USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1164 hydrogens (23 hets) HEADER MATRIX METALLOPROTEINASE 01-FEB-99 3AYK TITLE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE TITLE 2 COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (COLLAGENASE); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CATALYTIC FRAGMENT; COMPND 5 SYNONYM: MMP-1, FIBROBLAST COLLAGENASE; COMPND 6 EC: 3.4.24.7; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: HETEROGEN: N-HYDROXY-2(R)-[[(4- COMPND 9 METHOXYPHENYL) SULFONYL](3-PICOLYL)AMINO]-3- COMPND 0 METHYLBUTANAMIDE HYDROCHLORIDE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 STRAIN: BL21 (DE3); 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 3AYK 1 VERSN REVDAT 1 07-JUN-99 3AYK 0 JRNL AUTH F.J.MOY,P.K.CHANDA,J.M.CHEN,S.COSMI,W.EDRIS, JRNL AUTH 2 J.S.SKOTNICKI,J.WILHELM,R.POWERS JRNL TITL NMR SOLUTION STRUCTURE OF THE CATALYTIC FRAGMENT JRNL TITL 2 OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH A JRNL TITL 3 SULFONAMIDE DERIVATIVE OF A HYDROXAMIC ACID JRNL TITL 4 COMPOUND. JRNL REF BIOCHEMISTRY V. 38 7085 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10353819 JRNL DOI 10.1021/BI982576V REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.J.MOY,P.K.CHANDA,S.COSMI,M.R.PISANO,C.URBANO, REMARK 1 AUTH 2 J.WILHELM,R.POWERS REMARK 1 TITL HIGH-RESOLUTION SOLUTION STRUCTURE OF THE REMARK 1 TITL 2 INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN REMARK 1 TITL 3 FIBROBLAST COLLAGENASE DETERMINED BY REMARK 1 TITL 4 MULTIDIMENSIONAL NMR REMARK 1 REF BIOCHEMISTRY V. 37 1495 1998 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI972181W REMARK 1 REFERENCE 2 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 1 DOI 10.1023/A:1018362914316 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 3AYK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-FEB-99. REMARK 100 THE RCSB ID CODE IS RCSB000423. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 6.50 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TOCSY, TRIPLE- REMARK 210 RESONANCE 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: RESTRAINED MINIMIZED MEAN STRUCTURE. THE STRUCTURE WAS REMARK 210 DETERMINED USING TRIPLE- RESONANCE NMR SPECTROSCOPY ON 13C, REMARK 210 15N-LABELED MMP-1. 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 26 -177.05 -60.17 REMARK 500 PRO A 46 6.13 -62.57 REMARK 500 ASP A 75 72.92 -112.20 REMARK 500 PRO A 87 100.68 -58.01 REMARK 500 PHE A 107 34.35 -61.98 REMARK 500 ARG A 108 -161.39 -74.88 REMARK 500 MET A 136 47.48 -73.51 REMARK 500 SER A 143 -128.69 -109.75 REMARK 500 TYR A 160 -68.08 -99.29 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 171 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 68 NE2 REMARK 620 2 HIS A 83 NE2 130.2 REMARK 620 3 HIS A 96 ND1 114.1 108.1 REMARK 620 N 1 2 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 PRO A 77 O REMARK 620 2 GLY A 78 O 71.6 REMARK 620 3 ASP A 98 OD2 140.1 135.7 REMARK 620 4 ASN A 80 O 133.9 88.5 82.5 REMARK 620 5 GLY A 76 O 76.6 58.1 94.3 127.4 REMARK 620 6 GLU A 101 OE2 55.7 126.9 93.4 122.7 109.9 REMARK 620 N 1 2 3 4 5 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 80.1 REMARK 620 3 HIS A 128 NE2 103.4 95.4 REMARK 620 4 CGS A 173 O47 123.0 151.8 94.4 REMARK 620 5 CGS A 173 O48 72.4 101.5 161.4 74.2 REMARK 620 6 CGS A 173 N35 101.3 112.4 145.5 51.6 29.4 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ZNA REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: ZNB REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: CAB REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: CA BINDING SITE. REMARK 800 SITE_IDENTIFIER: CGS REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: CGS-27023A 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 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CGS A 173 DBREF 3AYK 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 HET CGS A 173 50 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION HETNAM CGS N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- HETNAM 2 CGS PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE HETSYN CGS CGS-27023A FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA CA 2+ FORMUL 5 CGS C18 H23 N3 O5 S 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 NE2 HIS A 68 ZN ZN A 171 1555 1555 2.02 LINK O PRO A 77 CA CA A 172 1555 1555 3.00 LINK O GLY A 78 CA CA A 172 1555 1555 3.00 LINK NE2 HIS A 83 ZN ZN A 171 1555 1555 2.21 LINK ND1 HIS A 96 ZN ZN A 171 1555 1555 1.99 LINK OD2 ASP A 98 CA CA A 172 1555 1555 2.99 LINK NE2 HIS A 118 ZN ZN A 170 1555 1555 2.15 LINK NE2 HIS A 122 ZN ZN A 170 1555 1555 2.07 LINK NE2 HIS A 128 ZN ZN A 170 1555 1555 1.97 LINK ZN ZN A 170 O47 CGS A 173 1555 1555 2.30 LINK ZN ZN A 170 O48 CGS A 173 1555 1555 2.08 LINK ZN ZN A 170 N35 CGS A 173 1555 1555 2.74 LINK CA CA A 172 O ASN A 80 1555 1555 3.20 LINK CA CA A 172 O GLY A 76 1555 1555 3.20 LINK CA CA A 172 OE2 GLU A 101 1555 1555 3.02 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 *** CGS 12 ASN A 80 LEU A 81 ALA A 82 HIS A 83 SITE *** CGS 12 ARG A 114 VAL A 115 HIS A 118 GLU A 119 SITE *** CGS 12 LEU A 135 PRO A 138 TYR A 137 SER A 139 SITE *** AC1 4 HIS A 118 HIS A 122 HIS A 128 CGS A 173 SITE *** AC2 5 VAL A 64 HIS A 68 ASP A 70 HIS A 83 SITE *** AC2 5 HIS A 96 SITE *** AC3 7 GLY A 76 PRO A 77 GLY A 78 ASN A 80 SITE *** AC3 7 LEU A 81 ASP A 98 GLU A 101 SITE *** AC4 10 ASN A 80 LEU A 81 ALA A 82 HIS A 118 SITE *** AC4 10 HIS A 122 HIS A 128 PRO A 138 SER A 139 SITE *** AC4 10 TYR A 140 ZN A 170 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 180:sc= 0 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -0.619! C(o=-0.65!,f=-14!) USER MOD Set 1.3: A 48 THR OG1 : rot -118:sc= -0.0291! USER MOD Single : A 11 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 16 TYR OH : rot 180:sc=-0.00234 USER MOD Single : A 20 ASN : amide:sc= -0.787 K(o=-0.79,f=-6.1!) USER MOD Single : A 21 TYR OH : rot 168:sc= 1.12 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.505 USER MOD Single : A 32 HIS : no HE2:sc= -0.812 K(o=-0.81,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-0.77) USER MOD Single : A 42 SER OG : rot 81:sc= 0.629 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.17! C(o=-4.6!,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot -80:sc= 0.733 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -42:sc= 0.246 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.23! C(o=-1.2!,f=-7.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -5.69! C(o=-5.7!,f=-10!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot -87:sc= -1.9! USER MOD Single : A 105 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.9!) USER MOD Single : A 106 ASN :FLIP amide:sc= -8.31! C(o=-10!,f=-8.3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.06! C(o=-3.1!,f=-5.8!) USER MOD Single : A 113 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD Single : A 123 SER OG : rot -23:sc= 0.916 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 143:sc= -0.0876 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 MET CE :methyl -160:sc= -0.0399 (180deg=-0.531) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -35:sc= 0.264 USER MOD Single : A 140 TYR OH : rot 154:sc= -0.428 USER MOD Single : A 141 THR OG1 : rot -122:sc= 0.0372 USER MOD Single : A 143 SER OG : rot 180:sc= -0.935! USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 157 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.3!) USER MOD Single : A 160 TYR OH : rot 22:sc= 0.518 USER MOD Single : A 163 SER OG : rot 63:sc= -1.73! USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 7 -15.460 -8.417 -5.579 1.00 1.36 N ATOM 2 CA PRO A 7 -16.096 -7.997 -6.855 1.00 1.08 C ATOM 3 C PRO A 7 -15.100 -7.953 -8.018 1.00 0.95 C ATOM 4 O PRO A 7 -13.903 -8.042 -7.828 1.00 1.29 O ATOM 5 CB PRO A 7 -16.610 -6.594 -6.523 1.00 1.76 C ATOM 6 CG PRO A 7 -16.261 -6.268 -5.062 1.00 2.22 C ATOM 7 CD PRO A 7 -15.507 -7.455 -4.453 1.00 1.99 C ATOM 0 HA PRO A 7 -16.871 -8.689 -7.185 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -16.159 -5.860 -7.191 1.00 1.76 H new ATOM 0 HB3 PRO A 7 -17.688 -6.542 -6.673 1.00 1.76 H new ATOM 0 HG2 PRO A 7 -15.649 -5.368 -5.013 1.00 2.22 H new ATOM 0 HG3 PRO A 7 -17.169 -6.067 -4.494 1.00 2.22 H new ATOM 0 HD2 PRO A 7 -14.509 -7.173 -4.118 1.00 1.99 H new ATOM 0 HD3 PRO A 7 -16.028 -7.867 -3.589 1.00 1.99 H new ATOM 15 N ARG A 8 -15.587 -7.824 -9.221 1.00 0.72 N ATOM 16 CA ARG A 8 -14.677 -7.781 -10.401 1.00 0.58 C ATOM 17 C ARG A 8 -15.277 -6.855 -11.459 1.00 0.51 C ATOM 18 O ARG A 8 -16.439 -6.505 -11.399 1.00 0.53 O ATOM 19 CB ARG A 8 -14.523 -9.189 -10.974 1.00 0.59 C ATOM 20 CG ARG A 8 -13.781 -10.062 -9.960 1.00 0.68 C ATOM 21 CD ARG A 8 -13.457 -11.414 -10.589 1.00 0.93 C ATOM 22 NE ARG A 8 -13.994 -12.503 -9.727 1.00 1.65 N ATOM 23 CZ ARG A 8 -14.099 -13.710 -10.205 1.00 2.35 C ATOM 24 NH1 ARG A 8 -13.728 -13.947 -11.428 1.00 2.70 N ATOM 25 NH2 ARG A 8 -14.573 -14.673 -9.466 1.00 3.24 N ATOM 0 H ARG A 8 -16.580 -7.746 -9.439 1.00 0.72 H new ATOM 0 HA ARG A 8 -13.698 -7.407 -10.102 1.00 0.58 H new ATOM 0 HB2 ARG A 8 -15.502 -9.615 -11.193 1.00 0.59 H new ATOM 0 HB3 ARG A 8 -13.973 -9.154 -11.915 1.00 0.59 H new ATOM 0 HG2 ARG A 8 -12.863 -9.568 -9.643 1.00 0.68 H new ATOM 0 HG3 ARG A 8 -14.393 -10.201 -9.069 1.00 0.68 H new ATOM 0 HD2 ARG A 8 -13.892 -11.477 -11.586 1.00 0.93 H new ATOM 0 HD3 ARG A 8 -12.379 -11.525 -10.704 1.00 0.93 H new ATOM 0 HE ARG A 8 -14.278 -12.305 -8.768 1.00 1.65 H new ATOM 0 HH11 ARG A 8 -13.358 -13.191 -12.004 1.00 2.70 H new ATOM 0 HH12 ARG A 8 -13.806 -14.889 -11.811 1.00 2.70 H new ATOM 0 HH21 ARG A 8 -14.864 -14.484 -8.507 1.00 3.24 H new ATOM 0 HH22 ARG A 8 -14.653 -15.616 -9.847 1.00 3.24 H new ATOM 39 N TRP A 9 -14.501 -6.446 -12.423 1.00 0.48 N ATOM 40 CA TRP A 9 -15.046 -5.537 -13.467 1.00 0.45 C ATOM 41 C TRP A 9 -15.803 -6.364 -14.508 1.00 0.49 C ATOM 42 O TRP A 9 -15.252 -7.247 -15.135 1.00 0.50 O ATOM 43 CB TRP A 9 -13.899 -4.794 -14.149 1.00 0.45 C ATOM 44 CG TRP A 9 -13.129 -4.010 -13.131 1.00 0.39 C ATOM 45 CD1 TRP A 9 -11.997 -4.433 -12.523 1.00 0.40 C ATOM 46 CD2 TRP A 9 -13.409 -2.683 -12.596 1.00 0.38 C ATOM 47 NE1 TRP A 9 -11.566 -3.452 -11.647 1.00 0.38 N ATOM 48 CE2 TRP A 9 -12.402 -2.354 -11.657 1.00 0.36 C ATOM 49 CE3 TRP A 9 -14.428 -1.742 -12.831 1.00 0.43 C ATOM 50 CZ2 TRP A 9 -12.406 -1.136 -10.974 1.00 0.38 C ATOM 51 CZ3 TRP A 9 -14.434 -0.515 -12.147 1.00 0.47 C ATOM 52 CH2 TRP A 9 -13.426 -0.213 -11.220 1.00 0.44 C ATOM 0 H TRP A 9 -13.519 -6.700 -12.533 1.00 0.48 H new ATOM 0 HA TRP A 9 -15.721 -4.816 -13.006 1.00 0.45 H new ATOM 0 HB2 TRP A 9 -13.240 -5.503 -14.650 1.00 0.45 H new ATOM 0 HB3 TRP A 9 -14.291 -4.126 -14.916 1.00 0.45 H new ATOM 0 HD1 TRP A 9 -11.509 -5.381 -12.693 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -10.732 -3.531 -11.065 1.00 0.38 H new ATOM 0 HE3 TRP A 9 -15.210 -1.964 -13.542 1.00 0.43 H new ATOM 0 HZ2 TRP A 9 -11.627 -0.909 -10.261 1.00 0.38 H new ATOM 0 HZ3 TRP A 9 -15.220 0.201 -12.336 1.00 0.47 H new ATOM 0 HH2 TRP A 9 -13.438 0.732 -10.697 1.00 0.44 H new ATOM 63 N GLU A 10 -17.064 -6.089 -14.689 1.00 0.53 N ATOM 64 CA GLU A 10 -17.864 -6.861 -15.680 1.00 0.58 C ATOM 65 C GLU A 10 -17.653 -6.278 -17.080 1.00 0.54 C ATOM 66 O GLU A 10 -18.050 -6.857 -18.071 1.00 0.60 O ATOM 67 CB GLU A 10 -19.344 -6.765 -15.307 1.00 0.68 C ATOM 68 CG GLU A 10 -19.584 -7.502 -13.988 1.00 0.74 C ATOM 69 CD GLU A 10 -21.003 -7.215 -13.492 1.00 1.17 C ATOM 70 OE1 GLU A 10 -21.335 -6.050 -13.352 1.00 1.79 O ATOM 71 OE2 GLU A 10 -21.733 -8.165 -13.264 1.00 1.75 O ATOM 0 H GLU A 10 -17.577 -5.361 -14.192 1.00 0.53 H new ATOM 0 HA GLU A 10 -17.547 -7.904 -15.675 1.00 0.58 H new ATOM 0 HB2 GLU A 10 -19.639 -5.720 -15.212 1.00 0.68 H new ATOM 0 HB3 GLU A 10 -19.958 -7.199 -16.096 1.00 0.68 H new ATOM 0 HG2 GLU A 10 -19.447 -8.574 -14.128 1.00 0.74 H new ATOM 0 HG3 GLU A 10 -18.856 -7.182 -13.243 1.00 0.74 H new ATOM 78 N GLN A 11 -17.036 -5.132 -17.166 1.00 0.49 N ATOM 79 CA GLN A 11 -16.805 -4.504 -18.497 1.00 0.46 C ATOM 80 C GLN A 11 -15.548 -5.109 -19.132 1.00 0.40 C ATOM 81 O GLN A 11 -14.654 -5.558 -18.443 1.00 0.40 O ATOM 82 CB GLN A 11 -16.613 -2.999 -18.308 1.00 0.50 C ATOM 83 CG GLN A 11 -17.858 -2.413 -17.637 1.00 0.79 C ATOM 84 CD GLN A 11 -17.627 -0.932 -17.329 1.00 0.93 C ATOM 85 OE1 GLN A 11 -16.501 -0.488 -17.235 1.00 1.23 O ATOM 86 NE2 GLN A 11 -18.655 -0.145 -17.164 1.00 1.58 N ATOM 0 H GLN A 11 -16.681 -4.602 -16.370 1.00 0.49 H new ATOM 0 HA GLN A 11 -17.660 -4.686 -19.149 1.00 0.46 H new ATOM 0 HB2 GLN A 11 -15.731 -2.807 -17.697 1.00 0.50 H new ATOM 0 HB3 GLN A 11 -16.444 -2.518 -19.271 1.00 0.50 H new ATOM 0 HG2 GLN A 11 -18.723 -2.528 -18.290 1.00 0.79 H new ATOM 0 HG3 GLN A 11 -18.077 -2.956 -16.718 1.00 0.79 H new ATOM 0 HE21 GLN A 11 -19.601 -0.518 -17.243 1.00 1.58 H new ATOM 0 HE22 GLN A 11 -18.512 0.843 -16.956 1.00 1.58 H new ATOM 95 N THR A 12 -15.469 -5.124 -20.438 1.00 0.42 N ATOM 96 CA THR A 12 -14.264 -5.701 -21.106 1.00 0.43 C ATOM 97 C THR A 12 -13.281 -4.579 -21.436 1.00 0.39 C ATOM 98 O THR A 12 -12.185 -4.820 -21.904 1.00 0.43 O ATOM 99 CB THR A 12 -14.678 -6.401 -22.402 1.00 0.53 C ATOM 100 OG1 THR A 12 -15.293 -5.460 -23.271 1.00 0.56 O ATOM 101 CG2 THR A 12 -15.661 -7.527 -22.086 1.00 0.59 C ATOM 0 H THR A 12 -16.184 -4.763 -21.069 1.00 0.42 H new ATOM 0 HA THR A 12 -13.793 -6.421 -20.437 1.00 0.43 H new ATOM 0 HB THR A 12 -13.796 -6.820 -22.886 1.00 0.53 H new ATOM 0 HG1 THR A 12 -15.557 -5.907 -24.102 1.00 0.56 H new ATOM 0 HG21 THR A 12 -15.954 -8.024 -23.011 1.00 0.59 H new ATOM 0 HG22 THR A 12 -15.186 -8.248 -21.421 1.00 0.59 H new ATOM 0 HG23 THR A 12 -16.545 -7.113 -21.600 1.00 0.59 H new ATOM 109 N HIS A 13 -13.668 -3.356 -21.188 1.00 0.34 N ATOM 110 CA HIS A 13 -12.769 -2.200 -21.472 1.00 0.34 C ATOM 111 C HIS A 13 -12.652 -1.354 -20.205 1.00 0.32 C ATOM 112 O HIS A 13 -13.623 -1.144 -19.505 1.00 0.39 O ATOM 113 CB HIS A 13 -13.369 -1.352 -22.598 1.00 0.39 C ATOM 114 CG HIS A 13 -13.705 -2.231 -23.775 1.00 0.42 C ATOM 115 ND1 HIS A 13 -12.788 -3.103 -24.338 1.00 1.23 N ATOM 116 CD2 HIS A 13 -14.852 -2.373 -24.511 1.00 1.14 C ATOM 117 CE1 HIS A 13 -13.395 -3.723 -25.367 1.00 0.97 C ATOM 118 NE2 HIS A 13 -14.656 -3.314 -25.515 1.00 0.78 N ATOM 0 H HIS A 13 -14.577 -3.107 -20.797 1.00 0.34 H new ATOM 0 HA HIS A 13 -11.785 -2.556 -21.777 1.00 0.34 H new ATOM 0 HB2 HIS A 13 -14.266 -0.843 -22.244 1.00 0.39 H new ATOM 0 HB3 HIS A 13 -12.662 -0.579 -22.900 1.00 0.39 H new ATOM 0 HD2 HIS A 13 -15.772 -1.834 -24.337 1.00 1.14 H new ATOM 0 HE1 HIS A 13 -12.919 -4.461 -25.996 1.00 0.97 H new ATOM 0 HE2 HIS A 13 -15.331 -3.625 -26.214 1.00 0.78 H new ATOM 126 N LEU A 14 -11.473 -0.877 -19.898 1.00 0.26 N ATOM 127 CA LEU A 14 -11.293 -0.054 -18.667 1.00 0.25 C ATOM 128 C LEU A 14 -10.543 1.227 -19.024 1.00 0.24 C ATOM 129 O LEU A 14 -9.814 1.281 -19.991 1.00 0.26 O ATOM 130 CB LEU A 14 -10.491 -0.859 -17.638 1.00 0.25 C ATOM 131 CG LEU A 14 -11.247 -2.151 -17.288 1.00 0.29 C ATOM 132 CD1 LEU A 14 -10.346 -3.071 -16.462 1.00 0.31 C ATOM 133 CD2 LEU A 14 -12.501 -1.830 -16.467 1.00 0.34 C ATOM 0 H LEU A 14 -10.627 -1.023 -20.448 1.00 0.26 H new ATOM 0 HA LEU A 14 -12.264 0.204 -18.245 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -9.506 -1.100 -18.038 1.00 0.25 H new ATOM 0 HB3 LEU A 14 -10.333 -0.263 -16.739 1.00 0.25 H new ATOM 0 HG LEU A 14 -11.535 -2.643 -18.217 1.00 0.29 H new ATOM 0 HD11 LEU A 14 -10.887 -3.985 -16.217 1.00 0.31 H new ATOM 0 HD12 LEU A 14 -9.455 -3.320 -17.038 1.00 0.31 H new ATOM 0 HD13 LEU A 14 -10.054 -2.564 -15.542 1.00 0.31 H new ATOM 0 HD21 LEU A 14 -13.025 -2.755 -16.227 1.00 0.34 H new ATOM 0 HD22 LEU A 14 -12.213 -1.326 -15.544 1.00 0.34 H new ATOM 0 HD23 LEU A 14 -13.158 -1.180 -17.045 1.00 0.34 H new ATOM 145 N THR A 15 -10.732 2.263 -18.253 1.00 0.23 N ATOM 146 CA THR A 15 -10.042 3.553 -18.539 1.00 0.23 C ATOM 147 C THR A 15 -9.268 3.982 -17.296 1.00 0.21 C ATOM 148 O THR A 15 -9.651 3.681 -16.183 1.00 0.21 O ATOM 149 CB THR A 15 -11.082 4.621 -18.897 1.00 0.27 C ATOM 150 OG1 THR A 15 -11.962 4.811 -17.798 1.00 0.29 O ATOM 151 CG2 THR A 15 -11.887 4.176 -20.124 1.00 0.33 C ATOM 0 H THR A 15 -11.338 2.271 -17.433 1.00 0.23 H new ATOM 0 HA THR A 15 -9.355 3.431 -19.377 1.00 0.23 H new ATOM 0 HB THR A 15 -10.571 5.557 -19.124 1.00 0.27 H new ATOM 0 HG1 THR A 15 -12.626 5.495 -18.025 1.00 0.29 H new ATOM 0 HG21 THR A 15 -12.624 4.940 -20.372 1.00 0.33 H new ATOM 0 HG22 THR A 15 -11.213 4.033 -20.969 1.00 0.33 H new ATOM 0 HG23 THR A 15 -12.397 3.238 -19.904 1.00 0.33 H new ATOM 159 N TYR A 16 -8.178 4.676 -17.478 1.00 0.21 N ATOM 160 CA TYR A 16 -7.368 5.121 -16.308 1.00 0.21 C ATOM 161 C TYR A 16 -6.879 6.547 -16.549 1.00 0.22 C ATOM 162 O TYR A 16 -6.838 7.021 -17.669 1.00 0.24 O ATOM 163 CB TYR A 16 -6.165 4.190 -16.136 1.00 0.24 C ATOM 164 CG TYR A 16 -5.262 4.307 -17.338 1.00 0.28 C ATOM 165 CD1 TYR A 16 -5.483 3.499 -18.458 1.00 0.32 C ATOM 166 CD2 TYR A 16 -4.207 5.227 -17.335 1.00 0.35 C ATOM 167 CE1 TYR A 16 -4.649 3.608 -19.576 1.00 0.40 C ATOM 168 CE2 TYR A 16 -3.372 5.338 -18.453 1.00 0.41 C ATOM 169 CZ TYR A 16 -3.593 4.528 -19.573 1.00 0.42 C ATOM 170 OH TYR A 16 -2.771 4.637 -20.676 1.00 0.50 O ATOM 0 H TYR A 16 -7.812 4.955 -18.389 1.00 0.21 H new ATOM 0 HA TYR A 16 -7.979 5.091 -15.406 1.00 0.21 H new ATOM 0 HB2 TYR A 16 -5.617 4.450 -15.230 1.00 0.24 H new ATOM 0 HB3 TYR A 16 -6.502 3.160 -16.020 1.00 0.24 H new ATOM 0 HD1 TYR A 16 -6.298 2.790 -18.460 1.00 0.32 H new ATOM 0 HD2 TYR A 16 -4.037 5.851 -16.470 1.00 0.35 H new ATOM 0 HE1 TYR A 16 -4.819 2.983 -20.440 1.00 0.40 H new ATOM 0 HE2 TYR A 16 -2.558 6.048 -18.451 1.00 0.41 H new ATOM 0 HH TYR A 16 -2.090 5.322 -20.510 1.00 0.50 H new ATOM 180 N ARG A 17 -6.516 7.239 -15.506 1.00 0.21 N ATOM 181 CA ARG A 17 -6.037 8.637 -15.677 1.00 0.23 C ATOM 182 C ARG A 17 -5.041 8.982 -14.571 1.00 0.22 C ATOM 183 O ARG A 17 -5.249 8.681 -13.413 1.00 0.23 O ATOM 184 CB ARG A 17 -7.225 9.599 -15.587 1.00 0.26 C ATOM 185 CG ARG A 17 -6.770 11.029 -15.911 1.00 0.35 C ATOM 186 CD ARG A 17 -7.781 12.018 -15.340 1.00 0.40 C ATOM 187 NE ARG A 17 -7.376 13.400 -15.719 1.00 1.18 N ATOM 188 CZ ARG A 17 -8.154 14.405 -15.439 1.00 1.73 C ATOM 189 NH1 ARG A 17 -9.247 14.205 -14.755 1.00 2.14 N ATOM 190 NH2 ARG A 17 -7.832 15.610 -15.821 1.00 2.55 N ATOM 0 H ARG A 17 -6.530 6.898 -14.545 1.00 0.21 H new ATOM 0 HA ARG A 17 -5.554 8.730 -16.650 1.00 0.23 H new ATOM 0 HB2 ARG A 17 -8.006 9.291 -16.282 1.00 0.26 H new ATOM 0 HB3 ARG A 17 -7.657 9.564 -14.587 1.00 0.26 H new ATOM 0 HG2 ARG A 17 -5.783 11.214 -15.487 1.00 0.35 H new ATOM 0 HG3 ARG A 17 -6.684 11.161 -16.990 1.00 0.35 H new ATOM 0 HD2 ARG A 17 -8.778 11.800 -15.722 1.00 0.40 H new ATOM 0 HD3 ARG A 17 -7.828 11.924 -14.255 1.00 0.40 H new ATOM 0 HE ARG A 17 -6.489 13.559 -16.198 1.00 1.18 H new ATOM 0 HH11 ARG A 17 -9.488 13.264 -14.442 1.00 2.14 H new ATOM 0 HH12 ARG A 17 -9.860 14.989 -14.533 1.00 2.14 H new ATOM 0 HH21 ARG A 17 -6.968 15.767 -16.341 1.00 2.55 H new ATOM 0 HH22 ARG A 17 -8.444 16.396 -15.600 1.00 2.55 H new ATOM 204 N ILE A 18 -3.977 9.643 -14.923 1.00 0.22 N ATOM 205 CA ILE A 18 -2.977 10.048 -13.902 1.00 0.23 C ATOM 206 C ILE A 18 -3.342 11.443 -13.388 1.00 0.22 C ATOM 207 O ILE A 18 -3.482 12.377 -14.153 1.00 0.24 O ATOM 208 CB ILE A 18 -1.589 10.080 -14.536 1.00 0.26 C ATOM 209 CG1 ILE A 18 -1.247 8.676 -15.058 1.00 0.28 C ATOM 210 CG2 ILE A 18 -0.566 10.515 -13.482 1.00 0.28 C ATOM 211 CD1 ILE A 18 0.016 8.713 -15.930 1.00 0.33 C ATOM 0 H ILE A 18 -3.756 9.921 -15.879 1.00 0.22 H new ATOM 0 HA ILE A 18 -2.975 9.337 -13.076 1.00 0.23 H new ATOM 0 HB ILE A 18 -1.568 10.787 -15.365 1.00 0.26 H new ATOM 0 HG12 ILE A 18 -1.095 7.998 -14.218 1.00 0.28 H new ATOM 0 HG13 ILE A 18 -2.083 8.284 -15.637 1.00 0.28 H new ATOM 0 HG21 ILE A 18 0.428 10.540 -13.928 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -0.823 11.508 -13.113 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -0.574 9.807 -12.653 1.00 0.28 H new ATOM 0 HD11 ILE A 18 0.240 7.708 -16.289 1.00 0.33 H new ATOM 0 HD12 ILE A 18 -0.149 9.374 -16.781 1.00 0.33 H new ATOM 0 HD13 ILE A 18 0.855 9.083 -15.340 1.00 0.33 H new ATOM 223 N GLU A 19 -3.510 11.592 -12.104 1.00 0.23 N ATOM 224 CA GLU A 19 -3.880 12.927 -11.554 1.00 0.25 C ATOM 225 C GLU A 19 -2.739 13.916 -11.797 1.00 0.25 C ATOM 226 O GLU A 19 -2.953 15.034 -12.222 1.00 0.28 O ATOM 227 CB GLU A 19 -4.118 12.799 -10.050 1.00 0.28 C ATOM 228 CG GLU A 19 -5.547 13.226 -9.714 1.00 1.15 C ATOM 229 CD GLU A 19 -5.804 13.001 -8.222 1.00 1.36 C ATOM 230 OE1 GLU A 19 -4.858 13.104 -7.458 1.00 1.92 O ATOM 231 OE2 GLU A 19 -6.939 12.728 -7.871 1.00 1.82 O ATOM 0 H GLU A 19 -3.408 10.849 -11.412 1.00 0.23 H new ATOM 0 HA GLU A 19 -4.784 13.286 -12.046 1.00 0.25 H new ATOM 0 HB2 GLU A 19 -3.952 11.770 -9.733 1.00 0.28 H new ATOM 0 HB3 GLU A 19 -3.406 13.419 -9.506 1.00 0.28 H new ATOM 0 HG2 GLU A 19 -5.694 14.276 -9.966 1.00 1.15 H new ATOM 0 HG3 GLU A 19 -6.259 12.653 -10.308 1.00 1.15 H new ATOM 238 N ASN A 20 -1.529 13.511 -11.532 1.00 0.25 N ATOM 239 CA ASN A 20 -0.373 14.424 -11.749 1.00 0.28 C ATOM 240 C ASN A 20 0.917 13.604 -11.812 1.00 0.26 C ATOM 241 O ASN A 20 0.988 12.502 -11.304 1.00 0.27 O ATOM 242 CB ASN A 20 -0.297 15.432 -10.598 1.00 0.36 C ATOM 243 CG ASN A 20 -0.115 14.690 -9.274 1.00 1.29 C ATOM 244 OD1 ASN A 20 -0.393 13.510 -9.182 1.00 2.28 O ATOM 245 ND2 ASN A 20 0.338 15.336 -8.235 1.00 1.66 N ATOM 0 H ASN A 20 -1.290 12.586 -11.174 1.00 0.25 H new ATOM 0 HA ASN A 20 -0.501 14.963 -12.688 1.00 0.28 H new ATOM 0 HB2 ASN A 20 0.534 16.119 -10.758 1.00 0.36 H new ATOM 0 HB3 ASN A 20 -1.206 16.033 -10.567 1.00 0.36 H new ATOM 0 HD21 ASN A 20 0.459 14.851 -7.346 1.00 1.66 H new ATOM 0 HD22 ASN A 20 0.571 16.326 -8.312 1.00 1.66 H new ATOM 252 N TYR A 21 1.934 14.132 -12.437 1.00 0.27 N ATOM 253 CA TYR A 21 3.222 13.387 -12.546 1.00 0.27 C ATOM 254 C TYR A 21 4.185 13.863 -11.457 1.00 0.29 C ATOM 255 O TYR A 21 4.233 15.031 -11.126 1.00 0.32 O ATOM 256 CB TYR A 21 3.830 13.646 -13.924 1.00 0.28 C ATOM 257 CG TYR A 21 2.914 13.079 -14.980 1.00 0.30 C ATOM 258 CD1 TYR A 21 1.897 13.872 -15.526 1.00 0.35 C ATOM 259 CD2 TYR A 21 3.076 11.757 -15.409 1.00 0.29 C ATOM 260 CE1 TYR A 21 1.044 13.343 -16.501 1.00 0.38 C ATOM 261 CE2 TYR A 21 2.223 11.228 -16.384 1.00 0.32 C ATOM 262 CZ TYR A 21 1.206 12.021 -16.930 1.00 0.36 C ATOM 263 OH TYR A 21 0.364 11.498 -17.890 1.00 0.41 O ATOM 0 H TYR A 21 1.929 15.051 -12.879 1.00 0.27 H new ATOM 0 HA TYR A 21 3.043 12.319 -12.419 1.00 0.27 H new ATOM 0 HB2 TYR A 21 3.967 14.716 -14.080 1.00 0.28 H new ATOM 0 HB3 TYR A 21 4.815 13.185 -13.993 1.00 0.28 H new ATOM 0 HD1 TYR A 21 1.771 14.892 -15.194 1.00 0.35 H new ATOM 0 HD2 TYR A 21 3.860 11.145 -14.988 1.00 0.29 H new ATOM 0 HE1 TYR A 21 0.260 13.955 -16.922 1.00 0.38 H new ATOM 0 HE2 TYR A 21 2.349 10.208 -16.716 1.00 0.32 H new ATOM 0 HH TYR A 21 0.725 10.645 -18.212 1.00 0.41 H new ATOM 273 N THR A 22 4.946 12.967 -10.886 1.00 0.30 N ATOM 274 CA THR A 22 5.893 13.375 -9.811 1.00 0.34 C ATOM 275 C THR A 22 7.109 14.099 -10.435 1.00 0.32 C ATOM 276 O THR A 22 7.589 13.693 -11.474 1.00 0.31 O ATOM 277 CB THR A 22 6.376 12.132 -9.058 1.00 0.40 C ATOM 278 OG1 THR A 22 7.327 12.518 -8.075 1.00 0.42 O ATOM 279 CG2 THR A 22 7.021 11.148 -10.036 1.00 0.40 C ATOM 0 H THR A 22 4.952 11.974 -11.118 1.00 0.30 H new ATOM 0 HA THR A 22 5.385 14.048 -9.120 1.00 0.34 H new ATOM 0 HB THR A 22 5.526 11.649 -8.576 1.00 0.40 H new ATOM 0 HG1 THR A 22 6.868 12.964 -7.333 1.00 0.42 H new ATOM 0 HG21 THR A 22 7.362 10.266 -9.493 1.00 0.40 H new ATOM 0 HG22 THR A 22 6.290 10.851 -10.788 1.00 0.40 H new ATOM 0 HG23 THR A 22 7.871 11.625 -10.524 1.00 0.40 H new ATOM 287 N PRO A 23 7.624 15.156 -9.822 1.00 0.35 N ATOM 288 CA PRO A 23 8.805 15.865 -10.395 1.00 0.36 C ATOM 289 C PRO A 23 10.045 14.969 -10.486 1.00 0.37 C ATOM 290 O PRO A 23 11.015 15.302 -11.139 1.00 0.40 O ATOM 291 CB PRO A 23 9.053 16.991 -9.390 1.00 0.41 C ATOM 292 CG PRO A 23 8.057 16.856 -8.235 1.00 0.42 C ATOM 293 CD PRO A 23 7.085 15.717 -8.549 1.00 0.38 C ATOM 0 HA PRO A 23 8.618 16.201 -11.415 1.00 0.36 H new ATOM 0 HB2 PRO A 23 10.075 16.942 -9.014 1.00 0.41 H new ATOM 0 HB3 PRO A 23 8.938 17.960 -9.875 1.00 0.41 H new ATOM 0 HG2 PRO A 23 8.585 16.654 -7.303 1.00 0.42 H new ATOM 0 HG3 PRO A 23 7.512 17.790 -8.097 1.00 0.42 H new ATOM 0 HD2 PRO A 23 7.068 14.971 -7.755 1.00 0.38 H new ATOM 0 HD3 PRO A 23 6.064 16.079 -8.668 1.00 0.38 H new ATOM 301 N ASP A 24 10.029 13.843 -9.828 1.00 0.37 N ATOM 302 CA ASP A 24 11.216 12.944 -9.870 1.00 0.40 C ATOM 303 C ASP A 24 11.494 12.519 -11.309 1.00 0.38 C ATOM 304 O ASP A 24 12.633 12.440 -11.726 1.00 0.41 O ATOM 305 CB ASP A 24 10.949 11.697 -9.025 1.00 0.43 C ATOM 306 CG ASP A 24 10.927 12.075 -7.545 1.00 0.49 C ATOM 307 OD1 ASP A 24 11.464 13.118 -7.211 1.00 1.20 O ATOM 308 OD2 ASP A 24 10.375 11.313 -6.768 1.00 1.11 O ATOM 0 H ASP A 24 9.248 13.507 -9.265 1.00 0.37 H new ATOM 0 HA ASP A 24 12.079 13.480 -9.474 1.00 0.40 H new ATOM 0 HB2 ASP A 24 9.997 11.249 -9.310 1.00 0.43 H new ATOM 0 HB3 ASP A 24 11.721 10.949 -9.208 1.00 0.43 H new ATOM 313 N LEU A 25 10.466 12.239 -12.073 1.00 0.33 N ATOM 314 CA LEU A 25 10.682 11.810 -13.488 1.00 0.33 C ATOM 315 C LEU A 25 9.631 12.497 -14.385 1.00 0.33 C ATOM 316 O LEU A 25 8.535 12.772 -13.938 1.00 0.32 O ATOM 317 CB LEU A 25 10.511 10.280 -13.595 1.00 0.34 C ATOM 318 CG LEU A 25 11.537 9.541 -12.718 1.00 0.40 C ATOM 319 CD1 LEU A 25 11.051 8.102 -12.481 1.00 0.43 C ATOM 320 CD2 LEU A 25 12.914 9.535 -13.413 1.00 0.48 C ATOM 0 H LEU A 25 9.491 12.289 -11.778 1.00 0.33 H new ATOM 0 HA LEU A 25 11.687 12.088 -13.806 1.00 0.33 H new ATOM 0 HB2 LEU A 25 9.502 10.002 -13.291 1.00 0.34 H new ATOM 0 HB3 LEU A 25 10.627 9.971 -14.634 1.00 0.34 H new ATOM 0 HG LEU A 25 11.637 10.050 -11.759 1.00 0.40 H new ATOM 0 HD11 LEU A 25 11.773 7.572 -11.860 1.00 0.43 H new ATOM 0 HD12 LEU A 25 10.085 8.123 -11.977 1.00 0.43 H new ATOM 0 HD13 LEU A 25 10.950 7.590 -13.438 1.00 0.43 H new ATOM 0 HD21 LEU A 25 13.635 9.010 -12.787 1.00 0.48 H new ATOM 0 HD22 LEU A 25 12.834 9.030 -14.375 1.00 0.48 H new ATOM 0 HD23 LEU A 25 13.247 10.561 -13.569 1.00 0.48 H new ATOM 332 N PRO A 26 9.939 12.773 -15.644 1.00 0.34 N ATOM 333 CA PRO A 26 8.946 13.430 -16.542 1.00 0.35 C ATOM 334 C PRO A 26 7.669 12.604 -16.716 1.00 0.35 C ATOM 335 O PRO A 26 7.507 11.556 -16.125 1.00 0.33 O ATOM 336 CB PRO A 26 9.693 13.526 -17.873 1.00 0.38 C ATOM 337 CG PRO A 26 11.086 12.912 -17.709 1.00 0.40 C ATOM 338 CD PRO A 26 11.267 12.470 -16.256 1.00 0.37 C ATOM 0 HA PRO A 26 8.612 14.388 -16.143 1.00 0.35 H new ATOM 0 HB2 PRO A 26 9.140 13.003 -18.653 1.00 0.38 H new ATOM 0 HB3 PRO A 26 9.775 14.567 -18.184 1.00 0.38 H new ATOM 0 HG2 PRO A 26 11.203 12.060 -18.379 1.00 0.40 H new ATOM 0 HG3 PRO A 26 11.852 13.639 -17.980 1.00 0.40 H new ATOM 0 HD2 PRO A 26 11.512 11.410 -16.184 1.00 0.37 H new ATOM 0 HD3 PRO A 26 12.072 13.017 -15.765 1.00 0.37 H new ATOM 346 N ARG A 27 6.767 13.072 -17.532 1.00 0.37 N ATOM 347 CA ARG A 27 5.503 12.322 -17.757 1.00 0.39 C ATOM 348 C ARG A 27 5.704 11.329 -18.901 1.00 0.41 C ATOM 349 O ARG A 27 5.225 10.216 -18.858 1.00 0.41 O ATOM 350 CB ARG A 27 4.387 13.309 -18.109 1.00 0.44 C ATOM 351 CG ARG A 27 4.756 14.073 -19.383 1.00 0.47 C ATOM 352 CD ARG A 27 3.848 15.297 -19.521 1.00 0.65 C ATOM 353 NE ARG A 27 4.058 15.927 -20.856 1.00 1.28 N ATOM 354 CZ ARG A 27 3.218 16.826 -21.292 1.00 1.77 C ATOM 355 NH1 ARG A 27 2.204 17.183 -20.552 1.00 2.03 N ATOM 356 NH2 ARG A 27 3.394 17.372 -22.464 1.00 2.62 N ATOM 0 H ARG A 27 6.852 13.944 -18.054 1.00 0.37 H new ATOM 0 HA ARG A 27 5.227 11.777 -16.854 1.00 0.39 H new ATOM 0 HB2 ARG A 27 3.448 12.775 -18.253 1.00 0.44 H new ATOM 0 HB3 ARG A 27 4.233 14.007 -17.286 1.00 0.44 H new ATOM 0 HG2 ARG A 27 5.800 14.383 -19.345 1.00 0.47 H new ATOM 0 HG3 ARG A 27 4.647 13.426 -20.253 1.00 0.47 H new ATOM 0 HD2 ARG A 27 2.805 15.003 -19.406 1.00 0.65 H new ATOM 0 HD3 ARG A 27 4.066 16.015 -18.730 1.00 0.65 H new ATOM 0 HE ARG A 27 4.858 15.656 -21.428 1.00 1.28 H new ATOM 0 HH11 ARG A 27 2.069 16.760 -19.634 1.00 2.03 H new ATOM 0 HH12 ARG A 27 1.547 17.885 -20.892 1.00 2.03 H new ATOM 0 HH21 ARG A 27 4.189 17.096 -23.041 1.00 2.62 H new ATOM 0 HH22 ARG A 27 2.737 18.074 -22.803 1.00 2.62 H new ATOM 370 N ALA A 28 6.420 11.720 -19.921 1.00 0.44 N ATOM 371 CA ALA A 28 6.655 10.794 -21.065 1.00 0.49 C ATOM 372 C ALA A 28 7.239 9.479 -20.547 1.00 0.46 C ATOM 373 O ALA A 28 6.826 8.407 -20.943 1.00 0.47 O ATOM 374 CB ALA A 28 7.642 11.438 -22.043 1.00 0.55 C ATOM 0 H ALA A 28 6.852 12.640 -20.011 1.00 0.44 H new ATOM 0 HA ALA A 28 5.711 10.596 -21.573 1.00 0.49 H new ATOM 0 HB1 ALA A 28 7.816 10.763 -22.881 1.00 0.55 H new ATOM 0 HB2 ALA A 28 7.228 12.376 -22.412 1.00 0.55 H new ATOM 0 HB3 ALA A 28 8.585 11.633 -21.532 1.00 0.55 H new ATOM 380 N ASP A 29 8.197 9.550 -19.665 1.00 0.45 N ATOM 381 CA ASP A 29 8.804 8.302 -19.125 1.00 0.45 C ATOM 382 C ASP A 29 7.798 7.583 -18.222 1.00 0.40 C ATOM 383 O ASP A 29 7.693 6.374 -18.236 1.00 0.41 O ATOM 384 CB ASP A 29 10.057 8.654 -18.322 1.00 0.47 C ATOM 385 CG ASP A 29 11.159 9.117 -19.277 1.00 0.53 C ATOM 386 OD1 ASP A 29 11.045 10.214 -19.796 1.00 1.16 O ATOM 387 OD2 ASP A 29 12.100 8.365 -19.472 1.00 1.26 O ATOM 0 H ASP A 29 8.585 10.418 -19.295 1.00 0.45 H new ATOM 0 HA ASP A 29 9.073 7.644 -19.951 1.00 0.45 H new ATOM 0 HB2 ASP A 29 9.831 9.440 -17.601 1.00 0.47 H new ATOM 0 HB3 ASP A 29 10.394 7.787 -17.754 1.00 0.47 H new ATOM 392 N VAL A 30 7.061 8.316 -17.431 1.00 0.37 N ATOM 393 CA VAL A 30 6.069 7.665 -16.529 1.00 0.34 C ATOM 394 C VAL A 30 4.916 7.094 -17.359 1.00 0.33 C ATOM 395 O VAL A 30 4.453 5.997 -17.119 1.00 0.32 O ATOM 396 CB VAL A 30 5.522 8.699 -15.546 1.00 0.35 C ATOM 397 CG1 VAL A 30 4.346 8.096 -14.772 1.00 0.35 C ATOM 398 CG2 VAL A 30 6.630 9.111 -14.571 1.00 0.37 C ATOM 0 H VAL A 30 7.103 9.333 -17.371 1.00 0.37 H new ATOM 0 HA VAL A 30 6.554 6.858 -15.980 1.00 0.34 H new ATOM 0 HB VAL A 30 5.179 9.578 -16.092 1.00 0.35 H new ATOM 0 HG11 VAL A 30 3.956 8.833 -14.071 1.00 0.35 H new ATOM 0 HG12 VAL A 30 3.560 7.808 -15.470 1.00 0.35 H new ATOM 0 HG13 VAL A 30 4.684 7.217 -14.223 1.00 0.35 H new ATOM 0 HG21 VAL A 30 6.241 9.849 -13.869 1.00 0.37 H new ATOM 0 HG22 VAL A 30 6.976 8.235 -14.022 1.00 0.37 H new ATOM 0 HG23 VAL A 30 7.462 9.543 -15.127 1.00 0.37 H new ATOM 408 N ASP A 31 4.450 7.826 -18.338 1.00 0.37 N ATOM 409 CA ASP A 31 3.330 7.314 -19.179 1.00 0.39 C ATOM 410 C ASP A 31 3.759 6.016 -19.848 1.00 0.37 C ATOM 411 O ASP A 31 3.002 5.069 -19.938 1.00 0.37 O ATOM 412 CB ASP A 31 2.977 8.334 -20.264 1.00 0.47 C ATOM 413 CG ASP A 31 1.509 8.738 -20.132 1.00 1.11 C ATOM 414 OD1 ASP A 31 0.665 7.984 -20.589 1.00 1.96 O ATOM 415 OD2 ASP A 31 1.253 9.795 -19.579 1.00 1.83 O ATOM 0 H ASP A 31 4.796 8.752 -18.590 1.00 0.37 H new ATOM 0 HA ASP A 31 2.460 7.144 -18.545 1.00 0.39 H new ATOM 0 HB2 ASP A 31 3.616 9.213 -20.173 1.00 0.47 H new ATOM 0 HB3 ASP A 31 3.160 7.908 -21.251 1.00 0.47 H new ATOM 420 N HIS A 32 4.972 5.961 -20.320 1.00 0.38 N ATOM 421 CA HIS A 32 5.444 4.720 -20.980 1.00 0.41 C ATOM 422 C HIS A 32 5.360 3.581 -19.972 1.00 0.35 C ATOM 423 O HIS A 32 4.821 2.537 -20.248 1.00 0.36 O ATOM 424 CB HIS A 32 6.895 4.898 -21.434 1.00 0.46 C ATOM 425 CG HIS A 32 7.355 3.661 -22.157 1.00 0.57 C ATOM 426 ND1 HIS A 32 6.863 3.312 -23.405 1.00 0.73 N ATOM 427 CD2 HIS A 32 8.265 2.687 -21.827 1.00 0.78 C ATOM 428 CE1 HIS A 32 7.475 2.173 -23.778 1.00 0.82 C ATOM 429 NE2 HIS A 32 8.340 1.749 -22.853 1.00 0.86 N ATOM 0 H HIS A 32 5.652 6.720 -20.276 1.00 0.38 H new ATOM 0 HA HIS A 32 4.827 4.499 -21.851 1.00 0.41 H new ATOM 0 HB2 HIS A 32 6.978 5.766 -22.089 1.00 0.46 H new ATOM 0 HB3 HIS A 32 7.535 5.087 -20.572 1.00 0.46 H new ATOM 0 HD1 HIS A 32 6.164 3.825 -23.943 1.00 0.73 H new ATOM 0 HD2 HIS A 32 8.836 2.654 -20.911 1.00 0.78 H new ATOM 0 HE1 HIS A 32 7.289 1.664 -24.712 1.00 0.82 H new ATOM 437 N ALA A 33 5.883 3.788 -18.796 1.00 0.33 N ATOM 438 CA ALA A 33 5.842 2.724 -17.755 1.00 0.32 C ATOM 439 C ALA A 33 4.395 2.302 -17.487 1.00 0.30 C ATOM 440 O ALA A 33 4.084 1.131 -17.424 1.00 0.30 O ATOM 441 CB ALA A 33 6.453 3.268 -16.463 1.00 0.33 C ATOM 0 H ALA A 33 6.340 4.654 -18.510 1.00 0.33 H new ATOM 0 HA ALA A 33 6.406 1.859 -18.104 1.00 0.32 H new ATOM 0 HB1 ALA A 33 6.427 2.495 -15.695 1.00 0.33 H new ATOM 0 HB2 ALA A 33 7.486 3.564 -16.645 1.00 0.33 H new ATOM 0 HB3 ALA A 33 5.882 4.133 -16.127 1.00 0.33 H new ATOM 447 N ILE A 34 3.506 3.239 -17.319 1.00 0.29 N ATOM 448 CA ILE A 34 2.089 2.872 -17.038 1.00 0.29 C ATOM 449 C ILE A 34 1.454 2.256 -18.283 1.00 0.28 C ATOM 450 O ILE A 34 0.699 1.303 -18.199 1.00 0.28 O ATOM 451 CB ILE A 34 1.303 4.123 -16.635 1.00 0.33 C ATOM 452 CG1 ILE A 34 1.914 4.757 -15.370 1.00 0.34 C ATOM 453 CG2 ILE A 34 -0.162 3.756 -16.382 1.00 0.36 C ATOM 454 CD1 ILE A 34 1.876 3.788 -14.175 1.00 0.37 C ATOM 0 H ILE A 34 3.697 4.240 -17.364 1.00 0.29 H new ATOM 0 HA ILE A 34 2.065 2.147 -16.224 1.00 0.29 H new ATOM 0 HB ILE A 34 1.356 4.848 -17.447 1.00 0.33 H new ATOM 0 HG12 ILE A 34 2.945 5.048 -15.570 1.00 0.34 H new ATOM 0 HG13 ILE A 34 1.369 5.667 -15.119 1.00 0.34 H new ATOM 0 HG21 ILE A 34 -0.717 4.650 -16.096 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -0.594 3.336 -17.290 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -0.219 3.021 -15.580 1.00 0.36 H new ATOM 0 HD11 ILE A 34 2.315 4.270 -13.302 1.00 0.37 H new ATOM 0 HD12 ILE A 34 0.843 3.517 -13.959 1.00 0.37 H new ATOM 0 HD13 ILE A 34 2.443 2.889 -14.417 1.00 0.37 H new ATOM 466 N GLU A 35 1.741 2.782 -19.437 1.00 0.30 N ATOM 467 CA GLU A 35 1.134 2.206 -20.663 1.00 0.32 C ATOM 468 C GLU A 35 1.715 0.810 -20.890 1.00 0.27 C ATOM 469 O GLU A 35 1.012 -0.101 -21.257 1.00 0.27 O ATOM 470 CB GLU A 35 1.459 3.107 -21.864 1.00 0.40 C ATOM 471 CG GLU A 35 0.831 2.533 -23.140 1.00 0.43 C ATOM 472 CD GLU A 35 1.151 3.448 -24.325 1.00 0.65 C ATOM 473 OE1 GLU A 35 1.865 4.417 -24.124 1.00 1.31 O ATOM 474 OE2 GLU A 35 0.680 3.162 -25.414 1.00 1.34 O ATOM 0 H GLU A 35 2.363 3.577 -19.584 1.00 0.30 H new ATOM 0 HA GLU A 35 0.052 2.139 -20.550 1.00 0.32 H new ATOM 0 HB2 GLU A 35 1.082 4.114 -21.685 1.00 0.40 H new ATOM 0 HB3 GLU A 35 2.539 3.188 -21.986 1.00 0.40 H new ATOM 0 HG2 GLU A 35 1.215 1.530 -23.327 1.00 0.43 H new ATOM 0 HG3 GLU A 35 -0.248 2.443 -23.018 1.00 0.43 H new ATOM 481 N LYS A 36 2.989 0.633 -20.663 1.00 0.29 N ATOM 482 CA LYS A 36 3.610 -0.711 -20.876 1.00 0.32 C ATOM 483 C LYS A 36 2.955 -1.756 -19.967 1.00 0.27 C ATOM 484 O LYS A 36 2.717 -2.876 -20.372 1.00 0.31 O ATOM 485 CB LYS A 36 5.103 -0.637 -20.548 1.00 0.41 C ATOM 486 CG LYS A 36 5.908 -1.401 -21.597 1.00 0.84 C ATOM 487 CD LYS A 36 7.396 -1.239 -21.292 1.00 0.91 C ATOM 488 CE LYS A 36 8.172 -2.392 -21.924 1.00 1.74 C ATOM 489 NZ LYS A 36 9.631 -2.175 -21.720 1.00 2.34 N ATOM 0 H LYS A 36 3.628 1.359 -20.339 1.00 0.29 H new ATOM 0 HA LYS A 36 3.464 -1.001 -21.917 1.00 0.32 H new ATOM 0 HB2 LYS A 36 5.426 0.404 -20.517 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.288 -1.057 -19.559 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.634 -2.456 -21.588 1.00 0.84 H new ATOM 0 HG3 LYS A 36 5.684 -1.022 -22.594 1.00 0.84 H new ATOM 0 HD2 LYS A 36 7.757 -0.287 -21.681 1.00 0.91 H new ATOM 0 HD3 LYS A 36 7.558 -1.225 -20.214 1.00 0.91 H new ATOM 0 HE2 LYS A 36 7.868 -3.338 -21.477 1.00 1.74 H new ATOM 0 HE3 LYS A 36 7.948 -2.456 -22.989 1.00 1.74 H new ATOM 0 HZ1 LYS A 36 10.162 -2.959 -22.150 1.00 2.34 H new ATOM 0 HZ2 LYS A 36 9.914 -1.279 -22.166 1.00 2.34 H new ATOM 0 HZ3 LYS A 36 9.837 -2.135 -20.701 1.00 2.34 H new ATOM 503 N ALA A 37 2.672 -1.412 -18.741 1.00 0.24 N ATOM 504 CA ALA A 37 2.048 -2.406 -17.824 1.00 0.24 C ATOM 505 C ALA A 37 0.685 -2.820 -18.374 1.00 0.23 C ATOM 506 O ALA A 37 0.359 -3.990 -18.420 1.00 0.23 O ATOM 507 CB ALA A 37 1.866 -1.790 -16.435 1.00 0.27 C ATOM 0 H ALA A 37 2.845 -0.492 -18.337 1.00 0.24 H new ATOM 0 HA ALA A 37 2.696 -3.279 -17.749 1.00 0.24 H new ATOM 0 HB1 ALA A 37 1.409 -2.522 -15.769 1.00 0.27 H new ATOM 0 HB2 ALA A 37 2.837 -1.495 -16.038 1.00 0.27 H new ATOM 0 HB3 ALA A 37 1.222 -0.914 -16.507 1.00 0.27 H new ATOM 513 N PHE A 38 -0.114 -1.882 -18.803 1.00 0.22 N ATOM 514 CA PHE A 38 -1.445 -2.262 -19.352 1.00 0.23 C ATOM 515 C PHE A 38 -1.257 -3.181 -20.559 1.00 0.23 C ATOM 516 O PHE A 38 -1.979 -4.143 -20.733 1.00 0.24 O ATOM 517 CB PHE A 38 -2.211 -1.009 -19.786 1.00 0.25 C ATOM 518 CG PHE A 38 -2.833 -0.350 -18.578 1.00 0.26 C ATOM 519 CD1 PHE A 38 -3.842 -1.013 -17.867 1.00 0.28 C ATOM 520 CD2 PHE A 38 -2.409 0.921 -18.170 1.00 0.26 C ATOM 521 CE1 PHE A 38 -4.426 -0.406 -16.749 1.00 0.30 C ATOM 522 CE2 PHE A 38 -2.994 1.527 -17.051 1.00 0.29 C ATOM 523 CZ PHE A 38 -4.002 0.864 -16.341 1.00 0.31 C ATOM 0 H PHE A 38 0.093 -0.883 -18.798 1.00 0.22 H new ATOM 0 HA PHE A 38 -2.012 -2.780 -18.579 1.00 0.23 H new ATOM 0 HB2 PHE A 38 -1.537 -0.313 -20.285 1.00 0.25 H new ATOM 0 HB3 PHE A 38 -2.985 -1.275 -20.506 1.00 0.25 H new ATOM 0 HD1 PHE A 38 -4.169 -1.993 -18.182 1.00 0.28 H new ATOM 0 HD2 PHE A 38 -1.632 1.433 -18.718 1.00 0.26 H new ATOM 0 HE1 PHE A 38 -5.204 -0.918 -16.201 1.00 0.30 H new ATOM 0 HE2 PHE A 38 -2.667 2.507 -16.736 1.00 0.29 H new ATOM 0 HZ PHE A 38 -4.452 1.332 -15.478 1.00 0.31 H new ATOM 533 N GLN A 39 -0.298 -2.898 -21.398 1.00 0.24 N ATOM 534 CA GLN A 39 -0.085 -3.767 -22.587 1.00 0.25 C ATOM 535 C GLN A 39 0.254 -5.190 -22.137 1.00 0.24 C ATOM 536 O GLN A 39 -0.232 -6.153 -22.691 1.00 0.25 O ATOM 537 CB GLN A 39 1.054 -3.212 -23.449 1.00 0.29 C ATOM 538 CG GLN A 39 0.652 -1.841 -24.001 1.00 0.35 C ATOM 539 CD GLN A 39 1.489 -1.501 -25.232 1.00 1.21 C ATOM 540 OE1 GLN A 39 2.541 -2.068 -25.447 1.00 1.97 O ATOM 541 NE2 GLN A 39 1.057 -0.584 -26.054 1.00 1.98 N ATOM 0 H GLN A 39 0.342 -2.109 -21.312 1.00 0.24 H new ATOM 0 HA GLN A 39 -1.001 -3.785 -23.178 1.00 0.25 H new ATOM 0 HB2 GLN A 39 1.964 -3.125 -22.856 1.00 0.29 H new ATOM 0 HB3 GLN A 39 1.272 -3.897 -24.269 1.00 0.29 H new ATOM 0 HG2 GLN A 39 -0.407 -1.842 -24.261 1.00 0.35 H new ATOM 0 HG3 GLN A 39 0.791 -1.078 -23.235 1.00 0.35 H new ATOM 0 HE21 GLN A 39 0.173 -0.110 -25.870 1.00 1.98 H new ATOM 0 HE22 GLN A 39 1.604 -0.341 -26.880 1.00 1.98 H new ATOM 550 N LEU A 40 1.075 -5.339 -21.133 1.00 0.22 N ATOM 551 CA LEU A 40 1.427 -6.714 -20.679 1.00 0.22 C ATOM 552 C LEU A 40 0.156 -7.455 -20.268 1.00 0.21 C ATOM 553 O LEU A 40 -0.003 -8.626 -20.548 1.00 0.22 O ATOM 554 CB LEU A 40 2.384 -6.644 -19.481 1.00 0.21 C ATOM 555 CG LEU A 40 3.760 -6.136 -19.935 1.00 0.23 C ATOM 556 CD1 LEU A 40 4.656 -5.922 -18.713 1.00 0.25 C ATOM 557 CD2 LEU A 40 4.423 -7.158 -20.869 1.00 0.25 C ATOM 0 H LEU A 40 1.512 -4.578 -20.613 1.00 0.22 H new ATOM 0 HA LEU A 40 1.915 -7.244 -21.497 1.00 0.22 H new ATOM 0 HB2 LEU A 40 1.976 -5.981 -18.718 1.00 0.21 H new ATOM 0 HB3 LEU A 40 2.483 -7.630 -19.027 1.00 0.21 H new ATOM 0 HG LEU A 40 3.627 -5.195 -20.469 1.00 0.23 H new ATOM 0 HD11 LEU A 40 5.632 -5.561 -19.036 1.00 0.25 H new ATOM 0 HD12 LEU A 40 4.199 -5.187 -18.051 1.00 0.25 H new ATOM 0 HD13 LEU A 40 4.776 -6.865 -18.180 1.00 0.25 H new ATOM 0 HD21 LEU A 40 5.398 -6.785 -21.183 1.00 0.25 H new ATOM 0 HD22 LEU A 40 4.549 -8.104 -20.342 1.00 0.25 H new ATOM 0 HD23 LEU A 40 3.794 -7.312 -21.746 1.00 0.25 H new ATOM 569 N TRP A 41 -0.755 -6.793 -19.612 1.00 0.21 N ATOM 570 CA TRP A 41 -2.008 -7.485 -19.202 1.00 0.21 C ATOM 571 C TRP A 41 -2.921 -7.660 -20.421 1.00 0.22 C ATOM 572 O TRP A 41 -3.551 -8.679 -20.592 1.00 0.24 O ATOM 573 CB TRP A 41 -2.722 -6.659 -18.132 1.00 0.23 C ATOM 574 CG TRP A 41 -1.901 -6.665 -16.884 1.00 0.24 C ATOM 575 CD1 TRP A 41 -1.247 -5.593 -16.382 1.00 0.26 C ATOM 576 CD2 TRP A 41 -1.621 -7.775 -15.982 1.00 0.25 C ATOM 577 NE1 TRP A 41 -0.588 -5.972 -15.226 1.00 0.27 N ATOM 578 CE2 TRP A 41 -0.788 -7.307 -14.938 1.00 0.26 C ATOM 579 CE3 TRP A 41 -2.008 -9.127 -15.966 1.00 0.26 C ATOM 580 CZ2 TRP A 41 -0.352 -8.151 -13.916 1.00 0.29 C ATOM 581 CZ3 TRP A 41 -1.571 -9.980 -14.938 1.00 0.30 C ATOM 582 CH2 TRP A 41 -0.745 -9.492 -13.915 1.00 0.30 C ATOM 0 H TRP A 41 -0.688 -5.811 -19.344 1.00 0.21 H new ATOM 0 HA TRP A 41 -1.765 -8.466 -18.794 1.00 0.21 H new ATOM 0 HB2 TRP A 41 -2.869 -5.637 -18.481 1.00 0.23 H new ATOM 0 HB3 TRP A 41 -3.711 -7.073 -17.934 1.00 0.23 H new ATOM 0 HD1 TRP A 41 -1.240 -4.603 -16.813 1.00 0.26 H new ATOM 0 HE1 TRP A 41 -0.023 -5.342 -14.656 1.00 0.27 H new ATOM 0 HE3 TRP A 41 -2.645 -9.512 -16.749 1.00 0.26 H new ATOM 0 HZ2 TRP A 41 0.285 -7.770 -13.131 1.00 0.29 H new ATOM 0 HZ3 TRP A 41 -1.873 -11.017 -14.936 1.00 0.30 H new ATOM 0 HH2 TRP A 41 -0.413 -10.152 -13.127 1.00 0.30 H new ATOM 593 N SER A 42 -2.999 -6.675 -21.272 1.00 0.23 N ATOM 594 CA SER A 42 -3.868 -6.799 -22.480 1.00 0.26 C ATOM 595 C SER A 42 -3.260 -7.808 -23.465 1.00 0.26 C ATOM 596 O SER A 42 -3.964 -8.505 -24.168 1.00 0.31 O ATOM 597 CB SER A 42 -4.001 -5.437 -23.160 1.00 0.27 C ATOM 598 OG SER A 42 -4.744 -5.585 -24.364 1.00 0.34 O ATOM 0 H SER A 42 -2.500 -5.790 -21.185 1.00 0.23 H new ATOM 0 HA SER A 42 -4.853 -7.150 -22.173 1.00 0.26 H new ATOM 0 HB2 SER A 42 -4.500 -4.732 -22.495 1.00 0.27 H new ATOM 0 HB3 SER A 42 -3.014 -5.027 -23.376 1.00 0.27 H new ATOM 0 HG SER A 42 -5.701 -5.616 -24.156 1.00 0.34 H new ATOM 604 N ASN A 43 -1.955 -7.871 -23.536 1.00 0.24 N ATOM 605 CA ASN A 43 -1.293 -8.811 -24.493 1.00 0.27 C ATOM 606 C ASN A 43 -1.697 -10.260 -24.211 1.00 0.27 C ATOM 607 O ASN A 43 -1.596 -11.105 -25.078 1.00 0.32 O ATOM 608 CB ASN A 43 0.229 -8.677 -24.379 1.00 0.30 C ATOM 609 CG ASN A 43 0.704 -7.471 -25.196 1.00 0.36 C ATOM 610 OD1 ASN A 43 1.147 -6.409 -24.583 1.00 1.05 O flip ATOM 611 ND2 ASN A 43 0.671 -7.498 -26.410 1.00 1.25 N flip ATOM 0 H ASN A 43 -1.317 -7.311 -22.971 1.00 0.24 H new ATOM 0 HA ASN A 43 -1.615 -8.552 -25.502 1.00 0.27 H new ATOM 0 HB2 ASN A 43 0.516 -8.556 -23.334 1.00 0.30 H new ATOM 0 HB3 ASN A 43 0.712 -9.585 -24.739 1.00 0.30 H new ATOM 0 HD21 ASN A 43 0.325 -8.327 -26.892 1.00 1.25 H new ATOM 0 HD22 ASN A 43 0.989 -6.691 -26.947 1.00 1.25 H new ATOM 618 N VAL A 44 -2.143 -10.558 -23.017 1.00 0.27 N ATOM 619 CA VAL A 44 -2.544 -11.965 -22.694 1.00 0.30 C ATOM 620 C VAL A 44 -4.036 -12.027 -22.355 1.00 0.28 C ATOM 621 O VAL A 44 -4.553 -13.082 -22.043 1.00 0.31 O ATOM 622 CB VAL A 44 -1.727 -12.482 -21.501 1.00 0.37 C ATOM 623 CG1 VAL A 44 -0.266 -12.668 -21.931 1.00 0.42 C ATOM 624 CG2 VAL A 44 -1.818 -11.483 -20.337 1.00 0.42 C ATOM 0 H VAL A 44 -2.247 -9.891 -22.252 1.00 0.27 H new ATOM 0 HA VAL A 44 -2.350 -12.590 -23.565 1.00 0.30 H new ATOM 0 HB VAL A 44 -2.127 -13.440 -21.169 1.00 0.37 H new ATOM 0 HG11 VAL A 44 0.318 -13.035 -21.087 1.00 0.42 H new ATOM 0 HG12 VAL A 44 -0.216 -13.388 -22.747 1.00 0.42 H new ATOM 0 HG13 VAL A 44 0.140 -11.713 -22.265 1.00 0.42 H new ATOM 0 HG21 VAL A 44 -1.237 -11.854 -19.493 1.00 0.42 H new ATOM 0 HG22 VAL A 44 -1.422 -10.518 -20.654 1.00 0.42 H new ATOM 0 HG23 VAL A 44 -2.860 -11.367 -20.037 1.00 0.42 H new ATOM 634 N THR A 45 -4.739 -10.916 -22.416 1.00 0.26 N ATOM 635 CA THR A 45 -6.206 -10.937 -22.096 1.00 0.28 C ATOM 636 C THR A 45 -6.972 -10.048 -23.105 1.00 0.28 C ATOM 637 O THR A 45 -6.506 -8.977 -23.442 1.00 0.26 O ATOM 638 CB THR A 45 -6.444 -10.363 -20.692 1.00 0.30 C ATOM 639 OG1 THR A 45 -5.856 -9.074 -20.605 1.00 0.33 O ATOM 640 CG2 THR A 45 -5.837 -11.274 -19.621 1.00 0.45 C ATOM 0 H THR A 45 -4.363 -10.003 -22.672 1.00 0.26 H new ATOM 0 HA THR A 45 -6.556 -11.968 -22.149 1.00 0.28 H new ATOM 0 HB THR A 45 -7.518 -10.296 -20.521 1.00 0.30 H new ATOM 0 HG1 THR A 45 -4.892 -9.164 -20.456 1.00 0.33 H new ATOM 0 HG21 THR A 45 -6.018 -10.847 -18.635 1.00 0.45 H new ATOM 0 HG22 THR A 45 -6.297 -12.261 -19.679 1.00 0.45 H new ATOM 0 HG23 THR A 45 -4.763 -11.364 -19.786 1.00 0.45 H new ATOM 648 N PRO A 46 -8.147 -10.450 -23.574 1.00 0.31 N ATOM 649 CA PRO A 46 -8.921 -9.595 -24.524 1.00 0.33 C ATOM 650 C PRO A 46 -9.333 -8.252 -23.910 1.00 0.32 C ATOM 651 O PRO A 46 -10.068 -7.489 -24.505 1.00 0.33 O ATOM 652 CB PRO A 46 -10.166 -10.437 -24.809 1.00 0.38 C ATOM 653 CG PRO A 46 -10.100 -11.724 -23.982 1.00 0.39 C ATOM 654 CD PRO A 46 -8.776 -11.755 -23.216 1.00 0.36 C ATOM 0 HA PRO A 46 -8.335 -9.339 -25.407 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -11.066 -9.875 -24.559 1.00 0.38 H new ATOM 0 HB3 PRO A 46 -10.224 -10.675 -25.871 1.00 0.38 H new ATOM 0 HG2 PRO A 46 -10.938 -11.769 -23.287 1.00 0.39 H new ATOM 0 HG3 PRO A 46 -10.179 -12.595 -24.633 1.00 0.39 H new ATOM 0 HD2 PRO A 46 -8.934 -11.845 -22.141 1.00 0.36 H new ATOM 0 HD3 PRO A 46 -8.155 -12.598 -23.518 1.00 0.36 H new ATOM 662 N LEU A 47 -8.877 -7.959 -22.724 1.00 0.30 N ATOM 663 CA LEU A 47 -9.257 -6.669 -22.081 1.00 0.30 C ATOM 664 C LEU A 47 -8.556 -5.515 -22.800 1.00 0.29 C ATOM 665 O LEU A 47 -7.499 -5.684 -23.374 1.00 0.31 O ATOM 666 CB LEU A 47 -8.829 -6.682 -20.609 1.00 0.30 C ATOM 667 CG LEU A 47 -9.520 -7.834 -19.869 1.00 0.32 C ATOM 668 CD1 LEU A 47 -8.908 -7.966 -18.467 1.00 0.37 C ATOM 669 CD2 LEU A 47 -11.037 -7.565 -19.769 1.00 0.36 C ATOM 0 H LEU A 47 -8.259 -8.555 -22.173 1.00 0.30 H new ATOM 0 HA LEU A 47 -10.337 -6.539 -22.145 1.00 0.30 H new ATOM 0 HB2 LEU A 47 -7.747 -6.791 -20.538 1.00 0.30 H new ATOM 0 HB3 LEU A 47 -9.085 -5.732 -20.139 1.00 0.30 H new ATOM 0 HG LEU A 47 -9.372 -8.764 -20.418 1.00 0.32 H new ATOM 0 HD11 LEU A 47 -9.394 -8.783 -17.933 1.00 0.37 H new ATOM 0 HD12 LEU A 47 -7.841 -8.172 -18.554 1.00 0.37 H new ATOM 0 HD13 LEU A 47 -9.054 -7.036 -17.917 1.00 0.37 H new ATOM 0 HD21 LEU A 47 -11.519 -8.389 -19.242 1.00 0.36 H new ATOM 0 HD22 LEU A 47 -11.207 -6.637 -19.224 1.00 0.36 H new ATOM 0 HD23 LEU A 47 -11.458 -7.480 -20.771 1.00 0.36 H new ATOM 681 N THR A 48 -9.140 -4.342 -22.767 1.00 0.28 N ATOM 682 CA THR A 48 -8.514 -3.165 -23.441 1.00 0.29 C ATOM 683 C THR A 48 -8.458 -1.999 -22.457 1.00 0.28 C ATOM 684 O THR A 48 -9.298 -1.871 -21.588 1.00 0.29 O ATOM 685 CB THR A 48 -9.354 -2.744 -24.650 1.00 0.33 C ATOM 686 OG1 THR A 48 -10.590 -2.215 -24.199 1.00 0.38 O ATOM 687 CG2 THR A 48 -9.613 -3.949 -25.553 1.00 0.38 C ATOM 0 H THR A 48 -10.026 -4.150 -22.300 1.00 0.28 H new ATOM 0 HA THR A 48 -7.511 -3.435 -23.771 1.00 0.29 H new ATOM 0 HB THR A 48 -8.813 -1.986 -25.217 1.00 0.33 H new ATOM 0 HG1 THR A 48 -11.325 -2.771 -24.533 1.00 0.38 H new ATOM 0 HG21 THR A 48 -10.211 -3.640 -26.410 1.00 0.38 H new ATOM 0 HG22 THR A 48 -8.663 -4.354 -25.901 1.00 0.38 H new ATOM 0 HG23 THR A 48 -10.150 -4.714 -24.993 1.00 0.38 H new ATOM 695 N PHE A 49 -7.474 -1.152 -22.596 1.00 0.27 N ATOM 696 CA PHE A 49 -7.343 0.016 -21.681 1.00 0.27 C ATOM 697 C PHE A 49 -7.263 1.299 -22.509 1.00 0.31 C ATOM 698 O PHE A 49 -6.872 1.282 -23.659 1.00 0.40 O ATOM 699 CB PHE A 49 -6.075 -0.138 -20.843 1.00 0.28 C ATOM 700 CG PHE A 49 -6.239 -1.312 -19.910 1.00 0.27 C ATOM 701 CD1 PHE A 49 -5.850 -2.591 -20.323 1.00 0.28 C ATOM 702 CD2 PHE A 49 -6.778 -1.123 -18.632 1.00 0.27 C ATOM 703 CE1 PHE A 49 -6.000 -3.682 -19.459 1.00 0.30 C ATOM 704 CE2 PHE A 49 -6.928 -2.212 -17.768 1.00 0.29 C ATOM 705 CZ PHE A 49 -6.540 -3.493 -18.181 1.00 0.30 C ATOM 0 H PHE A 49 -6.750 -1.221 -23.311 1.00 0.27 H new ATOM 0 HA PHE A 49 -8.208 0.066 -21.020 1.00 0.27 H new ATOM 0 HB2 PHE A 49 -5.212 -0.291 -21.491 1.00 0.28 H new ATOM 0 HB3 PHE A 49 -5.888 0.772 -20.273 1.00 0.28 H new ATOM 0 HD1 PHE A 49 -5.434 -2.737 -21.309 1.00 0.28 H new ATOM 0 HD2 PHE A 49 -7.078 -0.136 -18.313 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -5.699 -4.669 -19.778 1.00 0.30 H new ATOM 0 HE2 PHE A 49 -7.343 -2.065 -16.782 1.00 0.29 H new ATOM 0 HZ PHE A 49 -6.657 -4.334 -17.514 1.00 0.30 H new ATOM 715 N THR A 50 -7.636 2.410 -21.939 1.00 0.30 N ATOM 716 CA THR A 50 -7.584 3.689 -22.704 1.00 0.35 C ATOM 717 C THR A 50 -7.431 4.867 -21.738 1.00 0.30 C ATOM 718 O THR A 50 -8.133 4.976 -20.751 1.00 0.28 O ATOM 719 CB THR A 50 -8.876 3.858 -23.507 1.00 0.41 C ATOM 720 OG1 THR A 50 -9.006 2.780 -24.423 1.00 0.49 O ATOM 721 CG2 THR A 50 -8.832 5.181 -24.273 1.00 0.51 C ATOM 0 H THR A 50 -7.974 2.489 -20.980 1.00 0.30 H new ATOM 0 HA THR A 50 -6.731 3.665 -23.382 1.00 0.35 H new ATOM 0 HB THR A 50 -9.729 3.863 -22.829 1.00 0.41 H new ATOM 0 HG1 THR A 50 -9.834 2.886 -24.937 1.00 0.49 H new ATOM 0 HG21 THR A 50 -9.752 5.301 -24.845 1.00 0.51 H new ATOM 0 HG22 THR A 50 -8.732 6.006 -23.568 1.00 0.51 H new ATOM 0 HG23 THR A 50 -7.980 5.180 -24.953 1.00 0.51 H new ATOM 729 N LYS A 51 -6.506 5.745 -22.016 1.00 0.33 N ATOM 730 CA LYS A 51 -6.291 6.916 -21.123 1.00 0.33 C ATOM 731 C LYS A 51 -7.351 7.986 -21.413 1.00 0.33 C ATOM 732 O LYS A 51 -7.692 8.238 -22.552 1.00 0.36 O ATOM 733 CB LYS A 51 -4.889 7.481 -21.366 1.00 0.41 C ATOM 734 CG LYS A 51 -4.551 8.520 -20.294 1.00 0.48 C ATOM 735 CD LYS A 51 -3.050 8.818 -20.338 1.00 0.62 C ATOM 736 CE LYS A 51 -2.690 9.831 -19.249 1.00 1.17 C ATOM 737 NZ LYS A 51 -2.713 11.205 -19.822 1.00 1.93 N ATOM 0 H LYS A 51 -5.888 5.700 -22.827 1.00 0.33 H new ATOM 0 HA LYS A 51 -6.379 6.608 -20.081 1.00 0.33 H new ATOM 0 HB2 LYS A 51 -4.155 6.675 -21.348 1.00 0.41 H new ATOM 0 HB3 LYS A 51 -4.838 7.937 -22.355 1.00 0.41 H new ATOM 0 HG2 LYS A 51 -5.121 9.434 -20.464 1.00 0.48 H new ATOM 0 HG3 LYS A 51 -4.831 8.148 -19.309 1.00 0.48 H new ATOM 0 HD2 LYS A 51 -2.483 7.898 -20.194 1.00 0.62 H new ATOM 0 HD3 LYS A 51 -2.777 9.211 -21.317 1.00 0.62 H new ATOM 0 HE2 LYS A 51 -3.396 9.758 -18.422 1.00 1.17 H new ATOM 0 HE3 LYS A 51 -1.702 9.611 -18.845 1.00 1.17 H new ATOM 0 HZ1 LYS A 51 -2.468 11.894 -19.082 1.00 1.93 H new ATOM 0 HZ2 LYS A 51 -2.023 11.270 -20.597 1.00 1.93 H new ATOM 0 HZ3 LYS A 51 -3.664 11.413 -20.188 1.00 1.93 H new ATOM 751 N VAL A 52 -7.872 8.608 -20.385 1.00 0.32 N ATOM 752 CA VAL A 52 -8.917 9.665 -20.575 1.00 0.35 C ATOM 753 C VAL A 52 -8.431 10.973 -19.948 1.00 0.38 C ATOM 754 O VAL A 52 -7.966 10.987 -18.836 1.00 0.40 O ATOM 755 CB VAL A 52 -10.212 9.227 -19.885 1.00 0.37 C ATOM 756 CG1 VAL A 52 -10.759 7.977 -20.579 1.00 0.41 C ATOM 757 CG2 VAL A 52 -9.929 8.921 -18.406 1.00 0.40 C ATOM 0 H VAL A 52 -7.617 8.428 -19.414 1.00 0.32 H new ATOM 0 HA VAL A 52 -9.100 9.812 -21.639 1.00 0.35 H new ATOM 0 HB VAL A 52 -10.949 10.027 -19.949 1.00 0.37 H new ATOM 0 HG11 VAL A 52 -11.681 7.663 -20.090 1.00 0.41 H new ATOM 0 HG12 VAL A 52 -10.962 8.202 -21.626 1.00 0.41 H new ATOM 0 HG13 VAL A 52 -10.024 7.175 -20.516 1.00 0.41 H new ATOM 0 HG21 VAL A 52 -10.851 8.609 -17.916 1.00 0.40 H new ATOM 0 HG22 VAL A 52 -9.192 8.121 -18.334 1.00 0.40 H new ATOM 0 HG23 VAL A 52 -9.543 9.815 -17.917 1.00 0.40 H new ATOM 767 N SER A 53 -8.535 12.070 -20.650 1.00 0.43 N ATOM 768 CA SER A 53 -8.069 13.372 -20.079 1.00 0.49 C ATOM 769 C SER A 53 -9.252 14.133 -19.474 1.00 0.52 C ATOM 770 O SER A 53 -9.114 15.250 -19.016 1.00 0.58 O ATOM 771 CB SER A 53 -7.439 14.217 -21.187 1.00 0.56 C ATOM 772 OG SER A 53 -6.693 15.276 -20.602 1.00 0.66 O ATOM 0 H SER A 53 -8.921 12.123 -21.592 1.00 0.43 H new ATOM 0 HA SER A 53 -7.333 13.176 -19.300 1.00 0.49 H new ATOM 0 HB2 SER A 53 -6.790 13.599 -21.807 1.00 0.56 H new ATOM 0 HB3 SER A 53 -8.214 14.620 -21.839 1.00 0.56 H new ATOM 0 HG SER A 53 -7.198 15.657 -19.853 1.00 0.66 H new ATOM 778 N GLU A 54 -10.412 13.540 -19.469 1.00 0.51 N ATOM 779 CA GLU A 54 -11.606 14.228 -18.895 1.00 0.56 C ATOM 780 C GLU A 54 -12.592 13.184 -18.372 1.00 0.55 C ATOM 781 O GLU A 54 -12.562 12.035 -18.766 1.00 0.53 O ATOM 782 CB GLU A 54 -12.295 15.077 -19.971 1.00 0.65 C ATOM 783 CG GLU A 54 -11.433 16.296 -20.313 1.00 0.94 C ATOM 784 CD GLU A 54 -12.193 17.201 -21.285 1.00 1.29 C ATOM 785 OE1 GLU A 54 -13.404 17.071 -21.362 1.00 2.00 O ATOM 786 OE2 GLU A 54 -11.551 18.007 -21.939 1.00 1.76 O ATOM 0 H GLU A 54 -10.588 12.606 -19.838 1.00 0.51 H new ATOM 0 HA GLU A 54 -11.283 14.875 -18.080 1.00 0.56 H new ATOM 0 HB2 GLU A 54 -12.462 14.478 -20.866 1.00 0.65 H new ATOM 0 HB3 GLU A 54 -13.274 15.402 -19.617 1.00 0.65 H new ATOM 0 HG2 GLU A 54 -11.185 16.846 -19.405 1.00 0.94 H new ATOM 0 HG3 GLU A 54 -10.491 15.975 -20.758 1.00 0.94 H new ATOM 793 N GLY A 55 -13.470 13.574 -17.490 1.00 0.59 N ATOM 794 CA GLY A 55 -14.461 12.605 -16.947 1.00 0.61 C ATOM 795 C GLY A 55 -13.785 11.717 -15.904 1.00 0.56 C ATOM 796 O GLY A 55 -12.581 11.741 -15.742 1.00 0.52 O ATOM 0 H GLY A 55 -13.544 14.522 -17.122 1.00 0.59 H new ATOM 0 HA2 GLY A 55 -15.299 13.138 -16.498 1.00 0.61 H new ATOM 0 HA3 GLY A 55 -14.867 11.994 -17.753 1.00 0.61 H new ATOM 800 N GLN A 56 -14.546 10.929 -15.198 1.00 0.62 N ATOM 801 CA GLN A 56 -13.940 10.038 -14.172 1.00 0.59 C ATOM 802 C GLN A 56 -13.383 8.792 -14.854 1.00 0.45 C ATOM 803 O GLN A 56 -13.915 8.328 -15.844 1.00 0.56 O ATOM 804 CB GLN A 56 -15.004 9.622 -13.157 1.00 0.76 C ATOM 805 CG GLN A 56 -15.395 10.826 -12.301 1.00 1.45 C ATOM 806 CD GLN A 56 -16.553 10.438 -11.380 1.00 1.75 C ATOM 807 OE1 GLN A 56 -17.699 10.466 -11.782 1.00 1.82 O ATOM 808 NE2 GLN A 56 -16.301 10.067 -10.155 1.00 2.63 N ATOM 0 H GLN A 56 -15.560 10.864 -15.287 1.00 0.62 H new ATOM 0 HA GLN A 56 -13.139 10.570 -13.659 1.00 0.59 H new ATOM 0 HB2 GLN A 56 -15.880 9.230 -13.674 1.00 0.76 H new ATOM 0 HB3 GLN A 56 -14.623 8.821 -12.523 1.00 0.76 H new ATOM 0 HG2 GLN A 56 -14.542 11.159 -11.710 1.00 1.45 H new ATOM 0 HG3 GLN A 56 -15.687 11.661 -12.939 1.00 1.45 H new ATOM 0 HE21 GLN A 56 -15.339 10.043 -9.817 1.00 2.63 H new ATOM 0 HE22 GLN A 56 -17.066 9.801 -9.535 1.00 2.63 H new ATOM 817 N ALA A 57 -12.321 8.248 -14.326 1.00 0.36 N ATOM 818 CA ALA A 57 -11.719 7.026 -14.926 1.00 0.29 C ATOM 819 C ALA A 57 -11.940 5.845 -13.979 1.00 0.30 C ATOM 820 O ALA A 57 -12.010 6.008 -12.777 1.00 0.32 O ATOM 821 CB ALA A 57 -10.222 7.252 -15.134 1.00 0.37 C ATOM 0 H ALA A 57 -11.842 8.601 -13.498 1.00 0.36 H new ATOM 0 HA ALA A 57 -12.186 6.812 -15.887 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -9.777 6.359 -15.573 1.00 0.37 H new ATOM 0 HB2 ALA A 57 -10.071 8.099 -15.803 1.00 0.37 H new ATOM 0 HB3 ALA A 57 -9.748 7.459 -14.174 1.00 0.37 H new ATOM 827 N ASP A 58 -12.058 4.659 -14.509 1.00 0.30 N ATOM 828 CA ASP A 58 -12.284 3.476 -13.632 1.00 0.32 C ATOM 829 C ASP A 58 -11.117 3.332 -12.657 1.00 0.29 C ATOM 830 O ASP A 58 -11.308 3.023 -11.497 1.00 0.33 O ATOM 831 CB ASP A 58 -12.392 2.215 -14.489 1.00 0.35 C ATOM 832 CG ASP A 58 -13.701 2.247 -15.281 1.00 0.42 C ATOM 833 OD1 ASP A 58 -14.624 2.907 -14.833 1.00 1.12 O ATOM 834 OD2 ASP A 58 -13.757 1.613 -16.321 1.00 1.14 O ATOM 0 H ASP A 58 -12.008 4.458 -15.508 1.00 0.30 H new ATOM 0 HA ASP A 58 -13.209 3.613 -13.072 1.00 0.32 H new ATOM 0 HB2 ASP A 58 -11.544 2.152 -15.170 1.00 0.35 H new ATOM 0 HB3 ASP A 58 -12.359 1.328 -13.856 1.00 0.35 H new ATOM 839 N ILE A 59 -9.912 3.561 -13.118 1.00 0.25 N ATOM 840 CA ILE A 59 -8.727 3.446 -12.217 1.00 0.25 C ATOM 841 C ILE A 59 -8.046 4.812 -12.128 1.00 0.24 C ATOM 842 O ILE A 59 -7.591 5.358 -13.115 1.00 0.25 O ATOM 843 CB ILE A 59 -7.747 2.419 -12.806 1.00 0.26 C ATOM 844 CG1 ILE A 59 -8.459 1.063 -12.921 1.00 0.30 C ATOM 845 CG2 ILE A 59 -6.524 2.274 -11.882 1.00 0.30 C ATOM 846 CD1 ILE A 59 -7.642 0.108 -13.799 1.00 0.34 C ATOM 0 H ILE A 59 -9.699 3.823 -14.081 1.00 0.25 H new ATOM 0 HA ILE A 59 -9.037 3.123 -11.223 1.00 0.25 H new ATOM 0 HB ILE A 59 -7.415 2.753 -13.789 1.00 0.26 H new ATOM 0 HG12 ILE A 59 -8.595 0.630 -11.930 1.00 0.30 H new ATOM 0 HG13 ILE A 59 -9.452 1.201 -13.348 1.00 0.30 H new ATOM 0 HG21 ILE A 59 -5.833 1.545 -12.305 1.00 0.30 H new ATOM 0 HG22 ILE A 59 -6.022 3.237 -11.788 1.00 0.30 H new ATOM 0 HG23 ILE A 59 -6.849 1.937 -10.898 1.00 0.30 H new ATOM 0 HD11 ILE A 59 -8.158 -0.850 -13.872 1.00 0.34 H new ATOM 0 HD12 ILE A 59 -7.529 0.536 -14.795 1.00 0.34 H new ATOM 0 HD13 ILE A 59 -6.658 -0.043 -13.355 1.00 0.34 H new ATOM 858 N MET A 60 -7.966 5.358 -10.946 1.00 0.26 N ATOM 859 CA MET A 60 -7.309 6.683 -10.767 1.00 0.29 C ATOM 860 C MET A 60 -5.915 6.483 -10.171 1.00 0.27 C ATOM 861 O MET A 60 -5.751 5.793 -9.184 1.00 0.29 O ATOM 862 CB MET A 60 -8.147 7.545 -9.823 1.00 0.34 C ATOM 863 CG MET A 60 -9.542 7.747 -10.419 1.00 0.45 C ATOM 864 SD MET A 60 -10.385 9.094 -9.551 1.00 1.18 S ATOM 865 CE MET A 60 -9.721 10.463 -10.535 1.00 0.69 C ATOM 0 H MET A 60 -8.330 4.940 -10.090 1.00 0.26 H new ATOM 0 HA MET A 60 -7.224 7.180 -11.733 1.00 0.29 H new ATOM 0 HB2 MET A 60 -8.223 7.066 -8.847 1.00 0.34 H new ATOM 0 HB3 MET A 60 -7.663 8.509 -9.668 1.00 0.34 H new ATOM 0 HG2 MET A 60 -9.464 7.978 -11.481 1.00 0.45 H new ATOM 0 HG3 MET A 60 -10.121 6.828 -10.334 1.00 0.45 H new ATOM 0 HE1 MET A 60 -10.120 11.406 -10.162 1.00 0.69 H new ATOM 0 HE2 MET A 60 -8.634 10.473 -10.458 1.00 0.69 H new ATOM 0 HE3 MET A 60 -10.009 10.334 -11.578 1.00 0.69 H new ATOM 875 N ILE A 61 -4.916 7.089 -10.758 1.00 0.28 N ATOM 876 CA ILE A 61 -3.525 6.953 -10.231 1.00 0.28 C ATOM 877 C ILE A 61 -3.043 8.317 -9.739 1.00 0.27 C ATOM 878 O ILE A 61 -3.124 9.308 -10.438 1.00 0.29 O ATOM 879 CB ILE A 61 -2.612 6.433 -11.353 1.00 0.30 C ATOM 880 CG1 ILE A 61 -3.124 5.057 -11.799 1.00 0.35 C ATOM 881 CG2 ILE A 61 -1.154 6.311 -10.871 1.00 0.32 C ATOM 882 CD1 ILE A 61 -2.398 4.615 -13.072 1.00 0.40 C ATOM 0 H ILE A 61 -5.005 7.677 -11.587 1.00 0.28 H new ATOM 0 HA ILE A 61 -3.501 6.248 -9.400 1.00 0.28 H new ATOM 0 HB ILE A 61 -2.633 7.138 -12.184 1.00 0.30 H new ATOM 0 HG12 ILE A 61 -2.963 4.326 -11.007 1.00 0.35 H new ATOM 0 HG13 ILE A 61 -4.198 5.101 -11.980 1.00 0.35 H new ATOM 0 HG21 ILE A 61 -0.531 5.941 -11.685 1.00 0.32 H new ATOM 0 HG22 ILE A 61 -0.793 7.289 -10.554 1.00 0.32 H new ATOM 0 HG23 ILE A 61 -1.105 5.616 -10.032 1.00 0.32 H new ATOM 0 HD11 ILE A 61 -2.768 3.637 -13.381 1.00 0.40 H new ATOM 0 HD12 ILE A 61 -2.581 5.340 -13.865 1.00 0.40 H new ATOM 0 HD13 ILE A 61 -1.327 4.553 -12.877 1.00 0.40 H new ATOM 894 N SER A 62 -2.531 8.371 -8.539 1.00 0.25 N ATOM 895 CA SER A 62 -2.032 9.665 -8.002 1.00 0.26 C ATOM 896 C SER A 62 -0.884 9.398 -7.026 1.00 0.24 C ATOM 897 O SER A 62 -0.766 8.325 -6.463 1.00 0.25 O ATOM 898 CB SER A 62 -3.164 10.395 -7.276 1.00 0.30 C ATOM 899 OG SER A 62 -3.414 9.756 -6.032 1.00 0.33 O ATOM 0 H SER A 62 -2.438 7.574 -7.909 1.00 0.25 H new ATOM 0 HA SER A 62 -1.676 10.286 -8.824 1.00 0.26 H new ATOM 0 HB2 SER A 62 -2.894 11.438 -7.114 1.00 0.30 H new ATOM 0 HB3 SER A 62 -4.066 10.391 -7.888 1.00 0.30 H new ATOM 0 HG SER A 62 -4.138 10.223 -5.564 1.00 0.33 H new ATOM 905 N PHE A 63 -0.039 10.371 -6.830 1.00 0.24 N ATOM 906 CA PHE A 63 1.114 10.204 -5.901 1.00 0.23 C ATOM 907 C PHE A 63 0.838 10.987 -4.613 1.00 0.23 C ATOM 908 O PHE A 63 0.291 12.072 -4.650 1.00 0.25 O ATOM 909 CB PHE A 63 2.367 10.750 -6.584 1.00 0.24 C ATOM 910 CG PHE A 63 2.757 9.842 -7.726 1.00 0.26 C ATOM 911 CD1 PHE A 63 2.219 10.055 -9.000 1.00 0.29 C ATOM 912 CD2 PHE A 63 3.660 8.793 -7.514 1.00 0.27 C ATOM 913 CE1 PHE A 63 2.584 9.220 -10.063 1.00 0.32 C ATOM 914 CE2 PHE A 63 4.024 7.957 -8.577 1.00 0.30 C ATOM 915 CZ PHE A 63 3.486 8.171 -9.851 1.00 0.32 C ATOM 0 H PHE A 63 -0.099 11.285 -7.279 1.00 0.24 H new ATOM 0 HA PHE A 63 1.258 9.152 -5.654 1.00 0.23 H new ATOM 0 HB2 PHE A 63 2.182 11.758 -6.955 1.00 0.24 H new ATOM 0 HB3 PHE A 63 3.184 10.820 -5.866 1.00 0.24 H new ATOM 0 HD1 PHE A 63 1.522 10.864 -9.163 1.00 0.29 H new ATOM 0 HD2 PHE A 63 4.076 8.629 -6.531 1.00 0.27 H new ATOM 0 HE1 PHE A 63 2.170 9.385 -11.047 1.00 0.32 H new ATOM 0 HE2 PHE A 63 4.720 7.147 -8.414 1.00 0.30 H new ATOM 0 HZ PHE A 63 3.767 7.527 -10.671 1.00 0.32 H new ATOM 925 N VAL A 64 1.195 10.439 -3.474 1.00 0.24 N ATOM 926 CA VAL A 64 0.934 11.149 -2.177 1.00 0.27 C ATOM 927 C VAL A 64 2.191 11.136 -1.299 1.00 0.26 C ATOM 928 O VAL A 64 3.132 10.408 -1.554 1.00 0.26 O ATOM 929 CB VAL A 64 -0.201 10.445 -1.427 1.00 0.31 C ATOM 930 CG1 VAL A 64 -1.504 10.557 -2.222 1.00 0.38 C ATOM 931 CG2 VAL A 64 0.157 8.968 -1.237 1.00 0.33 C ATOM 0 H VAL A 64 1.655 9.533 -3.385 1.00 0.24 H new ATOM 0 HA VAL A 64 0.657 12.181 -2.395 1.00 0.27 H new ATOM 0 HB VAL A 64 -0.336 10.919 -0.455 1.00 0.31 H new ATOM 0 HG11 VAL A 64 -2.305 10.053 -1.681 1.00 0.38 H new ATOM 0 HG12 VAL A 64 -1.760 11.608 -2.354 1.00 0.38 H new ATOM 0 HG13 VAL A 64 -1.376 10.089 -3.198 1.00 0.38 H new ATOM 0 HG21 VAL A 64 -0.649 8.464 -0.703 1.00 0.33 H new ATOM 0 HG22 VAL A 64 0.296 8.499 -2.211 1.00 0.33 H new ATOM 0 HG23 VAL A 64 1.079 8.888 -0.661 1.00 0.33 H new ATOM 941 N ARG A 65 2.204 11.937 -0.258 1.00 0.28 N ATOM 942 CA ARG A 65 3.387 11.976 0.657 1.00 0.31 C ATOM 943 C ARG A 65 2.927 12.025 2.111 1.00 0.33 C ATOM 944 O ARG A 65 1.890 12.574 2.428 1.00 0.37 O ATOM 945 CB ARG A 65 4.240 13.218 0.376 1.00 0.32 C ATOM 946 CG ARG A 65 5.060 12.995 -0.893 1.00 0.35 C ATOM 947 CD ARG A 65 6.084 14.120 -1.083 1.00 0.42 C ATOM 948 NE ARG A 65 5.550 15.127 -2.039 1.00 1.33 N ATOM 949 CZ ARG A 65 6.119 16.296 -2.129 1.00 1.88 C ATOM 950 NH1 ARG A 65 7.142 16.579 -1.371 1.00 1.96 N ATOM 951 NH2 ARG A 65 5.668 17.179 -2.976 1.00 2.97 N ATOM 0 H ARG A 65 1.443 12.567 -0.004 1.00 0.28 H new ATOM 0 HA ARG A 65 3.977 11.076 0.483 1.00 0.31 H new ATOM 0 HB2 ARG A 65 3.600 14.093 0.260 1.00 0.32 H new ATOM 0 HB3 ARG A 65 4.902 13.417 1.219 1.00 0.32 H new ATOM 0 HG2 ARG A 65 5.574 12.035 -0.836 1.00 0.35 H new ATOM 0 HG3 ARG A 65 4.397 12.951 -1.757 1.00 0.35 H new ATOM 0 HD2 ARG A 65 6.301 14.593 -0.125 1.00 0.42 H new ATOM 0 HD3 ARG A 65 7.023 13.711 -1.457 1.00 0.42 H new ATOM 0 HE ARG A 65 4.743 14.904 -2.621 1.00 1.33 H new ATOM 0 HH11 ARG A 65 7.494 15.886 -0.710 1.00 1.96 H new ATOM 0 HH12 ARG A 65 7.590 17.493 -1.439 1.00 1.96 H new ATOM 0 HH21 ARG A 65 4.869 16.955 -3.569 1.00 2.97 H new ATOM 0 HH22 ARG A 65 6.114 18.094 -3.045 1.00 2.97 H new ATOM 965 N GLY A 66 3.709 11.463 2.996 1.00 0.37 N ATOM 966 CA GLY A 66 3.351 11.472 4.442 1.00 0.43 C ATOM 967 C GLY A 66 1.861 11.180 4.607 1.00 0.40 C ATOM 968 O GLY A 66 1.297 10.360 3.911 1.00 0.36 O ATOM 0 H GLY A 66 4.588 10.995 2.775 1.00 0.37 H new ATOM 0 HA2 GLY A 66 3.939 10.726 4.976 1.00 0.43 H new ATOM 0 HA3 GLY A 66 3.592 12.441 4.880 1.00 0.43 H new ATOM 972 N ASP A 67 1.219 11.853 5.520 1.00 0.47 N ATOM 973 CA ASP A 67 -0.236 11.624 5.726 1.00 0.49 C ATOM 974 C ASP A 67 -1.021 12.338 4.623 1.00 0.49 C ATOM 975 O ASP A 67 -0.815 13.507 4.363 1.00 0.55 O ATOM 976 CB ASP A 67 -0.651 12.174 7.090 1.00 0.57 C ATOM 977 CG ASP A 67 -2.137 11.896 7.320 1.00 0.63 C ATOM 978 OD1 ASP A 67 -2.461 10.779 7.687 1.00 1.32 O ATOM 979 OD2 ASP A 67 -2.926 12.806 7.125 1.00 1.19 O ATOM 0 H ASP A 67 1.640 12.552 6.132 1.00 0.47 H new ATOM 0 HA ASP A 67 -0.447 10.555 5.690 1.00 0.49 H new ATOM 0 HB2 ASP A 67 -0.057 11.710 7.877 1.00 0.57 H new ATOM 0 HB3 ASP A 67 -0.459 13.246 7.136 1.00 0.57 H new ATOM 984 N HIS A 68 -1.913 11.637 3.973 1.00 0.47 N ATOM 985 CA HIS A 68 -2.719 12.257 2.879 1.00 0.51 C ATOM 986 C HIS A 68 -4.198 11.929 3.087 1.00 0.56 C ATOM 987 O HIS A 68 -4.869 11.450 2.195 1.00 0.58 O ATOM 988 CB HIS A 68 -2.252 11.703 1.534 1.00 0.49 C ATOM 989 CG HIS A 68 -2.178 10.204 1.610 1.00 0.45 C ATOM 990 ND1 HIS A 68 -1.307 9.550 2.467 1.00 0.44 N ATOM 991 CD2 HIS A 68 -2.858 9.216 0.941 1.00 0.48 C ATOM 992 CE1 HIS A 68 -1.484 8.228 2.294 1.00 0.46 C ATOM 993 NE2 HIS A 68 -2.418 7.969 1.375 1.00 0.47 N ATOM 0 H HIS A 68 -2.119 10.655 4.154 1.00 0.47 H new ATOM 0 HA HIS A 68 -2.586 13.339 2.892 1.00 0.51 H new ATOM 0 HB2 HIS A 68 -2.941 12.005 0.745 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -1.275 12.114 1.278 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.651 9.991 3.112 1.00 0.44 H new ATOM 0 HD2 HIS A 68 -3.618 9.382 0.192 1.00 0.48 H new ATOM 0 HE1 HIS A 68 -0.937 7.468 2.833 1.00 0.46 H new ATOM 1001 N ARG A 69 -4.704 12.178 4.265 1.00 0.62 N ATOM 1002 CA ARG A 69 -6.138 11.885 4.556 1.00 0.69 C ATOM 1003 C ARG A 69 -6.409 10.395 4.355 1.00 0.62 C ATOM 1004 O ARG A 69 -7.316 10.016 3.640 1.00 0.66 O ATOM 1005 CB ARG A 69 -7.053 12.686 3.627 1.00 0.80 C ATOM 1006 CG ARG A 69 -6.622 14.159 3.614 1.00 0.94 C ATOM 1007 CD ARG A 69 -7.835 15.073 3.380 1.00 1.09 C ATOM 1008 NE ARG A 69 -7.494 16.118 2.378 1.00 1.79 N ATOM 1009 CZ ARG A 69 -8.450 16.812 1.824 1.00 2.44 C ATOM 1010 NH1 ARG A 69 -9.688 16.604 2.179 1.00 2.66 N ATOM 1011 NH2 ARG A 69 -8.171 17.711 0.921 1.00 3.44 N ATOM 0 H ARG A 69 -4.181 12.575 5.045 1.00 0.62 H new ATOM 0 HA ARG A 69 -6.343 12.168 5.589 1.00 0.69 H new ATOM 0 HB2 ARG A 69 -7.010 12.276 2.618 1.00 0.80 H new ATOM 0 HB3 ARG A 69 -8.087 12.603 3.961 1.00 0.80 H new ATOM 0 HG2 ARG A 69 -6.145 14.413 4.561 1.00 0.94 H new ATOM 0 HG3 ARG A 69 -5.881 14.320 2.831 1.00 0.94 H new ATOM 0 HD2 ARG A 69 -8.683 14.484 3.030 1.00 1.09 H new ATOM 0 HD3 ARG A 69 -8.136 15.540 4.318 1.00 1.09 H new ATOM 0 HE ARG A 69 -6.521 16.291 2.126 1.00 1.79 H new ATOM 0 HH11 ARG A 69 -9.905 15.902 2.886 1.00 2.66 H new ATOM 0 HH12 ARG A 69 -10.439 17.144 1.749 1.00 2.66 H new ATOM 0 HH21 ARG A 69 -7.202 17.874 0.645 1.00 3.44 H new ATOM 0 HH22 ARG A 69 -8.921 18.251 0.490 1.00 3.44 H new ATOM 1025 N ASP A 70 -5.630 9.549 4.973 1.00 0.57 N ATOM 1026 CA ASP A 70 -5.843 8.082 4.811 1.00 0.58 C ATOM 1027 C ASP A 70 -5.637 7.388 6.157 1.00 0.63 C ATOM 1028 O ASP A 70 -5.049 7.937 7.068 1.00 0.64 O ATOM 1029 CB ASP A 70 -4.838 7.534 3.785 1.00 0.56 C ATOM 1030 CG ASP A 70 -5.551 6.847 2.605 1.00 1.54 C ATOM 1031 OD1 ASP A 70 -6.763 6.711 2.639 1.00 2.40 O ATOM 1032 OD2 ASP A 70 -4.860 6.471 1.675 1.00 2.11 O ATOM 0 H ASP A 70 -4.855 9.810 5.583 1.00 0.57 H new ATOM 0 HA ASP A 70 -6.858 7.893 4.460 1.00 0.58 H new ATOM 0 HB2 ASP A 70 -4.217 8.349 3.412 1.00 0.56 H new ATOM 0 HB3 ASP A 70 -4.171 6.823 4.272 1.00 0.56 H new ATOM 1037 N ASN A 71 -6.132 6.189 6.293 1.00 0.71 N ATOM 1038 CA ASN A 71 -5.981 5.462 7.583 1.00 0.81 C ATOM 1039 C ASN A 71 -4.683 4.655 7.570 1.00 0.81 C ATOM 1040 O ASN A 71 -4.424 3.867 8.458 1.00 0.91 O ATOM 1041 CB ASN A 71 -7.169 4.518 7.771 1.00 0.95 C ATOM 1042 CG ASN A 71 -8.471 5.314 7.658 1.00 1.54 C ATOM 1043 OD1 ASN A 71 -8.507 6.352 7.027 1.00 2.27 O ATOM 1044 ND2 ASN A 71 -9.546 4.873 8.250 1.00 2.20 N ATOM 0 H ASN A 71 -6.635 5.681 5.565 1.00 0.71 H new ATOM 0 HA ASN A 71 -5.949 6.179 8.404 1.00 0.81 H new ATOM 0 HB2 ASN A 71 -7.145 3.730 7.018 1.00 0.95 H new ATOM 0 HB3 ASN A 71 -7.111 4.031 8.744 1.00 0.95 H new ATOM 0 HD21 ASN A 71 -10.417 5.399 8.183 1.00 2.20 H new ATOM 0 HD22 ASN A 71 -9.516 4.002 8.780 1.00 2.20 H new ATOM 1051 N SER A 72 -3.860 4.855 6.573 1.00 0.70 N ATOM 1052 CA SER A 72 -2.568 4.113 6.499 1.00 0.71 C ATOM 1053 C SER A 72 -1.447 5.072 6.079 1.00 0.59 C ATOM 1054 O SER A 72 -0.875 4.929 5.017 1.00 0.57 O ATOM 1055 CB SER A 72 -2.688 2.992 5.466 1.00 0.80 C ATOM 1056 OG SER A 72 -3.640 2.037 5.917 1.00 1.33 O ATOM 0 H SER A 72 -4.029 5.503 5.804 1.00 0.70 H new ATOM 0 HA SER A 72 -2.336 3.690 7.476 1.00 0.71 H new ATOM 0 HB2 SER A 72 -2.994 3.401 4.503 1.00 0.80 H new ATOM 0 HB3 SER A 72 -1.720 2.515 5.316 1.00 0.80 H new ATOM 0 HG SER A 72 -3.720 1.318 5.256 1.00 1.33 H new ATOM 1062 N PRO A 73 -1.129 6.042 6.904 1.00 0.53 N ATOM 1063 CA PRO A 73 -0.049 7.012 6.571 1.00 0.44 C ATOM 1064 C PRO A 73 1.315 6.335 6.410 1.00 0.40 C ATOM 1065 O PRO A 73 1.615 5.357 7.065 1.00 0.46 O ATOM 1066 CB PRO A 73 -0.044 7.944 7.784 1.00 0.48 C ATOM 1067 CG PRO A 73 -1.117 7.480 8.776 1.00 0.59 C ATOM 1068 CD PRO A 73 -1.817 6.243 8.208 1.00 0.62 C ATOM 0 HA PRO A 73 -0.225 7.517 5.621 1.00 0.44 H new ATOM 0 HB2 PRO A 73 0.937 7.937 8.260 1.00 0.48 H new ATOM 0 HB3 PRO A 73 -0.239 8.970 7.471 1.00 0.48 H new ATOM 0 HG2 PRO A 73 -0.664 7.247 9.740 1.00 0.59 H new ATOM 0 HG3 PRO A 73 -1.841 8.277 8.948 1.00 0.59 H new ATOM 0 HD2 PRO A 73 -1.704 5.379 8.862 1.00 0.62 H new ATOM 0 HD3 PRO A 73 -2.887 6.407 8.079 1.00 0.62 H new ATOM 1076 N PHE A 74 2.145 6.851 5.546 1.00 0.36 N ATOM 1077 CA PHE A 74 3.488 6.239 5.349 1.00 0.38 C ATOM 1078 C PHE A 74 4.389 6.620 6.524 1.00 0.45 C ATOM 1079 O PHE A 74 4.323 7.723 7.030 1.00 0.49 O ATOM 1080 CB PHE A 74 4.101 6.759 4.047 1.00 0.36 C ATOM 1081 CG PHE A 74 3.312 6.230 2.874 1.00 0.33 C ATOM 1082 CD1 PHE A 74 3.670 5.013 2.282 1.00 0.36 C ATOM 1083 CD2 PHE A 74 2.224 6.958 2.378 1.00 0.34 C ATOM 1084 CE1 PHE A 74 2.939 4.524 1.193 1.00 0.39 C ATOM 1085 CE2 PHE A 74 1.493 6.468 1.290 1.00 0.36 C ATOM 1086 CZ PHE A 74 1.851 5.252 0.698 1.00 0.38 C ATOM 0 H PHE A 74 1.951 7.669 4.969 1.00 0.36 H new ATOM 0 HA PHE A 74 3.393 5.155 5.295 1.00 0.38 H new ATOM 0 HB2 PHE A 74 4.097 7.849 4.040 1.00 0.36 H new ATOM 0 HB3 PHE A 74 5.142 6.444 3.971 1.00 0.36 H new ATOM 0 HD1 PHE A 74 4.509 4.452 2.665 1.00 0.36 H new ATOM 0 HD2 PHE A 74 1.949 7.897 2.835 1.00 0.34 H new ATOM 0 HE1 PHE A 74 3.214 3.585 0.735 1.00 0.39 H new ATOM 0 HE2 PHE A 74 0.653 7.028 0.907 1.00 0.36 H new ATOM 0 HZ PHE A 74 1.287 4.875 -0.142 1.00 0.38 H new ATOM 1096 N ASP A 75 5.229 5.715 6.959 1.00 0.53 N ATOM 1097 CA ASP A 75 6.139 6.013 8.103 1.00 0.64 C ATOM 1098 C ASP A 75 7.584 6.062 7.607 1.00 0.57 C ATOM 1099 O ASP A 75 8.371 5.175 7.870 1.00 0.63 O ATOM 1100 CB ASP A 75 6.009 4.912 9.157 1.00 0.82 C ATOM 1101 CG ASP A 75 6.784 5.317 10.413 1.00 0.96 C ATOM 1102 OD1 ASP A 75 7.389 6.376 10.395 1.00 1.45 O ATOM 1103 OD2 ASP A 75 6.764 4.558 11.367 1.00 1.49 O ATOM 0 H ASP A 75 5.323 4.778 6.568 1.00 0.53 H new ATOM 0 HA ASP A 75 5.868 6.975 8.539 1.00 0.64 H new ATOM 0 HB2 ASP A 75 4.959 4.749 9.401 1.00 0.82 H new ATOM 0 HB3 ASP A 75 6.395 3.971 8.765 1.00 0.82 H new ATOM 1108 N GLY A 76 7.942 7.095 6.898 1.00 0.57 N ATOM 1109 CA GLY A 76 9.342 7.201 6.397 1.00 0.63 C ATOM 1110 C GLY A 76 9.554 6.216 5.242 1.00 0.52 C ATOM 1111 O GLY A 76 8.617 5.610 4.760 1.00 0.46 O ATOM 0 H GLY A 76 7.328 7.869 6.644 1.00 0.57 H new ATOM 0 HA2 GLY A 76 9.542 8.218 6.061 1.00 0.63 H new ATOM 0 HA3 GLY A 76 10.044 6.988 7.203 1.00 0.63 H new ATOM 1115 N PRO A 77 10.777 6.058 4.796 1.00 0.58 N ATOM 1116 CA PRO A 77 11.077 5.127 3.674 1.00 0.58 C ATOM 1117 C PRO A 77 10.726 3.676 4.011 1.00 0.53 C ATOM 1118 O PRO A 77 10.702 2.817 3.152 1.00 0.58 O ATOM 1119 CB PRO A 77 12.587 5.290 3.491 1.00 0.72 C ATOM 1120 CG PRO A 77 13.105 6.315 4.507 1.00 0.81 C ATOM 1121 CD PRO A 77 11.936 6.791 5.374 1.00 0.72 C ATOM 0 HA PRO A 77 10.495 5.353 2.780 1.00 0.58 H new ATOM 0 HB2 PRO A 77 13.089 4.333 3.633 1.00 0.72 H new ATOM 0 HB3 PRO A 77 12.810 5.620 2.476 1.00 0.72 H new ATOM 0 HG2 PRO A 77 13.879 5.869 5.131 1.00 0.81 H new ATOM 0 HG3 PRO A 77 13.560 7.160 3.991 1.00 0.81 H new ATOM 0 HD2 PRO A 77 12.086 6.546 6.425 1.00 0.72 H new ATOM 0 HD3 PRO A 77 11.802 7.871 5.315 1.00 0.72 H new ATOM 1129 N GLY A 78 10.452 3.396 5.255 1.00 0.52 N ATOM 1130 CA GLY A 78 10.100 2.002 5.643 1.00 0.57 C ATOM 1131 C GLY A 78 8.588 1.812 5.534 1.00 0.47 C ATOM 1132 O GLY A 78 7.861 2.726 5.199 1.00 0.42 O ATOM 0 H GLY A 78 10.457 4.072 6.019 1.00 0.52 H new ATOM 0 HA2 GLY A 78 10.615 1.292 4.996 1.00 0.57 H new ATOM 0 HA3 GLY A 78 10.430 1.802 6.662 1.00 0.57 H new ATOM 1136 N GLY A 79 8.107 0.634 5.815 1.00 0.53 N ATOM 1137 CA GLY A 79 6.640 0.393 5.728 1.00 0.50 C ATOM 1138 C GLY A 79 6.267 -0.014 4.301 1.00 0.37 C ATOM 1139 O GLY A 79 7.079 -0.523 3.554 1.00 0.39 O ATOM 0 H GLY A 79 8.665 -0.171 6.101 1.00 0.53 H new ATOM 0 HA2 GLY A 79 6.348 -0.390 6.428 1.00 0.50 H new ATOM 0 HA3 GLY A 79 6.096 1.294 6.013 1.00 0.50 H new ATOM 1143 N ASN A 80 5.038 0.202 3.925 1.00 0.32 N ATOM 1144 CA ASN A 80 4.588 -0.172 2.556 1.00 0.30 C ATOM 1145 C ASN A 80 5.109 0.860 1.552 1.00 0.27 C ATOM 1146 O ASN A 80 5.212 2.032 1.855 1.00 0.30 O ATOM 1147 CB ASN A 80 3.054 -0.185 2.498 1.00 0.41 C ATOM 1148 CG ASN A 80 2.460 -0.550 3.868 1.00 1.27 C ATOM 1149 OD1 ASN A 80 2.948 -0.131 4.898 1.00 2.15 O ATOM 1150 ND2 ASN A 80 1.394 -1.297 3.919 1.00 2.03 N ATOM 0 H ASN A 80 4.320 0.625 4.513 1.00 0.32 H new ATOM 0 HA ASN A 80 4.973 -1.162 2.312 1.00 0.30 H new ATOM 0 HB2 ASN A 80 2.689 0.794 2.187 1.00 0.41 H new ATOM 0 HB3 ASN A 80 2.720 -0.903 1.749 1.00 0.41 H new ATOM 0 HD21 ASN A 80 0.975 -1.526 4.820 1.00 2.03 H new ATOM 0 HD22 ASN A 80 0.979 -1.652 3.058 1.00 2.03 H new ATOM 1157 N LEU A 81 5.432 0.440 0.359 1.00 0.25 N ATOM 1158 CA LEU A 81 5.938 1.408 -0.656 1.00 0.25 C ATOM 1159 C LEU A 81 4.765 1.915 -1.498 1.00 0.24 C ATOM 1160 O LEU A 81 4.872 2.897 -2.205 1.00 0.24 O ATOM 1161 CB LEU A 81 6.941 0.709 -1.578 1.00 0.30 C ATOM 1162 CG LEU A 81 8.005 -0.021 -0.752 1.00 0.34 C ATOM 1163 CD1 LEU A 81 8.906 -0.813 -1.697 1.00 0.42 C ATOM 1164 CD2 LEU A 81 8.860 0.983 0.030 1.00 0.40 C ATOM 0 H LEU A 81 5.368 -0.528 0.044 1.00 0.25 H new ATOM 0 HA LEU A 81 6.423 2.242 -0.148 1.00 0.25 H new ATOM 0 HB2 LEU A 81 6.420 -0.001 -2.221 1.00 0.30 H new ATOM 0 HB3 LEU A 81 7.417 1.441 -2.230 1.00 0.30 H new ATOM 0 HG LEU A 81 7.511 -0.689 -0.046 1.00 0.34 H new ATOM 0 HD11 LEU A 81 9.668 -1.337 -1.120 1.00 0.42 H new ATOM 0 HD12 LEU A 81 8.307 -1.537 -2.249 1.00 0.42 H new ATOM 0 HD13 LEU A 81 9.387 -0.131 -2.398 1.00 0.42 H new ATOM 0 HD21 LEU A 81 9.610 0.447 0.611 1.00 0.40 H new ATOM 0 HD22 LEU A 81 9.355 1.659 -0.667 1.00 0.40 H new ATOM 0 HD23 LEU A 81 8.223 1.558 0.702 1.00 0.40 H new ATOM 1176 N ALA A 82 3.647 1.250 -1.431 1.00 0.24 N ATOM 1177 CA ALA A 82 2.469 1.692 -2.226 1.00 0.26 C ATOM 1178 C ALA