USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) HEADER TRANSFERASE 12-AUG-07 2JU2 TITLE MINIMIZED MEAN SOLUTION STRUCTURE OF THE ACYL CARRIER TITLE 2 PROTEIN DOMAIN FROM MODULE 2 OF 6-DEOXYERYTHRONOLIDE B TITLE 3 SYNTHASE (DEBS) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ERYTHRONOLIDE SYNTHASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ACYL CARRIER PROTEIN DOMAIN; COMPND 5 SYNONYM: ORF 1, 6-DEOXYERYTHRONOLIDE B SYNTHASE I, DEBS 1; COMPND 6 EC: 2.3.1.94; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; SOURCE 3 ORGANISM_TAXID: 1836; SOURCE 4 GENE: ERYA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28(A); SOURCE 0 OTHER_DETAILS: STOP CODON AT THE C-TERMINUS, BEFORE THE C- SOURCE 1 TERMINAL HIS-TAG PRESENT IN THE EXPRESSION VECTOR PLASMID KEYWDS CARRIER PROTEIN DOMAIN, MODULAR POLYKETIDE SYNTHASE, ALPHA- KEYWDS 2 HELICAL BUNDLE, ACYLTRANSFERASE, ANTIBIOTIC BIOSYNTHESIS, KEYWDS 3 MULTIFUNCTIONAL ENZYME, NADP, PHOSPHOPANTETHEINE, KEYWDS 4 TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR V.Y.ALEKSEYEV,C.W.LIU,J.D.PUGLISI,C.KHOSLA REVDAT 2 24-FEB-09 2JU2 1 VERSN REVDAT 1 02-OCT-07 2JU2 0 JRNL AUTH V.Y.ALEKSEYEV,C.W.LIU,D.E.CANE,J.D.PUGLISI,C.KHOSLA JRNL TITL SOLUTION STRUCTURE AND PROPOSED DOMAIN DOMAIN JRNL TITL 2 RECOGNITION INTERFACE OF AN ACYL CARRIER PROTEIN JRNL TITL 3 DOMAIN FROM A MODULAR POLYKETIDE SYNTHASE. JRNL REF PROTEIN SCI. V. 16 2093 2007 JRNL REFN ISSN 0961-8368 JRNL PMID 17893358 JRNL DOI 10.1110/PS.073011407 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUNTERT, P. ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STANDARD SIMULATED ANNEALING REMARK 3 PROTOCOL INCLUDED AS PART OF DYANA SOFTWARE WAS USED TO REMARK 3 CALCULATE A TOTAL OF 50 STRUCTURES, OF WHICH 30 STRUCTURES REMARK 3 WITH THE LOWEST TARGET FUNCTION VALUES WERE CHOSEN FOR THE REMARK 3 SOLUTION STRUCTURE ENSEMBLE. THE HELICAL REGIONS OF THESE 30 REMARK 3 STRUCTURES WERE SUPERIMPOSED AND THE MEAN STRUCTURE WAS REMARK 3 OBTAINED USING MOLMOL SOFTWARE, THEN SUBJECTED TO THE STANDARD REMARK 3 VARIABLE TARGET FUNCTION MINIMIZATION IMPLEMENTED IN DYANA. REMARK 3 THE RESULTING MINIMIZED MEAN STRUCTURE IS DEPOSITED HERE. THE REMARK 3 ENSEMBLE OF 30 STRUCTURES IS DEPOSITED IN THE PDB ENTRY 2JU1. REMARK 4 REMARK 4 2JU2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-AUG-07. REMARK 100 THE RCSB ID CODE IS RCSB100290. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 30 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.8-1 MM [U-13C; U-15N] ACYL REMARK 210 CARRIER PROTEIN, 0.05 % SODIUM REMARK 210 AZIDE, 30 MM SODIUM PHOSPHATE, REMARK 210 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 1H-15N NOESY, 3D 1H-13C/ REMARK 210 15N NOESY, 3D HCCH-TOCSY, 3D REMARK 210 HNHA, 2D 1H-15N HSQC, 3D REMARK 210 HNCACB, 3D C(CO)NH REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 HIS A 3 -65.32 71.74 REMARK 500 MET A 4 38.75 -88.41 REMARK 500 ALA A 10 34.68 -85.40 REMARK 500 LEU A 12 86.21 30.60 REMARK 500 ALA A 15 -70.26 -42.35 REMARK 500 ASP A 36 55.10 -114.92 REMARK 500 ALA A 40 41.13 -93.13 REMARK 500 ASP A 53 -60.86 -137.64 REMARK 500 SER A 54 -61.48 -144.72 REMARK 500 LEU A 60 -76.25 -55.26 REMARK 500 THR A 68 -73.31 -112.55 REMARK 500 LEU A 72 160.59 -44.83 REMARK 500 SER A 84 -39.69 -36.64 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2JU1 RELATED DB: PDB REMARK 900 ENSEMBLE OF 30 STRUCTURES OF THE ACYL CARRIER PROTEIN REMARK 900 DOMAIN FROM MODULE 2 OF THE 6-DEOXYERYTHRONOLIDE B SYNTHASE REMARK 900 (DEBS) DBREF 2JU2 A 5 95 UNP Q03131 ERYA1_SACER 3318 3408 SEQADV 2JU2 GLY A 1 UNP Q03131 EXPRESSION TAG SEQADV 2JU2 SER A 2 UNP Q03131 EXPRESSION TAG SEQADV 2JU2 HIS A 3 UNP Q03131 EXPRESSION TAG SEQADV 2JU2 MET A 4 UNP Q03131 EXPRESSION TAG SEQRES 1 A 95 GLY SER HIS MET LEU ARG ASP ARG LEU ALA GLY LEU PRO SEQRES 2 A 95 ARG ALA GLU ARG THR ALA GLU LEU VAL ARG LEU VAL ARG SEQRES 3 A 95 THR SER THR ALA THR VAL LEU GLY HIS ASP ASP PRO LYS SEQRES 4 A 95 ALA VAL ARG ALA THR THR PRO PHE LYS GLU LEU GLY PHE SEQRES 5 A 95 ASP SER LEU ALA ALA VAL ARG LEU ARG ASN LEU LEU ASN SEQRES 6 A 95 ALA ALA THR GLY LEU ARG LEU PRO SER THR LEU VAL PHE SEQRES 7 A 95 ASP HIS PRO ASN ALA SER ALA VAL ALA GLY PHE LEU ASP SEQRES 8 A 95 ALA GLU LEU GLY HELIX 1 1 MET A 4 ALA A 10 1 7 HELIX 2 2 PRO A 13 GLY A 34 1 22 HELIX 3 3 ASP A 37 VAL A 41 5 5 HELIX 4 4 PRO A 46 PHE A 52 1 7 HELIX 5 5 SER A 54 GLY A 69 1 16 HELIX 6 6 THR A 75 HIS A 80 1 6 HELIX 7 7 ASN A 82 GLY A 95 1 14 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 3 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 156:sc= -0.174 (180deg=-1.05) USER MOD Single : A 18 THR OG1 : rot 4:sc= 0.09 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -177:sc= -6.44! USER MOD Single : A 29 THR OG1 : rot 100:sc= 0.161 USER MOD Single : A 31 THR OG1 : rot 81:sc= 0.143 USER MOD Single : A 35 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-0.96) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0125 X(o=0.012,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.9! C(o=-3.9!,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 114:sc= -0.0118 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 80 HIS : no HD1:sc= -17! C(o=-17!,f=-19!) USER MOD Single : A 82 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.8) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.020 16.027 -14.275 1.00 0.00 N ATOM 2 CA GLY A 1 2.110 17.408 -13.833 1.00 0.00 C ATOM 3 C GLY A 1 2.634 18.309 -14.953 1.00 0.00 C ATOM 4 O GLY A 1 3.627 17.985 -15.602 1.00 0.00 O ATOM 0 H1 GLY A 1 1.662 15.436 -13.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.371 15.963 -15.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.962 15.691 -14.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.128 17.755 -13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.771 17.475 -12.969 1.00 0.00 H new ATOM 8 N SER A 2 1.943 19.423 -15.145 1.00 0.00 N ATOM 9 CA SER A 2 2.326 20.374 -16.175 1.00 0.00 C ATOM 10 C SER A 2 2.092 21.803 -15.681 1.00 0.00 C ATOM 11 O SER A 2 1.054 22.098 -15.091 1.00 0.00 O ATOM 12 CB SER A 2 1.550 20.126 -17.470 1.00 0.00 C ATOM 13 OG SER A 2 0.141 20.119 -17.255 1.00 0.00 O ATOM 0 H SER A 2 1.120 19.689 -14.604 1.00 0.00 H new ATOM 0 HA SER A 2 3.387 20.239 -16.388 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.802 20.898 -18.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.856 19.172 -17.899 1.00 0.00 H new ATOM 0 HG SER A 2 -0.319 19.959 -18.106 1.00 0.00 H new ATOM 19 N HIS A 3 3.076 22.653 -15.940 1.00 0.00 N ATOM 20 CA HIS A 3 2.989 24.044 -15.531 1.00 0.00 C ATOM 21 C HIS A 3 3.138 24.142 -14.011 1.00 0.00 C ATOM 22 O HIS A 3 4.109 24.711 -13.515 1.00 0.00 O ATOM 23 CB HIS A 3 1.696 24.682 -16.042 1.00 0.00 C ATOM 24 CG HIS A 3 1.471 24.510 -17.525 1.00 0.00 C ATOM 25 ND1 HIS A 3 1.035 23.321 -18.085 1.00 0.00 N ATOM 26 CD2 HIS A 3 1.625 25.387 -18.558 1.00 0.00 C ATOM 27 CE1 HIS A 3 0.936 23.487 -19.395 1.00 0.00 C ATOM 28 NE2 HIS A 3 1.302 24.768 -19.687 1.00 0.00 N ATOM 0 H HIS A 3 3.937 22.405 -16.428 1.00 0.00 H new ATOM 0 HA HIS A 3 3.806 24.610 -15.979 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.852 24.249 -15.504 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.711 25.747 -15.808 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.954 26.412 -18.472 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.621 22.739 -20.107 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.324 25.182 -20.619 1.00 0.00 H new ATOM 36 N MET A 4 2.161 23.579 -13.315 1.00 0.00 N ATOM 37 CA MET A 4 2.172 23.596 -11.862 1.00 0.00 C ATOM 38 C MET A 4 2.928 22.388 -11.305 1.00 0.00 C ATOM 39 O MET A 4 2.523 21.807 -10.300 1.00 0.00 O ATOM 40 CB MET A 4 0.733 23.583 -11.341 1.00 0.00 C ATOM 41 CG MET A 4 0.191 25.006 -11.190 1.00 0.00 C ATOM 42 SD MET A 4 0.448 25.582 -9.521 1.00 0.00 S ATOM 43 CE MET A 4 1.943 26.531 -9.747 1.00 0.00 C ATOM 0 H MET A 4 1.357 23.108 -13.730 1.00 0.00 H new ATOM 0 HA MET A 4 2.680 24.502 -11.531 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.100 23.020 -12.026 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.695 23.072 -10.379 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.691 25.671 -11.894 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.872 25.027 -11.431 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.018 27.284 -8.963 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.806 25.867 -9.696 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.919 27.022 -10.720 1.00 0.00 H new ATOM 53 N LEU A 5 4.014 22.046 -11.983 1.00 0.00 N ATOM 54 CA LEU A 5 4.830 20.918 -11.569 1.00 0.00 C ATOM 55 C LEU A 5 5.231 21.096 -10.103 1.00 0.00 C ATOM 56 O LEU A 5 4.866 20.285 -9.253 1.00 0.00 O ATOM 57 CB LEU A 5 6.020 20.741 -12.515 1.00 0.00 C ATOM 58 CG LEU A 5 5.971 19.518 -13.432 1.00 0.00 C ATOM 59 CD1 LEU A 5 6.260 19.908 -14.883 1.00 0.00 C ATOM 60 CD2 LEU A 5 6.916 18.422 -12.935 1.00 0.00 C ATOM 0 H LEU A 5 4.347 22.531 -12.816 1.00 0.00 H new ATOM 0 HA LEU A 5 4.260 19.991 -11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.101 21.633 -13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.929 20.686 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 5 4.961 19.110 -13.403 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.219 19.020 -15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.515 20.628 -15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.252 20.354 -14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.862 17.564 -13.605 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.937 18.803 -12.915 