USER MOD reduce.3.24.130724 H: found=0, std=0, add=1144, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1141 hydrogens (0 hets) HEADER METALLOPROTEASE 06-NOV-97 2AYK TITLE INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST TITLE 2 COLLAGENASE, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: COLLAGENASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MMP-1, FIBROBLAST COLLAGENASE; COMPND 5 EC: 3.4.24.7; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET-21A(+); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PNOT-3A KEYWDS MATRIX METALLOPROTEINASE, HYDROLASE, METALLOPROTEASE, KEYWDS 2 GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR R.POWERS,F.J.MOY REVDAT 2 24-FEB-09 2AYK 1 VERSN REVDAT 1 25-FEB-98 2AYK 0 JRNL AUTH F.J.MOY,P.K.CHANDA,S.COSMI,M.R.PISANO,C.URBANO, JRNL AUTH 2 J.WILHELM,R.POWERS JRNL TITL HIGH-RESOLUTION SOLUTION STRUCTURE OF THE JRNL TITL 2 INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN JRNL TITL 3 FIBROBLAST COLLAGENASE DETERMINED BY JRNL TITL 4 MULTIDIMENSIONAL NMR. JRNL REF BIOCHEMISTRY V. 37 1495 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9484219 JRNL DOI 10.1021/BI972181W REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.J.MOY,M.R.PISANO,P.K.CHANDA,C.URBANO,L.M.KILLAR, REMARK 1 AUTH 2 M.-L.SUNG,R.POWERS REMARK 1 TITL ASSIGNMENTS, SECONDARY STRUCTURE AND DYNAMICS OF REMARK 1 TITL 2 THE INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN REMARK 1 TITL 3 FIBROBLAST COLLAGENASE REMARK 1 REF J.BIOMOL.NMR V. 1 9 1997 REMARK 1 REFN ISSN 0925-2738 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.84 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 2AYK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 10 MM TRIS BASE, 100 MM NACL, REMARK 210 5 MM CACL2, 0.1 MM ZNCL2, 2MM REMARK 210 NAN3, 10 MM DEUTERATED DTT, REMARK 210 90% H2O/10%D2O OR 100% D2O REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TOCSY, TRIPLE- REMARK 210 RESONANCE, ETC. REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX2600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY- REMARK 210 DYNAMICAL SIMULATED ANNEALING REMARK 210 METHOD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY, LOWEST REMARK 210 VIOLATIONS, CONSISTENT FOLD REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 VAL A 1 REMARK 465 LEU A 2 REMARK 465 THR A 3 REMARK 465 GLU A 4 REMARK 465 GLY A 5 REMARK 465 ASN A 6 REMARK 465 GLN A 164 REMARK 465 ASN A 165 REMARK 465 PRO A 166 REMARK 465 VAL A 167 REMARK 465 GLN A 168 REMARK 465 PRO A 169 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 PRO A 23 0.45 -62.87 REMARK 500 PRO A 46 7.96 -65.91 REMARK 500 ASP A 75 66.01 -102.56 REMARK 500 PRO A 77 1.01 -64.01 REMARK 500 PRO A 87 97.44 -60.64 REMARK 500 ASP A 98 96.11 -69.03 REMARK 500 ARG A 108 -153.84 -60.27 REMARK 500 HIS A 128 170.67 -56.39 REMARK 500 TYR A 160 -60.56 -100.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 170 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 118 NE2 REMARK 620 2 HIS A 122 NE2 93.5 REMARK 620 3 HIS A 128 NE2 118.5 89.6 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 171 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 68 NE2 REMARK 620 2 ASP A 70 OD2 74.9 REMARK 620 3 HIS A 83 NE2 121.6 136.8 REMARK 620 4 HIS A 96 ND1 100.4 99.4 114.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 172 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY A 76 O REMARK 620 2 ASN A 80 O 153.1 REMARK 620 3 ASP A 98 OD2 97.7 102.8 REMARK 620 4 GLU A 101 OE2 111.2 95.0 53.8 REMARK 620 5 GLY A 78 O 65.0 92.2 161.6 136.2 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ZNA REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: ZNB REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: CAB REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: CA BINDING SITE. REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 170 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 171 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 172 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AYK RELATED DB: PDB DBREF 2AYK A 1 169 UNP P03956 MMP1_HUMAN 101 269 SEQRES 1 A 169 VAL LEU THR GLU GLY ASN PRO ARG TRP GLU GLN THR HIS SEQRES 2 A 169 LEU THR TYR ARG ILE GLU ASN TYR THR PRO ASP LEU PRO SEQRES 3 A 169 ARG ALA ASP VAL ASP HIS ALA ILE GLU LYS ALA PHE GLN SEQRES 4 A 169 LEU TRP SER ASN VAL THR PRO LEU THR PHE THR LYS VAL SEQRES 5 A 169 SER GLU GLY GLN ALA ASP ILE MET ILE SER PHE VAL ARG SEQRES 6 A 169 GLY ASP HIS ARG ASP ASN SER PRO PHE ASP GLY PRO GLY SEQRES 7 A 169 GLY ASN LEU ALA HIS ALA PHE GLN PRO GLY PRO GLY ILE SEQRES 8 A 169 GLY GLY ASP ALA HIS PHE ASP GLU ASP GLU ARG TRP THR SEQRES 9 A 169 ASN ASN PHE ARG GLU TYR ASN LEU HIS ARG VAL ALA ALA SEQRES 10 A 169 HIS GLU LEU GLY HIS SER LEU GLY LEU SER HIS SER THR SEQRES 11 A 169 ASP ILE GLY ALA LEU MET TYR PRO SER TYR THR PHE SER SEQRES 12 A 169 GLY ASP VAL GLN LEU ALA GLN ASP ASP ILE ASP GLY ILE SEQRES 13 A 169 GLN ALA ILE TYR GLY ARG SER GLN ASN PRO VAL GLN PRO HET ZN A 170 1 HET ZN A 171 1 HET CA A 172 1 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA CA 2+ HELIX 1 1 ARG A 27 ASN A 43 1 17 HELIX 2 2 LEU A 112 SER A 123 1 12 HELIX 3 3 GLN A 150 ILE A 159 1 10 SHEET 1 A 5 THR A 48 LYS A 51 0 SHEET 2 A 5 HIS A 13 ILE A 18 1 N LEU A 14 O THR A 48 SHEET 3 A 5 ILE A 59 VAL A 64 1 N ILE A 59 O ARG A 17 SHEET 4 A 5 ALA A 95 ASP A 98 1 N ALA A 95 O SER A 62 SHEET 5 A 5 ALA A 82 ALA A 84 -1 N HIS A 83 O HIS A 96 LINK ZN ZN A 170 NE2 HIS A 118 1555 1555 2.06 LINK ZN ZN A 170 NE2 HIS A 122 1555 1555 2.01 LINK ZN ZN A 170 NE2 HIS A 128 1555 1555 2.11 LINK ZN ZN A 171 NE2 HIS A 68 1555 1555 1.98 LINK ZN ZN A 171 OD2 ASP A 70 1555 1555 2.21 LINK ZN ZN A 171 NE2 HIS A 83 1555 1555 2.09 LINK ZN ZN A 171 ND1 HIS A 96 1555 1555 2.12 LINK CA CA A 172 O GLY A 76 1555 1555 2.89 LINK CA CA A 172 O ASN A 80 1555 1555 2.90 LINK CA CA A 172 OD2 ASP A 98 1555 1555 2.90 LINK CA CA A 172 OE2 GLU A 101 1555 1555 2.88 LINK CA CA A 172 O GLY A 78 1555 1555 2.88 SITE *** ZNA 3 HIS A 118 HIS A 122 HIS A 128 SITE *** ZNB 3 HIS A 68 HIS A 83 HIS A 96 SITE *** CAB 3 GLY A 76 GLY A 78 ASN A 80 SITE *** AC1 3 HIS A 118 HIS A 122 HIS A 128 SITE *** AC2 4 HIS A 68 ASP A 70 HIS A 83 HIS A 96 SITE *** AC3 5 GLY A 76 GLY A 78 ASN A 80 ASP A 98 SITE *** AC3 5 GLU A 101 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 NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 171 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 171 ZNZN :(H bumps) USER MOD NoAdj-H: A 96 HIS HD1 : A 96 HIS ND1 : A 171 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HE2 : A 118 HIS NE2 : A 170 ZNZN :(H bumps) USER MOD NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 170 ZNZN :(H bumps) USER MOD NoAdj-H: A 128 HIS HE2 : A 128 HIS NE2 : A 170 ZNZN :(H bumps) USER MOD Set 1.1: A 12 THR OG1 : rot 39:sc= 0.636 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -4.43! C(o=-6.3!,f=-11!) USER MOD Set 1.3: A 48 THR OG1 : rot 100:sc= -2.52! USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 20 ASN : amide:sc= -2.99! C(o=-3!,f=-8!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.394 USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.132 USER MOD Single : A 32 HIS : no HE2:sc= -0.904 K(o=-0.9,f=-2.3!) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.221 (180deg=-1.42!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 42 SER OG : rot 95:sc= 0.921 USER MOD Single : A 43 ASN : amide:sc= -2.34! C(o=-2.3!,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot -81:sc= 0.352 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -43:sc= 0.223 USER MOD Single : A 56 GLN : amide:sc=-0.00241 K(o=-0.0024,f=-1.1) USER MOD Single : A 60 MET CE :methyl -147:sc= -0.327 (180deg=-1.64!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.773 K(o=-0.77,f=-5.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.8!) USER MOD Single : A 86 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.4!) USER MOD Single : A 104 THR OG1 : rot -3:sc= -1.42! USER MOD Single : A 105 ASN : amide:sc= -1.6 K(o=-1.6,f=-3!) USER MOD Single : A 106 ASN : amide:sc= -4.19 K(o=-4.2,f=-8.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 113 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-4.5!) USER MOD Single : A 123 SER OG : rot -31:sc= 1.09 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 164:sc= 0.017 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 MET CE :methyl -159:sc= -0.036 (180deg=-0.466) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 30:sc= -0.562 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 11:sc= -1.4! USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 157 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.7) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot -140:sc= -0.78 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 7 4.862 20.520 36.583 1.00 1.46 N ATOM 2 CA PRO A 7 4.411 21.937 36.559 1.00 1.19 C ATOM 3 C PRO A 7 4.358 22.504 35.137 1.00 0.98 C ATOM 4 O PRO A 7 5.286 22.361 34.366 1.00 1.33 O ATOM 5 CB PRO A 7 5.485 22.640 37.390 1.00 2.14 C ATOM 6 CG PRO A 7 6.515 21.600 37.858 1.00 2.62 C ATOM 7 CD PRO A 7 6.111 20.222 37.323 1.00 2.24 C ATOM 0 HA PRO A 7 3.399 22.065 36.943 1.00 1.19 H new ATOM 0 HB2 PRO A 7 5.973 23.414 36.797 1.00 2.14 H new ATOM 0 HB3 PRO A 7 5.032 23.135 38.249 1.00 2.14 H new ATOM 0 HG2 PRO A 7 7.509 21.867 37.499 1.00 2.62 H new ATOM 0 HG3 PRO A 7 6.564 21.582 38.947 1.00 2.62 H new ATOM 0 HD2 PRO A 7 6.877 19.798 36.673 1.00 2.24 H new ATOM 0 HD3 PRO A 7 5.945 19.507 38.128 1.00 2.24 H new ATOM 15 N ARG A 8 3.268 23.129 34.780 1.00 0.68 N ATOM 16 CA ARG A 8 3.139 23.689 33.403 1.00 0.52 C ATOM 17 C ARG A 8 2.315 24.977 33.459 1.00 0.43 C ATOM 18 O ARG A 8 1.610 25.229 34.415 1.00 0.45 O ATOM 19 CB ARG A 8 2.436 22.667 32.512 1.00 0.57 C ATOM 20 CG ARG A 8 3.270 21.387 32.479 1.00 0.74 C ATOM 21 CD ARG A 8 2.669 20.408 31.485 1.00 1.30 C ATOM 22 NE ARG A 8 2.882 19.020 31.977 1.00 1.92 N ATOM 23 CZ ARG A 8 2.151 18.044 31.516 1.00 2.69 C ATOM 24 NH1 ARG A 8 1.223 18.287 30.636 1.00 3.12 N ATOM 25 NH2 ARG A 8 2.339 16.829 31.949 1.00 3.51 N ATOM 0 H ARG A 8 2.459 23.276 35.384 1.00 0.68 H new ATOM 0 HA ARG A 8 4.126 23.908 32.996 1.00 0.52 H new ATOM 0 HB2 ARG A 8 1.437 22.457 32.894 1.00 0.57 H new ATOM 0 HB3 ARG A 8 2.315 23.065 31.504 1.00 0.57 H new ATOM 0 HG2 ARG A 8 4.298 21.619 32.199 1.00 0.74 H new ATOM 0 HG3 ARG A 8 3.303 20.938 33.472 1.00 0.74 H new ATOM 0 HD2 ARG A 8 1.604 20.604 31.362 1.00 1.30 H new ATOM 0 HD3 ARG A 8 3.131 20.535 30.506 1.00 1.30 H new ATOM 0 HE ARG A 8 3.601 18.832 32.676 1.00 1.92 H new ATOM 0 HH11 ARG A 8 1.068 19.240 30.308 1.00 3.12 H new ATOM 0 HH12 ARG A 8 0.650 17.524 30.275 1.00 3.12 H new ATOM 0 HH21 ARG A 8 3.058 16.642 32.648 1.00 3.51 H new ATOM 0 HH22 ARG A 8 1.767 16.065 31.589 1.00 3.51 H new ATOM 39 N TRP A 9 2.400 25.800 32.449 1.00 0.39 N ATOM 40 CA TRP A 9 1.619 27.069 32.468 1.00 0.39 C ATOM 41 C TRP A 9 0.126 26.741 32.415 1.00 0.46 C ATOM 42 O TRP A 9 -0.333 26.026 31.546 1.00 0.50 O ATOM 43 CB TRP A 9 2.000 27.918 31.252 1.00 0.40 C ATOM 44 CG TRP A 9 3.462 28.230 31.301 1.00 0.33 C ATOM 45 CD1 TRP A 9 4.418 27.574 30.605 1.00 0.35 C ATOM 46 CD2 TRP A 9 4.149 29.259 32.072 1.00 0.35 C ATOM 47 NE1 TRP A 9 5.649 28.133 30.900 1.00 0.33 N ATOM 48 CE2 TRP A 9 5.536 29.175 31.799 1.00 0.32 C ATOM 49 CE3 TRP A 9 3.710 30.246 32.972 1.00 0.48 C ATOM 50 CZ2 TRP A 9 6.453 30.040 32.398 1.00 0.39 C ATOM 51 CZ3 TRP A 9 4.630 31.118 33.576 1.00 0.56 C ATOM 52 CH2 TRP A 9 5.999 31.015 33.290 1.00 0.51 C ATOM 0 H TRP A 9 2.972 25.650 31.618 1.00 0.39 H new ATOM 0 HA TRP A 9 1.839 27.624 33.380 1.00 0.39 H new ATOM 0 HB2 TRP A 9 1.762 27.383 30.333 1.00 0.40 H new ATOM 0 HB3 TRP A 9 1.420 28.841 31.243 1.00 0.40 H new ATOM 0 HD1 TRP A 9 4.248 26.749 29.929 1.00 0.35 H new ATOM 0 HE1 TRP A 9 6.532 27.814 30.502 1.00 0.33 H new ATOM 0 HE3 TRP A 9 2.658 30.334 33.200 1.00 0.48 H new ATOM 0 HZ2 TRP A 9 7.506 29.956 32.174 1.00 0.39 H new ATOM 0 HZ3 TRP A 9 4.281 31.873 34.265 1.00 0.56 H new ATOM 0 HH2 TRP A 9 6.701 31.688 33.759 1.00 0.51 H new ATOM 63 N GLU A 10 -0.635 27.255 33.342 1.00 0.52 N ATOM 64 CA GLU A 10 -2.097 26.970 33.350 1.00 0.62 C ATOM 65 C GLU A 10 -2.801 27.881 32.343 1.00 0.53 C ATOM 66 O GLU A 10 -3.923 27.635 31.946 1.00 0.53 O ATOM 67 CB GLU A 10 -2.653 27.238 34.750 1.00 0.75 C ATOM 68 CG GLU A 10 -2.023 26.264 35.748 1.00 0.87 C ATOM 69 CD GLU A 10 -2.454 26.638 37.168 1.00 1.47 C ATOM 70 OE1 GLU A 10 -3.623 26.473 37.474 1.00 2.08 O ATOM 71 OE2 GLU A 10 -1.606 27.082 37.925 1.00 2.11 O ATOM 0 H GLU A 10 -0.307 27.860 34.095 1.00 0.52 H new ATOM 0 HA GLU A 10 -2.268 25.928 33.078 1.00 0.62 H new ATOM 0 HB2 GLU A 10 -2.441 28.265 35.046 1.00 0.75 H new ATOM 0 HB3 GLU A 10 -3.737 27.124 34.750 1.00 0.75 H new ATOM 0 HG2 GLU A 10 -2.331 25.243 35.520 1.00 0.87 H new ATOM 0 HG3 GLU A 10 -0.937 26.295 35.666 1.00 0.87 H new ATOM 78 N GLN A 11 -2.154 28.938 31.933 1.00 0.50 N ATOM 79 CA GLN A 11 -2.787 29.871 30.960 1.00 0.43 C ATOM 80 C GLN A 11 -2.543 29.371 29.534 1.00 0.39 C ATOM 81 O GLN A 11 -1.581 28.680 29.266 1.00 0.42 O ATOM 82 CB GLN A 11 -2.175 31.264 31.121 1.00 0.46 C ATOM 83 CG GLN A 11 -2.400 31.755 32.551 1.00 0.71 C ATOM 84 CD GLN A 11 -1.791 33.147 32.721 1.00 1.29 C ATOM 85 OE1 GLN A 11 -0.939 33.548 31.954 1.00 1.88 O ATOM 86 NE2 GLN A 11 -2.197 33.907 33.701 1.00 2.05 N ATOM 0 H GLN A 11 -1.213 29.195 32.231 1.00 0.50 H new ATOM 0 HA GLN A 11 -3.860 29.917 31.149 1.00 0.43 H new ATOM 0 HB2 GLN A 11 -1.108 31.233 30.899 1.00 0.46 H new ATOM 0 HB3 GLN A 11 -2.628 31.957 30.411 1.00 0.46 H new ATOM 0 HG2 GLN A 11 -3.467 31.785 32.771 1.00 0.71 H new ATOM 0 HG3 GLN A 11 -1.948 31.061 33.259 1.00 0.71 H new ATOM 0 HE21 GLN A 11 -2.913 33.570 34.345 1.00 2.05 H new ATOM 0 HE22 GLN A 11 -1.799 34.838 33.823 1.00 2.05 H new ATOM 95 N THR A 12 -3.406 29.717 28.617 1.00 0.38 N ATOM 96 CA THR A 12 -3.221 29.266 27.207 1.00 0.40 C ATOM 97 C THR A 12 -2.466 30.341 26.418 1.00 0.36 C ATOM 98 O THR A 12 -2.131 30.153 25.265 1.00 0.41 O ATOM 99 CB THR A 12 -4.590 29.032 26.563 1.00 0.47 C ATOM 100 OG1 THR A 12 -5.393 30.190 26.737 1.00 0.50 O ATOM 101 CG2 THR A 12 -5.276 27.829 27.216 1.00 0.49 C ATOM 0 H THR A 12 -4.231 30.293 28.783 1.00 0.38 H new ATOM 0 HA THR A 12 -2.648 28.339 27.197 1.00 0.40 H new ATOM 0 HB THR A 12 -4.459 28.832 25.500 1.00 0.47 H new ATOM 0 HG1 THR A 12 -4.839 30.991 26.628 1.00 0.50 H new ATOM 0 HG21 THR A 12 -6.249 27.669 26.752 1.00 0.49 H new ATOM 0 HG22 THR A 12 -4.659 26.941 27.080 1.00 0.49 H new ATOM 0 HG23 THR A 12 -5.408 28.020 28.281 1.00 0.49 H new ATOM 109 N HIS A 13 -2.197 31.461 27.038 1.00 0.31 N ATOM 110 CA HIS A 13 -1.461 32.562 26.345 1.00 0.30 C ATOM 111 C HIS A 13 -0.249 32.958 27.188 1.00 0.28 C ATOM 112 O HIS A 13 -0.300 32.937 28.402 1.00 0.32 O ATOM 113 CB HIS A 13 -2.382 33.774 26.187 1.00 0.34 C ATOM 114 CG HIS A 13 -3.559 33.409 25.323 1.00 0.41 C ATOM 115 ND1 HIS A 13 -4.311 32.266 25.543 1.00 1.21 N ATOM 116 CD2 HIS A 13 -4.130 34.031 24.241 1.00 1.14 C ATOM 117 CE1 HIS A 13 -5.284 32.236 24.613 1.00 0.94 C ATOM 118 NE2 HIS A 13 -5.219 33.289 23.794 1.00 0.80 N ATOM 0 H HIS A 13 -2.458 31.662 28.003 1.00 0.31 H new ATOM 0 HA HIS A 13 -1.136 32.223 25.361 1.00 0.30 H new ATOM 0 HB2 HIS A 13 -2.727 34.110 27.165 1.00 0.34 H new ATOM 0 HB3 HIS A 13 -1.834 34.603 25.740 1.00 0.34 H new ATOM 0 HD2 HIS A 13 -3.786 34.956 23.803 1.00 1.14 H new ATOM 0 HE1 HIS A 13 -6.027 31.455 24.538 1.00 0.94 H new ATOM 0 HE2 HIS A 13 -5.835 33.503 23.010 1.00 0.80 H new ATOM 126 N LEU A 14 0.842 33.315 26.558 1.00 0.27 N ATOM 127 CA LEU A 14 2.057 33.710 27.332 1.00 0.27 C ATOM 128 C LEU A 14 2.689 34.937 26.679 1.00 0.24 C ATOM 129 O LEU A 14 2.373 35.286 25.562 1.00 0.23 O ATOM 130 CB LEU A 14 3.081 32.562 27.352 1.00 0.30 C ATOM 131 CG LEU A 14 2.484 31.289 27.980 1.00 0.36 C ATOM 132 CD1 LEU A 14 3.408 30.109 27.666 1.00 0.41 C ATOM 133 CD2 LEU A 14 2.361 31.422 29.511 1.00 0.44 C ATOM 0 H LEU A 14 0.943 33.350 25.544 1.00 0.27 H new ATOM 0 HA LEU A 14 1.765 33.938 28.357 1.00 0.27 H new ATOM 0 HB2 LEU A 14 3.410 32.348 26.335 1.00 0.30 H new ATOM 0 HB3 LEU A 14 3.963 32.868 27.915 1.00 0.30 H new ATOM 0 HG LEU A 14 1.488 31.133 27.565 1.00 0.36 H new ATOM 0 HD11 LEU A 14 2.998 29.199 28.105 1.00 0.41 H new ATOM 0 HD12 LEU A 14 3.488 29.987 26.586 1.00 0.41 H new ATOM 0 HD13 LEU A 14 4.397 30.300 28.084 1.00 0.41 H new ATOM 0 HD21 LEU A 14 1.936 30.507 29.923 1.00 0.44 H new ATOM 0 HD22 LEU A 14 3.348 31.590 29.942 1.00 0.44 H new ATOM 0 HD23 LEU A 14 1.712 32.264 29.752 1.00 0.44 H new ATOM 145 N THR A 15 3.560 35.616 27.386 1.00 0.24 N ATOM 146 CA THR A 15 4.202 36.844 26.825 1.00 0.23 C ATOM 147 C THR A 15 5.719 36.775 27.022 1.00 0.21 C ATOM 148 O THR A 15 6.215 36.021 27.838 1.00 0.21 O ATOM 149 CB THR A 15 3.682 38.085 27.558 1.00 0.27 C ATOM 150 OG1 THR A 15 4.114 38.045 28.910 1.00 0.30 O ATOM 151 CG2 THR A 15 2.149 38.157 27.515 1.00 0.31 C ATOM 0 H THR A 15 3.854 35.370 28.331 1.00 0.24 H new ATOM 0 HA THR A 15 3.962 36.905 25.763 1.00 0.23 H new ATOM 0 HB THR A 15 4.079 38.969 27.060 1.00 0.27 H new ATOM 0 HG1 THR A 15 3.785 38.838 29.382 1.00 0.30 H new ATOM 0 HG21 THR A 15 1.812 39.049 28.044 1.00 0.31 H new ATOM 0 HG22 THR A 15 1.816 38.202 26.478 1.00 0.31 H new ATOM 0 HG23 THR A 15 1.730 37.272 27.993 1.00 0.31 H new ATOM 159 N TYR A 16 6.462 37.569 26.290 1.00 0.21 N ATOM 160 CA TYR A 16 7.949 37.553 26.453 1.00 0.20 C ATOM 161 C TYR A 16 8.524 38.958 26.219 1.00 0.21 C ATOM 162 O TYR A 16 7.958 39.766 25.505 1.00 0.24 O ATOM 163 CB TYR A 16 8.567 36.566 25.458 1.00 0.23 C ATOM 164 CG TYR A 16 8.317 37.030 24.045 1.00 0.27 C ATOM 165 CD1 TYR A 16 7.132 36.672 23.393 1.00 0.28 C ATOM 166 CD2 TYR A 16 9.273 37.811 23.385 1.00 0.35 C ATOM 