 1.00 0.19 C ATOM 707 CG LEU A 48 -2.085 6.026 4.707 1.00 0.21 C ATOM 708 CD1 LEU A 48 -1.703 4.670 5.343 1.00 0.25 C ATOM 709 CD2 LEU A 48 -1.203 7.177 5.246 1.00 0.24 C ATOM 0 H LEU A 48 -1.908 5.538 0.733 1.00 0.17 H new ATOM 0 HA LEU A 48 -2.492 3.885 2.975 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -0.845 5.759 2.949 1.00 0.19 H new ATOM 0 HB3 LEU A 48 -2.144 6.915 2.731 1.00 0.19 H new ATOM 0 HG LEU A 48 -3.126 6.226 4.963 1.00 0.21 H new ATOM 0 HD11 LEU A 48 -1.839 4.723 6.423 1.00 0.25 H new ATOM 0 HD12 LEU A 48 -2.340 3.885 4.935 1.00 0.25 H new ATOM 0 HD13 LEU A 48 -0.660 4.444 5.120 1.00 0.25 H new ATOM 0 HD21 LEU A 48 -1.321 7.250 6.327 1.00 0.24 H new ATOM 0 HD22 LEU A 48 -0.158 6.977 5.007 1.00 0.24 H new ATOM 0 HD23 LEU A 48 -1.508 8.116 4.784 1.00 0.24 H new ATOM 721 N GLU A 49 -4.815 6.165 2.380 1.00 0.16 N ATOM 722 CA GLU A 49 -6.242 6.447 2.708 1.00 0.17 C ATOM 723 C GLU A 49 -7.108 5.250 2.334 1.00 0.17 C ATOM 724 O GLU A 49 -8.086 4.955 2.993 1.00 0.20 O ATOM 725 CB GLU A 49 -6.724 7.693 1.958 1.00 0.17 C ATOM 726 CG GLU A 49 -6.379 7.580 0.474 1.00 0.16 C ATOM 727 CD GLU A 49 -7.039 8.736 -0.282 1.00 0.42 C ATOM 728 OE1 GLU A 49 -8.110 9.150 0.129 1.00 1.20 O ATOM 729 OE2 GLU A 49 -6.468 9.184 -1.261 1.00 1.23 O ATOM 0 H GLU A 49 -4.365 6.838 1.759 1.00 0.16 H new ATOM 0 HA GLU A 49 -6.325 6.628 3.780 1.00 0.17 H new ATOM 0 HB2 GLU A 49 -7.801 7.807 2.081 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -6.259 8.584 2.380 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -5.298 7.608 0.336 1.00 0.16 H new ATOM 0 HG3 GLU A 49 -6.726 6.625 0.079 1.00 0.16 H new ATOM 736 N SER A 50 -6.771 4.553 1.290 1.00 0.17 N ATOM 737 CA SER A 50 -7.598 3.379 0.904 1.00 0.19 C ATOM 738 C SER A 50 -7.484 2.295 1.986 1.00 0.19 C ATOM 739 O SER A 50 -8.453 1.653 2.339 1.00 0.21 O ATOM 740 CB SER A 50 -7.097 2.820 -0.427 1.00 0.21 C ATOM 741 OG SER A 50 -7.035 3.869 -1.383 1.00 1.36 O ATOM 0 H SER A 50 -5.967 4.741 0.691 1.00 0.17 H new ATOM 0 HA SER A 50 -8.639 3.686 0.803 1.00 0.19 H new ATOM 0 HB2 SER A 50 -6.112 2.371 -0.298 1.00 0.21 H new ATOM 0 HB3 SER A 50 -7.763 2.032 -0.778 1.00 0.21 H new ATOM 0 HG SER A 50 -6.238 4.415 -1.218 1.00 1.36 H new ATOM 747 N LEU A 51 -6.304 2.087 2.509 1.00 0.19 N ATOM 748 CA LEU A 51 -6.117 1.045 3.565 1.00 0.21 C ATOM 749 C LEU A 51 -6.795 1.496 4.860 1.00 0.22 C ATOM 750 O LEU A 51 -7.314 0.697 5.615 1.00 0.25 O ATOM 751 CB LEU A 51 -4.620 0.843 3.816 1.00 0.23 C ATOM 752 CG LEU A 51 -3.971 0.206 2.579 1.00 0.26 C ATOM 753 CD1 LEU A 51 -2.454 0.168 2.762 1.00 0.30 C ATOM 754 CD2 LEU A 51 -4.491 -1.225 2.369 1.00 0.29 C ATOM 0 H LEU A 51 -5.458 2.595 2.250 1.00 0.19 H new ATOM 0 HA LEU A 51 -6.563 0.108 3.233 1.00 0.21 H new ATOM 0 HB2 LEU A 51 -4.146 1.799 4.036 1.00 0.23 H new ATOM 0 HB3 LEU A 51 -4.470 0.205 4.687 1.00 0.23 H new ATOM 0 HG LEU A 51 -4.227 0.805 1.705 1.00 0.26 H new ATOM 0 HD11 LEU A 51 -1.993 -0.284 1.884 1.00 0.30 H new ATOM 0 HD12 LEU A 51 -2.077 1.183 2.888 1.00 0.30 H new ATOM 0 HD13 LEU A 51 -2.209 -0.422 3.645 1.00 0.30 H new ATOM 0 HD21 LEU A 51 -4.019 -1.658 1.487 1.00 0.29 H new ATOM 0 HD22 LEU A 51 -4.252 -1.831 3.243 1.00 0.29 H new ATOM 0 HD23 LEU A 51 -5.572 -1.202 2.227 1.00 0.29 H new ATOM 766 N ILE A 52 -6.793 2.773 5.121 1.00 0.22 N ATOM 767 CA ILE A 52 -7.435 3.288 6.363 1.00 0.25 C ATOM 768 C ILE A 52 -8.893 2.805 6.408 1.00 0.25 C ATOM 769 O ILE A 52 -9.532 2.813 7.442 1.00 0.28 O ATOM 770 CB ILE A 52 -7.367 4.827 6.348 1.00 0.26 C ATOM 771 CG1 ILE A 52 -5.917 5.308 6.586 1.00 0.29 C ATOM 772 CG2 ILE A 52 -8.304 5.432 7.397 1.00 0.28 C ATOM 773 CD1 ILE A 52 -5.365 4.852 7.948 1.00 0.36 C ATOM 0 H ILE A 52 -6.372 3.486 4.525 1.00 0.22 H new ATOM 0 HA ILE A 52 -6.919 2.919 7.249 1.00 0.25 H new ATOM 0 HB ILE A 52 -7.693 5.166 5.365 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -5.276 4.928 5.791 1.00 0.29 H new ATOM 0 HG13 ILE A 52 -5.884 6.396 6.529 1.00 0.29 H new ATOM 0 HG21 ILE A 52 -8.235 6.519 7.363 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -9.329 5.127 7.188 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -8.016 5.081 8.388 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -4.344 5.215 8.067 1.00 0.36 H new ATOM 0 HD12 ILE A 52 -5.989 5.254 8.746 1.00 0.36 H new ATOM 0 HD13 ILE A 52 -5.371 3.763 7.997 1.00 0.36 H new ATOM 785 N ASN A 53 -9.423 2.365 5.299 1.00 0.25 N ATOM 786 CA ASN A 53 -10.831 1.871 5.297 1.00 0.27 C ATOM 787 C ASN A 53 -10.859 0.407 5.754 1.00 0.26 C ATOM 788 O ASN A 53 -11.892 -0.117 6.122 1.00 0.31 O ATOM 789 CB ASN A 53 -11.408 1.976 3.882 1.00 0.31 C ATOM 790 CG ASN A 53 -11.420 3.441 3.443 1.00 0.36 C ATOM 791 OD1 ASN A 53 -10.381 4.024 3.206 1.00 1.09 O ATOM 792 ND2 ASN A 53 -12.560 4.064 3.320 1.00 1.20 N ATOM 0 H ASN A 53 -8.946 2.326 4.399 1.00 0.25 H new ATOM 0 HA ASN A 53 -11.429 2.476 5.978 1.00 0.27 H new ATOM 0 HB2 ASN A 53 -10.811 1.383 3.189 1.00 0.31 H new ATOM 0 HB3 ASN A 53 -12.419 1.570 3.859 1.00 0.31 H new ATOM 0 HD21 ASN A 53 -12.578 5.040 3.025 1.00 1.20 H new ATOM 0 HD22 ASN A 53 -13.433 3.575 3.519 1.00 1.20 H new ATOM 799 N VAL A 54 -9.732 -0.255 5.740 1.00 0.23 N ATOM 800 CA VAL A 54 -9.695 -1.682 6.180 1.00 0.24 C ATOM 801 C VAL A 54 -9.387 -1.739 7.677 1.00 0.29 C ATOM 802 O VAL A 54 -8.376 -1.233 8.123 1.00 0.33 O ATOM 803 CB VAL A 54 -8.604 -2.430 5.406 1.00 0.23 C ATOM 804 CG1 VAL A 54 -8.633 -3.922 5.755 1.00 0.28 C ATOM 805 CG2 VAL A 54 -8.842 -2.252 3.908 1.00 0.26 C ATOM 0 H VAL A 54 -8.835 0.130 5.443 1.00 0.23 H new ATOM 0 HA VAL A 54 -10.660 -2.149 5.985 1.00 0.24 H new ATOM 0 HB VAL A 54 -7.630 -2.025 5.679 1.00 0.23 H new ATOM 0 HG11 VAL A 54 -7.853 -4.441 5.198 1.00 0.28 H new ATOM 0 HG12 VAL A 54 -8.462 -4.049 6.824 1.00 0.28 H new ATOM 0 HG13 VAL A 54 -9.605 -4.338 5.491 1.00 0.28 H new ATOM 0 HG21 VAL A 54 -8.069 -2.782 3.351 1.00 0.26 H new ATOM 0 HG22 VAL A 54 -9.820 -2.655 3.645 1.00 0.26 H new ATOM 0 HG23 VAL A 54 -8.807 -1.192 3.658 1.00 0.26 H new ATOM 815 N SER A 55 -10.256 -2.345 8.448 1.00 0.36 N ATOM 816 CA SER A 55 -10.037 -2.441 9.925 1.00 0.44 C ATOM 817 C SER A 55 -10.172 -3.898 10.373 1.00 0.45 C ATOM 818 O SER A 55 -10.970 -4.648 9.846 1.00 0.45 O ATOM 819 CB SER A 55 -11.084 -1.591 10.645 1.00 0.56 C ATOM 820 OG SER A 55 -10.814 -0.215 10.409 1.00 0.59 O ATOM 0 H SER A 55 -11.115 -2.781 8.114 1.00 0.36 H new ATOM 0 HA SER A 55 -9.038 -2.080 10.168 1.00 0.44 H new ATOM 0 HB2 SER A 55 -12.083 -1.844 10.289 1.00 0.56 H new ATOM 0 HB3 SER A 55 -11.065 -1.799 11.715 1.00 0.56 H new ATOM 0 HG SER A 55 -11.484 0.333 10.868 1.00 0.59 H new ATOM 826 N GLY A 56 -9.396 -4.300 11.346 1.00 0.48 N ATOM 827 CA GLY A 56 -9.472 -5.706 11.841 1.00 0.50 C ATOM 828 C GLY A 56 -8.373 -6.548 11.189 1.00 0.46 C ATOM 829 O GLY A 56 -8.270 -7.734 11.434 1.00 0.77 O ATOM 0 H GLY A 56 -8.711 -3.712 11.820 1.00 0.48 H new ATOM 0 HA2 GLY A 56 -9.362 -5.725 12.925 1.00 0.50 H new ATOM 0 HA3 GLY A 56 -10.450 -6.129 11.612 1.00 0.50 H new ATOM 833 N CYS A 57 -7.555 -5.940 10.364 1.00 0.35 N ATOM 834 CA CYS A 57 -6.452 -6.689 9.685 1.00 0.32 C ATOM 835 C CYS A 57 -5.098 -6.236 10.242 1.00 0.34 C ATOM 836 O CYS A 57 -4.529 -5.261 9.797 1.00 0.37 O ATOM 837 CB CYS A 57 -6.498 -6.406 8.183 1.00 0.32 C ATOM 838 SG CYS A 57 -8.093 -6.934 7.512 1.00 0.37 S ATOM 0 H CYS A 57 -7.605 -4.948 10.130 1.00 0.35 H new ATOM 0 HA CYS A 57 -6.578 -7.757 9.865 1.00 