A 82 1.252 0.865 -1.821 1.00 0.27 C ATOM 1179 O ALA A 82 1.371 -0.150 -1.164 1.00 0.31 O ATOM 1180 CB ALA A 82 2.747 1.489 -3.717 1.00 0.30 C ATOM 0 H ALA A 82 3.498 0.418 -0.859 1.00 0.24 H new ATOM 0 HA ALA A 82 2.278 2.748 -2.036 1.00 0.26 H new ATOM 0 HB1 ALA A 82 1.882 1.814 -4.296 1.00 0.30 H new ATOM 0 HB2 ALA A 82 3.619 2.075 -4.008 1.00 0.30 H new ATOM 0 HB3 ALA A 82 2.938 0.434 -3.911 1.00 0.30 H new ATOM 1186 N HIS A 83 0.083 1.278 -2.217 1.00 0.25 N ATOM 1187 CA HIS A 83 -1.132 0.499 -1.862 1.00 0.27 C ATOM 1188 C HIS A 83 -2.273 0.910 -2.787 1.00 0.27 C ATOM 1189 O HIS A 83 -2.113 1.749 -3.650 1.00 0.60 O ATOM 1190 CB HIS A 83 -1.514 0.749 -0.399 1.00 0.29 C ATOM 1191 CG HIS A 83 -1.836 2.201 -0.185 1.00 0.28 C ATOM 1192 ND1 HIS A 83 -2.978 2.609 0.484 1.00 0.39 N ATOM 1193 CD2 HIS A 83 -1.168 3.350 -0.523 1.00 0.36 C ATOM 1194 CE1 HIS A 83 -2.963 3.952 0.530 1.00 0.37 C ATOM 1195 NE2 HIS A 83 -1.881 4.457 -0.069 1.00 0.32 N ATOM 0 H HIS A 83 -0.083 2.119 -2.770 1.00 0.25 H new ATOM 0 HA HIS A 83 -0.932 -0.566 -1.984 1.00 0.27 H new ATOM 0 HB2 HIS A 83 -2.374 0.135 -0.131 1.00 0.29 H new ATOM 0 HB3 HIS A 83 -0.694 0.451 0.254 1.00 0.29 H new ATOM 0 HD1 HIS A 83 -3.699 2.001 0.871 1.00 0.39 H new ATOM 0 HD2 HIS A 83 -0.232 3.390 -1.060 1.00 0.36 H new ATOM 0 HE1 HIS A 83 -3.732 4.551 0.995 1.00 0.37 H new ATOM 1203 N ALA A 84 -3.419 0.318 -2.627 1.00 0.58 N ATOM 1204 CA ALA A 84 -4.559 0.667 -3.513 1.00 0.63 C ATOM 1205 C ALA A 84 -5.860 0.208 -2.861 1.00 0.49 C ATOM 1206 O ALA A 84 -5.856 -0.567 -1.925 1.00 0.43 O ATOM 1207 CB ALA A 84 -4.387 -0.033 -4.863 1.00 0.72 C ATOM 0 H ALA A 84 -3.616 -0.392 -1.922 1.00 0.58 H new ATOM 0 HA ALA A 84 -4.589 1.746 -3.667 1.00 0.63 H new ATOM 0 HB1 ALA A 84 -5.223 0.222 -5.514 1.00 0.72 H new ATOM 0 HB2 ALA A 84 -3.455 0.292 -5.325 1.00 0.72 H new ATOM 0 HB3 ALA A 84 -4.361 -1.112 -4.712 1.00 0.72 H new ATOM 1213 N PHE A 85 -6.968 0.695 -3.339 1.00 0.52 N ATOM 1214 CA PHE A 85 -8.275 0.311 -2.740 1.00 0.45 C ATOM 1215 C PHE A 85 -8.909 -0.816 -3.557 1.00 0.38 C ATOM 1216 O PHE A 85 -8.678 -0.949 -4.743 1.00 0.42 O ATOM 1217 CB PHE A 85 -9.187 1.536 -2.729 1.00 0.52 C ATOM 1218 CG PHE A 85 -8.622 2.552 -1.764 1.00 0.60 C ATOM 1219 CD1 PHE A 85 -7.673 3.482 -2.206 1.00 0.68 C ATOM 1220 CD2 PHE A 85 -9.031 2.551 -0.425 1.00 0.64 C ATOM 1221 CE1 PHE A 85 -7.137 4.414 -1.310 1.00 0.77 C ATOM 1222 CE2 PHE A 85 -8.493 3.483 0.471 1.00 0.73 C ATOM 1223 CZ PHE A 85 -7.546 4.415 0.029 1.00 0.78 C ATOM 0 H PHE A 85 -7.026 1.346 -4.122 1.00 0.52 H new ATOM 0 HA PHE A 85 -8.129 -0.044 -1.720 1.00 0.45 H new ATOM 0 HB2 PHE A 85 -9.258 1.963 -3.729 1.00 0.52 H new ATOM 0 HB3 PHE A 85 -10.197 1.253 -2.431 1.00 0.52 H new ATOM 0 HD1 PHE A 85 -7.355 3.480 -3.238 1.00 0.68 H new ATOM 0 HD2 PHE A 85 -9.761 1.832 -0.083 1.00 0.64 H new ATOM 0 HE1 PHE A 85 -6.407 5.133 -1.652 1.00 0.77 H new ATOM 0 HE2 PHE A 85 -8.809 3.483 1.504 1.00 0.73 H new ATOM 0 HZ PHE A 85 -7.132 5.134 0.720 1.00 0.78 H new ATOM 1233 N GLN A 86 -9.697 -1.635 -2.919 1.00 0.40 N ATOM 1234 CA GLN A 86 -10.344 -2.774 -3.629 1.00 0.43 C ATOM 1235 C GLN A 86 -11.212 -2.232 -4.781 1.00 0.39 C ATOM 1236 O GLN A 86 -11.697 -1.121 -4.707 1.00 0.39 O ATOM 1237 CB GLN A 86 -11.225 -3.522 -2.625 1.00 0.56 C ATOM 1238 CG GLN A 86 -10.340 -4.162 -1.554 1.00 0.75 C ATOM 1239 CD GLN A 86 -11.217 -4.693 -0.420 1.00 1.23 C ATOM 1240 OE1 GLN A 86 -11.726 -3.931 0.378 1.00 1.99 O ATOM 1241 NE2 GLN A 86 -11.418 -5.977 -0.315 1.00 1.89 N ATOM 0 H GLN A 86 -9.923 -1.564 -1.927 1.00 0.40 H new ATOM 0 HA GLN A 86 -9.590 -3.445 -4.041 1.00 0.43 H new ATOM 0 HB2 GLN A 86 -11.934 -2.835 -2.164 1.00 0.56 H new ATOM 0 HB3 GLN A 86 -11.809 -4.288 -3.136 1.00 0.56 H new ATOM 0 HG2 GLN A 86 -9.756 -4.974 -1.987 1.00 0.75 H new ATOM 0 HG3 GLN A 86 -9.631 -3.430 -1.168 1.00 0.75 H new ATOM 0 HE21 GLN A 86 -10.991 -6.617 -0.985 1.00 1.89 H new ATOM 0 HE22 GLN A 86 -12.003 -6.342 0.437 1.00 1.89 H new ATOM 1250 N PRO A 87 -11.415 -2.990 -5.847 1.00 0.46 N ATOM 1251 CA PRO A 87 -12.248 -2.496 -6.980 1.00 0.52 C ATOM 1252 C PRO A 87 -13.670 -2.120 -6.547 1.00 0.55 C ATOM 1253 O PRO A 87 -14.522 -2.970 -6.380 1.00 0.67 O ATOM 1254 CB PRO A 87 -12.277 -3.693 -7.934 1.00 0.65 C ATOM 1255 CG PRO A 87 -11.467 -4.840 -7.321 1.00 0.66 C ATOM 1256 CD PRO A 87 -10.847 -4.363 -6.006 1.00 0.57 C ATOM 0 HA PRO A 87 -11.841 -1.585 -7.420 1.00 0.52 H new ATOM 0 HB2 PRO A 87 -13.305 -4.010 -8.109 1.00 0.65 H new ATOM 0 HB3 PRO A 87 -11.860 -3.413 -8.902 1.00 0.65 H new ATOM 0 HG2 PRO A 87 -12.110 -5.702 -7.144 1.00 0.66 H new ATOM 0 HG3 PRO A 87 -10.687 -5.161 -8.011 1.00 0.66 H new ATOM 0 HD2 PRO A 87 -11.118 -5.011 -5.173 1.00 0.57 H new ATOM 0 HD3 PRO A 87 -9.758 -4.346 -6.055 1.00 0.57 H new ATOM 1264 N GLY A 88 -13.937 -0.854 -6.367 1.00 0.51 N ATOM 1265 CA GLY A 88 -15.309 -0.445 -5.952 1.00 0.59 C ATOM 1266 C GLY A 88 -15.569 1.010 -6.368 1.00 0.58 C ATOM 1267 O GLY A 88 -14.658 1.727 -6.730 1.00 0.55 O ATOM 0 H GLY A 88 -13.270 -0.092 -6.488 1.00 0.51 H new ATOM 0 HA2 GLY A 88 -16.048 -1.101 -6.411 1.00 0.59 H new ATOM 0 HA3 GLY A 88 -15.418 -0.549 -4.872 1.00 0.59 H new ATOM 1271 N PRO A 89 -16.802 1.457 -6.308 1.00 0.72 N ATOM 1272 CA PRO A 89 -17.126 2.864 -6.672 1.00 0.75 C ATOM 1273 C PRO A 89 -16.461 3.874 -5.728 1.00 0.65 C ATOM 1274 O PRO A 89 -15.906 3.512 -4.709 1.00 0.70 O ATOM 1275 CB PRO A 89 -18.647 2.914 -6.512 1.00 0.93 C ATOM 1276 CG PRO A 89 -19.142 1.554 -6.007 1.00 1.03 C ATOM 1277 CD PRO A 89 -17.948 0.602 -5.890 1.00 0.92 C ATOM 0 HA PRO A 89 -16.772 3.126 -7.669 1.00 0.75 H new ATOM 0 HB2 PRO A 89 -18.926 3.700 -5.810 1.00 0.93 H new ATOM 0 HB3 PRO A 89 -19.118 3.156 -7.465 1.00 0.93 H new ATOM 0 HG2 PRO A 89 -19.630 1.667 -5.039 1.00 1.03 H new ATOM 0 HG3 PRO A 89 -19.884 1.145 -6.693 1.00 1.03 H new ATOM 0 HD2 PRO A 89 -17.825 0.230 -4.873 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -18.060 -0.269 -6.536 1.00 0.92 H new ATOM 1285 N GLY A 90 -16.523 5.137 -6.051 1.00 0.67 N ATOM 1286 CA GLY A 90 -15.905 6.167 -5.166 1.00 0.70 C ATOM 1287 C GLY A 90 -14.380 6.045 -5.197 1.00 0.59 C ATOM 1288 O GLY A 90 -13.767 6.071 -6.246 1.00 0.61 O ATOM 0 H GLY A 90 -16.975 5.501 -6.890 1.00 0.67 H new ATOM 0 HA2 GLY A 90 -16.204 7.163 -5.492 1.00 0.70 H new ATOM 0 HA3 GLY A 90 -16.266 6.044 -4.145 1.00 0.70 H new ATOM 1292 N ILE A 91 -13.760 5.924 -4.053 1.00 0.55 N ATOM 1293 CA ILE A 91 -12.273 5.815 -4.020 1.00 0.47 C ATOM 1294 C ILE A 91 -11.845 4.396 -4.409 1.00 0.38 C ATOM 1295 O ILE A 91 -10.680 4.123 -4.613 1.00 0.36 O ATOM 1296 CB ILE A 91 -11.762 6.144 -2.611 1.00 0.51 C ATOM 1297 CG1 ILE A 91 -10.226 6.225 -2.633 1.00 0.52 C ATOM 1298 CG2 ILE A 91 -12.226 5.068 -1.617 1.00 0.52 C ATOM 1299 CD1 ILE A 91 -9.719 6.819 -1.317 1.00 0.59 C ATOM 0 H ILE A 91 -14.218 5.896 -3.142 1.00 0.55 H new ATOM 0 HA ILE A 91 -11.847 6.522 -4.731 1.00 0.47 H new ATOM 0 HB ILE A 91 -12.167 7.105 -2.293 1.00 0.51 H new ATOM 0 HG12 ILE A 91 -9.802 5.232 -2.781 1.00 0.52 H new ATOM 0 HG13 ILE A 91 -9.897 6.840 -3.471 1.00 0.52 H new ATOM 0 HG21 ILE A 91 -11.858 5.311 -0.620 1.00 0.52 H new ATOM 0 HG22 ILE A 91 -13.315 5.031 -1.603 1.00 0.52 H new ATOM 0 HG23 ILE A 91 -11.834 4.098 -1.922 1.00 0.52 H new ATOM 0 HD11 ILE A 91 -8.631 6.874 -1.338 1.00 0.59 H new ATOM 0 HD12 ILE A 91 -10.130 7.820 -1.187 1.00 0.59 H new ATOM 0 HD13 ILE A 91 -10.034 6.187 -0.487 1.00 0.59 H new ATOM 1311 N GLY A 92 -12.774 3.488 -4.515 1.00 0.38 N ATOM 1312 CA GLY A 92 -12.400 2.095 -4.889 1.00 0.34 C ATOM 1313 C GLY A 92 -11.749 2.092 -6.275 1.00 0.32 C ATOM 1314 O GLY A 92 -12.192 2.766 -7.184 1.00 0.37 O ATOM 0 H GLY A 92 -13.769 3.648 -4.360 1.00 0.38 H new ATOM 0 HA2 GLY A 92 -11.711 1.682 -4.152 1.00 0.34 H new ATOM 0 HA3 GLY A 92 -13.285 1.458 -4.890 1.00 0.34 H new ATOM 1318 N GLY A 93 -10.696 1.339 -6.438 1.00 0.31 N ATOM 1319 CA GLY A 93 -10.002 1.287 -7.757 1.00 0.35 C ATOM 1320 C GLY A 93 -8.854 2.298 -7.767 1.00 0.31 C ATOM 1321 O GLY A 93 -7.943 2.211 -8.567 1.00 0.33 O ATOM 0 H GLY A 93 -10.284 0.754 -5.711 1.00 0.31 H new ATOM 0 HA2 GLY A 93 -9.619 0.283 -7.939 1.00 0.35 H new ATOM 0 HA3 GLY A 93 -10.705 1.510 -8.559 1.00 0.35 H new ATOM 1325 N ASP A 94 -8.886 3.252 -6.879 1.00 0.29 N ATOM 1326 CA ASP A 94 -7.795 4.264 -6.830 1.00 0.28 C ATOM 1327 C ASP A 94 -6.482 3.580 -6.450 1.00 0.29 C ATOM 1328 O ASP A 94 -6.473 2.556 -5.797 1.00 0.51 O ATOM 1329 CB ASP A 94 -8.137 5.336 -5.792 1.00 0.31 C ATOM 1330 CG ASP A 94 -9.290 6.194 -6.315 1.00 0.34 C ATOM 1331 OD1 ASP A 94 -10.401 5.695 -6.355 1.00 1.16 O ATOM 1332 OD2 ASP A 94 -9.038 7.332 -6.677 1.00 1.11 O ATOM 0 H ASP A 94 -9.622 3.375 -6.184 1.00 0.29 H new ATOM 0 HA ASP A 94 -7.689 4.732 -7.809 1.00 0.28 H new ATOM 0 HB2 ASP A 94 -8.415 4.869 -4.847 1.00 0.31 H new ATOM 0 HB3 ASP A 94 -7.265 5.959 -5.595 1.00 0.31 H new ATOM 1337 N ALA A 95 -5.375 4.144 -6.854 1.00 0.35 N ATOM 1338 CA ALA A 95 -4.054 3.538 -6.522 1.00 0.36 C ATOM 1339 C ALA A 95 -3.099 4.649 -6.093 1.00 0.27 C ATOM 1340 O ALA A 95 -2.895 5.615 -6.803 1.00 0.32 O ATOM 1341 CB ALA A 95 -3.490 2.830 -7.756 1.00 0.42 C ATOM 0 H ALA A 95 -5.330 5.003 -7.402 1.00 0.35 H new ATOM 0 HA ALA A 95 -4.170 2.814 -5.716 1.00 0.36 H new ATOM 0 HB1 ALA A 95 -2.524 2.387 -7.512 1.00 0.42 H new ATOM 0 HB2 ALA A 95 -4.179 2.047 -8.072 1.00 0.42 H new ATOM 0 HB3 ALA A 95 -3.365 3.551 -8.564 1.00 0.42 H new ATOM 1347 N HIS A 96 -2.526 4.521 -4.926 1.00 0.32 N ATOM 1348 CA HIS A 96 -1.594 5.567 -4.422 1.00 0.30 C ATOM 1349 C HIS A 96 -0.155 5.063 -4.503 1.00 0.25 C ATOM 1350 O HIS A 96 0.121 3.906 -4.244 1.00 0.25 O ATOM 1351 CB HIS A 96 -1.929 5.870 -2.965 1.00 0.43 C ATOM 1352 CG HIS A 96 -3.283 6.515 -2.876 1.00 0.34 C ATOM 1353 ND1 HIS A 96 -3.612 6.950 -1.604 1.00 0.38 N ATOM 1354 CD2 HIS A 96 -4.314 6.785 -3.740 1.00 0.39 C ATOM 1355 CE1 HIS A 96 -4.836 7.477 -1.714 1.00 0.37 C ATOM 1356 NE2 HIS A 96 -5.299 7.402 -2.974 1.00 0.35 N ATOM 0 H HIS A 96 -2.666 3.730 -4.297 1.00 0.32 H new ATOM 0 HA HIS A 96 -1.698 6.466 -5.029 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -1.916 4.950 -2.381 1.00 0.43 H new ATOM 0 HB3 HIS A 96 -1.173 6.530 -2.538 1.00 0.43 H new ATOM 0 HD2 HIS A 96 -4.353 6.564 -4.796 1.00 0.39 H new ATOM 0 HE1 HIS A 96 -5.386 7.910 -0.891 1.00 0.37 H new ATOM 0 HE2 HIS A 96 -6.204 7.735 -3.307 1.00 0.35 H new ATOM 1364 N PHE A 97 0.759 5.931 -4.850 1.00 0.23 N ATOM 1365 CA PHE A 97 2.193 5.528 -4.944 1.00 0.20 C ATOM 1366 C PHE A 97 3.025 6.360 -3.965 1.00 0.20 C ATOM 1367 O PHE A 97 2.884 7.569 -3.883 1.00 0.22 O ATOM 1368 CB PHE A 97 2.683 5.766 -6.371 1.00 0.23 C ATOM 1369 CG PHE A 97 2.120 4.696 -7.271 1.00 0.22 C ATOM 1370 CD1 PHE A 97 0.766 4.720 -7.615 1.00 0.24 C ATOM 1371 CD2 PHE A 97 2.949 3.678 -7.755 1.00 0.25 C ATOM 1372 CE1 PHE A 97 0.236 3.725 -8.445 1.00 0.25 C ATOM 1373 CE2 PHE A 97 2.421 2.683 -8.587 1.00 0.27 C ATOM 1374 CZ PHE A 97 1.064 2.706 -8.931 1.00 0.25 C ATOM 0 H PHE A 97 0.572 6.908 -5.074 1.00 0.23 H new ATOM 0 HA PHE A 97 2.298 4.473 -4.692 1.00 0.20 H new ATOM 0 HB2 PHE A 97 2.370 6.751 -6.717 1.00 0.23 H new ATOM 0 HB3 PHE A 97 3.772 5.749 -6.402 1.00 0.23 H new ATOM 0 HD1 PHE A 97 0.128 5.507 -7.240 1.00 0.24 H new ATOM 0 HD2 PHE A 97 3.995 3.660 -7.487 1.00 0.25 H new ATOM 0 HE1 PHE A 97 -0.811 3.743 -8.710 1.00 0.25 H new ATOM 0 HE2 PHE A 97 3.060 1.898 -8.963 1.00 0.27 H new ATOM 0 HZ PHE A 97 0.656 1.938 -9.571 1.00 0.25 H new ATOM 1384 N ASP A 98 3.889 5.721 -3.220 1.00 0.21 N ATOM 1385 CA ASP A 98 4.733 6.467 -2.245 1.00 0.23 C ATOM 1386 C ASP A 98 5.689 7.388 -3.005 1.00 0.22 C ATOM 1387 O ASP A 98 6.501 6.943 -3.791 1.00 0.24 O ATOM 1388 CB ASP A 98 5.534 5.473 -1.395 1.00 0.27 C ATOM 1389 CG ASP A 98 6.383 6.230 -0.371 1.00 0.35 C ATOM 1390 OD1 ASP A 98 6.857 7.305 -0.696 1.00 0.73 O ATOM 1391 OD2 ASP A 98 6.540 5.722 0.727 1.00 0.66 O ATOM 0 H ASP A 98 4.045 4.713 -3.246 1.00 0.21 H new ATOM 0 HA ASP A 98 4.098 7.065 -1.592 1.00 0.23 H new ATOM 0 HB2 ASP A 98 4.856 4.789 -0.884 1.00 0.27 H new ATOM 0 HB3 ASP A 98 6.175 4.867 -2.035 1.00 0.27 H new ATOM 1396 N GLU A 99 5.595 8.668 -2.771 1.00 0.22 N ATOM 1397 CA GLU A 99 6.492 9.632 -3.472 1.00 0.25 C ATOM 1398 C GLU A 99 7.636 10.038 -2.538 1.00 0.28 C ATOM 1399 O GLU A 99 8.489 10.827 -2.889 1.00 0.31 O ATOM 1400 CB GLU A 99 5.677 10.859 -3.864 1.00 0.28 C ATOM 1401 CG GLU A 99 6.443 11.716 -4.874 1.00 0.38 C ATOM 1402 CD GLU A 99 5.534 12.839 -5.377 1.00 0.86 C ATOM 1403 OE1 GLU A 99 4.332 12.729 -5.195 1.00 1.59 O ATOM 1404 OE2 GLU A 99 6.053 13.788 -5.941 1.00 1.52 O ATOM 0 H GLU A 99 4.932 9.091 -2.121 1.00 0.22 H new ATOM 0 HA GLU A 99 6.914 9.172 -4.365 1.00 0.25 H new ATOM 0 HB2 GLU A 99 4.724 10.547 -4.292 1.00 0.28 H new ATOM 0 HB3 GLU A 99 5.450 11.450 -2.977 1.00 0.28 H new ATOM 0 HG2 GLU A 99 7.335 12.135 -4.409 1.00 0.38 H new ATOM 0 HG3 GLU A 99 6.778 11.102 -5.710 1.00 0.38 H new ATOM 1411 N ASP A 100 7.667 9.502 -1.348 1.00 0.29 N ATOM 1412 CA ASP A 100 8.762 9.865 -0.402 1.00 0.33 C ATOM 1413 C ASP A 100 10.052 9.188 -0.859 1.00 0.34 C ATOM 1414 O ASP A 100 11.139 9.593 -0.497 1.00 0.38 O ATOM 1415 CB ASP A 100 8.410 9.390 1.012 1.00 0.35 C ATOM 1416 CG ASP A 100 7.260 10.233 1.567 1.00 0.38 C ATOM 1417 OD1 ASP A 100 7.077 11.339 1.085 1.00 1.04 O ATOM 1418 OD2 ASP A 100 6.586 9.761 2.467 1.00 1.21 O ATOM 0 H ASP A 100 6.986 8.832 -0.991 1.00 0.29 H new ATOM 0 HA ASP A 100 8.891 10.947 -0.390 1.00 0.33 H new ATOM 0 HB2 ASP A 100 8.126 8.338 0.993 1.00 0.35 H new ATOM 0 HB3 ASP A 100 9.281 9.473 1.662 1.00 0.35 H new ATOM 1423 N GLU A 101 9.936 8.164 -1.661 1.00 0.31 N ATOM 1424 CA GLU A 101 11.146 7.454 -2.161 1.00 0.34 C ATOM 1425 C GLU A 101 11.427 7.907 -3.596 1.00 0.31 C ATOM 1426 O GLU A 101 10.560 8.424 -4.271 1.00 0.29 O ATOM 1427 CB GLU A 101 10.892 5.946 -2.137 1.00 0.36 C ATOM 1428 CG GLU A 101 10.811 5.474 -0.685 1.00 0.45 C ATOM 1429 CD GLU A 101 10.393 4.004 -0.643 1.00 0.73 C ATOM 1430 OE1 GLU A 101 10.190 3.435 -1.703 1.00 1.39 O ATOM 1431 OE2 GLU A 101 10.286 3.473 0.450 1.00 0.98 O ATOM 0 H GLU A 101 9.048 7.787 -1.993 1.00 0.31 H new ATOM 0 HA GLU A 101 12.004 7.684 -1.529 1.00 0.34 H new ATOM 0 HB2 GLU A 101 9.965 5.713 -2.660 1.00 0.36 H new ATOM 0 HB3 GLU A 101 11.693 5.422 -2.658 1.00 0.36 H new ATOM 0 HG2 GLU A 101 11.777 5.601 -0.197 1.00 0.45 H new ATOM 0 HG3 GLU A 101 10.093 6.082 -0.134 1.00 0.45 H new ATOM 1438 N ARG A 102 12.631 7.728 -4.066 1.00 0.34 N ATOM 1439 CA ARG A 102 12.955 8.161 -5.456 1.00 0.35 C ATOM 1440 C ARG A 102 12.594 7.046 -6.436 1.00 0.31 C ATOM 1441 O ARG A 102 12.990 5.908 -6.275 1.00 0.33 O ATOM 1442 CB ARG A 102 14.454 8.465 -5.561 1.00 0.44 C ATOM 1443 CG ARG A 102 14.798 8.941 -6.982 1.00 0.48 C ATOM 1444 CD ARG A 102 16.313 9.097 -7.121 1.00 0.64 C ATOM 1445 NE ARG A 102 16.645 10.521 -7.397 1.00 1.42 N ATOM 1446 CZ ARG A 102 17.875 10.934 -7.274 1.00 2.06 C ATOM 1447 NH1 ARG A 102 18.806 10.099 -6.903 1.00 2.32 N ATOM 1448 NH2 ARG A 102 18.174 12.179 -7.522 1.00 3.05 N ATOM 0 H ARG A 102 13.402 7.303 -3.551 1.00 0.34 H new ATOM 0 HA ARG A 102 12.383 9.057 -5.698 1.00 0.35 H new ATOM 0 HB2 ARG A 102 14.729 9.231 -4.836 1.00 0.44 H new ATOM 0 HB3 ARG A 102 15.032 7.573 -5.318 1.00 0.44 H new ATOM 0 HG2 ARG A 102 14.428 8.225 -7.715 1.00 0.48 H new ATOM 0 HG3 ARG A 102 14.305 9.891 -7.187 1.00 0.48 H new ATOM 0 HD2 ARG A 102 16.808 8.768 -6.207 1.00 0.64 H new ATOM 0 HD3 ARG A 102 16.681 8.464 -7.928 1.00 0.64 H new ATOM 0 HE ARG A 102 15.913 11.172 -7.681 1.00 1.42 H new ATOM 0 HH11 ARG A 102 18.571 9.126 -6.710 1.00 2.32 H new ATOM 0 HH12 ARG A 102 19.769 10.420 -6.806 1.00 2.32 H new ATOM 0 HH21 ARG A 102 17.445 12.830 -7.812 1.00 3.05 H new ATOM 0 HH22 ARG A 102 19.137 12.501 -7.425 1.00 3.05 H new ATOM 1462 N TRP A 103 11.851 7.372 -7.456 1.00 0.30 N ATOM 1463 CA TRP A 103 11.465 6.347 -8.462 1.00 0.31 C ATOM 1464 C TRP A 103 12.430 6.402 -9.648 1.00 0.33 C ATOM 1465 O TRP A 103 12.844 7.462 -10.074 1.00 0.36 O ATOM 1466 CB TRP A 103 10.044 6.622 -8.944 1.00 0.33 C ATOM 1467 CG TRP A 103 9.089 6.351 -7.829 1.00 0.33 C ATOM 1468 CD1 TRP A 103 8.375 7.295 -7.175 1.00 0.36 C ATOM 1469 CD2 TRP A 103 8.741 5.076 -7.215 1.00 0.33 C ATOM 1470 NE1 TRP A 103 7.606 6.681 -6.203 1.00 0.37 N ATOM 1471 CE2 TRP A 103 7.797 5.313 -6.188 1.00 0.34 C ATOM 1472 CE3 TRP A 103 9.147 3.750 -7.449 1.00 0.34 C ATOM 1473 CZ2 TRP A 103 7.275 4.272 -5.420 1.00 0.36 C ATOM 1474 CZ3 TRP A 103 8.625 2.700 -6.678 1.00 0.36 C ATOM 1475 CH2 TRP A 103 7.690 2.960 -5.665 1.00 0.37 C ATOM 0 H TRP A 103 11.493 8.310 -7.636 1.00 0.30 H new ATOM 0 HA TRP A 103 11.510 5.357 -8.009 1.00 0.31 H new ATOM 0 HB2 TRP A 103 9.953 7.657 -9.274 1.00 0.33 H new ATOM 0 HB3 TRP A 103 9.809 5.992 -9.802 1.00 0.33 H new ATOM 0 HD1 TRP A 103 8.401 8.355 -7.378 1.00 0.36 H new ATOM 0 HE1 TRP A 103 6.975 7.178 -5.574 1.00 0.37 H new ATOM 0 HE3 TRP A 103 9.865 3.538 -8.227 1.00 0.34 H new ATOM 0 HZ2 TRP A 103 6.555 4.478 -4.642 1.00 0.36 H new ATOM 0 HZ3 TRP A 103 8.945 1.686 -6.866 1.00 0.36 H new ATOM 0 HH2 TRP A 103 7.291 2.148 -5.075 1.00 0.37 H new ATOM 1486 N THR A 104 12.789 5.262 -10.175 1.00 0.35 N ATOM 1487 CA THR A 104 13.729 5.213 -11.334 1.00 0.40 C ATOM 1488 C THR A 104 13.057 4.479 -12.492 1.00 0.45 C ATOM 1489 O THR A 104 12.010 3.884 -12.332 1.00 0.47 O ATOM 1490 CB THR A 104 14.980 4.447 -10.924 1.00 0.44 C ATOM 1491 OG1 THR A 104 14.593 3.139 -10.549 1.00 0.51 O ATOM 1492 CG2 THR A 104 15.640 5.153 -9.736 1.00 0.51 C ATOM 0 H THR A 104 12.467 4.351 -9.848 1.00 0.35 H new ATOM 0 HA THR A 104 13.993 6.225 -11.640 1.00 0.40 H new ATOM 0 HB THR A 104 15.690 4.405 -11.750 1.00 0.44 H new ATOM 0 HG1 THR A 104 14.349 3.130 -9.600 1.00 0.51 H new ATOM 0 HG21 THR A 104 16.536 4.607 -9.440 1.00 0.51 H new ATOM 0 HG22 THR A 104 15.912 6.169 -10.022 1.00 0.51 H new ATOM 0 HG23 THR A 104 14.942 5.186 -8.899 1.00 0.51 H new ATOM 1500 N ASN A 105 13.656 4.516 -13.653 1.00 0.53 N ATOM 1501 CA ASN A 105 13.065 3.823 -14.835 1.00 0.61 C ATOM 1502 C ASN A 105 13.959 2.659 -15.259 1.00 0.65 C ATOM 1503 O ASN A 105 13.971 2.262 -16.407 1.00 0.74 O ATOM 1504 CB ASN A 105 12.933 4.818 -15.986 1.00 0.72 C ATOM 1505 CG ASN A 105 11.806 5.799 -15.666 1.00 0.77 C ATOM 1506 OD1 ASN A 105 10.833 5.436 -15.035 1.00 1.17 O ATOM 1507 ND2 ASN A 105 11.898 7.036 -16.065 1.00 1.46 N ATOM 0 H ASN A 105 