USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 06-OCT-99 1D4U TITLE INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR PROTEIN TITLE 2 XPA WITH RPA70 AND DNA: CHEMICAL SHIFT MAPPING AND 15N NMR TITLE 3 RELAXATION STUDIES COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEOTIDE EXCISION REPAIR PROTEIN XPA (XPA-MBD); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: XPA-MBD; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET11D KEYWDS DNA REPAIR, LOOP-RICH DOMAIN, NMR RELAXATION, DNA BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR AUTHOR G.W.BUCHKO,G.W.DAUGHDRILL,R.DE LORIMIER,S.RAO,N.G.ISERN, AUTHOR 2 J.LINGBECK,J.TAYLOR,M.S.WOLD,M.GOCHIN,L.D.SPICER,D.F.LOWRY, AUTHOR 3 M.A.KENNEDY REVDAT 4 24-FEB-09 1D4U 1 VERSN REVDAT 3 01-APR-03 1D4U 1 JRNL REVDAT 2 12-JAN-00 1D4U 1 JRNL REVDAT 1 17-OCT-99 1D4U 0 JRNL AUTH G.W.BUCHKO,G.W.DAUGHDRILL,R.DE LORIMIER,K.RAO B, JRNL AUTH 2 N.G.ISERN,J.M.LINGBECK,J.S.TAYLOR,M.S.WOLD, JRNL AUTH 3 M.GOCHIN,L.D.SPICER,D.F.LOWRY,M.A.KENNEDY JRNL TITL INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR JRNL TITL 2 PROTEIN XPA WITH DNA AND RPA70 DELTA C327: JRNL TITL 3 CHEMICAL SHIFT MAPPING AND 15N NMR RELAXATION JRNL TITL 4 STUDIES. JRNL REF BIOCHEMISTRY V. 38 15116 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10563794 JRNL DOI 10.1021/BI991755P REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER, A.T. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: PARAMAGNETIC PSEUDOCONTACT SHIFTS REMARK 3 WERE USED IN THE REFINEMENT. REMARK 4 REMARK 4 1D4U COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-99. REMARK 100 THE RCSB ID CODE IS RCSB009794. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.3 REMARK 210 IONIC STRENGTH : 150MM REMARK 210 PRESSURE : 1ATM. REMARK 210 SAMPLE CONTENTS : 50MM TRIS-HCL;PH7.3,150MM REMARK 210 KCL, 25MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, REMARK 210 HNCACB, HCCH-TOCSY, HCCH-TOCSY REMARK 210 -NNH, HNCO, CBCA(CO)NH REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA, UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: 3D NOESY AND TOCSY SPECTRA WERE COLLECTED ON THE CO2+ REMARK 210 SUBSTITUTED XPA-MBD. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 2 121.03 68.83 REMARK 500 ASP A 4 38.00 177.26 REMARK 500 GLU A 14 157.17 -44.53 REMARK 500 PHE A 15 -161.60 169.72 REMARK 500 MET A 16 -35.58 -158.00 REMARK 500 ASP A 17 134.15 -170.43 REMARK 500 SER A 18 -105.36 -139.90 REMARK 500 HIS A 23 42.52 -146.64 REMARK 500 PHE A 24 -33.06 -146.97 REMARK 500 ASP A 25 25.54 96.48 REMARK 500 PRO A 27 -83.50 -66.78 REMARK 500 THR A 28 -176.53 49.20 REMARK 500 ASP A 30 44.57 -83.86 REMARK 500 ASP A 31 -44.53 -132.63 REMARK 500 ARG A 33 -169.58 47.13 REMARK 500 ASP A 34 -33.38 -170.12 REMARK 500 ASP A 36 -16.54 75.54 REMARK 500 ASP A 37 -4.14 -142.97 REMARK 500 LYS A 38 -23.47 -173.70 REMARK 500 LYS A 40 119.97 -35.85 REMARK 500 LEU A 41 -176.09 -58.72 REMARK 500 LEU A 52 45.73 70.46 REMARK 500 LYS A 54 82.36 -164.95 REMARK 500 ASP A 55 169.32 76.71 REMARK 500 CYS A 56 -13.67 81.83 REMARK 500 GLU A 62 64.09 75.40 REMARK 500 PRO A 64 41.97 -80.40 REMARK 500 VAL A 69 101.94 -171.58 REMARK 500 LYS A 70 -177.24 172.60 REMARK 500 HIS A 75 172.55 -54.79 REMARK 500 SER A 76 115.01 58.61 REMARK 500 VAL A 96 -74.11 -86.68 REMARK 500 SER A 99 148.15 -174.23 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 33 0.32 SIDE_CHAIN REMARK 500 ARG A 61 0.18 SIDE_CHAIN REMARK 500 ARG A 92 0.28 SIDE_CHAIN REMARK 500 ARG A 110 0.26 SIDE_CHAIN 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 112 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 8 SG REMARK 620 2 CYS A 29 SG 114.1 REMARK 620 3 CYS A 32 SG 110.2 110.1 REMARK 620 4 CYS A 11 SG 111.3 111.7 98.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 112 DBREF 1D4U A 1 111 UNP P23025 XPA_HUMAN 40 150 SEQRES 1 A 111 MET GLU PHE ASP TYR VAL ILE CYS GLU GLU CYS GLY LYS SEQRES 2 A 111 GLU PHE MET ASP SER TYR LEU MET ASP HIS PHE ASP LEU SEQRES 3 A 111 PRO THR CYS ASP ASP CYS ARG ASP ALA ASP ASP LYS HIS SEQRES 4 A 111 LYS LEU ILE THR LYS THR GLU ALA LYS GLN GLU TYR LEU SEQRES 5 A 111 LEU LYS ASP CYS ASP LEU GLU LYS ARG GLU PRO PRO LEU SEQRES 6 A 111 LYS PHE ILE VAL LYS LYS ASN PRO HIS HIS SER GLN TRP SEQRES 7 A 111 GLY ASP MET LYS LEU TYR LEU LYS LEU GLN ILE VAL LYS SEQRES 8 A 111 ARG SER LEU GLU VAL TRP GLY SER GLN GLU ALA LEU GLU SEQRES 9 A 111 GLU ALA LYS GLU VAL ARG GLN HET ZN A 112 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ HELIX 1 1 LYS A 44 LYS A 48 1 5 HELIX 2 2 LEU A 85 TRP A 97 1 13 HELIX 3 3 SER A 99 ARG A 110 1 12 SHEET 1 A 2 VAL A 6 ILE A 7 0 SHEET 2 A 2 GLU A 14 PHE A 15 -1 O PHE A 15 N VAL A 6 SHEET 1 B 3 ILE A 42 THR A 43 0 SHEET 2 B 3 LYS A 82 TYR A 84 -1 O TYR A 84 N ILE A 42 SHEET 3 B 3 PHE A 67 VAL A 69 -1 O ILE A 68 N LEU A 83 LINK ZN ZN A 112 SG CYS A 8 1555 1555 2.29 LINK ZN ZN A 112 SG CYS A 29 1555 1555 2.30 LINK ZN ZN A 112 SG CYS A 32 1555 1555 2.40 LINK ZN ZN A 112 SG CYS A 11 1555 1555 2.36 SITE *** AC1 4 CYS A 8 CYS A 11 CYS A 29 CYS A 32 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= -1.99! C(o=-2!,f=-7!) USER MOD Set 1.2: A 81 MET CE :methyl -118:sc= 0 (180deg=-1.08) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.225 (180deg=0.0636) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -125:sc= 0.435 USER MOD Single : A 19 TYR OH : rot 30:sc= -1.52! USER MOD Single : A 21 MET CE :methyl -137:sc= -10.2! (180deg=-15!) USER MOD Single : A 23 HIS : no HD1:sc= -9.96! C(o=-10!,f=-11!) USER MOD Single : A 28 THR OG1 : rot -70:sc= -1.91 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.723 (180deg=-1.07) USER MOD Single : A 39 HIS : no HE2:sc= -19.6! C(o=-20!,f=-19!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc=-0.00281 (180deg=-0.398) USER MOD Single : A 49 GLN : amide:sc= -0.678! C(o=-0.68!,f=-2.2!) USER MOD Single : A 51 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= -0.0633 (180deg=-0.42) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -1.23 F(o=-2.2,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 76 SER OG : rot -108:sc= 0.58 USER MOD Single : A 77 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.13) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -117:sc= 1.62 USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= -0.042 (180deg=-0.267) USER MOD Single : A 88 GLN : amide:sc= -2.89 K(o=-2.9,f=-9.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 136:sc= -4.02! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.955 15.594 13.075 1.00 0.00 N ATOM 2 CA MET A 1 -13.224 15.440 13.842 1.00 0.00 C ATOM 3 C MET A 1 -13.847 14.078 13.528 1.00 0.00 C ATOM 4 O MET A 1 -14.683 13.954 12.655 1.00 0.00 O ATOM 5 CB MET A 1 -14.198 16.551 13.444 1.00 0.00 C ATOM 6 CG MET A 1 -13.959 17.780 14.322 1.00 0.00 C ATOM 7 SD MET A 1 -12.769 18.878 13.513 1.00 0.00 S ATOM 8 CE MET A 1 -13.789 20.373 13.535 1.00 0.00 C ATOM 0 H1 MET A 1 -11.753 16.605 12.937 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.174 15.154 13.603 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.051 15.130 12.149 1.00 0.00 H new ATOM 0 HA MET A 1 -13.014 15.506 14.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.062 16.809 12.394 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.226 16.205 13.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.898 18.306 14.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.583 17.475 15.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.240 21.195 13.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.709 20.194 12.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.033 20.632 14.565 1.00 0.00 H new ATOM 20 N GLU A 2 -13.447 13.055 14.233 1.00 0.00 N ATOM 21 CA GLU A 2 -14.017 11.703 13.974 1.00 0.00 C ATOM 22 C GLU A 2 -13.538 11.201 12.610 1.00 0.00 C ATOM 23 O GLU A 2 -13.774 11.821 11.593 1.00 0.00 O ATOM 24 CB GLU A 2 -15.545 11.784 13.980 1.00 0.00 C ATOM 25 CG GLU A 2 -16.106 10.778 14.987 1.00 0.00 C ATOM 26 CD GLU A 2 -17.556 11.137 15.313 1.00 0.00 C ATOM 27 OE1 GLU A 2 -17.758 12.029 16.120 1.00 0.00 O ATOM 28 OE2 GLU A 2 -18.441 10.513 14.750 1.00 0.00 O ATOM 0 H GLU A 2 -12.750 13.097 14.977 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.687 11.014 14.751 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.865 12.793 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.935 11.573 12.984 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.053 9.769 14.577 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.505 10.784 15.897 1.00 0.00 H new ATOM 35 N PHE A 3 -12.867 10.083 12.581 1.00 0.00 N ATOM 36 CA PHE A 3 -12.374 9.544 11.282 1.00 0.00 C ATOM 37 C PHE A 3 -12.806 8.097 11.127 1.00 0.00 C ATOM 38 O PHE A 3 -13.569 7.569 11.912 1.00 0.00 O ATOM 39 CB PHE A 3 -10.850 9.565 11.252 1.00 0.00 C ATOM 40 CG PHE A 3 -10.351 10.980 11.420 1.00 0.00 C ATOM 41 CD1 PHE A 3 -10.912 12.014 10.661 1.00 0.00 C ATOM 42 CD2 PHE A 3 -9.327 11.257 12.333 1.00 0.00 C ATOM 43 CE1 PHE A 3 -10.449 13.326 10.817 1.00 0.00 C ATOM 44 CE2 PHE A 3 -8.865 12.569 12.489 1.00 0.00 C ATOM 45 CZ PHE A 3 -9.425 13.604 11.731 1.00 0.00 C ATOM 0 H PHE A 3 -12.639 9.519 13.400 1.00 0.00 H new ATOM 0 HA PHE A 3 -12.784 10.160 10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.453 8.934 12.047 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.491 9.153 10.309 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.701 11.800 9.956 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.893 10.459 12.917 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.882 14.124 10.232 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.076 12.783 13.195 1.00 0.00 H new ATOM 0 HZ PHE A 3 -9.068 14.616 11.851 1.00 0.00 H new ATOM 55 N ASP A 4 -12.294 7.443 10.125 1.00 0.00 N ATOM 56 CA ASP A 4 -12.639 6.023 9.920 1.00 0.00 C ATOM 57 C ASP A 4 -11.968 5.523 8.656 1.00 0.00 C ATOM 58 O ASP A 4 -12.510 4.750 7.892 1.00 0.00 O ATOM 59 CB ASP A 4 -14.135 5.893 9.786 1.00 0.00 C ATOM 60 CG ASP A 4 -14.657 4.830 10.754 1.00 0.00 C ATOM 61 OD1 ASP A 4 -14.038 4.644 11.789 1.00 0.00 O ATOM 62 OD2 ASP A 4 -15.668 4.220 10.445 1.00 0.00 O ATOM 0 H ASP A 4 -11.650 7.837 9.440 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.297 5.431 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.612 6.851 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.395 5.623 8.762 1.00 0.00 H new ATOM 67 N TYR A 5 -10.789 5.977 8.454 1.00 0.00 N ATOM 68 CA TYR A 5 -10.008 5.574 7.252 1.00 0.00 C ATOM 69 C TYR A 5 -8.570 5.309 7.643 1.00 0.00 C ATOM 70 O TYR A 5 -8.196 5.385 8.796 1.00 0.00 O ATOM 71 CB TYR A 5 -10.058 6.687 6.205 1.00 0.00 C ATOM 72 CG TYR A 5 -11.292 6.521 5.351 1.00 0.00 C ATOM 73 CD1 TYR A 5 -12.499 7.112 5.742 1.00 0.00 C ATOM 74 CD2 TYR A 5 -11.228 5.777 4.166 1.00 0.00 C ATOM 75 CE1 TYR A 5 -13.643 6.959 4.949 1.00 0.00 C ATOM 76 CE2 TYR A 5 -12.372 5.625 3.373 1.00 0.00 C ATOM 77 CZ TYR A 5 -13.579 6.215 3.765 1.00 0.00 C ATOM 78 OH TYR A 5 -14.706 6.065 2.983 1.00 0.00 O ATOM 0 H TYR A 5 -10.309 6.626 9.077 1.00 0.00 H new ATOM 0 HA TYR A 5 -10.441 4.666 6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.070 7.661 6.695 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.164 6.655 5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.548 7.686 6.655 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.297 5.321 3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -14.574 7.415 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -12.323 5.052 2.459 1.00 0.00 H new ATOM 0 HH TYR A 5 -14.489 5.522 2.197 1.00 0.00 H new ATOM 88 N VAL A 6 -7.766 4.969 6.687 1.00 0.00 N ATOM 89 CA VAL A 6 -6.354 4.663 6.995 1.00 0.00 C ATOM 90 C VAL A 6 -5.507 4.764 5.730 1.00 0.00 C ATOM 91 O VAL A 6 -5.990 4.588 4.632 1.00 0.00 O ATOM 92 CB VAL A 6 -6.282 3.240 7.533 1.00 0.00 C ATOM 93 CG1 VAL A 6 -6.633 2.247 6.422 1.00 0.00 C ATOM 94 CG2 VAL A 6 -4.871 2.968 8.017 1.00 0.00 C ATOM 0 H VAL A 6 -8.026 4.890 5.704 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.974 5.373 7.730 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.989 3.125 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.580 1.231 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.643 2.445 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.927 2.357 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.809 1.951 8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.173 3.084 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.615 3.674 8.807 1.00 0.00 H new ATOM 104 N ILE A 7 -4.240 5.024 5.877 1.00 0.00 N ATOM 105 CA ILE A 7 -3.360 5.111 4.681 1.00 0.00 C ATOM 106 C ILE A 7 -2.333 3.991 4.755 1.00 0.00 C ATOM 107 O ILE A 7 -1.655 3.813 5.748 1.00 0.00 O ATOM 108 CB ILE A 7 -2.634 6.456 4.633 1.00 0.00 C ATOM 109 CG1 ILE A 7 -3.397 7.484 5.464 1.00 0.00 C ATOM 110 CG2 ILE A 7 -2.550 6.937 3.184 1.00 0.00 C ATOM 111 CD1 ILE A 7 -2.519 8.716 5.690 1.00 0.00 C ATOM 0 H ILE A 7 -3.776 5.180 6.772 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.970 5.018 3.783 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.629 6.337 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.317 7.769 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.686 7.050 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.033 7.896 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.002 6.206 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.556 7.052 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.066 9.449 6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.612 8.424 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.253 9.154 4.728 1.00 0.00 H new ATOM 123 N CYS A 8 -2.214 3.240 3.710 1.00 0.00 N ATOM 124 CA CYS A 8 -1.231 2.125 3.703 1.00 0.00 C ATOM 125 C CYS A 8 0.129 2.670 4.128 1.00 0.00 C ATOM 126 O CYS A 8 0.635 3.605 3.544 1.00 0.00 O ATOM 127 CB CYS A 8 -1.132 1.535 2.295 1.00 0.00 C ATOM 128 SG CYS A 8 0.113 0.221 2.281 1.00 0.00 S ATOM 0 H CYS A 8 -2.756 3.346 2.852 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.550 1.344 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.099 1.138 1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.864 2.313 1.581 1.00 0.00 H new ATOM 133 N GLU A 9 0.719 2.103 5.143 1.00 0.00 N ATOM 134 CA GLU A 9 2.045 2.599 5.608 1.00 0.00 C ATOM 135 C GLU A 9 3.140 2.082 4.673 1.00 0.00 C ATOM 136 O GLU A 9 4.244 2.590 4.653 1.00 0.00 O ATOM 137 CB GLU A 9 2.308 2.096 7.029 1.00 0.00 C ATOM 138 CG GLU A 9 1.013 2.164 7.842 1.00 0.00 C ATOM 139 CD GLU A 9 1.319 1.884 9.315 1.00 0.00 C