0.32 H new ATOM 0 HB2 CYS A 57 -6.349 -5.342 7.999 1.00 0.32 H new ATOM 0 HB3 CYS A 57 -5.688 -6.933 7.679 1.00 0.32 H new ATOM 843 N SER A 58 -4.576 -6.938 11.209 1.00 0.37 N ATOM 844 CA SER A 58 -3.255 -6.550 11.783 1.00 0.43 C ATOM 845 C SER A 58 -2.143 -6.906 10.792 1.00 0.43 C ATOM 846 O SER A 58 -1.110 -6.268 10.744 1.00 0.49 O ATOM 847 CB SER A 58 -3.025 -7.297 13.096 1.00 0.53 C ATOM 848 OG SER A 58 -1.725 -6.994 13.585 1.00 0.61 O ATOM 0 H SER A 58 -5.006 -7.763 11.627 1.00 0.37 H new ATOM 0 HA SER A 58 -3.245 -5.477 11.972 1.00 0.43 H new ATOM 0 HB2 SER A 58 -3.779 -7.009 13.829 1.00 0.53 H new ATOM 0 HB3 SER A 58 -3.127 -8.371 12.940 1.00 0.53 H new ATOM 0 HG SER A 58 -1.574 -7.470 14.428 1.00 0.61 H new ATOM 854 N ALA A 59 -2.341 -7.931 10.011 1.00 0.43 N ATOM 855 CA ALA A 59 -1.292 -8.343 9.037 1.00 0.50 C ATOM 856 C ALA A 59 -0.856 -7.143 8.189 1.00 0.47 C ATOM 857 O ALA A 59 0.244 -7.120 7.671 1.00 0.61 O ATOM 858 CB ALA A 59 -1.852 -9.436 8.123 1.00 0.51 C ATOM 0 H ALA A 59 -3.186 -8.502 10.005 1.00 0.43 H new ATOM 0 HA ALA A 59 -0.428 -8.723 9.583 1.00 0.50 H new ATOM 0 HB1 ALA A 59 -1.087 -9.740 7.409 1.00 0.51 H new ATOM 0 HB2 ALA A 59 -2.150 -10.295 8.724 1.00 0.51 H new ATOM 0 HB3 ALA A 59 -2.719 -9.052 7.585 1.00 0.51 H new ATOM 864 N ILE A 60 -1.710 -6.154 8.041 1.00 0.36 N ATOM 865 CA ILE A 60 -1.354 -4.949 7.220 1.00 0.38 C ATOM 866 C ILE A 60 -1.147 -3.725 8.122 1.00 0.37 C ATOM 867 O ILE A 60 -0.850 -2.647 7.647 1.00 0.32 O ATOM 868 CB ILE A 60 -2.475 -4.666 6.209 1.00 0.41 C ATOM 869 CG1 ILE A 60 -3.797 -4.399 6.941 1.00 0.41 C ATOM 870 CG2 ILE A 60 -2.644 -5.871 5.278 1.00 0.46 C ATOM 871 CD1 ILE A 60 -4.883 -4.057 5.920 1.00 0.50 C ATOM 0 H ILE A 60 -2.642 -6.130 8.455 1.00 0.36 H new ATOM 0 HA ILE A 60 -0.424 -5.149 6.688 1.00 0.38 H new ATOM 0 HB ILE A 60 -2.208 -3.785 5.626 1.00 0.41 H new ATOM 0 HG12 ILE A 60 -4.089 -5.276 7.519 1.00 0.41 H new ATOM 0 HG13 ILE A 60 -3.675 -3.578 7.647 1.00 0.41 H new ATOM 0 HG21 ILE A 60 -3.440 -5.668 4.561 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -1.711 -6.051 4.743 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -2.901 -6.752 5.866 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -5.823 -3.867 6.438 1.00 0.50 H new ATOM 0 HD12 ILE A 60 -4.590 -3.168 5.362 1.00 0.50 H new ATOM 0 HD13 ILE A 60 -5.011 -4.892 5.231 1.00 0.50 H new ATOM 883 N GLU A 61 -1.300 -3.867 9.411 1.00 0.43 N ATOM 884 CA GLU A 61 -1.106 -2.685 10.305 1.00 0.44 C ATOM 885 C GLU A 61 0.296 -2.118 10.092 1.00 0.37 C ATOM 886 O GLU A 61 0.477 -0.934 9.892 1.00 0.35 O ATOM 887 CB GLU A 61 -1.259 -3.109 11.770 1.00 0.56 C ATOM 888 CG GLU A 61 -2.574 -2.566 12.331 1.00 1.38 C ATOM 889 CD GLU A 61 -2.704 -2.970 13.801 1.00 1.74 C ATOM 890 OE1 GLU A 61 -1.680 -3.180 14.430 1.00 2.26 O ATOM 891 OE2 GLU A 61 -3.825 -3.056 14.275 1.00 2.22 O ATOM 0 H GLU A 61 -1.548 -4.738 9.881 1.00 0.43 H new ATOM 0 HA GLU A 61 -1.854 -1.928 10.068 1.00 0.44 H new ATOM 0 HB2 GLU A 61 -1.241 -4.196 11.847 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -0.420 -2.734 12.356 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -2.602 -1.480 12.237 1.00 1.38 H new ATOM 0 HG3 GLU A 61 -3.415 -2.957 11.759 1.00 1.38 H new ATOM 898 N LYS A 62 1.286 -2.960 10.127 1.00 0.35 N ATOM 899 CA LYS A 62 2.683 -2.492 9.919 1.00 0.33 C ATOM 900 C LYS A 62 2.798 -1.849 8.535 1.00 0.27 C ATOM 901 O LYS A 62 3.480 -0.860 8.351 1.00 0.27 O ATOM 902 CB LYS A 62 3.621 -3.693 10.015 1.00 0.36 C ATOM 903 CG LYS A 62 3.565 -4.253 11.438 1.00 0.43 C ATOM 904 CD LYS A 62 4.485 -5.469 11.549 1.00 0.60 C ATOM 905 CE LYS A 62 4.378 -6.058 12.956 1.00 1.13 C ATOM 906 NZ LYS A 62 5.212 -7.289 13.043 1.00 1.84 N ATOM 0 H LYS A 62 1.188 -3.962 10.292 1.00 0.35 H new ATOM 0 HA LYS A 62 2.952 -1.756 10.677 1.00 0.33 H new ATOM 0 HB2 LYS A 62 3.328 -4.459 9.297 1.00 0.36 H new ATOM 0 HB3 LYS A 62 4.640 -3.396 9.766 1.00 0.36 H new ATOM 0 HG2 LYS A 62 3.869 -3.488 12.153 1.00 0.43 H new ATOM 0 HG3 LYS A 62 2.542 -4.534 11.689 1.00 0.43 H new ATOM 0 HD2 LYS A 62 4.208 -6.218 10.807 1.00 0.60 H new ATOM 0 HD3 LYS A 62 5.515 -5.180 11.341 1.00 0.60 H new ATOM 0 HE2 LYS A 62 4.710 -5.328 13.694 1.00 1.13 H new ATOM 0 HE3 LYS A 62 3.339 -6.293 13.186 1.00 1.13 H new ATOM 0 HZ1 LYS A 62 5.140 -7.690 14.000 1.00 1.84 H new ATOM 0 HZ2 LYS A 62 4.875 -7.986 12.349 1.00 1.84 H new ATOM 0 HZ3 LYS A 62 6.204 -7.051 12.841 1.00 1.84 H new ATOM 920 N THR A 63 2.139 -2.411 7.557 1.00 0.24 N ATOM 921 CA THR A 63 2.212 -1.846 6.179 1.00 0.21 C ATOM 922 C THR A 63 1.746 -0.392 6.209 1.00 0.21 C ATOM 923 O THR A 63 2.333 0.466 5.585 1.00 0.19 O ATOM 924 CB THR A 63 1.287 -2.655 5.257 1.00 0.22 C ATOM 925 OG1 THR A 63 1.637 -4.029 5.337 1.00 0.25 O ATOM 926 CG2 THR A 63 1.428 -2.190 3.800 1.00 0.24 C ATOM 0 H THR A 63 1.552 -3.239 7.654 1.00 0.24 H new ATOM 0 HA THR A 63 3.237 -1.896 5.811 1.00 0.21 H new ATOM 0 HB THR A 63 0.256 -2.504 5.577 1.00 0.22 H new ATOM 0 HG1 THR A 63 1.049 -4.551 4.752 1.00 0.25 H new ATOM 0 HG21 THR A 63 0.764 -2.777 3.165 1.00 0.24 H new ATOM 0 HG22 THR A 63 1.162 -1.136 3.727 1.00 0.24 H new ATOM 0 HG23 THR A 63 2.458 -2.328 3.472 1.00 0.24 H new ATOM 934 N GLN A 64 0.697 -0.102 6.918 1.00 0.25 N ATOM 935 CA GLN A 64 0.211 1.299 6.955 1.00 0.28 C ATOM 936 C GLN A 64 1.317 2.192 7.515 1.00 0.28 C ATOM 937 O GLN A 64 1.540 3.289 7.042 1.00 0.29 O ATOM 938 CB GLN A 64 -1.033 1.386 7.841 1.00 0.35 C ATOM 939 CG GLN A 64 -2.165 0.576 7.204 1.00 0.38 C ATOM 940 CD GLN A 64 -3.443 0.741 8.028 1.00 0.86 C ATOM 941 OE1 GLN A 64 -3.390 0.893 9.232 1.00 1.52 O ATOM 942 NE2 GLN A 64 -4.599 0.719 7.422 1.00 1.47 N ATOM 0 H GLN A 64 0.158 -0.769 7.470 1.00 0.25 H new ATOM 0 HA GLN A 64 -0.049 1.630 5.950 1.00 0.28 H new ATOM 0 HB2 GLN A 64 -0.812 1.003 8.837 1.00 0.35 H new ATOM 0 HB3 GLN A 64 -1.337 2.426 7.960 1.00 0.35 H new ATOM 0 HG2 GLN A 64 -2.334 0.912 6.181 1.00 0.38 H new ATOM 0 HG3 GLN A 64 -1.887 -0.477 7.152 1.00 0.38 H new ATOM 0 HE21 GLN A 64 -4.642 0.591 6.411 1.00 1.47 H new ATOM 0 HE22 GLN A 64 -5.459 0.830 7.960 1.00 1.47 H new ATOM 951 N ARG A 65 2.021 1.729 8.510 1.00 0.31 N ATOM 952 CA ARG A 65 3.121 2.552 9.086 1.00 0.35 C ATOM 953 C ARG A 65 4.220 2.785 8.044 1.00 0.30 C ATOM 954 O ARG A 65 4.659 3.898 7.838 1.00 0.30 O ATOM 955 CB ARG A 65 3.727 1.830 10.291 1.00 0.43 C ATOM 956 CG ARG A 65 3.132 2.382 11.588 1.00 1.34 C ATOM 957 CD ARG A 65 3.776 1.676 12.781 1.00 1.54 C ATOM 958 NE ARG A 65 4.952 2.466 13.244 1.00 2.29 N ATOM 959 CZ ARG A 65 5.480 2.226 14.412 1.00 2.82 C ATOM 960 NH1 ARG A 65 4.986 1.285 15.168 1.00 2.91 N ATOM 961 NH2 ARG A 65 6.503 2.925 14.822 1.00 3.77 N ATOM 0 H ARG A 65 1.883 0.818 8.948 1.00 0.31 H new ATOM 0 HA ARG A 65 2.708 3.513 9.393 1.00 0.35 H new ATOM 0 HB2 ARG A 65 3.533 0.760 10.219 1.00 0.43 H new ATOM 0 HB3 ARG A 65 4.809 1.958 10.295 1.00 0.43 H new ATOM 0 HG2 ARG A 65 3.303 3.457 11.651 1.00 1.34 H new ATOM 0 HG3 ARG A 65 2.053 2.230 11.600 1.00 1.34 H new ATOM 0 HD2 ARG A 65 3.053 1.571 13.590 1.00 1.54 H new ATOM 0 HD3 ARG A 65 4.087 0.670 12.499 1.00 1.54 H new ATOM 0 HE ARG A 65 5.344 3.194 12.647 1.00 2.29 H new ATOM 0 HH11 ARG A 65 4.188 0.738 14.845 1.00 2.91 H new ATOM 0 HH12 ARG A 65 5.398 1.096 16.082 1.00 2.91 H new ATOM 0 HH21 ARG A 65 6.890 3.659 14.229 1.00 3.77 H new ATOM 0 HH22 ARG A 65 6.916 2.737 15.736 1.00 3.77 H new ATOM 975 N MET A 66 4.685 1.748 