14.535 5.000 -13.834 1.00 0.53 H new ATOM 0 HA ASN A 105 12.081 3.434 -14.572 1.00 0.61 H new ATOM 0 HB2 ASN A 105 13.871 5.355 -16.129 1.00 0.72 H new ATOM 0 HB3 ASN A 105 12.722 4.292 -16.917 1.00 0.72 H new ATOM 0 HD21 ASN A 105 11.154 7.699 -15.848 1.00 1.46 H new ATOM 0 HD22 ASN A 105 12.714 7.342 -16.595 1.00 1.46 H new ATOM 1514 N ASN A 106 14.713 2.107 -14.348 1.00 0.62 N ATOM 1515 CA ASN A 106 15.596 0.972 -14.722 1.00 0.73 C ATOM 1516 C ASN A 106 15.901 0.109 -13.493 1.00 0.77 C ATOM 1517 O ASN A 106 15.398 0.344 -12.413 1.00 0.73 O ATOM 1518 CB ASN A 106 16.888 1.514 -15.340 1.00 0.78 C ATOM 1519 CG ASN A 106 17.437 2.661 -14.501 1.00 0.71 C ATOM 1520 OD1 ASN A 106 16.644 3.637 -14.148 1.00 1.28 O flip ATOM 1521 ND2 ASN A 106 18.606 2.677 -14.168 1.00 1.26 N flip ATOM 0 H ASN A 106 14.754 2.391 -13.369 1.00 0.62 H new ATOM 0 HA ASN A 106 15.089 0.346 -15.456 1.00 0.73 H new ATOM 0 HB2 ASN A 106 17.629 0.717 -15.407 1.00 0.78 H new ATOM 0 HB3 ASN A 106 16.696 1.858 -16.356 1.00 0.78 H new ATOM 0 HD21 ASN A 106 19.225 1.915 -14.444 1.00 1.26 H new ATOM 0 HD22 ASN A 106 18.968 3.453 -13.613 1.00 1.26 H new ATOM 1528 N PHE A 107 16.704 -0.905 -13.667 1.00 0.90 N ATOM 1529 CA PHE A 107 17.043 -1.826 -12.535 1.00 0.99 C ATOM 1530 C PHE A 107 17.765 -1.067 -11.409 1.00 0.91 C ATOM 1531 O PHE A 107 18.621 -1.616 -10.745 1.00 1.04 O ATOM 1532 CB PHE A 107 17.966 -2.966 -13.012 1.00 1.26 C ATOM 1533 CG PHE A 107 17.703 -3.327 -14.461 1.00 1.50 C ATOM 1534 CD1 PHE A 107 18.067 -2.443 -15.487 1.00 2.27 C ATOM 1535 CD2 PHE A 107 17.115 -4.560 -14.782 1.00 2.23 C ATOM 1536 CE1 PHE A 107 17.834 -2.783 -16.823 1.00 3.15 C ATOM 1537 CE2 PHE A 107 16.886 -4.900 -16.122 1.00 3.15 C ATOM 1538 CZ PHE A 107 17.243 -4.010 -17.141 1.00 3.46 C ATOM 0 H PHE A 107 17.147 -1.141 -14.555 1.00 0.90 H new ATOM 0 HA PHE A 107 16.104 -2.238 -12.164 1.00 0.99 H new ATOM 0 HB2 PHE A 107 19.007 -2.665 -12.894 1.00 1.26 H new ATOM 0 HB3 PHE A 107 17.815 -3.844 -12.384 1.00 1.26 H new ATOM 0 HD1 PHE A 107 18.528 -1.497 -15.245 1.00 2.27 H new ATOM 0 HD2 PHE A 107 16.839 -5.247 -13.996 1.00 2.23 H new ATOM 0 HE1 PHE A 107 18.111 -2.097 -17.610 1.00 3.15 H new ATOM 0 HE2 PHE A 107 16.434 -5.849 -16.368 1.00 3.15 H new ATOM 0 HZ PHE A 107 17.062 -4.271 -18.173 1.00 3.46 H new ATOM 1548 N ARG A 108 17.434 0.173 -11.170 1.00 0.76 N ATOM 1549 CA ARG A 108 18.118 0.918 -10.071 1.00 0.76 C ATOM 1550 C ARG A 108 17.575 0.423 -8.735 1.00 0.72 C ATOM 1551 O ARG A 108 16.992 -0.639 -8.640 1.00 0.76 O ATOM 1552 CB ARG A 108 17.822 2.419 -10.183 1.00 0.73 C ATOM 1553 CG ARG A 108 18.495 3.010 -11.421 1.00 0.90 C ATOM 1554 CD ARG A 108 19.359 4.228 -11.062 1.00 1.21 C ATOM 1555 NE ARG A 108 20.325 4.477 -12.167 1.00 1.61 N ATOM 1556 CZ ARG A 108 20.935 5.626 -12.256 1.00 2.26 C ATOM 1557 NH1 ARG A 108 20.648 6.586 -11.420 1.00 2.80 N ATOM 1558 NH2 ARG A 108 21.824 5.819 -13.191 1.00 2.91 N ATOM 0 H ARG A 108 16.726 0.700 -11.682 1.00 0.76 H new ATOM 0 HA ARG A 108 19.193 0.753 -10.143 1.00 0.76 H new ATOM 0 HB2 ARG A 108 16.745 2.580 -10.236 1.00 0.73 H new ATOM 0 HB3 ARG A 108 18.177 2.933 -9.290 1.00 0.73 H new ATOM 0 HG2 ARG A 108 19.115 2.250 -11.898 1.00 0.90 H new ATOM 0 HG3 ARG A 108 17.735 3.302 -12.146 1.00 0.90 H new ATOM 0 HD2 ARG A 108 18.729 5.104 -10.907 1.00 1.21 H new ATOM 0 HD3 ARG A 108 19.892 4.050 -10.128 1.00 1.21 H new ATOM 0 HE ARG A 108 20.510 3.748 -12.856 1.00 1.61 H new ATOM 0 HH11 ARG A 108 19.945 6.438 -10.695 1.00 2.80 H new ATOM 0 HH12 ARG A 108 21.126 7.484 -11.491 1.00 2.80 H new ATOM 0 HH21 ARG A 108 22.041 5.072 -13.851 1.00 2.91 H new ATOM 0 HH22 ARG A 108 22.302 6.717 -13.262 1.00 2.91 H new ATOM 1572 N GLU A 109 17.765 1.189 -7.706 1.00 0.73 N ATOM 1573 CA GLU A 109 17.272 0.791 -6.366 1.00 0.80 C ATOM 1574 C GLU A 109 15.802 0.375 -6.457 1.00 0.57 C ATOM 1575 O GLU A 109 15.448 -0.734 -6.108 1.00 0.66 O ATOM 1576 CB GLU A 109 17.402 1.989 -5.430 1.00 0.99 C ATOM 1577 CG GLU A 109 18.882 2.281 -5.184 1.00 1.33 C ATOM 1578 CD GLU A 109 19.017 3.513 -4.290 1.00 1.66 C ATOM 1579 OE1 GLU A 109 18.004 4.138 -4.020 1.00 2.06 O ATOM 1580 OE2 GLU A 109 20.131 3.815 -3.895 1.00 2.32 O ATOM 0 H GLU A 109 18.248 2.087 -7.736 1.00 0.73 H new ATOM 0 HA GLU A 109 17.855 -0.049 -5.990 1.00 0.80 H new ATOM 0 HB2 GLU A 109 16.915 2.861 -5.867 1.00 0.99 H new ATOM 0 HB3 GLU A 109 16.898 1.783 -4.485 1.00 0.99 H new ATOM 0 HG2 GLU A 109 19.359 1.422 -4.712 1.00 1.33 H new ATOM 0 HG3 GLU A 109 19.393 2.449 -6.132 1.00 1.33 H new ATOM 1587 N TYR A 110 14.947 1.256 -6.916 1.00 0.43 N ATOM 1588 CA TYR A 110 13.495 0.916 -7.021 1.00 0.44 C ATOM 1589 C TYR A 110 13.075 0.914 -8.491 1.00 0.37 C ATOM 1590 O TYR A 110 13.811 1.338 -9.353 1.00 0.51 O ATOM 1591 CB TYR A 110 12.671 1.955 -6.257 1.00 0.74 C ATOM 1592 CG TYR A 110 13.086 1.957 -4.804 1.00 0.86 C ATOM 1593 CD1 TYR A 110 12.462 1.099 -3.889 1.00 1.06 C ATOM 1594 CD2 TYR A 110 14.102 2.818 -4.374 1.00 0.92 C ATOM 1595 CE1 TYR A 110 12.855 1.104 -2.544 1.00 1.21 C ATOM 1596 CE2 TYR A 110 14.495 2.823 -3.031 1.00 1.04 C ATOM 1597 CZ TYR A 110 13.872 1.967 -2.116 1.00 1.15 C ATOM 1598 OH TYR A 110 14.260 1.973 -0.791 1.00 1.31 O ATOM 0 H TYR A 110 15.193 2.197 -7.223 1.00 0.43 H new ATOM 0 HA TYR A 110 13.322 -0.072 -6.593 1.00 0.44 H new ATOM 0 HB2 TYR A 110 12.821 2.944 -6.690 1.00 0.74 H new ATOM 0 HB3 TYR A 110 11.609 1.727 -6.343 1.00 0.74 H new ATOM 0 HD1 TYR A 110 11.678 0.434 -4.220 1.00 1.06 H new ATOM 0 HD2 TYR A 110 14.583 3.479 -5.079 1.00 0.92 H new ATOM 0 HE1 TYR A 110 12.374 0.443 -1.838 1.00 1.21 H new ATOM 0 HE2 TYR A 110 15.279 3.488 -2.701 1.00 1.04 H new ATOM 0 HH TYR A 110 14.977 2.628 -0.663 1.00 1.31 H new ATOM 1608 N ASN A 111 11.895 0.438 -8.780 1.00 0.40 N ATOM 1609 CA ASN A 111 11.414 0.412 -10.195 1.00 0.37 C ATOM 1610 C ASN A 111 9.925 0.762 -10.213 1.00 0.32 C ATOM 1611 O ASN A 111 9.105 0.062 -9.655 1.00 0.33 O ATOM 1612 CB ASN A 111 11.605 -0.982 -10.791 1.00 0.47 C ATOM 1613 CG ASN A 111 12.800 -1.007 -11.748 1.00 1.36 C ATOM 1614 OD1 ASN A 111 13.087 -0.033 -12.414 1.00 2.07 O ATOM 1615 ND2 ASN A 111 13.502 -2.102 -11.862 1.00 2.18 N ATOM 0 H ASN A 111 11.238 0.064 -8.095 1.00 0.40 H new ATOM 0 HA ASN A 111 11.983 1.132 -10.784 1.00 0.37 H new ATOM 0 HB2 ASN A 111 11.759 -1.706 -9.991 1.00 0.47 H new ATOM 0 HB3 ASN A 111 10.702 -1.282 -11.322 1.00 0.47 H new ATOM 0 HD21 ASN A 111 14.289 -2.138 -12.509 1.00 2.18 H new ATOM 0 HD22 ASN A 111 13.263 -2.921 -11.304 1.00 2.18 H new ATOM 1622 N LEU A 112 9.576 1.858 -10.826 1.00 0.30 N ATOM 1623 CA LEU A 112 8.146 2.282 -10.857 1.00 0.26 C ATOM 1624 C LEU A 112 7.296 1.316 -11.688 1.00 0.22 C ATOM 1625 O LEU A 112 6.253 0.866 -11.257 1.00 0.21 O ATOM 1626 CB LEU A 112 8.062 3.677 -11.475 1.00 0.29 C ATOM 1627 CG LEU A 112 6.621 4.197 -11.442 1.00 0.29 C ATOM 1628 CD1 LEU A 112 6.134 4.273 -9.988 1.00 0.33 C ATOM 1629 CD2 LEU A 112 6.591 5.591 -12.078 1.00 0.36 C ATOM 0 H LEU A 112 10.222 2.482 -11.310 1.00 0.30 H new ATOM 0 HA LEU A 112 7.762 2.284 -9.837 1.00 0.26 H new ATOM 0 HB2 LEU A 112 8.713 4.361 -10.931 1.00 0.29 H new ATOM 0 HB3 LEU A 112 8.420 3.647 -12.504 1.00 0.29 H new ATOM 0 HG LEU A 112 5.966 3.525 -11.996 1.00 0.29 H new ATOM 0 HD11 LEU A 112 5.109 4.643 -9.966 1.00 0.33 H new ATOM 0 HD12 LEU A 112 6.171 3.280 -9.540 1.00 0.33 H new ATOM 0 HD13 LEU A 112 6.776 4.950 -9.424 1.00 0.33 H new ATOM 0 HD21 LEU A 112 5.571 5.976 -12.063 1.00 0.36 H new ATOM 0 HD22 LEU A 112 7.241 6.262 -11.516 1.00 0.36 H new ATOM 0 HD23 LEU A 112 6.940 5.528 -13.109 1.00 0.36 H new ATOM 1641 N HIS A 113 7.718 1.011 -12.881 1.00 0.22 N ATOM 1642 CA HIS A 113 6.912 0.100 -13.742 1.00 0.22 C ATOM 1643 C HIS A 113 6.587 -1.177 -12.975 1.00 0.23 C ATOM 1644 O HIS A 113 5.482 -1.680 -13.014 1.00 0.23 O ATOM 1645 CB HIS A 113 7.729 -0.267 -14.979 1.00 0.25 C ATOM 1646 CG HIS A 113 6.939 -1.215 -15.830 1.00 0.27 C ATOM 1647 ND1 HIS A 113 7.502 -2.349 -16.388 1.00 0.88 N ATOM 1648 CD2 HIS A 113 5.628 -1.213 -16.225 1.00 0.61 C ATOM 1649 CE1 HIS A 113 6.539 -2.975 -17.084 1.00 0.72 C ATOM 1650 NE2 HIS A 113 5.375 -2.325 -17.019 1.00 0.36 N ATOM 0 H HIS A 113 8.584 1.351 -13.298 1.00 0.22 H new ATOM 0 HA HIS A 113 5.988 0.600 -14.032 1.00 0.22 H new ATOM 0 HB2 HIS A 113 7.975 0.631 -15.546 1.00 0.25 H new ATOM 0 HB3 HIS A 113 8.673 -0.726 -14.683 1.00 0.25 H new ATOM 0 HD1 HIS A 113 8.470 -2.654 -16.289 1.00 0.88 H new ATOM 0 HD2 HIS A 113 4.900 -0.461 -15.959 1.00 0.61 H new ATOM 0 HE1 HIS A 113 6.689 -3.894 -17.631 1.00 0.72 H new ATOM 1658 N ARG A 114 7.552 -1.710 -12.295 1.00 0.26 N ATOM 1659 CA ARG A 114 7.338 -2.967 -11.532 1.00 0.30 C ATOM 1660 C ARG A 114 6.240 -2.780 -10.476 1.00 0.28 C ATOM 1661 O ARG A 114 5.342 -3.590 -10.356 1.00 0.28 O ATOM 1662 CB ARG A 114 8.644 -3.325 -10.851 1.00 0.37 C ATOM 1663 CG ARG A 114 8.711 -4.818 -10.602 1.00 1.15 C ATOM 1664 CD ARG A 114 9.980 -5.113 -9.817 1.00 1.25 C ATOM 1665 NE ARG A 114 10.022 -6.555 -9.491 1.00 2.11 N ATOM 1666 CZ ARG A 114 11.122 -7.087 -9.058 1.00 2.69 C ATOM 1667 NH1 ARG A 114 12.196 -6.357 -8.933 1.00 2.78 N ATOM 1668 NH2 ARG A 114 11.149 -8.347 -8.752 1.00 3.66 N ATOM 0 H ARG A 114 8.495 -1.325 -12.232 1.00 0.26 H new ATOM 0 HA ARG A 114 7.023 -3.761 -12.209 1.00 0.30 H new ATOM 0 HB2 ARG A 114 9.484 -3.014 -11.472 1.00 0.37 H new ATOM 0 HB3 ARG A 114 8.730 -2.787 -9.907 1.00 0.37 H new ATOM 0 HG2 ARG A 114 7.834 -5.150 -10.046 1.00 1.15 H new ATOM 0 HG3 ARG A 114 8.714 -5.361 -11.547 1.00 1.15 H new ATOM 0 HD2 ARG A 114 10.857 -4.834 -10.401 1.00 1.25 H new ATOM 0 HD3 ARG A 114 10.003 -4.520 -8.903 1.00 1.25 H new ATOM 0 HE ARG A 114 9.187 -7.130 -9.607 1.00 2.11 H new ATOM 0 HH11 ARG A 114 12.171 -5.367 -9.176 1.00 2.78 H new ATOM 0 HH12 ARG A 114 13.061 -6.777 -8.592 1.00 2.78 H new ATOM 0 HH21 ARG A 114 10.307 -8.914 -8.853 1.00 3.66 H new ATOM 0 HH22 ARG A 114 12.012 -8.771 -8.411 1.00 3.66 H new ATOM 1682 N VAL A 115 6.296 -1.719 -9.713 1.00 0.27 N ATOM 1683 CA VAL A 115 5.248 -1.497 -8.676 1.00 0.28 C ATOM 1684 C VAL A 115 3.930 -1.227 -9.400 1.00 0.25 C ATOM 1685 O VAL A 115 2.876 -1.663 -8.981 1.00 0.26 O ATOM 1686 CB VAL A 115 5.645 -0.300 -7.789 1.00 0.31 C ATOM 1687 CG1 VAL A 115 4.535 0.031 -6.781 1.00 0.31 C ATOM 1688 CG2 VAL A 115 6.914 -0.650 -7.012 1.00 0.36 C ATOM 0 H VAL A 115 7.019 -1.001 -9.763 1.00 0.27 H new ATOM 0 HA VAL A 115 5.142 -2.370 -8.031 1.00 0.28 H new ATOM 0 HB VAL A 115 5.809 0.564 -8.434 1.00 0.31 H new ATOM 0 HG11 VAL A 115 4.841 0.879 -6.168 1.00 0.31 H new ATOM 0 HG12 VAL A 115 3.620 0.282 -7.317 1.00 0.31 H new ATOM 0 HG13 VAL A 115 4.355 -0.833 -6.141 1.00 0.31 H new ATOM 0 HG21 VAL A 115 7.200 0.193 -6.383 1.00 0.36 H new ATOM 0 HG22 VAL A 115 6.728 -1.523 -6.386 1.00 0.36 H new ATOM 0 HG23 VAL A 115 7.720 -0.870 -7.712 1.00 0.36 H new ATOM 1698 N ALA A 116 3.986 -0.525 -10.497 1.00 0.24 N ATOM 1699 CA ALA A 116 2.743 -0.244 -11.263 1.00 0.25 C ATOM 1700 C ALA A 116 2.113 -1.571 -11.694 1.00 0.26 C ATOM 1701 O ALA A 116 0.915 -1.750 -11.631 1.00 0.27 O ATOM 1702 CB ALA A 116 3.092 0.578 -12.505 1.00 0.27 C ATOM 0 H ALA A 116 4.840 -0.134 -10.895 1.00 0.24 H new ATOM 0 HA ALA A 116 2.042 0.313 -10.642 1.00 0.25 H new ATOM 0 HB1 ALA A 116 2.184 0.787 -13.070 1.00 0.27 H new ATOM 0 HB2 ALA A 116 3.554 1.517 -12.202 1.00 0.27 H new ATOM 0 HB3 ALA A 116 3.787 0.017 -13.129 1.00 0.27 H new ATOM 1708 N ALA A 117 2.915 -2.508 -12.125 1.00 0.27 N ATOM 1709 CA ALA A 117 2.364 -3.825 -12.554 1.00 0.31 C ATOM 1710 C ALA A 117 1.709 -4.521 -11.358 1.00 0.30 C ATOM 1711 O ALA A 117 0.682 -5.158 -11.484 1.00 0.32 O ATOM 1712 CB ALA A 117 3.493 -4.703 -13.100 1.00 0.34 C ATOM 0 H ALA A 117 3.928 -2.418 -12.198 1.00 0.27 H new ATOM 0 HA ALA A 117 1.620 -3.667 -13.334 1.00 0.31 H new ATOM 0 HB1 ALA A 117 3.087 -5.665 -13.413 1.00 0.34 H new ATOM 0 HB2 ALA A 117 3.957 -4.210 -13.954 1.00 0.34 H new ATOM 0 HB3 ALA A 117 4.240 -4.860 -12.322 1.00 0.34 H new ATOM 1718 N HIS A 118 2.301 -4.414 -10.199 1.00 0.29 N ATOM 1719 CA HIS A 118 1.717 -5.081 -9.001 1.00 0.30 C ATOM 1720 C HIS A 118 0.420 -4.373 -8.593 1.00 0.27 C ATOM 1721 O HIS A 118 -0.591 -5.007 -8.359 1.00 0.26 O ATOM 1722 CB HIS A 118 2.722 -5.007 -7.844 1.00 0.34 C ATOM 1723 CG HIS A 118 2.246 -5.843 -6.680 1.00 0.36 C ATOM 1724 ND1 HIS A 118 3.065 -6.771 -6.055 1.00 0.70 N ATOM 1725 CD2 HIS A 118 1.051 -5.889 -6.002 1.00 0.55 C ATOM 1726 CE1 HIS A 118 2.360 -7.327 -5.051 1.00 0.65 C ATOM 1727 NE2 HIS A 118 1.126 -6.827 -4.977 1.00 0.50 N ATOM 0 H HIS A 118 3.162 -3.894 -10.031 1.00 0.29 H new ATOM 0 HA HIS A 118 1.499 -6.123 -9.236 1.00 0.30 H new ATOM 0 HB2 HIS A 118 3.698 -5.359 -8.178 1.00 0.34 H new ATOM 0 HB3 HIS A 118 2.848 -3.971 -7.529 1.00 0.34 H new ATOM 0 HD1 HIS A 118 4.028 -6.993 -6.310 1.00 0.70 H new ATOM 0 HD2 HIS A 118 0.184 -5.287 -6.231 1.00 0.55 H new ATOM 0 HE1 HIS A 118 2.747 -8.085 -4.387 1.00 0.65 H new ATOM 1735 N GLU A 119 0.432 -3.071 -8.498 1.00 0.29 N ATOM 1736 CA GLU A 119 -0.809 -2.353 -8.084 1.00 0.29 C ATOM 1737 C GLU A 119 -1.943 -2.699 -9.046 1.00 0.27 C ATOM 1738 O GLU A 119 -3.072 -2.895 -8.644 1.00 0.28 O ATOM 1739 CB GLU A 119 -0.573 -0.843 -8.120 1.00 0.33 C ATOM 1740 CG GLU A 119 0.582 -0.483 -7.189 1.00 0.42 C ATOM 1741 CD GLU A 119 0.126 0.578 -6.186 1.00 1.15 C ATOM 1742 OE1 GLU A 119 -0.363 0.198 -5.135 1.00 1.95 O ATOM 1743 OE2 GLU A 119 0.276 1.751 -6.485 1.00 1.92 O ATOM 0 H GLU A 119 1.239 -2.477 -8.687 1.00 0.29 H new ATOM 0 HA GLU A 119 -1.074 -2.658 -7.071 1.00 0.29 H new ATOM 0 HB2 GLU A 119 -0.346 -0.524 -9.137 1.00 0.33 H new ATOM 0 HB3 GLU A 119 -1.477 -0.316 -7.815 1.00 0.33 H new ATOM 0 HG2 GLU A 119 0.926 -1.372 -6.661 1.00 0.42 H new ATOM 0 HG3 GLU A 119 1.426 -0.110 -7.769 1.00 0.42 H new ATOM 1750 N LEU A 120 -1.651 -2.781 -10.311 1.00 0.26 N ATOM 1751 CA LEU A 120 -2.712 -3.120 -11.297 1.00 0.27 C ATOM 1752 C LEU A 120 -3.244 -4.522 -10.988 1.00 0.26 C ATOM 1753 O LEU A 120 -4.426 -4.782 -11.085 1.00 0.28 O ATOM 1754 CB LEU A 120 -2.129 -3.078 -12.715 1.00 0.30 C ATOM 1755 CG LEU A 120 -1.808 -1.620 -13.117 1.00 0.32 C ATOM 1756 CD1 LEU A 120 -0.996 -1.598 -14.420 1.00 0.40 C ATOM 1757 CD2 LEU A 120 -3.101 -0.823 -13.347 1.00 0.35 C ATOM 0 H LEU A 120 -0.723 -2.628 -10.706 1.00 0.26 H new ATOM 0 HA LEU A 120 -3.527 -2.399 -11.232 1.00 0.27 H new ATOM 0 HB2 LEU A 120 -1.224 -3.684 -12.762 1.00 0.30 H new ATOM 0 HB3 LEU A 120 -2.839 -3.510 -13.421 1.00 0.30 H new ATOM 0 HG LEU A 120 -1.236 -1.170 -12.306 1.00 0.32 H new ATOM 0 HD11 LEU A 120 -0.775 -0.566 -14.694 1.00 0.40 H new ATOM 0 HD12 LEU A 120 -0.063 -2.143 -14.276 1.00 0.40 H new ATOM 0 HD13 LEU A 120 -1.572 -2.069 -15.216 1.00 0.40 H new ATOM 0 HD21 LEU A 120 -2.852 0.200 -13.629 1.00 0.35 H new ATOM 0 HD22 LEU A 120 -3.679 -1.289 -14.145 1.00 0.35 H new ATOM 0 HD23 LEU A 120 -3.691 -0.814 -12.430 1.00 0.35 H new ATOM 1769 N GLY A 121 -2.381 -5.428 -10.613 1.00 0.25 N ATOM 1770 CA GLY A 121 -2.847 -6.809 -10.297 1.00 0.27 C ATOM 1771 C GLY A 121 -3.895 -6.746 -9.182 1.00 0.26 C ATOM 1772 O GLY A 121 -4.888 -7.446 -9.211 1.00 0.28 O ATOM 0 H GLY A 121 -1.378 -5.273 -10.512 1.00 0.25 H new ATOM 0 HA2 GLY A 121 -3.273 -7.274 -11.186 1.00 0.27 H new ATOM 0 HA3 GLY A 121 -2.005 -7.427 -9.986 1.00 0.27 H new ATOM 1776 N HIS A 122 -3.689 -5.904 -8.206 1.00 0.26 N ATOM 1777 CA HIS A 122 -4.679 -5.787 -7.098 1.00 0.29 C ATOM 1778 C HIS A 122 -5.999 -5.250 -7.655 1.00 0.30 C ATOM 1779 O HIS A 122 -7.068 -5.673 -7.263 1.00 0.32 O ATOM 1780 CB HIS A 122 -4.149 -4.836 -6.021 1.00 0.32 C ATOM 1781 CG HIS A 122 -3.112 -5.545 -5.193 1.00 0.34 C ATOM 1782 ND1 HIS A 122 -3.271 -6.856 -4.773 1.00 0.60 N ATOM 1783 CD2 HIS A 122 -1.899 -5.138 -4.695 1.00 0.35 C ATOM 1784 CE1 HIS A 122 -2.182 -7.189 -4.057 1.00 0.57 C ATOM 1785 NE2 HIS A 122 -1.313 -6.177 -3.978 1.00 0.38 N ATOM 0 H HIS A 122 -2.877 -5.292 -8.128 1.00 0.26 H new ATOM 0 HA HIS A 122 -4.841 -6.769 -6.654 1.00 0.29 H new ATOM 0 HB2 HIS A 122 -3.716 -3.950 -6.484 1.00 0.32 H new ATOM 0 HB3 HIS A 122 -4.967 -4.496 -5.386 1.00 0.32 H new ATOM 0 HD1 HIS A 122 -4.069 -7.459 -4.971 1.00 0.60 H new ATOM 0 HD2 HIS A 122 -1.465 -4.159 -4.838 1.00 0.35 H new ATOM 0 HE1 HIS A 122 -2.029 -8.156 -3.602 1.00 0.57 H new ATOM 1793 N SER A 123 -5.933 -4.316 -8.565 1.00 0.29 N ATOM 1794 CA SER A 123 -7.184 -3.749 -9.143 1.00 0.33 C ATOM 1795 C SER A 123 -7.857 -4.802 -10.023 1.00 0.32 C ATOM 1796 O SER A 123 -9.043 -4.742 -10.283 1.00 0.37 O ATOM 1797 CB SER A 123 -6.844 -2.523 -9.992 1.00 0.35 C ATOM 1798 OG SER A 123 -6.022 -2.920 -11.082 1.00 1.31 O ATOM 0 H SER A 123 -5.067 -3.922 -8.933 1.00 0.29 H new ATOM 0 HA SER A 123 -7.858 -3.458 -8.337 1.00 0.33 H new ATOM 0 HB2 SER A 123 -7.758 -2.057 -10.361 1.00 0.35 H new ATOM 0 HB3 SER A 123 -6.329 -1.778 -9.386 1.00 0.35 H new ATOM 0 HG SER A 123 -5.561 -3.755 -10.857 1.00 1.31 H new ATOM 1804 N LEU A 124 -7.114 -5.772 -10.477 1.00 0.28 N ATOM 1805 CA LEU A 124 -7.718 -6.831 -11.332 1.00 0.30 C ATOM 1806 C LEU A 124 -8.325 -7.909 -10.434 1.00 0.32 C ATOM 1807 O LEU A 124 -8.958 -8.836 -10.898 1.00 0.37 O ATOM 1808 CB LEU A 124 -6.637 -7.449 -12.222 1.00 0.29 C ATOM 1809 CG LEU A 124 -6.191 -6.429 -13.279 1.00 0.30 C ATOM 1810 CD1 LEU A 124 -4.955 -6.981 -14.012 1.00 0.32 C ATOM 1811 CD2 LEU A 124 -7.355 -6.154 -14.260 1.00 0.35 C ATOM 0 H LEU A 124 -6.116 -5.877 -10.293 1.00 0.28 H new ATOM 0 HA LEU A 124 -8.495 -6.399 -11.963 1.00 0.30 H new ATOM 0 HB2 LEU A 124 -5.784 -7.755 -11.616 1.00 0.29 H new ATOM 0 HB3 LEU A 124 -7.021 -8.346 -12.708 1.00 0.29 H new ATOM 0 HG LEU A 124 -5.923 -5.484 -12.807 1.00 0.30 H new ATOM 0 HD11 LEU A 124 -4.629 -6.264 -14.766 1.00 0.32 H new ATOM 0 HD12 LEU A 124 -4.150 -7.145 -13.295 1.00 0.32 H new ATOM 0 HD13 LEU A 124 -5.209 -7.925 -14.494 1.00 0.32 H new ATOM 0 HD21 LEU A 124 -7.036 -5.430 -15.009 1.00 0.35 H new ATOM 0 HD22 LEU A 124 -7.643 -7.083 -14.753 1.00 0.35 H new ATOM 0 HD23 LEU A 124 -8.208 -5.756 -13.710 1.00 0.35 H new ATOM 1823 N GLY A 125 -8.143 -7.787 -9.147 1.00 0.31 N ATOM 1824 CA GLY A 125 -8.718 -8.797 -8.215 1.00 0.35 C ATOM 1825 C GLY A 125 -7.727 -9.941 -8.005 1.00 0.32 C ATOM 1826 O GLY A 125 -8.079 -10.988 -7.499 1.00 0.36 O ATOM 0 H GLY A 125 -7.621 -7.032 -8.702 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -8.953 -8.329 -7.259 1.00 0.35 H new ATOM 0 HA3 GLY A 125 -9.653 -9.185 -8.619 