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.623 18.117 -11.930 1.00 0.00 H new ATOM 72 N ARG A 6 5.977 22.161 -9.852 1.00 0.00 N ATOM 73 CA ARG A 6 6.432 22.456 -8.503 1.00 0.00 C ATOM 74 C ARG A 6 5.329 22.141 -7.491 1.00 0.00 C ATOM 75 O ARG A 6 5.534 21.352 -6.569 1.00 0.00 O ATOM 76 CB ARG A 6 6.836 23.925 -8.367 1.00 0.00 C ATOM 77 CG ARG A 6 8.183 24.188 -9.043 1.00 0.00 C ATOM 78 CD ARG A 6 9.002 25.211 -8.253 1.00 0.00 C ATOM 79 NE ARG A 6 9.757 26.081 -9.182 1.00 0.00 N ATOM 80 CZ ARG A 6 10.068 27.370 -8.928 1.00 0.00 C ATOM 81 NH1 ARG A 6 9.690 27.950 -7.769 1.00 0.00 N ATOM 82 NH2 ARG A 6 10.746 28.055 -9.830 1.00 0.00 N ATOM 0 H ARG A 6 6.278 22.831 -10.560 1.00 0.00 H new ATOM 0 HA ARG A 6 7.303 21.832 -8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.071 24.559 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.896 24.193 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.741 23.255 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.020 24.552 -10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.342 25.816 -7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.691 24.698 -7.582 1.00 0.00 H new ATOM 0 HE ARG A 6 10.062 25.682 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.166 27.414 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.929 28.924 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.027 27.609 -10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.989 29.030 -9.653 1.00 0.00 H new ATOM 95 N ASP A 7 4.183 22.774 -7.696 1.00 0.00 N ATOM 96 CA ASP A 7 3.047 22.570 -6.813 1.00 0.00 C ATOM 97 C ASP A 7 2.771 21.071 -6.681 1.00 0.00 C ATOM 98 O ASP A 7 2.800 20.526 -5.579 1.00 0.00 O ATOM 99 CB ASP A 7 1.788 23.236 -7.373 1.00 0.00 C ATOM 100 CG ASP A 7 0.939 23.983 -6.342 1.00 0.00 C ATOM 101 OD1 ASP A 7 0.776 23.529 -5.200 1.00 0.00 O ATOM 102 OD2 ASP A 7 0.426 25.090 -6.759 1.00 0.00 O ATOM 0 H ASP A 7 4.017 23.428 -8.461 1.00 0.00 H new ATOM 0 HA ASP A 7 3.288 23.011 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.083 23.936 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.170 22.472 -7.845 1.00 0.00 H new ATOM 108 N ARG A 8 2.510 20.448 -7.820 1.00 0.00 N ATOM 109 CA ARG A 8 2.229 19.022 -7.846 1.00 0.00 C ATOM 110 C ARG A 8 3.292 18.258 -7.056 1.00 0.00 C ATOM 111 O ARG A 8 2.966 17.468 -6.171 1.00 0.00 O ATOM 112 CB ARG A 8 2.192 18.494 -9.281 1.00 0.00 C ATOM 113 CG ARG A 8 0.897 17.724 -9.549 1.00 0.00 C ATOM 114 CD ARG A 8 0.129 18.334 -10.723 1.00 0.00 C ATOM 115 NE ARG A 8 -1.328 18.234 -10.482 1.00 0.00 N ATOM 116 CZ ARG A 8 -2.256 18.178 -11.461 1.00 0.00 C ATOM 117 NH1 ARG A 8 -1.885 18.212 -12.759 1.00 0.00 N ATOM 118 NH2 ARG A 8 -3.530 18.090 -11.131 1.00 0.00 N ATOM 0 H ARG A 8 2.487 20.904 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 8 1.251 18.868 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.276 19.326 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.049 17.843 -9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.128 16.681 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.272 17.735 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.414 19.378 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.389 17.817 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.651 18.206 -9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.898 18.280 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.592 18.169 -13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.802 18.065 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.243 18.047 -11.859 1.00 0.00 H new ATOM 131 N LEU A 9 4.544 18.519 -7.403 1.00 0.00 N ATOM 132 CA LEU A 9 5.658 17.865 -6.738 1.00 0.00 C ATOM 133 C LEU A 9 5.540 18.078 -5.227 1.00 0.00 C ATOM 134 O LEU A 9 5.376 17.120 -4.473 1.00 0.00 O ATOM 135 CB LEU A 9 6.988 18.343 -7.324 1.00 0.00 C ATOM 136 CG LEU A 9 7.307 17.864 -8.742 1.00 0.00 C ATOM 137 CD1 LEU A 9 8.573 18.536 -9.276 1.00 0.00 C ATOM 138 CD2 LEU A 9 7.401 16.338 -8.797 1.00 0.00 C ATOM 0 H LEU A 9 4.811 19.175 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 9 5.628 16.790 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.993 19.433 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.791 18.018 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 9 6.486 18.160 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.777 18.178 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.431 19.616 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.415 18.293 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.629 16.024 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.191 15.998 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.451 15.904 -8.487 1.00 0.00 H new ATOM 150 N ALA A 10 5.628 19.339 -4.831 1.00 0.00 N ATOM 151 CA ALA A 10 5.533 19.689 -3.424 1.00 0.00 C ATOM 152 C ALA A 10 4.060 