7.399 1.00 0.28 N ATOM 976 CA MET A 66 5.771 1.936 6.394 1.00 0.27 C ATOM 977 C MET A 66 5.287 2.871 5.281 1.00 0.23 C ATOM 978 O MET A 66 6.018 3.722 4.815 1.00 0.24 O ATOM 979 CB MET A 66 6.175 0.580 5.800 1.00 0.29 C ATOM 980 CG MET A 66 6.899 -0.257 6.866 1.00 0.36 C ATOM 981 SD MET A 66 7.682 -1.701 6.099 1.00 0.66 S ATOM 982 CE MET A 66 6.208 -2.742 5.953 1.00 0.39 C ATOM 0 H MET A 66 4.363 0.788 7.523 1.00 0.28 H new ATOM 0 HA MET A 66 6.638 2.380 6.883 1.00 0.27 H new ATOM 0 HB2 MET A 66 5.291 0.049 5.446 1.00 0.29 H new ATOM 0 HB3 MET A 66 6.825 0.729 4.938 1.00 0.29 H new ATOM 0 HG2 MET A 66 7.652 0.351 7.367 1.00 0.36 H new ATOM 0 HG3 MET A 66 6.191 -0.580 7.629 1.00 0.36 H new ATOM 0 HE1 MET A 66 6.468 -3.672 5.448 1.00 0.39 H new ATOM 0 HE2 MET A 66 5.820 -2.965 6.947 1.00 0.39 H new ATOM 0 HE3 MET A 66 5.447 -2.217 5.376 1.00 0.39 H new ATOM 992 N LEU A 67 4.059 2.732 4.860 1.00 0.20 N ATOM 993 CA LEU A 67 3.534 3.628 3.788 1.00 0.20 C ATOM 994 C LEU A 67 3.566 5.075 4.287 1.00 0.22 C ATOM 995 O LEU A 67 3.893 5.987 3.555 1.00 0.24 O ATOM 996 CB LEU A 67 2.093 3.237 3.435 1.00 0.21 C ATOM 997 CG LEU A 67 2.052 1.851 2.762 1.00 0.20 C ATOM 998 CD1 LEU A 67 0.598 1.392 2.658 1.00 0.23 C ATOM 999 CD2 LEU A 67 2.644 1.902 1.346 1.00 0.22 C ATOM 0 H LEU A 67 3.398 2.039 5.210 1.00 0.20 H new ATOM 0 HA LEU A 67 4.154 3.530 2.897 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.483 3.226 4.338 1.00 0.21 H new ATOM 0 HB3 LEU A 67 1.662 3.983 2.768 1.00 0.21 H new ATOM 0 HG LEU A 67 2.641 1.161 3.366 1.00 0.20 H new ATOM 0 HD11 LEU A 67 0.559 0.412 2.183 1.00 0.23 H new ATOM 0 HD12 LEU A 67 0.164 1.329 3.656 1.00 0.23 H new ATOM 0 HD13 LEU A 67 0.032 2.107 2.061 1.00 0.23 H new ATOM 0 HD21 LEU A 67 2.601 0.909 0.898 1.00 0.22 H new ATOM 0 HD22 LEU A 67 2.070 2.601 0.737 1.00 0.22 H new ATOM 0 HD23 LEU A 67 3.682 2.232 1.397 1.00 0.22 H new ATOM 1011 N SER A 68 3.226 5.293 5.529 1.00 0.25 N ATOM 1012 CA SER A 68 3.239 6.681 6.071 1.00 0.29 C ATOM 1013 C SER A 68 4.645 7.265 5.930 1.00 0.28 C ATOM 1014 O SER A 68 4.815 8.435 5.650 1.00 0.31 O ATOM 1015 CB SER A 68 2.826 6.666 7.544 1.00 0.35 C ATOM 1016 OG SER A 68 1.433 6.394 7.636 1.00 0.39 O ATOM 0 H SER A 68 2.940 4.571 6.190 1.00 0.25 H new ATOM 0 HA SER A 68 2.534 7.297 5.513 1.00 0.29 H new ATOM 0 HB2 SER A 68 3.393 5.909 8.085 1.00 0.35 H new ATOM 0 HB3 SER A 68 3.053 7.626 8.008 1.00 0.35 H new ATOM 0 HG SER A 68 1.274 5.441 7.472 1.00 0.39 H new ATOM 1022 N GLY A 69 5.655 6.462 6.119 1.00 0.27 N ATOM 1023 CA GLY A 69 7.048 6.979 5.988 1.00 0.29 C ATOM 1024 C GLY A 69 7.192 7.724 4.657 1.00 0.29 C ATOM 1025 O GLY A 69 7.963 8.655 4.536 1.00 0.32 O ATOM 0 H GLY A 69 5.578 5.473 6.358 1.00 0.27 H new ATOM 0 HA2 GLY A 69 7.279 7.647 6.818 1.00 0.29 H new ATOM 0 HA3 GLY A 69 7.759 6.154 6.035 1.00 0.29 H new ATOM 1029 N PHE A 70 6.452 7.322 3.658 1.00 0.27 N ATOM 1030 CA PHE A 70 6.535 8.006 2.333 1.00 0.31 C ATOM 1031 C PHE A 70 5.415 9.042 2.230 1.00 0.35 C ATOM 1032 O PHE A 70 5.325 9.781 1.269 1.00 0.48 O ATOM 1033 CB PHE A 70 6.342 6.976 1.218 1.00 0.31 C ATOM 1034 CG PHE A 70 7.493 6.003 1.205 1.00 0.29 C ATOM 1035 CD1 PHE A 70 7.430 4.837 1.975 1.00 0.30 C ATOM 1036 CD2 PHE A 70 8.619 6.263 0.417 1.00 0.31 C ATOM 1037 CE1 PHE A 70 8.494 3.930 1.959 1.00 0.31 C ATOM 1038 CE2 PHE A 70 9.683 5.355 0.397 1.00 0.32 C ATOM 1039 CZ PHE A 70 9.621 4.188 1.169 1.00 0.32 C ATOM 0 H PHE A 70 5.791 6.546 3.702 1.00 0.27 H new ATOM 0 HA PHE A 70 7.508 8.489 2.236 1.00 0.31 H new ATOM 0 HB2 PHE A 70 5.405 6.440 1.366 1.00 0.31 H new ATOM 0 HB3 PHE A 70 6.272 7.481 0.254 1.00 0.31 H new ATOM 0 HD1 PHE A 70 6.559 4.637 2.582 1.00 0.30 H new ATOM 0 HD2 PHE A 70 8.667 7.164 -0.176 1.00 0.31 H new ATOM 0 HE1 PHE A 70 8.447 3.031 2.556 1.00 0.31 H new ATOM 0 HE2 PHE A 70 10.552 5.554 -0.213 1.00 0.32 H new ATOM 0 HZ PHE A 70 10.443 3.487 1.155 1.00 0.32 H new ATOM 1049 N CYS A 71 4.549 9.073 3.206 1.00 0.32 N ATOM 1050 CA CYS A 71 3.400 10.025 3.186 1.00 0.41 C ATOM 1051 C CYS A 71 3.247 10.669 4.583 1.00 0.41 C ATOM 1052 O CYS A 71 2.523 10.158 5.413 1.00 0.53 O ATOM 1053 CB CYS A 71 2.140 9.228 2.854 1.00 0.65 C ATOM 1054 SG CYS A 71 0.780 10.365 2.534 1.00 1.28 S ATOM 0 H CYS A 71 4.589 8.471 4.028 1.00 0.32 H new ATOM 0 HA CYS A 71 3.563 10.810 2.447 1.00 0.41 H new ATOM 0 HB2 CYS A 71 2.314 8.598 1.982 1.00 0.65 H new ATOM 0 HB3 CYS A 71 1.887 8.565 3.681 1.00 0.65 H new ATOM 1059 N PRO A 72 3.943 11.757 4.866 1.00 0.46 N ATOM 1060 CA PRO A 72 3.866 12.398 6.217 1.00 0.67 C ATOM 1061 C PRO A 72 2.474 12.909 6.632 1.00 0.74 C ATOM 1062 O PRO A 72 2.255 13.180 7.796 1.00 1.04 O ATOM 1063 CB PRO A 72 4.837 13.571 6.089 1.00 0.84 C ATOM 1064 CG PRO A 72 5.549 13.483 4.737 1.00 0.73 C ATOM 1065 CD PRO A 72 4.854 12.419 3.888 1.00 0.51 C ATOM 0 HA PRO A 72 4.101 11.670 6.994 1.00 0.67 H new ATOM 0 HB2 PRO A 72 4.299 14.516 6.171 1.00 0.84 H new ATOM 0 HB3 PRO A 72 5.565 13.548 6.900 1.00 0.84 H new ATOM 0 HG2 PRO A 72 5.521 14.448 4.231 1.00 0.73 H new ATOM 0 HG3 PRO A 72 6.599 13.228 4.878 1.00 0.73 H new ATOM 0 HD2 PRO A 72 4.303 12.861 3.058 1.00 0.51 H new ATOM 0 HD3 PRO A 72 5.567 11.715 3.459 1.00 0.51 H new ATOM 1073 N HIS A 73 1.533 13.046 5.726 1.00 0.76 N ATOM 1074 CA HIS A 73 0.181 13.545 6.147 1.00 0.95 C ATOM 1075 C HIS A 73 -0.707 12.353 6.509 1.00 0.64 C ATOM 1076 O HIS A 73 -0.964 11.479 5.706 1.00 0.86 O ATOM 1077 CB HIS A 73 -0.462 14.382 5.033 1.00 1.53 C ATOM 1078 CG HIS A 73 -1.096 13.498 4.002 1.00 0.85 C ATOM 1079 ND1 HIS A 73 -2.428 13.115 4.063 1.00 0.78 N ATOM 1080 CD2 HIS A 73 -0.596 12.937 2.861 1.00 1.00 C ATOM 1081 CE1 HIS A 73 -2.679 12.354 2.981 1.00 1.09 C ATOM 1082 NE2 HIS A 73 -1.595 12.214 2.215 1.00 1.46 N ATOM 0 H HIS A 73 1.637 12.839 4.733 1.00 0.76 H new ATOM 0 HA HIS A 73 0.293 14.187 7.020 1.00 0.95 H new ATOM 0 HB2 HIS A 73 -1.213 15.048 5.459 1.00 1.53 H new ATOM 0 HB3 HIS A 73 0.293 15.012 4.563 1.00 1.53 H new ATOM 0 HD1 HIS A 73 -3.095 13.364 4.794 1.00 0.78 H new ATOM 0 HD2 HIS A 73 0.421 13.039 2.513 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -3.639 11.911 2.760 1.00 1.09 H new ATOM 1090 N LYS A 74 -1.148 12.313 7.738 1.00 0.59 N ATOM 1091 CA LYS A 74 -1.996 11.185 8.217 1.00 0.72 C ATOM 1092 C LYS A 74 -3.410 11.324 7.655 1.00 0.55 C ATOM 1093 O LYS A 74 -3.828 12.402 7.280 1.00 0.62 O ATOM 1094 CB LYS A 74 -2.058 11.238 9.744 1.00 1.15 C ATOM 1095 CG LYS A 74 -0.637 11.225 10.314 1.00 1.42 C ATOM 1096 CD LYS A 74 -0.695 11.447 11.826 1.00 2.06 C ATOM 1097 CE LYS A 74 0.726 11.470 12.391 1.00 2.49 C ATOM 1098 NZ LYS A 74 0.685 11.899 13.817 1.00 3.26 N ATOM 0 H LYS A 74 -0.953 13.026 8.441 1.00 0.59 H new ATOM 0 HA LYS A 74 -1.570 10.238 7.885 1.00 0.72 H new ATOM 0 HB2 LYS A 74 -2.582 12.138 10.066 1.00 1.15 H new ATOM 0 HB3 LYS A 74 -2.622 10.387 10.125 1.00 1.15 H new ATOM 0 HG2 LYS A 74 -0.153 10.273 10.093 1.00 1.42 H new ATOM 0 HG3 LYS A 74 -0.037 12.004 9.844 1.00 1.42 H new ATOM 0 HD2 LYS A 74 -1.201 12.386 12.048 1.00 2.06 H new ATOM 0 HD3 LYS A 74 -1.274 10.654 12.299 1.00 2.06 H new ATOM 0 HE2 LYS A 74 1.177 10.481 12.310 1.00 2.49 H new ATOM 0 HE3 LYS A 74 1.348 12.153 11.812 1.00 2.49 H new ATOM 0 HZ1 LYS A 74 1.651 11.915 14.203 1.00 3.26 H new ATOM 0 HZ2 LYS A 74 0.271 12.851 13.881 1.00 3.26 H new ATOM 0 HZ3 LYS A 74 0.105 11.231 14.364 1.00 3.26 H new ATOM 1112 N VAL A 75 -4.139 10.237 7.592 1.00 0.50 