ATOM 140 OE1 GLU A 9 1.582 0.737 9.637 1.00 0.00 O ATOM 141 OE2 GLU A 9 1.284 2.821 10.095 1.00 0.00 O ATOM 0 H GLU A 9 0.340 1.317 5.671 1.00 0.00 H new ATOM 0 HA GLU A 9 2.047 3.689 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.679 1.071 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.080 2.702 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.556 3.148 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.295 1.436 7.464 1.00 0.00 H new ATOM 148 N GLU A 10 2.845 1.074 3.901 1.00 0.00 N ATOM 149 CA GLU A 10 3.863 0.522 2.971 1.00 0.00 C ATOM 150 C GLU A 10 4.188 1.553 1.888 1.00 0.00 C ATOM 151 O GLU A 10 5.326 1.942 1.711 1.00 0.00 O ATOM 152 CB GLU A 10 3.307 -0.744 2.322 1.00 0.00 C ATOM 153 CG GLU A 10 2.795 -1.693 3.408 1.00 0.00 C ATOM 154 CD GLU A 10 3.940 -2.590 3.884 1.00 0.00 C ATOM 155 OE1 GLU A 10 4.281 -3.514 3.164 1.00 0.00 O ATOM 156 OE2 GLU A 10 4.456 -2.337 4.960 1.00 0.00 O ATOM 0 H GLU A 10 1.938 0.608 3.876 1.00 0.00 H new ATOM 0 HA GLU A 10 4.774 0.286 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.499 -0.489 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.082 -1.234 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.394 -1.122 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.980 -2.302 3.018 1.00 0.00 H new ATOM 163 N CYS A 11 3.201 1.994 1.156 1.00 0.00 N ATOM 164 CA CYS A 11 3.460 2.991 0.081 1.00 0.00 C ATOM 165 C CYS A 11 2.631 4.253 0.333 1.00 0.00 C ATOM 166 O CYS A 11 2.865 5.287 -0.260 1.00 0.00 O ATOM 167 CB CYS A 11 3.062 2.388 -1.267 1.00 0.00 C ATOM 168 SG CYS A 11 1.540 1.424 -1.076 1.00 0.00 S ATOM 0 H CYS A 11 2.228 1.707 1.257 1.00 0.00 H new ATOM 0 HA CYS A 11 4.519 3.251 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.913 3.180 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.863 1.751 -1.643 1.00 0.00 H new ATOM 173 N GLY A 12 1.659 4.177 1.199 1.00 0.00 N ATOM 174 CA GLY A 12 0.811 5.374 1.473 1.00 0.00 C ATOM 175 C GLY A 12 -0.426 5.316 0.580 1.00 0.00 C ATOM 176 O GLY A 12 -0.436 5.844 -0.514 1.00 0.00 O ATOM 0 H GLY A 12 1.414 3.340 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.518 5.397 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.374 6.287 1.279 1.00 0.00 H new ATOM 180 N LYS A 13 -1.467 4.668 1.025 1.00 0.00 N ATOM 181 CA LYS A 13 -2.690 4.575 0.172 1.00 0.00 C ATOM 182 C LYS A 13 -3.954 4.603 1.036 1.00 0.00 C ATOM 183 O LYS A 13 -4.352 3.606 1.604 1.00 0.00 O ATOM 184 CB LYS A 13 -2.651 3.269 -0.623 1.00 0.00 C ATOM 185 CG LYS A 13 -3.566 3.387 -1.844 1.00 0.00 C ATOM 186 CD LYS A 13 -2.723 3.352 -3.120 1.00 0.00 C ATOM 187 CE LYS A 13 -3.615 3.004 -4.313 1.00 0.00 C ATOM 188 NZ LYS A 13 -3.294 3.908 -5.453 1.00 0.00 N ATOM 0 H LYS A 13 -1.527 4.203 1.931 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.711 5.428 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.630 3.054 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.971 2.438 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.288 2.571 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.135 4.316 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.246 4.319 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.926 2.615 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.462 1.965 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.665 3.106 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.900 3.672 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.462 4.895 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.296 3.789 -5.720 1.00 0.00 H new ATOM 202 N GLU A 14 -4.598 5.735 1.125 1.00 0.00 N ATOM 203 CA GLU A 14 -5.843 5.820 1.940 1.00 0.00 C ATOM 204 C GLU A 14 -6.723 4.602 1.644 1.00 0.00 C ATOM 205 O GLU A 14 -6.607 3.980 0.607 1.00 0.00 O ATOM 206 CB GLU A 14 -6.604 7.098 1.580 1.00 0.00 C ATOM 207 CG GLU A 14 -6.423 8.124 2.669 1.00 0.00 C ATOM 208 CD GLU A 14 -5.100 8.864 2.468 1.00 0.00 C ATOM 209 OE1 GLU A 14 -4.680 8.987 1.329 1.00 0.00 O ATOM 210 OE2 GLU A 14 -4.529 9.296 3.456 1.00 0.00 O ATOM 0 H GLU A 14 -4.316 6.603 0.669 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.586 5.839 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.241 7.493 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.663 6.877 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.252 8.832 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.434 7.638 3.645 1.00 0.00 H new ATOM 217 N PHE A 15 -7.598 4.255 2.547 1.00 0.00 N ATOM 218 CA PHE A 15 -8.478 3.075 2.317 1.00 0.00 C ATOM 219 C PHE A 15 -9.218 2.734 3.612 1.00 0.00 C ATOM 220 O PHE A 15 -9.318 3.544 4.512 1.00 0.00 O ATOM 221 CB PHE A 15 -7.623 1.882 1.884 1.00 0.00 C ATOM 222 CG PHE A 15 -7.917 1.549 0.441 1.00 0.00 C ATOM 223 CD1 PHE A 15 -9.229 1.270 0.040 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.878 1.520 -0.497 1.00 0.00 C ATOM 225 CE1 PHE A 15 -9.503 0.962 -1.297 1.00 0.00 C ATOM 226 CE2 PHE A 15 -7.151 1.211 -1.835 1.00 0.00 C ATOM 227 CZ PHE A 15 -8.464 0.933 -2.235 1.00 0.00 C ATOM 0 H PHE A 15 -7.742 4.737 3.434 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.203 3.304 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.565 2.116 2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.834 1.021 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.031 1.293 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.866 1.736 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.515 0.747 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.349 1.187 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.675 0.696 -3.267 1.00 0.00 H new ATOM 237 N MET A 16 -9.739 1.541 3.716 1.00 0.00 N ATOM 238 CA MET A 16 -10.471 1.157 4.957 1.00 0.00 C ATOM 239 C MET A 16 -10.505 -0.370 5.091 1.00 0.00 C ATOM 240 O MET A 16 -10.439 -0.904 6.180 1.00 0.00 O ATOM 241 CB MET A 16 -11.902 1.695 4.891 1.00 0.00 C ATOM 242 CG MET A 16 -12.651 1.312 6.169 1.00 0.00 C ATOM 243 SD MET A 16 -14.433 1.325 5.850 1.00 0.00 S ATOM 244 CE MET A 16 -14.913 0.212 7.193 1.00 0.00 C ATOM 0 H MET A 16 -9.690 0.818 2.998 1.00 0.00 H new ATOM 0 HA MET A 16 -9.960 1.581 5.821 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.889 2.779 4.775 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.415 1.287 4.020 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.338 0.323 6.504 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.409 2.012 6.969 1.00 0.00 H new ATOM 0 HE1 MET A 16 -15.994 0.076 7.184 1.00 0.00 H new ATOM 0 HE2 MET A 16 -14.425 -0.753 7.058 1.00 0.00 H new ATOM 0 HE3 MET A 16 -14.610 0.642 8.148 1.00 0.00 H new ATOM 254 N ASP A 17 -10.612 -1.076 3.996 1.00 0.00 N ATOM 255 CA ASP A 17 -10.653 -2.566 4.066 1.00 0.00 C ATOM 256 C ASP A 17 -10.540 -3.142 2.655 1.00 0.00 C ATOM 257 O ASP A 17 -11.199 -2.690 1.739 1.00 0.00 O ATOM 258 CB ASP A 17 -11.974 -3.013 4.696 1.00 0.00 C ATOM 259 CG ASP A 17 -13.125 -2.712 3.735 1.00 0.00 C ATOM 260 OD1 ASP A 17 -13.262 -1.564 3.347 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.850 -3.636 3.403 1.00 0.00 O ATOM 0 H ASP A 17 -10.673 -0.685 3.056 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.823 -2.925 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.941 -4.080 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.131 -2.495 5.642 1.00 0.00 H new ATOM 266 N SER A 18 -9.714 -4.137 2.463 1.00 0.00 N ATOM 267 CA SER A 18 -9.585 -4.722 1.092 1.00 0.00 C ATOM 268 C SER A 18 -9.476 -6.248 1.189 1.00 0.00 C ATOM 269 O SER A 18 -10.446 -6.927 1.457 1.00 0.00 O ATOM 270 CB SER A 18 -8.348 -4.142 0.398 1.00 0.00 C ATOM 271 OG SER A 18 -8.696 -2.914 -0.229 1.00 0.00 O ATOM 0 H SER A 18 -9.131 -4.565 3.182 1.00 0.00 H new ATOM 0 HA SER A 18 -10.468 -4.470 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.551 -3.980 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.967 -4.847 -0.341 1.00 0.00 H new ATOM 0 HG SER A 18 -8.453 -2.951 -1.178 1.00 0.00 H new ATOM 277 N TYR A 19 -8.308 -6.799 0.993 1.00 0.00 N ATOM 278 CA TYR A 19 -8.159 -8.273 1.101 1.00 0.00 C ATOM 279 C TYR A 19 -7.408 -8.555 2.392 1.00 0.00 C ATOM 280 O TYR A 19 -7.545 -9.599 2.999 1.00 0.00 O ATOM 281 CB TYR A 19 -7.364 -8.813 -0.089 1.00 0.00 C ATOM 282 CG TYR A 19 -7.287 -10.319 0.002 1.00 0.00 C ATOM 283 CD1 TYR A 19 -8.278 -11.108 -0.593 1.00 0.00 C ATOM 284 CD2 TYR A 19 -6.223 -10.926 0.681 1.00 0.00 C ATOM 285 CE1 TYR A 19 -8.206 -12.504 -0.509 1.00 0.00 C ATOM 286 CE2 TYR A 19 -6.152 -12.321 0.765 1.00 0.00 C ATOM 287 CZ TYR A 19 -7.143 -13.110 0.169 1.00 0.00 C ATOM 288 OH TYR A 19 -7.072 -14.486 0.251 1.00 0.00 O ATOM 0 H TYR A 19 -7.454 -6.291 0.763 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.135 -8.758 1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.841 -8.518 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.361 -8.386 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.098 -10.640 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.458 -10.318 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.971 -13.113 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.332 -12.789 1.290 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.490 -14.883 -0.541 1.00 0.00 H new ATOM 298 N LEU A 20 -6.628 -7.605 2.822 1.00 0.00 N ATOM 299 CA LEU A 20 -5.874 -7.773 4.083 1.00 0.00 C ATOM 300 C LEU A 20 -6.507 -6.870 5.143 1.00 0.00 C ATOM 301 O LEU A 20 -6.524 -7.181 6.316 1.00 0.00 O ATOM 302 CB LEU A 20 -4.413 -7.372 3.869 1.00 0.00 C ATOM 303 CG LEU A 20 -3.980 -7.758 2.454 1.00 0.00 C ATOM 304 CD1 LEU A 20 -4.352 -6.638 1.481 1.00 0.00 C ATOM 305 CD2 LEU A 20 -2.466 -7.972 2.426 1.00 0.00 C ATOM 0 H LEU A 20 -6.483 -6.714 2.347 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.908 -8.814 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.294 -6.299 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.778 -7.867 4.603 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.485 -8.678 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.043 -6.914 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.431 -6.483 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.848 -5.718 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.156 -8.247 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.963 -7.051 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.198 -8.770 3.118 1.00 0.00 H new ATOM 317 N MET A 21 -7.034 -5.749 4.726 1.00 0.00 N ATOM 318 CA MET A 21 -7.678 -4.808 5.688 1.00 0.00 C ATOM 319 C MET A 21 -9.165 -5.122 5.792 1.00 0.00 C ATOM 320 O MET A 21 -9.929 -4.397 6.395 1.00 0.00 O ATOM 321 CB MET A 21 -7.503 -3.380 5.180 1.00 0.00 C ATOM 322 CG MET A 21 -8.045 -2.413 6.229 1.00 0.00 C ATOM 323 SD MET A 21 -7.613 -0.712 5.792 1.00 0.00 S ATOM 324 CE MET A 21 -8.195 0.056 7.324 1.00 0.00 C ATOM 0 H MET A 21 -7.046 -5.443 3.753 1.00 0.00 H new ATOM 0 HA MET A 21 -7.215 -4.915 6.669 1.00 0.00 H new ATOM 0 HB2 MET A 21 -6.450 -3.175 4.986 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.032 -3.248 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 21 -9.128 -2.514 6.302 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.635 -2.660 7.208 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.737 0.972 7.089 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.858 -0.633 7.848 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.342 0.292 7.960 1.00 0.00 H new ATOM 334 N ASP A 22 -9.580 -6.190 5.196 1.00 0.00 N ATOM 335 CA ASP A 22 -11.013 -6.553 5.236 1.00 0.00 C ATOM 336 C ASP A 22 -11.182 -7.824 6.050 1.00 0.00 C ATOM 337 O ASP A 22 -12.166 -8.018 6.737 1.00 0.00 O ATOM 338 CB ASP A 22 -11.459 -6.804 3.809 1.00 0.00 C ATOM 339 CG ASP A 22 -12.980 -6.953 3.754 1.00 0.00 C ATOM 340 OD1 ASP A 22 -13.590 -6.989 4.810 1.00 0.00 O ATOM 341 OD2 ASP A 22 -13.510 -7.027 2.658 1.00 0.00 O ATOM 0 H ASP A 22 -8.984 -6.835 4.677 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.605 -5.758 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.143 -5.979 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.983 -7.706 3.424 1.00 0.00 H new ATOM 346 N HIS A 23 -10.224 -8.694 5.969 1.00 0.00 N ATOM 347 CA HIS A 23 -10.320 -9.971 6.734 1.00 0.00 C ATOM 348 C HIS A 23 -8.930 -10.425 7.183 1.00 0.00 C ATOM 349 O HIS A 23 -8.598 -11.589 7.101 1.00 0.00 O ATOM 350 CB HIS A 23 -10.938 -11.053 5.846 1.00 0.00 C ATOM 351 CG HIS A 23 -11.966 -10.437 4.937 1.00 0.00 C ATOM 352 ND1 HIS A 23 -13.217 -10.048 5.392 1.00 0.00 N ATOM 353 CD2 HIS A 23 -11.946 -10.139 3.597 1.00 0.00 C ATOM 354 CE1 HIS A 23 -13.891 -9.544 4.343 1.00 0.00 C ATOM 355 NE2 HIS A 23 -13.162 -9.575 3.224 1.00 0.00 N ATOM 0 H HIS A 23 -9.378 -8.582 5.410 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.945 -9.809 7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.162 -11.540 5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.400 -11.824 6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.113 -10.316 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.899 -9.161 4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -13.438 -9.254 2.296 1.00 0.00 H new ATOM 363 N PHE A 24 -8.112 -9.524 7.652 1.00 0.00 N ATOM 364 CA PHE A 24 -6.746 -9.934 8.093 1.00 0.00 C ATOM 365 C PHE A 24 -6.272 -9.074 9.272 1.00 0.00 C ATOM 366 O PHE A 24 -5.530 -9.538 10.114 1.00 0.00 O ATOM 367 CB PHE A 24 -5.777 -9.762 6.927 1.00 0.00 C ATOM 368 CG PHE A 24 -5.315 -11.115 6.443 1.00 0.00 C ATOM 369 CD1 PHE A 24 -4.363 -11.835 7.174 1.00 0.00 C ATOM 370 CD2 PHE A 24 -5.840 -11.648 5.260 1.00 0.00 C ATOM 371 CE1 PHE A 24 -3.937 -13.090 6.722 1.00 0.00 C ATOM 372 CE2 PHE A 24 -5.414 -12.903 4.808 1.00 0.00 C ATOM 373 CZ PHE A 24 -4.462 -13.623 5.539 1.00 0.00 C ATOM 0 H PHE A 24 -8.325 -8.531 7.749 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.778 -10.975 8.413 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.263 -9.221 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.920 -9.165 7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.957 -11.423 8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.574 -11.091 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.203 -13.647 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.820 -13.315 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.132 -14.590 5.190 1.00 0.00 H new ATOM 383 N ASP A 25 -6.670 -7.825 9.307 1.00 0.00 N ATOM 384 CA ASP A 25 -6.238 -6.890 10.397 1.00 0.00 C ATOM 385 C ASP A 25 -5.045 -6.093 9.878 1.00 0.00 C ATOM 386 O ASP A 25 -4.215 -5.614 10.624 1.00 0.00 O ATOM 387 CB ASP A 25 -5.842 -7.656 11.663 1.00 0.00 C ATOM 388 CG ASP A 25 -5.969 -6.736 12.878 1.00 0.00 C ATOM 389 OD1 ASP A 25 -5.420 -5.647 12.832 1.00 