167 CE1 TYR A 16 6.902 37.096 22.079 1.00 0.34 C ATOM 168 CE2 TYR A 16 9.044 38.232 22.070 1.00 0.40 C ATOM 169 CZ TYR A 16 7.858 37.875 21.417 1.00 0.39 C ATOM 170 OH TYR A 16 7.634 38.286 20.119 1.00 0.46 O ATOM 0 H TYR A 16 6.107 38.222 25.592 1.00 0.21 H new ATOM 0 HA TYR A 16 8.190 37.240 27.469 1.00 0.20 H new ATOM 0 HB2 TYR A 16 9.639 36.481 25.637 1.00 0.23 H new ATOM 0 HB3 TYR A 16 8.139 35.574 25.604 1.00 0.23 H new ATOM 0 HD1 TYR A 16 6.395 36.069 23.903 1.00 0.28 H new ATOM 0 HD2 TYR A 16 10.186 38.088 23.890 1.00 0.35 H new ATOM 0 HE1 TYR A 16 5.987 36.822 21.576 1.00 0.34 H new ATOM 0 HE2 TYR A 16 9.782 38.832 21.559 1.00 0.40 H new ATOM 0 HH TYR A 16 8.395 38.819 19.809 1.00 0.46 H new ATOM 180 N ARG A 17 9.650 39.251 26.824 1.00 0.20 N ATOM 181 CA ARG A 17 10.280 40.596 26.649 1.00 0.22 C ATOM 182 C ARG A 17 11.802 40.446 26.609 1.00 0.21 C ATOM 183 O ARG A 17 12.383 39.717 27.389 1.00 0.22 O ATOM 184 CB ARG A 17 9.924 41.502 27.834 1.00 0.24 C ATOM 185 CG ARG A 17 10.408 42.935 27.552 1.00 0.31 C ATOM 186 CD ARG A 17 10.427 43.740 28.850 1.00 0.40 C ATOM 187 NE ARG A 17 10.843 45.141 28.542 1.00 1.33 N ATOM 188 CZ ARG A 17 10.796 46.056 29.469 1.00 1.89 C ATOM 189 NH1 ARG A 17 10.448 45.732 30.684 1.00 2.17 N ATOM 190 NH2 ARG A 17 11.114 47.290 29.187 1.00 2.84 N ATOM 0 H ARG A 17 10.161 38.613 27.434 1.00 0.20 H new ATOM 0 HA ARG A 17 9.913 41.033 25.720 1.00 0.22 H new ATOM 0 HB2 ARG A 17 8.846 41.497 27.998 1.00 0.24 H new ATOM 0 HB3 ARG A 17 10.387 41.124 28.746 1.00 0.24 H new ATOM 0 HG2 ARG A 17 11.405 42.912 27.113 1.00 0.31 H new ATOM 0 HG3 ARG A 17 9.751 43.414 26.826 1.00 0.31 H new ATOM 0 HD2 ARG A 17 9.440 43.733 29.313 1.00 0.40 H new ATOM 0 HD3 ARG A 17 11.117 43.290 29.563 1.00 0.40 H new ATOM 0 HE ARG A 17 11.164 45.382 27.605 1.00 1.33 H new ATOM 0 HH11 ARG A 17 10.214 44.765 30.907 1.00 2.17 H new ATOM 0 HH12 ARG A 17 10.410 46.446 31.411 1.00 2.17 H new ATOM 0 HH21 ARG A 17 11.400 47.539 28.240 1.00 2.84 H new ATOM 0 HH22 ARG A 17 11.077 48.005 29.913 1.00 2.84 H new ATOM 204 N ILE A 18 12.455 41.156 25.729 1.00 0.22 N ATOM 205 CA ILE A 18 13.942 41.082 25.665 1.00 0.23 C ATOM 206 C ILE A 18 14.520 42.232 26.497 1.00 0.23 C ATOM 207 O ILE A 18 14.172 43.381 26.309 1.00 0.22 O ATOM 208 CB ILE A 18 14.403 41.199 24.207 1.00 0.28 C ATOM 209 CG1 ILE A 18 13.789 40.039 23.408 1.00 0.32 C ATOM 210 CG2 ILE A 18 15.939 41.107 24.151 1.00 0.32 C ATOM 211 CD1 ILE A 18 13.879 40.313 21.902 1.00 0.37 C ATOM 0 H ILE A 18 12.022 41.784 25.052 1.00 0.22 H new ATOM 0 HA ILE A 18 14.290 40.128 26.062 1.00 0.23 H new ATOM 0 HB ILE A 18 14.085 42.152 23.785 1.00 0.28 H new ATOM 0 HG12 ILE A 18 14.309 39.111 23.646 1.00 0.32 H new ATOM 0 HG13 ILE A 18 12.747 39.903 23.697 1.00 0.32 H new ATOM 0 HG21 ILE A 18 16.271 41.190 23.116 1.00 0.32 H new ATOM 0 HG22 ILE A 18 16.374 41.917 24.737 1.00 0.32 H new ATOM 0 HG23 ILE A 18 16.261 40.149 24.560 1.00 0.32 H new ATOM 0 HD11 ILE A 18 13.439 39.480 21.354 1.00 0.37 H new ATOM 0 HD12 ILE A 18 13.338 41.229 21.666 1.00 0.37 H new ATOM 0 HD13 ILE A 18 14.924 40.425 21.614 1.00 0.37 H new ATOM 223 N GLU A 19 15.394 41.933 27.420 1.00 0.24 N ATOM 224 CA GLU A 19 15.984 43.012 28.264 1.00 0.26 C ATOM 225 C GLU A 19 16.894 43.898 27.410 1.00 0.26 C ATOM 226 O GLU A 19 16.902 45.106 27.547 1.00 0.29 O ATOM 227 CB GLU A 19 16.802 42.378 29.392 1.00 0.28 C ATOM 228 CG GLU A 19 16.136 42.661 30.740 1.00 1.06 C ATOM 229 CD GLU A 19 16.787 41.793 31.819 1.00 1.53 C ATOM 230 OE1 GLU A 19 17.927 41.402 31.629 1.00 1.99 O ATOM 231 OE2 GLU A 19 16.135 41.537 32.818 1.00 2.22 O ATOM 0 H GLU A 19 15.725 40.990 27.626 1.00 0.24 H new ATOM 0 HA GLU A 19 15.185 43.621 28.686 1.00 0.26 H new ATOM 0 HB2 GLU A 19 16.882 41.302 29.235 1.00 0.28 H new ATOM 0 HB3 GLU A 19 17.816 42.777 29.386 1.00 0.28 H new ATOM 0 HG2 GLU A 19 16.239 43.716 30.995 1.00 1.06 H new ATOM 0 HG3 GLU A 19 15.068 42.450 30.682 1.00 1.06 H new ATOM 238 N ASN A 20 17.652 43.315 26.523 1.00 0.27 N ATOM 239 CA ASN A 20 18.546 44.135 25.659 1.00 0.29 C ATOM 240 C ASN A 20 19.043 43.289 24.489 1.00 0.28 C ATOM 241 O ASN A 20 18.955 42.077 24.510 1.00 0.29 O ATOM 242 CB ASN A 20 19.737 44.670 26.483 1.00 0.36 C ATOM 243 CG ASN A 20 20.835 43.603 26.672 1.00 1.28 C ATOM 244 OD1 ASN A 20 21.066 42.765 25.825 1.00 2.26 O ATOM 245 ND2 ASN A 20 21.550 43.618 27.763 1.00 1.73 N ATOM 0 H ASN A 20 17.691 42.309 26.359 1.00 0.27 H new ATOM 0 HA ASN A 20 17.988 44.986 25.269 1.00 0.29 H new ATOM 0 HB2 ASN A 20 20.161 45.542 25.984 1.00 0.36 H new ATOM 0 HB3 ASN A 20 19.383 45.002 27.459 1.00 0.36 H new ATOM 0 HD21 ASN A 20 22.292 42.931 27.896 1.00 1.73 H new ATOM 0 HD22 ASN A 20 21.367 44.317 28.483 1.00 1.73 H new ATOM 252 N TYR A 21 19.577 43.920 23.479 1.00 0.31 N ATOM 253 CA TYR A 21 20.100 43.163 22.306 1.00 0.31 C ATOM 254 C TYR A 21 21.627 43.175 22.351 1.00 0.36 C ATOM 255 O TYR A 21 22.242 44.204 22.549 1.00 0.39 O ATOM 256 CB TYR A 21 19.618 43.831 21.021 1.00 0.30 C ATOM 257 CG TYR A 21 18.120 43.695 20.929 1.00 0.29 C ATOM 258 CD1 TYR A 21 17.293 44.676 21.488 1.00 0.31 C ATOM 259 CD2 TYR A 21 17.558 42.585 20.291 1.00 0.30 C ATOM 260 CE1 TYR A 21 15.902 44.547 21.407 1.00 0.33 C ATOM 261 CE2 TYR A 21 16.168 42.455 20.210 1.00 0.32 C ATOM 262 CZ TYR A 21 15.339 43.437 20.768 1.00 0.34 C ATOM 263 OH TYR A 21 13.967 43.309 20.689 1.00 0.38 O ATOM 0 H TYR A 21 19.674 44.933 23.416 1.00 0.31 H new ATOM 0 HA TYR A 21 19.741 42.134 22.334 1.00 0.31 H new ATOM 0 HB2 TYR A 21 19.901 44.883 21.015 1.00 0.30 H new ATOM 0 HB3 TYR A 21 20.092 43.368 20.155 1.00 0.30 H new ATOM 0 HD1 TYR A 21 17.728 45.532 21.982 1.00 0.31 H new ATOM 0 HD2 TYR A 21 18.197 41.828 19.861 1.00 0.30 H new ATOM 0 HE1 TYR A 21 15.263 45.304 21.838 1.00 0.33 H new ATOM 0 HE2 TYR A 21 15.734 41.598 19.717 1.00 0.32 H new ATOM 0 HH TYR A 21 13.742 42.482 20.213 1.00 0.38 H new ATOM 273 N THR A 22 22.245 42.040 22.181 1.00 0.39 N ATOM 274 CA THR A 22 23.734 41.993 22.226 1.00 0.45 C ATOM 275 C THR A 22 24.306 42.609 20.930 1.00 0.41 C ATOM 276 O THR A 22 23.776 42.371 19.863 1.00 0.37 O ATOM 277 CB THR A 22 24.195 40.536 22.351 1.00 0.52 C ATOM 278 OG1 THR A 22 25.603 40.474 22.172 1.00 0.56 O ATOM 279 CG2 THR A 22 23.506 39.672 21.292 1.00 0.50 C ATOM 0 H THR A 22 21.786 41.145 22.013 1.00 0.39 H new ATOM 0 HA THR A 22 24.092 42.560 23.085 1.00 0.45 H new ATOM 0 HB THR A 22 23.931 40.160 23.339 1.00 0.52 H new ATOM 0 HG1 THR A 22 26.050 40.743 23.001 1.00 0.56 H new ATOM 0 HG21 THR A 22 23.841 38.639 21.390 1.00 0.50 H new ATOM 0 HG22 THR A 22 22.426 39.718 21.431 1.00 0.50 H new ATOM 0 HG23 THR A 22 23.760 40.043 20.299 1.00 0.50 H new ATOM 287 N PRO A 23 25.374 43.393 20.992 1.00 0.46 N ATOM 288 CA PRO A 23 25.941 43.995 19.750 1.00 0.48 C ATOM 289 C PRO A 23 26.452 42.944 18.763 1.00 0.45 C ATOM 290 O PRO A 23 26.951 43.270 17.704 1.00 0.48 O ATOM 291 CB PRO A 23 27.113 44.824 20.275 1.00 0.58 C ATOM 292 CG PRO A 23 27.258 44.584 21.781 1.00 0.61 C ATOM 293 CD PRO A 23 26.078 43.737 22.261 1.00 0.54 C ATOM 0 HA PRO A 23 25.192 44.564 19.199 1.00 0.48 H new ATOM 0 HB2 PRO A 23 28.032 44.546 19.759 1.00 0.58 H new ATOM 0 HB3 PRO A 23 26.944 45.882 20.077 1.00 0.58 H new ATOM 0 HG2 PRO A 23 28.199 44.076 21.993 1.00 0.61 H new ATOM 0 HG3 PRO A 23 27.282 45.534 22.314 1.00 0.61 H new ATOM 0 HD2 PRO A 23 26.411 42.845 22.792 1.00 0.54 H new ATOM 0 HD3 PRO A 23 25.433 44.292 22.942 1.00 0.54 H new ATOM 301 N ASP A 24 26.335 41.688 19.092 1.00 0.42 N ATOM 302 CA ASP A 24 26.822 40.643 18.153 1.00 0.44 C ATOM 303 C ASP A 24 26.008 40.708 16.861 1.00 0.39 C ATOM 304 O ASP A 24 26.539 40.560 15.778 1.00 0.48 O ATOM 305 CB ASP A 24 26.657 39.257 18.785 1.00 0.46 C ATOM 306 CG ASP A 24 27.650 39.094 19.937 1.00 0.53 C ATOM 307 OD1 ASP A 24 28.646 39.798 19.940 1.00 1.20 O ATOM 308 OD2 ASP A 24 27.399 38.264 20.796 1.00 1.21 O ATOM 0 H ASP A 24 25.928 41.343 19.961 1.00 0.42 H new ATOM 0 HA ASP A 24 27.876 40.816 17.937 1.00 0.44 H new ATOM 0 HB2 ASP A 24 25.638 39.132 19.150 1.00 0.46 H new ATOM 0 HB3 ASP A 24 26.824 38.483 18.036 1.00 0.46 H new ATOM 313 N LEU A 25 24.718 40.925 16.965 1.00 0.33 N ATOM 314 CA LEU A 25 23.864 40.993 15.737 1.00 0.31 C ATOM 315 C LEU A 25 22.780 42.075 15.928 1.00 0.30 C ATOM 316 O LEU A 25 22.357 42.323 17.040 1.00 0.30 O ATOM 317 CB LEU A 25 23.161 39.640 15.519 1.00 0.32 C ATOM 318 CG LEU A 25 24.165 38.518 15.218 1.00 0.37 C ATOM 319 CD1 LEU A 25 23.490 37.178 15.500 1.00 0.43 C ATOM 320 CD2 LEU A 25 24.597 38.559 13.745 1.00 0.46 C ATOM 0 H LEU A 25 24.221 41.058 17.846 1.00 0.33 H new ATOM 0 HA LEU A 25 24.493 41.231 14.879 1.00 0.31 H new ATOM 0 HB2 LEU A 25 22.584 39.383 16.407 1.00 0.32 H new ATOM 0 HB3 LEU A 25 22.454 39.726 14.694 1.00 0.32 H new ATOM 0 HG LEU A 25 25.047 38.648 15.845 1.00 0.37 H new ATOM 0 HD11 LEU A 25 24.189 36.368 15.292 1.00 0.43 H new ATOM 0 HD12 LEU A 25 23.187 37.136 16.546 1.00 0.43 H new ATOM 0 HD13 LEU A 25 22.611 37.072 14.864 1.00 0.43 H new ATOM 0 HD21 LEU A 25 25.308 37.756 13.552 1.00 0.46 H new ATOM 0 HD22 LEU A 25 23.723 38.431 13.106 1.00 0.46 H new ATOM 0 HD23 LEU A 25 25.066 39.519 13.530 1.00 0.46 H new ATOM 332 N PRO A 26 22.305 42.709 14.866 1.00 0.31 N ATOM 333 CA PRO A 26 21.239 43.743 15.010 1.00 0.33 C ATOM 334 C PRO A 26 19.955 43.182 15.632 1.00 0.30 C ATOM 335 O PRO A 26 19.592 42.044 15.414 1.00 0.30 O ATOM 336 CB PRO A 26 20.978 44.174 13.566 1.00 0.37 C ATOM 337 CG PRO A 26 21.882 43.365 12.632 1.00 0.37 C ATOM 338 CD PRO A 26 22.788 42.464 13.474 1.00 0.33 C ATOM 0 HA PRO A 26 21.545 44.553 15.672 1.00 0.33 H new ATOM 0 HB2 PRO A 26 19.931 44.013 13.309 1.00 0.37 H new ATOM 0 HB3 PRO A 26 21.175 45.240 13.450 1.00 0.37 H new ATOM 0 HG2 PRO A 26 21.279 42.763 11.952 1.00 0.37 H new ATOM 0 HG3 PRO A 26 22.483 44.034 12.017 1.00 0.37 H new ATOM 0 HD2 PRO A 26 22.690 41.416 13.191 1.00 0.33 H new ATOM 0 HD3 PRO A 26 23.839 42.728 13.359 1.00 0.33 H new ATOM 346 N ARG A 27 19.265 43.979 16.400 1.00 0.32 N ATOM 347 CA ARG A 27 18.004 43.507 17.038 1.00 0.33 C ATOM 348 C ARG A 27 16.988 43.119 15.963 1.00 0.34 C ATOM 349 O ARG A 27 16.220 42.191 16.126 1.00 0.35 O ATOM 350 CB ARG A 27 17.434 44.628 17.902 1.00 0.38 C ATOM 351 CG ARG A 27 17.085 45.823 17.021 1.00 0.41 C ATOM 352 CD ARG A 27 16.821 47.034 17.911 1.00 0.65 C ATOM 353 NE ARG A 27 16.313 48.159 17.081 1.00 1.36 N ATOM 354 CZ ARG A 27 15.795 49.206 17.657 1.00 1.93 C ATOM 355 NH1 ARG A 27 15.741 49.271 18.959 1.00 2.20 N ATOM 356 NH2 ARG A 27 15.336 50.189 16.934 1.00 2.83 N ATOM 0 H ARG A 27 19.522 44.943 16.614 1.00 0.32 H new ATOM 0 HA ARG A 27 18.214 42.634 17.656 1.00 0.33 H new ATOM 0 HB2 ARG A 27 16.546 44.279 18.429 1.00 0.38 H new ATOM 0 HB3 ARG A 27 18.160 44.922 18.660 1.00 0.38 H new ATOM 0 HG2 ARG A 27 17.902 46.034 16.331 1.00 0.41 H new ATOM 0 HG3 ARG A 27 16.206 45.601 16.416 1.00 0.41 H new ATOM 0 HD2 ARG A 27 16.094 46.780 18.682 1.00 0.65 H new ATOM 0 HD3 ARG A 27 17.737 47.330 18.422 1.00 0.65 H new ATOM 0 HE ARG A 27 16.370 48.111 16.064 1.00 1.36 H new ATOM 0 HH11 ARG A 27 16.104 48.503 19.523 1.00 2.20 H new ATOM 0 HH12 ARG A 27 15.336 50.090 19.412 1.00 2.20 H new ATOM 0 HH21 ARG A 27 15.382 50.139 15.916 1.00 2.83 H new ATOM 0 HH22 ARG A 27 14.930 51.009 17.386 1.00 2.83 H new ATOM 370 N ALA A 28 16.977 43.820 14.864 1.00 0.37 N ATOM 371 CA ALA A 28 16.011 43.490 13.782 1.00 0.41 C ATOM 372 C ALA A 28 16.191 42.028 13.383 1.00 0.39 C ATOM 373 O ALA A 28 15.241 41.331 13.086 1.00 0.42 O ATOM 374 CB ALA A 28 16.276 44.386 12.570 1.00 0.46 C ATOM 0 H ALA A 28 17.596 44.607 14.669 1.00 0.37 H new ATOM 0 HA ALA A 28 14.993 43.653 14.135 1.00 0.41 H new ATOM 0 HB1 ALA A 28 15.568 44.144 11.777 1.00 0.46 H new ATOM 0 HB2 ALA A 28 16.157 45.431 12.857 1.00 0.46 H new ATOM 0 HB3 ALA A 28 17.292 44.222 12.212 1.00 0.46 H new ATOM 380 N ASP A 29 17.405 41.557 13.371 1.00 0.35 N ATOM 381 CA ASP A 29 17.648 40.142 12.990 1.00 0.35 C ATOM 382 C ASP A 29 17.369 39.220 14.187 1.00 0.31 C ATOM 383 O ASP A 29 16.937 38.096 14.023 1.00 0.31 O ATOM 384 CB ASP A 29 19.100 39.977 12.543 1.00 0.38 C ATOM 385 CG ASP A 29 19.309 40.682 11.201 1.00 0.44 C ATOM 386 OD1 ASP A 29 18.396 41.361 10.761 1.00 1.26 O ATOM 387 OD2 ASP A 29 20.376 40.522 10.630 1.00 1.07 O ATOM 0 H ASP A 29 18.240 42.092 13.609 1.00 0.35 H new ATOM 0 HA ASP A 29 16.981 39.872 12.171 1.00 0.35 H new ATOM 0 HB2 ASP A 29 19.771 40.395 13.293 1.00 0.38 H new ATOM 0 HB3 ASP A 29 19.344 38.919 12.451 1.00 0.38 H new ATOM 392 N VAL A 30 17.617 39.678 15.388 1.00 0.30 N ATOM 393 CA VAL A 30 17.368 38.813 16.583 1.00 0.29 C ATOM 394 C VAL A 30 15.861 38.661 16.811 1.00 0.27 C ATOM 395 O VAL A 30 15.358 37.567 16.972 1.00 0.28 O ATOM 396 CB VAL A 30 17.999 39.460 17.821 1.00 0.32 C ATOM 397 CG1 VAL A 30 17.658 38.648 19.075 1.00 0.33 C ATOM 398 CG2 VAL A 30 19.518 39.515 17.652 1.00 0.35 C ATOM 0 H VAL A 30 17.979 40.609 15.593 1.00 0.30 H new ATOM 0 HA VAL A 30 17.810 37.832 16.411 1.00 0.29 H new ATOM 0 HB VAL A 30 17.603 40.470 17.931 1.00 0.32 H new ATOM 0 HG11 VAL A 30 18.112 39.118 19.947 1.00 0.33 H new ATOM 0 HG12 VAL A 30 16.576 38.614 19.203 1.00 0.33 H new ATOM 0 HG13 VAL A 30 18.043 37.634 18.968 1.00 0.33 H new ATOM 0 HG21 VAL A 30 19.966 39.975 18.533 1.00 0.35 H new ATOM 0 HG22 VAL A 30 19.908 38.504 17.533 1.00 0.35 H new ATOM 0 HG23 VAL A 30 19.765 40.105 16.769 1.00 0.35 H new ATOM 408 N ASP A 31 15.134 39.748 16.831 1.00 0.28 N ATOM 409 CA ASP A 31 13.662 39.649 17.056 1.00 0.30 C ATOM 410 C ASP A 31 13.070 38.644 16.078 1.00 0.29 C ATOM 411 O ASP A 31 12.265 37.810 16.443 1.00 0.30 O ATOM 412 CB ASP A 31 13.002 41.014 16.831 1.00 0.35 C ATOM 413 CG ASP A 31 12.857 41.764 18.159 1.00 1.28 C ATOM 414 OD1 ASP A 31 13.493 41.369 19.121 1.00 2.13 O ATOM 415 OD2 ASP A 31 12.106 42.725 18.190 1.00 2.01 O ATOM 0 H ASP A 31 15.493 40.694 16.702 1.00 0.28 H new ATOM 0 HA ASP A 31 13.480 39.326 18.081 1.00 0.30 H new ATOM 0 HB2 ASP A 31 13.600 41.604 16.137 1.00 0.35 H new ATOM 0 HB3 ASP A 31 12.022 40.880 16.373 1.00 0.35 H new ATOM 420 N HIS A 32 13.460 38.706 14.839 1.00 0.29 N ATOM 421 CA HIS A 32 12.910 37.740 13.858 1.00 0.32 C ATOM 422 C HIS A 32 13.259 36.326 14.303 1.00 0.30 C ATOM 423 O HIS A 32 12.410 35.470 14.385 1.00 0.31 O ATOM 424 CB HIS A 32 13.518 38.002 12.480 1.00 0.36 C ATOM 425 CG HIS A 32 12.958 37.014 11.493 1.00 0.44 C ATOM 426 ND1 HIS A 32 11.629 37.030 11.100 1.00 0.70 N ATOM 427 CD2 HIS A 32 13.538 35.970 10.816 1.00 0.63 C ATOM 428 CE1 HIS A 32 11.455 36.023 10.224 1.00 0.68 C ATOM 429 NE2 HIS A 32 12.587 35.345 10.015 1.00 0.64 N ATOM 0 H HIS A 32 14.130 39.378 14.466 1.00 0.29 H new ATOM 0 HA HIS A 32 11.828 37.854 13.801 1.00 0.32 H new ATOM 0 HB2 HIS A 32 13.295 39.020 12.159 1.00 0.36 H new ATOM 0 HB3 HIS A 32 14.603 37.912 12.526 1.00 0.36 H new ATOM 0 HD1 HIS A 32 10.914 37.685 11.417 1.00 0.70 H new ATOM 0 HD2 HIS A 32 14.575 35.678 10.893 1.00 0.63 H new ATOM 0 HE1 HIS A 32 10.514 35.791 9.748 1.00 0.68 H new ATOM 437 N ALA A 33 14.499 36.075 14.612 1.00 0.28 N ATOM 438 CA ALA A 33 14.881 34.709 15.056 1.00 0.29 C ATOM 439 C ALA A 33 14.008 34.297 16.241 1.00 0.27 C ATOM 440 O ALA A 33 13.483 33.206 16.285 1.00 0.28 O ATOM 441 CB ALA A 33 16.351 34.700 15.480 1.00 0.31 C ATOM 0 H ALA A 33 15.260 36.753 14.577 1.00 0.28 H new ATOM 0 HA ALA A 33 14.736 34.007 14.234 1.00 0.29 H new ATOM 0 HB1 ALA A 33 16.630 33.698 15.805 1.00 0.31 H new ATOM 0 HB2 ALA A 33 16.975 34.994 14.636 1.00 0.31 H new ATOM 0 HB3 ALA A 33 16.497 35.402 16.301 1.00 0.31 H new ATOM 447 N ILE A 34 13.848 35.158 17.205 1.00 0.27 N ATOM 448 CA ILE A 34 13.016 34.794 18.385 1.00 0.27 C ATOM 449 C ILE A 34 11.547 34.667 17.969 1.00 0.26 C ATOM 450 O ILE A 34 10.887 33.699 18.288 1.00 0.25 O ATOM 451 CB ILE A 34 13.138 35.889 19.447 1.00 0.29 C ATOM 452 CG1 ILE A 34 14.606 36.040 19.889 1.00 0.32 C ATOM 453 CG2 ILE A 34 12.261 35.530 20.648 1.00 0.31 C ATOM 454 CD1 ILE A 34 15.169 34.712 20.415 1.00 0.36 C ATOM 0 H ILE A 34 14.255 36.093 17.228 1.00 0.27 H new ATOM 0 HA ILE A 34 13.364 33.842 18.787 1.00 0.27 H new ATOM 0 HB ILE A 34 12.804 36.838 19.026 1.00 0.29 H new ATOM 0 HG12 ILE A 34 15.208 36.385 19.048 1.00 0.32 H new ATOM 0 HG13 ILE A 34 14.678 36.801 20.666 1.00 0.32 H new ATOM 0 HG21 ILE A 34 12.346 36.308 21.406 1.00 0.31 H new ATOM 0 HG22 ILE A 34 11.222 35.447 20.328 1.00 0.31 H new ATOM 0 HG23 ILE A 34 12.589 34.579 21.067 1.00 0.31 H new ATOM 0 HD11 ILE A 34 16.206 34.852 20.719 1.00 0.36 H new ATOM 0 HD12 ILE A 34 14.581 34.381 21.271 1.00 0.36 H new ATOM 0 HD13 ILE A 34 15.119 33.959 19.629 1.00 0.36 H new ATOM 466 N GLU A 35 11.028 35.633 17.263 1.00 0.29 N ATOM 467 CA GLU A 35 9.601 35.553 16.838 1.00 0.30 C ATOM 468 C GLU A 35 9.400 34.308 15.972 1.00 0.26 C ATOM 469 O GLU A 35 8.400 33.626 16.068 1.00 0.25 O ATOM 470 CB GLU A 35 9.233 36.807 16.034 1.00 0.35 C ATOM 471 CG GLU A 35 7.761 36.739 15.606 1.00 0.38 C ATOM 472 CD GLU A 35 7.402 37.992 14.807 1.00 0.92 C ATOM 473 OE1 GLU A 35 8.208 38.907 14.782 1.00 1.61 O ATOM 474 OE2 GLU A 35 6.324 38.017 14.236 1.00 1.57 O ATOM 0 H GLU A 35 11.527 36.471 16.963 1.00 0.29 H new ATOM 0 HA GLU A 35 8.961 35.491 17.718 1.00 0.30 H new ATOM 0 HB2 GLU A 35 9.405 37.699 16.636 1.00 0.35 H new ATOM 0 HB3 GLU A 35 9.873 36.887 15.155 1.00 0.35 H new ATOM 0 HG2 GLU A 35 7.588 35.848 15.002 1.00 0.38 H new ATOM 0 HG3 GLU A 35 7.120 36.659 16.484 1.00 0.38 H new ATOM 481 N LYS A 36 10.340 34.016 15.119 1.00 0.27 N ATOM 482 CA LYS A 36 10.207 32.829 14.231 1.00 0.28 C ATOM 483 C LYS A 36 10.091 31.566 15.098 1.00 0.25 C ATOM 484 O LYS A 36 9.313 30.681 14.812 1.00 0.27 O ATOM 485 CB LYS A 36 11.450 32.765 13.328 1.00 0.35 C ATOM 486 CG LYS A 36 11.180 31.981 12.034 1.00 0.81 C ATOM 487 CD LYS A 36 12.242 32.368 10.990 1.00 0.92 C ATOM 488 CE LYS A 36 12.734 31.122 10.256 