19.840 -3.038 1.00 0.00 C ATOM 153 O ALA A 10 3.715 20.678 -2.207 1.00 0.00 O ATOM 154 CB ALA A 10 6.338 20.964 -3.160 1.00 0.00 C ATOM 0 H ALA A 10 5.764 20.131 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 10 5.957 18.900 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.267 21.227 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.382 20.796 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.938 21.778 -3.765 1.00 0.00 H new ATOM 160 N GLY A 11 3.231 19.014 -3.660 1.00 0.00 N ATOM 161 CA GLY A 11 1.803 19.044 -3.393 1.00 0.00 C ATOM 162 C GLY A 11 1.244 17.628 -3.240 1.00 0.00 C ATOM 163 O GLY A 11 0.214 17.430 -2.596 1.00 0.00 O ATOM 0 H GLY A 11 3.521 18.320 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.611 19.615 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.288 19.556 -4.206 1.00 0.00 H new ATOM 167 N LEU A 12 1.947 16.680 -3.842 1.00 0.00 N ATOM 168 CA LEU A 12 1.534 15.289 -3.780 1.00 0.00 C ATOM 169 C LEU A 12 0.009 15.218 -3.678 1.00 0.00 C ATOM 170 O LEU A 12 -0.541 15.147 -2.580 1.00 0.00 O ATOM 171 CB LEU A 12 2.260 14.564 -2.646 1.00 0.00 C ATOM 172 CG LEU A 12 3.774 14.414 -2.807 1.00 0.00 C ATOM 173 CD1 LEU A 12 4.477 14.460 -1.448 1.00 0.00 C ATOM 174 CD2 LEU A 12 4.120 13.145 -3.588 1.00 0.00 C ATOM 0 H LEU A 12 2.800 16.848 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 12 1.818 14.767 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.065 15.098 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.826 13.570 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 12 4.141 15.260 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.552 14.351 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.270 15.414 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.110 13.647 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.202 13.063 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.738 12.274 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.667 13.192 -4.578 1.00 0.00 H new ATOM 186 N PRO A 13 -0.649 15.242 -4.868 1.00 0.00 N ATOM 187 CA PRO A 13 -2.100 15.181 -4.923 1.00 0.00 C ATOM 188 C PRO A 13 -2.600 13.764 -4.635 1.00 0.00 C ATOM 189 O PRO A 13 -1.804 12.846 -4.449 1.00 0.00 O ATOM 190 CB PRO A 13 -2.461 15.666 -6.318 1.00 0.00 C ATOM 191 CG PRO A 13 -1.193 15.538 -7.145 1.00 0.00 C ATOM 192 CD PRO A 13 -0.031 15.326 -6.188 1.00 0.00 C ATOM 0 HA PRO A 13 -2.577 15.801 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.267 15.067 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.809 16.699 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.273 14.702 -7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.036 16.435 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.518 14.415 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.681 16.150 -6.240 1.00 0.00 H new ATOM 200 N ARG A 14 -3.918 13.632 -4.606 1.00 0.00 N ATOM 201 CA ARG A 14 -4.535 12.342 -4.343 1.00 0.00 C ATOM 202 C ARG A 14 -3.807 11.239 -5.114 1.00 0.00 C ATOM 203 O ARG A 14 -3.421 10.224 -4.535 1.00 0.00 O ATOM 204 CB ARG A 14 -6.012 12.346 -4.745 1.00 0.00 C ATOM 205 CG ARG A 14 -6.866 11.631 -3.697 1.00 0.00 C ATOM 206 CD ARG A 14 -8.346 11.985 -3.861 1.00 0.00 C ATOM 207 NE ARG A 14 -9.111 11.523 -2.681 1.00 0.00 N ATOM 208 CZ ARG A 14 -10.351 11.954 -2.368 1.00 0.00 C ATOM 209 NH1 ARG A 14 -10.978 12.862 -3.145 1.00 0.00 N ATOM 210 NH2 ARG A 14 -10.942 11.474 -1.289 1.00 0.00 N ATOM 0 H ARG A 14 -4.576 14.396 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.462 12.151 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.358 13.373 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.131 11.857 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.734 10.553 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.530 11.909 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.460 13.063 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.741 11.522 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.674 10.836 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.515 13.228 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.915 13.182 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.461 10.788 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.879 11.789 -1.038 1.00 0.00 H new ATOM 223 N ALA A 15 -3.642 11.475 -6.407 1.00 0.00 N ATOM 224 CA ALA A 15 -2.967 10.513 -7.263 1.00 0.00 C ATOM 225 C ALA A 15 -1.738 9.964 -6.535 1.00 0.00 C ATOM 226 O ALA A 15 -1.717 8.801 -6.136 1.00 0.00 O ATOM 227 CB ALA A 15 -2.608 11.177 -8.594 1.00 0.00 C ATOM 0 H ALA A 15 -3.964 12.318 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.622 9.671 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.102 10.456 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.517 11.524 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.948 