0.00 O ATOM 390 OD2 ASP A 25 -6.613 -7.135 13.834 1.00 0.00 O ATOM 0 H ASP A 25 -7.288 -7.405 8.613 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.064 -6.230 10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.482 -8.530 11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.818 -8.020 11.575 1.00 0.00 H new ATOM 395 N LEU A 26 -4.974 -5.961 8.586 1.00 0.00 N ATOM 396 CA LEU A 26 -3.862 -5.212 7.940 1.00 0.00 C ATOM 397 C LEU A 26 -4.425 -4.413 6.839 1.00 0.00 C ATOM 398 O LEU A 26 -5.217 -4.853 6.045 1.00 0.00 O ATOM 399 CB LEU A 26 -2.792 -6.183 7.442 1.00 0.00 C ATOM 400 CG LEU A 26 -1.648 -5.416 6.775 1.00 0.00 C ATOM 401 CD1 LEU A 26 -0.558 -5.123 7.809 1.00 0.00 C ATOM 402 CD2 LEU A 26 -1.057 -6.265 5.648 1.00 0.00 C ATOM 0 H LEU A 26 -5.656 -6.350 7.935 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.381 -4.545 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.408 -6.770 8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.230 -6.885 6.733 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.028 -4.479 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.257 -4.577 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.975 -4.522 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.178 -6.061 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.242 -5.721 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.677 -7.201 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.830 -6.479 4.910 1.00 0.00 H new ATOM 414 N PRO A 27 -4.018 -3.208 6.913 1.00 0.00 N ATOM 415 CA PRO A 27 -4.478 -2.181 6.034 1.00 0.00 C ATOM 416 C PRO A 27 -4.017 -2.427 4.597 1.00 0.00 C ATOM 417 O PRO A 27 -4.745 -2.972 3.791 1.00 0.00 O ATOM 418 CB PRO A 27 -3.855 -0.960 6.672 1.00 0.00 C ATOM 419 CG PRO A 27 -2.659 -1.384 7.484 1.00 0.00 C ATOM 420 CD PRO A 27 -2.984 -2.766 7.898 1.00 0.00 C ATOM 0 HA PRO A 27 -5.561 -2.105 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.555 -0.247 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.582 -0.456 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.743 -1.348 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.510 -0.733 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.104 -3.409 7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.366 -2.797 8.918 1.00 0.00 H new ATOM 428 N THR A 28 -2.828 -2.037 4.265 1.00 0.00 N ATOM 429 CA THR A 28 -2.342 -2.257 2.873 1.00 0.00 C ATOM 430 C THR A 28 -3.408 -1.761 1.894 1.00 0.00 C ATOM 431 O THR A 28 -4.425 -1.226 2.289 1.00 0.00 O ATOM 432 CB THR A 28 -2.098 -3.755 2.648 1.00 0.00 C ATOM 433 OG1 THR A 28 -1.535 -4.324 3.821 1.00 0.00 O ATOM 434 CG2 THR A 28 -1.137 -3.956 1.473 1.00 0.00 C ATOM 0 H THR A 28 -2.168 -1.576 4.891 1.00 0.00 H new ATOM 0 HA THR A 28 -1.411 -1.713 2.714 1.00 0.00 H new ATOM 0 HB THR A 28 -3.047 -4.242 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.617 -4.000 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.968 -5.022 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.570 -3.523 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.188 -3.466 1.691 1.00 0.00 H new ATOM 442 N CYS A 29 -3.191 -1.934 0.621 1.00 0.00 N ATOM 443 CA CYS A 29 -4.199 -1.474 -0.373 1.00 0.00 C ATOM 444 C CYS A 29 -4.125 -2.364 -1.613 1.00 0.00 C ATOM 445 O CYS A 29 -3.397 -3.337 -1.646 1.00 0.00 O ATOM 446 CB CYS A 29 -3.906 -0.023 -0.766 1.00 0.00 C ATOM 447 SG CYS A 29 -2.116 0.232 -0.860 1.00 0.00 S ATOM 0 H CYS A 29 -2.360 -2.374 0.226 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.196 -1.535 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.367 0.204 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.342 0.658 -0.035 1.00 0.00 H new ATOM 452 N ASP A 30 -4.872 -2.042 -2.632 1.00 0.00 N ATOM 453 CA ASP A 30 -4.843 -2.866 -3.869 1.00 0.00 C ATOM 454 C ASP A 30 -3.669 -2.427 -4.749 1.00 0.00 C ATOM 455 O ASP A 30 -3.803 -2.273 -5.947 1.00 0.00 O ATOM 456 CB ASP A 30 -6.151 -2.666 -4.633 1.00 0.00 C ATOM 457 CG ASP A 30 -7.278 -3.418 -3.923 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.409 -4.608 -4.158 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.992 -2.791 -3.158 1.00 0.00 O ATOM 0 H ASP A 30 -5.503 -1.241 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.725 -3.917 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.390 -1.604 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.046 -3.028 -5.656 1.00 0.00 H new ATOM 464 N ASP A 31 -2.519 -2.225 -4.166 1.00 0.00 N ATOM 465 CA ASP A 31 -1.339 -1.800 -4.967 1.00 0.00 C ATOM 466 C ASP A 31 -0.137 -2.664 -4.582 1.00 0.00 C ATOM 467 O ASP A 31 0.593 -3.142 -5.428 1.00 0.00 O ATOM 468 CB ASP A 31 -1.028 -0.330 -4.676 1.00 0.00 C ATOM 469 CG ASP A 31 0.196 0.103 -5.486 1.00 0.00 C ATOM 470 OD1 ASP A 31 1.193 -0.597 -5.435 1.00 0.00 O ATOM 471 OD2 ASP A 31 0.114 1.128 -6.143 1.00 0.00 O ATOM 0 H ASP A 31 -2.347 -2.337 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.552 -1.919 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.886 0.292 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.841 -0.191 -3.611 1.00 0.00 H new ATOM 476 N CYS A 32 0.066 -2.879 -3.310 1.00 0.00 N ATOM 477 CA CYS A 32 1.210 -3.721 -2.869 1.00 0.00 C ATOM 478 C CYS A 32 1.015 -5.136 -3.414 1.00 0.00 C ATOM 479 O CYS A 32 1.922 -5.742 -3.950 1.00 0.00 O ATOM 480 CB CYS A 32 1.253 -3.760 -1.340 1.00 0.00 C ATOM 481 SG CYS A 32 0.941 -2.103 -0.676 1.00 0.00 S ATOM 0 H CYS A 32 -0.513 -2.506 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 32 2.146 -3.306 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.506 -4.459 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.225 -4.120 -1.003 1.00 0.00 H new ATOM 486 N ARG A 33 -0.172 -5.655 -3.287 1.00 0.00 N ATOM 487 CA ARG A 33 -0.460 -7.023 -3.802 1.00 0.00 C ATOM 488 C ARG A 33 0.638 -7.997 -3.367 1.00 0.00 C ATOM 489 O ARG A 33 1.478 -7.678 -2.549 1.00 0.00 O ATOM 490 CB ARG A 33 -0.528 -6.981 -5.331 1.00 0.00 C ATOM 491 CG ARG A 33 -1.495 -5.880 -5.772 1.00 0.00 C ATOM 492 CD ARG A 33 -1.025 -5.291 -7.103 1.00 0.00 C ATOM 493 NE ARG A 33 -2.158 -5.282 -8.071 1.00 0.00 N ATOM 494 CZ ARG A 33 -1.934 -5.047 -9.335 1.00 0.00 C ATOM 495 NH1 ARG A 33 -1.963 -3.822 -9.785 1.00 0.00 N ATOM 496 NH2 ARG A 33 -1.681 -6.035 -10.148 1.00 0.00 N ATOM 0 H ARG A 33 -0.963 -5.187 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.413 -7.363 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.463 -6.795 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.859 -7.945 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.501 -6.286 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.544 -5.099 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.653 -4.277 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.198 -5.879 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.108 -5.459 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.161 -3.050 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.788 -3.637 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.658 -6.992 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.506 -5.851 -11.136 1.00 0.00 H new ATOM 510 N ASP A 34 0.636 -9.185 -3.914 1.00 0.00 N ATOM 511 CA ASP A 34 1.677 -10.183 -3.539 1.00 0.00 C ATOM 512 C ASP A 34 1.611 -11.387 -4.480 1.00 0.00 C ATOM 513 O ASP A 34 2.620 -11.984 -4.800 1.00 0.00 O ATOM 514 CB ASP A 34 1.454 -10.652 -2.100 1.00 0.00 C ATOM 515 CG ASP A 34 2.691 -11.410 -1.616 1.00 0.00 C ATOM 516 OD1 ASP A 34 3.751 -10.808 -1.571 1.00 0.00 O ATOM 517 OD2 ASP A 34 2.558 -12.581 -1.298 1.00 0.00 O ATOM 0 H ASP A 34 -0.043 -9.506 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 34 2.658 -9.714 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.262 -9.796 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.576 -11.295 -2.047 1.00 0.00 H new ATOM 522 N ALA A 35 0.444 -11.748 -4.944 1.00 0.00 N ATOM 523 CA ALA A 35 0.362 -12.908 -5.878 1.00 0.00 C ATOM 524 C ALA A 35 0.301 -12.380 -7.309 1.00 0.00 C ATOM 525 O ALA A 35 0.114 -13.121 -8.254 1.00 0.00 O ATOM 526 CB ALA A 35 -0.875 -13.758 -5.583 1.00 0.00 C ATOM 0 H ALA A 35 -0.444 -11.298 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 35 1.242 -13.538 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.913 -14.598 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.823 -14.134 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.771 -13.149 -5.701 1.00 0.00 H new ATOM 532 N ASP A 36 0.462 -11.091 -7.467 1.00 0.00 N ATOM 533 CA ASP A 36 0.426 -10.468 -8.809 1.00 0.00 C ATOM 534 C ASP A 36 -1.014 -10.378 -9.318 1.00 0.00 C ATOM 535 O ASP A 36 -1.307 -9.669 -10.261 1.00 0.00 O ATOM 536 CB ASP A 36 1.225 -11.344 -9.740 1.00 0.00 C ATOM 537 CG ASP A 36 2.029 -10.482 -10.715 1.00 0.00 C ATOM 538 OD1 ASP A 36 2.210 -9.310 -10.426 1.00 0.00 O ATOM 539 OD2 ASP A 36 2.449 -11.007 -11.732 1.00 0.00 O ATOM 0 H ASP A 36 0.620 -10.437 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 36 0.839 -9.460 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.898 -11.980 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.557 -12.005 -10.293 1.00 0.00 H new ATOM 544 N ASP A 37 -1.905 -11.111 -8.723 1.00 0.00 N ATOM 545 CA ASP A 37 -3.317 -11.099 -9.186 1.00 0.00 C ATOM 546 C ASP A 37 -4.273 -11.199 -7.999 1.00 0.00 C ATOM 547 O ASP A 37 -5.476 -11.189 -8.165 1.00 0.00 O ATOM 548 CB ASP A 37 -3.530 -12.329 -10.047 1.00 0.00 C ATOM 549 CG ASP A 37 -3.846 -11.911 -11.484 1.00 0.00 C ATOM 550 OD1 ASP A 37 -2.916 -11.578 -12.201 1.00 0.00 O ATOM 551 OD2 ASP A 37 -5.012 -11.930 -11.843 1.00 0.00 O ATOM 0 H ASP A 37 -1.716 -11.723 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.509 -10.174 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.638 -12.955 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.347 -12.928 -9.645 1.00 0.00 H new ATOM 556 N LYS A 38 -3.764 -11.360 -6.811 1.00 0.00 N ATOM 557 CA LYS A 38 -4.680 -11.533 -5.657 1.00 0.00 C ATOM 558 C LYS A 38 -3.949 -11.557 -4.316 1.00 0.00 C ATOM 559 O LYS A 38 -4.529 -11.301 -3.280 1.00 0.00 O ATOM 560 CB LYS A 38 -5.341 -12.879 -5.818 1.00 0.00 C ATOM 561 CG LYS A 38 -4.345 -13.908 -6.368 1.00 0.00 C ATOM 562 CD LYS A 38 -5.112 -15.125 -6.889 1.00 0.00 C ATOM 563 CE LYS A 38 -4.479 -16.403 -6.337 1.00 0.00 C ATOM 564 NZ LYS A 38 -5.550 -17.311 -5.835 1.00 0.00 N ATOM 0 H LYS A 38 -2.768 -11.379 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.377 -10.695 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.728 -13.217 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.193 -12.793 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.753 -13.466 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.648 -14.210 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.158 -15.065 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.095 -15.140 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.901 -16.901 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.786 -16.160 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.183 -18.282 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.854 -17.000 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.361 -17.285 -6.486 1.00 0.00 H new ATOM 578 N HIS A 39 -2.701 -11.893 -4.319 1.00 0.00 N ATOM 579 CA HIS A 39 -1.939 -11.976 -3.043 1.00 0.00 C ATOM 580 C HIS A 39 -2.558 -13.070 -2.171 1.00 0.00 C ATOM 581 O HIS A 39 -2.525 -13.003 -0.959 1.00 0.00 O ATOM 582 CB HIS A 39 -1.996 -10.645 -2.286 1.00 0.00 C ATOM 583 CG HIS A 39 -2.527 -9.536 -3.159 1.00 0.00 C ATOM 584 ND1 HIS A 39 -3.371 -8.552 -2.666 1.00 0.00 N ATOM 585 CD2 HIS A 39 -2.365 -9.255 -4.493 1.00 0.00 C ATOM 586 CE1 HIS A 39 -3.682 -7.734 -3.688 1.00 0.00 C ATOM 587 NE2 HIS A 39 -3.095 -8.117 -4.825 1.00 0.00 N ATOM 0 H HIS A 39 -2.164 -12.117 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.897 -12.205 -3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.630 -10.752 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.999 -10.384 -1.930 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -3.697 -8.464 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.762 -9.830 -5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.328 -6.873 -3.600 1.00 0.00 H new ATOM 595 N LYS A 40 -3.130 -14.069 -2.791 1.00 0.00 N ATOM 596 CA LYS A 40 -3.767 -15.178 -2.037 1.00 0.00 C ATOM 597 C LYS A 40 -2.975 -15.483 -0.762 1.00 0.00 C ATOM 598 O LYS A 40 -1.811 -15.829 -0.809 1.00 0.00 O ATOM 599 CB LYS A 40 -3.810 -16.427 -2.919 1.00 0.00 C ATOM 600 CG LYS A 40 -2.398 -16.758 -3.409 1.00 0.00 C ATOM 601 CD LYS A 40 -2.104 -18.238 -3.154 1.00 0.00 C ATOM 602 CE LYS A 40 -3.161 -19.096 -3.852 1.00 0.00 C ATOM 603 NZ LYS A 40 -2.593 -20.442 -4.148 1.00 0.00 N ATOM 0 H LYS A 40 -3.181 -14.160 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.779 -14.882 -1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.217 -17.268 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.472 -16.262 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.309 -16.536 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.667 -16.137 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.111 -18.492 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.105 -18.441 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.042 -19.193 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.484 -18.615 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.311 -21.025 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.765 -20.340 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.306 -20.901 -3.260 1.00 0.00 H new ATOM 617 N LEU A 41 -3.599 -15.357 0.377 1.00 0.00 N ATOM 618 CA LEU A 41 -2.886 -15.640 1.654 1.00 0.00 C ATOM 619 C LEU A 41 -2.370 -17.079 1.656 1.00 0.00 C ATOM 620 O LEU A 41 -2.499 -17.801 0.688 1.00 0.00 O ATOM 621 CB LEU A 41 -3.837 -15.423 2.841 1.00 0.00 C ATOM 622 CG LEU A 41 -4.881 -16.549 2.934 1.00 0.00 C ATOM 623 CD1 LEU A 41 -5.398 -16.928 1.544 1.00 0.00 C ATOM 624 CD2 LEU A 41 -4.263 -17.782 3.597 1.00 0.00 C ATOM 0 H LEU A 41 -4.573 -15.070 0.478 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.039 -14.960 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.263 -15.379 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.343 -14.463 2.