1.00 1.62 C ATOM 489 NZ LYS A 36 11.576 30.252 9.915 1.00 2.23 N ATOM 0 H LYS A 36 11.200 34.552 14.998 1.00 0.27 H new ATOM 0 HA LYS A 36 9.315 32.901 13.609 1.00 0.28 H new ATOM 0 HB2 LYS A 36 11.770 33.777 13.079 1.00 0.35 H new ATOM 0 HB3 LYS A 36 12.270 32.296 13.872 1.00 0.35 H new ATOM 0 HG2 LYS A 36 11.214 30.909 12.228 1.00 0.81 H new ATOM 0 HG3 LYS A 36 10.182 32.205 11.658 1.00 0.81 H new ATOM 0 HD2 LYS A 36 11.821 33.077 10.277 1.00 0.92 H new ATOM 0 HD3 LYS A 36 13.079 32.866 11.479 1.00 0.92 H new ATOM 0 HE2 LYS A 36 13.266 31.409 9.349 1.00 1.62 H new ATOM 0 HE3 LYS A 36 13.441 30.575 10.880 1.00 1.62 H new ATOM 0 HZ1 LYS A 36 11.783 29.724 9.043 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 11.404 29.583 10.692 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 10.731 30.840 9.771 1.00 2.23 H new ATOM 503 N ALA A 37 10.845 31.480 16.166 1.00 0.23 N ATOM 504 CA ALA A 37 10.756 30.275 17.048 1.00 0.23 C ATOM 505 C ALA A 37 9.375 30.209 17.708 1.00 0.22 C ATOM 506 O ALA A 37 8.737 29.175 17.722 1.00 0.23 O ATOM 507 CB ALA A 37 11.822 30.352 18.142 1.00 0.25 C ATOM 0 H ALA A 37 11.515 32.188 16.464 1.00 0.23 H new ATOM 0 HA ALA A 37 10.915 29.385 16.439 1.00 0.23 H new ATOM 0 HB1 ALA A 37 11.752 29.472 18.781 1.00 0.25 H new ATOM 0 HB2 ALA A 37 12.811 30.391 17.685 1.00 0.25 H new ATOM 0 HB3 ALA A 37 11.664 31.249 18.741 1.00 0.25 H new ATOM 513 N PHE A 38 8.905 31.298 18.261 1.00 0.23 N ATOM 514 CA PHE A 38 7.565 31.268 18.916 1.00 0.24 C ATOM 515 C PHE A 38 6.503 30.877 17.890 1.00 0.24 C ATOM 516 O PHE A 38 5.613 30.099 18.173 1.00 0.25 O ATOM 517 CB PHE A 38 7.221 32.651 19.480 1.00 0.27 C ATOM 518 CG PHE A 38 7.903 32.861 20.812 1.00 0.29 C ATOM 519 CD1 PHE A 38 7.465 32.152 21.938 1.00 0.37 C ATOM 520 CD2 PHE A 38 8.960 33.773 20.928 1.00 0.39 C ATOM 521 CE1 PHE A 38 8.084 32.352 23.177 1.00 0.39 C ATOM 522 CE2 PHE A 38 9.577 33.974 22.170 1.00 0.42 C ATOM 523 CZ PHE A 38 9.139 33.264 23.293 1.00 0.37 C ATOM 0 H PHE A 38 9.386 32.197 18.287 1.00 0.23 H new ATOM 0 HA PHE A 38 7.588 30.540 19.727 1.00 0.24 H new ATOM 0 HB2 PHE A 38 7.533 33.425 18.779 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.141 32.744 19.598 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.649 31.450 21.850 1.00 0.37 H new ATOM 0 HD2 PHE A 38 9.299 34.321 20.061 1.00 0.39 H new ATOM 0 HE1 PHE A 38 7.747 31.802 24.044 1.00 0.39 H new ATOM 0 HE2 PHE A 38 10.391 34.678 22.260 1.00 0.42 H new ATOM 0 HZ PHE A 38 9.615 33.420 24.250 1.00 0.37 H new ATOM 533 N GLN A 39 6.583 31.408 16.701 1.00 0.23 N ATOM 534 CA GLN A 39 5.567 31.057 15.671 1.00 0.24 C ATOM 535 C GLN A 39 5.647 29.564 15.362 1.00 0.24 C ATOM 536 O GLN A 39 4.642 28.900 15.211 1.00 0.25 O ATOM 537 CB GLN A 39 5.816 31.862 14.398 1.00 0.26 C ATOM 538 CG GLN A 39 5.474 33.329 14.658 1.00 0.30 C ATOM 539 CD GLN A 39 5.643 34.132 13.369 1.00 1.14 C ATOM 540 OE1 GLN A 39 6.435 33.779 12.518 1.00 1.92 O ATOM 541 NE2 GLN A 39 4.921 35.203 13.187 1.00 1.90 N ATOM 0 H GLN A 39 7.303 32.065 16.400 1.00 0.23 H new ATOM 0 HA GLN A 39 4.574 31.295 16.052 1.00 0.24 H new ATOM 0 HB2 GLN A 39 6.858 31.768 14.091 1.00 0.26 H new ATOM 0 HB3 GLN A 39 5.207 31.473 13.582 1.00 0.26 H new ATOM 0 HG2 GLN A 39 4.450 33.415 15.020 1.00 0.30 H new ATOM 0 HG3 GLN A 39 6.122 33.731 15.436 1.00 0.30 H new ATOM 0 HE21 GLN A 39 4.257 35.498 13.903 1.00 1.90 H new ATOM 0 HE22 GLN A 39 5.021 35.746 12.329 1.00 1.90 H new ATOM 550 N LEU A 40 6.830 29.022 15.284 1.00 0.23 N ATOM 551 CA LEU A 40 6.947 27.567 15.004 1.00 0.23 C ATOM 552 C LEU A 40 6.238 26.794 16.111 1.00 0.23 C ATOM 553 O LEU A 40 5.572 25.813 15.858 1.00 0.24 O ATOM 554 CB LEU A 40 8.420 27.148 14.925 1.00 0.24 C ATOM 555 CG LEU A 40 9.064 27.693 13.640 1.00 0.25 C ATOM 556 CD1 LEU A 40 10.581 27.441 13.710 1.00 0.27 C ATOM 557 CD2 LEU A 40 8.435 27.007 12.403 1.00 0.26 C ATOM 0 H LEU A 40 7.713 29.519 15.401 1.00 0.23 H new ATOM 0 HA LEU A 40 6.483 27.346 14.043 1.00 0.23 H new ATOM 0 HB2 LEU A 40 8.958 27.522 15.796 1.00 0.24 H new ATOM 0 HB3 LEU A 40 8.497 26.061 14.945 1.00 0.24 H new ATOM 0 HG LEU A 40 8.885 28.764 13.548 1.00 0.25 H new ATOM 0 HD11 LEU A 40 11.055 27.822 12.805 1.00 0.27 H new ATOM 0 HD12 LEU A 40 10.995 27.952 14.579 1.00 0.27 H new ATOM 0 HD13 LEU A 40 10.768 26.371 13.795 1.00 0.27 H new ATOM 0 HD21 LEU A 40 8.896 27.398 11.496 1.00 0.26 H new ATOM 0 HD22 LEU A 40 8.601 25.931 12.460 1.00 0.26 H new ATOM 0 HD23 LEU A 40 7.364 27.208 12.381 1.00 0.26 H new ATOM 569 N TRP A 41 6.371 27.221 17.339 1.00 0.23 N ATOM 570 CA TRP A 41 5.690 26.492 18.445 1.00 0.23 C ATOM 571 C TRP A 41 4.180 26.745 18.380 1.00 0.23 C ATOM 572 O TRP A 41 3.387 25.829 18.448 1.00 0.24 O ATOM 573 CB TRP A 41 6.225 26.981 19.794 1.00 0.25 C ATOM 574 CG TRP A 41 7.607 26.453 20.008 1.00 0.26 C ATOM 575 CD1 TRP A 41 8.718 27.215 20.129 1.00 0.28 C ATOM 576 CD2 TRP A 41 8.045 25.067 20.123 1.00 0.27 C ATOM 577 NE1 TRP A 41 9.810 26.386 20.313 1.00 0.29 N ATOM 578 CE2 TRP A 41 9.447 25.054 20.315 1.00 0.29 C ATOM 579 CE3 TRP A 41 7.371 23.832 20.081 1.00 0.28 C ATOM 580 CZ2 TRP A 41 10.155 23.860 20.459 1.00 0.31 C ATOM 581 CZ3 TRP A 41 8.081 22.629 20.224 1.00 0.31 C ATOM 582 CH2 TRP A 41 9.471 22.643 20.412 1.00 0.32 C ATOM 0 H TRP A 41 6.917 28.035 17.621 1.00 0.23 H new ATOM 0 HA TRP A 41 5.886 25.425 18.340 1.00 0.23 H new ATOM 0 HB2 TRP A 41 6.233 28.071 19.820 1.00 0.25 H new ATOM 0 HB3 TRP A 41 5.569 26.648 20.599 1.00 0.25 H new ATOM 0 HD1 TRP A 41 8.748 28.294 20.089 1.00 0.28 H new ATOM 0 HE1 TRP A 41 10.767 26.718 20.433 1.00 0.29 H new ATOM 0 HE3 TRP A 41 6.301 23.810 19.938 1.00 0.28 H new ATOM 0 HZ2 TRP A 41 11.225 23.877 20.606 1.00 0.31 H new ATOM 0 HZ3 TRP A 41 7.554 21.687 20.189 1.00 0.31 H new ATOM 0 HH2 TRP A 41 10.012 21.714 20.520 1.00 0.32 H new ATOM 593 N SER A 42 3.777 27.980 18.243 1.00 0.23 N ATOM 594 CA SER A 42 2.318 28.288 18.170 1.00 0.24 C ATOM 595 C SER A 42 1.742 27.738 16.866 1.00 0.24 C ATOM 596 O SER A 42 0.600 27.327 16.803 1.00 0.29 O ATOM 597 CB SER A 42 2.107 29.801 18.219 1.00 0.26 C ATOM 598 OG SER A 42 0.714 30.076 18.303 1.00 0.33 O ATOM 0 H SER A 42 4.395 28.789 18.178 1.00 0.23 H new ATOM 0 HA SER A 42 1.812 27.824 19.016 1.00 0.24 H new ATOM 0 HB2 SER A 42 2.626 30.225 19.079 1.00 0.26 H new ATOM 0 HB3 SER A 42 2.529 30.268 17.329 1.00 0.26 H new ATOM 0 HG SER A 42 0.461 30.200 19.242 1.00 0.33 H new ATOM 604 N ASN A 43 2.520 27.739 15.820 1.00 0.24 N ATOM 605 CA ASN A 43 2.017 27.232 14.514 1.00 0.26 C ATOM 606 C ASN A 43 1.490 25.804 14.672 1.00 0.25 C ATOM 607 O ASN A 43 0.727 25.332 13.851 1.00 0.28 O ATOM 608 CB ASN A 43 3.154 27.239 13.489 1.00 0.29 C ATOM 609 CG ASN A 43 3.351 28.656 12.946 1.00 0.34 C ATOM 610 OD1 ASN A 43 2.583 29.548 13.246 1.00 1.04 O ATOM 611 ND2 ASN A 43 4.352 28.900 12.145 1.00 1.07 N ATOM 0 H ASN A 43 3.485 28.070 15.814 1.00 0.24 H new ATOM 0 HA ASN A 43 1.208 27.878 14.172 1.00 0.26 H new ATOM 0 HB2 ASN A 43 4.075 26.885 13.951 1.00 0.29 H new ATOM 0 HB3 ASN A 43 2.924 26.555 12.672 1.00 0.29 H new ATOM 0 HD21 ASN A 43 4.489 29.839 11.771 1.00 1.07 H new ATOM 0 HD22 ASN A 43 4.997 28.152 11.893 1.00 1.07 H new ATOM 618 N VAL A 44 1.892 25.112 15.711 1.00 0.25 N ATOM 619 CA VAL A 44 1.413 23.709 15.913 1.00 0.26 C ATOM 620 C VAL A 44 0.717 23.573 17.270 1.00 0.24 C ATOM 621 O VAL A 44 0.347 22.486 17.668 1.00 0.27 O ATOM 622 CB VAL A 44 2.602 22.744 15.848 1.00 0.31 C ATOM 623 CG1 VAL A 44 3.177 22.745 14.431 1.00 0.36 C ATOM 624 CG2 VAL A 44 3.693 23.178 16.836 1.00 0.40 C ATOM 0 H VAL A 44 2.531 25.458 16.427 1.00 0.25 H new ATOM 0 HA VAL A 44 0.700 23.465 15.125 1.00 0.26 H new ATOM 0 HB VAL A 44 2.261 21.743 16.112 1.00 0.31 H new ATOM 0 HG11 VAL A 44 4.023 22.060 14.381 1.00 0.36 H new ATOM 0 HG12 VAL A 44 2.409 22.425 13.727 1.00 0.36 H new ATOM 0 HG13 VAL A 44 3.509 23.751 14.174 1.00 0.36 H new ATOM 0 HG21 VAL A 44 4.532 22.484 16.780 1.00 0.40 H new ATOM 0 HG22 VAL A 44 4.035 24.182 16.583 1.00 0.40 H new ATOM 0 HG23 VAL A 44 3.289 23.177 17.848 1.00 0.40 H new ATOM 634 N THR A 45 0.531 24.661 17.980 1.00 0.22 N ATOM 635 CA THR A 45 -0.146 24.580 19.312 1.00 0.22 C ATOM 636 C THR A 45 -1.129 25.760 19.461 1.00 0.22 C ATOM 637 O THR A 45 -0.829 26.855 19.028 1.00 0.22 O ATOM 638 CB THR A 45 0.901 24.688 20.426 1.00 0.25 C ATOM 639 OG1 THR A 45 1.765 25.782 20.157 1.00 0.34 O ATOM 640 CG2 THR A 45 1.719 23.400 20.507 1.00 0.43 C ATOM 0 H THR A 45 0.818 25.598 17.695 1.00 0.22 H new ATOM 0 HA THR A 45 -0.678 23.631 19.383 1.00 0.22 H new ATOM 0 HB THR A 45 0.393 24.845 21.378 1.00 0.25 H new ATOM 0 HG1 THR A 45 2.441 25.511 19.501 1.00 0.34 H new ATOM 0 HG21 THR A 45 2.460 23.489 21.302 1.00 0.43 H new ATOM 0 HG22 THR A 45 1.057 22.561 20.720 1.00 0.43 H new ATOM 0 HG23 THR A 45 2.225 23.230 19.557 1.00 0.43 H new ATOM 648 N PRO A 46 -2.284 25.573 20.081 1.00 0.24 N ATOM 649 CA PRO A 46 -3.234 26.707 20.256 1.00 0.26 C ATOM 650 C PRO A 46 -2.678 27.796 21.180 1.00 0.25 C ATOM 651 O PRO A 46 -3.374 28.720 21.549 1.00 0.27 O ATOM 652 CB PRO A 46 -4.449 26.042 20.905 1.00 0.31 C ATOM 653 CG PRO A 46 -4.122 24.573 21.188 1.00 0.31 C ATOM 654 CD PRO A 46 -2.732 24.258 20.631 1.00 0.27 C ATOM 0 HA PRO A 46 -3.448 27.210 19.313 1.00 0.26 H new ATOM 0 HB2 PRO A 46 -4.709 26.555 21.831 1.00 0.31 H new ATOM 0 HB3 PRO A 46 -5.315 26.115 20.246 1.00 0.31 H new ATOM 0 HG2 PRO A 46 -4.151 24.380 22.260 1.00 0.31 H new ATOM 0 HG3 PRO A 46 -4.868 23.925 20.728 1.00 0.31 H new ATOM 0 HD2 PRO A 46 -2.059 23.895 21.408 1.00 0.27 H new ATOM 0 HD3 PRO A 46 -2.771 23.490 19.859 1.00 0.27 H new ATOM 662 N LEU A 47 -1.432 27.696 21.560 1.00 0.24 N ATOM 663 CA LEU A 47 -0.855 28.733 22.460 1.00 0.24 C ATOM 664 C LEU A 47 -0.543 29.990 21.644 1.00 0.24 C ATOM 665 O LEU A 47 -0.296 29.923 20.456 1.00 0.25 O ATOM 666 CB LEU A 47 0.441 28.220 23.109 1.00 0.25 C ATOM 667 CG LEU A 47 0.205 26.886 23.835 1.00 0.26 C ATOM 668 CD1 LEU A 47 1.557 26.224 24.108 1.00 0.31 C ATOM 669 CD2 LEU A 47 -0.504 27.117 25.176 1.00 0.32 C ATOM 0 H LEU A 47 -0.795 26.947 21.288 1.00 0.24 H new ATOM 0 HA LEU A 47 -1.577 28.962 23.244 1.00 0.24 H new ATOM 0 HB2 LEU A 47 1.208 28.091 22.345 1.00 0.25 H new ATOM 0 HB3 LEU A 47 0.816 28.961 23.815 1.00 0.25 H new ATOM 0 HG LEU A 47 -0.419 26.251 23.206 1.00 0.26 H new ATOM 0 HD11 LEU A 47 1.401 25.276 24.623 1.00 0.31 H new ATOM 0 HD12 LEU A 47 2.071 26.043 23.164 1.00 0.31 H new ATOM 0 HD13 LEU A 47 2.164 26.880 24.732 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -0.662 26.160 25.674 1.00 0.32 H new ATOM 0 HD22 LEU A 47 0.112 27.758 25.807 1.00 0.32 H new ATOM 0 HD23 LEU A 47 -1.466 27.598 25.001 1.00 0.32 H new ATOM 681 N THR A 48 -0.554 31.133 22.280 1.00 0.25 N ATOM 682 CA THR A 48 -0.259 32.409 21.562 1.00 0.26 C ATOM 683 C THR A 48 0.799 33.192 22.341 1.00 0.25 C ATOM 684 O THR A 48 0.775 33.228 23.556 1.00 0.25 O ATOM 685 CB THR A 48 -1.540 33.242 21.469 1.00 0.29 C ATOM 686 OG1 THR A 48 -2.009 33.530 22.780 1.00 0.33 O ATOM 687 CG2 THR A 48 -2.608 32.457 20.707 1.00 0.34 C ATOM 0 H THR A 48 -0.756 31.238 23.274 1.00 0.25 H new ATOM 0 HA THR A 48 0.110 32.191 20.560 1.00 0.26 H new ATOM 0 HB THR A 48 -1.331 34.173 20.942 1.00 0.29 H new ATOM 0 HG1 THR A 48 -1.744 34.440 23.030 1.00 0.33 H new ATOM 0 HG21 THR A 48 -3.519 33.051 20.642 1.00 0.34 H new ATOM 0 HG22 THR A 48 -2.248 32.233 19.703 1.00 0.34 H new ATOM 0 HG23 THR A 48 -2.819 31.526 21.232 1.00 0.34 H new ATOM 695 N PHE A 49 1.723 33.818 21.652 1.00 0.26 N ATOM 696 CA PHE A 49 2.786 34.601 22.351 1.00 0.25 C ATOM 697 C PHE A 49 2.710 36.069 21.928 1.00 0.28 C ATOM 698 O PHE A 49 2.688 36.385 20.755 1.00 0.32 O ATOM 699 CB PHE A 49 4.163 34.046 21.987 1.00 0.27 C ATOM 700 CG PHE A 49 4.290 32.633 22.502 1.00 0.25 C ATOM 701 CD1 PHE A 49 4.757 32.400 23.802 1.00 0.25 C ATOM 702 CD2 PHE A 49 3.938 31.556 21.682 1.00 0.28 C ATOM 703 CE1 PHE A 49 4.873 31.090 24.279 1.00 0.27 C ATOM 704 CE2 PHE A 49 4.053 30.246 22.159 1.00 0.30 C ATOM 705 CZ PHE A 49 4.521 30.012 23.457 1.00 0.29 C ATOM 0 H PHE A 49 1.785 33.819 20.634 1.00 0.26 H new ATOM 0 HA PHE A 49 2.633 34.522 23.427 1.00 0.25 H new ATOM 0 HB2 PHE A 49 4.299 34.064 20.906 1.00 0.27 H new ATOM 0 HB3 PHE A 49 4.944 34.672 22.417 1.00 0.27 H new ATOM 0 HD1 PHE A 49 5.027 33.232 24.436 1.00 0.25 H new ATOM 0 HD2 PHE A 49 3.577 31.736 20.680 1.00 0.28 H new ATOM 0 HE1 PHE A 49 5.234 30.910 25.281 1.00 0.27 H new ATOM 0 HE2 PHE A 49 3.781 29.415 21.525 1.00 0.30 H new ATOM 0 HZ PHE A 49 4.611 29.000 23.825 1.00 0.29 H new ATOM 715 N THR A 50 2.676 36.961 22.885 1.00 0.28 N ATOM 716 CA THR A 50 2.608 38.418 22.570 1.00 0.32 C ATOM 717 C THR A 50 3.829 39.133 23.157 1.00 0.28 C ATOM 718 O THR A 50 4.155 38.986 24.322 1.00 0.27 O ATOM 719 CB THR A 50 1.336 39.009 23.183 1.00 0.37 C ATOM 720 OG1 THR A 50 0.200 38.351 22.641 1.00 0.42 O ATOM 721 CG2 THR A 50 1.262 40.504 22.870 1.00 0.42 C ATOM 0 H THR A 50 2.693 36.739 23.880 1.00 0.28 H new ATOM 0 HA THR A 50 2.595 38.552 21.488 1.00 0.32 H new ATOM 0 HB THR A 50 1.355 38.869 24.264 1.00 0.37 H new ATOM 0 HG1 THR A 50 -0.615 38.728 23.034 1.00 0.42 H new ATOM 0 HG21 THR A 50 0.356 40.923 23.307 1.00 0.42 H new ATOM 0 HG22 THR A 50 2.133 41.007 23.289 1.00 0.42 H new ATOM 0 HG23 THR A 50 1.244 40.649 21.790 1.00 0.42 H new ATOM 729 N LYS A 51 4.500 39.917 22.359 1.00 0.31 N ATOM 730 CA LYS A 51 5.686 40.659 22.867 1.00 0.32 C ATOM 731 C LYS A 51 5.209 41.887 23.642 1.00 0.32 C ATOM 732 O LYS A 51 4.238 42.516 23.270 1.00 0.36 O ATOM 733 CB LYS A 51 6.558 41.100 21.689 1.00 0.38 C ATOM 734 CG LYS A 51 7.851 41.728 22.215 1.00 0.45 C ATOM 735 CD LYS A 51 8.853 41.870 21.068 1.00 0.82 C ATOM 736 CE LYS A 51 10.150 42.488 21.594 1.00 1.26 C ATOM 737 NZ LYS A 51 10.316 43.855 21.026 1.00 2.00 N ATOM 0 H LYS A 51 4.277 40.075 21.376 1.00 0.31 H new ATOM 0 HA LYS A 51 6.272 40.015 23.523 1.00 0.32 H new ATOM 0 HB2 LYS A 51 6.789 40.245 21.054 1.00 0.38 H new ATOM 0 HB3 LYS A 51 6.018 41.818 21.072 1.00 0.38 H new ATOM 0 HG2 LYS A 51 7.642 42.704 22.652 1.00 0.45 H new ATOM 0 HG3 LYS A 51 8.273 41.108 23.006 1.00 0.45 H new ATOM 0 HD2 LYS A 51 9.056 40.895 20.626 1.00 0.82 H new ATOM 0 HD3 LYS A 51 8.433 42.496 20.280 1.00 0.82 H new ATOM 0 HE2 LYS A 51 10.127 42.536 22.683 1.00 1.26 H new ATOM 0 HE3 LYS A 51 11.000 41.863 21.320 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 11.198 44.275 21.384 1.00 2.00 H new ATOM 0 HZ2 LYS A 51 10.356 43.797 19.988 1.00 2.00 H new ATOM 0 HZ3 LYS A 51 9.510 44.449 21.309 1.00 2.00 H new ATOM 751 N VAL A 52 5.886 42.236 24.704 1.00 0.33 N ATOM 752 CA VAL A 52 5.477 43.437 25.497 1.00 0.37 C ATOM 753 C VAL A 52 6.678 44.364 25.647 1.00 0.42 C ATOM 754 O VAL A 52 7.769 43.926 25.918 1.00 0.44 O ATOM 755 CB VAL A 52 4.994 43.008 26.885 1.00 0.37 C ATOM 756 CG1 VAL A 52 3.723 42.170 26.743 1.00 0.41 C ATOM 757 CG2 VAL A 52 6.086 42.185 27.579 1.00 0.38 C ATOM 0 H VAL A 52 6.705 41.742 25.058 1.00 0.33 H new ATOM 0 HA VAL A 52 4.667 43.953 24.981 1.00 0.37 H new ATOM 0 HB VAL A 52 4.778 43.892 27.486 1.00 0.37 H new ATOM 0 HG11 VAL A 52 3.377 41.863 27.730 1.00 0.41 H new ATOM 0 HG12 VAL A 52 2.949 42.763 26.255 1.00 0.41 H new ATOM 0 HG13 VAL A 52 3.935 41.286 26.142 1.00 0.41 H new ATOM 0 HG21 VAL A 52 5.740 41.881 28.567 1.00 0.38 H new ATOM 0 HG22 VAL A 52 6.308 41.299 26.984 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.988 42.789 27.681 1.00 0.38 H new ATOM 767 N SER A 53 6.488 45.640 25.469 1.00 0.48 N ATOM 768 CA SER A 53 7.629 46.589 25.610 1.00 0.56 C ATOM 769 C SER A 53 7.630 47.164 27.028 1.00 0.59 C ATOM 770 O SER A 53 8.466 47.970 27.382 1.00 0.67 O ATOM 771 CB SER A 53 7.476 47.724 24.596 1.00 0.64 C ATOM 772 OG SER A 53 8.697 48.447 24.514 1.00 0.79 O ATOM 0 H SER A 53 5.593 46.068 25.232 1.00 0.48 H new ATOM 0 HA SER A 53 8.568 46.067 25.426 1.00 0.56 H new ATOM 0 HB2 SER A 53 7.212 47.321 23.618 1.00 0.64 H new ATOM 0 HB3 SER A 53 6.666 48.389 24.896 1.00 0.64 H new ATOM 0 HG SER A 53 9.055 48.588 25.415 1.00 0.79 H new ATOM 778 N GLU A 54 6.689 46.755 27.837 1.00 0.55 N ATOM 779 CA GLU A 54 6.609 47.276 29.232 1.00 0.61 C ATOM 780 C GLU A 54 5.967 46.228 30.144 1.00 0.58 C ATOM 781 O GLU A 54 5.298 45.320 29.691 1.00 0.55 O ATOM 782 CB GLU A 54 5.749 48.545 29.260 1.00 0.70 C ATOM 783 CG GLU A 54 6.609 49.773 28.954 1.00 1.49 C ATOM 784 CD GLU A 54 5.745 51.032 29.045 1.00 1.72 C ATOM 785 OE1 GLU A 54 4.550 50.923 28.825 1.00 2.33 O ATOM 786 OE2 GLU A 54 6.294 52.085 29.322 1.00 1.95 O ATOM 0 H GLU A 54 5.968 46.078 27.589 1.00 0.55 H new ATOM 0 HA GLU A 54 7.617 47.501 29.581 1.00 0.61 H new ATOM 0 HB2 GLU A 54 4.945 48.464 28.529 1.00 0.70 H new ATOM 0 HB3 GLU A 54 5.281 48.654 30.238 1.00 0.70 H new ATOM 0 HG2 GLU A 54 7.438 49.835 29.659 1.00 1.49 H new ATOM 0 HG3 GLU A 54 7.044 49.688 27.958 1.00 1.49 H new ATOM 793 N GLY A 55 6.157 46.358 31.429 1.00 0.62 N ATOM 794 CA GLY A 55 5.551 45.383 32.380 1.00 0.64 C ATOM 795 C GLY A 55 6.399 44.112 32.433 1.00 0.57 C ATOM 796 O GLY A 55 7.375 43.973 31.724 1.00 0.52 O ATOM 0 H GLY A 55 6.707 47.100 31.862 1.00 0.62 H new ATOM 0 HA2 GLY A 55 5.482 45.826 33.374 1.00 0.64 H new ATOM 0 HA3 GLY A 55 4.535 45.140 32.068 1.00 0.64 H new ATOM 800 N GLN A 56 6.025 43.180 33.266 1.00 0.63 N ATOM 801 CA GLN A 56 6.798 41.912 33.365 1.00 0.60 C ATOM 802 C GLN A 56 6.385 40.976 32.234 1.00 0.45 C ATOM 803 O GLN A 56 5.410 41.207 31.547 1.00 0.58 O ATOM 804 CB GLN A 56 6.523 41.230 34.705 1.00 0.77 C ATOM 805 CG GLN A 56 7.238 41.986 35.825 1.00 1.40 C ATOM 806 CD GLN A 56 6.883 41.349 37.170 1.00 1.68 C ATOM 807 OE1 GLN A 56 5.791 40.848 37.348 1.00 1.85 O ATOM 808 NE2 GLN A 56 7.767 41.343 38.129 1.00 2.49 N ATOM 0 H GLN A 56 5.215 43.243 33.883 1.00 0.63 H new ATOM 0 HA GLN A 56 7.861 42.140 33.290 1.00 0.60 H new ATOM 0 HB2 GLN A 56 5.450 41.205 34.898 1.00 0.77 H new ATOM 