12.025 -8.411 1.00 0.00 H new ATOM 233 N GLU A 16 -0.744 10.827 -6.385 1.00 0.00 N ATOM 234 CA GLU A 16 0.485 10.443 -5.713 1.00 0.00 C ATOM 235 C GLU A 16 0.171 9.760 -4.381 1.00 0.00 C ATOM 236 O GLU A 16 0.812 8.775 -4.017 1.00 0.00 O ATOM 237 CB GLU A 16 1.398 11.653 -5.506 1.00 0.00 C ATOM 238 CG GLU A 16 2.648 11.553 -6.383 1.00 0.00 C ATOM 239 CD GLU A 16 3.538 10.391 -5.938 1.00 0.00 C ATOM 240 OE1 GLU A 16 3.942 10.331 -4.767 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.808 9.528 -6.858 1.00 0.00 O ATOM 0 H GLU A 16 -0.765 11.791 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 16 1.016 9.733 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.855 12.568 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.689 11.718 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.356 11.414 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.209 12.486 -6.331 1.00 0.00 H new ATOM 249 N ARG A 17 -0.817 10.309 -3.689 1.00 0.00 N ATOM 250 CA ARG A 17 -1.225 9.765 -2.405 1.00 0.00 C ATOM 251 C ARG A 17 -1.676 8.312 -2.564 1.00 0.00 C ATOM 252 O ARG A 17 -1.182 7.425 -1.870 1.00 0.00 O ATOM 253 CB ARG A 17 -2.366 10.583 -1.797 1.00 0.00 C ATOM 254 CG ARG A 17 -1.834 11.592 -0.778 1.00 0.00 C ATOM 255 CD ARG A 17 -1.759 10.973 0.619 1.00 0.00 C ATOM 256 NE ARG A 17 -0.831 11.753 1.469 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.119 11.230 2.490 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.223 9.919 2.797 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.680 12.019 3.183 1.00 0.00 N ATOM 0 H ARG A 17 -1.347 11.125 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.365 9.811 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.903 11.107 -2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.080 9.915 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.845 11.934 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.481 12.469 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.751 10.954 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.420 9.939 0.550 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.723 12.748 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.843 9.316 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.318 9.532 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.753 13.008 2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.225 11.640 3.957 1.00 0.00 H new ATOM 272 N THR A 18 -2.611 8.113 -3.482 1.00 0.00 N ATOM 273 CA THR A 18 -3.135 6.782 -3.740 1.00 0.00 C ATOM 274 C THR A 18 -2.004 5.832 -4.137 1.00 0.00 C ATOM 275 O THR A 18 -1.921 4.714 -3.630 1.00 0.00 O ATOM 276 CB THR A 18 -4.228 6.903 -4.804 1.00 0.00 C ATOM 277 OG1 THR A 18 -5.301 7.552 -4.127 1.00 0.00 O ATOM 278 CG2 THR A 18 -4.808 5.545 -5.205 1.00 0.00 C ATOM 0 H THR A 18 -3.019 8.851 -4.056 1.00 0.00 H new ATOM 0 HA THR A 18 -3.580 6.351 -2.843 1.00 0.00 H new ATOM 0 HB THR A 18 -3.823 7.399 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.021 7.783 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.579 5.688 -5.962 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.015 4.916 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.244 5.063 -4.330 1.00 0.00 H new ATOM 286 N ALA A 19 -1.161 6.311 -5.040 1.00 0.00 N ATOM 287 CA ALA A 19 -0.038 5.517 -5.510 1.00 0.00 C ATOM 288 C ALA A 19 0.986 5.372 -4.383 1.00 0.00 C ATOM 289 O ALA A 19 1.752 4.409 -4.355 1.00 0.00 O ATOM 290 CB ALA A 19 0.559 6.168 -6.760 1.00 0.00 C ATOM 0 H ALA A 19 -1.233 7.238 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.366 4.515 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.401 5.573 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.200 6.221 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.902 7.174 -6.518 1.00 0.00 H new ATOM 296 N GLU A 20 0.967 6.342 -3.481 1.00 0.00 N ATOM 297 CA GLU A 20 1.885 6.334 -2.354 1.00 0.00 C ATOM 298 C GLU A 20 1.438 5.306 -1.313 1.00 0.00 C ATOM 299 O GLU A 20 2.181 4.380 -0.990 1.00 0.00 O ATOM 300 CB GLU A 20 2.003 7.727 -1.733 1.00 0.00 C ATOM 301 CG GLU A 20 2.813 7.683 -0.436 1.00 0.00 C ATOM 302 CD GLU A 20 3.788 8.859 -0.357 1.00 0.00 C ATOM 303 OE1 GLU A 20 4.167 9.420 -1.395 1.00 0.00 O ATOM 304 OE2 GLU A 20 4.151 9.187 0.837 1.00 0.00 O ATOM 0 H GLU A 20 0.331 7.139 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 20 2.873 6.049 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.480 8.405 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.008 8.124 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.138 7.708 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.365 6.745 -0.379 1.00 0.00 H new ATOM 312 N LEU A 21 0.226 5.503 -0.816 1.00 0.00 N ATOM 313 CA LEU A 21 -0.329 4.605 0.182 1.00 0.00 C ATOM 314 C LEU A 21 -0.226 3.163 -0.321 1.00 0.00 C ATOM 315 O LEU A 21 0.144 2.264 