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.716 -16.189 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.135 -17.726 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.861 -16.058 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.567 -17.270 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.009 -18.574 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.415 -18.127 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.924 -17.524 4.600 1.00 0.00 H new ATOM 636 N ILE A 42 -1.790 -17.500 2.745 1.00 0.00 N ATOM 637 CA ILE A 42 -1.267 -18.892 2.829 1.00 0.00 C ATOM 638 C ILE A 42 -1.605 -19.474 4.203 1.00 0.00 C ATOM 639 O ILE A 42 -1.373 -18.855 5.223 1.00 0.00 O ATOM 640 CB ILE A 42 0.250 -18.880 2.638 1.00 0.00 C ATOM 641 CG1 ILE A 42 0.815 -20.264 2.967 1.00 0.00 C ATOM 642 CG2 ILE A 42 0.875 -17.842 3.571 1.00 0.00 C ATOM 643 CD1 ILE A 42 2.195 -20.418 2.325 1.00 0.00 C ATOM 0 H ILE A 42 -1.655 -16.937 3.585 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.723 -19.503 2.050 1.00 0.00 H new ATOM 0 HB ILE A 42 0.483 -18.626 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.889 -20.391 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.143 -21.040 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.956 -17.834 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.473 -16.856 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.642 -18.095 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.597 -21.404 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.108 -20.309 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.865 -19.651 2.714 1.00 0.00 H new ATOM 655 N THR A 43 -2.157 -20.657 4.239 1.00 0.00 N ATOM 656 CA THR A 43 -2.513 -21.274 5.548 1.00 0.00 C ATOM 657 C THR A 43 -1.372 -21.058 6.544 1.00 0.00 C ATOM 658 O THR A 43 -0.213 -21.229 6.223 1.00 0.00 O ATOM 659 CB THR A 43 -2.749 -22.774 5.359 1.00 0.00 C ATOM 660 OG1 THR A 43 -3.085 -23.032 4.003 1.00 0.00 O ATOM 661 CG2 THR A 43 -3.894 -23.230 6.266 1.00 0.00 C ATOM 0 H THR A 43 -2.376 -21.222 3.419 1.00 0.00 H new ATOM 0 HA THR A 43 -3.421 -20.809 5.932 1.00 0.00 H new ATOM 0 HB THR A 43 -1.842 -23.320 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.235 -23.993 3.880 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.062 -24.299 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.635 -23.032 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.802 -22.685 6.008 1.00 0.00 H new ATOM 669 N LYS A 44 -1.693 -20.683 7.752 1.00 0.00 N ATOM 670 CA LYS A 44 -0.629 -20.455 8.770 1.00 0.00 C ATOM 671 C LYS A 44 0.173 -21.742 8.968 1.00 0.00 C ATOM 672 O LYS A 44 1.331 -21.713 9.334 1.00 0.00 O ATOM 673 CB LYS A 44 -1.273 -20.048 10.097 1.00 0.00 C ATOM 674 CG LYS A 44 -0.180 -19.775 11.133 1.00 0.00 C ATOM 675 CD LYS A 44 -0.563 -20.424 12.464 1.00 0.00 C ATOM 676 CE LYS A 44 0.481 -21.478 12.838 1.00 0.00 C ATOM 677 NZ LYS A 44 -0.203 -22.766 13.149 1.00 0.00 N ATOM 0 H LYS A 44 -2.646 -20.525 8.078 1.00 0.00 H new ATOM 0 HA LYS A 44 0.036 -19.662 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.887 -19.158 9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.934 -20.839 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.773 -20.172 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.049 -18.701 11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.626 -19.666 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.548 -20.884 12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.184 -21.616 12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.059 -21.143 13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.506 -23.483 13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.857 -22.628 13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.736 -23.086 12.315 1.00 0.00 H new ATOM 691 N THR A 45 -0.433 -22.873 8.731 1.00 0.00 N ATOM 692 CA THR A 45 0.296 -24.159 8.909 1.00 0.00 C ATOM 693 C THR A 45 1.302 -24.338 7.770 1.00 0.00 C ATOM 694 O THR A 45 2.452 -24.661 7.991 1.00 0.00 O ATOM 695 CB THR A 45 -0.703 -25.319 8.894 1.00 0.00 C ATOM 696 OG1 THR A 45 -1.433 -25.297 7.675 1.00 0.00 O ATOM 697 CG2 THR A 45 -1.668 -25.178 10.072 1.00 0.00 C ATOM 0 H THR A 45 -1.401 -22.961 8.422 1.00 0.00 H new ATOM 0 HA THR A 45 0.825 -24.147 9.862 1.00 0.00 H new ATOM 0 HB THR A 45 -0.166 -26.264 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.072 -26.040 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.379 -26.004 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.107 -25.195 11.006 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.207 -24.234 9.990 1.00 0.00 H new ATOM 705 N GLU A 46 0.880 -24.135 6.553 1.00 0.00 N ATOM 706 CA GLU A 46 1.815 -24.299 5.405 1.00 0.00 C ATOM 707 C GLU A 46 2.596 -23.001 5.182 1.00 0.00 C ATOM 708 O GLU A 46 3.401 -22.902 4.279 1.00 0.00 O ATOM 709 CB GLU A 46 1.019 -24.638 4.142 1.00 0.00 C ATOM 710 CG GLU A 46 0.268 -23.395 3.660 1.00 0.00 C ATOM 711 CD GLU A 46 -0.500 -23.725 2.380 1.00 0.00 C ATOM 712 OE1 GLU A 46 -0.898 -24.869 2.229 1.00 0.00 O ATOM 713 OE2 GLU A 46 -0.679 -22.829 1.571 1.00 0.00 O ATOM 0 H GLU A 46 -0.071 -23.863 6.304 1.00 0.00 H new ATOM 0 HA GLU A 46 2.514 -25.106 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.691 -24.995 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.314 -25.444 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.421 -23.052 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.970 -22.582 3.476 1.00 0.00 H new ATOM 720 N ALA A 47 2.358 -22.001 5.985 1.00 0.00 N ATOM 721 CA ALA A 47 3.087 -20.713 5.806 1.00 0.00 C ATOM 722 C ALA A 47 4.416 -20.740 6.570 1.00 0.00 C ATOM 723 O ALA A 47 5.479 -20.627 5.996 1.00 0.00 O ATOM 724 CB ALA A 47 2.224 -19.566 6.333 1.00 0.00 C ATOM 0 H ALA A 47 1.691 -22.019 6.757 1.00 0.00 H new ATOM 0 HA ALA A 47 3.292 -20.568 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.754 -18.623 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.285 -19.533 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.017 -19.723 7.391 1.00 0.00 H new ATOM 730 N LYS A 48 4.358 -20.877 7.866 1.00 0.00 N ATOM 731 CA LYS A 48 5.616 -20.888 8.681 1.00 0.00 C ATOM 732 C LYS A 48 6.222 -22.292 8.686 1.00 0.00 C ATOM 733 O LYS A 48 7.337 -22.511 8.215 1.00 0.00 O ATOM 734 CB LYS A 48 5.324 -20.452 10.130 1.00 0.00 C ATOM 735 CG LYS A 48 3.848 -20.670 10.481 1.00 0.00 C ATOM 736 CD LYS A 48 3.618 -20.341 11.958 1.00 0.00 C ATOM 737 CE LYS A 48 4.276 -19.002 12.294 1.00 0.00 C ATOM 738 NZ LYS A 48 3.812 -18.543 13.633 1.00 0.00 N ATOM 0 H LYS A 48 3.496 -20.982 8.400 1.00 0.00 H new ATOM 0 HA LYS A 48 6.322 -20.187 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.953 -21.018 10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.580 -19.400 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.218 -20.039 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.564 -21.703 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.550 -20.296 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.033 -21.129 12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.361 -19.106 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.024 -18.260 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.444 -17.794 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.844 -18.171 13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.824 -19.343 14.298 1.00 0.00 H new ATOM 752 N GLN A 49 5.502 -23.248 9.214 1.00 0.00 N ATOM 753 CA GLN A 49 6.025 -24.638 9.249 1.00 0.00 C ATOM 754 C GLN A 49 6.736 -24.912 7.933 1.00 0.00 C ATOM 755 O GLN A 49 7.909 -25.230 7.919 1.00 0.00 O ATOM 756 CB GLN A 49 4.864 -25.619 9.421 1.00 0.00 C ATOM 757 CG GLN A 49 5.007 -26.358 10.734 1.00 0.00 C ATOM 758 CD GLN A 49 6.425 -26.917 10.867 1.00 0.00 C ATOM 759 OE1 GLN A 49 7.187 -26.479 11.705 1.00 0.00 O ATOM 760 NE2 GLN A 49 6.813 -27.873 10.068 1.00 0.00 N ATOM 0 H GLN A 49 4.575 -23.122 9.621 1.00 0.00 H new ATOM 0 HA GLN A 49 6.716 -24.761 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.916 -25.082 9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.850 -26.328 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.793 -25.686 11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.281 -27.169 10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.173 -28.241 9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.756 -28.253 10.147 1.00 0.00 H new ATOM 769 N GLU A 50 6.032 -24.737 6.833 1.00 0.00 N ATOM 770 CA GLU A 50 6.639 -24.943 5.483 1.00 0.00 C ATOM 771 C GLU A 50 7.824 -24.026 5.327 1.00 0.00 C ATOM 772 O GLU A 50 8.843 -24.394 4.781 1.00 0.00 O ATOM 773 CB GLU A 50 5.656 -24.548 4.396 1.00 0.00 C ATOM 774 CG GLU A 50 4.458 -25.499 4.399 1.00 0.00 C ATOM 775 CD GLU A 50 4.773 -26.721 3.535 1.00 0.00 C ATOM 776 OE1 GLU A 50 4.722 -26.595 2.323 1.00 0.00 O ATOM 777 OE2 GLU A 50 5.060 -27.764 4.101 1.00 0.00 O ATOM 0 H GLU A 50 5.051 -24.457 6.819 1.00 0.00 H new ATOM 0 HA GLU A 50 6.918 -25.993 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.318 -23.524 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.148 -24.573 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.230 -25.810 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.574 -24.988 4.017 1.00 0.00 H new ATOM 784 N TYR A 51 7.697 -22.816 5.789 1.00 0.00 N ATOM 785 CA TYR A 51 8.822 -21.870 5.648 1.00 0.00 C ATOM 786 C TYR A 51 9.952 -22.271 6.612 1.00 0.00 C ATOM 787 O TYR A 51 10.878 -21.524 6.846 1.00 0.00 O ATOM 788 CB TYR A 51 8.349 -20.447 5.955 1.00 0.00 C ATOM 789 CG TYR A 51 7.589 -19.892 4.769 1.00 0.00 C ATOM 790 CD1 TYR A 51 7.041 -20.758 3.812 1.00 0.00 C ATOM 791 CD2 TYR A 51 7.425 -18.509 4.633 1.00 0.00 C ATOM 792 CE1 TYR A 51 6.332 -20.240 2.723 1.00 0.00 C ATOM 793 CE2 TYR A 51 6.716 -17.992 3.542 1.00 0.00 C ATOM 794 CZ TYR A 51 6.169 -18.857 2.588 1.00 0.00 C ATOM 795 OH TYR A 51 5.468 -18.346 1.514 1.00 0.00 O ATOM 0 H TYR A 51 6.867 -22.448 6.254 1.00 0.00 H new ATOM 0 HA TYR A 51 9.195 -21.901 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.711 -20.449 6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.204 -19.810 6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.166 -21.826 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.845 -17.840 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.910 -20.908 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.591 -16.924 3.437 1.00 0.00 H new ATOM 0 HH TYR A 51 5.240 -17.409 1.688 1.00 0.00 H new ATOM 805 N LEU A 52 9.864 -23.455 7.166 1.00 0.00 N ATOM 806 CA LEU A 52 10.888 -23.972 8.106 1.00 0.00 C ATOM 807 C LEU A 52 10.809 -23.211 9.413 1.00 0.00 C ATOM 808 O LEU A 52 11.805 -22.797 9.973 1.00 0.00 O ATOM 809 CB LEU A 52 12.274 -23.847 7.486 1.00 0.00 C ATOM 810 CG LEU A 52 12.449 -24.915 6.398 1.00 0.00 C ATOM 811 CD1 LEU A 52 12.831 -26.245 7.040 1.00 0.00 C ATOM 812 CD2 LEU A 52 11.157 -25.101 5.600 1.00 0.00 C ATOM 0 H LEU A 52 9.094 -24.102 6.994 1.00 0.00 H new ATOM 0 HA LEU A 52 10.699 -25.027 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.404 -22.853 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.039 -23.966 8.253 1.00 0.00 H new ATOM 0 HG LEU A 52 13.237 -24.584 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.954 -27.001 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.767 -26.130 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.045 -26.556 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.308 -25.863 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.357 -25.414 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.884 -24.159 5.124 1.00 0.00 H new ATOM 824 N LEU A 53 9.621 -23.029 9.909 1.00 0.00 N ATOM 825 CA LEU A 53 9.473 -22.296 11.195 1.00 0.00 C ATOM 826 C LEU A 53 8.044 -22.444 11.721 1.00 0.00 C ATOM 827 O LEU A 53 7.148 -22.853 11.011 1.00 0.00 O ATOM 828 CB LEU A 53 9.796 -20.821 10.969 1.00 0.00 C ATOM 829 CG LEU A 53 8.930 -20.276 9.835 1.00 0.00 C ATOM 830 CD1 LEU A 53 7.891 -19.319 10.409 1.00 0.00 C ATOM 831 CD2 LEU A 53 9.808 -19.523 8.835 1.00 0.00 C ATOM 0 H LEU A 53 8.752 -23.353 9.485 1.00 0.00 H new ATOM 0 HA LEU A 53 10.160 -22.711 11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.616 -20.254 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.851 -20.703 10.724 1.00 0.00 H new ATOM 0 HG LEU A 53 8.431 -21.104 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.271 -18.928 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.263 -19.850 11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.395 -18.494 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.188 -19.135 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.306 -18.695 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.556 -20.201 8.425 1.00 0.00 H new ATOM 843 N LYS A 54 7.827 -22.118 12.966 1.00 0.00 N ATOM 844 CA LYS A 54 6.460 -22.242 13.542 1.00 0.00 C ATOM 845 C LYS A 54 6.392 -21.463 14.857 1.00 0.00 C ATOM 846 O LYS A 54 6.526 -22.021 15.928 1.00 0.00 O ATOM 847 CB LYS A 54 6.148 -23.716 13.806 1.00 0.00 C ATOM 848 CG LYS A 54 7.325 -24.365 14.538 1.00 0.00 C ATOM 849 CD LYS A 54 6.893 -24.760 15.951 1.00 0.00 C ATOM 850 CE LYS A 54 7.992 -24.380 16.946 1.00 0.00 C ATOM 851 NZ LYS A 54 8.846 -25.570 17.221 1.00 0.00 N ATOM 0 H LYS A 54 8.539 -21.771 13.609 1.00 0.00 H new ATOM 0 HA LYS A 54 5.731 -21.838 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.241 -23.805 14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.962 -24.233 12.865 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.666 -25.244 13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.165 -23.672 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.962 -24.257 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.700 -25.832 15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.598 -23.569 16.542 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.548 -24.015 17.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.593 -25.312 17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.262 -26.331 17.