0 HB3 GLN A 56 6.866 40.196 34.675 1.00 0.77 H new ATOM 0 HG2 GLN A 56 8.316 41.957 35.669 1.00 1.40 H new ATOM 0 HG3 GLN A 56 6.943 43.035 35.817 1.00 1.40 H new ATOM 0 HE21 GLN A 56 8.684 41.764 37.980 1.00 2.49 H new ATOM 0 HE22 GLN A 56 7.541 40.918 39.028 1.00 2.49 H new ATOM 817 N ALA A 57 7.129 39.925 32.039 1.00 0.35 N ATOM 818 CA ALA A 57 6.803 38.961 30.955 1.00 0.28 C ATOM 819 C ALA A 57 6.951 37.537 31.490 1.00 0.29 C ATOM 820 O ALA A 57 7.905 37.217 32.171 1.00 0.30 O ATOM 821 CB ALA A 57 7.777 39.170 29.798 1.00 0.33 C ATOM 0 H ALA A 57 7.956 39.691 32.589 1.00 0.35 H new ATOM 0 HA ALA A 57 5.781 39.118 30.611 1.00 0.28 H new ATOM 0 HB1 ALA A 57 7.547 38.468 28.997 1.00 0.33 H new ATOM 0 HB2 ALA A 57 7.684 40.190 29.424 1.00 0.33 H new ATOM 0 HB3 ALA A 57 8.796 39.002 30.146 1.00 0.33 H new ATOM 827 N ASP A 58 6.017 36.677 31.190 1.00 0.31 N ATOM 828 CA ASP A 58 6.117 35.279 31.687 1.00 0.34 C ATOM 829 C ASP A 58 7.500 34.729 31.344 1.00 0.29 C ATOM 830 O ASP A 58 8.043 33.909 32.057 1.00 0.33 O ATOM 831 CB ASP A 58 5.041 34.418 31.023 1.00 0.39 C ATOM 832 CG ASP A 58 3.665 34.820 31.557 1.00 0.47 C ATOM 833 OD1 ASP A 58 3.612 35.371 32.645 1.00 1.10 O ATOM 834 OD2 ASP A 58 2.688 34.572 30.870 1.00 1.23 O ATOM 0 H ASP A 58 5.193 36.882 30.625 1.00 0.31 H new ATOM 0 HA ASP A 58 5.970 35.260 32.767 1.00 0.34 H new ATOM 0 HB2 ASP A 58 5.074 34.546 29.941 1.00 0.39 H new ATOM 0 HB3 ASP A 58 5.228 33.363 31.226 1.00 0.39 H new ATOM 839 N ILE A 59 8.073 35.183 30.257 1.00 0.24 N ATOM 840 CA ILE A 59 9.428 34.701 29.859 1.00 0.23 C ATOM 841 C ILE A 59 10.332 35.913 29.618 1.00 0.22 C ATOM 842 O ILE A 59 10.155 36.653 28.669 1.00 0.23 O ATOM 843 CB ILE A 59 9.314 33.869 28.571 1.00 0.24 C ATOM 844 CG1 ILE A 59 8.318 32.718 28.809 1.00 0.26 C ATOM 845 CG2 ILE A 59 10.697 33.294 28.193 1.00 0.27 C ATOM 846 CD1 ILE A 59 7.932 32.061 27.478 1.00 0.31 C ATOM 0 H ILE A 59 7.658 35.869 29.627 1.00 0.24 H new ATOM 0 HA ILE A 59 9.852 34.080 30.648 1.00 0.23 H new ATOM 0 HB ILE A 59 8.962 34.500 27.755 1.00 0.24 H new ATOM 0 HG12 ILE A 59 8.762 31.976 29.473 1.00 0.26 H new ATOM 0 HG13 ILE A 59 7.426 33.098 29.307 1.00 0.26 H new ATOM 0 HG21 ILE A 59 10.609 32.706 27.280 1.00 0.27 H new ATOM 0 HG22 ILE A 59 11.399 34.112 28.032 1.00 0.27 H new ATOM 0 HG23 ILE A 59 11.060 32.658 29.001 1.00 0.27 H new ATOM 0 HD11 ILE A 59 7.228 31.250 27.663 1.00 0.31 H new ATOM 0 HD12 ILE A 59 7.468 32.802 26.827 1.00 0.31 H new ATOM 0 HD13 ILE A 59 8.825 31.663 26.996 1.00 0.31 H new ATOM 858 N MET A 60 11.310 36.109 30.461 1.00 0.22 N ATOM 859 CA MET A 60 12.240 37.258 30.275 1.00 0.24 C ATOM 860 C MET A 60 13.498 36.750 29.573 1.00 0.22 C ATOM 861 O MET A 60 14.129 35.821 30.035 1.00 0.25 O ATOM 862 CB MET A 60 12.658 37.828 31.633 1.00 0.29 C ATOM 863 CG MET A 60 11.427 38.200 32.467 1.00 0.41 C ATOM 864 SD MET A 60 10.759 39.790 31.910 1.00 1.20 S ATOM 865 CE MET A 60 12.147 40.836 32.427 1.00 0.69 C ATOM 0 H MET A 60 11.505 35.521 31.272 1.00 0.22 H new ATOM 0 HA MET A 60 11.741 38.031 29.691 1.00 0.24 H new ATOM 0 HB2 MET A 60 13.260 37.095 32.171 1.00 0.29 H new ATOM 0 HB3 MET A 60 13.284 38.708 31.486 1.00 0.29 H new ATOM 0 HG2 MET A 60 10.667 37.424 32.375 1.00 0.41 H new ATOM 0 HG3 MET A 60 11.696 38.259 33.522 1.00 0.41 H new ATOM 0 HE1 MET A 60 11.773 41.814 32.729 1.00 0.69 H new ATOM 0 HE2 MET A 60 12.661 40.369 33.267 1.00 0.69 H new ATOM 0 HE3 MET A 60 12.842 40.955 31.596 1.00 0.69 H new ATOM 875 N ILE A 61 13.879 37.356 28.482 1.00 0.22 N ATOM 876 CA ILE A 61 15.113 36.912 27.771 1.00 0.23 C ATOM 877 C ILE A 61 16.187 37.983 27.934 1.00 0.22 C ATOM 878 O ILE A 61 15.950 39.153 27.703 1.00 0.24 O ATOM 879 CB ILE A 61 14.819 36.696 26.286 1.00 0.26 C ATOM 880 CG1 ILE A 61 13.781 35.570 26.150 1.00 0.29 C ATOM 881 CG2 ILE A 61 16.129 36.302 25.591 1.00 0.29 C ATOM 882 CD1 ILE A 61 13.072 35.643 24.790 1.00 0.34 C ATOM 0 H ILE A 61 13.389 38.140 28.051 1.00 0.22 H new ATOM 0 HA ILE A 61 15.459 35.970 28.196 1.00 0.23 H new ATOM 0 HB ILE A 61 14.423 37.602 25.827 1.00 0.26 H new ATOM 0 HG12 ILE A 61 14.271 34.602 26.258 1.00 0.29 H new ATOM 0 HG13 ILE A 61 13.047 35.647 26.952 1.00 0.29 H new ATOM 0 HG21 ILE A 61 15.944 36.142 24.529 1.00 0.29 H new ATOM 0 HG22 ILE A 61 16.861 37.100 25.716 1.00 0.29 H new ATOM 0 HG23 ILE A 61 16.514 35.384 26.034 1.00 0.29 H new ATOM 0 HD11 ILE A 61 12.342 34.837 24.716 1.00 0.34 H new ATOM 0 HD12 ILE A 61 12.563 36.602 24.696 1.00 0.34 H new ATOM 0 HD13 ILE A 61 13.806 35.542 23.991 1.00 0.34 H new ATOM 894 N SER A 62 17.367 37.597 28.337 1.00 0.21 N ATOM 895 CA SER A 62 18.446 38.601 28.521 1.00 0.22 C ATOM 896 C SER A 62 19.796 37.960 28.211 1.00 0.20 C ATOM 897 O SER A 62 19.929 36.751 28.138 1.00 0.22 O ATOM 898 CB SER A 62 18.439 39.111 29.962 1.00 0.25 C ATOM 899 OG SER A 62 19.055 38.148 30.806 1.00 0.26 O ATOM 0 H SER A 62 17.627 36.633 28.545 1.00 0.21 H new ATOM 0 HA SER A 62 18.277 39.439 27.844 1.00 0.22 H new ATOM 0 HB2 SER A 62 18.971 40.060 30.026 1.00 0.25 H new ATOM 0 HB3 SER A 62 17.416 39.296 30.289 1.00 0.25 H new ATOM 0 HG SER A 62 19.053 38.474 31.730 1.00 0.26 H new ATOM 905 N PHE A 63 20.791 38.775 28.013 1.00 0.19 N ATOM 906 CA PHE A 63 22.148 38.264 27.684 1.00 0.20 C ATOM 907 C PHE A 63 23.116 38.602 28.823 1.00 0.22 C ATOM 908 O PHE A 63 23.137 39.713 29.315 1.00 0.26 O ATOM 909 CB PHE A 63 22.590 38.942 26.388 1.00 0.22 C ATOM 910 CG PHE A 63 21.789 38.381 25.238 1.00 0.22 C ATOM 911 CD1 PHE A 63 20.545 38.935 24.916 1.00 0.23 C ATOM 912 CD2 PHE A 63 22.291 37.307 24.493 1.00 0.24 C ATOM 913 CE1 PHE A 63 19.801 38.413 23.851 1.00 0.26 C ATOM 914 CE2 PHE A 63 21.547 36.785 23.429 1.00 0.26 C ATOM 915 CZ PHE A 63 20.302 37.337 23.108 1.00 0.27 C ATOM 0 H PHE A 63 20.720 39.791 28.066 1.00 0.19 H new ATOM 0 HA PHE A 63 22.139 37.181 27.559 1.00 0.20 H new ATOM 0 HB2 PHE A 63 22.443 40.020 26.458 1.00 0.22 H new ATOM 0 HB3 PHE A 63 23.654 38.776 26.221 1.00 0.22 H new ATOM 0 HD1 PHE A 63 20.159 39.765 25.489 1.00 0.23 H new ATOM 0 HD2 PHE A 63 23.253 36.881 24.740 1.00 0.24 H new ATOM 0 HE1 PHE A 63 18.841 38.840 23.603 1.00 0.26 H new ATOM 0 HE2 PHE A 63 21.934 35.956 22.855 1.00 0.26 H new ATOM 0 HZ PHE A 63 19.728 36.933 22.287 1.00 0.27 H new ATOM 925 N VAL A 64 23.908 37.645 29.254 1.00 0.21 N ATOM 926 CA VAL A 64 24.868 37.903 30.375 1.00 0.25 C ATOM 927 C VAL A 64 26.268 37.403 29.993 1.00 0.23 C ATOM 928 O VAL A 64 26.424 36.632 29.066 1.00 0.23 O ATOM 929 CB VAL A 64 24.404 37.162 31.627 1.00 0.30 C ATOM 930 CG1 VAL A 64 22.998 37.635 32.023 1.00 0.33 C ATOM 931 CG2 VAL A 64 24.425 35.652 31.354 1.00 0.30 C ATOM 0 H VAL A 64 23.930 36.697 28.877 1.00 0.21 H new ATOM 0 HA VAL A 64 24.903 38.975 30.568 1.00 0.25 H new ATOM 0 HB VAL A 64 25.076 37.376 32.458 1.00 0.30 H new ATOM 0 HG11 VAL A 64 22.673 37.102 32.917 1.00 0.33 H new ATOM 0 HG12 VAL A 64 23.018 38.706 32.226 1.00 0.33 H new ATOM 0 HG13 VAL A 64 22.303 37.433 31.208 1.00 0.33 H new ATOM 0 HG21 VAL A 64 24.095 35.117 32.244 1.00 0.30 H new ATOM 0 HG22 VAL A 64 23.757 35.423 30.524 1.00 0.30 H new ATOM 0 HG23 VAL A 64 25.439 35.342 31.100 1.00 0.30 H new ATOM 941 N ARG A 65 27.285 37.837 30.707 1.00 0.26 N ATOM 942 CA ARG A 65 28.683 37.388 30.397 1.00 0.27 C ATOM 943 C ARG A 65 29.356 36.824 31.651 1.00 0.30 C ATOM 944 O ARG A 65 29.081 37.236 32.760 1.00 0.34 O ATOM 945 CB ARG A 65 29.521 38.570 29.894 1.00 0.31 C ATOM 946 CG ARG A 65 29.169 38.878 28.436 1.00 0.32 C ATOM 947 CD ARG A 65 30.161 39.884 27.840 1.00 0.44 C ATOM 948 NE ARG A 65 29.555 41.243 27.823 1.00 1.44 N ATOM 949 CZ ARG A 65 30.315 42.284 27.623 1.00 2.05 C ATOM 950 NH1 ARG A 65 31.603 42.127 27.478 1.00 2.15 N ATOM 951 NH2 ARG A 65 29.792 43.477 27.568 1.00 3.14 N ATOM 0 H ARG A 65 27.206 38.484 31.492 1.00 0.26 H new ATOM 0 HA ARG A 65 28.623 36.616 29.629 1.00 0.27 H new ATOM 0 HB2 ARG A 65 29.337 39.447 30.514 1.00 0.31 H new ATOM 0 HB3 ARG A 65 30.582 38.336 29.979 1.00 0.31 H new ATOM 0 HG2 ARG A 65 29.181 37.958 27.852 1.00 0.32 H new ATOM 0 HG3 ARG A 65 28.157 39.279 28.378 1.00 0.32 H new ATOM 0 HD2 ARG A 65 31.080 39.893 28.427 1.00 0.44 H new ATOM 0 HD3 ARG A 65 30.432 39.584 26.828 1.00 0.44 H new ATOM 0 HE ARG A 65 28.552 41.360 27.967 1.00 1.44 H new ATOM 0 HH11 ARG A 65 32.011 41.193 27.521 1.00 2.15 H new ATOM 0 HH12 ARG A 65 32.201 42.938 27.321 1.00 2.15 H new ATOM 0 HH21 ARG A 65 28.786 43.598 27.682 1.00 3.14 H new ATOM 0 HH22 ARG A 65 30.389 44.289 27.411 1.00 3.14 H new ATOM 965 N GLY A 66 30.256 35.890 31.466 1.00 0.35 N ATOM 966 CA GLY A 66 30.983 35.288 32.621 1.00 0.41 C ATOM 967 C GLY A 66 30.014 35.020 33.770 1.00 0.37 C ATOM 968 O GLY A 66 28.857 34.713 33.562 1.00 0.34 O ATOM 0 H GLY A 66 30.519 35.517 30.554 1.00 0.35 H new ATOM 0 HA2 GLY A 66 31.462 34.358 32.314 1.00 0.41 H new ATOM 0 HA3 GLY A 66 31.775 35.960 32.952 1.00 0.41 H new ATOM 972 N ASP A 67 30.477 35.140 34.984 1.00 0.41 N ATOM 973 CA ASP A 67 29.583 34.901 36.147 1.00 0.41 C ATOM 974 C ASP A 67 28.564 36.032 36.234 1.00 0.43 C ATOM 975 O ASP A 67 28.910 37.195 36.166 1.00 0.50 O ATOM 976 CB ASP A 67 30.401 34.854 37.436 1.00 0.48 C ATOM 977 CG ASP A 67 29.467 34.567 38.614 1.00 0.51 C ATOM 978 OD1 ASP A 67 28.898 35.512 39.135 1.00 1.18 O ATOM 979 OD2 ASP A 67 29.332 33.408 38.968 1.00 1.22 O ATOM 0 H ASP A 67 31.437 35.393 35.219 1.00 0.41 H new ATOM 0 HA ASP A 67 29.070 33.948 36.017 1.00 0.41 H new ATOM 0 HB2 ASP A 67 31.167 34.081 37.367 1.00 0.48 H new ATOM 0 HB3 ASP A 67 30.917 35.802 37.588 1.00 0.48 H new ATOM 984 N HIS A 68 27.311 35.696 36.370 1.00 0.43 N ATOM 985 CA HIS A 68 26.253 36.743 36.451 1.00 0.49 C ATOM 986 C HIS A 68 25.318 36.441 37.616 1.00 0.53 C ATOM 987 O HIS A 68 24.123 36.303 37.449 1.00 0.55 O ATOM 988 CB HIS A 68 25.477 36.759 35.142 1.00 0.52 C ATOM 989 CG HIS A 68 25.000 35.369 34.825 1.00 0.52 C ATOM 990 ND1 HIS A 68 25.879 34.348 34.503 1.00 0.52 N ATOM 991 CD2 HIS A 68 23.746 34.814 34.779 1.00 0.61 C ATOM 992 CE1 HIS A 68 25.151 33.241 34.282 1.00 0.60 C ATOM 993 NE2 HIS A 68 23.843 33.468 34.436 1.00 0.65 N ATOM 0 H HIS A 68 26.972 34.736 36.429 1.00 0.43 H new ATOM 0 HA HIS A 68 26.707 37.720 36.616 1.00 0.49 H new ATOM 0 HB2 HIS A 68 24.628 37.438 35.219 1.00 0.52 H new ATOM 0 HB3 HIS A 68 26.110 37.130 34.336 1.00 0.52 H new ATOM 0 HD1 HIS A 68 26.895 34.423 34.444 1.00 0.52 H new ATOM 0 HD2 HIS A 68 22.824 35.341 34.978 1.00 0.61 H new ATOM 0 HE1 HIS A 68 25.572 32.284 34.013 1.00 0.60 H new ATOM 1001 N ARG A 69 25.865 36.337 38.796 1.00 0.61 N ATOM 1002 CA ARG A 69 25.036 36.049 40.000 1.00 0.68 C ATOM 1003 C ARG A 69 24.281 34.730 39.810 1.00 0.63 C ATOM 1004 O ARG A 69 23.086 34.657 40.013 1.00 0.69 O ATOM 1005 CB ARG A 69 24.038 37.189 40.237 1.00 0.77 C ATOM 1006 CG ARG A 69 24.791 38.517 40.351 1.00 0.88 C ATOM 1007 CD ARG A 69 23.961 39.499 41.179 1.00 1.16 C ATOM 1008 NE ARG A 69 24.477 40.884 40.981 1.00 1.75 N ATOM 1009 CZ ARG A 69 23.770 41.904 41.384 1.00 2.34 C ATOM 1010 NH1 ARG A 69 22.623 41.707 41.976 1.00 2.69 N ATOM 1011 NH2 ARG A 69 24.209 43.120 41.203 1.00 3.16 N ATOM 0 H ARG A 69 26.863 36.441 38.979 1.00 0.61 H new ATOM 0 HA ARG A 69 25.691 35.965 40.867 1.00 0.68 H new ATOM 0 HB2 ARG A 69 23.322 37.235 39.417 1.00 0.77 H new ATOM 0 HB3 ARG A 69 23.468 37.003 41.147 1.00 0.77 H new ATOM 0 HG2 ARG A 69 25.762 38.358 40.820 1.00 0.88 H new ATOM 0 HG3 ARG A 69 24.979 38.928 39.359 1.00 0.88 H new ATOM 0 HD2 ARG A 69 22.913 39.445 40.883 1.00 1.16 H new ATOM 0 HD3 ARG A 69 24.008 39.230 42.234 1.00 1.16 H new ATOM 0 HE ARG A 69 25.380 41.034 40.532 1.00 1.75 H new ATOM 0 HH11 ARG A 69 22.281 40.757 42.123 1.00 2.69 H new ATOM 0 HH12 ARG A 69 22.069 42.503 42.292 1.00 2.69 H new ATOM 0 HH21 ARG A 69 25.107 43.275 40.745 1.00 3.16 H new ATOM 0 HH22 ARG A 69 23.654 43.915 41.519 1.00 3.16 H new ATOM 1025 N ASP A 70 24.971 33.688 39.422 1.00 0.59 N ATOM 1026 CA ASP A 70 24.295 32.371 39.222 1.00 0.63 C ATOM 1027 C ASP A 70 25.207 31.238 39.699 1.00 0.69 C ATOM 1028 O ASP A 70 26.396 31.414 39.876 1.00 0.69 O ATOM 1029 CB ASP A 70 23.973 32.173 37.735 1.00 0.60 C ATOM 1030 CG ASP A 70 22.506 32.522 37.453 1.00 1.50 C ATOM 1031 OD1 ASP A 70 21.678 32.303 38.323 1.00 2.21 O ATOM 1032 OD2 ASP A 70 22.232 32.991 36.361 1.00 2.27 O ATOM 0 H ASP A 70 25.974 33.692 39.235 1.00 0.59 H new ATOM 0 HA ASP A 70 23.371 32.357 39.799 1.00 0.63 H new ATOM 0 HB2 ASP A 70 24.626 32.801 37.129 1.00 0.60 H new ATOM 0 HB3 ASP A 70 24.169 31.140 37.449 1.00 0.60 H new ATOM 1037 N ASN A 71 24.651 30.073 39.915 1.00 0.78 N ATOM 1038 CA ASN A 71 25.476 28.926 40.388 1.00 0.87 C ATOM 1039 C ASN A 71 25.989 28.134 39.184 1.00 0.83 C ATOM 1040 O ASN A 71 26.559 27.070 39.330 1.00 0.91 O ATOM 1041 CB ASN A 71 24.631 28.014 41.276 1.00 1.03 C ATOM 1042 CG ASN A 71 23.947 28.854 42.356 1.00 1.64 C ATOM 1043 OD1 ASN A 71 24.127 30.054 42.413 1.00 2.42 O ATOM 1044 ND2 ASN A 71 23.170 28.269 43.224 1.00 2.24 N ATOM 0 H ASN A 71 23.660 29.869 39.783 1.00 0.78 H new ATOM 0 HA ASN A 71 26.322 29.304 40.962 1.00 0.87 H new ATOM 0 HB2 ASN A 71 23.884 27.493 40.676 1.00 1.03 H new ATOM 0 HB3 ASN A 71 25.259 27.251 41.736 1.00 1.03 H new ATOM 0 HD21 ASN A 71 22.713 28.819 43.951 1.00 2.24 H new ATOM 0 HD22 ASN A 71 23.019 27.261 43.176 1.00 2.24 H new ATOM 1051 N SER A 72 25.808 28.660 37.998 1.00 0.72 N ATOM 1052 CA SER A 72 26.302 27.963 36.773 1.00 0.71 C ATOM 1053 C SER A 72 27.091 28.956 35.899 1.00 0.58 C ATOM 1054 O SER A 72 26.717 29.238 34.777 1.00 0.58 O ATOM 1055 CB SER A 72 25.103 27.409 35.989 1.00 0.80 C ATOM 1056 OG SER A 72 24.842 26.077 36.413 1.00 1.46 O ATOM 0 H SER A 72 25.336 29.548 37.826 1.00 0.72 H new ATOM 0 HA SER A 72 26.959 27.140 37.055 1.00 0.71 H new ATOM 0 HB2 SER A 72 24.225 28.034 36.154 1.00 0.80 H new ATOM 0 HB3 SER A 72 25.312 27.428 34.919 1.00 0.80 H new ATOM 0 HG SER A 72 24.076 25.720 35.917 1.00 1.46 H new ATOM 1062 N PRO A 73 28.189 29.481 36.399 1.00 0.52 N ATOM 1063 CA PRO A 73 29.012 30.436 35.609 1.00 0.44 C ATOM 1064 C PRO A 73 29.549 29.811 34.322 1.00 0.44 C ATOM 1065 O PRO A 73 29.821 28.628 34.261 1.00 0.51 O ATOM 1066 CB PRO A 73 30.166 30.760 36.558 1.00 0.48 C ATOM 1067 CG PRO A 73 29.970 29.988 37.864 1.00 0.58 C ATOM 1068 CD PRO A 73 28.677 29.177 37.772 1.00 0.60 C ATOM 0 HA PRO A 73 28.439 31.306 35.288 1.00 0.44 H new ATOM 0 HB2 PRO A 73 31.117 30.489 36.100 1.00 0.48 H new ATOM 0 HB3 PRO A 73 30.201 31.831 36.756 1.00 0.48 H new ATOM 0 HG2 PRO A 73 30.818 29.326 38.041 1.00 0.58 H new ATOM 0 HG3 PRO A 73 29.923 30.678 38.706 1.00 0.58 H new ATOM 0 HD2 PRO A 73 28.858 28.111 37.909 1.00 0.60 H new ATOM 0 HD3 PRO A 73 27.957 29.478 38.532 1.00 0.60 H new ATOM 1076 N PHE A 74 29.714 30.595 33.296 1.00 0.41 N ATOM 1077 CA PHE A 74 30.242 30.042 32.022 1.00 0.45 C ATOM 1078 C PHE A 74 31.758 29.871 32.143 1.00 0.52 C ATOM 1079 O PHE A 74 32.461 30.777 32.545 1.00 0.54 O ATOM 1080 CB PHE A 74 29.914 31.002 30.879 1.00 0.44 C ATOM 1081 CG PHE A 74 28.417 31.041 30.677 1.00 0.42 C ATOM 1082 CD1 PHE A 74 27.779 30.002 29.991 1.00 0.43 C ATOM 1083 CD2 PHE A 74 27.669 32.115 31.171 1.00 0.49 C ATOM 1084 CE1 PHE A 74 26.394 30.035 29.798 1.00 0.47 C ATOM 1085 CE2 PHE A 74 26.282 32.148 30.979 1.00 0.52 C ATOM 1086 CZ PHE A 74 25.645 31.108 30.292 1.00 0.49 C ATOM 0 H PHE A 74 29.506 31.594 33.285 1.00 0.41 H new ATOM 0 HA PHE A 74 29.784 29.074 31.817 1.00 0.45 H new ATOM 0 HB2 PHE A 74 30.288 32.000 31.108 1.00 0.44 H new ATOM 0 HB3 PHE A 74 30.408 30.678 29.963 1.00 0.44 H new ATOM 0 HD1 PHE A 74 28.357 29.173 29.610 1.00 0.43 H new ATOM 0 HD2 PHE A 74 28.161 32.918 31.700 1.00 0.49 H new ATOM 0 HE1 PHE A 74 25.903 29.232 29.268 1.00 0.47 H new ATOM 0 HE2 PHE A 74 25.704 32.976 31.361 1.00 0.52 H new ATOM 0 HZ PHE A 74 24.576 31.134 30.143 1.00 0.49 H new ATOM 1096 N ASP A 75 32.262 28.714 31.804 1.00 0.63 N ATOM 1097 CA ASP A 75 33.731 28.470 31.902 1.00 0.74 C ATOM 1098 C ASP A 75 34.361 28.552 30.511 1.00 0.63 C ATOM 1099 O ASP A 75 34.853 27.574 29.984 1.00 0.64 O ATOM 1100 CB ASP A 75 33.975 27.079 32.492 1.00 0.89 C ATOM 1101 CG ASP A 75 35.477 26.861 32.688 1.00 1.03 C ATOM 1102 OD1 ASP A 75 36.246 27.526 32.015 1.00 1.50 O ATOM 1103 OD2 ASP A 75 35.832 26.034 33.512 1.00 1.56 O ATOM 0 H ASP A 75 31.716 27.923 31.462 1.00 0.63 H new ATOM 0 HA ASP A 75 34.182 29.225 32.546 1.00 0.74 H new ATOM 0 HB2 ASP A 75 33.456 26.981 33.445 1.00 0.89 H new ATOM 0 HB3 ASP A 75 33.570 26.315 31.828 1.00 0.89 H new ATOM 1108 N GLY A 76 34.350 29.710 29.912 1.00 0.65 N ATOM 1109 CA GLY A 76 34.951 29.849 28.555 1.00 0.68 C ATOM 1110 C GLY A 76 33.971 29.311 27.511 1.00 0.63 C ATOM 1111 O GLY A 76 32.863 28.940 27.833 1.00 0.55 O ATOM 0 H GLY A 76 33.952 30.565 30.302 1.00 0.65 H new ATOM 0 HA2 GLY A 76 35.179 30.895 28.351 1.00 0.68 H new ATOM 0 HA3 GLY A 76 35.892 29.301 28.504 1.00 0.68 H new ATOM 1115 N PRO A 77 34.375 29.270 26.268 1.00 0.72 N ATOM 1116 CA PRO A 77 33.489 28.765 25.183 1.00 0.76 C ATOM 1117 C PRO A 77 33.138 27.283 25.356 1.00 0.72 C ATOM 1118 O PRO A 77 32.433 26.705 24.553 1.00 0.79 O ATOM 1119 CB PRO A 77 34.339 28.977 23.928 1.00 0.92 C ATOM 1120 CG PRO A 77 35.699 29.557 24.338 1.00 0.97 C ATOM 1121 CD PRO A 77 35.731 29.722 25.861 1.00 0.85 C ATOM 0 HA PRO A 77 32.526 29.276 25.161 1.00 0.76 H new ATOM 0 HB2 PRO A 77 34.476 28.032 23.402 1.00 0.92 H new ATOM 0 HB3 PRO A 77 33.833 29.654 23.240 1.00 0.92 H new ATOM 0 HG2 PRO A 77 36.503 28.897 24.014 1.00 0.97 H new ATOM 0 HG3 PRO A 77 35.860 30.519 23.851 1.00 0.97 H new ATOM 0 HD2 PRO A 77 36.514 29.116 26.317 1.00 0.85 H new ATOM 0 HD3 PRO A 77 35.918 30.756 26.152 1.00 0.85 H new ATOM 1129 N GLY A 78 33.620 26.667 26.403 1.00 0.66 N ATOM 1130 CA GLY A 78 33.310 25.226 26.635 1.00 0.68 C ATOM 1131 C GLY A 78 32.113 25.117 27.580 1.00 0.61 C ATOM 1132 O GLY A 78 31.652 26.098 28.122 1.00 0.57 