0.432 1.00 0.00 O ATOM 316 CB LEU A 21 -1.753 5.027 0.551 1.00 0.00 C ATOM 317 CG LEU A 21 -1.931 5.644 1.940 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.210 7.145 1.840 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.017 4.911 2.730 1.00 0.00 C ATOM 0 H LEU A 21 -0.388 6.272 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 21 0.245 4.663 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.102 5.745 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.400 4.153 0.478 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.997 5.525 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.333 7.560 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.375 7.638 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.122 7.308 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.124 5.369 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.964 4.977 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.738 3.864 2.846 1.00 0.00 H new ATOM 331 N VAL A 22 -0.558 2.989 -1.592 1.00 0.00 N ATOM 332 CA VAL A 22 -0.508 1.673 -2.204 1.00 0.00 C ATOM 333 C VAL A 22 0.838 1.018 -1.886 1.00 0.00 C ATOM 334 O VAL A 22 0.894 0.024 -1.164 1.00 0.00 O ATOM 335 CB VAL A 22 -0.778 1.784 -3.706 1.00 0.00 C ATOM 336 CG1 VAL A 22 -0.243 0.560 -4.452 1.00 0.00 C ATOM 337 CG2 VAL A 22 -2.270 1.984 -3.981 1.00 0.00 C ATOM 0 H VAL A 22 -0.863 3.738 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.287 1.031 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.248 2.661 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.448 0.665 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.833 0.480 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.732 -0.338 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.435 2.060 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.830 1.136 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.610 2.899 -3.496 1.00 0.00 H new ATOM 347 N ARG A 23 1.890 1.602 -2.441 1.00 0.00 N ATOM 348 CA ARG A 23 3.232 1.089 -2.226 1.00 0.00 C ATOM 349 C ARG A 23 3.420 0.693 -0.759 1.00 0.00 C ATOM 350 O ARG A 23 3.980 -0.361 -0.464 1.00 0.00 O ATOM 351 CB ARG A 23 4.288 2.129 -2.605 1.00 0.00 C ATOM 352 CG ARG A 23 5.431 1.487 -3.394 1.00 0.00 C ATOM 353 CD ARG A 23 6.489 2.526 -3.770 1.00 0.00 C ATOM 354 NE ARG A 23 7.721 1.849 -4.234 1.00 0.00 N ATOM 355 CZ ARG A 23 8.831 2.497 -4.645 1.00 0.00 C ATOM 356 NH1 ARG A 23 8.873 3.847 -4.654 1.00 0.00 N ATOM 357 NH2 ARG A 23 9.875 1.792 -5.039 1.00 0.00 N ATOM 0 H ARG A 23 1.840 2.426 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 23 3.357 0.213 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.829 2.918 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.682 2.598 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.888 0.696 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.037 1.021 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.106 3.180 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.713 3.157 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 23 7.732 0.829 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.062 4.385 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.716 4.329 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.835 0.773 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.722 2.266 -5.353 1.00 0.00 H new ATOM 370 N LEU A 24 2.941 1.561 0.120 1.00 0.00 N ATOM 371 CA LEU A 24 3.049 1.315 1.548 1.00 0.00 C ATOM 372 C LEU A 24 2.247 0.063 1.908 1.00 0.00 C ATOM 373 O LEU A 24 2.776 -0.862 2.523 1.00 0.00 O ATOM 374 CB LEU A 24 2.635 2.558 2.338 1.00 0.00 C ATOM 375 CG LEU A 24 2.829 2.485 3.854 1.00 0.00 C ATOM 376 CD1 LEU A 24 3.093 3.873 4.441 1.00 0.00 C ATOM 377 CD2 LEU A 24 1.640 1.796 4.527 1.00 0.00 C ATOM 0 H LEU A 24 2.478 2.435 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 24 4.085 1.120 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.201 3.410 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.583 2.759 2.136 1.00 0.00 H new ATOM 0 HG LEU A 24 3.711 1.877 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.227 3.792 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.994 4.292 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.246 4.525 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.804 1.757 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.729 2.357 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.539 0.782 4.139 1.00 0.00 H new ATOM 389 N VAL A 25 0.983 0.073 1.510 1.00 0.00 N ATOM 390 CA VAL A 25 0.104 -1.051 1.783 1.00 0.00 C ATOM 391 C VAL A 25 0.825 -2.354 1.433 1.00 0.00 C ATOM 392 O VAL A 25 0.956 -3.241 2.275 1.00 0.00 O ATOM 393 CB VAL A 25 -1.216 -0.877 1.029 1.00 0.00 C ATOM 394 CG1 VAL A 25 -2.133 -2.083 1.243 1.00 0.00 C ATOM 395 CG2 VAL A 25 -1.914 0.422 1.437 1.00 0.00 C ATOM 0 H VAL A 25 0.547 