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.280 -25.898 16.335 1.00 0.00 H new ATOM 865 N ASP A 55 6.186 -20.177 14.784 1.00 0.00 N ATOM 866 CA ASP A 55 6.110 -19.361 16.029 1.00 0.00 C ATOM 867 C ASP A 55 7.519 -19.135 16.579 1.00 0.00 C ATOM 868 O ASP A 55 8.473 -19.741 16.132 1.00 0.00 O ATOM 869 CB ASP A 55 5.266 -20.096 17.072 1.00 0.00 C ATOM 870 CG ASP A 55 4.382 -19.092 17.814 1.00 0.00 C ATOM 871 OD1 ASP A 55 4.742 -17.927 17.847 1.00 0.00 O ATOM 872 OD2 ASP A 55 3.360 -19.505 18.337 1.00 0.00 O ATOM 0 H ASP A 55 6.067 -19.655 13.916 1.00 0.00 H new ATOM 0 HA ASP A 55 5.650 -18.399 15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.648 -20.852 16.588 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.913 -20.617 17.777 1.00 0.00 H new ATOM 877 N CYS A 56 7.653 -18.262 17.545 1.00 0.00 N ATOM 878 CA CYS A 56 8.996 -17.982 18.137 1.00 0.00 C ATOM 879 C CYS A 56 9.758 -16.988 17.254 1.00 0.00 C ATOM 880 O CYS A 56 10.761 -16.432 17.657 1.00 0.00 O ATOM 881 CB CYS A 56 9.794 -19.283 18.251 1.00 0.00 C ATOM 882 SG CYS A 56 10.687 -19.307 19.825 1.00 0.00 S ATOM 0 H CYS A 56 6.885 -17.728 17.951 1.00 0.00 H new ATOM 0 HA CYS A 56 8.864 -17.552 19.130 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.124 -20.140 18.188 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.496 -19.366 17.421 1.00 0.00 H new ATOM 0 HG CYS A 56 11.363 -20.413 19.923 1.00 0.00 H new ATOM 888 N ASP A 57 9.297 -16.760 16.054 1.00 0.00 N ATOM 889 CA ASP A 57 9.987 -15.815 15.151 1.00 0.00 C ATOM 890 C ASP A 57 9.117 -14.581 14.978 1.00 0.00 C ATOM 891 O ASP A 57 9.521 -13.460 15.220 1.00 0.00 O ATOM 892 CB ASP A 57 10.113 -16.484 13.795 1.00 0.00 C ATOM 893 CG ASP A 57 11.339 -15.949 13.054 1.00 0.00 C ATOM 894 OD1 ASP A 57 12.413 -16.490 13.258 1.00 0.00 O ATOM 895 OD2 ASP A 57 11.183 -15.007 12.294 1.00 0.00 O ATOM 0 H ASP A 57 8.462 -17.196 15.663 1.00 0.00 H new ATOM 0 HA ASP A 57 10.962 -15.542 15.555 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.197 -17.563 13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.214 -16.301 13.206 1.00 0.00 H new ATOM 900 N LEU A 58 7.921 -14.807 14.533 1.00 0.00 N ATOM 901 CA LEU A 58 6.966 -13.697 14.290 1.00 0.00 C ATOM 902 C LEU A 58 6.476 -13.137 15.623 1.00 0.00 C ATOM 903 O LEU A 58 5.756 -12.160 15.670 1.00 0.00 O ATOM 904 CB LEU A 58 5.776 -14.242 13.503 1.00 0.00 C ATOM 905 CG LEU A 58 6.181 -14.566 12.058 1.00 0.00 C ATOM 906 CD1 LEU A 58 7.467 -15.402 12.024 1.00 0.00 C ATOM 907 CD2 LEU A 58 5.057 -15.368 11.412 1.00 0.00 C ATOM 0 H LEU A 58 7.555 -15.735 14.322 1.00 0.00 H new ATOM 0 HA LEU A 58 7.458 -12.903 13.728 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.394 -15.140 13.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.968 -13.511 13.504 1.00 0.00 H new ATOM 0 HG LEU A 58 6.358 -13.634 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.733 -15.618 10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.276 -14.845 12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.307 -16.337 12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.326 -15.608 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.900 -16.291 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.140 -14.779 11.419 1.00 0.00 H new ATOM 919 N GLU A 59 6.881 -13.732 16.704 1.00 0.00 N ATOM 920 CA GLU A 59 6.471 -13.227 18.031 1.00 0.00 C ATOM 921 C GLU A 59 7.738 -12.826 18.768 1.00 0.00 C ATOM 922 O GLU A 59 7.704 -12.355 19.887 1.00 0.00 O ATOM 923 CB GLU A 59 5.745 -14.329 18.806 1.00 0.00 C ATOM 924 CG GLU A 59 4.242 -14.238 18.538 1.00 0.00 C ATOM 925 CD GLU A 59 3.527 -15.393 19.241 1.00 0.00 C ATOM 926 OE1 GLU A 59 3.924 -15.726 20.345 1.00 0.00 O ATOM 927 OE2 GLU A 59 2.594 -15.926 18.662 1.00 0.00 O ATOM 0 H GLU A 59 7.484 -14.554 16.722 1.00 0.00 H new ATOM 0 HA GLU A 59 5.794 -12.379 17.932 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.120 -15.307 18.505 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.941 -14.227 19.873 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.855 -13.284 18.897 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.050 -14.276 17.466 1.00 0.00 H new ATOM 934 N LYS A 60 8.868 -13.013 18.134 1.00 0.00 N ATOM 935 CA LYS A 60 10.140 -12.649 18.780 1.00 0.00 C ATOM 936 C LYS A 60 10.383 -11.152 18.588 1.00 0.00 C ATOM 937 O LYS A 60 10.988 -10.498 19.415 1.00 0.00 O ATOM 938 CB LYS A 60 11.286 -13.441 18.146 1.00 0.00 C ATOM 939 CG LYS A 60 12.302 -13.820 19.225 1.00 0.00 C ATOM 940 CD LYS A 60 13.532 -14.449 18.568 1.00 0.00 C ATOM 941 CE LYS A 60 14.679 -14.502 19.579 1.00 0.00 C ATOM 942 NZ LYS A 60 14.299 -15.386 20.717 1.00 0.00 N ATOM 0 H LYS A 60 8.952 -13.403 17.196 1.00 0.00 H new ATOM 0 HA LYS A 60 10.092 -12.882 19.844 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.899 -14.339 17.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.768 -12.846 17.370 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.592 -12.936 19.793 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.855 -14.520 19.931 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.296 -15.453 18.216 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.829 -13.867 17.695 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.583 -14.877 19.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.904 -13.499 19.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.145 -15.613 21.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.606 -14.898 21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.881 -16.264 20.350 1.00 0.00 H new ATOM 956 N ARG A 61 9.912 -10.605 17.498 1.00 0.00 N ATOM 957 CA ARG A 61 10.112 -9.150 17.248 1.00 0.00 C ATOM 958 C ARG A 61 8.753 -8.448 17.208 1.00 0.00 C ATOM 959 O ARG A 61 8.634 -7.285 17.537 1.00 0.00 O ATOM 960 CB ARG A 61 10.825 -8.956 15.908 1.00 0.00 C ATOM 961 CG ARG A 61 12.336 -8.885 16.138 1.00 0.00 C ATOM 962 CD ARG A 61 13.054 -8.789 14.791 1.00 0.00 C ATOM 963 NE ARG A 61 14.358 -8.090 14.971 1.00 0.00 N ATOM 964 CZ ARG A 61 14.672 -7.086 14.199 1.00 0.00 C ATOM 965 NH1 ARG A 61 14.316 -7.091 12.943 1.00 0.00 N ATOM 966 NH2 ARG A 61 15.342 -6.076 14.683 1.00 0.00 N ATOM 0 H ARG A 61 9.398 -11.104 16.772 1.00 0.00 H new ATOM 0 HA ARG A 61 10.718 -8.724 18.048 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.587 -9.780 15.235 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.476 -8.042 15.428 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.580 -8.020 16.755 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.674 -9.768 16.680 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.217 -9.786 14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.435 -8.248 14.075 1.00 0.00 H new ATOM 0 HE ARG A 61 15.005 -8.396 15.698 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.792 -7.880 12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.562 -6.306 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.620 -6.072 15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.588 -5.291 14.080 1.00 0.00 H new ATOM 980 N GLU A 62 7.725 -9.146 16.807 1.00 0.00 N ATOM 981 CA GLU A 62 6.375 -8.518 16.746 1.00 0.00 C ATOM 982 C GLU A 62 6.297 -7.592 15.528 1.00 0.00 C ATOM 983 O GLU A 62 6.145 -6.395 15.671 1.00 0.00 O ATOM 984 CB GLU A 62 6.134 -7.706 18.021 1.00 0.00 C ATOM 985 CG GLU A 62 4.638 -7.692 18.343 1.00 0.00 C ATOM 986 CD GLU A 62 4.309 -6.462 19.191 1.00 0.00 C ATOM 987 OE1 GLU A 62 4.670 -6.458 20.356 1.00 0.00 O ATOM 988 OE2 GLU A 62 3.703 -5.546 18.661 1.00 0.00 O ATOM 0 H GLU A 62 7.762 -10.124 16.519 1.00 0.00 H new ATOM 0 HA GLU A 62 5.615 -9.295 16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.691 -8.139 18.851 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.498 -6.687 17.890 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.057 -7.677 17.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.362 -8.600 18.879 1.00 0.00 H new ATOM 995 N PRO A 63 6.405 -8.179 14.363 1.00 0.00 N ATOM 996 CA PRO A 63 6.353 -7.444 13.093 1.00 0.00 C ATOM 997 C PRO A 63 4.919 -7.031 12.746 1.00 0.00 C ATOM 998 O PRO A 63 3.985 -7.417 13.419 1.00 0.00 O ATOM 999 CB PRO A 63 6.905 -8.416 12.074 1.00 0.00 C ATOM 1000 CG PRO A 63 6.731 -9.802 12.683 1.00 0.00 C ATOM 1001 CD PRO A 63 6.589 -9.625 14.203 1.00 0.00 C ATOM 0 HA PRO A 63 6.922 -6.515 13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.371 -8.335 11.127 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.955 -8.210 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.850 -10.294 12.271 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.588 -10.434 12.449 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.739 -10.184 14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.474 -9.978 14.733 1.00 0.00 H new ATOM 1009 N PRO A 64 4.793 -6.253 11.699 1.00 0.00 N ATOM 1010 CA PRO A 64 3.488 -5.761 11.222 1.00 0.00 C ATOM 1011 C PRO A 64 2.771 -6.834 10.393 1.00 0.00 C ATOM 1012 O PRO A 64 2.185 -6.547 9.368 1.00 0.00 O ATOM 1013 CB PRO A 64 3.860 -4.563 10.344 1.00 0.00 C ATOM 1014 CG PRO A 64 5.329 -4.781 9.905 1.00 0.00 C ATOM 1015 CD PRO A 64 5.943 -5.785 10.899 1.00 0.00 C ATOM 0 HA PRO A 64 2.809 -5.503 12.034 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.202 -4.497 9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.754 -3.629 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.375 -5.167 8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.880 -3.840 9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.430 -6.611 10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.699 -5.313 11.527 1.00 0.00 H new ATOM 1023 N LEU A 65 2.810 -8.066 10.824 1.00 0.00 N ATOM 1024 CA LEU A 65 2.128 -9.146 10.057 1.00 0.00 C ATOM 1025 C LEU A 65 0.828 -9.530 10.766 1.00 0.00 C ATOM 1026 O LEU A 65 0.793 -9.698 11.969 1.00 0.00 O ATOM 1027 CB LEU A 65 3.046 -10.369 9.975 1.00 0.00 C ATOM 1028 CG LEU A 65 2.251 -11.575 9.470 1.00 0.00 C ATOM 1029 CD1 LEU A 65 1.511 -11.198 8.185 1.00 0.00 C ATOM 1030 CD2 LEU A 65 3.212 -12.731 9.184 1.00 0.00 C ATOM 0 H LEU A 65 3.285 -8.370 11.674 1.00 0.00 H new ATOM 0 HA LEU A 65 1.902 -8.793 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.881 -10.165 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.469 -10.585 10.956 1.00 0.00 H new ATOM 0 HG LEU A 65 1.529 -11.879 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.945 -12.057 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.828 -10.373 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.232 -10.895 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.649 -13.592 8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.933 -12.426 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.740 -13.000 10.099 1.00 0.00 H new ATOM 1042 N LYS A 66 -0.244 -9.669 10.033 1.00 0.00 N ATOM 1043 CA LYS A 66 -1.537 -10.040 10.673 1.00 0.00 C ATOM 1044 C LYS A 66 -2.059 -11.342 10.064 1.00 0.00 C ATOM 1045 O LYS A 66 -1.561 -11.818 9.060 1.00 0.00 O ATOM 1046 CB LYS A 66 -2.561 -8.926 10.446 1.00 0.00 C ATOM 1047 CG LYS A 66 -2.028 -7.619 11.033 1.00 0.00 C ATOM 1048 CD LYS A 66 -2.387 -7.539 12.518 1.00 0.00 C ATOM 1049 CE LYS A 66 -2.537 -6.073 12.929 1.00 0.00 C ATOM 1050 NZ LYS A 66 -1.351 -5.657 13.731 1.00 0.00 N ATOM 0 H LYS A 66 -0.279 -9.542 9.022 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.381 -10.178 11.743 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.754 -8.807 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.510 -9.188 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.947 -7.566 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.453 -6.769 10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.315 -8.078 12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.612 -8.018 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.629 -5.444 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.448 -5.939 13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.453 -4.660 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.282 -6.250 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.489 -5.770 13.160 1.00 0.00 H new ATOM 1064 N PHE A 67 -3.055 -11.925 10.669 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.607 -13.195 10.139 1.00 0.00 C ATOM 1066 C PHE A 67 -5.126 -13.194 10.270 1.00 0.00 C ATOM 1067 O PHE A 67 -5.698 -12.418 11.009 1.00 0.00 O ATOM 1068 CB PHE A 67 -3.060 -14.356 10.959 1.00 0.00 C ATOM 1069 CG PHE A 67 -2.976 -13.955 12.411 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -1.842 -13.295 12.899 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -4.041 -14.248 13.273 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -1.775 -12.928 14.249 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -3.974 -13.881 14.621 1.00 0.00 C ATOM 1074 CZ PHE A 67 -2.840 -13.221 15.109 1.00 0.00 C ATOM 0 H PHE A 67 -3.510 -11.573 11.511 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.324 -13.296 9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.705 -15.228 10.849 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.074 -14.641 10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.020 -13.069 12.236 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.915 -14.758 12.896 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.901 -12.418 14.627 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.796 -14.106 15.284 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.787 -12.938 16.150 1.00 0.00 H new ATOM 1084 N ILE A 68 -5.781 -14.085 9.583 1.00 0.00 N ATOM 1085 CA ILE A 68 -7.251 -14.169 9.692 1.00 0.00 C ATOM 1086 C ILE A 68 -7.571 -15.438 10.468 1.00 0.00 C ATOM 1087 O ILE A 68 -6.685 -16.196 10.804 1.00 0.00 O ATOM 1088 CB ILE A 68 -7.883 -14.183 8.291 1.00 0.00 C ATOM 1089 CG1 ILE A 68 -8.176 -15.601 7.854 1.00 0.00 C ATOM 1090 CG2 ILE A 68 -6.934 -13.536 7.283 1.00 0.00 C ATOM 1091 CD1 ILE A 68 -8.545 -15.629 6.368 1.00 0.00 C ATOM 0 H ILE A 68 -5.354 -14.760 8.949 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.662 -13.305 10.214 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.816 -13.621 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.305 -16.232 8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.993 -16.011 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.390 -13.550 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.738 -12.505 7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.996 -14.091 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.754 -16.655 6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.429 -15.014 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.715 -15.238 5.780 1.00 0.00 H new ATOM 1103 N VAL A 69 -8.808 -15.676 10.771 1.00 0.00 N ATOM 1104 CA VAL A 69 -9.134 -16.892 11.545 1.00 0.00 C ATOM 1105 C VAL A 69 -10.652 -17.065 11.597 1.00 0.00 C ATOM 1106 O VAL A 69 -11.342 -16.408 12.351 1.00 0.00 O ATOM 1107 CB VAL A 69 -8.535 -16.733 12.951 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -9.431 -17.372 14.003 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -7.169 -17.409 12.988 1.00 0.00 C ATOM 0 H VAL A 69 -9.601 -15.086 10.519 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.715 -17.783 11.079 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.444 -15.669 13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.983 -17.245 14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.411 -16.894 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.542 -18.435 13.789 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.736 -17.301 13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.280 -18.468 12.