O ATOM 0 H GLY A 78 34.216 27.100 27.108 1.00 0.66 H new ATOM 0 HA2 GLY A 78 33.088 24.732 25.689 1.00 0.68 H new ATOM 0 HA3 GLY A 78 34.175 24.720 27.064 1.00 0.68 H new ATOM 1136 N GLY A 79 31.602 23.936 27.787 1.00 0.64 N ATOM 1137 CA GLY A 79 30.431 23.788 28.697 1.00 0.61 C ATOM 1138 C GLY A 79 29.150 24.126 27.930 1.00 0.55 C ATOM 1139 O GLY A 79 29.137 24.167 26.716 1.00 0.52 O ATOM 0 H GLY A 79 31.942 23.070 27.368 1.00 0.64 H new ATOM 0 HA2 GLY A 79 30.381 22.769 29.081 1.00 0.61 H new ATOM 0 HA3 GLY A 79 30.539 24.448 29.558 1.00 0.61 H new ATOM 1143 N ASN A 80 28.071 24.368 28.627 1.00 0.54 N ATOM 1144 CA ASN A 80 26.793 24.702 27.933 1.00 0.50 C ATOM 1145 C ASN A 80 26.884 26.106 27.334 1.00 0.44 C ATOM 1146 O ASN A 80 27.587 26.959 27.838 1.00 0.44 O ATOM 1147 CB ASN A 80 25.640 24.656 28.935 1.00 0.55 C ATOM 1148 CG ASN A 80 25.381 23.207 29.348 1.00 0.63 C ATOM 1149 OD1 ASN A 80 25.724 22.288 28.631 1.00 1.18 O ATOM 1150 ND2 ASN A 80 24.789 22.963 30.484 1.00 1.20 N ATOM 0 H ASN A 80 28.020 24.349 29.646 1.00 0.54 H new ATOM 0 HA ASN A 80 26.617 23.978 27.138 1.00 0.50 H new ATOM 0 HB2 ASN A 80 25.882 25.257 29.811 1.00 0.55 H new ATOM 0 HB3 ASN A 80 24.741 25.085 28.492 1.00 0.55 H new ATOM 0 HD21 ASN A 80 24.614 22.000 30.771 1.00 1.20 H new ATOM 0 HD22 ASN A 80 24.501 23.735 31.085 1.00 1.20 H new ATOM 1157 N LEU A 81 26.180 26.354 26.262 1.00 0.41 N ATOM 1158 CA LEU A 81 26.231 27.706 25.635 1.00 0.36 C ATOM 1159 C LEU A 81 25.083 28.568 26.172 1.00 0.31 C ATOM 1160 O LEU A 81 24.947 29.725 25.818 1.00 0.28 O ATOM 1161 CB LEU A 81 26.087 27.579 24.110 1.00 0.39 C ATOM 1162 CG LEU A 81 26.872 26.371 23.564 1.00 0.48 C ATOM 1163 CD1 LEU A 81 26.670 26.297 22.048 1.00 0.52 C ATOM 1164 CD2 LEU A 81 28.377 26.493 23.858 1.00 0.52 C ATOM 0 H LEU A 81 25.573 25.680 25.795 1.00 0.41 H new ATOM 0 HA LEU A 81 27.187 28.171 25.876 1.00 0.36 H new ATOM 0 HB2 LEU A 81 25.033 27.476 23.851 1.00 0.39 H new ATOM 0 HB3 LEU A 81 26.445 28.492 23.633 1.00 0.39 H new ATOM 0 HG LEU A 81 26.500 25.471 24.055 1.00 0.48 H new ATOM 0 HD11 LEU A 81 27.221 25.445 21.649 1.00 0.52 H new ATOM 0 HD12 LEU A 81 25.609 26.178 21.828 1.00 0.52 H new ATOM 0 HD13 LEU A 81 27.036 27.214 21.587 1.00 0.52 H new ATOM 0 HD21 LEU A 81 28.898 25.623 23.458 1.00 0.52 H new ATOM 0 HD22 LEU A 81 28.767 27.396 23.389 1.00 0.52 H new ATOM 0 HD23 LEU A 81 28.534 26.546 24.935 1.00 0.52 H new ATOM 1176 N ALA A 82 24.253 28.022 27.016 1.00 0.32 N ATOM 1177 CA ALA A 82 23.118 28.823 27.557 1.00 0.29 C ATOM 1178 C ALA A 82 22.322 27.976 28.550 1.00 0.32 C ATOM 1179 O ALA A 82 22.586 26.804 28.729 1.00 0.39 O ATOM 1180 CB ALA A 82 22.205 29.239 26.404 1.00 0.31 C ATOM 0 H ALA A 82 24.310 27.061 27.354 1.00 0.32 H new ATOM 0 HA ALA A 82 23.504 29.708 28.063 1.00 0.29 H new ATOM 0 HB1 ALA A 82 21.372 29.825 26.793 1.00 0.31 H new ATOM 0 HB2 ALA A 82 22.770 29.839 25.691 1.00 0.31 H new ATOM 0 HB3 ALA A 82 21.821 28.349 25.905 1.00 0.31 H new ATOM 1186 N HIS A 83 21.341 28.553 29.194 1.00 0.28 N ATOM 1187 CA HIS A 83 20.533 27.758 30.162 1.00 0.32 C ATOM 1188 C HIS A 83 19.290 28.545 30.572 1.00 0.29 C ATOM 1189 O HIS A 83 19.155 29.716 30.278 1.00 0.27 O ATOM 1190 CB HIS A 83 21.371 27.435 31.402 1.00 0.36 C ATOM 1191 CG HIS A 83 21.842 28.706 32.051 1.00 0.33 C ATOM 1192 ND1 HIS A 83 23.187 29.002 32.194 1.00 0.94 N ATOM 1193 CD2 HIS A 83 21.165 29.765 32.606 1.00 0.76 C ATOM 1194 CE1 HIS A 83 23.278 30.192 32.811 1.00 0.78 C ATOM 1195 NE2 HIS A 83 22.075 30.702 33.085 1.00 0.46 N ATOM 0 H HIS A 83 21.067 29.530 29.092 1.00 0.28 H new ATOM 0 HA HIS A 83 20.227 26.827 29.685 1.00 0.32 H new ATOM 0 HB2 HIS A 83 20.779 26.854 32.109 1.00 0.36 H new ATOM 0 HB3 HIS A 83 22.227 26.821 31.122 1.00 0.36 H new ATOM 0 HD1 HIS A 83 23.967 28.422 31.887 1.00 0.94 H new ATOM 0 HD2 HIS A 83 20.090 29.856 32.662 1.00 0.76 H new ATOM 0 HE1 HIS A 83 24.211 30.677 33.056 1.00 0.78 H new ATOM 1203 N ALA A 84 18.377 27.904 31.249 1.00 0.29 N ATOM 1204 CA ALA A 84 17.137 28.604 31.682 1.00 0.28 C ATOM 1205 C ALA A 84 16.660 28.012 33.010 1.00 0.29 C ATOM 1206 O ALA A 84 17.102 26.959 33.424 1.00 0.32 O ATOM 1207 CB ALA A 84 16.051 28.419 30.620 1.00 0.31 C ATOM 0 H ALA A 84 18.438 26.923 31.521 1.00 0.29 H new ATOM 0 HA ALA A 84 17.342 29.667 31.809 1.00 0.28 H new ATOM 0 HB1 ALA A 84 15.142 28.931 30.936 1.00 0.31 H new ATOM 0 HB2 ALA A 84 16.393 28.837 29.673 1.00 0.31 H new ATOM 0 HB3 ALA A 84 15.843 27.357 30.493 1.00 0.31 H new ATOM 1213 N PHE A 85 15.761 28.683 33.678 1.00 0.28 N ATOM 1214 CA PHE A 85 15.252 28.164 34.982 1.00 0.30 C ATOM 1215 C PHE A 85 13.924 27.439 34.749 1.00 0.32 C ATOM 1216 O PHE A 85 13.266 27.648 33.750 1.00 0.34 O ATOM 1217 CB PHE A 85 15.043 29.337 35.940 1.00 0.30 C ATOM 1218 CG PHE A 85 16.385 29.925 36.299 1.00 0.32 C ATOM 1219 CD1 PHE A 85 16.930 30.949 35.515 1.00 0.32 C ATOM 1220 CD2 PHE A 85 17.088 29.442 37.408 1.00 0.38 C ATOM 1221 CE1 PHE A 85 18.178 31.490 35.841 1.00 0.37 C ATOM 1222 CE2 PHE A 85 18.337 29.983 37.733 1.00 0.43 C ATOM 1223 CZ PHE A 85 18.881 31.007 36.949 1.00 0.42 C ATOM 0 H PHE A 85 15.356 29.570 33.377 1.00 0.28 H new ATOM 0 HA PHE A 85 15.971 27.469 35.415 1.00 0.30 H new ATOM 0 HB2 PHE A 85 14.413 30.095 35.475 1.00 0.30 H new ATOM 0 HB3 PHE A 85 14.527 29.001 36.839 1.00 0.30 H new ATOM 0 HD1 PHE A 85 16.387 31.321 34.659 1.00 0.32 H new ATOM 0 HD2 PHE A 85 16.667 28.652 38.013 1.00 0.38 H new ATOM 0 HE1 PHE A 85 18.598 32.281 35.237 1.00 0.37 H new ATOM 0 HE2 PHE A 85 18.881 29.611 38.588 1.00 0.43 H new ATOM 0 HZ PHE A 85 19.845 31.425 37.200 1.00 0.42 H new ATOM 1233 N GLN A 86 13.523 26.578 35.650 1.00 0.36 N ATOM 1234 CA GLN A 86 12.239 25.848 35.440 1.00 0.40 C ATOM 1235 C GLN A 86 11.082 26.862 35.339 1.00 0.37 C ATOM 1236 O GLN A 86 11.138 27.917 35.939 1.00 0.36 O ATOM 1237 CB GLN A 86 11.966 24.894 36.618 1.00 0.47 C ATOM 1238 CG GLN A 86 12.735 23.569 36.459 1.00 0.59 C ATOM 1239 CD GLN A 86 14.141 23.699 37.046 1.00 1.44 C ATOM 1240 OE1 GLN A 86 14.340 24.366 38.041 1.00 2.26 O ATOM 1241 NE2 GLN A 86 15.130 23.073 36.468 1.00 2.25 N ATOM 0 H GLN A 86 14.022 26.352 36.510 1.00 0.36 H new ATOM 0 HA GLN A 86 12.312 25.270 34.519 1.00 0.40 H new ATOM 0 HB2 GLN A 86 12.256 25.375 37.552 1.00 0.47 H new ATOM 0 HB3 GLN A 86 10.897 24.690 36.683 1.00 0.47 H new ATOM 0 HG2 GLN A 86 12.197 22.765 36.961 1.00 0.59 H new ATOM 0 HG3 GLN A 86 12.797 23.301 35.404 1.00 0.59 H new ATOM 0 HE21 GLN A 86 14.960 22.513 35.632 1.00 2.25 H new ATOM 0 HE22 GLN A 86 16.072 23.144 36.852 1.00 2.25 H new ATOM 1250 N PRO A 87 10.032 26.554 34.596 1.00 0.39 N ATOM 1251 CA PRO A 87 8.881 27.495 34.470 1.00 0.40 C ATOM 1252 C PRO A 87 8.212 27.789 35.818 1.00 0.43 C ATOM 1253 O PRO A 87 7.386 27.034 36.291 1.00 0.50 O ATOM 1254 CB PRO A 87 7.920 26.737 33.548 1.00 0.45 C ATOM 1255 CG PRO A 87 8.505 25.354 33.246 1.00 0.46 C ATOM 1256 CD PRO A 87 9.913 25.274 33.838 1.00 0.43 C ATOM 0 HA PRO A 87 9.186 28.471 34.092 1.00 0.40 H new ATOM 0 HB2 PRO A 87 6.944 26.637 34.022 1.00 0.45 H new ATOM 0 HB3 PRO A 87 7.770 27.292 32.622 1.00 0.45 H new ATOM 0 HG2 PRO A 87 7.872 24.575 33.672 1.00 0.46 H new ATOM 0 HG3 PRO A 87 8.538 25.185 32.170 1.00 0.46 H new ATOM 0 HD2 PRO A 87 10.028 24.407 34.489 1.00 0.43 H new ATOM 0 HD3 PRO A 87 10.673 25.193 33.061 1.00 0.43 H new ATOM 1264 N GLY A 88 8.557 28.882 36.441 1.00 0.43 N ATOM 1265 CA GLY A 88 7.930 29.216 37.751 1.00 0.49 C ATOM 1266 C GLY A 88 8.037 30.725 38.002 1.00 0.46 C ATOM 1267 O GLY A 88 8.755 31.420 37.311 1.00 0.40 O ATOM 0 H GLY A 88 9.243 29.556 36.101 1.00 0.43 H new ATOM 0 HA2 GLY A 88 6.884 28.910 37.754 1.00 0.49 H new ATOM 0 HA3 GLY A 88 8.425 28.668 38.553 1.00 0.49 H new ATOM 1271 N PRO A 89 7.336 31.233 38.987 1.00 0.53 N ATOM 1272 CA PRO A 89 7.395 32.687 39.301 1.00 0.53 C ATOM 1273 C PRO A 89 8.807 33.136 39.688 1.00 0.48 C ATOM 1274 O PRO A 89 9.719 32.339 39.779 1.00 0.46 O ATOM 1275 CB PRO A 89 6.450 32.814 40.498 1.00 0.62 C ATOM 1276 CG PRO A 89 5.913 31.424 40.860 1.00 0.68 C ATOM 1277 CD PRO A 89 6.446 30.407 39.847 1.00 0.63 C ATOM 0 HA PRO A 89 7.121 33.308 38.448 1.00 0.53 H new ATOM 0 HB2 PRO A 89 6.976 33.248 41.349 1.00 0.62 H new ATOM 0 HB3 PRO A 89 5.626 33.485 40.257 1.00 0.62 H new ATOM 0 HG2 PRO A 89 6.224 31.150 41.868 1.00 0.68 H new ATOM 0 HG3 PRO A 89 4.823 31.427 40.853 1.00 0.68 H new ATOM 0 HD2 PRO A 89 6.991 29.599 40.334 1.00 0.63 H new ATOM 0 HD3 PRO A 89 5.641 29.948 39.273 1.00 0.63 H new ATOM 1285 N GLY A 90 8.993 34.405 39.923 1.00 0.50 N ATOM 1286 CA GLY A 90 10.344 34.899 40.311 1.00 0.49 C ATOM 1287 C GLY A 90 11.296 34.794 39.118 1.00 0.43 C ATOM 1288 O GLY A 90 11.031 35.317 38.055 1.00 0.45 O ATOM 0 H GLY A 90 8.269 35.121 39.863 1.00 0.50 H new ATOM 0 HA2 GLY A 90 10.280 35.934 40.647 1.00 0.49 H new ATOM 0 HA3 GLY A 90 10.728 34.315 41.147 1.00 0.49 H new ATOM 1292 N ILE A 91 12.410 34.133 39.287 1.00 0.40 N ATOM 1293 CA ILE A 91 13.375 34.015 38.159 1.00 0.36 C ATOM 1294 C ILE A 91 12.989 32.832 37.255 1.00 0.30 C ATOM 1295 O ILE A 91 13.544 32.641 36.192 1.00 0.29 O ATOM 1296 CB ILE A 91 14.801 33.839 38.717 1.00 0.40 C ATOM 1297 CG1 ILE A 91 15.817 33.883 37.562 1.00 0.38 C ATOM 1298 CG2 ILE A 91 14.928 32.508 39.471 1.00 0.42 C ATOM 1299 CD1 ILE A 91 17.249 33.939 38.107 1.00 0.47 C ATOM 0 H ILE A 91 12.691 33.673 40.153 1.00 0.40 H new ATOM 0 HA ILE A 91 13.345 34.924 37.558 1.00 0.36 H new ATOM 0 HB ILE A 91 15.005 34.652 39.414 1.00 0.40 H new ATOM 0 HG12 ILE A 91 15.696 33.003 36.930 1.00 0.38 H new ATOM 0 HG13 ILE A 91 15.626 34.754 36.935 1.00 0.38 H new ATOM 0 HG21 ILE A 91 15.942 32.404 39.857 1.00 0.42 H new ATOM 0 HG22 ILE A 91 14.221 32.491 40.300 1.00 0.42 H new ATOM 0 HG23 ILE A 91 14.711 31.683 38.792 1.00 0.42 H new ATOM 0 HD11 ILE A 91 17.954 33.970 37.276 1.00 0.47 H new ATOM 0 HD12 ILE A 91 17.371 34.833 38.719 1.00 0.47 H new ATOM 0 HD13 ILE A 91 17.442 33.055 38.714 1.00 0.47 H new ATOM 1311 N GLY A 92 12.041 32.037 37.672 1.00 0.30 N ATOM 1312 CA GLY A 92 11.622 30.863 36.846 1.00 0.29 C ATOM 1313 C GLY A 92 11.111 31.321 35.474 1.00 0.29 C ATOM 1314 O GLY A 92 10.443 32.329 35.350 1.00 0.31 O ATOM 0 H GLY A 92 11.536 32.148 38.551 1.00 0.30 H new ATOM 0 HA2 GLY A 92 12.464 30.183 36.718 1.00 0.29 H new ATOM 0 HA3 GLY A 92 10.840 30.308 37.364 1.00 0.29 H new ATOM 1318 N GLY A 93 11.414 30.573 34.444 1.00 0.30 N ATOM 1319 CA GLY A 93 10.946 30.938 33.074 1.00 0.32 C ATOM 1320 C GLY A 93 11.974 31.846 32.397 1.00 0.29 C ATOM 1321 O GLY A 93 11.985 31.997 31.191 1.00 0.31 O ATOM 0 H GLY A 93 11.970 29.719 34.494 1.00 0.30 H new ATOM 0 HA2 GLY A 93 10.796 30.037 32.479 1.00 0.32 H new ATOM 0 HA3 GLY A 93 9.983 31.445 33.132 1.00 0.32 H new ATOM 1325 N ASP A 94 12.838 32.450 33.161 1.00 0.25 N ATOM 1326 CA ASP A 94 13.865 33.347 32.563 1.00 0.25 C ATOM 1327 C ASP A 94 14.825 32.542 31.691 1.00 0.25 C ATOM 1328 O ASP A 94 14.977 31.345 31.855 1.00 0.42 O ATOM 1329 CB ASP A 94 14.639 34.050 33.674 1.00 0.26 C ATOM 1330 CG ASP A 94 13.722 35.068 34.352 1.00 0.30 C ATOM 1331 OD1 ASP A 94 12.742 35.454 33.740 1.00 1.06 O ATOM 1332 OD2 ASP A 94 14.018 35.451 35.464 1.00 1.17 O ATOM 0 H ASP A 94 12.878 32.362 34.176 1.00 0.25 H new ATOM 0 HA ASP A 94 13.368 34.092 31.941 1.00 0.25 H new ATOM 0 HB2 ASP A 94 14.997 33.322 34.402 1.00 0.26 H new ATOM 0 HB3 ASP A 94 15.517 34.549 33.264 1.00 0.26 H new ATOM 1337 N ALA A 95 15.471 33.198 30.763 1.00 0.26 N ATOM 1338 CA ALA A 95 16.425 32.490 29.865 1.00 0.27 C ATOM 1339 C ALA A 95 17.679 33.347 29.685 1.00 0.21 C ATOM 1340 O ALA A 95 17.610 34.479 29.249 1.00 0.24 O ATOM 1341 CB ALA A 95 15.761 32.265 28.505 1.00 0.34 C ATOM 0 H ALA A 95 15.377 34.199 30.589 1.00 0.26 H new ATOM 0 HA ALA A 95 16.700 31.530 30.301 1.00 0.27 H new ATOM 0 HB1 ALA A 95 16.455 31.747 27.843 1.00 0.34 H new ATOM 0 HB2 ALA A 95 14.863 31.661 28.634 1.00 0.34 H new ATOM 0 HB3 ALA A 95 15.492 33.227 28.068 1.00 0.34 H new ATOM 1347 N HIS A 96 18.824 32.808 30.024 1.00 0.23 N ATOM 1348 CA HIS A 96 20.096 33.576 29.886 1.00 0.23 C ATOM 1349 C HIS A 96 20.909 33.020 28.720 1.00 0.21 C ATOM 1350 O HIS A 96 20.971 31.820 28.514 1.00 0.25 O ATOM 1351 CB HIS A 96 20.919 33.435 31.164 1.00 0.31 C ATOM 1352 CG HIS A 96 20.188 34.057 32.321 1.00 0.26 C ATOM 1353 ND1 HIS A 96 20.877 33.993 33.521 1.00 0.31 N ATOM 1354 CD2 HIS A 96 18.984 34.686 32.513 1.00 0.25 C ATOM 1355 CE1 HIS A 96 20.082 34.583 34.420 1.00 0.34 C ATOM 1356 NE2 HIS A 96 18.935 35.014 33.865 1.00 0.30 N ATOM 0 H HIS A 96 18.931 31.863 30.393 1.00 0.23 H new ATOM 0 HA HIS A 96 19.859 34.625 29.707 1.00 0.23 H new ATOM 0 HB2 HIS A 96 21.110 32.381 31.368 1.00 0.31 H new ATOM 0 HB3 HIS A 96 21.889 33.916 31.036 1.00 0.31 H new ATOM 0 HD2 HIS A 96 18.229 34.886 31.768 1.00 0.25 H new ATOM 0 HE1 HIS A 96 20.331 34.699 35.465 1.00 0.34 H new ATOM 0 HE2 HIS A 96 18.172 35.492 34.345 1.00 0.30 H new ATOM 1364 N PHE A 97 21.535 33.885 27.962 1.00 0.19 N ATOM 1365 CA PHE A 97 22.356 33.421 26.801 1.00 0.19 C ATOM 1366 C PHE A 97 23.835 33.757 27.016 1.00 0.19 C ATOM 1367 O PHE A 97 24.181 34.837 27.461 1.00 0.20 O ATOM 1368 CB PHE A 97 21.869 34.125 25.541 1.00 0.21 C ATOM 1369 CG PHE A 97 20.588 33.489 25.070 1.00 0.21 C ATOM 1370 CD1 PHE A 97 19.397 33.724 25.765 1.00 0.21 C ATOM 1371 CD2 PHE A 97 20.591 32.670 23.937 1.00 0.28 C ATOM 1372 CE1 PHE A 97 18.206 33.137 25.327 1.00 0.24 C ATOM 1373 CE2 PHE A 97 19.400 32.083 23.498 1.00 0.31 C ATOM 1374 CZ PHE A 97 18.207 32.316 24.193 1.00 0.28 C ATOM 0 H PHE A 97 21.513 34.896 28.097 1.00 0.19 H new ATOM 0 HA PHE A 97 22.250 32.341 26.704 1.00 0.19 H new ATOM 0 HB2 PHE A 97 21.708 35.184 25.743 1.00 0.21 H new ATOM 0 HB3 PHE A 97 22.627 34.061 24.760 1.00 0.21 H new ATOM 0 HD1 PHE A 97 19.397 34.358 26.639 1.00 0.21 H new ATOM 0 HD2 PHE A 97 21.512 32.491 23.402 1.00 0.28 H new ATOM 0 HE1 PHE A 97 17.286 33.317 25.863 1.00 0.24 H new ATOM 0 HE2 PHE A 97 19.400 31.450 22.623 1.00 0.31 H new ATOM 0 HZ PHE A 97 17.287 31.862 23.854 1.00 0.28 H new ATOM 1384 N ASP A 98 24.712 32.840 26.682 1.00 0.21 N ATOM 1385 CA ASP A 98 26.170 33.105 26.840 1.00 0.24 C ATOM 1386 C ASP A 98 26.598 34.166 25.823 1.00 0.23 C ATOM 1387 O ASP A 98 26.868 33.868 24.677 1.00 0.27 O ATOM 1388 CB ASP A 98 26.962 31.821 26.589 1.00 0.30 C ATOM 1389 CG ASP A 98 28.419 32.054 26.983 1.00 0.37 C ATOM 1390 OD1 ASP A 98 28.746 33.182 27.310 1.00 0.42 O ATOM 1391 OD2 ASP A 98 29.183 31.106 26.944 1.00 0.41 O ATOM 0 H ASP A 98 24.477 31.921 26.307 1.00 0.21 H new ATOM 0 HA ASP A 98 26.366 33.456 27.853 1.00 0.24 H new ATOM 0 HB2 ASP A 98 26.541 30.999 27.169 1.00 0.30 H new ATOM 0 HB3 ASP A 98 26.896 31.537 25.539 1.00 0.30 H new ATOM 1396 N GLU A 99 26.648 35.399 26.230 1.00 0.22 N ATOM 1397 CA GLU A 99 27.041 36.487 25.289 1.00 0.25 C ATOM 1398 C GLU A 99 28.550 36.448 25.020 1.00 0.28 C ATOM 1399 O GLU A 99 29.065 37.207 24.224 1.00 0.32 O ATOM 1400 CB GLU A 99 26.640 37.821 25.913 1.00 0.28 C ATOM 1401 CG GLU A 99 26.978 38.987 24.979 1.00 0.39 C ATOM 1402 CD GLU A 99 26.311 40.263 25.497 1.00 0.99 C ATOM 1403 OE1 GLU A 99 25.509 40.161 26.412 1.00 1.68 O ATOM 1404 OE2 GLU A 99 26.608 41.321 24.967 1.00 1.71 O ATOM 0 H GLU A 99 26.433 35.705 27.179 1.00 0.22 H new ATOM 0 HA GLU A 99 26.535 36.355 24.333 1.00 0.25 H new ATOM 0 HB2 GLU A 99 25.571 37.820 26.127 1.00 0.28 H new ATOM 0 HB3 GLU A 99 27.156 37.951 26.864 1.00 0.28 H new ATOM 0 HG2 GLU A 99 28.058 39.124 24.926 1.00 0.39 H new ATOM 0 HG3 GLU A 99 26.635 38.769 23.968 1.00 0.39 H new ATOM 1411 N ASP A 100 29.269 35.569 25.660 1.00 0.30 N ATOM 1412 CA ASP A 100 30.739 35.508 25.415 1.00 0.37 C ATOM 1413 C ASP A 100 31.005 34.810 24.080 1.00 0.36 C ATOM 1414 O ASP A 100 32.054 34.959 23.488 1.00 0.42 O ATOM 1415 CB ASP A 100 31.420 34.720 26.537 1.00 0.44 C ATOM 1416 CG ASP A 100 31.377 35.530 27.833 1.00 0.51 C ATOM 1417 OD1 ASP A 100 31.200 36.734 27.749 1.00 1.16 O ATOM 1418 OD2 ASP A 100 31.525 34.934 28.886 1.00 1.25 O ATOM 0 H ASP A 100 28.908 34.896 26.336 1.00 0.30 H new ATOM 0 HA ASP A 100 31.139 36.522 25.388 1.00 0.37 H new ATOM 0 HB2 ASP A 100 30.919 33.762 26.678 1.00 0.44 H new ATOM 0 HB3 ASP A 100 32.453 34.502 26.267 1.00 0.44 H new ATOM 1423 N GLU A 101 30.064 34.044 23.607 1.00 0.35 N ATOM 1424 CA GLU A 101 30.262 33.329 22.317 1.00 0.39 C ATOM 1425 C GLU A 101 29.778 34.192 21.158 1.00 0.32 C ATOM 1426 O GLU A 101 29.085 35.173 21.343 1.00 0.32 O ATOM 1427 CB GLU A 101 29.473 32.030 22.344 1.00 0.48 C ATOM 1428 CG GLU A 101 30.113 31.095 23.361 1.00 0.66 C ATOM 1429 CD GLU A 101 29.110 30.021 23.742 1.00 0.91 C ATOM 1430 OE1 GLU A 101 28.260 29.718 22.924 1.00 1.61 O ATOM 1431 OE2 GLU A 101 29.197 29.536 24.852 1.00 1.11 O ATOM 0 H GLU A 101 29.164 33.882 24.059 1.00 0.35 H new ATOM 0 HA GLU A 101 31.323 33.119 22.181 1.00 0.39 H new ATOM 0 HB2 GLU A 101 28.434 32.224 22.610 1.00 0.48 H new ATOM 0 HB3 GLU A 101 29.469 31.569 21.356 1.00 0.48 H new ATOM 0 HG2 GLU A 101 31.011 30.641 22.942 1.00 0.66 H new ATOM 0 HG3 GLU A 101 30.421 31.654 24.245 1.00 0.66 H new ATOM 1438 N ARG A 102 30.141 33.832 19.960 1.00 0.35 N ATOM 1439 CA ARG A 102 29.707 34.626 18.783 1.00 0.36 C ATOM 1440 C ARG A 102 28.415 34.037 18.222 1.00 0.31 C ATOM 1441 O ARG A 102 28.383 32.923 17.739 1.00 0.34 O ATOM 1442 CB ARG A 102 30.800 34.578 17.716 1.00 0.48 C ATOM 1443 CG ARG A 102 30.387 35.437 16.519 1.00 0.56 C ATOM 1444 CD ARG A 102 31.502 35.430 15.472 1.00 1.14 C ATOM 1445 NE ARG A 102 31.585 36.771 14.834 1.00 1.79 N ATOM 1446 CZ ARG A 102 32.644 37.100 14.151 1.00 2.31 C ATOM 1447 NH1 ARG A 102 33.617 36.243 14.004 1.00 2.50 N ATOM 1448 NH2 ARG A 102 32.730 38.286 13.614 1.00 3.27 N ATOM 0 H ARG A 102 30.721 33.020 19.747 1.00 0.35 H new ATOM 0 HA ARG A 102 29.532 35.660 19.079 1.00 0.36 H new ATOM 0 HB2 ARG A 102 31.741 34.940 18.129 1.00 0.48 H new ATOM 0 