0.842 1.001 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.145 -1.093 2.843 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.988 -0.814 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.064 -1.934 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.639 -2.984 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.350 -2.191 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.849 0.521 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.123 0.402 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.268 1.270 1.209 1.00 0.00 H new ATOM 405 N ARG A 26 1.273 -2.429 0.188 1.00 0.00 N ATOM 406 CA ARG A 26 1.978 -3.609 -0.283 1.00 0.00 C ATOM 407 C ARG A 26 2.998 -4.071 0.760 1.00 0.00 C ATOM 408 O ARG A 26 2.895 -5.177 1.287 1.00 0.00 O ATOM 409 CB ARG A 26 2.699 -3.330 -1.603 1.00 0.00 C ATOM 410 CG ARG A 26 1.942 -3.943 -2.782 1.00 0.00 C ATOM 411 CD ARG A 26 2.066 -3.065 -4.030 1.00 0.00 C ATOM 412 NE ARG A 26 2.678 -3.839 -5.133 1.00 0.00 N ATOM 413 CZ ARG A 26 4.007 -3.909 -5.363 1.00 0.00 C ATOM 414 NH1 ARG A 26 4.875 -3.251 -4.566 1.00 0.00 N ATOM 415 NH2 ARG A 26 4.444 -4.630 -6.379 1.00 0.00 N ATOM 0 H ARG A 26 1.161 -1.692 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 26 1.239 -4.393 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.796 -2.254 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.709 -3.738 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.334 -4.938 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.891 -4.063 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.082 -2.704 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.674 -2.188 -3.809 1.00 0.00 H new ATOM 0 HE ARG A 26 2.057 -4.352 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.529 -2.696 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.877 -3.309 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.781 -5.124 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.445 -4.693 -6.566 1.00 0.00 H new ATOM 428 N THR A 27 3.959 -3.199 1.026 1.00 0.00 N ATOM 429 CA THR A 27 4.997 -3.503 1.997 1.00 0.00 C ATOM 430 C THR A 27 4.380 -3.776 3.370 1.00 0.00 C ATOM 431 O THR A 27 4.588 -4.842 3.947 1.00 0.00 O ATOM 432 CB THR A 27 5.996 -2.344 2.000 1.00 0.00 C ATOM 433 OG1 THR A 27 6.480 -2.300 0.660 1.00 0.00 O ATOM 434 CG2 THR A 27 7.241 -2.647 2.836 1.00 0.00 C ATOM 0 H THR A 27 4.041 -2.282 0.586 1.00 0.00 H new ATOM 0 HA THR A 27 5.534 -4.413 1.730 1.00 0.00 H new ATOM 0 HB THR A 27 5.510 -1.447 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.133 -1.575 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.917 -1.793 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.948 -2.840 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.746 -3.524 2.432 1.00 0.00 H new ATOM 442 N SER A 28 3.632 -2.795 3.853 1.00 0.00 N ATOM 443 CA SER A 28 2.983 -2.916 5.148 1.00 0.00 C ATOM 444 C SER A 28 2.393 -4.318 5.308 1.00 0.00 C ATOM 445 O SER A 28 2.606 -4.972 6.327 1.00 0.00 O ATOM 446 CB SER A 28 1.891 -1.857 5.317 1.00 0.00 C ATOM 447 OG SER A 28 1.678 -1.525 6.686 1.00 0.00 O ATOM 0 H SER A 28 3.461 -1.913 3.371 1.00 0.00 H new ATOM 0 HA SER A 28 3.732 -2.754 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.168 -0.959 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.960 -2.223 4.884 1.00 0.00 H new ATOM 0 HG SER A 28 0.943 -0.881 6.756 1.00 0.00 H new ATOM 453 N THR A 29 1.662 -4.738 4.286 1.00 0.00 N ATOM 454 CA THR A 29 1.039 -6.051 4.300 1.00 0.00 C ATOM 455 C THR A 29 2.105 -7.146 4.373 1.00 0.00 C ATOM 456 O THR A 29 2.136 -7.925 5.324 1.00 0.00 O ATOM 457 CB THR A 29 0.138 -6.160 3.069 1.00 0.00 C ATOM 458 OG1 THR A 29 -0.593 -4.937 3.064 1.00 0.00 O ATOM 459 CG2 THR A 29 -0.937 -7.237 3.224 1.00 0.00 C ATOM 0 H THR A 29 1.487 -4.192 3.442 1.00 0.00 H new ATOM 0 HA THR A 29 0.419 -6.186 5.186 1.00 0.00 H new ATOM 0 HB THR A 29 0.747 -6.379 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.185 -4.315 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.549 -7.273 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.462 -8.206 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.567 -7.001 4.081 1.00 0.00 H new ATOM 467 N ALA A 30 2.953 -7.170 3.355 1.00 0.00 N ATOM 468 CA ALA A 30 4.018 -8.157 3.292 1.00 0.00 C ATOM 469 C ALA A 30 4.762 -8.184 4.628 1.00 0.00 C ATOM 470 O ALA A 30 5.123 -9.253 5.120 1.00 0.00 O ATOM 471 CB ALA A 30 4.942 -7.836 2.116 1.00 0.00 C ATOM 0 H ALA A 30 2.924 -6.522 2.568 1.00 0.00 H new ATOM 0 HA ALA A 30 3.609 -9.153 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.741 -8.576 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.371 -7.858 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.374 -6.844 2.253 1.00 0.00 H new ATOM 477 N THR A 31 4.970 -6.997 5.178 1.00 0.00 N ATOM 478 CA THR A 31 5.665 -6.871 