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.512 -16.942 12.254 1.00 0.00 H new ATOM 1119 N LYS A 70 -11.167 -17.947 10.795 1.00 0.00 N ATOM 1120 CA LYS A 70 -12.639 -18.178 10.783 1.00 0.00 C ATOM 1121 C LYS A 70 -13.000 -19.121 9.634 1.00 0.00 C ATOM 1122 O LYS A 70 -12.143 -19.605 8.922 1.00 0.00 O ATOM 1123 CB LYS A 70 -13.362 -16.843 10.592 1.00 0.00 C ATOM 1124 CG LYS A 70 -14.124 -16.489 11.871 1.00 0.00 C ATOM 1125 CD LYS A 70 -14.477 -15.000 11.860 1.00 0.00 C ATOM 1126 CE LYS A 70 -15.869 -14.801 12.463 1.00 0.00 C ATOM 1127 NZ LYS A 70 -16.896 -15.351 11.535 1.00 0.00 N ATOM 0 H LYS A 70 -10.633 -18.522 10.143 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.943 -18.626 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.643 -16.058 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.052 -16.908 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.032 -17.088 11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.517 -16.723 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.738 -14.436 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.453 -14.617 10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.933 -15.300 13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.053 -13.741 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.791 -14.837 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.571 -15.241 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.044 -16.360 11.739 1.00 0.00 H new ATOM 1141 N LYS A 71 -14.264 -19.385 9.447 1.00 0.00 N ATOM 1142 CA LYS A 71 -14.680 -20.297 8.345 1.00 0.00 C ATOM 1143 C LYS A 71 -14.077 -19.810 7.026 1.00 0.00 C ATOM 1144 O LYS A 71 -13.954 -18.625 6.789 1.00 0.00 O ATOM 1145 CB LYS A 71 -16.207 -20.303 8.236 1.00 0.00 C ATOM 1146 CG LYS A 71 -16.809 -20.857 9.529 1.00 0.00 C ATOM 1147 CD LYS A 71 -17.995 -19.988 9.954 1.00 0.00 C ATOM 1148 CE LYS A 71 -18.946 -20.811 10.825 1.00 0.00 C ATOM 1149 NZ LYS A 71 -20.323 -20.252 10.722 1.00 0.00 N ATOM 0 H LYS A 71 -15.027 -19.008 10.010 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.327 -21.306 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.573 -19.292 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.519 -20.911 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.134 -21.887 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.055 -20.872 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.642 -19.117 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.521 -19.616 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.940 -21.853 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.612 -20.795 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.970 -20.811 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.322 -19.264 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.640 -20.290 9.732 1.00 0.00 H new ATOM 1163 N ASN A 72 -13.698 -20.716 6.166 1.00 0.00 N ATOM 1164 CA ASN A 72 -13.101 -20.302 4.865 1.00 0.00 C ATOM 1165 C ASN A 72 -14.146 -19.539 4.044 1.00 0.00 C ATOM 1166 O ASN A 72 -15.317 -19.859 4.084 1.00 0.00 O ATOM 1167 CB ASN A 72 -12.654 -21.545 4.092 1.00 0.00 C ATOM 1168 CG ASN A 72 -11.267 -21.974 4.574 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -10.457 -21.147 4.944 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -10.956 -23.241 4.585 1.00 0.00 N ATOM 0 H ASN A 72 -13.776 -21.723 6.308 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.241 -19.658 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.369 -22.355 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.630 -21.332 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.033 -23.537 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.635 -23.936 4.275 1.00 0.00 H new ATOM 1177 N PRO A 73 -13.688 -18.546 3.323 1.00 0.00 N ATOM 1178 CA PRO A 73 -14.549 -17.710 2.480 1.00 0.00 C ATOM 1179 C PRO A 73 -14.868 -18.423 1.162 1.00 0.00 C ATOM 1180 O PRO A 73 -15.915 -18.227 0.577 1.00 0.00 O ATOM 1181 CB PRO A 73 -13.687 -16.471 2.235 1.00 0.00 C ATOM 1182 CG PRO A 73 -12.226 -16.898 2.459 1.00 0.00 C ATOM 1183 CD PRO A 73 -12.265 -18.161 3.280 1.00 0.00 C ATOM 0 HA PRO A 73 -15.512 -17.480 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.829 -16.095 1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.964 -15.666 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.723 -17.070 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.670 -16.117 2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.658 -18.945 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.872 -17.992 4.282 1.00 0.00 H new ATOM 1191 N HIS A 74 -13.973 -19.246 0.690 1.00 0.00 N ATOM 1192 CA HIS A 74 -14.224 -19.967 -0.590 1.00 0.00 C ATOM 1193 C HIS A 74 -14.985 -21.264 -0.310 1.00 0.00 C ATOM 1194 O HIS A 74 -15.435 -21.506 0.793 1.00 0.00 O ATOM 1195 CB HIS A 74 -12.888 -20.294 -1.262 1.00 0.00 C ATOM 1196 CG HIS A 74 -12.139 -21.296 -0.428 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -11.456 -21.176 0.757 1.00 0.00 N flip ATOM 1198 CD2 HIS A 74 -12.031 -22.628 -0.794 1.00 0.00 C flip ATOM 1199 CE1 HIS A 74 -10.930 -22.412 1.122 1.00 0.00 C flip ATOM 1200 NE2 HIS A 74 -11.306 -23.251 0.154 1.00 0.00 N flip ATOM 0 H HIS A 74 -13.078 -19.451 1.135 1.00 0.00 H new ATOM 0 HA HIS A 74 -14.819 -19.335 -1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -13.060 -20.693 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.296 -19.386 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.452 -23.083 -1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -10.344 -22.643 1.999 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -11.072 -24.244 0.135 1.00 0.00 H new ATOM 1208 N HIS A 75 -15.134 -22.100 -1.301 1.00 0.00 N ATOM 1209 CA HIS A 75 -15.867 -23.381 -1.094 1.00 0.00 C ATOM 1210 C HIS A 75 -15.237 -24.151 0.069 1.00 0.00 C ATOM 1211 O HIS A 75 -14.206 -23.775 0.589 1.00 0.00 O ATOM 1212 CB HIS A 75 -15.784 -24.226 -2.367 1.00 0.00 C ATOM 1213 CG HIS A 75 -16.727 -23.672 -3.399 1.00 0.00 C ATOM 1214 ND1 HIS A 75 -17.098 -24.391 -4.524 1.00 0.00 N ATOM 1215 CD2 HIS A 75 -17.383 -22.469 -3.491 1.00 0.00 C ATOM 1216 CE1 HIS A 75 -17.941 -23.623 -5.237 1.00 0.00 C ATOM 1217 NE2 HIS A 75 -18.149 -22.440 -4.652 1.00 0.00 N ATOM 0 H HIS A 75 -14.779 -21.951 -2.246 1.00 0.00 H new ATOM 0 HA HIS A 75 -16.911 -23.168 -0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -14.764 -24.223 -2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.038 -25.262 -2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.315 -21.667 -2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.395 -23.926 -6.169 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -18.742 -21.679 -4.985 1.00 0.00 H new ATOM 1225 N SER A 76 -15.851 -25.227 0.480 1.00 0.00 N ATOM 1226 CA SER A 76 -15.289 -26.022 1.609 1.00 0.00 C ATOM 1227 C SER A 76 -15.173 -25.136 2.851 1.00 0.00 C ATOM 1228 O SER A 76 -14.419 -24.184 2.878 1.00 0.00 O ATOM 1229 CB SER A 76 -13.904 -26.545 1.224 1.00 0.00 C ATOM 1230 OG SER A 76 -13.960 -27.958 1.078 1.00 0.00 O ATOM 0 H SER A 76 -16.718 -25.590 0.083 1.00 0.00 H new ATOM 0 HA SER A 76 -15.948 -26.863 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.574 -26.084 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.175 -26.275 1.988 1.00 0.00 H new ATOM 0 HG SER A 76 -13.499 -28.383 1.831 1.00 0.00 H new ATOM 1236 N GLN A 77 -15.915 -25.442 3.880 1.00 0.00 N ATOM 1237 CA GLN A 77 -15.846 -24.617 5.119 1.00 0.00 C ATOM 1238 C GLN A 77 -15.730 -25.534 6.337 1.00 0.00 C ATOM 1239 O GLN A 77 -16.712 -25.875 6.967 1.00 0.00 O ATOM 1240 CB GLN A 77 -17.114 -23.768 5.238 1.00 0.00 C ATOM 1241 CG GLN A 77 -16.823 -22.346 4.754 1.00 0.00 C ATOM 1242 CD GLN A 77 -18.091 -21.744 4.147 1.00 0.00 C ATOM 1243 OE1 GLN A 77 -18.484 -20.648 4.494 1.00 0.00 O ATOM 1244 NE2 GLN A 77 -18.753 -22.418 3.247 1.00 0.00 N ATOM 0 H GLN A 77 -16.565 -26.227 3.916 1.00 0.00 H new ATOM 0 HA GLN A 77 -14.975 -23.964 5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -17.916 -24.208 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -17.456 -23.749 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -16.478 -21.731 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -16.023 -22.359 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -18.424 -23.338 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -19.599 -22.025 2.836 1.00 0.00 H new ATOM 1253 N TRP A 78 -14.536 -25.938 6.675 1.00 0.00 N ATOM 1254 CA TRP A 78 -14.357 -26.834 7.853 1.00 0.00 C ATOM 1255 C TRP A 78 -14.633 -26.048 9.137 1.00 0.00 C ATOM 1256 O TRP A 78 -15.113 -24.933 9.102 1.00 0.00 O ATOM 1257 CB TRP A 78 -12.922 -27.363 7.876 1.00 0.00 C ATOM 1258 CG TRP A 78 -12.513 -27.753 6.492 1.00 0.00 C ATOM 1259 CD1 TRP A 78 -11.605 -27.094 5.735 1.00 0.00 C ATOM 1260 CD2 TRP A 78 -12.980 -28.874 5.687 1.00 0.00 C ATOM 1261 NE1 TRP A 78 -11.485 -27.740 4.518 1.00 0.00 N ATOM 1262 CE2 TRP A 78 -12.312 -28.843 4.440 1.00 0.00 C ATOM 1263 CE3 TRP A 78 -13.909 -29.906 5.916 1.00 0.00 C ATOM 1264 CZ2 TRP A 78 -12.557 -29.801 3.455 1.00 0.00 C ATOM 1265 CZ3 TRP A 78 -14.158 -30.871 4.926 1.00 0.00 C ATOM 1266 CH2 TRP A 78 -13.483 -30.818 3.699 1.00 0.00 C ATOM 0 H TRP A 78 -13.677 -25.686 6.187 1.00 0.00 H new ATOM 0 HA TRP A 78 -15.052 -27.671 7.784 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -12.248 -26.600 8.265 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -12.850 -28.222 8.544 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -11.063 -26.209 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -10.861 -27.438 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -14.434 -29.956 6.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -12.034 -29.756 2.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -14.874 -31.658 5.112 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -13.679 -31.563 2.942 1.00 0.00 H new ATOM 1277 N GLY A 79 -14.332 -26.621 10.270 1.00 0.00 N ATOM 1278 CA GLY A 79 -14.578 -25.905 11.554 1.00 0.00 C ATOM 1279 C GLY A 79 -13.865 -24.551 11.527 1.00 0.00 C ATOM 1280 O GLY A 79 -14.287 -23.631 10.855 1.00 0.00 O ATOM 0 H GLY A 79 -13.927 -27.553 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.648 -25.762 11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.216 -26.502 12.391 1.00 0.00 H new ATOM 1284 N ASP A 80 -12.787 -24.423 12.250 1.00 0.00 N ATOM 1285 CA ASP A 80 -12.050 -23.128 12.262 1.00 0.00 C ATOM 1286 C ASP A 80 -10.942 -23.165 11.208 1.00 0.00 C ATOM 1287 O ASP A 80 -10.645 -24.198 10.642 1.00 0.00 O ATOM 1288 CB ASP A 80 -11.433 -22.903 13.645 1.00 0.00 C ATOM 1289 CG ASP A 80 -10.665 -24.155 14.072 1.00 0.00 C ATOM 1290 OD1 ASP A 80 -9.838 -24.611 13.299 1.00 0.00 O ATOM 1291 OD2 ASP A 80 -10.917 -24.637 15.164 1.00 0.00 O ATOM 0 H ASP A 80 -12.385 -25.158 12.832 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.740 -22.314 12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.763 -22.043 13.620 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.214 -22.678 14.371 1.00 0.00 H new ATOM 1296 N MET A 81 -10.328 -22.045 10.939 1.00 0.00 N ATOM 1297 CA MET A 81 -9.242 -22.019 9.920 1.00 0.00 C ATOM 1298 C MET A 81 -8.248 -20.906 10.260 1.00 0.00 C ATOM 1299 O MET A 81 -8.610 -19.748 10.360 1.00 0.00 O ATOM 1300 CB MET A 81 -9.847 -21.760 8.538 1.00 0.00 C ATOM 1301 CG MET A 81 -8.840 -22.152 7.456 1.00 0.00 C ATOM 1302 SD MET A 81 -8.456 -23.915 7.598 1.00 0.00 S ATOM 1303 CE MET A 81 -7.503 -24.063 6.066 1.00 0.00 C ATOM 0 H MET A 81 -10.532 -21.148 11.380 1.00 0.00 H new ATOM 0 HA MET A 81 -8.724 -22.978 9.916 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.766 -22.334 8.419 1.00 0.00 H new ATOM 0 HB3 MET A 81 -10.113 -20.708 8.438 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.249 -21.936 6.469 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.930 -21.561 7.560 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.000 -24.763 5.395 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.433 -23.087 5.585 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.502 -24.428 6.294 1.00 0.00 H new ATOM 1313 N LYS A 82 -6.999 -21.249 10.436 1.00 0.00 N ATOM 1314 CA LYS A 82 -5.977 -20.215 10.768 1.00 0.00 C ATOM 1315 C LYS A 82 -5.188 -19.858 9.507 1.00 0.00 C ATOM 1316 O LYS A 82 -4.594 -20.709 8.875 1.00 0.00 O ATOM 1317 CB LYS A 82 -5.023 -20.762 11.832 1.00 0.00 C ATOM 1318 CG LYS A 82 -5.544 -20.394 13.223 1.00 0.00 C ATOM 1319 CD LYS A 82 -5.874 -21.670 14.001 1.00 0.00 C ATOM 1320 CE LYS A 82 -5.712 -21.411 15.500 1.00 0.00 C ATOM 1321 NZ LYS A 82 -6.993 -20.887 16.055 1.00 0.00 N ATOM 0 H LYS A 82 -6.643 -22.202 10.364 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.472 -19.323 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.939 -21.845 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.024 -20.351 11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.796 -19.811 13.760 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.433 -19.769 13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.894 -21.987 13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.215 -22.480 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.432 -22.332 16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.909 -20.694 15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.883 -20.711 17.