HB3 ARG A 102 30.967 33.549 17.398 1.00 0.48 H new ATOM 0 HG2 ARG A 102 29.464 35.053 16.084 1.00 0.56 H new ATOM 0 HG3 ARG A 102 30.186 36.458 16.844 1.00 0.56 H new ATOM 0 HD2 ARG A 102 32.454 35.177 15.939 1.00 1.14 H new ATOM 0 HD3 ARG A 102 31.304 34.668 14.718 1.00 1.14 H new ATOM 0 HE ARG A 102 30.814 37.432 14.931 1.00 1.79 H new ATOM 0 HH11 ARG A 102 33.548 35.316 14.424 1.00 2.50 H new ATOM 0 HH12 ARG A 102 34.447 36.500 13.469 1.00 2.50 H new ATOM 0 HH21 ARG A 102 31.968 38.955 13.729 1.00 3.27 H new ATOM 0 HH22 ARG A 102 33.559 38.545 13.079 1.00 3.27 H new ATOM 1462 N TRP A 103 27.350 34.784 18.279 1.00 0.27 N ATOM 1463 CA TRP A 103 26.057 34.281 17.750 1.00 0.27 C ATOM 1464 C TRP A 103 25.929 34.684 16.275 1.00 0.28 C ATOM 1465 O TRP A 103 26.243 35.796 15.901 1.00 0.31 O ATOM 1466 CB TRP A 103 24.914 34.897 18.560 1.00 0.30 C ATOM 1467 CG TRP A 103 24.930 34.352 19.956 1.00 0.29 C ATOM 1468 CD1 TRP A 103 25.166 35.086 21.069 1.00 0.34 C ATOM 1469 CD2 TRP A 103 24.713 32.981 20.412 1.00 0.29 C ATOM 1470 NE1 TRP A 103 25.106 34.257 22.175 1.00 0.35 N ATOM 1471 CE2 TRP A 103 24.831 32.951 21.823 1.00 0.32 C ATOM 1472 CE3 TRP A 103 24.428 31.773 19.748 1.00 0.32 C ATOM 1473 CZ2 TRP A 103 24.674 31.767 22.548 1.00 0.34 C ATOM 1474 CZ3 TRP A 103 24.268 30.580 20.475 1.00 0.37 C ATOM 1475 CH2 TRP A 103 24.392 30.578 21.871 1.00 0.37 C ATOM 0 H TRP A 103 27.321 35.725 18.671 1.00 0.27 H new ATOM 0 HA TRP A 103 26.013 33.195 17.832 1.00 0.27 H new ATOM 0 HB2 TRP A 103 25.015 35.982 18.582 1.00 0.30 H new ATOM 0 HB3 TRP A 103 23.959 34.676 18.084 1.00 0.30 H new ATOM 0 HD1 TRP A 103 25.368 36.147 21.090 1.00 0.34 H new ATOM 0 HE1 TRP A 103 25.248 34.573 23.134 1.00 0.35 H new ATOM 0 HE3 TRP A 103 24.332 31.762 18.672 1.00 0.32 H new ATOM 0 HZ2 TRP A 103 24.770 31.771 23.624 1.00 0.34 H new ATOM 0 HZ3 TRP A 103 24.048 29.660 19.954 1.00 0.37 H new ATOM 0 HH2 TRP A 103 24.270 29.658 22.423 1.00 0.37 H new ATOM 1486 N THR A 104 25.476 33.783 15.440 1.00 0.29 N ATOM 1487 CA THR A 104 25.324 34.093 13.982 1.00 0.32 C ATOM 1488 C THR A 104 23.903 33.743 13.542 1.00 0.39 C ATOM 1489 O THR A 104 23.156 33.131 14.280 1.00 0.40 O ATOM 1490 CB THR A 104 26.320 33.257 13.184 1.00 0.35 C ATOM 1491 OG1 THR A 104 26.091 31.894 13.480 1.00 0.48 O ATOM 1492 CG2 THR A 104 27.744 33.652 13.585 1.00 0.39 C ATOM 0 H THR A 104 25.202 32.837 15.707 1.00 0.29 H new ATOM 0 HA THR A 104 25.513 35.152 13.807 1.00 0.32 H new ATOM 0 HB THR A 104 26.196 33.427 12.115 1.00 0.35 H new ATOM 0 HG1 THR A 104 25.390 31.820 14.160 1.00 0.48 H new ATOM 0 HG21 THR A 104 28.460 33.057 13.018 1.00 0.39 H new ATOM 0 HG22 THR A 104 27.902 34.709 13.373 1.00 0.39 H new ATOM 0 HG23 THR A 104 27.886 33.471 14.650 1.00 0.39 H new ATOM 1500 N ASN A 105 23.526 34.132 12.351 1.00 0.49 N ATOM 1501 CA ASN A 105 22.147 33.833 11.858 1.00 0.59 C ATOM 1502 C ASN A 105 22.191 32.863 10.685 1.00 0.64 C ATOM 1503 O ASN A 105 21.255 32.772 9.915 1.00 0.73 O ATOM 1504 CB ASN A 105 21.470 35.127 11.426 1.00 0.68 C ATOM 1505 CG ASN A 105 21.092 35.923 12.672 1.00 0.71 C ATOM 1506 OD1 ASN A 105 20.988 35.374 13.751 1.00 1.22 O ATOM 1507 ND2 ASN A 105 20.880 37.199 12.571 1.00 1.38 N ATOM 0 H ASN A 105 24.116 34.646 11.696 1.00 0.49 H new ATOM 0 HA ASN A 105 21.581 33.372 12.667 1.00 0.59 H new ATOM 0 HB2 ASN A 105 22.139 35.711 10.794 1.00 0.68 H new ATOM 0 HB3 ASN A 105 20.582 34.909 10.833 1.00 0.68 H new ATOM 0 HD21 ASN A 105 20.626 37.741 13.397 1.00 1.38 H new ATOM 0 HD22 ASN A 105 20.967 37.660 11.665 1.00 1.38 H new ATOM 1514 N ASN A 106 23.248 32.118 10.550 1.00 0.62 N ATOM 1515 CA ASN A 106 23.308 31.139 9.436 1.00 0.70 C ATOM 1516 C ASN A 106 24.121 29.925 9.883 1.00 0.75 C ATOM 1517 O ASN A 106 24.351 29.725 11.059 1.00 0.75 O ATOM 1518 CB ASN A 106 23.914 31.792 8.188 1.00 0.71 C ATOM 1519 CG ASN A 106 25.316 32.306 8.476 1.00 0.72 C ATOM 1520 OD1 ASN A 106 26.288 31.658 8.144 1.00 1.36 O ATOM 1521 ND2 ASN A 106 25.460 33.463 9.068 1.00 1.15 N ATOM 0 H ASN A 106 24.067 32.144 11.158 1.00 0.62 H new ATOM 0 HA ASN A 106 22.302 30.809 9.176 1.00 0.70 H new ATOM 0 HB2 ASN A 106 23.947 31.069 7.373 1.00 0.71 H new ATOM 0 HB3 ASN A 106 23.280 32.615 7.858 1.00 0.71 H new ATOM 0 HD21 ASN A 106 26.394 33.828 9.254 1.00 1.15 H new ATOM 0 HD22 ASN A 106 24.638 34.001 9.343 1.00 1.15 H new ATOM 1528 N PHE A 107 24.514 29.090 8.972 1.00 0.83 N ATOM 1529 CA PHE A 107 25.257 27.861 9.368 1.00 0.92 C ATOM 1530 C PHE A 107 26.690 28.163 9.823 1.00 0.82 C ATOM 1531 O PHE A 107 27.524 27.280 9.858 1.00 0.92 O ATOM 1532 CB PHE A 107 25.265 26.883 8.202 1.00 1.12 C ATOM 1533 CG PHE A 107 25.216 27.639 6.899 1.00 1.90 C ATOM 1534 CD1 PHE A 107 23.982 28.031 6.364 1.00 2.71 C ATOM 1535 CD2 PHE A 107 26.401 27.942 6.222 1.00 2.70 C ATOM 1536 CE1 PHE A 107 23.935 28.728 5.152 1.00 3.77 C ATOM 1537 CE2 PHE A 107 26.355 28.638 5.010 1.00 3.78 C ATOM 1538 CZ PHE A 107 25.122 29.031 4.474 1.00 4.17 C ATOM 0 H PHE A 107 24.356 29.201 7.970 1.00 0.83 H new ATOM 0 HA PHE A 107 24.744 27.420 10.223 1.00 0.92 H new ATOM 0 HB2 PHE A 107 26.162 26.265 8.240 1.00 1.12 H new ATOM 0 HB3 PHE A 107 24.411 26.210 8.274 1.00 1.12 H new ATOM 0 HD1 PHE A 107 23.067 27.795 6.887 1.00 2.71 H new ATOM 0 HD2 PHE A 107 27.352 27.639 6.635 1.00 2.70 H new ATOM 0 HE1 PHE A 107 22.984 29.032 4.740 1.00 3.77 H new ATOM 0 HE2 PHE A 107 27.270 28.873 4.487 1.00 3.78 H new ATOM 0 HZ PHE A 107 25.087 29.568 3.538 1.00 4.17 H new ATOM 1548 N ARG A 108 26.991 29.377 10.201 1.00 0.68 N ATOM 1549 CA ARG A 108 28.375 29.668 10.684 1.00 0.64 C ATOM 1550 C ARG A 108 28.650 28.792 11.911 1.00 0.61 C ATOM 1551 O ARG A 108 28.082 27.731 12.073 1.00 0.74 O ATOM 1552 CB ARG A 108 28.514 31.146 11.073 1.00 0.59 C ATOM 1553 CG ARG A 108 28.430 32.039 9.842 1.00 0.74 C ATOM 1554 CD ARG A 108 29.551 33.077 9.876 1.00 1.12 C ATOM 1555 NE ARG A 108 29.449 33.945 8.671 1.00 1.44 N ATOM 1556 CZ ARG A 108 30.039 35.107 8.648 1.00 1.96 C ATOM 1557 NH1 ARG A 108 30.701 35.527 9.691 1.00 2.52 N ATOM 1558 NH2 ARG A 108 29.956 35.854 7.582 1.00 2.49 N ATOM 0 H ARG A 108 26.350 30.170 10.197 1.00 0.68 H new ATOM 0 HA ARG A 108 29.089 29.454 9.889 1.00 0.64 H new ATOM 0 HB2 ARG A 108 27.728 31.417 11.778 1.00 0.59 H new ATOM 0 HB3 ARG A 108 29.466 31.306 11.579 1.00 0.59 H new ATOM 0 HG2 ARG A 108 28.509 31.435 8.938 1.00 0.74 H new ATOM 0 HG3 ARG A 108 27.461 32.538 9.809 1.00 0.74 H new ATOM 0 HD2 ARG A 108 29.477 33.680 10.781 1.00 1.12 H new ATOM 0 HD3 ARG A 108 30.522 32.581 9.901 1.00 1.12 H new ATOM 0 HE ARG A 108 28.916 33.629 7.861 1.00 1.44 H new ATOM 0 HH11 ARG A 108 30.758 34.946 10.527 1.00 2.52 H new ATOM 0 HH12 ARG A 108 31.162 36.437 9.670 1.00 2.52 H new ATOM 0 HH21 ARG A 108 29.431 35.528 6.771 1.00 2.49 H new ATOM 0 HH22 ARG A 108 30.416 36.764 7.560 1.00 2.49 H new ATOM 1572 N GLU A 109 29.523 29.223 12.771 1.00 0.60 N ATOM 1573 CA GLU A 109 29.851 28.416 13.979 1.00 0.66 C ATOM 1574 C GLU A 109 28.570 27.889 14.643 1.00 0.54 C ATOM 1575 O GLU A 109 28.394 26.696 14.789 1.00 0.61 O ATOM 1576 CB GLU A 109 30.607 29.295 14.978 1.00 0.80 C ATOM 1577 CG GLU A 109 32.003 29.602 14.434 1.00 0.98 C ATOM 1578 CD GLU A 109 32.781 30.428 15.460 1.00 1.30 C ATOM 1579 OE1 GLU A 109 32.150 30.996 16.336 1.00 1.81 O ATOM 1580 OE2 GLU A 109 33.996 30.465 15.360 1.00 1.85 O ATOM 0 H GLU A 109 30.028 30.105 12.691 1.00 0.60 H new ATOM 0 HA GLU A 109 30.466 27.568 13.678 1.00 0.66 H new ATOM 0 HB2 GLU A 109 30.060 30.222 15.149 1.00 0.80 H new ATOM 0 HB3 GLU A 109 30.683 28.788 15.940 1.00 0.80 H new ATOM 0 HG2 GLU A 109 32.534 28.674 14.221 1.00 0.98 H new ATOM 0 HG3 GLU A 109 31.926 30.149 13.494 1.00 0.98 H new ATOM 1587 N TYR A 110 27.685 28.761 15.059 1.00 0.42 N ATOM 1588 CA TYR A 110 26.427 28.294 15.727 1.00 0.38 C ATOM 1589 C TYR A 110 25.239 29.116 15.227 1.00 0.34 C ATOM 1590 O TYR A 110 25.404 30.212 14.758 1.00 0.35 O ATOM 1591 CB TYR A 110 26.554 28.500 17.236 1.00 0.47 C ATOM 1592 CG TYR A 110 27.752 27.747 17.754 1.00 0.47 C ATOM 1593 CD1 TYR A 110 27.642 26.390 18.077 1.00 0.51 C ATOM 1594 CD2 TYR A 110 28.975 28.408 17.911 1.00 0.50 C ATOM 1595 CE1 TYR A 110 28.756 25.694 18.559 1.00 0.54 C ATOM 1596 CE2 TYR A 110 30.089 27.713 18.393 1.00 0.52 C ATOM 1597 CZ TYR A 110 29.980 26.356 18.717 1.00 0.51 C ATOM 1598 OH TYR A 110 31.079 25.671 19.193 1.00 0.56 O ATOM 0 H TYR A 110 27.777 29.773 14.966 1.00 0.42 H new ATOM 0 HA TYR A 110 26.271 27.240 15.497 1.00 0.38 H new ATOM 0 HB2 TYR A 110 26.655 29.562 17.460 1.00 0.47 H new ATOM 0 HB3 TYR A 110 25.650 28.153 17.737 1.00 0.47 H new ATOM 0 HD1 TYR A 110 26.698 25.880 17.954 1.00 0.51 H new ATOM 0 HD2 TYR A 110 29.059 29.455 17.660 1.00 0.50 H new ATOM 0 HE1 TYR A 110 28.672 24.647 18.809 1.00 0.54 H new ATOM 0 HE2 TYR A 110 31.033 28.223 18.515 1.00 0.52 H new ATOM 0 HH TYR A 110 31.847 26.278 19.241 1.00 0.56 H new ATOM 1608 N ASN A 111 24.042 28.604 15.350 1.00 0.36 N ATOM 1609 CA ASN A 111 22.840 29.378 14.905 1.00 0.35 C ATOM 1610 C ASN A 111 22.060 29.809 16.151 1.00 0.31 C ATOM 1611 O ASN A 111 21.629 28.987 16.936 1.00 0.31 O ATOM 1612 CB ASN A 111 21.954 28.492 14.027 1.00 0.40 C ATOM 1613 CG ASN A 111 21.479 29.254 12.791 1.00 1.25 C ATOM 1614 OD1 ASN A 111 21.443 30.468 12.779 1.00 2.07 O ATOM 1615 ND2 ASN A 111 21.089 28.577 11.747 1.00 1.95 N ATOM 0 H ASN A 111 23.843 27.683 15.739 1.00 0.36 H new ATOM 0 HA ASN A 111 23.146 30.252 14.329 1.00 0.35 H new ATOM 0 HB2 ASN A 111 22.508 27.605 13.722 1.00 0.40 H new ATOM 0 HB3 ASN A 111 21.093 28.148 14.601 1.00 0.40 H new ATOM 0 HD21 ASN A 111 20.753 29.067 10.918 1.00 1.95 H new ATOM 0 HD22 ASN A 111 21.120 27.558 11.759 1.00 1.95 H new ATOM 1622 N LEU A 112 21.888 31.085 16.354 1.00 0.30 N ATOM 1623 CA LEU A 112 21.152 31.548 17.566 1.00 0.29 C ATOM 1624 C LEU A 112 19.735 30.984 17.564 1.00 0.27 C ATOM 1625 O LEU A 112 19.230 30.557 18.583 1.00 0.27 O ATOM 1626 CB LEU A 112 21.116 33.089 17.579 1.00 0.33 C ATOM 1627 CG LEU A 112 20.310 33.656 18.773 1.00 0.35 C ATOM 1628 CD1 LEU A 112 21.022 33.425 20.118 1.00 0.37 C ATOM 1629 CD2 LEU A 112 20.152 35.166 18.576 1.00 0.41 C ATOM 0 H LEU A 112 22.223 31.825 15.737 1.00 0.30 H new ATOM 0 HA LEU A 112 21.662 31.193 18.461 1.00 0.29 H new ATOM 0 HB2 LEU A 112 22.136 33.472 17.619 1.00 0.33 H new ATOM 0 HB3 LEU A 112 20.678 33.446 16.647 1.00 0.33 H new ATOM 0 HG LEU A 112 19.349 33.143 18.802 1.00 0.35 H new ATOM 0 HD11 LEU A 112 20.418 33.840 20.925 1.00 0.37 H new ATOM 0 HD12 LEU A 112 21.157 32.356 20.279 1.00 0.37 H new ATOM 0 HD13 LEU A 112 21.995 33.916 20.104 1.00 0.37 H new ATOM 0 HD21 LEU A 112 19.586 35.584 19.408 1.00 0.41 H new ATOM 0 HD22 LEU A 112 21.136 35.633 18.536 1.00 0.41 H new ATOM 0 HD23 LEU A 112 19.621 35.358 17.644 1.00 0.41 H new ATOM 1641 N HIS A 113 19.081 30.984 16.441 1.00 0.27 N ATOM 1642 CA HIS A 113 17.696 30.453 16.412 1.00 0.28 C ATOM 1643 C HIS A 113 17.688 28.982 16.849 1.00 0.27 C ATOM 1644 O HIS A 113 16.809 28.553 17.569 1.00 0.27 O ATOM 1645 CB HIS A 113 17.119 30.573 15.004 1.00 0.30 C ATOM 1646 CG HIS A 113 15.710 30.068 15.032 1.00 0.32 C ATOM 1647 ND1 HIS A 113 15.273 29.025 14.236 1.00 0.90 N ATOM 1648 CD2 HIS A 113 14.631 30.449 15.780 1.00 0.64 C ATOM 1649 CE1 HIS A 113 13.976 28.816 14.525 1.00 0.73 C ATOM 1650 NE2 HIS A 113 13.533 29.659 15.460 1.00 0.40 N ATOM 0 H HIS A 113 19.441 31.325 15.550 1.00 0.27 H new ATOM 0 HA HIS A 113 17.083 31.035 17.101 1.00 0.28 H new ATOM 0 HB2 HIS A 113 17.145 31.610 14.670 1.00 0.30 H new ATOM 0 HB3 HIS A 113 17.716 29.996 14.298 1.00 0.30 H new ATOM 0 HD1 HIS A 113 15.831 28.509 13.555 1.00 0.90 H new ATOM 0 HD2 HIS A 113 14.632 31.245 16.510 1.00 0.64 H new ATOM 0 HE1 HIS A 113 13.366 28.057 14.057 1.00 0.73 H new ATOM 1658 N ARG A 114 18.655 28.201 16.432 1.00 0.30 N ATOM 1659 CA ARG A 114 18.668 26.762 16.853 1.00 0.33 C ATOM 1660 C ARG A 114 18.694 26.678 18.370 1.00 0.31 C ATOM 1661 O ARG A 114 17.956 25.930 18.978 1.00 0.31 O ATOM 1662 CB ARG A 114 19.935 26.050 16.368 1.00 0.41 C ATOM 1663 CG ARG A 114 19.647 25.118 15.180 1.00 1.20 C ATOM 1664 CD ARG A 114 20.874 24.215 14.947 1.00 1.37 C ATOM 1665 NE ARG A 114 20.534 23.053 14.057 1.00 2.06 N ATOM 1666 CZ ARG A 114 19.575 22.211 14.346 1.00 2.49 C ATOM 1667 NH1 ARG A 114 18.944 22.280 15.486 1.00 2.63 N ATOM 1668 NH2 ARG A 114 19.287 21.254 13.508 1.00 3.36 N ATOM 0 H ARG A 114 19.425 28.490 15.828 1.00 0.30 H new ATOM 0 HA ARG A 114 17.780 26.295 16.427 1.00 0.33 H new ATOM 0 HB2 ARG A 114 20.679 26.791 16.076 1.00 0.41 H new ATOM 0 HB3 ARG A 114 20.364 25.473 17.187 1.00 0.41 H new ATOM 0 HG2 ARG A 114 18.765 24.511 15.382 1.00 1.20 H new ATOM 0 HG3 ARG A 114 19.433 25.703 14.285 1.00 1.20 H new ATOM 0 HD2 ARG A 114 21.677 24.798 14.497 1.00 1.37 H new ATOM 0 HD3 ARG A 114 21.245 23.847 15.904 1.00 1.37 H new ATOM 0 HE ARG A 114 21.068 22.916 13.199 1.00 2.06 H new ATOM 0 HH11 ARG A 114 19.196 22.997 16.166 1.00 2.63 H new ATOM 0 HH12 ARG A 114 18.198 21.617 15.697 1.00 2.63 H new ATOM 0 HH21 ARG A 114 19.808 21.166 12.635 1.00 3.36 H new ATOM 0 HH22 ARG A 114 18.541 20.593 13.725 1.00 3.36 H new ATOM 1682 N VAL A 115 19.570 27.421 18.982 1.00 0.31 N ATOM 1683 CA VAL A 115 19.684 27.367 20.460 1.00 0.32 C ATOM 1684 C VAL A 115 18.437 27.998 21.076 1.00 0.29 C ATOM 1685 O VAL A 115 17.909 27.513 22.056 1.00 0.30 O ATOM 1686 CB VAL A 115 20.942 28.132 20.894 1.00 0.37 C ATOM 1687 CG1 VAL A 115 21.013 28.203 22.423 1.00 0.41 C ATOM 1688 CG2 VAL A 115 22.187 27.411 20.360 1.00 0.42 C ATOM 0 H VAL A 115 20.213 28.064 18.520 1.00 0.31 H new ATOM 0 HA VAL A 115 19.764 26.334 20.798 1.00 0.32 H new ATOM 0 HB VAL A 115 20.900 29.144 20.491 1.00 0.37 H new ATOM 0 HG11 VAL A 115 21.909 28.748 22.721 1.00 0.41 H new ATOM 0 HG12 VAL A 115 20.132 28.718 22.805 1.00 0.41 H new ATOM 0 HG13 VAL A 115 21.049 27.194 22.833 1.00 0.41 H new ATOM 0 HG21 VAL A 115 23.081 27.953 20.667 1.00 0.42 H new ATOM 0 HG22 VAL A 115 22.221 26.398 20.761 1.00 0.42 H new ATOM 0 HG23 VAL A 115 22.144 27.369 19.272 1.00 0.42 H new ATOM 1698 N ALA A 116 17.957 29.069 20.510 1.00 0.27 N ATOM 1699 CA ALA A 116 16.740 29.715 21.072 1.00 0.28 C ATOM 1700 C ALA A 116 15.598 28.696 21.115 1.00 0.26 C ATOM 1701 O ALA A 116 14.948 28.524 22.127 1.00 0.28 O ATOM 1702 CB ALA A 116 16.335 30.898 20.191 1.00 0.28 C ATOM 0 H ALA A 116 18.352 29.523 19.687 1.00 0.27 H new ATOM 0 HA ALA A 116 16.950 30.071 22.081 1.00 0.28 H new ATOM 0 HB1 ALA A 116 15.444 31.370 20.603 1.00 0.28 H new ATOM 0 HB2 ALA A 116 17.148 31.623 20.159 1.00 0.28 H new ATOM 0 HB3 ALA A 116 16.124 30.545 19.182 1.00 0.28 H new ATOM 1708 N ALA A 117 15.351 28.014 20.029 1.00 0.26 N ATOM 1709 CA ALA A 117 14.253 27.006 20.020 1.00 0.27 C ATOM 1710 C ALA A 117 14.524 25.957 21.099 1.00 0.25 C ATOM 1711 O ALA A 117 13.628 25.509 21.786 1.00 0.25 O ATOM 1712 CB ALA A 117 14.194 26.323 18.651 1.00 0.29 C ATOM 0 H ALA A 117 15.860 28.111 19.151 1.00 0.26 H new ATOM 0 HA ALA A 117 13.302 27.501 20.218 1.00 0.27 H new ATOM 0 HB1 ALA A 117 13.391 25.586 18.646 1.00 0.29 H new ATOM 0 HB2 ALA A 117 14.006 27.070 17.880 1.00 0.29 H new ATOM 0 HB3 ALA A 117 15.143 25.826 18.451 1.00 0.29 H new ATOM 1718 N HIS A 118 15.757 25.561 21.248 1.00 0.26 N ATOM 1719 CA HIS A 118 16.097 24.539 22.277 1.00 0.27 C ATOM 1720 C HIS A 118 15.710 25.061 23.665 1.00 0.26 C ATOM 1721 O HIS A 118 15.044 24.390 24.432 1.00 0.26 O ATOM 1722 CB HIS A 118 17.604 24.280 22.229 1.00 0.30 C ATOM 1723 CG HIS A 118 17.975 23.222 23.228 1.00 0.30 C ATOM 1724 ND1 HIS A 118 17.888 21.872 22.931 1.00 0.43 N ATOM 1725 CD2 HIS A 118 18.455 23.294 24.512 1.00 0.33 C ATOM 1726 CE1 HIS A 118 18.309 21.192 24.010 1.00 0.40 C ATOM 1727 NE2 HIS A 118 18.666 22.009 25.004 1.00 0.32 N ATOM 0 H HIS A 118 16.547 25.902 20.700 1.00 0.26 H new ATOM 0 HA HIS A 118 15.554 23.615 22.079 1.00 0.27 H new ATOM 0 HB2 HIS A 118 17.895 23.964 21.227 1.00 0.30 H new ATOM 0 HB3 HIS A 118 18.147 25.201 22.443 1.00 0.30 H new ATOM 0 HD1 HIS A 118 17.563 21.468 22.053 1.00 0.43 H new ATOM 0 HD2 HIS A 118 18.641 24.208 25.057 1.00 0.33 H new ATOM 0 HE1 HIS A 118 18.353 20.114 24.067 1.00 0.40 H new ATOM 1735 N GLU A 119 16.119 26.258 23.990 1.00 0.27 N ATOM 1736 CA GLU A 119 15.774 26.827 25.323 1.00 0.28 C ATOM 1737 C GLU A 119 14.258 26.973 25.444 1.00 0.25 C ATOM 1738 O GLU A 119 13.681 26.700 26.478 1.00 0.27 O ATOM 1739 CB GLU A 119 16.453 28.186 25.488 1.00 0.32 C ATOM 1740 CG GLU A 119 17.957 27.970 25.659 1.00 0.41 C ATOM 1741 CD GLU A 119 18.659 29.318 25.815 1.00 1.06 C ATOM 1742 OE1 GLU A 119 18.782 29.775 26.939 1.00 1.94 O ATOM 1743 OE2 GLU A 119 19.066 29.866 24.807 1.00 1.66 O ATOM 0 H GLU A 119 16.677 26.865 23.390 1.00 0.27 H new ATOM 0 HA GLU A 119 16.125 26.158 26.108 1.00 0.28 H new ATOM 0 HB2 GLU A 119 16.259 28.813 24.618 1.00 0.32 H new ATOM 0 HB3 GLU A 119 16.046 28.708 26.354 1.00 0.32 H new ATOM 0 HG2 GLU A 119 18.147 27.347 26.533 1.00 0.41 H new ATOM 0 HG3 GLU A 119 18.358 27.439 24.796 1.00 0.41 H new ATOM 1750 N LEU A 120 13.600 27.386 24.396 1.00 0.24 N ATOM 1751 CA LEU A 120 12.121 27.525 24.466 1.00 0.26 C ATOM 1752 C LEU A 120 11.505 26.149 24.725 1.00 0.27 C ATOM 1753 O LEU A 120 10.526 26.019 25.432 1.00 0.31 O ATOM 1754 CB LEU A 120 11.579 28.098 23.150 1.00 0.30 C ATOM 1755 CG LEU A 120 11.986 29.571 23.010 1.00 0.34 C ATOM 1756 CD1 LEU A 120 11.625 30.054 21.594 1.00 0.40 C ATOM 1757 CD2 LEU A 120 11.264 30.413 24.089 1.00 0.36 C ATOM 0 H LEU A 120 14.021 27.632 23.500 1.00 0.24 H new ATOM 0 HA LEU A 120 11.859 28.207 25.275 1.00 0.26 H new ATOM 0 HB2 LEU A 120 11.965 27.524 22.308 1.00 0.30 H new ATOM 0 HB3 LEU A 120 10.493 28.009 23.125 1.00 0.30 H new ATOM 0 HG LEU A 120 13.060 29.684 23.156 1.00 0.34 H new ATOM 0 HD11 LEU A 120 11.910 31.100 21.483 1.00 0.40 H new ATOM 0 HD12 LEU A 120 12.158 29.453 20.858 1.00 0.40 H new ATOM 0 HD13 