N ATOM 1113 CA VAL A 75 -5.532 10.282 7.054 1.00 0.38 C ATOM 1114 C VAL A 75 -6.484 9.564 8.019 1.00 0.40 C ATOM 1115 O VAL A 75 -6.238 8.447 8.431 1.00 0.54 O ATOM 1116 CB VAL A 75 -5.559 9.592 5.691 1.00 0.51 C ATOM 1117 CG1 VAL A 75 -6.947 9.747 5.072 1.00 1.20 C ATOM 1118 CG2 VAL A 75 -4.510 10.236 4.782 1.00 1.18 C ATOM 0 H VAL A 75 -3.825 9.314 7.893 1.00 0.50 H new ATOM 0 HA VAL A 75 -5.853 11.318 6.948 1.00 0.38 H new ATOM 0 HB VAL A 75 -5.335 8.532 5.808 1.00 0.51 H new ATOM 0 HG11 VAL A 75 -6.969 9.255 4.099 1.00 1.20 H new ATOM 0 HG12 VAL A 75 -7.690 9.290 5.726 1.00 1.20 H new ATOM 0 HG13 VAL A 75 -7.174 10.806 4.948 1.00 1.20 H new ATOM 0 HG21 VAL A 75 -4.524 9.748 3.807 1.00 1.18 H new ATOM 0 HG22 VAL A 75 -4.735 11.296 4.661 1.00 1.18 H new ATOM 0 HG23 VAL A 75 -3.523 10.124 5.230 1.00 1.18 H new ATOM 1128 N SER A 76 -7.574 10.196 8.374 1.00 0.36 N ATOM 1129 CA SER A 76 -8.548 9.553 9.306 1.00 0.43 C ATOM 1130 C SER A 76 -9.668 8.888 8.501 1.00 0.39 C ATOM 1131 O SER A 76 -9.847 9.151 7.329 1.00 0.38 O ATOM 1132 CB SER A 76 -9.156 10.610 10.228 1.00 0.53 C ATOM 1133 OG SER A 76 -10.012 11.456 9.472 1.00 1.38 O ATOM 0 H SER A 76 -7.831 11.131 8.058 1.00 0.36 H new ATOM 0 HA SER A 76 -8.028 8.803 9.902 1.00 0.43 H new ATOM 0 HB2 SER A 76 -9.716 10.130 11.031 1.00 0.53 H new ATOM 0 HB3 SER A 76 -8.367 11.197 10.697 1.00 0.53 H new ATOM 0 HG SER A 76 -10.405 12.134 10.061 1.00 1.38 H new ATOM 1139 N ALA A 77 -10.424 8.030 9.128 1.00 0.42 N ATOM 1140 CA ALA A 77 -11.537 7.343 8.414 1.00 0.44 C ATOM 1141 C ALA A 77 -12.586 8.369 7.983 1.00 0.44 C ATOM 1142 O ALA A 77 -13.584 8.024 7.383 1.00 0.53 O ATOM 1143 CB ALA A 77 -12.172 6.313 9.346 1.00 0.51 C ATOM 0 H ALA A 77 -10.318 7.774 10.110 1.00 0.42 H new ATOM 0 HA ALA A 77 -11.148 6.841 7.528 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -12.987 5.807 8.828 1.00 0.51 H new ATOM 0 HB2 ALA A 77 -11.422 5.581 9.644 1.00 0.51 H new ATOM 0 HB3 ALA A 77 -12.561 6.815 10.232 1.00 0.51 H new ATOM 1149 N GLY A 78 -12.360 9.623 8.286 1.00 0.44 N ATOM 1150 CA GLY A 78 -13.330 10.693 7.899 1.00 0.49 C ATOM 1151 C GLY A 78 -12.708 11.579 6.817 1.00 0.47 C ATOM 1152 O GLY A 78 -13.398 12.135 5.985 1.00 0.51 O ATOM 0 H GLY A 78 -11.537 9.954 8.790 1.00 0.44 H new ATOM 0 HA2 GLY A 78 -14.253 10.246 7.531 1.00 0.49 H new ATOM 0 HA3 GLY A 78 -13.592 11.294 8.770 1.00 0.49 H new ATOM 1156 N GLN A 79 -11.410 11.721 6.825 1.00 0.45 N ATOM 1157 CA GLN A 79 -10.749 12.578 5.799 1.00 0.45 C ATOM 1158 C GLN A 79 -10.316 11.722 4.612 1.00 0.40 C ATOM 1159 O GLN A 79 -9.644 10.728 4.776 1.00 0.40 O ATOM 1160 CB GLN A 79 -9.513 13.237 6.399 1.00 0.50 C ATOM 1161 CG GLN A 79 -9.906 14.031 7.649 1.00 0.57 C ATOM 1162 CD GLN A 79 -9.366 15.463 7.564 1.00 1.52 C ATOM 1163 OE1 GLN A 79 -8.352 15.716 6.943 1.00 2.14 O ATOM 1164 NE2 GLN A 79 -10.006 16.420 8.177 1.00 2.15 N ATOM 0 H GLN A 79 -10.780 11.282 7.496 1.00 0.45 H new ATOM 0 HA GLN A 79 -11.455 13.340 5.470 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -8.773 12.479 6.656 1.00 0.50 H new ATOM 0 HB3 GLN A 79 -9.050 13.899 5.667 1.00 0.50 H new ATOM 0 HG2 GLN A 79 -10.991 14.050 7.749 1.00 0.57 H new ATOM 0 HG3 GLN A 79 -9.512 13.539 8.539 1.00 0.57 H new ATOM 0 HE21 GLN A 79 -10.857 16.212 8.699 1.00 2.15 H new ATOM 0 HE22 GLN A 79 -9.655 17.377 8.134 1.00 2.15 H new ATOM 1173 N PHE A 80 -10.706 12.102 3.425 1.00 0.37 N ATOM 1174 CA PHE A 80 -10.322 11.323 2.212 1.00 0.34 C ATOM 1175 C PHE A 80 -9.754 12.258 1.141 1.00 0.35 C ATOM 1176 O PHE A 80 -10.118 13.416 1.078 1.00 0.41 O ATOM 1177 CB PHE A 80 -11.550 10.614 1.682 1.00 0.36 C ATOM 1178 CG PHE A 80 -12.018 9.609 2.706 1.00 0.37 C ATOM 1179 CD1 PHE A 80 -11.262 8.457 2.948 1.00 0.38 C ATOM 1180 CD2 PHE A 80 -13.211 9.823 3.404 1.00 0.42 C ATOM 1181 CE1 PHE A 80 -11.700 7.515 3.885 1.00 0.42 C ATOM 1182 CE2 PHE A 80 -13.653 8.879 4.340 1.00 0.45 C ATOM 1183 CZ PHE A 80 -12.898 7.724 4.579 1.00 0.45 C ATOM 0 H PHE A 80 -11.279 12.926 3.242 1.00 0.37 H new ATOM 0 HA PHE A 80 -9.556 10.593 2.472 1.00 0.34 H new ATOM 0 HB2 PHE A 80 -12.340 11.335 1.474 1.00 0.36 H new ATOM 0 HB3 PHE A 80 -11.319 10.114 0.742 1.00 0.36 H new ATOM 0 HD1 PHE A 80 -10.339 8.295 2.411 1.00 0.38 H new ATOM 0 HD2 PHE A 80 -13.791 10.715 3.221 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -11.114 6.627 4.073 1.00 0.42 H new ATOM 0 HE2 PHE A 80 -14.576 9.042 4.877 1.00 0.45 H new ATOM 0 HZ PHE A 80 -13.240 6.995 5.298 1.00 0.45 H new ATOM 1193 N SER A 81 -8.859 11.761 0.309 1.00 0.34 N ATOM 1194 CA SER A 81 -8.255 12.611 -0.771 1.00 0.39 C ATOM 1195 C SER A 81 -8.487 12.001 -2.168 1.00 0.38 C ATOM 1196 O SER A 81 -8.888 12.686 -3.087 1.00 0.47 O ATOM 1197 CB SER A 81 -6.752 12.743 -0.527 1.00 0.45 C ATOM 1198 OG SER A 81 -6.534 13.209 0.798 1.00 0.53 O ATOM 0 H SER A 81 -8.522 10.799 0.334 1.00 0.34 H new ATOM 0 HA SER A 81 -8.736 13.589 -0.741 1.00 0.39 H new ATOM 0 HB2 SER A 81 -6.262 11.780 -0.672 1.00 0.45 H new ATOM 0 HB3 SER A 81 -6.314 13.436 -1.246 1.00 0.45 H new ATOM 0 HG SER A 81 -5.571 13.294 0.961 1.00 0.53 H new ATOM 1204 N SER A 82 -8.188 10.736 -2.351 1.00 0.34 N ATOM 1205 CA SER A 82 -8.338 10.113 -3.710 1.00 0.35 C ATOM 1206 C SER A 82 -9.684 9.396 -3.881 1.00 0.34 C ATOM 1207 O SER A 82 -9.986 8.895 -4.947 1.00 0.37 O ATOM 1208 CB SER A 82 -7.212 9.099 -3.919 1.00 0.38 C ATOM 1209 OG SER A 82 -7.116 8.782 -5.301 1.00 0.44 O ATOM 0 H SER A 82 -7.848 10.108 -1.622 1.00 0.34 H new ATOM 0 HA SER A 82 -8.292 10.915 -4.446 1.00 0.35 H new ATOM 0 HB2 SER A 82 -6.267 9.509 -3.562 1.00 0.38 H new ATOM 0 HB3 SER A 82 -7.408 8.197 -3.340 1.00 0.38 H new ATOM 0 HG SER A 82 -8.015 8.672 -5.675 1.00 0.44 H new ATOM 1215 N LEU A 83 -10.489 9.317 -2.865 1.00 0.33 N ATOM 1216 CA LEU A 83 -11.792 8.603 -3.017 1.00 0.35 C ATOM 1217 C LEU A 83 -12.864 9.549 -3.561 1.00 0.39 C ATOM 1218 O LEU A 83 -14.041 9.376 -3.313 1.00 0.42 O ATOM 1219 CB LEU A 83 -12.222 8.048 -1.663 1.00 0.37 C ATOM 1220 CG LEU A 83 -11.305 6.873 -1.274 1.00 0.54 C ATOM 1221 CD1 LEU A 83 -10.609 7.114 0.056 1.00 1.30 C ATOM 1222 CD2 LEU A 83 -12.157 5.631 -1.148 1.00 1.22 C ATOM 0 H LEU A 83 -10.309 9.710 -1.941 1.00 0.33 H new ATOM 0 HA LEU A 83 -11.669 7.784 -3.726 1.00 0.35 H new ATOM 0 HB2 LEU A 83 -12.171 8.830 -0.905 1.00 0.37 H new ATOM 0 HB3 LEU A 83 -13.259 7.715 -1.707 1.00 0.37 H new ATOM 0 HG LEU A 83 -10.541 6.764 -2.043 1.00 0.54 H new ATOM 0 HD11 LEU A 83 -9.972 6.262 0.293 1.00 1.30 H new ATOM 0 HD12 LEU A 83 -9.999 8.015 -0.010 1.00 1.30 H new ATOM 0 HD13 LEU A 83 -11.356 7.238 0.840 1.00 1.30 H new ATOM 0 HD21 LEU A 83 -11.528 4.785 -0.873 1.00 1.22 H new ATOM 0 HD22 LEU A 83 -12.914 5.786 -0.379 1.00 1.22 H new ATOM 0 HD23 LEU A 83 -12.644 5.426 -2.101 1.00 1.22 H new ATOM 1234 N HIS A 84 -12.471 10.539 -4.314 1.00 0.44 N ATOM 1235 CA HIS A 84 -13.474 11.482 -4.887 1.00 0.50 C ATOM 1236 C HIS A 84 -14.122 10.843 -6.120 1.00 0.45 C ATOM 1237 O HIS A 84 -15.286 11.049 -6.401 1.00 0.46 O ATOM 1238 CB HIS A 84 -12.775 12.780 -5.289 1.00 0.60 C ATOM 1239 CG HIS A 84 -11.980 13.281 -4.120 1.00 0.60 C ATOM 1240 ND1 HIS A 84 -12.089 12.707 -2.866 1.00 0.53 N ATOM 1241 CD2 HIS A 84 -11.061 14.292 -3.994 1.00 0.90 C ATOM 1242 CE1 HIS A 84 -11.258 13.367 -2.046 1.00 0.52 C ATOM 1243 NE2 HIS A 84 -10.605 14.345 -2.680 1.00 0.80 N ATOM 0 H HIS A 84 -11.500 10.736 -4.557 1.00 0.44 H new ATOM 0 HA HIS A 84 -14.242 11.699 -4.145 1.00 0.50 H new ATOM 0 HB2 HIS A 84 -12.122 12.608 -6.144 1.00 0.60 H new ATOM 0 HB3 HIS A 84 -13.509 13.526 -5.594 1.00 0.60 H new ATOM 0 HD2 HIS A 84 -10.741 14.946 -4.792 1.00 0.90 H new ATOM 0 HE1 HIS A 84 -11.132 13.136 -0.999 1.00 0.52 H new ATOM 0 HE2 HIS A 84 -9.921 14.991 -2.286 1.00 0.80 H new ATOM 1251 N VAL A 85 -13.371 10.068 -6.854 1.00 0.47 N ATOM 1252 CA VAL A 85 -13.926 9.406 -8.073 1.00 0.48 C ATOM 1253 C VAL A 85 -14.759 8.193 -7.656 1.00 0.39 C ATOM 1254 O VAL A 85 -14.532 7.596 -6.623 1.00 0.37 O ATOM 1255 CB VAL A 85 -12.772 8.946 -8.983 1.00 0.59 C ATOM 1256 CG1 VAL A 85 -12.584 9.899 -10.175 1.00 1.29 C ATOM 1257 CG2 VAL A 85 -11.474 8.904 -8.174 1.00 1.54 C ATOM 0 H VAL A 85 -12.391 9.863 -6.662 1.00 0.47 H new ATOM 0 HA VAL A 85 -14.554 10.113 -8.615 1.00 0.48 H new ATOM 0 HB VAL A 85 -13.018 7.956 -9.366 1.00 0.59 H new ATOM 0 HG11 VAL A 85 -11.762 9.546 -10.797 1.00 1.29 H new ATOM 0 HG12 VAL A 85 -13.500 9.928 -10.766 1.00 1.29 H new ATOM 0 HG13 VAL A 85 -12.357 10.900 -9.808 1.00 1.29 H new ATOM 0 HG21 VAL A 85 -10.655 8.579 -8.816 1.00 1.54 H new ATOM 0 HG22 VAL A 85 -11.256 9.898 -7.784 1.00 1.54 H new ATOM 0 HG23 VAL A 85 -11.585 8.205 -7.345 1.00 1.54 H new ATOM 1267 N ARG A 86 -15.732 7.832 -8.450 1.00 0.41 N ATOM 1268 CA ARG A 86 -16.588 6.667 -8.094 1.00 0.41 C ATOM 1269 C ARG A 86 -16.034 5.392 -8.735 1.00 0.41 C ATOM 1270 O ARG A 86 -16.653 4.800 -9.597 1.00 0.50 O ATOM 1271 CB ARG A 86 -18.009 6.905 -8.603 1.00 0.54 C ATOM 1272 CG ARG A 86 -18.617 8.111 -7.887 1.00 0.60 C ATOM 1273 CD ARG A 86 -20.118 8.162 -8.169 1.00 0.89 C ATOM 1274 NE ARG A 86 -20.611 9.558 -8.007 1.00 1.58 N ATOM 1275 CZ ARG A 86 -21.786 9.889 -8.467 1.00 2.14 C ATOM 1276 NH1 ARG A 86 -22.536 8.989 -9.042 1.00 2.34 N ATOM 1277 NH2 ARG A 86 -22.212 11.116 -8.349 1.00 3.16 N ATOM 0 H ARG A 86 -15.969 8.294 -9.328 1.00 0.41 H new ATOM 0 HA ARG A 86 -16.596 6.552 -7.010 1.00 0.41 H new ATOM 0 HB2 ARG A 86 -17.996 7.077 -9.679 1.00 0.54 H new ATOM 0 HB3 ARG A 86 -18.621 6.020 -8.429 1.00 0.54 H new ATOM 0 HG2 ARG A 86 -18.439 8.039 -6.814 1.00 0.60 H new ATOM 0 HG3 ARG A 86 -18.140 9.030 -8.228 1.00 0.60 H new ATOM 0 HD2 ARG A 86 -20.320 7.810 -9.180 1.00 0.89 H new ATOM 0 HD3 ARG A 86 -20.649 7.497 -7.488 1.00 0.89 H new ATOM 0 HE ARG A 86 -20.031 10.254 -7.537 1.00 1.58 H new ATOM 0 HH11 ARG A 86 -22.203 8.029 -9.131 1.00 2.34 H new ATOM 0 HH12 ARG A 86 -23.455 9.246 -9.402 1.00 2.34 H new ATOM 0 HH21 ARG A 86 -21.626 11.818 -7.897 1.00 3.16 H new ATOM 0 HH22 ARG A 86 -23.131 11.374 -8.709 1.00 3.16 H new ATOM 1291 N ASP A 87 -14.882 4.955 -8.311 1.00 0.36 N ATOM 1292 CA ASP A 87 -14.301 3.709 -8.883 1.00 0.40 C ATOM 1293 C ASP A 87 -14.922 2.502 -8.178 1.00 0.34 C ATOM 1294 O ASP A 87 -15.625 2.639 -7.197 1.00 0.31 O ATOM 1295 CB ASP A 87 -12.786 3.694 -8.668 1.00 0.43 C ATOM 1296 CG ASP A 87 -12.112 4.643 -9.661 1.00 0.56 C ATOM 1297 OD1 ASP A 87 -12.000 5.816 -9.347 1.00 1.34 O ATOM 1298 OD2 ASP A 87 -11.721 4.180 -10.720 1.00 1.13 O ATOM 0 H ASP A 87 -14.317 5.407 -7.592 1.00 0.36 H new ATOM 0 HA ASP A 87 -14.511 3.668 -9.952 1.00 0.40 H new ATOM 0 HB2 ASP A 87 -12.551 3.995 -7.647 1.00 0.43 H new ATOM 0 HB3 ASP A 87 -12.401 2.683 -8.799 1.00 0.43 H new ATOM 1303 N THR A 88 -14.666 1.321 -8.666 1.00 0.40 N ATOM 1304 CA THR A 88 -15.237 0.105 -8.019 1.00 0.41 C ATOM 1305 C THR A 88 -14.235 -0.434 -7.001 1.00 0.33 C ATOM 1306 O THR A 88 -13.046 -0.206 -7.101 1.00 0.32 O ATOM 1307 CB THR A 88 -15.492 -0.976 -9.083 1.00 0.54 C ATOM 1308 OG1 THR A 88 -14.542 -0.827 -10.128 1.00 1.16 O ATOM 1309 CG2 THR A 88 -16.911 -0.879 -9.672 1.00 1.28 C ATOM 0 H THR A 88 -14.086 1.144 -9.486 1.00 0.40 H new ATOM 0 HA THR A 88 -16.175 0.363 -7.526 1.00 0.41 H new ATOM 0 HB THR A 88 -15.395 -1.951 -8.605 1.00 0.54 H new ATOM 0 HG1 THR A 88 -14.696 -1.513 -10.810 1.00 1.16 H new ATOM 0 HG21 THR A 88 -17.049 -1.660 -10.419 1.00 1.28 H new ATOM 0 HG22 THR A 88 -17.645 -1.005 -8.876 1.00 1.28 H new ATOM 0 HG23 THR A 88 -17.045 0.097 -10.139 1.00 1.28 H new ATOM 1317 N LYS A 89 -14.710 -1.141 -6.016 1.00 0.30 N ATOM 1318 CA LYS A 89 -13.788 -1.688 -4.985 1.00 0.24 C ATOM 1319 C LYS A 89 -13.180 -3.003 -5.485 1.00 0.24 C ATOM 1320 O LYS A 89 -13.777 -3.709 -6.274 1.00 0.28 O ATOM 1321 CB LYS A 89 -14.560 -1.961 -3.697 1.00 0.28 C ATOM 1322 CG LYS A 89 -15.190 -0.677 -3.170 1.00 0.33 C ATOM 1323 CD LYS A 89 -15.953 -0.995 -1.880 1.00 0.41 C ATOM 1324 CE LYS A 89 -16.589 0.282 -1.342 1.00 0.75 C ATOM 1325 NZ LYS A 89 -17.723 -0.054 -0.438 1.00 1.49 N ATOM 0 H LYS A 89 -15.696 -1.364 -5.880 1.00 0.30 H new ATOM 0 HA LYS A 89 -12.997 -0.962 -4.795 1.00 0.24 H new ATOM 0 HB2 LYS A 89 -15.335 -2.704 -3.881 1.00 0.28 H new ATOM 0 HB3 LYS A 89 -13.890 -2.379 -2.946 1.00 0.28 H new ATOM 0 HG2 LYS A 89 -14.420 0.070 -2.979 1.00 0.33 H new ATOM 0 HG3 LYS A 89 -15.866 -0.255 -3.914 1.00 0.33 H new ATOM 0 HD2 LYS A 89 -16.721 -1.744 -2.074 1.00 0.41 H new ATOM 0 HD3 LYS A 89 -15.276 -1.418 -1.138 1.00 0.41 H new ATOM 0 HE2 LYS A 89 -15.845 0.869 -0.803 1.00 0.75 H new ATOM 0 HE3 LYS A 89 -16.943 0.898 -2.169 1.00 0.75 H new ATOM 0 HZ1 LYS A 89 -18.150 0.823 -0.076 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -18.438 -0.596 -0.964 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -17.374 -0.624 0.359 1.00 1.49 H new ATOM 1339 N ILE A 90 -11.994 -3.327 -5.025 1.00 0.20 N ATOM 1340 CA ILE A 90 -11.318 -4.591 -5.454 1.00 0.21 C ATOM 1341 C ILE A 90 -10.833 -5.357 -4.216 1.00 0.19 C ATOM 1342 O ILE A 90 -10.688 -4.797 -3.148 1.00 0.18 O ATOM 1343 CB ILE A 90 -10.132 -4.243 -6.369 1.00 0.22 C ATOM 1344 CG1 ILE A 90 -9.159 -3.306 -5.631 1.00 0.20 C ATOM 1345 CG2 ILE A 90 -10.663 -3.550 -7.629 1.00 0.27 C ATOM 1346 CD1 ILE A 90 -7.916 -3.041 -6.489 1.00 0.23 C ATOM 0 H ILE A 90 -11.461 -2.762 -4.363 1.00 0.20 H new ATOM 0 HA ILE A 90 -12.018 -5.221 -6.003 1.00 0.21 H new ATOM 0 HB ILE A 90 -9.602 -5.155 -6.645 1.00 0.22 H new ATOM 0 HG12 ILE A 90 -9.656 -2.364 -5.400 1.00 0.20 H new ATOM 0 HG13 ILE A 90 -8.864 -3.752 -4.681 1.00 0.20 H new ATOM 0 HG21 ILE A 90 -9.829 -3.299 -8.285 1.00 0.27 H new ATOM 0 HG22 ILE A 90 -11.347 -4.219 -8.151 1.00 0.27 H new ATOM 0 HG23 ILE A 90 -11.191 -2.639 -7.348 1.00 0.27 H new ATOM 0 HD11 ILE A 90 -7.238 -2.377 -5.953 1.00 0.23 H new ATOM 0 HD12 ILE A 90 -7.410 -3.984 -6.698 1.00 0.23 H new ATOM 0 HD13 ILE A 90 -8.215 -2.574 -7.427 1.00 0.23 H new ATOM 1358 N GLU A 91 -10.588 -6.632 -4.350 1.00 0.21 N ATOM 1359 CA GLU A 91 -10.120 -7.431 -3.179 1.00 0.21 C ATOM 1360 C GLU A 91 -8.745 -6.927 -2.733 1.00 0.19 C ATOM 1361 O GLU A 91 -7.924 -6.549 -3.545 1.00 0.18 O ATOM 1362 CB GLU A 91 -10.026 -8.907 -3.576 1.00 0.24 C ATOM 1363 CG GLU A 91 -11.429 -9.439 -3.876 1.00 0.28 C ATOM 1364 CD GLU A 91 -11.369 -10.951 -4.102 1.00 1.14 C ATOM 1365 OE1 GLU A 91 -10.529 -11.383 -4.874 1.00 1.88 O ATOM 1366 OE2 GLU A 91 -12.164 -11.651 -3.497 1.00 1.86 O ATOM 0 H GLU A 91 -10.691 -7.156 -5.219 1.00 0.21 H new ATOM 0 HA GLU A 91 -10.827 -7.322 -2.356 1.00 0.21 H new ATOM 0 HB2 GLU A 91 -9.387 -9.020 -4.451 1.00 0.24 H new ATOM 0 HB3 GLU A 91 -9.570 -9.484 -2.771 1.00 0.24 H new ATOM 0 HG2 GLU A 91 -12.100 -9.212 -3.047 1.00 0.28 H new ATOM 0 HG3 GLU A 91 -11.835 -8.945 -4.759 1.00 0.28 H new ATOM 1373 N VAL A 92 -8.485 -6.906 -1.450 1.00 0.19 N ATOM 1374 CA VAL A 92 -7.160 -6.406 -0.982 1.00 0.19 C ATOM 1375 C VAL A 92 -6.049 -7.219 -1.651 1.00 0.20 C ATOM 1376 O VAL A 92 -5.043 -6.682 -2.073 1.00 0.19 O ATOM 1377 CB VAL A 92 -7.037 -6.557 0.540 1.00 0.22 C ATOM 1378 CG1 VAL A 92 -5.583 -6.248 0.948 1.00 0.24 C ATOM 1379 CG2 VAL A 92 -8.030 -5.600 1.231 1.00 0.24 C ATOM 0 H VAL A 92 -9.125 -7.210 -0.716 1.00 0.19 H new ATOM 0 HA VAL A 92 -7.070 -5.352 -1.245 1.00 0.19 H new ATOM 0 HB VAL A 92 -7.280 -7.574 0.849 1.00 0.22 H new ATOM 0 HG11 VAL A 92 -5.478 -6.351 2.028 1.00 0.24 H new ATOM 0 HG12 VAL A 92 -4.909 -6.945 0.450 1.00 0.24 H new ATOM 0 HG13 VAL A 92 -5.332 -5.229 0.655 1.00 0.24 H new ATOM 0 HG21 VAL A 92 -7.944 -5.706 2.312 1.00 0.24 H new ATOM 0 HG22 VAL A 92 -7.802 -4.572 0.948 1.00 0.24 H new ATOM 0 HG23 VAL A 92 -9.046 -5.845 0.922 1.00 0.24 H new ATOM 1389 N ALA A 93 -6.220 -8.507 -1.753 1.00 0.22 N ATOM 1390 CA ALA A 93 -5.170 -9.346 -2.395 1.00 0.25 C ATOM 1391 C ALA A 93 -4.757 -8.720 -3.732 1.00 0.22 C ATOM 1392 O ALA A 93 -3.592 -8.673 -4.067 1.00 0.24 O ATOM 1393 CB ALA A 93 -5.721 -10.754 -2.632 1.00 0.31 C ATOM 0 H ALA A 93 -7.040 -9.015 -1.420 1.00 0.22 H new ATOM 0 HA ALA A 93 -4.299 -9.403 -1.742 1.00 0.25 H new ATOM 0 HB1 ALA A 93 -4.955 -11.370 -3.102 1.00 0.31 H new ATOM 0 HB2 ALA A 93 -6.009 -11.197 -1.679 1.00 0.31 H new ATOM 0 HB3 ALA A 93 -6.592 -10.699 -3.284 1.00 0.31 H new ATOM 1399 N GLN A 94 -5.697 -8.229 -4.495 1.00 0.21 N ATOM 1400 CA GLN A 94 -5.341 -7.599 -5.802 1.00 0.22 C ATOM 1401 C GLN A 94 -4.722 -6.227 -5.562 1.00 0.19 C ATOM 1402 O GLN A 94 -3.815 -5.811 -6.255 1.00 0.19 O ATOM 1403 CB GLN A 94 -6.592 -7.433 -6.666 1.00 0.28 C ATOM 1404 CG GLN A 94 -6.872 -8.734 -7.413 1.00 1.00 C ATOM 1405 CD GLN A 94 -8.121 -8.569 -8.279 1.00 1.32 C ATOM 1406 OE1 GLN A 94 -9.017 -7.823 -7.939 1.00 1.59 O ATOM 1407 NE2 GLN A 94 -8.214 -9.236 -9.396 1.00 2.05 N ATOM 0 H GLN A 94 -6.692 -8.236 -4.272 1.00 0.21 H new ATOM 0 HA GLN A 94 -4.627 -8.243 -6.315 1.00 0.22 H new ATOM 0 HB2 GLN A 94 -7.446 -7.169 -6.042 1.00 0.28 H new ATOM 0 HB3 GLN A 94 -6.451 -6.617 -7.375 1.00 0.28 H new ATOM 0 HG2 GLN A 94 -6.018 -8.999 -8.036 1.00 1.00 H new ATOM 0 HG3 GLN A 94 -7.014 -9.549 -6.704 1.00 1.00 H new ATOM 0 HE21 GLN A 94 -7.461 -9.862 -9.680 1.00 2.05 H new ATOM 0 HE22 GLN A 94 -9.040 -9.131 -9.985 1.00 2.05 H new ATOM 1416 N PHE A 95 -5.210 -5.522 -4.590 1.00 0.17 N ATOM 1417 CA PHE A 95 -4.662 -4.175 -4.302 1.00 0.17 C ATOM 1418 C PHE A 95 -3.177 -4.285 -3.965 1.00 0.16 C ATOM 1419 O PHE A 95 -2.357 -3.547 -4.473 1.00 0.17 O ATOM 1420 CB PHE A 95 -5.401 -3.596 -3.105 1.00 0.18 C ATOM 1421 CG PHE A 95 -4.834 -2.247 -2.780 1.00 0.19 C ATOM 1422 CD1 PHE A 95 -3.687 -2.155 -1.986 1.00 0.22 C ATOM 1423 CD2 PHE A 95 -5.443 -1.091 -3.273 1.00 0.21 C ATOM 1424 CE1 PHE A 95 -3.149 -0.906 -1.683 1.00 0.25 C ATOM 1425 CE2 PHE A 95 -4.904 0.159 -2.970 1.00 0.23 C ATOM 1426 CZ PHE A 95 -3.759 0.249 -2.176 1.00 0.25 C ATOM 0 H PHE A 95 -5.969 -5.821 -3.978 1.00 0.17 H new ATOM 0 HA PHE A 95 -4.788 -3.532 -5.173 1.00 0.17 H new ATOM 0 HB2 PHE A 95 -6.465 -3.513 -3.325 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -5.304 -4.261 -2.247 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -3.218 -3.051 -1.608 1.00 0.22 H new ATOM 0 HD2 PHE A 95 -6.328 -1.165 -3.887 1.00 0.21 H new ATOM 0 HE1 PHE A 95 -2.264 -0.832 -1.069 1.00 0.25 H new ATOM 0 HE2 PHE A 95 -5.371 1.056 -3.349 1.00 0.23 H new ATOM 0 HZ PHE A 95 -3.343 1.218 -1.942 1.00 0.25 H new ATOM 1436 N VAL A 96 -2.825 -5.199 -3.107 1.00 0.17 N ATOM 1437 CA VAL A 96 -1.394 -5.355 -2.733 1.00 0.18 C ATOM 1438 C VAL A 96 -0.585 -5.745 -3.970 1.00 0.17 C ATOM 1439 O VAL A 96 0.445 -5.169 -4.260 1.00 0.18 O ATOM 1440 CB VAL A 96 -1.258 -6.457 -1.683 1.00 0.21 C ATOM 1441 CG1 VAL A 96 0.215 -6.625 -1.309 1.00 0.25 C ATOM 1442 CG2 VAL A 96 -2.063 -6.084 -0.438 1.00 0.24 C ATOM 0 H VAL A 96 -3.467 -5.845 -2.648 1.00 0.17 H new ATOM 0 HA VAL A 96 -1.022 -4.413 -2.329 1.00 0.18 H new ATOM 0 HB VAL A 96 -1.639 -7.394 -2.090 1.00 0.21 H new ATOM 0 HG11 VAL A 96 0.313 -7.411 -0.560 1.00 0.25 H new ATOM 0 HG12 VAL A 96 0.787 -6.896 -2.196 1.00 0.25 H new ATOM 0 HG13 VAL A 96 0.597 -5.688 -0.904 1.00 0.25 H new ATOM 0 HG21 VAL A 96 -1.964 -6.872 0.309 1.00 0.24 H new ATOM 0 HG22 VAL A 96 -1.687 -5.147 -0.029 1.00 0.24 H new ATOM 0 HG23 VAL A 96 -3.113 -5.967 -0.705 1.00 0.24 H new ATOM 1452 N LYS A 97 -1.040 -6.729 -4.694 1.00 0.17 N ATOM 1453 CA LYS A 97 -0.295 -7.170 -5.903 1.00 0.19 C ATOM 1454 C LYS A 97 -0.184 -6.015 -6.896 1.00 0.18 C ATOM 1455 O LYS A 97 0.878 -5.721 -7.383 1.00 0.19 O ATOM 1456 CB LYS A 97 -1.038 -8.334 -6.559 1.00 0.21 C ATOM 1457 CG LYS A 97 -0.975 -9.552 -5.638 1.00 0.25 C ATOM 1458 CD LYS A 97 -1.743 -10.714 -6.274 1.00 0.31 C ATOM 1459 CE LYS A 97 -1.866 -11.871 -5.274 1.00 0.68 C ATOM 1460 NZ LYS A 97 -1.221 -13.089 -5.837 1.00 1.52 N ATOM 0 H LYS A 97 -1.897 -7.247 -4.499 1.00 0.17 H new ATOM 0 HA LYS A 97 0.706 -7.489 -5.612 1.00 0.19 H new ATOM 0 HB2 LYS A 97 -2.076 -8.059 -6.748 1.00 0.21 H new ATOM 0 HB3 LYS A 97 -0.590 -8.569 -7.524 1.00 0.21 H new ATOM 0 HG2 LYS A 97 0.063 -9.838 -5.467 1.00 0.25 H new ATOM 0 HG3 LYS A 97 -1.403 -9.308 -4.666 1.00 0.25 H new ATOM 0 HD2 LYS A 97 -2.734 -10.381 -6.581 1.00 0.31 H new ATOM 0 HD3 LYS A 97 -1.228 -11.053 -7.173 1.00 0.31 H new ATOM 0 HE2 LYS A 97 -1.393 -11.601 -4.330 1.00 0.68 H new ATOM 0 HE3 LYS A 97 -2.916 -12.069 -5.060 1.00 0.68 H new ATOM 0 HZ1 LYS A 97 -1.305 -13.872 -5.158 1.00 1.52 H new ATOM 0 HZ2 LYS A 97 -1.691 -13.351 -6.727 1.00 1.52 H new ATOM 0 HZ3 LYS A 97 -0.216 -12.896 -6.020 1.00 1.52 H new ATOM 1474 N ASP A 98 -1.264 -5.349 -7.198 1.00 0.18 N ATOM 1475 CA ASP A 98 -1.177 -4.225 -8.176 1.00 0.20 C ATOM 1476 C ASP A 98 -0.177 -3.196 -7.664 1.00 0.19 C ATOM 1477 O ASP A 98 0.616 -2.658 -8.412 1.00 0.21 O ATOM 1478 CB ASP A 98 -2.549 -3.563 -8.316 1.00 0.21 C ATOM 1479 CG ASP A 98 -3.508 -4.507 -9.041 1.00 0.24 C ATOM 1480 OD1 ASP A 98 -3.029 -5.359 -9.772 1.00 1.02 O ATOM 1481 OD2 ASP A 98 -4.705 -4.359 -8.858 1.00 1.07 O ATOM 0 H ASP A 98 -2.192 -5.530 -6.816 1.00 0.18 H new ATOM 0 HA ASP A 98 -0.855 -4.607 -9.145 1.00 0.20 H new ATOM 0 HB2 ASP A 98 -2.945 -3.314 -7.331 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.457 -2.628 -8.869 1.00 0.21 H new ATOM 1486 N LEU A 99 -0.196 -2.930 -6.394 1.00 0.19 N ATOM 1487 CA LEU A 99 0.764 -1.950 -5.828 1.00 0.20 C ATOM 1488 C LEU A 99 2.194 -2.510 -5.966 1.00 0.19 C ATOM 1489 O LEU A 99 3.118 -1.790 -6.277 1.00 0.20 O ATOM 1490 CB LEU A 99 0.388 -1.682 -4.353 1.00 0.23 C ATOM 1491 CG LEU A 99 1.364 -0.699 -3.668 1.00 0.25 C ATOM 1492 CD1 LEU A 99 1.221 0.733 -4.220 1.00 0.29 C ATOM 1493 CD2 LEU A 99 1.083 -0.682 -2.156 1.00 0.30 C ATOM 0 H LEU A 99 -0.837 -3.350 -5.720 1.00 0.19 H new ATOM 0 HA LEU A 99 0.723 -1.003 -6.366 1.00 0.20 H new ATOM 0 HB2 LEU A 99 -0.623 -1.278 -4.306 1.00 0.23 H new ATOM 0 HB3 LEU A 99 0.381 -2.624 -3.805 1.00 0.23 H new ATOM 0 HG LEU A 99 2.379 -1.039 -3.871 1.00 0.25 H new ATOM 0 HD11 LEU A 99 1.925 1.391 -3.711 1.00 0.29 H new ATOM 0 HD12 LEU A 99 1.432 0.733 -5.289 1.00 0.29 H new ATOM 0 HD13 LEU A 99 0.205 1.089 -4.050 1.00 0.29 H new ATOM 0 HD21 LEU A 99 1.768 0.010 -1.666 1.00 0.30 H new ATOM 0 HD22 LEU A 99 0.056 -0.361 -1.980 1.00 0.30 H new ATOM 0 HD23 LEU A 99 1.225 -1.683 -1.748 1.00 0.30 H new ATOM 1505 N LEU A 100 2.379 -3.790 -5.742 1.00 0.19 N ATOM 1506 CA LEU A 100 3.751 -4.393 -5.853 1.00 0.20 