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.242 -19.999 15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.748 -21.586 15.904 1.00 0.00 H new ATOM 1335 N LEU A 83 -5.188 -18.609 9.125 1.00 0.00 N ATOM 1336 CA LEU A 83 -4.454 -18.208 7.901 1.00 0.00 C ATOM 1337 C LEU A 83 -3.499 -17.058 8.223 1.00 0.00 C ATOM 1338 O LEU A 83 -3.655 -16.368 9.206 1.00 0.00 O ATOM 1339 CB LEU A 83 -5.454 -17.734 6.853 1.00 0.00 C ATOM 1340 CG LEU A 83 -6.621 -18.717 6.729 1.00 0.00 C ATOM 1341 CD1 LEU A 83 -6.094 -20.151 6.705 1.00 0.00 C ATOM 1342 CD2 LEU A 83 -7.573 -18.540 7.914 1.00 0.00 C ATOM 0 H LEU A 83 -5.667 -17.851 9.612 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.888 -19.060 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.831 -16.748 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.956 -17.631 5.889 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.157 -18.517 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.930 -20.845 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.425 -20.279 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.550 -20.354 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.402 -19.241 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.037 -18.732 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.959 -17.521 7.922 1.00 0.00 H new ATOM 1354 N TYR A 84 -2.518 -16.838 7.389 1.00 0.00 N ATOM 1355 CA TYR A 84 -1.558 -15.724 7.637 1.00 0.00 C ATOM 1356 C TYR A 84 -1.281 -14.995 6.320 1.00 0.00 C ATOM 1357 O TYR A 84 -1.122 -15.611 5.284 1.00 0.00 O ATOM 1358 CB TYR A 84 -0.247 -16.293 8.187 1.00 0.00 C ATOM 1359 CG TYR A 84 -0.081 -15.879 9.630 1.00 0.00 C ATOM 1360 CD1 TYR A 84 -0.767 -16.566 10.639 1.00 0.00 C ATOM 1361 CD2 TYR A 84 0.759 -14.809 9.958 1.00 0.00 C ATOM 1362 CE1 TYR A 84 -0.613 -16.182 11.976 1.00 0.00 C ATOM 1363 CE2 TYR A 84 0.914 -14.425 11.296 1.00 0.00 C ATOM 1364 CZ TYR A 84 0.228 -15.112 12.305 1.00 0.00 C ATOM 1365 OH TYR A 84 0.380 -14.733 13.623 1.00 0.00 O ATOM 0 H TYR A 84 -2.340 -17.383 6.545 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.984 -15.028 8.360 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.249 -17.380 8.108 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.594 -15.932 7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.415 -17.392 10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.288 -14.279 9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.143 -16.711 12.754 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.562 -13.599 11.549 1.00 0.00 H new ATOM 0 HH TYR A 84 0.043 -13.820 13.742 1.00 0.00 H new ATOM 1375 N LEU A 85 -1.223 -13.689 6.344 1.00 0.00 N ATOM 1376 CA LEU A 85 -0.956 -12.939 5.082 1.00 0.00 C ATOM 1377 C LEU A 85 0.190 -13.620 4.327 1.00 0.00 C ATOM 1378 O LEU A 85 1.170 -14.035 4.912 1.00 0.00 O ATOM 1379 CB LEU A 85 -0.576 -11.495 5.414 1.00 0.00 C ATOM 1380 CG LEU A 85 -1.454 -10.536 4.606 1.00 0.00 C ATOM 1381 CD1 LEU A 85 -2.898 -10.604 5.113 1.00 0.00 C ATOM 1382 CD2 LEU A 85 -0.928 -9.109 4.769 1.00 0.00 C ATOM 0 H LEU A 85 -1.348 -13.113 7.177 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.850 -12.936 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.704 -11.310 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.476 -11.323 5.184 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.427 -10.822 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.519 -9.920 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.276 -11.620 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.928 -10.320 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.551 -8.424 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.956 -8.829 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.099 -9.056 4.407 1.00 0.00 H new ATOM 1394 N LYS A 86 0.070 -13.750 3.032 1.00 0.00 N ATOM 1395 CA LYS A 86 1.146 -14.421 2.245 1.00 0.00 C ATOM 1396 C LYS A 86 2.317 -13.460 2.016 1.00 0.00 C ATOM 1397 O LYS A 86 3.462 -13.814 2.206 1.00 0.00 O ATOM 1398 CB LYS A 86 0.584 -14.864 0.893 1.00 0.00 C ATOM 1399 CG LYS A 86 1.684 -15.560 0.088 1.00 0.00 C ATOM 1400 CD LYS A 86 1.518 -15.227 -1.396 1.00 0.00 C ATOM 1401 CE LYS A 86 0.898 -16.422 -2.122 1.00 0.00 C ATOM 1402 NZ LYS A 86 1.903 -17.517 -2.224 1.00 0.00 N ATOM 0 H LYS A 86 -0.726 -13.421 2.486 1.00 0.00 H new ATOM 0 HA LYS A 86 1.503 -15.287 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.257 -15.541 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.206 -14.002 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.665 -15.237 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.632 -16.638 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.884 -14.348 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.485 -14.983 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.017 -16.771 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.566 -16.125 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.683 -18.115 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.852 -17.108 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.876 -18.094 -1.359 1.00 0.00 H new ATOM 1416 N LEU A 87 2.044 -12.254 1.604 1.00 0.00 N ATOM 1417 CA LEU A 87 3.151 -11.284 1.360 1.00 0.00 C ATOM 1418 C LEU A 87 4.062 -11.206 2.585 1.00 0.00 C ATOM 1419 O LEU A 87 5.245 -11.471 2.514 1.00 0.00 O ATOM 1420 CB LEU A 87 2.575 -9.893 1.082 1.00 0.00 C ATOM 1421 CG LEU A 87 1.237 -9.719 1.804 1.00 0.00 C ATOM 1422 CD1 LEU A 87 1.193 -8.344 2.473 1.00 0.00 C ATOM 1423 CD2 LEU A 87 0.095 -9.829 0.791 1.00 0.00 C ATOM 0 H LEU A 87 1.105 -11.897 1.426 1.00 0.00 H new ATOM 0 HA LEU A 87 3.725 -11.624 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.277 -9.128 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.438 -9.756 0.009 1.00 0.00 H new ATOM 0 HG LEU A 87 1.129 -10.495 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.240 -8.220 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.007 -8.264 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.300 -7.567 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.859 -9.705 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.204 -9.052 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.126 -10.808 0.313 1.00 0.00 H new ATOM 1435 N GLN A 88 3.517 -10.831 3.704 1.00 0.00 N ATOM 1436 CA GLN A 88 4.340 -10.717 4.941 1.00 0.00 C ATOM 1437 C GLN A 88 4.967 -12.071 5.263 1.00 0.00 C ATOM 1438 O GLN A 88 6.098 -12.155 5.700 1.00 0.00 O ATOM 1439 CB GLN A 88 3.450 -10.275 6.105 1.00 0.00 C ATOM 1440 CG GLN A 88 3.996 -8.976 6.700 1.00 0.00 C ATOM 1441 CD GLN A 88 3.002 -7.841 6.447 1.00 0.00 C ATOM 1442 OE1 GLN A 88 2.094 -7.629 7.226 1.00 0.00 O ATOM 1443 NE2 GLN A 88 3.135 -7.098 5.383 1.00 0.00 N ATOM 0 H GLN A 88 2.531 -10.596 3.818 1.00 0.00 H new ATOM 0 HA GLN A 88 5.129 -9.981 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.427 -10.127 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.419 -11.052 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.163 -9.096 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.960 -8.736 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.897 -7.276 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.477 -6.339 5.205 1.00 0.00 H new ATOM 1452 N ILE A 89 4.246 -13.133 5.042 1.00 0.00 N ATOM 1453 CA ILE A 89 4.807 -14.481 5.325 1.00 0.00 C ATOM 1454 C ILE A 89 6.053 -14.688 4.461 1.00 0.00 C ATOM 1455 O ILE A 89 6.966 -15.399 4.830 1.00 0.00 O ATOM 1456 CB ILE A 89 3.756 -15.548 4.996 1.00 0.00 C ATOM 1457 CG1 ILE A 89 2.786 -15.678 6.171 1.00 0.00 C ATOM 1458 CG2 ILE A 89 4.436 -16.898 4.752 1.00 0.00 C ATOM 1459 CD1 ILE A 89 3.505 -16.326 7.354 1.00 0.00 C ATOM 0 H ILE A 89 3.293 -13.126 4.678 1.00 0.00 H new ATOM 0 HA ILE A 89 5.077 -14.563 6.378 1.00 0.00 H new ATOM 0 HB ILE A 89 3.215 -15.252 4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.408 -14.696 6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.925 -16.280 5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.681 -17.649 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.130 -16.810 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.982 -17.198 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.815 -16.419 8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.862 -17.315 7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.352 -15.707 7.649 1.00 0.00 H new ATOM 1471 N VAL A 90 6.094 -14.070 3.314 1.00 0.00 N ATOM 1472 CA VAL A 90 7.280 -14.230 2.426 1.00 0.00 C ATOM 1473 C VAL A 90 8.429 -13.385 2.970 1.00 0.00 C ATOM 1474 O VAL A 90 9.572 -13.800 2.987 1.00 0.00 O ATOM 1475 CB VAL A 90 6.925 -13.754 1.018 1.00 0.00 C ATOM 1476 CG1 VAL A 90 8.074 -14.082 0.062 1.00 0.00 C ATOM 1477 CG2 VAL A 90 5.652 -14.460 0.546 1.00 0.00 C ATOM 0 H VAL A 90 5.359 -13.462 2.953 1.00 0.00 H new ATOM 0 HA VAL A 90 7.577 -15.278 2.393 1.00 0.00 H new ATOM 0 HB VAL A 90 6.760 -12.677 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.820 -13.742 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.981 -13.579 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.240 -15.159 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.399 -14.120 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.817 -15.537 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.833 -14.226 1.226 1.00 0.00 H new ATOM 1487 N LYS A 91 8.128 -12.199 3.418 1.00 0.00 N ATOM 1488 CA LYS A 91 9.195 -11.316 3.965 1.00 0.00 C ATOM 1489 C LYS A 91 9.905 -12.034 5.112 1.00 0.00 C ATOM 1490 O LYS A 91 11.085 -11.852 5.337 1.00 0.00 O ATOM 1491 CB LYS A 91 8.569 -10.019 4.483 1.00 0.00 C ATOM 1492 CG LYS A 91 9.413 -8.827 4.025 1.00 0.00 C ATOM 1493 CD LYS A 91 10.208 -8.278 5.210 1.00 0.00 C ATOM 1494 CE LYS A 91 10.798 -6.915 4.843 1.00 0.00 C ATOM 1495 NZ LYS A 91 10.267 -5.877 5.771 1.00 0.00 N ATOM 0 H LYS A 91 7.188 -11.802 3.429 1.00 0.00 H new ATOM 0 HA LYS A 91 9.914 -11.082 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.549 -9.921 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.510 -10.040 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.092 -9.133 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.770 -8.049 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.561 -8.183 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.006 -8.971 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.886 -6.950 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.544 -6.662 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.668 -4.950 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.231 -5.838 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.531 -6.117 6.748 1.00 0.00 H new ATOM 1509 N ARG A 92 9.195 -12.852 5.839 1.00 0.00 N ATOM 1510 CA ARG A 92 9.830 -13.582 6.970 1.00 0.00 C ATOM 1511 C ARG A 92 10.600 -14.791 6.433 1.00 0.00 C ATOM 1512 O ARG A 92 11.742 -15.010 6.778 1.00 0.00 O ATOM 1513 CB ARG A 92 8.751 -14.055 7.947 1.00 0.00 C ATOM 1514 CG ARG A 92 9.255 -13.888 9.382 1.00 0.00 C ATOM 1515 CD ARG A 92 8.733 -12.570 9.959 1.00 0.00 C ATOM 1516 NE ARG A 92 9.781 -11.519 9.826 1.00 0.00 N ATOM 1517 CZ ARG A 92 9.437 -10.276 9.626 1.00 0.00 C ATOM 1518 NH1 ARG A 92 8.782 -9.946 8.547 1.00 0.00 N ATOM 1519 NH2 ARG A 92 9.749 -9.363 10.505 1.00 0.00 N ATOM 0 H ARG A 92 8.204 -13.046 5.698 1.00 0.00 H new ATOM 0 HA ARG A 92 10.519 -12.915 7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.836 -13.480 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.505 -15.099 7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.919 -14.724 9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.345 -13.898 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.828 -12.264 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.465 -12.701 11.007 1.00 0.00 H new ATOM 0 HE ARG A 92 10.767 -11.771 9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.539 -10.659 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.513 -8.975 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.262 -9.621 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.480 -8.392 10.349 1.00 0.00 H new ATOM 1533 N SER A 93 9.987 -15.578 5.588 1.00 0.00 N ATOM 1534 CA SER A 93 10.695 -16.769 5.035 1.00 0.00 C ATOM 1535 C SER A 93 12.113 -16.367 4.621 1.00 0.00 C ATOM 1536 O SER A 93 13.051 -17.129 4.760 1.00 0.00 O ATOM 1537 CB SER A 93 9.935 -17.301 3.819 1.00 0.00 C ATOM 1538 OG SER A 93 9.878 -18.720 3.885 1.00 0.00 O ATOM 0 H SER A 93 9.031 -15.448 5.258 1.00 0.00 H new ATOM 0 HA SER A 93 10.744 -17.549 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.927 -16.886 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.431 -16.988 2.900 1.00 0.00 H new ATOM 0 HG SER A 93 8.975 -19.022 3.653 1.00 0.00 H new ATOM 1544 N LEU A 94 12.281 -15.175 4.117 1.00 0.00 N ATOM 1545 CA LEU A 94 13.634 -14.728 3.704 1.00 0.00 C ATOM 1546 C LEU A 94 14.398 -14.245 4.934 1.00 0.00 C ATOM 1547 O LEU A 94 15.506 -14.663 5.197 1.00 0.00 O ATOM 1548 CB LEU A 94 13.504 -13.579 2.708 1.00 0.00 C ATOM 1549 CG LEU A 94 12.554 -13.942 1.554 1.00 0.00 C ATOM 1550 CD1 LEU A 94 13.157 -13.442 0.246 1.00 0.00 C ATOM 1551 CD2 LEU A 94 12.349 -15.461 1.446 1.00 0.00 C ATOM 0 H LEU A 94 11.536 -14.493 3.975 1.00 0.00 H new ATOM 0 HA LEU A 94 14.169 -15.556 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.134 -12.691 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.487 -13.329 2.308 1.00 0.00 H new ATOM 0 HG LEU A 94 11.588 -13.476 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 94 12.492 -13.693 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.284 -12.360 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.127 -13.914 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.672 -15.679 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 94 13.309 -15.946 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.921 -15.837 2.375 1.00 0.00 H new ATOM 1563 N GLU A 95 13.809 -13.364 5.688 1.00 0.00 N ATOM 1564 CA GLU A 95 14.496 -12.852 6.908 1.00 0.00 C ATOM 1565 C GLU A 95 15.179 -14.018 7.629 1.00 0.00 C ATOM 1566 O GLU A 95 16.208 -13.861 8.254 1.00 0.00 O ATOM 1567 CB GLU A 95 13.466 -12.207 7.838 1.00 0.00 C ATOM 1568 CG GLU A 95 13.599 -10.685 7.767 1.00 0.00 C ATOM 1569 CD GLU A 95 12.842 -10.050 8.935 1.00 0.00 C ATOM 1570 OE1 GLU A 95 13.064 -10.470 10.058 1.00 0.00 O ATOM 1571 OE2 GLU A 95 12.052 -9.154 8.685 1.00 0.00 O ATOM 0 H GLU A 95 12.882 -12.975 5.515 1.00 0.00 H new ATOM 0 HA GLU A 95 15.243 -12.110 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.459 -12.509 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.620 -12.549 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.650 -10.399 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.202 -10.319 6.820 1.00 0.00 H new ATOM 1578 N VAL A 96 14.615 -15.192 7.529 1.00 0.00 N ATOM 1579 CA VAL A 96 15.234 -16.383 8.192 1.00 0.00 C ATOM 1580 C VAL A 96 16.270 -17.003 7.253 1.00 0.00 C ATOM 1581 O VAL A 96 17.462 -16.877 7.453 1.00 0.00 O ATOM 1582 CB VAL A 96 14.177 -17.450 8.536 1.00 0.00 C ATOM 1583 CG1 VAL A 96 13.990 -17.513 10.051 1.00 0.00 C ATOM 1584 CG2 VAL A 96 12.835 -17.119 7.879 1.00 0.00 C ATOM 0 H VAL A 96 13.753 -15.381 7.018 1.00 0.00 H new ATOM 0 HA VAL A 96 15.703 -16.047 9.117 1.00 0.00 H new ATOM 0 HB VAL A 96 14.524 -18.412 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.242 -18.268 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.937 -17.774 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.658 -16.542 10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.105 -17.886 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.484 -16.150 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.959 -17.084 6.797 1.00 0.00 H new ATOM 1594 N TRP A 97 15.820 -17.678 6.229 1.00 0.00 N ATOM 1595 CA TRP A 97 16.760 -18.315 5.275 1.00 0.00 C ATOM 1596 C TRP A 97 