LEU A 120 10.551 29.952 21.437 1.00 0.40 H new ATOM 0 HD21 LEU A 120 11.554 31.459 23.989 1.00 0.36 H new ATOM 0 HD22 LEU A 120 10.185 30.321 23.961 1.00 0.36 H new ATOM 0 HD23 LEU A 120 11.543 30.053 25.079 1.00 0.36 H new ATOM 1769 N GLY A 121 12.072 25.119 24.159 1.00 0.27 N ATOM 1770 CA GLY A 121 11.517 23.753 24.376 1.00 0.30 C ATOM 1771 C GLY A 121 11.548 23.421 25.870 1.00 0.30 C ATOM 1772 O GLY A 121 10.626 22.838 26.403 1.00 0.33 O ATOM 0 H GLY A 121 12.894 25.164 23.557 1.00 0.27 H new ATOM 0 HA2 GLY A 121 10.494 23.701 24.002 1.00 0.30 H new ATOM 0 HA3 GLY A 121 12.099 23.020 23.817 1.00 0.30 H new ATOM 1776 N HIS A 122 12.597 23.793 26.554 1.00 0.28 N ATOM 1777 CA HIS A 122 12.672 23.500 28.015 1.00 0.30 C ATOM 1778 C HIS A 122 11.605 24.310 28.756 1.00 0.31 C ATOM 1779 O HIS A 122 10.971 23.825 29.673 1.00 0.34 O ATOM 1780 CB HIS A 122 14.057 23.872 28.550 1.00 0.31 C ATOM 1781 CG HIS A 122 15.055 22.833 28.123 1.00 0.34 C ATOM 1782 ND1 HIS A 122 14.955 21.509 28.519 1.00 0.52 N ATOM 1783 CD2 HIS A 122 16.182 22.907 27.342 1.00 0.33 C ATOM 1784 CE1 HIS A 122 15.993 20.845 27.980 1.00 0.51 C ATOM 1785 NE2 HIS A 122 16.773 21.650 27.253 1.00 0.37 N ATOM 0 H HIS A 122 13.402 24.285 26.166 1.00 0.28 H new ATOM 0 HA HIS A 122 12.499 22.436 28.175 1.00 0.30 H new ATOM 0 HB2 HIS A 122 14.353 24.852 28.174 1.00 0.31 H new ATOM 0 HB3 HIS A 122 14.032 23.942 29.637 1.00 0.31 H new ATOM 0 HD1 HIS A 122 14.227 21.110 29.112 1.00 0.52 H new ATOM 0 HD2 HIS A 122 16.553 23.804 26.869 1.00 0.33 H new ATOM 0 HE1 HIS A 122 16.174 19.789 28.118 1.00 0.51 H new ATOM 1793 N SER A 123 11.400 25.538 28.367 1.00 0.29 N ATOM 1794 CA SER A 123 10.373 26.372 29.053 1.00 0.31 C ATOM 1795 C SER A 123 8.993 25.740 28.857 1.00 0.31 C ATOM 1796 O SER A 123 8.094 25.934 29.650 1.00 0.36 O ATOM 1797 CB SER A 123 10.379 27.783 28.465 1.00 0.32 C ATOM 1798 OG SER A 123 9.916 27.734 27.123 1.00 1.30 O ATOM 0 H SER A 123 11.898 25.999 27.606 1.00 0.29 H new ATOM 0 HA SER A 123 10.601 26.426 30.117 1.00 0.31 H new ATOM 0 HB2 SER A 123 9.742 28.439 29.058 1.00 0.32 H new ATOM 0 HB3 SER A 123 11.386 28.200 28.500 1.00 0.32 H new ATOM 0 HG SER A 123 10.162 26.874 26.723 1.00 1.30 H new ATOM 1804 N LEU A 124 8.819 24.983 27.807 1.00 0.28 N ATOM 1805 CA LEU A 124 7.496 24.338 27.569 1.00 0.30 C ATOM 1806 C LEU A 124 7.414 23.043 28.380 1.00 0.32 C ATOM 1807 O LEU A 124 6.394 22.384 28.414 1.00 0.36 O ATOM 1808 CB LEU A 124 7.335 24.023 26.078 1.00 0.27 C ATOM 1809 CG LEU A 124 7.304 25.327 25.266 1.00 0.28 C ATOM 1810 CD1 LEU A 124 7.314 25.003 23.769 1.00 0.30 C ATOM 1811 CD2 LEU A 124 6.037 26.128 25.594 1.00 0.33 C ATOM 0 H LEU A 124 9.533 24.784 27.106 1.00 0.28 H new ATOM 0 HA LEU A 124 6.700 25.015 27.879 1.00 0.30 H new ATOM 0 HB2 LEU A 124 8.158 23.394 25.740 1.00 0.27 H new ATOM 0 HB3 LEU A 124 6.416 23.461 25.914 1.00 0.27 H new ATOM 0 HG LEU A 124 8.182 25.919 25.524 1.00 0.28 H new ATOM 0 HD11 LEU A 124 7.292 25.930 23.196 1.00 0.30 H new ATOM 0 HD12 LEU A 124 8.218 24.446 23.523 1.00 0.30 H new ATOM 0 HD13 LEU A 124 6.439 24.402 23.521 1.00 0.30 H new ATOM 0 HD21 LEU A 124 6.028 27.049 25.012 1.00 0.33 H new ATOM 0 HD22 LEU A 124 5.157 25.534 25.347 1.00 0.33 H new ATOM 0 HD23 LEU A 124 6.025 26.370 26.657 1.00 0.33 H new ATOM 1823 N GLY A 125 8.479 22.677 29.044 1.00 0.33 N ATOM 1824 CA GLY A 125 8.453 21.430 29.864 1.00 0.37 C ATOM 1825 C GLY A 125 8.899 20.232 29.021 1.00 0.36 C ATOM 1826 O GLY A 125 8.744 19.095 29.419 1.00 0.43 O ATOM 0 H GLY A 125 9.363 23.186 29.054 1.00 0.33 H new ATOM 0 HA2 GLY A 125 9.109 21.540 30.727 1.00 0.37 H new ATOM 0 HA3 GLY A 125 7.447 21.259 30.248 1.00 0.37 H new ATOM 1830 N LEU A 126 9.452 20.471 27.863 1.00 0.31 N ATOM 1831 CA LEU A 126 9.903 19.333 27.009 1.00 0.32 C ATOM 1832 C LEU A 126 11.252 18.819 27.519 1.00 0.37 C ATOM 1833 O LEU A 126 12.016 19.548 28.123 1.00 0.43 O ATOM 1834 CB LEU A 126 10.050 19.797 25.556 1.00 0.28 C ATOM 1835 CG LEU A 126 8.703 20.316 25.018 1.00 0.26 C ATOM 1836 CD1 LEU A 126 8.903 20.952 23.636 1.00 0.28 C ATOM 1837 CD2 LEU A 126 7.702 19.161 24.876 1.00 0.30 C ATOM 0 H LEU A 126 9.611 21.400 27.472 1.00 0.31 H new ATOM 0 HA LEU A 126 9.164 18.534 27.056 1.00 0.32 H new ATOM 0 HB2 LEU A 126 10.801 20.584 25.493 1.00 0.28 H new ATOM 0 HB3 LEU A 126 10.402 18.971 24.938 1.00 0.28 H new ATOM 0 HG LEU A 126 8.318 21.054 25.722 1.00 0.26 H new ATOM 0 HD11 LEU A 126 7.947 21.317 23.262 1.00 0.28 H new ATOM 0 HD12 LEU A 126 9.603 21.784 23.716 1.00 0.28 H new ATOM 0 HD13 LEU A 126 9.302 20.208 22.947 1.00 0.28 H new ATOM 0 HD21 LEU A 126 6.756 19.545 24.495 1.00 0.30 H new ATOM 0 HD22 LEU A 126 8.098 18.419 24.183 1.00 0.30 H new ATOM 0 HD23 LEU A 126 7.540 18.698 25.849 1.00 0.30 H new ATOM 1849 N SER A 127 11.536 17.563 27.285 1.00 0.39 N ATOM 1850 CA SER A 127 12.823 16.966 27.754 1.00 0.46 C ATOM 1851 C SER A 127 13.677 16.545 26.555 1.00 0.43 C ATOM 1852 O SER A 127 13.191 16.379 25.454 1.00 0.42 O ATOM 1853 CB SER A 127 12.524 15.741 28.616 1.00 0.54 C ATOM 1854 OG SER A 127 11.966 16.164 29.853 1.00 0.63 O ATOM 0 H SER A 127 10.924 16.919 26.784 1.00 0.39 H new ATOM 0 HA SER A 127 13.369 17.707 28.337 1.00 0.46 H new ATOM 0 HB2 SER A 127 11.831 15.078 28.099 1.00 0.54 H new ATOM 0 HB3 SER A 127 13.438 15.173 28.791 1.00 0.54 H new ATOM 0 HG SER A 127 11.771 15.381 30.409 1.00 0.63 H new ATOM 1860 N HIS A 128 14.953 16.369 26.771 1.00 0.48 N ATOM 1861 CA HIS A 128 15.861 15.955 25.663 1.00 0.48 C ATOM 1862 C HIS A 128 15.360 14.653 25.034 1.00 0.48 C ATOM 1863 O HIS A 128 14.455 14.017 25.537 1.00 0.52 O ATOM 1864 CB HIS A 128 17.268 15.745 26.222 1.00 0.53 C ATOM 1865 CG HIS A 128 17.773 17.045 26.778 1.00 0.53 C ATOM 1866 ND1 HIS A 128 18.461 17.124 27.978 1.00 1.08 N ATOM 1867 CD2 HIS A 128 17.692 18.330 26.307 1.00 0.57 C ATOM 1868 CE1 HIS A 128 18.764 18.418 28.186 1.00 0.95 C ATOM 1869 NE2 HIS A 128 18.319 19.197 27.196 1.00 0.49 N ATOM 0 H HIS A 128 15.408 16.495 27.675 1.00 0.48 H new ATOM 0 HA HIS A 128 15.878 16.733 24.899 1.00 0.48 H new ATOM 0 HB2 HIS A 128 17.254 14.983 27.001 1.00 0.53 H new ATOM 0 HB3 HIS A 128 17.935 15.387 25.438 1.00 0.53 H new ATOM 0 HD1 HIS A 128 18.695 16.344 28.592 1.00 1.08 H new ATOM 0 HD2 HIS A 128 17.214 18.625 25.385 1.00 0.57 H new ATOM 0 HE1 HIS A 128 19.302 18.783 29.049 1.00 0.95 H new ATOM 1877 N SER A 129 15.938 14.258 23.932 1.00 0.48 N ATOM 1878 CA SER A 129 15.495 13.003 23.262 1.00 0.52 C ATOM 1879 C SER A 129 16.673 12.384 22.502 1.00 0.53 C ATOM 1880 O SER A 129 17.677 13.026 22.265 1.00 0.53 O ATOM 1881 CB SER A 129 14.364 13.320 22.283 1.00 0.56 C ATOM 1882 OG SER A 129 13.864 12.107 21.736 1.00 0.63 O ATOM 0 H SER A 129 16.699 14.752 23.466 1.00 0.48 H new ATOM 0 HA SER A 129 15.138 12.297 24.012 1.00 0.52 H new ATOM 0 HB2 SER A 129 13.566 13.859 22.793 1.00 0.56 H new ATOM 0 HB3 SER A 129 14.728 13.969 21.486 1.00 0.56 H new ATOM 0 HG SER A 129 12.990 12.270 21.324 1.00 0.63 H new ATOM 1888 N THR A 130 16.558 11.136 22.130 1.00 0.58 N ATOM 1889 CA THR A 130 17.671 10.461 21.396 1.00 0.62 C ATOM 1890 C THR A 130 17.387 10.477 19.893 1.00 0.62 C ATOM 1891 O THR A 130 18.062 9.829 19.118 1.00 0.65 O ATOM 1892 CB THR A 130 17.784 9.012 21.872 1.00 0.71 C ATOM 1893 OG1 THR A 130 16.591 8.314 21.543 1.00 0.75 O ATOM 1894 CG2 THR A 130 17.990 8.987 23.387 1.00 0.76 C ATOM 0 H THR A 130 15.739 10.553 22.303 1.00 0.58 H new ATOM 0 HA THR A 130 18.604 10.990 21.592 1.00 0.62 H new ATOM 0 HB THR A 130 18.633 8.533 21.384 1.00 0.71 H new ATOM 0 HG1 THR A 130 16.662 7.385 21.846 1.00 0.75 H new ATOM 0 HG21 THR A 130 18.071 7.954 23.726 1.00 0.76 H new ATOM 0 HG22 THR A 130 18.905 9.524 23.639 1.00 0.76 H new ATOM 0 HG23 THR A 130 17.142 9.465 23.877 1.00 0.76 H new ATOM 1902 N ASP A 131 16.395 11.208 19.474 1.00 0.59 N ATOM 1903 CA ASP A 131 16.070 11.260 18.022 1.00 0.61 C ATOM 1904 C ASP A 131 16.977 12.287 17.339 1.00 0.57 C ATOM 1905 O ASP A 131 16.973 13.449 17.674 1.00 0.53 O ATOM 1906 CB ASP A 131 14.605 11.676 17.852 1.00 0.64 C ATOM 1907 CG ASP A 131 14.217 11.620 16.373 1.00 0.69 C ATOM 1908 OD1 ASP A 131 15.108 11.489 15.551 1.00 1.33 O ATOM 1909 OD2 ASP A 131 13.034 11.710 16.089 1.00 1.24 O ATOM 0 H ASP A 131 15.794 11.773 20.074 1.00 0.59 H new ATOM 0 HA ASP A 131 16.227 10.280 17.571 1.00 0.61 H new ATOM 0 HB2 ASP A 131 13.960 11.015 18.431 1.00 0.64 H new ATOM 0 HB3 ASP A 131 14.457 12.685 18.238 1.00 0.64 H new ATOM 1914 N ILE A 132 17.757 11.878 16.381 1.00 0.60 N ATOM 1915 CA ILE A 132 18.642 12.860 15.697 1.00 0.58 C ATOM 1916 C ILE A 132 17.784 13.952 15.054 1.00 0.56 C ATOM 1917 O ILE A 132 18.144 15.112 15.044 1.00 0.54 O ATOM 1918 CB ILE A 132 19.492 12.158 14.630 1.00 0.65 C ATOM 1919 CG1 ILE A 132 20.678 11.463 15.325 1.00 1.23 C ATOM 1920 CG2 ILE A 132 20.000 13.197 13.622 1.00 1.13 C ATOM 1921 CD1 ILE A 132 21.340 10.435 14.395 1.00 1.34 C ATOM 0 H ILE A 132 17.821 10.917 16.044 1.00 0.60 H new ATOM 0 HA ILE A 132 19.313 13.310 16.429 1.00 0.58 H new ATOM 0 HB ILE A 132 18.898 11.415 14.098 1.00 0.65 H new ATOM 0 HG12 ILE A 132 21.413 12.209 15.629 1.00 1.23 H new ATOM 0 HG13 ILE A 132 20.332 10.967 16.232 1.00 1.23 H new ATOM 0 HG21 ILE A 132 20.605 12.702 12.862 1.00 1.13 H new ATOM 0 HG22 ILE A 132 19.151 13.688 13.147 1.00 1.13 H new ATOM 0 HG23 ILE A 132 20.606 13.940 14.140 1.00 1.13 H new ATOM 0 HD11 ILE A 132 22.174 9.960 14.912 1.00 1.34 H new ATOM 0 HD12 ILE A 132 20.610 9.677 14.112 1.00 1.34 H new ATOM 0 HD13 ILE A 132 21.707 10.937 13.500 1.00 1.34 H new ATOM 1933 N GLY A 133 16.658 13.588 14.505 1.00 0.59 N ATOM 1934 CA GLY A 133 15.785 14.603 13.848 1.00 0.60 C ATOM 1935 C GLY A 133 15.118 15.506 14.893 1.00 0.55 C ATOM 1936 O GLY A 133 14.301 16.341 14.557 1.00 0.56 O ATOM 0 H GLY A 133 16.304 12.632 14.483 1.00 0.59 H new ATOM 0 HA2 GLY A 133 16.377 15.209 13.162 1.00 0.60 H new ATOM 0 HA3 GLY A 133 15.021 14.102 13.253 1.00 0.60 H new ATOM 1940 N ALA A 134 15.459 15.365 16.151 1.00 0.50 N ATOM 1941 CA ALA A 134 14.835 16.242 17.192 1.00 0.47 C ATOM 1942 C ALA A 134 15.767 17.417 17.481 1.00 0.43 C ATOM 1943 O ALA A 134 16.955 17.248 17.655 1.00 0.43 O ATOM 1944 CB ALA A 134 14.604 15.458 18.488 1.00 0.47 C ATOM 0 H ALA A 134 16.136 14.687 16.500 1.00 0.50 H new ATOM 0 HA ALA A 134 13.876 16.601 16.820 1.00 0.47 H new ATOM 0 HB1 ALA A 134 14.150 16.112 19.233 1.00 0.47 H new ATOM 0 HB2 ALA A 134 13.940 14.616 18.291 1.00 0.47 H new ATOM 0 HB3 ALA A 134 15.558 15.087 18.864 1.00 0.47 H new ATOM 1950 N LEU A 135 15.243 18.608 17.532 1.00 0.42 N ATOM 1951 CA LEU A 135 16.113 19.783 17.813 1.00 0.40 C ATOM 1952 C LEU A 135 16.569 19.725 19.268 1.00 0.38 C ATOM 1953 O LEU A 135 17.596 20.264 19.632 1.00 0.39 O ATOM 1954 CB LEU A 135 15.332 21.084 17.566 1.00 0.41 C ATOM 1955 CG LEU A 135 14.741 21.105 16.141 1.00 0.45 C ATOM 1956 CD1 LEU A 135 13.724 22.242 16.040 1.00 0.51 C ATOM 1957 CD2 LEU A 135 15.830 21.345 15.082 1.00 0.48 C ATOM 0 H LEU A 135 14.255 18.819 17.392 1.00 0.42 H new ATOM 0 HA LEU A 135 16.980 19.762 17.153 1.00 0.40 H new ATOM 0 HB2 LEU A 135 14.530 21.177 18.299 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.991 21.941 17.704 1.00 0.41 H new ATOM 0 HG LEU A 135 14.276 20.137 15.956 1.00 0.45 H new ATOM 0 HD11 LEU A 135 13.301 22.264 15.036 1.00 0.51 H new ATOM 0 HD12 LEU A 135 12.927 22.082 16.766 1.00 0.51 H new ATOM 0 HD13 LEU A 135 14.218 23.191 16.247 1.00 0.51 H new ATOM 0 HD21 LEU A 135 15.378 21.354 14.090 1.00 0.48 H new ATOM 0 HD22 LEU A 135 16.314 22.304 15.268 1.00 0.48 H new ATOM 0 HD23 LEU A 135 16.572 20.548 15.136 1.00 0.48 H new ATOM 1969 N MET A 136 15.814 19.074 20.103 1.00 0.38 N ATOM 1970 CA MET A 136 16.196 18.974 21.536 1.00 0.40 C ATOM 1971 C MET A 136 17.381 18.014 21.674 1.00 0.40 C ATOM 1972 O MET A 136 17.675 17.530 22.749 1.00 0.44 O ATOM 1973 CB MET A 136 15.008 18.430 22.333 1.00 0.45 C ATOM 1974 CG MET A 136 13.797 19.352 22.154 1.00 0.68 C ATOM 1975 SD MET A 136 14.178 21.013 22.772 1.00 1.16 S ATOM 1976 CE MET A 136 14.123 20.642 24.542 1.00 0.48 C ATOM 0 H MET A 136 14.944 18.604 19.854 1.00 0.38 H new ATOM 0 HA MET A 136 16.475 19.957 21.915 1.00 0.40 H new ATOM 0 HB2 MET A 136 14.763 17.423 21.996 1.00 0.45 H new ATOM 0 HB3 MET A 136 15.269 18.358 23.389 1.00 0.45 H new ATOM 0 HG2 MET A 136 13.522 19.402 21.101 1.00 0.68 H new ATOM 0 HG3 MET A 136 12.939 18.945 22.689 1.00 0.68 H new ATOM 0 HE1 MET A 136 13.960 21.563 25.102 1.00 0.48 H new ATOM 0 HE2 MET A 136 13.308 19.946 24.743 1.00 0.48 H new ATOM 0 HE3 MET A 136 15.067 20.193 24.849 1.00 0.48 H new ATOM 1986 N TYR A 137 18.054 17.720 20.593 1.00 0.42 N ATOM 1987 CA TYR A 137 19.204 16.775 20.672 1.00 0.45 C ATOM 1988 C TYR A 137 20.330 17.405 21.524 1.00 0.46 C ATOM 1989 O TYR A 137 20.642 18.566 21.349 1.00 0.53 O ATOM 1990 CB TYR A 137 19.740 16.501 19.265 1.00 0.54 C ATOM 1991 CG TYR A 137 20.518 15.208 19.274 1.00 0.59 C ATOM 1992 CD1 TYR A 137 19.837 13.988 19.336 1.00 0.66 C ATOM 1993 CD2 TYR A 137 21.916 15.227 19.223 1.00 0.69 C ATOM 1994 CE1 TYR A 137 20.553 12.786 19.346 1.00 0.73 C ATOM 1995 CE2 TYR A 137 22.633 14.026 19.234 1.00 0.75 C ATOM 1996 CZ TYR A 137 21.952 12.805 19.295 1.00 0.72 C ATOM 1997 OH TYR A 137 22.659 11.621 19.306 1.00 0.80 O ATOM 0 H TYR A 137 17.858 18.092 19.664 1.00 0.42 H new ATOM 0 HA TYR A 137 18.872 15.842 21.128 1.00 0.45 H new ATOM 0 HB2 TYR A 137 18.916 16.438 18.555 1.00 0.54 H new ATOM 0 HB3 TYR A 137 20.379 17.322 18.940 1.00 0.54 H new ATOM 0 HD1 TYR A 137 18.758 13.974 19.376 1.00 0.66 H new ATOM 0 HD2 TYR A 137 22.442 16.169 19.175 1.00 0.69 H new ATOM 0 HE1 TYR A 137 20.027 11.844 19.393 1.00 0.73 H new ATOM 0 HE2 TYR A 137 23.712 14.041 19.195 1.00 0.75 H new ATOM 0 HH TYR A 137 23.619 11.813 19.264 1.00 0.80 H new ATOM 2007 N PRO A 138 20.948 16.672 22.438 1.00 0.49 N ATOM 2008 CA PRO A 138 22.039 17.258 23.270 1.00 0.59 C ATOM 2009 C PRO A 138 23.220 17.779 22.439 1.00 0.66 C ATOM 2010 O PRO A 138 23.775 18.821 22.724 1.00 1.07 O ATOM 2011 CB PRO A 138 22.485 16.077 24.133 1.00 0.66 C ATOM 2012 CG PRO A 138 21.663 14.841 23.753 1.00 0.64 C ATOM 2013 CD PRO A 138 20.618 15.243 22.712 1.00 0.54 C ATOM 0 HA PRO A 138 21.693 18.126 23.832 1.00 0.59 H new ATOM 0 HB2 PRO A 138 23.547 15.883 23.985 1.00 0.66 H new ATOM 0 HB3 PRO A 138 22.348 16.310 25.189 1.00 0.66 H new ATOM 0 HG2 PRO A 138 22.314 14.064 23.353 1.00 0.64 H new ATOM 0 HG3 PRO A 138 21.176 14.426 24.635 1.00 0.64 H new ATOM 0 HD2 PRO A 138 20.690 14.633 21.812 1.00 0.54 H new ATOM 0 HD3 PRO A 138 19.603 15.129 23.094 1.00 0.54 H new ATOM 2021 N SER A 139 23.619 17.059 21.426 1.00 0.69 N ATOM 2022 CA SER A 139 24.776 17.515 20.600 1.00 0.76 C ATOM 2023 C SER A 139 24.297 18.489 19.518 1.00 0.68 C ATOM 2024 O SER A 139 23.265 18.303 18.908 1.00 0.73 O ATOM 2025 CB SER A 139 25.438 16.303 19.942 1.00 0.93 C ATOM 2026 OG SER A 139 26.836 16.535 19.830 1.00 1.74 O ATOM 0 H SER A 139 23.196 16.178 21.134 1.00 0.69 H new ATOM 0 HA SER A 139 25.496 18.023 21.241 1.00 0.76 H new ATOM 0 HB2 SER A 139 25.253 15.407 20.534 1.00 0.93 H new ATOM 0 HB3 SER A 139 25.006 16.129 18.956 1.00 0.93 H new ATOM 0 HG SER A 139 27.264 15.760 19.410 1.00 1.74 H new ATOM 2032 N TYR A 140 25.043 19.529 19.272 1.00 0.61 N ATOM 2033 CA TYR A 140 24.631 20.511 18.228 1.00 0.56 C ATOM 2034 C TYR A 140 24.760 19.868 16.843 1.00 0.64 C ATOM 2035 O TYR A 140 25.661 19.092 16.592 1.00 0.78 O ATOM 2036 CB TYR A 140 25.534 21.743 18.299 1.00 0.54 C ATOM 2037 CG TYR A 140 25.090 22.746 17.263 1.00 0.54 C ATOM 2038 CD1 TYR A 140 25.617 22.693 15.968 1.00 0.61 C ATOM 2039 CD2 TYR A 140 24.152 23.729 17.598 1.00 0.54 C ATOM 2040 CE1 TYR A 140 25.206 23.624 15.007 1.00 0.66 C ATOM 2041 CE2 TYR A 140 23.740 24.661 16.638 1.00 0.58 C ATOM 2042 CZ TYR A 140 24.268 24.608 15.342 1.00 0.62 C ATOM 2043 OH TYR A 140 23.864 25.526 14.394 1.00 0.70 O ATOM 0 H TYR A 140 25.920 19.743 19.748 1.00 0.61 H new ATOM 0 HA TYR A 140 23.596 20.807 18.399 1.00 0.56 H new ATOM 0 HB2 TYR A 140 25.487 22.186 19.294 1.00 0.54 H new ATOM 0 HB3 TYR A 140 26.572 21.458 18.125 1.00 0.54 H new ATOM 0 HD1 TYR A 140 26.341 21.934 15.710 1.00 0.61 H new ATOM 0 HD2 TYR A 140 23.746 23.769 18.598 1.00 0.54 H new ATOM 0 HE1 TYR A 140 25.612 23.583 14.007 1.00 0.66 H new ATOM 0 HE2 TYR A 140 23.016 25.420 16.896 1.00 0.58 H new ATOM 0 HH TYR A 140 23.911 25.119 13.504 1.00 0.70 H new ATOM 2053 N THR A 141 23.867 20.182 15.941 1.00 0.62 N ATOM 2054 CA THR A 141 23.943 19.586 14.573 1.00 0.76 C ATOM 2055 C THR A 141 23.308 20.547 13.562 1.00 0.80 C ATOM 2056 O THR A 141 22.257 21.106 13.805 1.00 0.88 O ATOM 2057 CB THR A 141 23.178 18.260 14.559 1.00 0.87 C ATOM 2058 OG1 THR A 141 21.871 18.467 15.074 1.00 0.90 O ATOM 2059 CG2 THR A 141 23.910 17.230 15.423 1.00 1.02 C ATOM 0 H THR A 141 23.089 20.824 16.092 1.00 0.62 H new ATOM 0 HA THR A 141 24.986 19.413 14.306 1.00 0.76 H new ATOM 0 HB THR A 141 23.115 17.889 13.536 1.00 0.87 H new ATOM 0 HG1 THR A 141 21.378 17.620 15.065 1.00 0.90 H new ATOM 0 HG21 THR A 141 23.361 16.288 15.410 1.00 1.02 H new ATOM 0 HG22 THR A 141 24.913 17.071 15.028 1.00 1.02 H new ATOM 0 HG23 THR A 141 23.977 17.596 16.447 1.00 1.02 H new ATOM 2067 N PHE A 142 23.934 20.748 12.430 1.00 1.05 N ATOM 2068 CA PHE A 142 23.350 21.679 11.420 1.00 1.18 C ATOM 2069 C PHE A 142 22.314 20.939 10.567 1.00 0.97 C ATOM 2070 O PHE A 142 22.629 20.021 9.834 1.00 1.09 O ATOM 2071 CB PHE A 142 24.473 22.243 10.527 1.00 1.65 C ATOM 2072 CG PHE A 142 23.937 23.031 9.326 1.00 1.43 C ATOM 2073 CD1 PHE A 142 22.624 23.555 9.286 1.00 1.84 C ATOM 2074 CD2 PHE A 142 24.787 23.235 8.227 1.00 1.89 C ATOM 2075 CE1 PHE A 142 22.183 24.261 8.159 1.00 1.90 C ATOM 2076 CE2 PHE A 142 24.337 23.942 7.104 1.00 2.09 C ATOM 2077 CZ PHE A 142 23.036 24.451 7.070 1.00 1.75 C ATOM 0 H PHE A 142 24.817 20.311 12.164 1.00 1.05 H new