1.00 0.35 H new ATOM 1830 N LEU A 126 -6.490 -9.761 -8.383 1.00 0.29 N ATOM 1831 CA LEU A 126 -5.504 -10.860 -8.188 1.00 0.29 C ATOM 1832 C LEU A 126 -4.947 -10.789 -6.766 1.00 0.31 C ATOM 1833 O LEU A 126 -4.523 -9.751 -6.298 1.00 0.33 O ATOM 1834 CB LEU A 126 -4.353 -10.735 -9.204 1.00 0.28 C ATOM 1835 CG LEU A 126 -4.881 -10.775 -10.659 1.00 0.28 C ATOM 1836 CD1 LEU A 126 -3.753 -10.359 -11.629 1.00 0.30 C ATOM 1837 CD2 LEU A 126 -5.384 -12.190 -11.038 1.00 0.32 C ATOM 0 H LEU A 126 -6.124 -8.912 -8.813 1.00 0.29 H new ATOM 0 HA LEU A 126 -6.001 -11.818 -8.342 1.00 0.29 H new ATOM 0 HB2 LEU A 126 -3.816 -9.802 -9.035 1.00 0.28 H new ATOM 0 HB3 LEU A 126 -3.640 -11.545 -9.051 1.00 0.28 H new ATOM 0 HG LEU A 126 -5.718 -10.081 -10.734 1.00 0.28 H new ATOM 0 HD11 LEU A 126 -4.125 -10.387 -12.653 1.00 0.30 H new ATOM 0 HD12 LEU A 126 -3.423 -9.348 -11.391 1.00 0.30 H new ATOM 0 HD13 LEU A 126 -2.914 -11.048 -11.529 1.00 0.30 H new ATOM 0 HD21 LEU A 126 -5.748 -12.184 -12.065 1.00 0.32 H new ATOM 0 HD22 LEU A 126 -4.565 -12.904 -10.947 1.00 0.32 H new ATOM 0 HD23 LEU A 126 -6.194 -12.480 -10.368 1.00 0.32 H new ATOM 1849 N SER A 127 -4.958 -11.898 -6.079 1.00 0.35 N ATOM 1850 CA SER A 127 -4.445 -11.930 -4.682 1.00 0.40 C ATOM 1851 C SER A 127 -2.941 -12.205 -4.693 1.00 0.38 C ATOM 1852 O SER A 127 -2.369 -12.538 -5.712 1.00 0.37 O ATOM 1853 CB SER A 127 -5.158 -13.042 -3.912 1.00 0.48 C ATOM 1854 OG SER A 127 -6.563 -12.864 -4.027 1.00 0.50 O ATOM 0 H SER A 127 -5.304 -12.791 -6.430 1.00 0.35 H new ATOM 0 HA SER A 127 -4.632 -10.969 -4.202 1.00 0.40 H new ATOM 0 HB2 SER A 127 -4.869 -14.016 -4.306 1.00 0.48 H new ATOM 0 HB3 SER A 127 -4.862 -13.022 -2.863 1.00 0.48 H new ATOM 0 HG SER A 127 -7.024 -13.576 -3.536 1.00 0.50 H new ATOM 1860 N HIS A 128 -2.297 -12.072 -3.566 1.00 0.40 N ATOM 1861 CA HIS A 128 -0.832 -12.330 -3.514 1.00 0.40 C ATOM 1862 C HIS A 128 -0.562 -13.817 -3.748 1.00 0.44 C ATOM 1863 O HIS A 128 -1.417 -14.652 -3.532 1.00 0.49 O ATOM 1864 CB HIS A 128 -0.281 -11.916 -2.149 1.00 0.44 C ATOM 1865 CG HIS A 128 -0.279 -10.416 -2.043 1.00 0.43 C ATOM 1866 ND1 HIS A 128 -1.076 -9.737 -1.134 1.00 1.04 N ATOM 1867 CD2 HIS A 128 0.418 -9.449 -2.726 1.00 0.58 C ATOM 1868 CE1 HIS A 128 -0.840 -8.421 -1.292 1.00 0.96 C ATOM 1869 NE2 HIS A 128 0.063 -8.191 -2.250 1.00 0.43 N ATOM 0 H HIS A 128 -2.722 -11.796 -2.681 1.00 0.40 H new ATOM 0 HA HIS A 128 -0.338 -11.747 -4.292 1.00 0.40 H new ATOM 0 HB2 HIS A 128 -0.889 -12.347 -1.354 1.00 0.44 H new ATOM 0 HB3 HIS A 128 0.730 -12.302 -2.021 1.00 0.44 H new ATOM 0 HD1 HIS A 128 -1.723 -10.158 -0.467 1.00 1.04 H new ATOM 0 HD2 HIS A 128 1.133 -9.637 -3.513 1.00 0.58 H new ATOM 0 HE1 HIS A 128 -1.322 -7.646 -0.715 1.00 0.96 H new ATOM 1877 N SER A 129 0.625 -14.144 -4.192 1.00 0.43 N ATOM 1878 CA SER A 129 0.976 -15.573 -4.452 1.00 0.49 C ATOM 1879 C SER A 129 2.268 -15.921 -3.710 1.00 0.51 C ATOM 1880 O SER A 129 2.990 -15.052 -3.263 1.00 0.50 O ATOM 1881 CB SER A 129 1.180 -15.781 -5.953 1.00 0.50 C ATOM 1882 OG SER A 129 1.654 -17.102 -6.183 1.00 0.57 O ATOM 0 H SER A 129 1.372 -13.477 -4.387 1.00 0.43 H new ATOM 0 HA SER A 129 0.169 -16.217 -4.102 1.00 0.49 H new ATOM 0 HB2 SER A 129 0.242 -15.621 -6.485 1.00 0.50 H new ATOM 0 HB3 SER A 129 1.894 -15.053 -6.339 1.00 0.50 H new ATOM 0 HG SER A 129 1.256 -17.454 -7.006 1.00 0.57 H new ATOM 1888 N THR A 130 2.557 -17.189 -3.573 1.00 0.57 N ATOM 1889 CA THR A 130 3.798 -17.611 -2.857 1.00 0.61 C ATOM 1890 C THR A 130 4.851 -18.059 -3.871 1.00 0.62 C ATOM 1891 O THR A 130 5.861 -18.635 -3.519 1.00 0.67 O ATOM 1892 CB THR A 130 3.468 -18.777 -1.921 1.00 0.68 C ATOM 1893 OG1 THR A 130 2.924 -19.850 -2.679 1.00 0.70 O ATOM 1894 CG2 THR A 130 2.452 -18.324 -0.871 1.00 0.72 C ATOM 0 H THR A 130 1.984 -17.954 -3.928 1.00 0.57 H new ATOM 0 HA THR A 130 4.187 -16.772 -2.280 1.00 0.61 H new ATOM 0 HB THR A 130 4.377 -19.109 -1.420 1.00 0.68 H new ATOM 0 HG1 THR A 130 2.714 -20.598 -2.082 1.00 0.70 H new ATOM 0 HG21 THR A 130 2.220 -19.156 -0.207 1.00 0.72 H new ATOM 0 HG22 THR A 130 2.871 -17.502 -0.290 1.00 0.72 H new ATOM 0 HG23 THR A 130 1.541 -17.990 -1.367 1.00 0.72 H new ATOM 1902 N ASP A 131 4.623 -17.803 -5.129 1.00 0.58 N ATOM 1903 CA ASP A 131 5.610 -18.218 -6.164 1.00 0.61 C ATOM 1904 C ASP A 131 6.714 -17.161 -6.279 1.00 0.60 C ATOM 1905 O ASP A 131 6.453 -15.983 -6.402 1.00 0.54 O ATOM 1906 CB ASP A 131 4.896 -18.374 -7.507 1.00 0.60 C ATOM 1907 CG ASP A 131 5.867 -18.931 -8.550 1.00 0.67 C ATOM 1908 OD1 ASP A 131 7.024 -18.547 -8.517 1.00 1.23 O ATOM 1909 OD2 ASP A 131 5.434 -19.725 -9.369 1.00 1.33 O ATOM 0 H ASP A 131 3.796 -17.324 -5.485 1.00 0.58 H new ATOM 0 HA ASP A 131 6.060 -19.169 -5.880 1.00 0.61 H new ATOM 0 HB2 ASP A 131 4.041 -19.042 -7.399 1.00 0.60 H new ATOM 0 HB3 ASP A 131 4.508 -17.410 -7.837 1.00 0.60 H new ATOM 1914 N ILE A 132 7.948 -17.577 -6.235 1.00 0.69 N ATOM 1915 CA ILE A 132 9.073 -16.605 -6.339 1.00 0.71 C ATOM 1916 C ILE A 132 8.997 -15.855 -7.673 1.00 0.67 C ATOM 1917 O ILE A 132 9.272 -14.674 -7.745 1.00 0.66 O ATOM 1918 CB ILE A 132 10.405 -17.365 -6.225 1.00 0.85 C ATOM 1919 CG1 ILE A 132 10.868 -17.325 -4.761 1.00 1.69 C ATOM 1920 CG2 ILE A 132 11.474 -16.729 -7.129 1.00 1.39 C ATOM 1921 CD1 ILE A 132 12.100 -18.216 -4.561 1.00 1.82 C ATOM 0 H ILE A 132 8.228 -18.552 -6.131 1.00 0.69 H new ATOM 0 HA ILE A 132 9.004 -15.875 -5.532 1.00 0.71 H new ATOM 0 HB ILE A 132 10.261 -18.396 -6.547 1.00 0.85 H new ATOM 0 HG12 ILE A 132 11.104 -16.300 -4.476 1.00 1.69 H new ATOM 0 HG13 ILE A 132 10.061 -17.659 -4.109 1.00 1.69 H new ATOM 0 HG21 ILE A 132 12.408 -17.282 -7.033 1.00 1.39 H new ATOM 0 HG22 ILE A 132 11.139 -16.760 -8.166 1.00 1.39 H new ATOM 0 HG23 ILE A 132 11.634 -15.693 -6.830 1.00 1.39 H new ATOM 0 HD11 ILE A 132 12.413 -18.175 -3.518 1.00 1.82 H new ATOM 0 HD12 ILE A 132 11.852 -19.244 -4.825 1.00 1.82 H new ATOM 0 HD13 ILE A 132 12.911 -17.863 -5.198 1.00 1.82 H new ATOM 1933 N GLY A 133 8.649 -16.530 -8.732 1.00 0.67 N ATOM 1934 CA GLY A 133 8.586 -15.850 -10.057 1.00 0.67 C ATOM 1935 C GLY A 133 7.308 -15.013 -10.181 1.00 0.58 C ATOM 1936 O GLY A 133 7.080 -14.375 -11.189 1.00 0.59 O ATOM 0 H GLY A 133 8.406 -17.521 -8.739 1.00 0.67 H new ATOM 0 HA2 GLY A 133 9.459 -15.210 -10.184 1.00 0.67 H new ATOM 0 HA3 GLY A 133 8.618 -16.593 -10.854 1.00 0.67 H new ATOM 1940 N ALA A 134 6.472 -14.993 -9.176 1.00 0.50 N ATOM 1941 CA ALA A 134 5.229 -14.173 -9.282 1.00 0.43 C ATOM 1942 C ALA A 134 5.544 -12.726 -8.920 1.00 0.40 C ATOM 1943 O ALA A 134 6.183 -12.448 -7.923 1.00 0.42 O ATOM 1944 CB ALA A 134 4.149 -14.700 -8.334 1.00 0.41 C ATOM 0 H ALA A 134 6.593 -15.500 -8.299 1.00 0.50 H new ATOM 0 HA ALA A 134 4.861 -14.234 -10.306 1.00 0.43 H new ATOM 0 HB1 ALA A 134 3.252 -14.088 -8.428 1.00 0.41 H new ATOM 0 HB2 ALA A 134 3.912 -15.732 -8.591 1.00 0.41 H new ATOM 0 HB3 ALA A 134 4.513 -14.656 -7.307 1.00 0.41 H new ATOM 1950 N LEU A 135 5.096 -11.799 -9.715 1.00 0.41 N ATOM 1951 CA LEU A 135 5.365 -10.371 -9.407 1.00 0.41 C ATOM 1952 C LEU A 135 4.553 -9.973 -8.180 1.00 0.39 C ATOM 1953 O LEU A 135 4.893 -9.046 -7.472 1.00 0.42 O ATOM 1954 CB LEU A 135 4.972 -9.487 -10.599 1.00 0.45 C ATOM 1955 CG LEU A 135 5.831 -9.822 -11.831 1.00 0.51 C ATOM 1956 CD1 LEU A 135 5.161 -9.238 -13.075 1.00 0.59 C ATOM 1957 CD2 LEU A 135 7.234 -9.201 -11.708 1.00 0.57 C ATOM 0 H LEU A 135 4.556 -11.968 -10.564 1.00 0.41 H new ATOM 0 HA LEU A 135 6.429 -10.235 -9.211 1.00 0.41 H new ATOM 0 HB2 LEU A 135 3.918 -9.633 -10.834 1.00 0.45 H new ATOM 0 HB3 LEU A 135 5.098 -8.437 -10.336 1.00 0.45 H new ATOM 0 HG LEU A 135 5.923 -10.906 -11.903 1.00 0.51 H new ATOM 0 HD11 LEU A 135 5.762 -9.470 -13.954 1.00 0.59 H new ATOM 0 HD12 LEU A 135 4.167 -9.671 -13.190 1.00 0.59 H new ATOM 0 HD13 LEU A 135 5.076 -8.157 -12.969 1.00 0.59 H new ATOM 0 HD21 LEU A 135 7.822 -9.452 -12.591 1.00 0.57 H new ATOM 0 HD22 LEU A 135 7.146 -8.118 -11.626 1.00 0.57 H new ATOM 0 HD23 LEU A 135 7.729 -9.593 -10.819 1.00 0.57 H new ATOM 1969 N MET A 136 3.482 -10.665 -7.919 1.00 0.39 N ATOM 1970 CA MET A 136 2.661 -10.320 -6.733 1.00 0.44 C ATOM 1971 C MET A 136 3.405 -10.775 -5.474 1.00 0.47 C ATOM 1972 O MET A 136 2.846 -11.420 -4.609 1.00 0.57 O ATOM 1973 CB MET A 136 1.314 -11.039 -6.818 1.00 0.52 C ATOM 1974 CG MET A 136 0.661 -10.753 -8.172 1.00 0.57 C ATOM 1975 SD MET A 136 0.388 -8.970 -8.360 1.00 1.26 S ATOM 1976 CE MET A 136 -0.992 -8.801 -7.197 1.00 0.59 C ATOM 0 H MET A 136 3.142 -11.451 -8.474 1.00 0.39 H new ATOM 0 HA MET A 136 2.490 -9.244 -6.697 1.00 0.44 H new ATOM 0 HB2 MET A 136 1.455 -12.112 -6.691 1.00 0.52 H new ATOM 0 HB3 MET A 136 0.661 -10.706 -6.011 1.00 0.52 H new ATOM 0 HG2 MET A 136 1.298 -11.119 -8.977 1.00 0.57 H new ATOM 0 HG3 MET A 136 -0.287 -11.285 -8.248 1.00 0.57 H new ATOM 0 HE1 MET A 136 -1.539 -7.883 -7.413 1.00 0.59 H new ATOM 0 HE2 MET A 136 -1.661 -9.655 -7.300 1.00 0.59 H new ATOM 0 HE3 MET A 136 -0.607 -8.762 -6.178 1.00 0.59 H new ATOM 1986 N TYR A 137 4.673 -10.463 -5.377 1.00 0.44 N ATOM 1987 CA TYR A 137 5.462 -10.901 -4.188 1.00 0.51 C ATOM 1988 C TYR A 137 4.948 -10.150 -2.938 1.00 0.54 C ATOM 1989 O TYR A 137 4.718 -8.959 -3.002 1.00 0.52 O ATOM 1990 CB TYR A 137 6.942 -10.558 -4.408 1.00 0.53 C ATOM 1991 CG TYR A 137 7.796 -11.454 -3.540 1.00 0.64 C ATOM 1992 CD1 TYR A 137 8.085 -11.092 -2.221 1.00 0.62 C ATOM 1993 CD2 TYR A 137 8.282 -12.661 -4.054 1.00 0.94 C ATOM 1994 CE1 TYR A 137 8.854 -11.938 -1.413 1.00 0.72 C ATOM 1995 CE2 TYR A 137 9.058 -13.504 -3.250 1.00 1.08 C ATOM 1996 CZ TYR A 137 9.342 -13.143 -1.928 1.00 0.91 C ATOM 1997 OH TYR A 137 10.099 -13.977 -1.131 1.00 1.06 O ATOM 0 H TYR A 137 5.194 -9.925 -6.069 1.00 0.44 H new ATOM 0 HA TYR A 137 5.351 -11.976 -4.047 1.00 0.51 H new ATOM 0 HB2 TYR A 137 7.206 -10.690 -5.457 1.00 0.53 H new ATOM 0 HB3 TYR A 137 7.125 -9.512 -4.162 1.00 0.53 H new ATOM 0 HD1 TYR A 137 7.714 -10.158 -1.825 1.00 0.62 H new ATOM 0 HD2 TYR A 137 8.058 -12.943 -5.072 1.00 0.94 H new ATOM 0 HE1 TYR A 137 9.070 -11.660 -0.392 1.00 0.72 H new ATOM 0 HE2 TYR A 137 9.437 -14.433 -3.650 1.00 1.08 H new ATOM 0 HH TYR A 137 10.357 -14.772 -1.642 1.00 1.06 H new ATOM 2007 N PRO A 138 4.759 -10.810 -1.805 1.00 0.62 N ATOM 2008 CA PRO A 138 4.260 -10.100 -0.590 1.00 0.69 C ATOM 2009 C PRO A 138 5.105 -8.868 -0.226 1.00 0.68 C ATOM 2010 O PRO A 138 4.583 -7.800 0.023 1.00 1.13 O ATOM 2011 CB PRO A 138 4.367 -11.172 0.499 1.00 0.83 C ATOM 2012 CG PRO A 138 4.859 -12.480 -0.133 1.00 0.82 C ATOM 2013 CD PRO A 138 5.015 -12.273 -1.641 1.00 0.71 C ATOM 0 HA PRO A 138 3.254 -9.705 -0.731 1.00 0.69 H new ATOM 0 HB2 PRO A 138 5.056 -10.848 1.279 1.00 0.83 H new ATOM 0 HB3 PRO A 138 3.398 -11.325 0.973 1.00 0.83 H new ATOM 0 HG2 PRO A 138 5.811 -12.777 0.307 1.00 0.82 H new ATOM 0 HG3 PRO A 138 4.151 -13.285 0.066 1.00 0.82 H new ATOM 0 HD2 PRO A 138 6.011 -12.550 -1.986 1.00 0.71 H new ATOM 0 HD3 PRO A 138 4.303 -12.874 -2.207 1.00 0.71 H new ATOM 2021 N SER A 139 6.402 -9.020 -0.185 1.00 0.68 N ATOM 2022 CA SER A 139 7.299 -7.875 0.169 1.00 0.64 C ATOM 2023 C SER A 139 7.997 -7.341 -1.086 1.00 0.59 C ATOM 2024 O SER A 139 7.859 -7.878 -2.166 1.00 0.61 O ATOM 2025 CB SER A 139 8.360 -8.355 1.159 1.00 0.71 C ATOM 2026 OG SER A 139 9.276 -9.208 0.484 1.00 1.34 O ATOM 0 H SER A 139 6.885 -9.896 -0.383 1.00 0.68 H new ATOM 0 HA SER A 139 6.700 -7.080 0.613 1.00 0.64 H new ATOM 0 HB2 SER A 139 8.887 -7.503 1.588 1.00 0.71 H new ATOM 0 HB3 SER A 139 7.889 -8.888 1.985 1.00 0.71 H new ATOM 0 HG SER A 139 8.798 -9.732 -0.192 1.00 1.34 H new ATOM 2032 N TYR A 140 8.758 -6.288 -0.950 1.00 0.59 N ATOM 2033 CA TYR A 140 9.474 -5.735 -2.132 1.00 0.60 C ATOM 2034 C TYR A 140 10.793 -6.486 -2.298 1.00 0.67 C ATOM 2035 O TYR A 140 11.660 -6.428 -1.448 1.00 0.79 O ATOM 2036 CB TYR A 140 9.755 -4.246 -1.914 1.00 0.65 C ATOM 2037 CG TYR A 140 10.586 -3.715 -3.059 1.00 0.75 C ATOM 2038 CD1 TYR A 140 9.960 -3.209 -4.205 1.00 0.78 C ATOM 2039 CD2 TYR A 140 11.984 -3.740 -2.979 1.00 0.88 C ATOM 2040 CE1 TYR A 140 10.733 -2.727 -5.269 1.00 0.93 C ATOM 2041 CE2 TYR A 140 12.756 -3.260 -4.044 1.00 1.01 C ATOM 2042 CZ TYR A 140 12.130 -2.754 -5.188 1.00 1.03 C ATOM 2043 OH TYR A 140 12.891 -2.288 -6.238 1.00 1.19 O ATOM 0 H TYR A 140 8.913 -5.789 -0.074 1.00 0.59 H new ATOM 0 HA TYR A 140 8.862 -5.853 -3.026 1.00 0.60 H new ATOM 0 HB2 TYR A 140 8.817 -3.695 -1.845 1.00 0.65 H new ATOM 0 HB3 TYR A 140 10.281 -4.099 -0.971 1.00 0.65 H new ATOM 0 HD1 TYR A 140 8.882 -3.190 -4.268 1.00 0.78 H new ATOM 0 HD2 TYR A 140 12.467 -4.130 -2.095 1.00 0.88 H new ATOM 0 HE1 TYR A 140 10.251 -2.334 -6.152 1.00 0.93 H new ATOM 0 HE2 TYR A 140 13.834 -3.280 -3.982 1.00 1.01 H new ATOM 0 HH TYR A 140 13.763 -1.991 -5.904 1.00 1.19 H new ATOM 2053 N THR A 141 10.945 -7.191 -3.387 1.00 0.73 N ATOM 2054 CA THR A 141 12.201 -7.958 -3.620 1.00 0.86 C ATOM 2055 C THR A 141 12.711 -7.684 -5.023 1.00 1.07 C ATOM 2056 O THR A 141 11.951 -7.458 -5.944 1.00 1.29 O ATOM 2057 CB THR A 141 11.925 -9.455 -3.481 1.00 0.93 C ATOM 2058 OG1 THR A 141 10.845 -9.816 -4.333 1.00 1.07 O ATOM 2059 CG2 THR A 141 11.566 -9.779 -2.035 1.00 0.94 C ATOM 0 H THR A 141 10.249 -7.268 -4.129 1.00 0.73 H new ATOM 0 HA THR A 141 12.946 -7.650 -2.886 1.00 0.86 H new ATOM 0 HB THR A 141 12.816 -10.016 -3.764 1.00 0.93 H new ATOM 0 HG1 THR A 141 10.127 -10.216 -3.799 1.00 1.07 H new ATOM 0 HG21 THR A 141 11.370 -10.847 -1.939 1.00 0.94 H new ATOM 0 HG22 THR A 141 12.395 -9.503 -1.384 1.00 0.94 H new ATOM 0 HG23 THR A 141 10.676 -9.219 -1.747 1.00 0.94 H new ATOM 2067 N PHE A 142 13.995 -7.707 -5.189 1.00 1.28 N ATOM 2068 CA PHE A 142 14.570 -7.455 -6.526 1.00 1.57 C ATOM 2069 C PHE A 142 14.667 -8.789 -7.277 1.00 1.39 C ATOM 2070 O PHE A 142 15.250 -9.739 -6.802 1.00 1.68 O ATOM 2071 CB PHE A 142 15.951 -6.790 -6.351 1.00 1.99 C ATOM 2072 CG PHE A 142 17.069 -7.701 -6.811 1.00 2.27 C ATOM 2073 CD1 PHE A 142 17.418 -8.827 -6.054 1.00 2.79 C ATOM 2074 CD2 PHE A 142 17.764 -7.411 -7.992 1.00 2.98 C ATOM 2075 CE1 PHE A 142 18.453 -9.666 -6.480 1.00 3.68 C ATOM 2076 CE2 PHE A 142 18.801 -8.250 -8.417 1.00 3.81 C ATOM 2077 CZ PHE A 142 19.144 -9.378 -7.662 1.00 4.08 C ATOM 0 H PHE A 142 14.675 -7.891 -4.451 1.00 1.28 H new ATOM 0 HA PHE A 142 13.942 -6.782 -7.110 1.00 1.57 H new ATOM 0 HB2 PHE A 142 15.982 -5.860 -6.918 1.00 1.99 H new ATOM 0 HB3 PHE A 142 16.100 -6.530 -5.303 1.00 1.99 H new ATOM 0 HD1 PHE A 142 16.887 -9.048 -5.140 1.00 2.79 H new ATOM 0 HD2 PHE A 142 17.500 -6.541 -8.574 1.00 2.98 H new ATOM 0 HE1 PHE A 142 18.719 -10.535 -5.897 1.00 3.68 H new ATOM 0 HE2 PHE A 142 19.337 -8.027 -9.328 1.00 3.81 H new ATOM 0 HZ PHE A 142 19.942 -10.026 -7.992 1.00 4.08 H new ATOM 2087 N SER A 143 14.080 -8.877 -8.441 1.00 1.71 N ATOM 2088 CA SER A 143 14.143 -10.152 -9.218 1.00 1.94 C ATOM 2089 C SER A 143 15.039 -9.920 -10.426 1.00 1.80 C ATOM 2090 O SER A 143 16.145 -9.434 -10.294 1.00 2.64 O ATOM 2091 CB SER A 143 12.747 -10.571 -9.692 1.00 2.92 C ATOM 2092 OG SER A 143 12.331 -9.720 -10.753 1.00 3.44 O ATOM 0 H SER A 143 13.560 -8.122 -8.888 1.00 1.71 H new ATOM 0 HA SER A 143 14.538 -10.947 -8.585 1.00 1.94 H new ATOM 0 HB2 SER A 143 12.761 -11.608 -10.028 1.00 2.92 H new ATOM 0 HB3 SER A 143 12.038 -10.513 -8.866 1.00 2.92 H new ATOM 0 HG SER A 143 11.439 -9.989 -11.057 1.00 3.44 H new ATOM 2098 N GLY A 144 14.571 -10.253 -11.596 1.00 1.41 N ATOM 2099 CA GLY A 144 15.390 -10.044 -12.824 1.00 1.69 C ATOM 2100 C GLY A 144 14.592 -9.213 -13.825 1.00 1.37 C ATOM 2101 O GLY A 144 14.438 -8.017 -13.673 1.00 1.43 O ATOM 0 H GLY A 144 13.651 -10.663 -11.756 1.00 1.41 H new ATOM 0 HA2 GLY A 144 16.321 -9.536 -12.572 1.00 1.69 H new ATOM 0 HA3 GLY A 144 15.659 -11.004 -13.264 1.00 1.69 H new ATOM 2105 N ASP A 145 14.086 -9.836 -14.850 1.00 1.23 N ATOM 2106 CA ASP A 145 13.299 -9.085 -15.867 1.00 1.02 C ATOM 2107 C ASP A 145 11.841 -8.968 -15.424 1.00 0.81 C ATOM 2108 O ASP A 145 11.332 -9.795 -14.693 1.00 0.84 O ATOM 2109 CB ASP A 145 13.360 -9.827 -17.203 1.00 1.12 C ATOM 2110 CG ASP A 145 14.735 -9.628 -17.844 1.00 1.75 C ATOM 2111 OD1 ASP A 145 15.482 -8.797 -17.355 1.00 2.48 O ATOM 2112 OD2 ASP A 145 15.015 -10.309 -18.817 1.00 2.23 O ATOM 0 H ASP A 145 14.183 -10.836 -15.029 1.00 1.23 H new ATOM 0 HA ASP A 145 13.721 -8.086 -15.976 1.00 1.02 H new ATOM 0 HB2 ASP A 145 13.171 -10.889 -17.048 1.00 1.12 H new ATOM 0 HB3 ASP A 145 12.581 -9.458 -17.870 1.00 1.12 H new ATOM 2117 N VAL A 146 11.161 -7.949 -15.876 1.00 0.70 N ATOM 2118 CA VAL A 146 9.731 -7.779 -15.502 1.00 0.62 C ATOM 2119 C VAL A 146 8.865 -8.517 -16.527 1.00 0.53 C ATOM 2120 O VAL A 146 8.665 -8.052 -17.631 1.00 0.54 O ATOM 2121 CB VAL A 146 9.383 -6.282 -15.510 1.00 0.74 C ATOM 2122 CG1 VAL A 146 7.905 -6.060 -15.114 1.00 0.88 C ATOM 2123 CG2 VAL A 146 10.324 -5.545 -14.537 1.00 0.83 C ATOM 0 H VAL A 146 11.537 -7.226 -16.490 1.00 0.70 H new ATOM 0 HA VAL A 146 9.549 -8.185 -14.507 1.00 0.62 H new ATOM 0 HB VAL A 146 9.517 -5.885 -16.516 1.00 0.74 H new ATOM 0 HG11 VAL A 146 7.681 -4.993 -15.126 1.00 0.88 H new ATOM 0 HG12 VAL A 146 7.257 -6.575 -15.823 1.00 0.88 H new ATOM 0 HG13 VAL A 146 7.733 -6.455 -14.113 1.00 0.88 H new ATOM 0 HG21 VAL A 146 10.085 -4.481 -14.535 1.00 0.83 H new ATOM 0 HG22 VAL A 146 10.196 -5.947 -13.532 1.00 0.83 H new ATOM 0 HG23 VAL A 146 11.357 -5.684 -14.855 1.00 0.83 H new ATOM 2133 N GLN A 147 8.333 -9.649 -16.161 1.00 0.46 N ATOM 2134 CA GLN A 147 7.460 -10.402 -17.104 1.00 0.39 C ATOM 2135 C GLN A 147 6.348 -11.080 -16.308 1.00 0.34 C ATOM 2136 O GLN A 147 6.494 -11.356 -15.134 1.00 0.37 O ATOM 2137 CB GLN A 147 8.272 -11.462 -17.848 1.00 0.43 C ATOM 2138 CG GLN A 147 9.348 -10.784 -18.698 1.00 0.51 C ATOM 2139 CD GLN A 147 9.940 -11.801 -19.675 1.00 1.15 C ATOM 2140 OE1 GLN A 147 9.758 -12.992 -19.516 1.00 1.88 O ATOM 2141 NE2 GLN A 147 10.646 -11.379 -20.688 1.00 1.79 N ATOM 0 H GLN A 147 8.465 -10.086 -15.249 1.00 0.46 H new ATOM 0 HA GLN A 147 7.035 -9.712 -17.833 1.00 0.39 H new ATOM 0 HB2 GLN A 147 8.734 -12.146 -17.136 1.00 0.43 H new ATOM 0 HB3 GLN A 147 7.616 -12.058 -18.482 1.00 0.43 H new ATOM 0 HG2 GLN A 147 8.919 -9.945 -19.245 1.00 0.51 H new ATOM 0 HG3 GLN A 147 10.132 -10.380 -18.057 1.00 0.51 H new ATOM 0 HE21 GLN A 147 10.799 -10.379 -20.822 1.00 1.79 H new ATOM 0 HE22 GLN A 147 11.045 -12.049 -21.346 1.00 1.79 H new ATOM 2150 N LEU A 148 5.237 -11.353 -16.930 1.00 0.30 N ATOM 2151 CA LEU A 148 4.127 -12.009 -16.191 1.00 0.28 C ATOM 2152 C LEU A 148 4.465 -13.483 -15.985 1.00 0.30 C ATOM 2153 O LEU A 148 5.068 -14.120 -16.826 1.00 0.34 O ATOM 2154 CB LEU A 148 2.827 -11.894 -16.995 1.00 0.28 C ATOM 2155 CG LEU A 148 2.521 -10.419 -17.313 1.00 0.31 C ATOM 2156 CD1 LEU A 148 1.317 -10.342 -18.262 1.00 0.35 C ATOM 2157 CD2 LEU A 148 2.192 -9.645 -16.025 1.00 0.35 C ATOM 0 H LEU A 148 5.051 -11.151 -17.912 1.00 0.30 H new ATOM 0 HA LEU A 148 3.996 -11.520 -15.226 1.00 0.28 H new ATOM 0 HB2 LEU A 148 2.913 -12.462 -17.921 1.00 0.28 H new ATOM 0 HB3 LEU A 148 2.003 -12.329 -16.430 1.00 0.28 H new ATOM 0 HG LEU A 148 3.399 -9.974 -17.781 1.00 0.31 H new ATOM 0 HD11 LEU A 148 1.098 -9.298 -18.489 1.00 0.35 H new ATOM 0 HD12 LEU A 148 1.547 -10.873 -19.185 1.00 0.35 H new ATOM 0 HD13 LEU A 148 0.449 -10.799 -17.787 1.00 0.35 H new ATOM 0 HD21 LEU A 148 1.979 -8.605 -16.270 1.00 0.35 H new ATOM 0 HD22 LEU A 148 1.321 -10.091 -15.545 1.00 0.35 H new ATOM 0 HD23 LEU A 148 3.043 -9.690 -15.346 1.00 0.35 H new ATOM 2169 N ALA A 149 4.080 -14.027 -14.867 1.00 0.30 N ATOM 2170 CA ALA A 149 4.375 -15.458 -14.595 1.00 0.34 C ATOM 2171 C ALA A 149 3.203 -16.310 -15.081 1.00 0.30 C ATOM 2172 O ALA A 149 2.104 -15.825 -15.262 1.00 0.29 O ATOM 2173 CB ALA A 149 4.569 -15.659 -13.091 1.00 0.41 C ATOM 0 H ALA A 149 3.572 -13.541 -14.128 1.00 0.30 H new ATOM 0 HA ALA A 149 5.284 -15.755 -15.118 1.00 0.34 H new ATOM 0 HB1 ALA A 149 4.785 -16.708 -12.889 1.00 0.41 H new ATOM 0 HB2 ALA A 149 5.400 -15.044 -12.746 1.00 0.41 H new ATOM 0 HB3 ALA A 149 3.660 -15.368 -12.565 1.00 0.41 H new ATOM 2179 N GLN A 150 3.429 -17.573 -15.294 1.00 0.32 N ATOM 2180 CA GLN A 150 2.333 -18.456 -15.770 1.00 0.33 C ATOM 2181 C GLN A 150 1.205 -18.443 -14.739 1.00 0.31 C ATOM 2182 O GLN A 150 0.039 -18.412 -15.078 1.00 0.31 O ATOM 2183 CB GLN A 150 2.868 -19.879 -15.938 1.00 0.40 C ATOM 2184 CG GLN A 150 1.749 -20.791 -16.440 1.00 0.45 C ATOM 2185 CD GLN A 150 2.331 -22.151 -16.826 1.00 0.96 C ATOM 2186 OE1 GLN A 150 3.509 -22.391 -16.656 1.00 1.45 O ATOM 2187 NE2 GLN A 150 1.548 -23.056 -17.347 1.00 1.52 N ATOM 0 H GLN A 150 4.329 -18.034 -15.158 1.00 0.32 H new ATOM 0 HA GLN A 150 1.955 -18.101 -16.729 1.00 0.33 H new ATOM 0 HB2 GLN A 150 3.700 -19.885 -16.643 1.00 0.40 H new ATOM 0 HB3 GLN A 150 3.253 -20.248 -14.987 1.00 0.40 H new ATOM 0 HG2 GLN A 150 0.992 -20.915 -15.666 1.00 0.45 H new ATOM 0 HG3 GLN A 150 1.255 -20.338 -17.300 1.00 0.45 H new ATOM 0 HE21 GLN A 150 0.559 -22.853 -17.489 1.00 1.52 H new ATOM 0 HE22 GLN A 150 1.926 -23.966 -17.612 1.00 1.52 H new ATOM 2196 N ASP A 151 1.544 -18.455 -13.480 1.00 0.34 N ATOM 2197 CA ASP A 151 0.493 -18.432 -12.428 1.00 0.38 C ATOM 2198 C ASP A 151 -0.378 -17.188 -12.622 1.00 0.36 C ATOM 2199 O ASP A 151 -1.583 -17.235 -12.471 1.00 0.39 O ATOM 2200 CB ASP A 151 1.156 -18.388 -11.047 1.00 0.42 C ATOM 2201 CG ASP A 151 0.087 -18.367 -9.949 1.00 0.49 C ATOM 2202 OD1 ASP A 151 -1.036 -17.991 -10.242 1.00 1.20 O ATOM 2203 OD2 ASP A 151 0.414 -18.724 -8.829 1.00 1.19 O ATOM 0 H ASP A 151 2.504 -18.480 -13.135 1.00 0.34 H new ATOM 0 HA ASP A 151 -0.125 -19.327 -12.501 1.00 0.38 H new ATOM 0 HB2 ASP A 151 1.803 -19.255 -10.918 1.00 0.42 H new ATOM 0 HB3 ASP A 151 1.788 -17.504 -10.967 1.00 0.42 H new ATOM 2208 N ASP A 152 0.218 -16.074 -12.955 1.00 0.33 N ATOM 2209 CA ASP A 152 -0.588 -14.838 -13.155 1.00 0.35 C ATOM 2210 C ASP A 152 -1.350 -14.926 -14.478 1.00 0.34 C ATOM 2211 O ASP A 152 -2.495 -14.533 -14.568 1.00 0.37 O ATOM 2212 CB ASP A 152 0.339 -13.621 -13.182 1.00 0.37 C ATOM 2213 CG ASP A 152 0.904 -13.379 -11.781 1.00 0.41 C ATOM 2214 OD1 ASP A 152 0.307 -13.855 -10.831 1.00 1.11 O ATOM 2215 OD2 ASP A 152 1.925 -12.717 -11.683 1.00 1.10 O ATOM 0 H ASP A 152 1.223 -15.968 -13.096 1.00 0.33 H new ATOM 0 HA ASP A 152 -1.299 -14.737 -12.335 1.00 0.35 H new ATOM 0 HB2 ASP A 152 1.151 -13.785 -13.890 1.00 0.37 H new ATOM 0 HB3 ASP A 152 -0.208 -12.742 -13.522 1.00 0.37 H new ATOM 2220 N ILE A 153 -0.732 -15.440 -15.508 1.00 0.31 N ATOM 2221 CA ILE A 153 -1.446 -15.541 -16.811 1.00 0.33 C ATOM 2222 C ILE A 153 -2.612 -16.526 -16.672 1.00 0.35 C ATOM 2223 O ILE A 153 -3.733 -16.233 -17.030 1.00 0.38 O ATOM 2224 CB ILE A 153 -0.490 -16.022 -17.906 1.00 0.35 C ATOM 2225 CG1 ILE A 153 0.611 -14.974 -18.114 1.00 0.39 C ATOM 2226 CG2 ILE A 153 -1.288 -16.191 -19.201 1.00 0.37 C ATOM 2227 CD1 ILE A 153 1.721 -15.537 -19.013 1.00 0.94 C ATOM 0 H ILE A 153 0.226 -15.790 -15.503 1.00 0.31 H new ATOM 0 HA ILE A 153 -1.826 -14.558 -17.088 1.00 0.33 H new ATOM 0 HB ILE A 153 -0.033 -16.969 -17.621 1.00 0.35 H new ATOM 0 HG12 ILE A 153 0.188 -14.077 -18.566 1.00 0.39 H new ATOM 0 HG13 ILE A 153 1.028 -14.679 -17.151 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -0.625 -16.534 -19.995 1.00 0.37 H new ATOM 0 HG22 ILE A 153 -2.079 -16.925 -19.048 1.00 0.37 H new ATOM 0 HG23 ILE A 153 -1.729 -15.235 -19.484 1.00 0.37 H new ATOM 0 HD11 ILE A 153 2.495 -14.782 -19.152 1.00 0.94 H new ATOM 0 HD12 ILE A 153 2.155 -16.420 -18.545 1.00 0.94 H new ATOM 0 HD13 ILE A 153 1.302 -15.809 -19.982 1.00 0.94 H new ATOM 2239 N ASP A 154 -2.362 -17.689 -16.148 1.00 0.35 N ATOM 2240 CA ASP A 154 -3.462 -18.677 -15.981 1.00 0.39 C ATOM 2241 C ASP A 154 -4.546 -18.089 -15.073 1.00 0.39 C ATOM 2242 O ASP A 154 -5.724 -18.282 -15.294 1.00 0.43 O ATOM 2243 CB ASP A 154 -2.908 -19.966 -15.373 1.00 0.41 C ATOM 2244 CG ASP A 154 -2.094 -20.707 -16.435 1.00 0.43 C ATOM 2245 OD1 ASP A 154 -0.981 -20.286 -16.695 1.00 1.15 O ATOM 2246 OD2 ASP A 154 -2.604 -21.672 -16.979 1.00 1.18 O ATOM 0 H ASP A 154 -1.445 -18.000 -15.828 1.00 0.35 H new ATOM 0 HA ASP A 154 -3.898 -18.904 -16.954 1.00 0.39 H new ATOM 0 HB2 ASP A 154 -2.282 -19.737 -14.511 1.00 0.41 H new ATOM 0 HB3 ASP A 154 -3.724 -20.595 -15.017 1.00 0.41 H new ATOM 2251 N GLY A 155 -4.155 -17.390 -14.040 1.00 0.38 N ATOM 2252 CA GLY A 155 -5.160 -16.806 -13.102 1.00 0.41 C ATOM 2253 C GLY A 155 -6.034 -15.765 -13.814 1.00 0.37 C ATOM 2254 O GLY A 155 -7.243 -15.883 -13.847 1.00 0.39 O ATOM 0 H GLY A 155 -3.181 -17.198 -13.805 1.00 0.38 H new ATOM 0 HA2 GLY A 155 -5.789 -17.599 -12.697 1.00 0.41 H new ATOM 0 HA3 GLY A 155 -4.649 -16.342 -12.258 1.00 0.41 H new ATOM 2258 N ILE A 156 -5.444 -14.741 -14.371 1.00 0.35 N ATOM 2259 CA ILE A 156 -6.262 -13.698 -15.059 1.00 0.33 C ATOM 2260 C ILE A 156 -7.031 -14.332 -16.222 1.00 0.32 C ATOM 2261 O ILE A 156 -8.182 -14.020 -16.456 1.00 0.33 O ATOM 2262 CB ILE A 156 -5.350 -12.571 -15.569 1.00 0.34 C ATOM 2263 CG1 ILE A 156 -6.192 -11.381 -16.055 1.00 0.34 C ATOM 2264 CG2 ILE A 156 -4.495 -13.082 -16.729 1.00 0.34 C ATOM 2265 CD1 ILE A 156 -6.846 -10.654 -14.873 1.00 0.37 C ATOM 0 H ILE A 156 -4.437 -14.581 -14.380 1.00 0.35 H new ATOM 0 HA ILE A 156 -6.977 -13.274 -14.354 1.00 0.33 H new ATOM 0 HB ILE A 156 -4.708 -12.248 -14.750 1.00 0.34 H new ATOM 0 HG12 ILE A 156 -5.561 -10.687 -16.610 1.00 0.34 H new ATOM 0 HG13 ILE A 156 -6.962 -11.732 -16.742 1.00 0.34 H new ATOM 0 HG21 ILE A 156 -3.850 -12.279 -17.087 1.00 0.34 H new ATOM 0 HG22 ILE A 156 -3.881 -13.916 -16.389 1.00 0.34 H new ATOM 0 HG23 ILE A 156 -5.143 -13.415 -17.539 1.00 0.34 H new ATOM 0 HD11 ILE A 156 -7.436 -9.816 -15.243 1.00 0.37 H new ATOM 0 HD12 ILE A 156 -7.495 -11.345 -14.335 1.00 0.37 H new ATOM 0 HD13 ILE A 156 -6.072 -10.284 -14.200 1.00 0.37 H new ATOM 2277 N GLN A 157 -6.417 -15.226 -16.949 1.00 0.32 N ATOM 2278 CA GLN A 157 -7.136 -15.873 -18.083 1.00 0.34 C ATOM 2279 C GLN A 157 -8.291 -16.716 -17.543 1.00 0.37 C ATOM 2280 O GLN A 157 -9.366 -16.745 -18.109 1.00 0.39 O ATOM 2281 CB GLN A 157 -6.179 -16.774 -18.866 1.00 0.37 C ATOM 2282 CG GLN A 157 -5.174 -15.916 -19.634 1.00 0.38 C ATOM 2283 CD GLN A 157 -4.169 -16.830 -20.337 1.00 0.65 C ATOM 2284 OE1 GLN A 157 -3.924 -17.936 -19.897 1.00 1.36 O ATOM 2285 NE2 GLN A 157 -3.569 -16.411 -21.417 1.00 1.30 N ATOM 0 H GLN A 157 -5.455 -15.535 -16.808 1.00 0.32 H new ATOM 0 HA GLN A 157 -7.523 -15.098 -18.744 1.00 0.34 H new ATOM 0 HB2 GLN A 157 -5.654 -17.443 -18.184 1.00 0.37 H new ATOM 0 HB3 GLN A 157 -6.740 -17.401 -19.559 1.00 0.37 H new ATOM 0 HG2 GLN A 157 -5.691 -15.294 -20.364 1.00 0.38 H new ATOM 0 HG3 GLN A 157 -4.656 -15.242 -18.952 1.00 0.38 H new ATOM 0 HE21 GLN A 157 -3.774 -15.483 -21.787 1.00 1.30 H new ATOM 0 HE22 GLN A 157 -2.895 -17.012 -21.891 1.00 1.30 H new ATOM 2294 N ALA A 158 -8.085 -17.405 -16.454 1.00 0.39 N ATOM 2295 CA ALA A 158 -9.184 -18.237 -15.893 1.00 0.43 C ATOM 2296 C ALA A 158 -10.372 -17.337 -15.555 1.00 0.44 C ATOM 2297 O ALA A 158 -11.511 -17.673 -15.811 1.00 0.48 O ATOM 2298 CB ALA A 158 -8.705 -18.943 -14.623 1.00 0.47 C ATOM 0 H ALA A 158 -7.209 -17.427 -15.932 1.00 0.39 H new ATOM 0 HA ALA A 158 -9.483 -18.985 -16.628 1.00 0.43 H new ATOM 0 HB1 ALA A 158 -9.514 -19.550 -14.217 1.00 0.47 H new ATOM 0 HB2 ALA A 158 -7.855 -19.583 -14.861 1.00 0.47 H new ATOM 0 HB3 ALA A 158 -8.404 -18.200 -13.885 1.00 0.47 H new ATOM 2304 N ILE A 159 -10.116 -16.194 -14.976 1.00 0.42 N ATOM 2305 CA ILE A 159 -11.235 -15.278 -14.619 1.00 0.44 C ATOM 2306 C ILE A 159 -12.002 -14.871 -15.878 1.00 0.42 C ATOM 2307 O ILE A 159 -13.211 -14.973 -15.937 1.00 0.47 O ATOM 2308 CB ILE A 159 -10.670 -14.022 -13.956 1.00 0.44 C ATOM 2309 CG1 ILE A 159 -10.109 -14.393 -12.577 1.00 0.48 C ATOM 2310 CG2 ILE A 159 -11.796 -12.991 -13.805 1.00 0.47 C ATOM 2311 CD1 ILE A 159 -9.270 -13.240 -12.011 1.00 0.50 C ATOM 0 H ILE A 159 -9.184 -15.857 -14.736 1.00 0.42 H new ATOM 0 HA ILE A 159 -11.909 -15.793 -13.934 1.00 0.44 H new ATOM 0 HB ILE A 159 -9.872 -13.599 -14.566 1.00 0.44 H new ATOM 0 HG12 ILE A 159 -10.927 -14.624 -11.895 1.00 0.48 H new ATOM 0 HG13 ILE A 159 -9.497 -15.291 -12.656 1.00 0.48 H new ATOM 0 HG21 ILE A 159 -11.404 -12.090 -13.333 1.00 0.47 H new ATOM 0 HG22 ILE A 159 -12.195 -12.741 -14.788 1.00 0.47 H new ATOM 0 HG23 ILE A 159 -12.591 -13.408 -13.187 1.00 0.47 H new ATOM 0 HD11 ILE A 159 -8.880 -13.520 -11.033 1.00 0.50 H new ATOM 0 HD12 ILE A 159 -8.440 -13.028 -12.686 1.00 0.50 H new ATOM 0 HD13 ILE A 159 -9.893 -12.351 -11.912 1.00 0.50 H new ATOM 2323 N TYR A 160 -11.306 -14.410 -16.884 1.00 0.39 N ATOM 2324 CA TYR A 160 -11.991 -13.992 -18.142 1.00 0.41 C ATOM 2325 C TYR A 160 -11.887 -15.110 -19.179 1.00 0.43 C ATOM 2326 O TYR A 160 -12.867 -15.732 -19.538 1.00 0.49 O ATOM 2327 CB TYR A 160 -11.326 -12.726 -18.690 1.00 0.40 C ATOM 2328 CG TYR A 160 -11.635 -11.558 -17.784 1.00 0.41 C ATOM 2329 CD1 TYR A 160 -12.778 -10.781 -18.008 1.00 0.47 C ATOM 2330 CD2 TYR A 160 -10.782 -11.256 -16.715 1.00 0.41 C ATOM 2331 CE1 TYR A 160 -13.068 -9.701 -17.164 1.00 0.52 C ATOM 2332 CE2 TYR A 160 -11.073 -10.177 -15.870 1.00 0.47 C ATOM 2333 CZ TYR A 160 -12.215 -9.400 -16.095 1.00 0.51 C ATOM 2334 OH TYR A 160 -12.502 -8.337 -15.263 1.00 0.59 O ATOM 0 H TYR A 160 -10.291 -14.305 -16.888 1.00 0.39 H new ATOM 0 HA TYR A 160 -13.041 -13.790 -17.931 1.00 0.41 H new ATOM 0 HB2 TYR A 160 -10.248 -12.870 -18.759 1.00 0.40 H new ATOM 0 HB3 TYR A 160 -11.685 -12.522 -19.699 1.00 0.40 H new ATOM 0 HD1 TYR A 160 -13.436 -11.014 -18.832 1.00 0.47 H new ATOM 0 HD2 TYR A 160 -9.900 -11.855 -16.542 1.00 0.41 H new ATOM 0 HE1 TYR A 160 -13.949 -9.101 -17.338 1.00 0.52 H new ATOM 0 HE2 TYR A 160 -10.416 -9.945 -15.045 1.00 0.47 H new ATOM 0 HH TYR A 160 -13.457 -8.125 -15.320 1.00 0.59 H new ATOM 2344 N GLY A 161 -10.703 -15.368 -19.664 1.00 0.42 N ATOM 2345 CA GLY A 161 -10.531 -16.443 -20.680 1.00 0.46 C ATOM 2346 C GLY A 161 -9.197 -16.250 -21.404 1.00 0.45 C ATOM 2347 O GLY A 161 -8.379 -15.441 -21.012 1.00 0.44 O ATOM 0 H GLY A 161 -9.847 -14.880 -19.400 1.00 0.42 H new ATOM 0 HA2 GLY A 161 -10.558 -17.421 -20.199 1.00 0.46 H new ATOM 0 HA3 GLY A 161 -11.353 -16.417 -21.396 1.00 0.46 H new ATOM 2351 N ARG A 162 -8.968 -16.990 -22.454 1.00 0.50 N ATOM 2352 CA ARG A 162 -7.684 -16.850 -23.198 1.00 0.54 C ATOM 2353 C ARG A 162 -7.850 -15.839 -24.336 1.00 0.56 C ATOM 2354 O ARG A 162 -8.915 -15.696 -24.903 1.00 0.65 O ATOM 2355 CB ARG A 162 -7.279 -18.205 -23.779 1.00 0.65 C ATOM 2356 CG ARG A 162 -6.875 -19.144 -22.642 1.00 0.69 C ATOM 2357 CD ARG A 162 -6.418 -20.481 -23.224 1.00 0.86 C ATOM 2358 NE ARG A 162 -6.025 -21.394 -22.115 1.00 1.63 N ATOM 2359 CZ ARG A 162 -5.860 -22.667 -22.346 1.00 2.11 C ATOM 2360 NH1 ARG A 162 -6.034 -23.139 -23.549 1.00 2.19 N ATOM 2361 NH2 ARG A 162 -5.518 -23.468 -21.373 1.00 3.13 N ATOM 0 H ARG A 162 -9.614 -17.685 -22.829 1.00 0.50 H new ATOM 0 HA ARG A 162 -6.911 -16.499 -22.514 1.00 0.54 H new ATOM 0 HB2 ARG A 162 -8.108 -18.634 -24.343 1.00 0.65 H new ATOM 0 HB3 ARG A 162 -6.450 -18.081 -24.476 1.00 0.65 H new ATOM 0 HG2 ARG A 162 -6.073 -18.697 -22.055 1.00 0.69 H new ATOM 0 HG3 ARG A 162 -7.717 -19.298 -21.967 1.00 0.69 H new ATOM 0 HD2 ARG A 162 -7.220 -20.928 -23.811 1.00 0.86 H new ATOM 0 HD3 ARG A 162 -5.576 -20.328 -23.899 1.00 0.86 H new ATOM 0 HE ARG A 162 -5.885 -21.024 -21.175 1.00 1.63 H new ATOM 0 HH11 ARG A 162 -6.299 -22.513 -24.309 1.00 2.19 H new ATOM 0 HH12 ARG A 162 -5.905 -24.135 -23.730 1.00 2.19 H new ATOM 0 HH21 ARG A 162 -5.380 -23.098 -20.433 1.00 3.13 H new ATOM 0 HH22 ARG A 162 -5.389 -24.464 -21.553 1.00 3.13 H new ATOM 2375 N SER A 163 -6.801 -15.142 -24.678 1.00 0.55 N ATOM 2376 CA SER A 163 -6.892 -14.146 -25.782 1.00 0.62 C ATOM 2377 C SER A 163 -6.957 -14.878 -27.124 1.00 0.79 C ATOM 2378 O SER A 163 -5.949 -15.263 -27.681 1.00 0.90 O ATOM 2379 CB SER A 163 -5.660 -13.240 -25.755 1.00 0.60 C ATOM 2380 OG SER A 163 -5.555 -12.630 -24.476 1.00 0.52 O ATOM 0 H SER A 163 -5.883 -15.220 -24.239 1.00 0.55 H new ATOM 0 HA SER A 163 -7.790 -13.542 -25.653 1.00 0.62 H new ATOM 0 HB2 SER A 163 -4.763 -13.820 -25.969 1.00 0.60 H new ATOM 0 HB3 SER A 163 -5.738 -12.477 -26.529 1.00 0.60 H new ATOM 0 HG SER A 163 -5.415 -13.320 -23.795 1.00 0.52 H new TER 2386 SER A 163 HETATM 2387 ZN ZN A 170 0.486 -6.410 -2.973 1.00 0.37 ZN HETATM 2388 ZN ZN A 171 -2.320 6.618 -0.125 1.00 0.38 ZN HETATM 2389 CA CA A 172 7.935 3.630 2.345 1.00 0.46 CA HETATM 2390 N1 CGS A 173 3.498 -3.838 0.375 1.00 0.32 N HETATM 2391 CC CGS A 173 4.036 -5.122 0.924 1.00 0.36 C HETATM 2392 CA CGS A 173 2.102 -3.720 -0.136 1.00 0.36 C HETATM 2393 S4 CGS A 173 4.692 -2.864 -0.510 1.00 0.30 S HETATM 2394 C5 CGS A 173 4.274 -5.265 2.422 1.00 0.47 C HETATM 2395 CD CGS A 173 5.200 -4.460 3.082 1.00 0.63 C HETATM 2396 CE CGS A 173 5.397 -4.612 4.449 1.00 0.82 C HETATM 2397 CZ CGS A 173 4.657 -5.572 5.125 1.00 0.86 C HETATM 2398 N11 CGS A 173 3.767 -6.356 4.531 1.00 0.82 N HETATM 2399 CY CGS A 173 3.590 -6.195 3.209 1.00 0.66 C HETATM 2400 C17 CGS A 173 4.990 -3.562 -2.131 1.00 0.36 C HETATM 2401 CE2 CGS A 173 5.806 -4.672 -2.288 1.00 0.46 C HETATM 2402 CD2 CGS A 173 5.946 -5.271 -3.539 1.00 0.59 C HETATM 2403 C20 CGS A 173 5.272 -4.766 -4.656 1.00 0.61 C HETATM 2404 CD1 CGS A 173 4.463 -3.640 -4.477 1.00 0.51 C HETATM 2405 CE1 CGS A 173 4.331 -3.047 -3.229 1.00 0.38 C HETATM 2406 O27 CGS A 173 5.403 -5.368 -5.918 1.00 0.76 O HETATM 2407 COM CGS A 173 6.581 -5.058 -6.652 1.00 0.76 C HETATM 2408 O32 CGS A 173 5.861 -2.975 0.304 1.00 0.34 O HETATM 2409 O33 CGS A 173 4.027 -1.605 -0.636 1.00 0.30 O HETATM 2410 C34 CGS A 173 1.923 -4.640 -1.347 1.00 0.41 C HETATM 2411 N35 CGS A 173 1.732 -4.022 -2.499 1.00 0.44 N HETATM 2412 CB CGS A 173 0.876 -3.766 0.814 1.00 0.44 C HETATM 2413 CG2 CGS A 173 -0.122 -2.637 0.565 1.00 0.60 C HETATM 2414 CG1 CGS A 173 1.239 -3.728 2.293 1.00 0.47 C HETATM 2415 O47 CGS A 173 1.944 -5.873 -1.281 1.00 0.46 O HETATM 2416 O48 CGS A 173 1.557 -4.760 -3.649 1.00 0.54 O HETATM 0 HOM3 CGS A 173 6.627 -3.984 -6.830 1.00 0.76 H new HETATM 0 HOM2 CGS A 173 7.457 -5.369 -6.083 1.00 0.76 H new HETATM 0 HOM1 CGS A 173 6.564 -5.583 -7.607 1.00 0.76 H new HETATM 0 HG23 CGS A 173 0.371 -1.676 0.712 1.00 0.60 H new HETATM 0 HG22 CGS A 173 -0.496 -2.701 -0.457 1.00 0.60 H new HETATM 0 HG21 CGS A 173 -0.955 -2.727 1.262 1.00 0.60 H new HETATM 0 HG13 CGS A 173 1.867 -4.585 2.536 1.00 0.47 H new HETATM 0 HG12 CGS A 173 1.781 -2.808 2.511 1.00 0.47 H new HETATM 0 HG11 CGS A 173 0.329 -3.764 2.892 1.00 0.47 H new HETATM 0 HZ CGS A 173 4.815 -5.687 6.197 1.00 0.86 H new HETATM 0 HY CGS A 173 2.860 -6.836 2.715 1.00 0.66 H new HETATM 0 HE2 CGS A 173 6.341 -5.078 -1.429 1.00 0.46 H new HETATM 0 HE1 CGS A 173 3.700 -2.165 -3.115 1.00 0.38 H new HETATM 0 HE CGS A 173 6.118 -3.990 4.980 1.00 0.82 H new HETATM 0 HD2 CGS A 173 6.589 -6.144 -3.648 1.00 0.59 H new HETATM 0 HD1 CGS A 173 3.928 -3.222 -5.330 1.00 0.51 H new HETATM 0 HD CGS A 173 5.768 -3.713 2.528 1.00 0.63 H new HETATM 0 HC2 CGS A 173 3.350 -5.915 0.627 1.00 0.36 H new HETATM 0 HC1 CGS A 173 4.985 -5.317 0.424 1.00 0.36 H new HETATM 0 HB CGS A 173 0.422 -4.728 0.577 1.00 0.44 H new HETATM 0 HA CGS A 173 2.058 -2.659 -0.381 1.00 0.36 H new HETATM 0 H49 CGS A 173 1.714 -3.003 -2.537 1.00 0.44 H new CONECT 993 2388 CONECT 1111 2389 CONECT 1118 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 2411 CONECT 2387 2415 2416 CONECT 2388 993 1195 1353 CONECT 2389 1111 1118 1132 1146 CONECT 2389 1391 1431 CONECT 2390 2391 2392 2393 CONECT 2391 2390 2394 2417 2418 CONECT 2392 2390 2410 2412 2419 CONECT 2393 2390 2400 2408 2409 CONECT 2394 2391 2395 2399 CONECT 2395 2394 2396 2420 CONECT 2396 2395 2397 2421 CONECT 2397 2396 2398 2422 CONECT 2398 2397 2399 CONECT 2399 2394 2398 2423 CONECT 2400 2393 2401 2405 CONECT 2401 2400 2402 2424 CONECT 2402 2401 2403 2425 CONECT 2403 2402 2404 2406 CONECT 2404 2403 2405 2426 CONECT 2405 2400 2404 2427 CONECT 2406 2403 2407 CONECT 2407 2406 2428 2429 2430 CONECT 2408 2393 CONECT 2409 2393 CONECT 2410 2392 2411 2415 CONECT 2411 2387 2410 2416 2431 CONECT 2412 2392 2413 2414 2432 CONECT 2413 2412 2433 2434 2435 CONECT 2414 2412 2436 2437 2438 CONECT 2415 2387 2410 CONECT 2416 2387 2411 2439 CONECT 2417 2391 CONECT 2418 2391 CONECT 2419 2392 CONECT 2420 2395 CONECT 2421 2396 CONECT 2422 2397 CONECT 2423 2399 CONECT 2424 2401 CONECT 2425 2402 CONECT 2426 2404 CONECT 2427 2405 CONECT 2428 2407 CONECT 2429 2407 CONECT 2430 2407 CONECT 2431 2411 CONECT 2432 2412 CONECT 2433 2413 CONECT 2434 2413 CONECT 2435 2413 CONECT 2436 2414 CONECT 2437 2414 CONECT 2438 2414 CONECT 2439 2416 END