C ATOM 1507 C LEU A 100 4.384 -4.056 -7.209 1.00 0.20 C ATOM 1508 O LEU A 100 5.546 -3.699 -7.278 1.00 0.21 O ATOM 1509 CB LEU A 100 3.647 -5.922 -5.698 1.00 0.22 C ATOM 1510 CG LEU A 100 5.010 -6.597 -5.932 1.00 0.25 C ATOM 1511 CD1 LEU A 100 6.049 -6.024 -4.962 1.00 0.30 C ATOM 1512 CD2 LEU A 100 4.860 -8.103 -5.694 1.00 0.27 C ATOM 0 H LEU A 100 1.640 -4.445 -5.487 1.00 0.19 H new ATOM 0 HA LEU A 100 4.381 -3.980 -5.065 1.00 0.20 H new ATOM 0 HB2 LEU A 100 3.284 -6.165 -4.700 1.00 0.22 H new ATOM 0 HB3 LEU A 100 2.917 -6.314 -6.407 1.00 0.22 H new ATOM 0 HG LEU A 100 5.342 -6.412 -6.954 1.00 0.25 H new ATOM 0 HD11 LEU A 100 7.011 -6.506 -5.133 1.00 0.30 H new ATOM 0 HD12 LEU A 100 6.147 -4.951 -5.126 1.00 0.30 H new ATOM 0 HD13 LEU A 100 5.729 -6.207 -3.936 1.00 0.30 H new ATOM 0 HD21 LEU A 100 5.819 -8.594 -5.857 1.00 0.27 H new ATOM 0 HD22 LEU A 100 4.531 -8.279 -4.670 1.00 0.27 H new ATOM 0 HD23 LEU A 100 4.122 -8.509 -6.386 1.00 0.27 H new ATOM 1524 N LEU A 101 3.656 -4.168 -8.288 1.00 0.21 N ATOM 1525 CA LEU A 101 4.275 -3.851 -9.611 1.00 0.23 C ATOM 1526 C LEU A 101 4.792 -2.412 -9.618 1.00 0.22 C ATOM 1527 O LEU A 101 5.886 -2.147 -10.071 1.00 0.23 O ATOM 1528 CB LEU A 101 3.249 -4.015 -10.741 1.00 0.26 C ATOM 1529 CG LEU A 101 3.121 -5.488 -11.165 1.00 0.30 C ATOM 1530 CD1 LEU A 101 4.423 -5.972 -11.852 1.00 0.43 C ATOM 1531 CD2 LEU A 101 2.768 -6.348 -9.942 1.00 0.47 C ATOM 0 H LEU A 101 2.679 -4.459 -8.314 1.00 0.21 H new ATOM 0 HA LEU A 101 5.102 -4.542 -9.772 1.00 0.23 H new ATOM 0 HB2 LEU A 101 2.279 -3.643 -10.412 1.00 0.26 H new ATOM 0 HB3 LEU A 101 3.548 -3.412 -11.598 1.00 0.26 H new ATOM 0 HG LEU A 101 2.317 -5.587 -11.894 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.313 -7.016 -12.145 1.00 0.43 H new ATOM 0 HD12 LEU A 101 4.615 -5.365 -12.737 1.00 0.43 H new ATOM 0 HD13 LEU A 101 5.258 -5.876 -11.158 1.00 0.43 H new ATOM 0 HD21 LEU A 101 2.678 -7.391 -10.245 1.00 0.47 H new ATOM 0 HD22 LEU A 101 3.554 -6.254 -9.192 1.00 0.47 H new ATOM 0 HD23 LEU A 101 1.822 -6.009 -9.520 1.00 0.47 H new ATOM 1543 N HIS A 102 4.026 -1.481 -9.130 1.00 0.22 N ATOM 1544 CA HIS A 102 4.497 -0.068 -9.129 1.00 0.22 C ATOM 1545 C HIS A 102 5.644 0.127 -8.132 1.00 0.21 C ATOM 1546 O HIS A 102 6.537 0.907 -8.362 1.00 0.22 O ATOM 1547 CB HIS A 102 3.341 0.868 -8.777 1.00 0.23 C ATOM 1548 CG HIS A 102 2.487 1.068 -9.996 1.00 0.25 C ATOM 1549 ND1 HIS A 102 2.719 2.088 -10.906 1.00 0.26 N ATOM 1550 CD2 HIS A 102 1.406 0.379 -10.473 1.00 0.28 C ATOM 1551 CE1 HIS A 102 1.795 1.982 -11.877 1.00 0.29 C ATOM 1552 NE2 HIS A 102 0.968 0.955 -11.663 1.00 0.30 N ATOM 0 H HIS A 102 3.099 -1.634 -8.733 1.00 0.22 H new ATOM 0 HA HIS A 102 4.864 0.169 -10.127 1.00 0.22 H new ATOM 0 HB2 HIS A 102 2.747 0.445 -7.966 1.00 0.23 H new ATOM 0 HB3 HIS A 102 3.725 1.825 -8.425 1.00 0.23 H new ATOM 0 HD2 HIS A 102 0.959 -0.482 -9.998 1.00 0.28 H new ATOM 0 HE1 HIS A 102 1.729 2.646 -12.726 1.00 0.29 H new ATOM 0 HE2 HIS A 102 0.185 0.657 -12.245 1.00 0.30 H new ATOM 1560 N LEU A 103 5.631 -0.542 -7.015 1.00 0.21 N ATOM 1561 CA LEU A 103 6.738 -0.322 -6.032 1.00 0.22 C ATOM 1562 C LEU A 103 8.097 -0.634 -6.668 1.00 0.23 C ATOM 1563 O LEU A 103 8.979 0.201 -6.690 1.00 0.25 O ATOM 1564 CB LEU A 103 6.549 -1.233 -4.815 1.00 0.22 C ATOM 1565 CG LEU A 103 5.326 -0.799 -4.008 1.00 0.23 C ATOM 1566 CD1 LEU A 103 5.111 -1.782 -2.856 1.00 0.24 C ATOM 1567 CD2 LEU A 103 5.507 0.610 -3.431 1.00 0.24 C ATOM 0 H LEU A 103 4.920 -1.219 -6.739 1.00 0.21 H new ATOM 0 HA LEU A 103 6.712 0.724 -5.725 1.00 0.22 H new ATOM 0 HB2 LEU A 103 6.429 -2.266 -5.141 1.00 0.22 H new ATOM 0 HB3 LEU A 103 7.438 -1.199 -4.186 1.00 0.22 H new ATOM 0 HG LEU A 103 4.464 -0.790 -4.675 1.00 0.23 H new ATOM 0 HD11 LEU A 103 4.240 -1.478 -2.276 1.00 0.24 H new ATOM 0 HD12 LEU A 103 4.949 -2.783 -3.257 1.00 0.24 H new ATOM 0 HD13 LEU A 103 5.991 -1.787 -2.213 1.00 0.24 H new ATOM 0 HD21 LEU A 103 4.619 0.887 -2.863 1.00 0.24 H new ATOM 0 HD22 LEU A 103 6.377 0.625 -2.775 1.00 0.24 H new ATOM 0 HD23 LEU A 103 5.654 1.320 -4.245 1.00 0.24 H new ATOM 1579 N LYS A 104 8.287 -1.819 -7.181 1.00 0.23 N ATOM 1580 CA LYS A 104 9.609 -2.141 -7.796 1.00 0.26 C ATOM 1581 C LYS A 104 9.816 -1.297 -9.057 1.00 0.24 C ATOM 1582 O LYS A 104 10.925 -1.116 -9.520 1.00 0.25 O ATOM 1583 CB LYS A 104 9.693 -3.639 -8.133 1.00 0.32 C ATOM 1584 CG LYS A 104 8.584 -4.045 -9.112 1.00 0.34 C ATOM 1585 CD LYS A 104 8.824 -5.488 -9.567 1.00 0.46 C ATOM 1586 CE LYS A 104 7.516 -6.088 -10.086 1.00 1.06 C ATOM 1587 NZ LYS A 104 7.802 -7.362 -10.804 1.00 1.73 N ATOM 0 H LYS A 104 7.596 -2.569 -7.202 1.00 0.23 H new ATOM 0 HA LYS A 104 10.397 -1.906 -7.081 1.00 0.26 H new ATOM 0 HB2 LYS A 104 10.667 -3.864 -8.568 1.00 0.32 H new ATOM 0 HB3 LYS A 104 9.609 -4.226 -7.219 1.00 0.32 H new ATOM 0 HG2 LYS A 104 7.609 -3.959 -8.633 1.00 0.34 H new ATOM 0 HG3 LYS A 104 8.577 -3.375 -9.972 1.00 0.34 H new ATOM 0 HD2 LYS A 104 9.582 -5.512 -10.350 1.00 0.46 H new ATOM 0 HD3 LYS A 104 9.204 -6.083 -8.737 1.00 0.46 H new ATOM 0 HE2 LYS A 104 6.834 -6.272 -9.256 1.00 1.06 H new ATOM 0 HE3 LYS A 104 7.022 -5.384 -10.756 1.00 1.06 H new ATOM 0 HZ1 LYS A 104 6.912 -7.769 -11.156 1.00 1.73 H new ATOM 0 HZ2 LYS A 104 8.438 -7.174 -11.605 1.00 1.73 H new ATOM 0 HZ3 LYS A 104 8.256 -8.034 -10.152 1.00 1.73 H new ATOM 1601 N LYS A 105 8.755 -0.794 -9.624 1.00 0.24 N ATOM 1602 CA LYS A 105 8.881 0.025 -10.865 1.00 0.25 C ATOM 1603 C LYS A 105 9.713 1.289 -10.600 1.00 0.24 C ATOM 1604 O LYS A 105 10.631 1.598 -11.333 1.00 0.25 O ATOM 1605 CB LYS A 105 7.482 0.422 -11.338 1.00 0.28 C ATOM 1606 CG LYS A 105 7.560 1.068 -12.720 1.00 0.40 C ATOM 1607 CD LYS A 105 6.149 1.451 -13.171 1.00 0.43 C ATOM 1608 CE LYS A 105 6.220 2.235 -14.482 1.00 1.13 C ATOM 1609 NZ LYS A 105 6.526 1.305 -15.605 1.00 1.85 N ATOM 0 H LYS A 105 7.802 -0.915 -9.281 1.00 0.24 H new ATOM 0 HA LYS A 105 9.386 -0.563 -11.631 1.00 0.25 H new ATOM 0 HB2 LYS A 105 6.839 -0.457 -11.375 1.00 0.28 H new ATOM 0 HB3 LYS A 105 7.033 1.116 -10.628 1.00 0.28 H new ATOM 0 HG2 LYS A 105 8.198 1.951 -12.687 1.00 0.40 H new ATOM 0 HG3 LYS A 105 8.009 0.377 -13.434 1.00 0.40 H new ATOM 0 HD2 LYS A 105 5.544 0.554 -13.305 1.00 0.43 H new ATOM 0 HD3 LYS A 105 5.662 2.052 -12.403 1.00 0.43 H new ATOM 0 HE2 LYS A 105 5.273 2.743 -14.665 1.00 1.13 H new ATOM 0 HE3 LYS A 105 6.988 3.006 -14.415 1.00 1.13 H new ATOM 0 HZ1 LYS A 105 6.507 1.828 -16.504 1.00 1.85 H new ATOM 0 HZ2 LYS A 105 7.470 0.891 -15.465 1.00 1.85 H new ATOM 0 HZ3 LYS A 105 5.815 0.546 -15.631 1.00 1.85 H new ATOM 1623 N LEU A 106 9.397 2.027 -9.568 1.00 0.24 N ATOM 1624 CA LEU A 106 10.169 3.274 -9.273 1.00 0.25 C ATOM 1625 C LEU A 106 11.621 2.922 -8.932 1.00 0.24 C ATOM 1626 O LEU A 106 12.514 3.730 -9.094 1.00 0.27 O ATOM 1627 CB LEU A 106 9.544 4.021 -8.083 1.00 0.27 C ATOM 1628 CG LEU A 106 8.292 4.822 -8.505 1.00 0.29 C ATOM 1629 CD1 LEU A 106 8.691 6.123 -9.210 1.00 0.34 C ATOM 1630 CD2 LEU A 106 7.404 3.994 -9.441 1.00 0.32 C ATOM 0 H LEU A 106 8.639 1.822 -8.917 1.00 0.24 H new ATOM 0 HA LEU A 106 10.141 3.912 -10.156 1.00 0.25 H new ATOM 0 HB2 LEU A 106 9.274 3.306 -7.306 1.00 0.27 H new ATOM 0 HB3 LEU A 106 10.281 4.698 -7.651 1.00 0.27 H new ATOM 0 HG LEU A 106 7.734 5.060 -7.599 1.00 0.29 H new ATOM 0 HD11 LEU A 106 7.794 6.671 -9.498 1.00 0.34 H new ATOM 0 HD12 LEU A 106 9.288 6.735 -8.534 1.00 0.34 H new ATOM 0 