ATOM 0 HA PHE A 142 22.856 22.505 11.932 1.00 1.18 H new ATOM 0 HB2 PHE A 142 25.115 22.891 11.124 1.00 1.65 H new ATOM 0 HB3 PHE A 142 25.094 21.422 10.169 1.00 1.65 H new ATOM 0 HD1 PHE A 142 21.960 23.411 10.126 1.00 1.84 H new ATOM 0 HD2 PHE A 142 25.794 22.845 8.247 1.00 1.89 H new ATOM 0 HE1 PHE A 142 21.180 24.660 8.132 1.00 1.90 H new ATOM 0 HE2 PHE A 142 24.997 24.094 6.263 1.00 2.09 H new ATOM 0 HZ PHE A 142 22.690 24.991 6.201 1.00 1.75 H new ATOM 2087 N SER A 143 21.085 21.369 10.645 1.00 1.05 N ATOM 2088 CA SER A 143 19.999 20.760 9.835 1.00 1.21 C ATOM 2089 C SER A 143 19.566 21.796 8.794 1.00 1.18 C ATOM 2090 O SER A 143 19.092 22.854 9.154 1.00 1.95 O ATOM 2091 CB SER A 143 18.820 20.428 10.750 1.00 1.70 C ATOM 2092 OG SER A 143 18.323 21.632 11.321 1.00 2.07 O ATOM 0 H SER A 143 20.784 22.133 11.250 1.00 1.05 H new ATOM 0 HA SER A 143 20.338 19.846 9.347 1.00 1.21 H new ATOM 0 HB2 SER A 143 18.034 19.927 10.185 1.00 1.70 H new ATOM 0 HB3 SER A 143 19.135 19.741 11.535 1.00 1.70 H new ATOM 0 HG SER A 143 18.725 22.401 10.865 1.00 2.07 H new ATOM 2098 N GLY A 144 19.755 21.504 7.523 1.00 1.01 N ATOM 2099 CA GLY A 144 19.387 22.467 6.424 1.00 1.04 C ATOM 2100 C GLY A 144 18.340 23.477 6.900 1.00 0.98 C ATOM 2101 O GLY A 144 18.664 24.584 7.283 1.00 1.42 O ATOM 0 H GLY A 144 20.155 20.625 7.195 1.00 1.01 H new ATOM 0 HA2 GLY A 144 20.279 22.995 6.086 1.00 1.04 H new ATOM 0 HA3 GLY A 144 19.000 21.915 5.568 1.00 1.04 H new ATOM 2105 N ASP A 145 17.092 23.099 6.899 1.00 0.79 N ATOM 2106 CA ASP A 145 16.026 24.030 7.370 1.00 0.82 C ATOM 2107 C ASP A 145 15.687 23.686 8.819 1.00 0.68 C ATOM 2108 O ASP A 145 15.761 22.543 9.222 1.00 0.65 O ATOM 2109 CB ASP A 145 14.776 23.861 6.504 1.00 1.04 C ATOM 2110 CG ASP A 145 15.086 24.279 5.066 1.00 1.64 C ATOM 2111 OD1 ASP A 145 15.563 23.443 4.317 1.00 2.22 O ATOM 2112 OD2 ASP A 145 14.832 25.426 4.736 1.00 2.39 O ATOM 0 H ASP A 145 16.763 22.184 6.592 1.00 0.79 H new ATOM 0 HA ASP A 145 16.374 25.060 7.298 1.00 0.82 H new ATOM 0 HB2 ASP A 145 14.443 22.823 6.528 1.00 1.04 H new ATOM 0 HB3 ASP A 145 13.962 24.467 6.902 1.00 1.04 H new ATOM 2117 N VAL A 146 15.317 24.658 9.607 1.00 0.66 N ATOM 2118 CA VAL A 146 14.976 24.365 11.026 1.00 0.57 C ATOM 2119 C VAL A 146 13.467 24.154 11.145 1.00 0.50 C ATOM 2120 O VAL A 146 12.693 25.088 11.074 1.00 0.53 O ATOM 2121 CB VAL A 146 15.404 25.544 11.908 1.00 0.68 C ATOM 2122 CG1 VAL A 146 15.011 25.267 13.364 1.00 0.67 C ATOM 2123 CG2 VAL A 146 16.924 25.723 11.809 1.00 0.78 C ATOM 0 H VAL A 146 15.237 25.637 9.331 1.00 0.66 H new ATOM 0 HA VAL A 146 15.497 23.465 11.352 1.00 0.57 H new ATOM 0 HB VAL A 146 14.907 26.453 11.570 1.00 0.68 H new ATOM 0 HG11 VAL A 146 15.316 26.106 13.989 1.00 0.67 H new ATOM 0 HG12 VAL A 146 13.931 25.138 13.431 1.00 0.67 H new ATOM 0 HG13 VAL A 146 15.506 24.359 13.708 1.00 0.67 H new ATOM 0 HG21 VAL A 146 17.233 26.560 12.435 1.00 0.78 H new ATOM 0 HG22 VAL A 146 17.420 24.814 12.148 1.00 0.78 H new ATOM 0 HG23 VAL A 146 17.200 25.922 10.774 1.00 0.78 H new ATOM 2133 N GLN A 147 13.050 22.928 11.335 1.00 0.44 N ATOM 2134 CA GLN A 147 11.594 22.633 11.473 1.00 0.41 C ATOM 2135 C GLN A 147 11.386 21.732 12.690 1.00 0.36 C ATOM 2136 O GLN A 147 12.301 21.082 13.154 1.00 0.37 O ATOM 2137 CB GLN A 147 11.080 21.919 10.219 1.00 0.44 C ATOM 2138 CG GLN A 147 11.158 22.864 9.018 1.00 0.50 C ATOM 2139 CD GLN A 147 10.568 22.174 7.786 1.00 1.11 C ATOM 2140 OE1 GLN A 147 10.322 20.984 7.801 1.00 1.73 O ATOM 2141 NE2 GLN A 147 10.327 22.876 6.712 1.00 1.76 N ATOM 0 H GLN A 147 13.661 22.114 11.401 1.00 0.44 H new ATOM 0 HA GLN A 147 11.045 23.566 11.598 1.00 0.41 H new ATOM 0 HB2 GLN A 147 11.673 21.025 10.029 1.00 0.44 H new ATOM 0 HB3 GLN A 147 10.051 21.593 10.371 1.00 0.44 H new ATOM 0 HG2 GLN A 147 10.612 23.783 9.229 1.00 0.50 H new ATOM 0 HG3 GLN A 147 12.194 23.145 8.829 1.00 0.50 H new ATOM 0 HE21 GLN A 147 10.533 23.875 6.699 1.00 1.76 H new ATOM 0 HE22 GLN A 147 9.932 22.426 5.886 1.00 1.76 H new ATOM 2150 N LEU A 148 10.194 21.689 13.214 1.00 0.34 N ATOM 2151 CA LEU A 148 9.941 20.830 14.404 1.00 0.33 C ATOM 2152 C LEU A 148 9.867 19.367 13.963 1.00 0.35 C ATOM 2153 O LEU A 148 9.617 19.070 12.812 1.00 0.40 O ATOM 2154 CB LEU A 148 8.615 21.227 15.059 1.00 0.33 C ATOM 2155 CG LEU A 148 8.656 22.702 15.488 1.00 0.33 C ATOM 2156 CD1 LEU A 148 7.255 23.118 15.960 1.00 0.35 C ATOM 2157 CD2 LEU A 148 9.679 22.893 16.625 1.00 0.35 C ATOM 0 H LEU A 148 9.386 22.209 12.872 1.00 0.34 H new ATOM 0 HA LEU A 148 10.751 20.961 15.122 1.00 0.33 H new ATOM 0 HB2 LEU A 148 7.794 21.066 14.361 1.00 0.33 H new ATOM 0 HB3 LEU A 148 8.425 20.594 15.926 1.00 0.33 H new ATOM 0 HG LEU A 148 8.959 23.324 14.645 1.00 0.33 H new ATOM 0 HD11 LEU A 148 7.270 24.164 16.268 1.00 0.35 H new ATOM 0 HD12 LEU A 148 6.543 22.990 15.144 1.00 0.35 H new ATOM 0 HD13 LEU A 148 6.956 22.496 16.804 1.00 0.35 H new ATOM 0 HD21 LEU A 148 9.701 23.941 16.922 1.00 0.35 H new ATOM 0 HD22 LEU A 148 9.392 22.280 17.479 1.00 0.35 H new ATOM 0 HD23 LEU A 148 10.668 22.593 16.279 1.00 0.35 H new ATOM 2169 N ALA A 149 10.080 18.455 14.875 1.00 0.33 N ATOM 2170 CA ALA A 149 10.025 17.005 14.524 1.00 0.36 C ATOM 2171 C ALA A 149 8.715 16.409 15.045 1.00 0.34 C ATOM 2172 O ALA A 149 8.096 16.942 15.946 1.00 0.33 O ATOM 2173 CB ALA A 149 11.208 16.282 15.170 1.00 0.40 C ATOM 0 H ALA A 149 10.291 18.653 15.853 1.00 0.33 H new ATOM 0 HA ALA A 149 10.074 16.887 13.442 1.00 0.36 H new ATOM 0 HB1 ALA A 149 11.170 15.223 14.915 1.00 0.40 H new ATOM 0 HB2 ALA A 149 12.141 16.710 14.803 1.00 0.40 H new ATOM 0 HB3 ALA A 149 11.157 16.397 16.253 1.00 0.40 H new ATOM 2179 N GLN A 150 8.282 15.313 14.483 1.00 0.36 N ATOM 2180 CA GLN A 150 7.006 14.694 14.943 1.00 0.37 C ATOM 2181 C GLN A 150 7.120 14.330 16.422 1.00 0.35 C ATOM 2182 O GLN A 150 6.200 14.527 17.192 1.00 0.35 O ATOM 2183 CB GLN A 150 6.729 13.429 14.131 1.00 0.43 C ATOM 2184 CG GLN A 150 5.403 12.814 14.583 1.00 0.49 C ATOM 2185 CD GLN A 150 5.055 11.633 13.678 1.00 0.97 C ATOM 2186 OE1 GLN A 150 5.834 11.257 12.824 1.00 1.41 O ATOM 2187 NE2 GLN A 150 3.908 11.029 13.826 1.00 1.46 N ATOM 0 H GLN A 150 8.756 14.820 13.726 1.00 0.36 H new ATOM 0 HA GLN A 150 6.190 15.403 14.803 1.00 0.37 H new ATOM 0 HB2 GLN A 150 6.688 13.668 13.068 1.00 0.43 H new ATOM 0 HB3 GLN A 150 7.539 12.713 14.266 1.00 0.43 H new ATOM 0 HG2 GLN A 150 5.478 12.483 15.619 1.00 0.49 H new ATOM 0 HG3 GLN A 150 4.611 13.562 14.544 1.00 0.49 H new ATOM 0 HE21 GLN A 150 3.254 11.344 14.543 1.00 1.46 H new ATOM 0 HE22 GLN A 150 3.665 10.241 13.225 1.00 1.46 H new ATOM 2196 N ASP A 151 8.243 13.812 16.832 1.00 0.35 N ATOM 2197 CA ASP A 151 8.406 13.452 18.264 1.00 0.36 C ATOM 2198 C ASP A 151 8.142 14.700 19.101 1.00 0.34 C ATOM 2199 O ASP A 151 7.553 14.638 20.162 1.00 0.36 O ATOM 2200 CB ASP A 151 9.832 12.951 18.511 1.00 0.40 C ATOM 2201 CG ASP A 151 9.999 12.581 19.986 1.00 0.44 C ATOM 2202 OD1 ASP A 151 9.158 11.857 20.494 1.00 1.15 O ATOM 2203 OD2 ASP A 151 10.966 13.026 20.582 1.00 1.17 O ATOM 0 H ASP A 151 9.051 13.623 16.239 1.00 0.35 H new ATOM 0 HA ASP A 151 7.707 12.662 18.538 1.00 0.36 H new ATOM 0 HB2 ASP A 151 10.037 12.084 17.883 1.00 0.40 H new ATOM 0 HB3 ASP A 151 10.552 13.722 18.236 1.00 0.40 H new ATOM 2208 N ASP A 152 8.569 15.838 18.625 1.00 0.32 N ATOM 2209 CA ASP A 152 8.338 17.093 19.384 1.00 0.32 C ATOM 2210 C ASP A 152 6.880 17.539 19.217 1.00 0.32 C ATOM 2211 O ASP A 152 6.251 17.977 20.160 1.00 0.33 O ATOM 2212 CB ASP A 152 9.274 18.180 18.851 1.00 0.34 C ATOM 2213 CG ASP A 152 10.705 17.892 19.311 1.00 0.38 C ATOM 2214 OD1 ASP A 152 11.361 17.086 18.671 1.00 1.14 O ATOM 2215 OD2 ASP A 152 11.123 18.486 20.291 1.00 1.16 O ATOM 0 H ASP A 152 9.068 15.950 17.742 1.00 0.32 H new ATOM 0 HA ASP A 152 8.538 16.923 20.442 1.00 0.32 H new ATOM 0 HB2 ASP A 152 9.230 18.211 17.762 1.00 0.34 H new ATOM 0 HB3 ASP A 152 8.955 19.158 19.211 1.00 0.34 H new ATOM 2220 N ILE A 153 6.330 17.441 18.029 1.00 0.31 N ATOM 2221 CA ILE A 153 4.912 17.875 17.841 1.00 0.34 C ATOM 2222 C ILE A 153 3.979 16.987 18.670 1.00 0.35 C ATOM 2223 O ILE A 153 3.152 17.462 19.418 1.00 0.37 O ATOM 2224 CB ILE A 153 4.510 17.785 16.361 1.00 0.37 C ATOM 2225 CG1 ILE A 153 5.307 18.842 15.573 1.00 0.41 C ATOM 2226 CG2 ILE A 153 2.997 18.060 16.252 1.00 0.40 C ATOM 2227 CD1 ILE A 153 5.255 18.569 14.059 1.00 0.88 C ATOM 0 H ILE A 153 6.795 17.085 17.194 1.00 0.31 H new ATOM 0 HA ILE A 153 4.825 18.910 18.171 1.00 0.34 H new ATOM 0 HB ILE A 153 4.727 16.798 15.953 1.00 0.37 H new ATOM 0 HG12 ILE A 153 4.904 19.833 15.780 1.00 0.41 H new ATOM 0 HG13 ILE A 153 6.344 18.843 15.909 1.00 0.41 H new ATOM 0 HG21 ILE A 153 2.691 18.001 15.208 1.00 0.40 H new ATOM 0 HG22 ILE A 153 2.450 17.318 16.833 1.00 0.40 H new ATOM 0 HG23 ILE A 153 2.779 19.056 16.638 1.00 0.40 H new ATOM 0 HD11 ILE A 153 5.827 19.333 13.532 1.00 0.88 H new ATOM 0 HD12 ILE A 153 5.682 17.588 13.851 1.00 0.88 H new ATOM 0 HD13 ILE A 153 4.219 18.593 13.720 1.00 0.88 H new ATOM 2239 N ASP A 154 4.095 15.700 18.539 1.00 0.36 N ATOM 2240 CA ASP A 154 3.205 14.801 19.321 1.00 0.40 C ATOM 2241 C ASP A 154 3.422 15.053 20.814 1.00 0.39 C ATOM 2242 O ASP A 154 2.496 15.026 21.600 1.00 0.42 O ATOM 2243 CB ASP A 154 3.508 13.342 18.972 1.00 0.44 C ATOM 2244 CG ASP A 154 3.032 13.058 17.544 1.00 0.47 C ATOM 2245 OD1 ASP A 154 2.181 13.792 17.067 1.00 1.18 O ATOM 2246 OD2 ASP A 154 3.527 12.114 16.951 1.00 1.17 O ATOM 0 H ASP A 154 4.764 15.231 17.928 1.00 0.36 H new ATOM 0 HA ASP A 154 2.163 15.005 19.074 1.00 0.40 H new ATOM 0 HB2 ASP A 154 4.578 13.150 19.057 1.00 0.44 H new ATOM 0 HB3 ASP A 154 3.007 12.676 19.675 1.00 0.44 H new ATOM 2251 N GLY A 155 4.642 15.288 21.212 1.00 0.37 N ATOM 2252 CA GLY A 155 4.925 15.533 22.655 1.00 0.39 C ATOM 2253 C GLY A 155 4.206 16.800 23.142 1.00 0.36 C ATOM 2254 O GLY A 155 3.501 16.777 24.132 1.00 0.37 O ATOM 0 H GLY A 155 5.457 15.321 20.599 1.00 0.37 H new ATOM 0 HA2 GLY A 155 4.601 14.676 23.245 1.00 0.39 H new ATOM 0 HA3 GLY A 155 5.999 15.637 22.807 1.00 0.39 H new ATOM 2258 N ILE A 156 4.381 17.909 22.468 1.00 0.33 N ATOM 2259 CA ILE A 156 3.708 19.164 22.922 1.00 0.32 C ATOM 2260 C ILE A 156 2.197 19.056 22.687 1.00 0.31 C ATOM 2261 O ILE A 156 1.406 19.510 23.489 1.00 0.33 O ATOM 2262 CB ILE A 156 4.293 20.373 22.168 1.00 0.32 C ATOM 2263 CG1 ILE A 156 3.812 21.686 22.803 1.00 0.32 C ATOM 2264 CG2 ILE A 156 3.849 20.341 20.708 1.00 0.33 C ATOM 2265 CD1 ILE A 156 4.491 21.919 24.159 1.00 0.35 C ATOM 0 H ILE A 156 4.956 18.000 21.630 1.00 0.33 H new ATOM 0 HA ILE A 156 3.883 19.305 23.989 1.00 0.32 H new ATOM 0 HB ILE A 156 5.380 20.319 22.227 1.00 0.32 H new ATOM 0 HG12 ILE A 156 4.030 22.519 22.135 1.00 0.32 H new ATOM 0 HG13 ILE A 156 2.730 21.657 22.934 1.00 0.32 H new ATOM 0 HG21 ILE A 156 4.267 21.199 20.182 1.00 0.33 H new ATOM 0 HG22 ILE A 156 4.202 19.422 20.240 1.00 0.33 H new ATOM 0 HG23 ILE A 156 2.761 20.379 20.658 1.00 0.33 H new ATOM 0 HD11 ILE A 156 4.134 22.855 24.589 1.00 0.35 H new ATOM 0 HD12 ILE A 156 4.251 21.096 24.832 1.00 0.35 H new ATOM 0 HD13 ILE A 156 5.571 21.972 24.021 1.00 0.35 H new ATOM 2277 N GLN A 157 1.783 18.447 21.606 1.00 0.32 N ATOM 2278 CA GLN A 157 0.318 18.308 21.356 1.00 0.34 C ATOM 2279 C GLN A 157 -0.286 17.375 22.404 1.00 0.36 C ATOM 2280 O GLN A 157 -1.370 17.605 22.900 1.00 0.38 O ATOM 2281 CB GLN A 157 0.066 17.735 19.959 1.00 0.38 C ATOM 2282 CG GLN A 157 0.433 18.777 18.901 1.00 0.40 C ATOM 2283 CD GLN A 157 0.179 18.197 17.509 1.00 0.59 C ATOM 2284 OE1 GLN A 157 0.145 16.995 17.335 1.00 1.18 O ATOM 2285 NE2 GLN A 157 -0.006 19.006 16.502 1.00 1.20 N ATOM 0 H GLN A 157 2.390 18.044 20.892 1.00 0.32 H new ATOM 0 HA GLN A 157 -0.147 19.292 21.421 1.00 0.34 H new ATOM 0 HB2 GLN A 157 0.658 16.831 19.814 1.00 0.38 H new ATOM 0 HB3 GLN A 157 -0.981 17.451 19.855 1.00 0.38 H new ATOM 0 HG2 GLN A 157 -0.159 19.681 19.044 1.00 0.40 H new ATOM 0 HG3 GLN A 157 1.480 19.062 19.003 1.00 0.40 H new ATOM 0 HE21 GLN A 157 0.022 20.015 16.647 1.00 1.20 H new ATOM 0 HE22 GLN A 157 -0.179 18.629 15.570 1.00 1.20 H new ATOM 2294 N ALA A 158 0.404 16.327 22.750 1.00 0.38 N ATOM 2295 CA ALA A 158 -0.141 15.391 23.770 1.00 0.43 C ATOM 2296 C ALA A 158 -0.374 16.158 25.072 1.00 0.42 C ATOM 2297 O ALA A 158 -1.356 15.954 25.757 1.00 0.46 O ATOM 2298 CB ALA A 158 0.860 14.258 24.014 1.00 0.48 C ATOM 0 H ALA A 158 1.318 16.078 22.373 1.00 0.38 H new ATOM 0 HA ALA A 158 -1.081 14.967 23.417 1.00 0.43 H new ATOM 0 HB1 ALA A 158 0.459 13.573 24.761 1.00 0.48 H new ATOM 0 HB2 ALA A 158 1.033 13.718 23.083 1.00 0.48 H new ATOM 0 HB3 ALA A 158 1.801 14.675 24.372 1.00 0.48 H new ATOM 2304 N ILE A 159 0.524 17.039 25.419 1.00 0.39 N ATOM 2305 CA ILE A 159 0.353 17.819 26.678 1.00 0.41 C ATOM 2306 C ILE A 159 -0.859 18.751 26.558 1.00 0.40 C ATOM 2307 O ILE A 159 -1.715 18.772 27.421 1.00 0.45 O ATOM 2308 CB ILE A 159 1.618 18.649 26.922 1.00 0.42 C ATOM 2309 CG1 ILE A 159 2.789 17.708 27.215 1.00 0.46 C ATOM 2310 CG2 ILE A 159 1.420 19.591 28.115 1.00 0.47 C ATOM 2311 CD1 ILE A 159 4.099 18.499 27.215 1.00 0.48 C ATOM 0 H ILE A 159 1.367 17.252 24.886 1.00 0.39 H new ATOM 0 HA ILE A 159 0.189 17.136 27.511 1.00 0.41 H new ATOM 0 HB ILE A 159 1.826 19.244 26.033 1.00 0.42 H new ATOM 0 HG12 ILE A 159 2.646 17.223 28.181 1.00 0.46 H new ATOM 0 HG13 ILE A 159 2.830 16.918 26.465 1.00 0.46 H new ATOM 0 HG21 ILE A 159 2.328 20.173 28.274 1.00 0.47 H new ATOM 0 HG22 ILE A 159 0.588 20.265 27.912 1.00 0.47 H new ATOM 0 HG23 ILE A 159 1.203 19.006 29.009 1.00 0.47 H new ATOM 0 HD11 ILE A 159 4.930 17.826 27.424 1.00 0.48 H new ATOM 0 HD12 ILE A 159 4.244 18.963 26.239 1.00 0.48 H new ATOM 0 HD13 ILE A 159 4.057 19.273 27.982 1.00 0.48 H new ATOM 2323 N TYR A 160 -0.940 19.520 25.503 1.00 0.36 N ATOM 2324 CA TYR A 160 -2.098 20.450 25.342 1.00 0.39 C ATOM 2325 C TYR A 160 -3.123 19.841 24.386 1.00 0.41 C ATOM 2326 O TYR A 160 -4.260 19.608 24.746 1.00 0.47 O ATOM 2327 CB TYR A 160 -1.612 21.788 24.777 1.00 0.38 C ATOM 2328 CG TYR A 160 -0.816 22.522 25.830 1.00 0.38 C ATOM 2329 CD1 TYR A 160 -1.474 23.329 26.766 1.00 0.46 C ATOM 2330 CD2 TYR A 160 0.576 22.389 25.876 1.00 0.36 C ATOM 2331 CE1 TYR A 160 -0.738 24.005 27.747 1.00 0.50 C ATOM 2332 CE2 TYR A 160 1.312 23.064 26.858 1.00 0.41 C ATOM 2333 CZ TYR A 160 0.655 23.873 27.793 1.00 0.47 C ATOM 2334 OH TYR A 160 1.379 24.538 28.761 1.00 0.54 O ATOM 0 H TYR A 160 -0.256 19.544 24.747 1.00 0.36 H new ATOM 0 HA TYR A 160 -2.561 20.612 26.315 1.00 0.39 H new ATOM 0 HB2 TYR A 160 -0.997 21.619 23.893 1.00 0.38 H new ATOM 0 HB3 TYR A 160 -2.463 22.392 24.463 1.00 0.38 H new ATOM 0 HD1 TYR A 160 -2.549 23.430 26.731 1.00 0.46 H new ATOM 0 HD2 TYR A 160 1.083 21.766 25.154 1.00 0.36 H new ATOM 0 HE1 TYR A 160 -1.245 24.628 28.468 1.00 0.50 H new ATOM 0 HE2 TYR A 160 2.386 22.960 26.894 1.00 0.41 H new ATOM 0 HH TYR A 160 2.332 24.337 28.652 1.00 0.54 H new ATOM 2344 N GLY A 161 -2.731 19.586 23.170 1.00 0.40 N ATOM 2345 CA GLY A 161 -3.683 18.998 22.188 1.00 0.45 C ATOM 2346 C GLY A 161 -3.374 19.545 20.795 1.00 0.45 C ATOM 2347 O GLY A 161 -2.376 20.206 20.583 1.00 0.42 O ATOM 0 H GLY A 161 -1.791 19.760 22.813 1.00 0.40 H new ATOM 0 HA2 GLY A 161 -3.601 17.911 22.191 1.00 0.45 H new ATOM 0 HA3 GLY A 161 -4.708 19.241 22.468 1.00 0.45 H new ATOM 2351 N ARG A 162 -4.221 19.274 19.844 1.00 0.54 N ATOM 2352 CA ARG A 162 -3.980 19.776 18.462 1.00 0.58 C ATOM 2353 C ARG A 162 -4.452 21.227 18.348 1.00 0.59 C ATOM 2354 O ARG A 162 -5.283 21.682 19.109 1.00 0.70 O ATOM 2355 CB ARG A 162 -4.753 18.908 17.470 1.00 0.76 C ATOM 2356 CG ARG A 162 -4.586 17.436 17.854 1.00 0.84 C ATOM 2357 CD ARG A 162 -5.245 16.545 16.800 1.00 1.09 C ATOM 2358 NE ARG A 162 -4.280 15.492 16.379 1.00 1.81 N ATOM 2359 CZ ARG A 162 -4.697 14.453 15.710 1.00 2.36 C ATOM 2360 NH1 ARG A 162 -5.963 14.328 15.422 1.00 2.47 N ATOM 2361 NH2 ARG A 162 -3.847 13.539 15.331 1.00 3.41 N ATOM 0 H ARG A 162 -5.072 18.725 19.963 1.00 0.54 H new ATOM 0 HA ARG A 162 -2.914 19.729 18.239 1.00 0.58 H new ATOM 0 HB2 ARG A 162 -5.808 19.180 17.475 1.00 0.76 H new ATOM 0 HB3 ARG A 162 -4.386 19.076 16.458 1.00 0.76 H new ATOM 0 HG2 ARG A 162 -3.527 17.191 17.939 1.00 0.84 H new ATOM 0 HG3 ARG A 162 -5.035 17.253 18.830 1.00 0.84 H new ATOM 0 HD2 ARG A 162 -6.147 16.087 17.206 1.00 1.09 H new ATOM 0 HD3 ARG A 162 -5.549 17.142 15.940 1.00 1.09 H new ATOM 0 HE ARG A 162 -3.292 15.583 16.614 1.00 1.81 H new ATOM 0 HH11 ARG A 162 -6.627 15.043 15.720 1.00 2.47 H new ATOM 0 HH12 ARG A 162 -6.289 13.515 14.899 1.00 2.47 H new ATOM 0 HH21 ARG A 162 -2.857 13.637 15.558 1.00 3.41 H new ATOM 0 HH22 ARG A 162 -4.172 12.726 14.808 1.00 3.41 H new ATOM 2375 N SER A 163 -3.931 21.956 17.399 1.00 0.57 N ATOM 2376 CA SER A 163 -4.353 23.376 17.229 1.00 0.64 C ATOM 2377 C SER A 163 -5.726 23.421 16.556 1.00 0.81 C ATOM 2378 O SER A 163 -5.863 23.134 15.384 1.00 0.96 O ATOM 2379 CB SER A 163 -3.333 24.111 16.359 1.00 0.61 C ATOM 2380 OG SER A 163 -2.118 24.257 17.082 1.00 0.58 O ATOM 0 H SER A 163 -3.231 21.629 16.733 1.00 0.57 H new ATOM 0 HA SER A 163 -4.410 23.858 18.205 1.00 0.64 H new ATOM 0 HB2 SER A 163 -3.157 23.556 15.437 1.00 0.61 H new ATOM 0 HB3 SER A 163 -3.719 25.089 16.073 1.00 0.61 H new ATOM 0 HG SER A 163 -1.740 25.144 16.910 1.00 0.58 H new TER 2386 SER A 163 HETATM 2387 ZN ZN A 170 18.710 21.250 26.919 1.00 0.37 ZN HETATM 2388 ZN ZN A 171 22.158 32.457 34.215 1.00 0.53 ZN HETATM 2389 CA CA A 172 30.070 28.372 27.335 1.00 0.47 CA CONECT 993 2388 CONECT 1032 2388 CONECT 1111 2389 CONECT 1132 2389 CONECT 1146 2389 CONECT 1195 2388 CONECT 1353 2388 CONECT 1391 2389 CONECT 1431 2389 CONECT 1727 2387 CONECT 1785 2387 CONECT 1869 2387 CONECT 2387 1727 1785 1869 CONECT 2388 993 1032 1195 1353 CONECT 2389 1111 1132 1146 1391 CONECT 2389 1431 END