17.176 -17.295 4.223 1.00 0.00 C ATOM 1597 O TRP A 97 18.311 -17.255 3.792 1.00 0.00 O ATOM 1598 CB TRP A 97 16.053 -19.492 4.615 1.00 0.00 C ATOM 1599 CG TRP A 97 15.504 -20.385 5.680 1.00 0.00 C ATOM 1600 CD1 TRP A 97 14.372 -20.155 6.386 1.00 0.00 C ATOM 1601 CD2 TRP A 97 16.052 -21.635 6.181 1.00 0.00 C ATOM 1602 NE1 TRP A 97 14.183 -21.194 7.276 1.00 0.00 N ATOM 1603 CE2 TRP A 97 15.197 -22.130 7.193 1.00 0.00 C ATOM 1604 CE3 TRP A 97 17.196 -22.380 5.854 1.00 0.00 C ATOM 1605 CZ2 TRP A 97 15.471 -23.326 7.859 1.00 0.00 C ATOM 1606 CZ3 TRP A 97 17.476 -23.583 6.521 1.00 0.00 C ATOM 1607 CH2 TRP A 97 16.615 -24.055 7.522 1.00 0.00 C ATOM 0 H TRP A 97 14.832 -17.814 6.015 1.00 0.00 H new ATOM 0 HA TRP A 97 17.651 -18.668 5.794 1.00 0.00 H new ATOM 0 HB2 TRP A 97 15.249 -19.136 3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 97 16.749 -20.043 3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.723 -19.299 6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 97 13.392 -21.262 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 97 17.865 -22.025 5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 14.804 -23.685 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 18.359 -24.148 6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 97 16.836 -24.981 8.032 1.00 0.00 H new ATOM 1618 N GLY A 98 16.267 -16.458 3.821 1.00 0.00 N ATOM 1619 CA GLY A 98 16.609 -15.420 2.811 1.00 0.00 C ATOM 1620 C GLY A 98 15.879 -15.693 1.496 1.00 0.00 C ATOM 1621 O GLY A 98 15.874 -14.869 0.603 1.00 0.00 O ATOM 0 H GLY A 98 15.301 -16.446 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.337 -14.434 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.686 -15.410 2.641 1.00 0.00 H new ATOM 1625 N SER A 99 15.264 -16.836 1.355 1.00 0.00 N ATOM 1626 CA SER A 99 14.551 -17.124 0.078 1.00 0.00 C ATOM 1627 C SER A 99 13.790 -18.441 0.182 1.00 0.00 C ATOM 1628 O SER A 99 14.207 -19.362 0.855 1.00 0.00 O ATOM 1629 CB SER A 99 15.569 -17.218 -1.059 1.00 0.00 C ATOM 1630 OG SER A 99 14.888 -17.164 -2.305 1.00 0.00 O ATOM 0 H SER A 99 15.224 -17.574 2.058 1.00 0.00 H new ATOM 0 HA SER A 99 13.843 -16.320 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.287 -16.401 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.134 -18.147 -0.980 1.00 0.00 H new ATOM 0 HG SER A 99 15.538 -17.222 -3.036 1.00 0.00 H new ATOM 1636 N GLN A 100 12.680 -18.543 -0.496 1.00 0.00 N ATOM 1637 CA GLN A 100 11.903 -19.808 -0.455 1.00 0.00 C ATOM 1638 C GLN A 100 12.740 -20.906 -1.107 1.00 0.00 C ATOM 1639 O GLN A 100 12.457 -22.081 -0.975 1.00 0.00 O ATOM 1640 CB GLN A 100 10.592 -19.633 -1.227 1.00 0.00 C ATOM 1641 CG GLN A 100 9.551 -18.968 -0.324 1.00 0.00 C ATOM 1642 CD GLN A 100 8.706 -17.996 -1.149 1.00 0.00 C ATOM 1643 OE1 GLN A 100 8.322 -16.948 -0.669 1.00 0.00 O ATOM 1644 NE2 GLN A 100 8.399 -18.301 -2.380 1.00 0.00 N ATOM 0 H GLN A 100 12.280 -17.805 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 100 11.671 -20.074 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.760 -19.024 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.227 -20.602 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.913 -19.725 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.046 -18.437 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.721 -19.181 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.837 -17.660 -2.939 1.00 0.00 H new ATOM 1653 N GLU A 101 13.779 -20.529 -1.806 1.00 0.00 N ATOM 1654 CA GLU A 101 14.646 -21.549 -2.461 1.00 0.00 C ATOM 1655 C GLU A 101 15.678 -22.038 -1.451 1.00 0.00 C ATOM 1656 O GLU A 101 16.182 -23.140 -1.540 1.00 0.00 O ATOM 1657 CB GLU A 101 15.353 -20.930 -3.669 1.00 0.00 C ATOM 1658 CG GLU A 101 16.297 -21.960 -4.293 1.00 0.00 C ATOM 1659 CD GLU A 101 15.654 -22.544 -5.552 1.00 0.00 C ATOM 1660 OE1 GLU A 101 15.114 -21.775 -6.330 1.00 0.00 O ATOM 1661 OE2 GLU A 101 15.713 -23.752 -5.718 1.00 0.00 O ATOM 0 H GLU A 101 14.063 -19.560 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 101 14.038 -22.387 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.619 -20.602 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.913 -20.047 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.250 -21.492 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.509 -22.755 -3.578 1.00 0.00 H new ATOM 1668 N ALA A 102 15.968 -21.236 -0.470 1.00 0.00 N ATOM 1669 CA ALA A 102 16.934 -21.655 0.576 1.00 0.00 C ATOM 1670 C ALA A 102 16.185 -22.572 1.532 1.00 0.00 C ATOM 1671 O ALA A 102 16.761 -23.386 2.227 1.00 0.00 O ATOM 1672 CB ALA A 102 17.450 -20.427 1.330 1.00 0.00 C ATOM 0 H ALA A 102 15.575 -20.303 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 102 17.789 -22.167 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.159 -20.742 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.946 -19.753 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.613 -19.910 1.800 1.00 0.00 H new ATOM 1678 N LEU A 103 14.886 -22.451 1.543 1.00 0.00 N ATOM 1679 CA LEU A 103 14.051 -23.308 2.412 1.00 0.00 C ATOM 1680 C LEU A 103 13.878 -24.645 1.727 1.00 0.00 C ATOM 1681 O LEU A 103 14.253 -25.678 2.234 1.00 0.00 O ATOM 1682 CB LEU A 103 12.683 -22.665 2.564 1.00 0.00 C ATOM 1683 CG LEU A 103 12.778 -21.520 3.552 1.00 0.00 C ATOM 1684 CD1 LEU A 103 11.481 -20.725 3.517 1.00 0.00 C ATOM 1685 CD2 LEU A 103 12.989 -22.094 4.945 1.00 0.00 C ATOM 0 H LEU A 103 14.366 -21.782 0.975 1.00 0.00 H new ATOM 0 HA LEU A 103 14.519 -23.431 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 103 12.330 -22.300 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.958 -23.401 2.911 1.00 0.00 H new ATOM 0 HG LEU A 103 13.610 -20.865 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.541 -19.899 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.323 -20.331 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.649 -21.375 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 103 13.059 -21.280 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.149 -22.738 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.911 -22.676 4.963 1.00 0.00 H new ATOM 1697 N GLU A 104 13.311 -24.617 0.562 1.00 0.00 N ATOM 1698 CA GLU A 104 13.108 -25.884 -0.191 1.00 0.00 C ATOM 1699 C GLU A 104 14.433 -26.647 -0.231 1.00 0.00 C ATOM 1700 O GLU A 104 14.469 -27.862 -0.174 1.00 0.00 O ATOM 1701 CB GLU A 104 12.654 -25.566 -1.617 1.00 0.00 C ATOM 1702 CG GLU A 104 13.711 -24.706 -2.312 1.00 0.00 C ATOM 1703 CD GLU A 104 14.715 -25.611 -3.029 1.00 0.00 C ATOM 1704 OE1 GLU A 104 14.298 -26.641 -3.533 1.00 0.00 O ATOM 1705 OE2 GLU A 104 15.882 -25.258 -3.062 1.00 0.00 O ATOM 0 H GLU A 104 12.978 -23.774 0.095 1.00 0.00 H new ATOM 0 HA GLU A 104 12.345 -26.490 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.498 -26.490 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.699 -25.041 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.236 -24.034 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.225 -24.082 -1.581 1.00 0.00 H new ATOM 1712 N GLU A 105 15.525 -25.937 -0.320 1.00 0.00 N ATOM 1713 CA GLU A 105 16.853 -26.610 -0.360 1.00 0.00 C ATOM 1714 C GLU A 105 17.241 -27.064 1.047 1.00 0.00 C ATOM 1715 O GLU A 105 17.900 -28.068 1.224 1.00 0.00 O ATOM 1716 CB GLU A 105 17.904 -25.632 -0.888 1.00 0.00 C ATOM 1717 CG GLU A 105 19.263 -26.332 -0.958 1.00 0.00 C ATOM 1718 CD GLU A 105 20.247 -25.461 -1.741 1.00 0.00 C ATOM 1719 OE1 GLU A 105 20.254 -25.556 -2.957 1.00 0.00 O ATOM 1720 OE2 GLU A 105 20.976 -24.713 -1.111 1.00 0.00 O ATOM 0 H GLU A 105 15.554 -24.918 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 105 16.799 -27.477 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.617 -25.272 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.965 -24.760 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.642 -26.514 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.159 -27.304 -1.440 1.00 0.00 H new ATOM 1727 N ALA A 106 16.843 -26.332 2.050 1.00 0.00 N ATOM 1728 CA ALA A 106 17.198 -26.726 3.443 1.00 0.00 C ATOM 1729 C ALA A 106 16.458 -28.012 3.830 1.00 0.00 C ATOM 1730 O ALA A 106 16.945 -28.808 4.608 1.00 0.00 O ATOM 1731 CB ALA A 106 16.801 -25.604 4.402 1.00 0.00 C ATOM 0 H ALA A 106 16.289 -25.480 1.966 1.00 0.00 H new ATOM 0 HA ALA A 106 18.272 -26.901 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 106 17.059 -25.889 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 106 17.333 -24.691 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.727 -25.431 4.335 1.00 0.00 H new ATOM 1737 N LYS A 107 15.284 -28.217 3.300 1.00 0.00 N ATOM 1738 CA LYS A 107 14.510 -29.444 3.642 1.00 0.00 C ATOM 1739 C LYS A 107 14.940 -30.603 2.738 1.00 0.00 C ATOM 1740 O LYS A 107 14.830 -31.757 3.103 1.00 0.00 O ATOM 1741 CB LYS A 107 13.017 -29.174 3.445 1.00 0.00 C ATOM 1742 CG LYS A 107 12.214 -30.394 3.897 1.00 0.00 C ATOM 1743 CD LYS A 107 10.734 -30.021 4.002 1.00 0.00 C ATOM 1744 CE LYS A 107 9.965 -30.650 2.839 1.00 0.00 C ATOM 1745 NZ LYS A 107 8.524 -30.283 2.941 1.00 0.00 N ATOM 0 H LYS A 107 14.826 -27.586 2.643 1.00 0.00 H new ATOM 0 HA LYS A 107 14.703 -29.710 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.717 -28.296 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.811 -28.958 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.344 -31.211 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.580 -30.747 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.327 -30.369 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.619 -28.937 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.373 -30.304 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.078 -31.734 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.000 -30.710 2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.139 -30.634 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.426 -29.248 2.902 1.00 0.00 H new ATOM 1759 N GLU A 108 15.427 -30.312 1.563 1.00 0.00 N ATOM 1760 CA GLU A 108 15.859 -31.409 0.649 1.00 0.00 C ATOM 1761 C GLU A 108 17.293 -31.809 0.994 1.00 0.00 C ATOM 1762 O GLU A 108 17.736 -32.901 0.702 1.00 0.00 O ATOM 1763 CB GLU A 108 15.794 -30.925 -0.802 1.00 0.00 C ATOM 1764 CG GLU A 108 16.944 -29.953 -1.072 1.00 0.00 C ATOM 1765 CD GLU A 108 16.760 -29.311 -2.448 1.00 0.00 C ATOM 1766 OE1 GLU A 108 15.678 -29.436 -2.998 1.00 0.00 O ATOM 1767 OE2 GLU A 108 17.704 -28.705 -2.929 1.00 0.00 O ATOM 0 H GLU A 108 15.544 -29.367 1.197 1.00 0.00 H new ATOM 0 HA GLU A 108 15.199 -32.268 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.856 -31.775 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 108 14.839 -30.435 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.972 -29.183 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.897 -30.480 -1.030 1.00 0.00 H new ATOM 1774 N VAL A 109 18.016 -30.924 1.618 1.00 0.00 N ATOM 1775 CA VAL A 109 19.421 -31.228 1.995 1.00 0.00 C ATOM 1776 C VAL A 109 19.435 -31.965 3.330 1.00 0.00 C ATOM 1777 O VAL A 109 20.127 -32.947 3.509 1.00 0.00 O ATOM 1778 CB VAL A 109 20.183 -29.912 2.130 1.00 0.00 C ATOM 1779 CG1 VAL A 109 19.723 -29.174 3.388 1.00 0.00 C ATOM 1780 CG2 VAL A 109 21.685 -30.193 2.217 1.00 0.00 C ATOM 0 H VAL A 109 17.690 -29.995 1.885 1.00 0.00 H new ATOM 0 HA VAL A 109 19.889 -31.853 1.234 1.00 0.00 H new ATOM 0 HB VAL A 109 19.983 -29.291 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 109 20.270 -28.236 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 109 18.655 -28.966 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 109 19.916 -29.793 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 109 22.226 -29.252 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 109 21.888 -30.819 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 109 22.012 -30.709 1.314 1.00 0.00 H new ATOM 1790 N ARG A 110 18.670 -31.491 4.267 1.00 0.00 N ATOM 1791 CA ARG A 110 18.623 -32.148 5.603 1.00 0.00 C ATOM 1792 C ARG A 110 17.910 -33.497 5.484 1.00 0.00 C ATOM 1793 O ARG A 110 17.397 -33.849 4.440 1.00 0.00 O ATOM 1794 CB ARG A 110 17.862 -31.254 6.585 1.00 0.00 C ATOM 1795 CG ARG A 110 18.654 -29.967 6.822 1.00 0.00 C ATOM 1796 CD ARG A 110 17.917 -29.094 7.839 1.00 0.00 C ATOM 1797 NE ARG A 110 18.636 -29.136 9.143 1.00 0.00 N ATOM 1798 CZ ARG A 110 18.655 -28.082 9.912 1.00 0.00 C ATOM 1799 NH1 ARG A 110 17.535 -27.523 10.281 1.00 0.00 N ATOM 1800 NH2 ARG A 110 19.795 -27.587 10.312 1.00 0.00 N ATOM 0 H ARG A 110 18.070 -30.672 4.167 1.00 0.00 H new ATOM 0 HA ARG A 110 19.639 -32.305 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 110 16.875 -31.018 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 110 17.710 -31.779 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 110 19.653 -30.204 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 110 18.778 -29.426 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 110 17.857 -28.067 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 110 16.894 -29.448 7.964 1.00 0.00 H new ATOM 0 HE ARG A 110 19.114 -29.989 9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 110 16.645 -27.910 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.550 -26.699 10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 110 20.670 -28.024 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 110 19.810 -26.763 10.913 1.00 0.00 H new ATOM 1814 N GLN A 111 17.873 -34.254 6.546 1.00 0.00 N ATOM 1815 CA GLN A 111 17.193 -35.579 6.494 1.00 0.00 C ATOM 1816 C GLN A 111 15.692 -35.392 6.724 1.00 0.00 C ATOM 1817 O GLN A 111 14.925 -35.835 5.886 1.00 0.00 O ATOM 1818 CB GLN A 111 17.766 -36.490 7.582 1.00 0.00 C ATOM 1819 CG GLN A 111 17.317 -37.931 7.332 1.00 0.00 C ATOM 1820 CD GLN A 111 17.712 -38.803 8.525 1.00 0.00 C ATOM 1821 OE1 GLN A 111 18.811 -39.320 8.577 1.00 0.00 O ATOM 1822 NE2 GLN A 111 16.857 -38.991 9.492 1.00 0.00 N ATOM 1823 OXT GLN A 111 15.336 -34.809 7.735 1.00 0.00 O ATOM 0 H GLN A 111 18.284 -34.012 7.448 1.00 0.00 H new ATOM 0 HA GLN A 111 17.357 -36.033 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 111 18.854 -36.432 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 111 17.428 -36.158 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.238 -37.966 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.777 -38.313 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 111 15.935 -38.557 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.111 -39.572 10.291 1.00 0.00 H new TER 1832 GLN A 111 HETATM 1833 ZN ZN A 112 0.000 0.000 0.000 1.00 0.00 ZN CONECT 128 1833 CONECT 168 1833 CONECT 447 1833 CONECT 481 1833 CONECT 1833 128 168 447 481 END