HD13 LEU A 106 9.275 5.890 -10.100 1.00 0.34 H new ATOM 0 HD21 LEU A 106 6.529 4.579 -9.724 1.00 0.32 H new ATOM 0 HD22 LEU A 106 7.967 3.727 -10.335 1.00 0.32 H new ATOM 0 HD23 LEU A 106 7.083 3.086 -8.930 1.00 0.32 H new ATOM 1642 N PHE A 107 11.869 1.732 -8.455 1.00 0.23 N ATOM 1643 CA PHE A 107 13.269 1.360 -8.101 1.00 0.24 C ATOM 1644 C PHE A 107 14.143 1.466 -9.348 1.00 0.27 C ATOM 1645 O PHE A 107 15.270 1.916 -9.294 1.00 0.30 O ATOM 1646 CB PHE A 107 13.313 -0.081 -7.581 1.00 0.23 C ATOM 1647 CG PHE A 107 14.737 -0.438 -7.228 1.00 0.25 C ATOM 1648 CD1 PHE A 107 15.308 0.083 -6.065 1.00 0.24 C ATOM 1649 CD2 PHE A 107 15.487 -1.278 -8.061 1.00 0.33 C ATOM 1650 CE1 PHE A 107 16.625 -0.229 -5.728 1.00 0.27 C ATOM 1651 CE2 PHE A 107 16.810 -1.596 -7.723 1.00 0.36 C ATOM 1652 CZ PHE A 107 17.379 -1.070 -6.555 1.00 0.32 C ATOM 0 H PHE A 107 11.169 1.007 -8.296 1.00 0.23 H new ATOM 0 HA PHE A 107 13.635 2.033 -7.326 1.00 0.24 H new ATOM 0 HB2 PHE A 107 12.672 -0.184 -6.706 1.00 0.23 H new ATOM 0 HB3 PHE A 107 12.931 -0.765 -8.338 1.00 0.23 H new ATOM 0 HD1 PHE A 107 14.728 0.730 -5.424 1.00 0.24 H new ATOM 0 HD2 PHE A 107 15.047 -1.680 -8.962 1.00 0.33 H new ATOM 0 HE1 PHE A 107 17.063 0.178 -4.829 1.00 0.27 H new ATOM 0 HE2 PHE A 107 17.390 -2.245 -8.362 1.00 0.36 H new ATOM 0 HZ PHE A 107 18.398 -1.313 -6.293 1.00 0.32 H new ATOM 1662 N ARG A 108 13.631 1.054 -10.470 1.00 0.30 N ATOM 1663 CA ARG A 108 14.428 1.128 -11.722 1.00 0.36 C ATOM 1664 C ARG A 108 14.804 2.583 -12.013 1.00 0.38 C ATOM 1665 O ARG A 108 15.894 2.870 -12.467 1.00 0.43 O ATOM 1666 CB ARG A 108 13.610 0.571 -12.887 1.00 0.42 C ATOM 1667 CG ARG A 108 13.242 -0.890 -12.605 1.00 0.49 C ATOM 1668 CD ARG A 108 13.342 -1.709 -13.894 1.00 0.83 C ATOM 1669 NE ARG A 108 12.523 -2.945 -13.763 1.00 1.48 N ATOM 1670 CZ ARG A 108 12.247 -3.653 -14.822 1.00 2.17 C ATOM 1671 NH1 ARG A 108 12.716 -3.291 -15.984 1.00 2.50 N ATOM 1672 NH2 ARG A 108 11.510 -4.725 -14.720 1.00 3.13 N ATOM 0 H ARG A 108 12.693 0.668 -10.575 1.00 0.30 H new ATOM 0 HA ARG A 108 15.337 0.538 -11.601 1.00 0.36 H new ATOM 0 HB2 ARG A 108 12.706 1.164 -13.026 1.00 0.42 H new ATOM 0 HB3 ARG A 108 14.182 0.640 -13.812 1.00 0.42 H new ATOM 0 HG2 ARG A 108 13.909 -1.303 -11.848 1.00 0.49 H new ATOM 0 HG3 ARG A 108 12.230 -0.949 -12.204 1.00 0.49 H new ATOM 0 HD2 ARG A 108 12.994 -1.118 -14.741 1.00 0.83 H new ATOM 0 HD3 ARG A 108 14.382 -1.969 -14.093 1.00 0.83 H new ATOM 0 HE ARG A 108 12.179 -3.237 -12.848 1.00 1.48 H new ATOM 0 HH11 ARG A 108 13.297 -2.456 -16.062 1.00 2.50 H new ATOM 0 HH12 ARG A 108 12.502 -3.843 -16.815 1.00 2.50 H new ATOM 0 HH21 ARG A 108 11.148 -5.011 -13.810 1.00 3.13 H new ATOM 0 HH22 ARG A 108 11.295 -5.277 -15.550 1.00 3.13 H new ATOM 1686 N GLU A 109 13.911 3.505 -11.774 1.00 0.36 N ATOM 1687 CA GLU A 109 14.232 4.932 -12.060 1.00 0.40 C ATOM 1688 C GLU A 109 14.955 5.556 -10.861 1.00 0.39 C ATOM 1689 O GLU A 109 15.375 6.695 -10.906 1.00 0.44 O ATOM 1690 CB GLU A 109 12.941 5.706 -12.340 1.00 0.43 C ATOM 1691 CG GLU A 109 12.220 5.080 -13.537 1.00 0.48 C ATOM 1692 CD GLU A 109 11.088 6.002 -13.995 1.00 1.19 C ATOM 1693 OE1 GLU A 109 10.059 6.018 -13.340 1.00 1.94 O ATOM 1694 OE2 GLU A 109 11.269 6.674 -14.997 1.00 1.91 O ATOM 0 H GLU A 109 12.979 3.333 -11.396 1.00 0.36 H new ATOM 0 HA GLU A 109 14.881 4.982 -12.935 1.00 0.40 H new ATOM 0 HB2 GLU A 109 12.295 5.687 -11.462 1.00 0.43 H new ATOM 0 HB3 GLU A 109 13.169 6.752 -12.545 1.00 0.43 H new ATOM 0 HG2 GLU A 109 12.923 4.918 -14.354 1.00 0.48 H new ATOM 0 HG3 GLU A 109 11.819 4.104 -13.263 1.00 0.48 H new ATOM 1701 N GLY A 110 15.108 4.824 -9.789 1.00 0.35 N ATOM 1702 CA GLY A 110 15.805 5.381 -8.601 1.00 0.36 C ATOM 1703 C GLY A 110 15.094 6.653 -8.143 1.00 0.38 C ATOM 1704 O GLY A 110 15.566 7.354 -7.270 1.00 0.42 O ATOM 0 H GLY A 110 14.779 3.864 -9.688 1.00 0.35 H new ATOM 0 HA2 GLY A 110 15.815 4.647 -7.795 1.00 0.36 H new ATOM 0 HA3 GLY A 110 16.844 5.601 -8.846 1.00 0.36 H new ATOM 1708 N ARG A 111 13.954 6.950 -8.714 1.00 0.37 N ATOM 1709 CA ARG A 111 13.214 8.172 -8.292 1.00 0.41 C ATOM 1710 C ARG A 111 12.217 7.785 -7.210 1.00 0.39 C ATOM 1711 O ARG A 111 11.109 7.365 -7.480 1.00 0.41 O ATOM 1712 CB ARG A 111 12.468 8.783 -9.482 1.00 0.45 C ATOM 1713 CG ARG A 111 13.471 9.298 -10.517 1.00 0.53 C ATOM 1714 CD ARG A 111 12.791 10.338 -11.406 1.00 0.59 C ATOM 1715 NE ARG A 111 13.688 10.669 -12.548 1.00 1.37 N ATOM 1716 CZ ARG A 111 13.235 11.362 -13.555 1.00 1.93 C ATOM 1717 NH1 ARG A 111 12.004 11.795 -13.546 1.00 2.21 N ATOM 1718 NH2 ARG A 111 14.015 11.632 -14.565 1.00 2.86 N ATOM 0 H ARG A 111 13.508 6.401 -9.449 1.00 0.37 H new ATOM 0 HA ARG A 111 13.919 8.910 -7.911 1.00 0.41 H new ATOM 0 HB2 ARG A 111 11.815 8.037 -9.935 1.00 0.45 H new ATOM 0 HB3 ARG A 111 11.831 9.600 -9.143 1.00 0.45 H new ATOM 0 HG2 ARG A 111 14.333 9.739 -10.017 1.00 0.53 H new ATOM 0 HG3 ARG A 111 13.842 8.472 -11.123 1.00 0.53 H new ATOM 0 HD2 ARG A 111 11.840 9.953 -11.775 1.00 0.59 H new ATOM 0 HD3 ARG A 111 12.569 11.237 -10.830 1.00 0.59 H new ATOM 0 HE ARG A 111 14.658 10.353 -12.542 1.00 1.37 H new ATOM 0 HH11 ARG A 111 11.397 11.591 -12.752 1.00 2.21 H new ATOM 0 HH12 ARG A 111 11.648 12.337 -14.333 1.00 2.21 H new ATOM 0 HH21 ARG A 111 14.980 11.301 -14.567 1.00 2.86 H new ATOM 0 HH22 ARG A 111 13.660 12.174 -15.353 1.00 2.86 H new ATOM 1732 N PHE A 112 12.617 7.917 -5.982 1.00 0.40 N ATOM 1733 CA PHE A 112 11.724 7.555 -4.857 1.00 0.42 C ATOM 1734 C PHE A 112 10.895 8.777 -4.466 1.00 0.50 C ATOM 1735 O PHE A 112 11.416 9.861 -4.294 1.00 0.58 O ATOM 1736 CB PHE A 112 12.602 7.102 -3.694 1.00 0.42 C ATOM 1737 CG PHE A 112 13.586 6.090 -4.230 1.00 0.35 C ATOM 1738 CD1 PHE A 112 13.183 4.771 -4.427 1.00 0.29 C ATOM 1739 CD2 PHE A 112 14.894 6.477 -4.556 1.00 0.38 C ATOM 1740 CE1 PHE A 112 14.086 3.834 -4.945 1.00 0.25 C ATOM 1741 CE2 PHE A 112 15.793 5.533 -5.074 1.00 0.35 C ATOM 1742 CZ PHE A 112 15.382 4.212 -5.265 1.00 0.28 C ATOM 0 H PHE A 112 13.536 8.265 -5.707 1.00 0.40 H new ATOM 0 HA PHE A 112 11.041 6.752 -5.135 1.00 0.42 H new ATOM 0 HB2 PHE A 112 13.127 7.952 -3.257 1.00 0.42 H new ATOM 0 HB3 PHE A 112 11.993 6.663 -2.904 1.00 0.42 H new ATOM 0 HD1 PHE A 112 12.175 4.471 -4.180 1.00 0.29 H new ATOM 0 HD2 PHE A 112 15.208 7.500 -4.409 1.00 0.38 H new ATOM 0 HE1 PHE A 112 13.772 2.812 -5.096 1.00 0.25 H new ATOM 0 HE2 PHE A 112 16.801 5.827 -5.325 1.00 0.35 H new ATOM 0 HZ PHE A 112 16.074 3.484 -5.662 1.00 0.28 H new ATOM 1752 N ASN A 113 9.605 8.613 -4.335 1.00 0.56 N ATOM 1753 CA ASN A 113 8.723 9.766 -3.973 1.00 0.66 C ATOM 1754 C ASN A 113 8.790 10.818 -5.085 1.00 1.47 C ATOM 1755 O ASN A 113 9.854 10.982 -5.660 1.00 2.22 O ATOM 1756 CB ASN A 113 9.175 10.406 -2.639 1.00 1.53 C ATOM 1757 CG ASN A 113 8.110 10.258 -1.534 1.00 2.22 C ATOM 1758 OD1 ASN A 113 6.982 9.872 -1.773 1.00 2.71 O ATOM 1759 ND2 ASN A 113 8.433 10.567 -0.309 1.00 3.05 N ATOM 1760 OXT ASN A 113 7.774 11.441 -5.345 1.00 2.04 O ATOM 0 H ASN A 113 9.120 7.725 -4.464 1.00 0.56 H new ATOM 0 HA ASN A 113 7.702 9.402 -3.857 1.00 0.66 H new ATOM 0 HB2 ASN A 113 10.104 9.940 -2.311 1.00 1.53 H new ATOM 0 HB3 ASN A 113 9.387 11.463 -2.798 1.00 1.53 H new ATOM 0 HD21 ASN A 113 7.742 10.484 0.437 1.00 3.05 H new ATOM 0 HD22 ASN A 113 9.376 10.892 -0.097 1.00 3.05 H new TER 1767 ASN A 113 CONECT 446 838 CONECT 677 1054 CONECT 838 446 CONECT 1054 677 END