6.448 1.00 0.00 C ATOM 479 C THR A 31 4.988 -7.735 7.514 1.00 0.00 C ATOM 480 O THR A 31 5.651 -8.257 8.408 1.00 0.00 O ATOM 481 CB THR A 31 5.719 -5.386 6.812 1.00 0.00 C ATOM 482 OG1 THR A 31 6.777 -4.870 6.009 1.00 0.00 O ATOM 483 CG2 THR A 31 6.194 -5.153 8.248 1.00 0.00 C ATOM 0 H THR A 31 4.669 -6.113 4.767 1.00 0.00 H new ATOM 0 HA THR A 31 6.688 -7.240 6.378 1.00 0.00 H new ATOM 0 HB THR A 31 4.732 -4.943 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.445 -4.693 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.214 -4.083 8.455 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.511 -5.644 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.195 -5.566 8.371 1.00 0.00 H new ATOM 491 N VAL A 32 3.675 -7.858 7.383 1.00 0.00 N ATOM 492 CA VAL A 32 2.900 -8.648 8.324 1.00 0.00 C ATOM 493 C VAL A 32 3.371 -10.103 8.270 1.00 0.00 C ATOM 494 O VAL A 32 3.797 -10.660 9.281 1.00 0.00 O ATOM 495 CB VAL A 32 1.406 -8.492 8.034 1.00 0.00 C ATOM 496 CG1 VAL A 32 0.565 -9.253 9.061 1.00 0.00 C ATOM 497 CG2 VAL A 32 1.009 -7.015 7.986 1.00 0.00 C ATOM 0 H VAL A 32 3.129 -7.424 6.639 1.00 0.00 H new ATOM 0 HA VAL A 32 3.058 -8.292 9.342 1.00 0.00 H new ATOM 0 HB VAL A 32 1.208 -8.925 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.493 -9.125 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.819 -10.312 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.769 -8.864 10.059 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.058 -6.932 7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.230 -6.548 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.572 -6.512 7.200 1.00 0.00 H new ATOM 507 N LEU A 33 3.277 -10.678 7.080 1.00 0.00 N ATOM 508 CA LEU A 33 3.687 -12.057 6.880 1.00 0.00 C ATOM 509 C LEU A 33 5.030 -12.291 7.576 1.00 0.00 C ATOM 510 O LEU A 33 5.250 -13.344 8.171 1.00 0.00 O ATOM 511 CB LEU A 33 3.699 -12.403 5.390 1.00 0.00 C ATOM 512 CG LEU A 33 2.395 -12.969 4.823 1.00 0.00 C ATOM 513 CD1 LEU A 33 2.035 -14.295 5.496 1.00 0.00 C ATOM 514 CD2 LEU A 33 1.262 -11.947 4.927 1.00 0.00 C ATOM 0 H LEU A 33 2.923 -10.213 6.244 1.00 0.00 H new ATOM 0 HA LEU A 33 2.968 -12.738 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.955 -11.503 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.494 -13.127 5.212 1.00 0.00 H new ATOM 0 HG LEU A 33 2.545 -13.176 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.104 -14.676 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.833 -15.018 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.911 -14.137 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.347 -12.375 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.103 -11.685 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.527 -11.051 4.365 1.00 0.00 H new ATOM 526 N GLY A 34 5.893 -11.291 7.477 1.00 0.00 N ATOM 527 CA GLY A 34 7.208 -11.374 8.089 1.00 0.00 C ATOM 528 C GLY A 34 8.311 -11.322 7.030 1.00 0.00 C ATOM 529 O GLY A 34 9.215 -12.156 7.028 1.00 0.00 O ATOM 0 H GLY A 34 5.707 -10.419 6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.337 -10.553 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.290 -12.299 8.659 1.00 0.00 H new ATOM 533 N HIS A 35 8.200 -10.334 6.154 1.00 0.00 N ATOM 534 CA HIS A 35 9.176 -10.162 5.091 1.00 0.00 C ATOM 535 C HIS A 35 9.082 -8.741 4.533 1.00 0.00 C ATOM 536 O HIS A 35 8.003 -8.152 4.502 1.00 0.00 O ATOM 537 CB HIS A 35 9.001 -11.235 4.014 1.00 0.00 C ATOM 538 CG HIS A 35 9.883 -12.445 4.204 1.00 0.00 C ATOM 539 ND1 HIS A 35 9.683 -13.633 3.522 1.00 0.00 N ATOM 540 CD2 HIS A 35 10.971 -12.639 5.004 1.00 0.00 C ATOM 541 CE1 HIS A 35 10.614 -14.496 3.903 1.00 0.00 C ATOM 542 NE2 HIS A 35 11.411 -13.878 4.822 1.00 0.00 N ATOM 0 H HIS A 35 7.449 -9.644 6.159 1.00 0.00 H new ATOM 0 HA HIS A 35 10.182 -10.292 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.959 -11.556 4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.211 -10.795 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.401 -11.908 5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.723 -15.510 3.548 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.213 -14.299 5.292 1.00 0.00 H new ATOM 550 N ASP A 36 10.228 -8.231 4.106 1.00 0.00 N ATOM 551 CA ASP A 36 10.289 -6.889 3.551 1.00 0.00 C ATOM 552 C ASP A 36 10.679 -6.971 2.073 1.00 0.00 C ATOM 553 O ASP A 36 11.650 -6.347 1.648 1.00 0.00 O ATOM 554 CB ASP A 36 11.340 -6.042 4.271 1.00 0.00 C ATOM 555 CG ASP A 36 11.041 -5.755 5.743 1.00 0.00 C ATOM 556 OD1 ASP A 36 9.875 -5.722 6.164 1.00 0.00 O ATOM 557 OD2 ASP A 36 12.080 -5.556 6.482 1.00 0.00 O ATOM 0 H ASP A 36 11.121 -8.723 4.133 1.00 0.00 H new ATOM 0 HA ASP A 36 9.309 -6.428 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.302 -6.550 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.443 -5.093 3.745 1.00 0.00 H new ATOM 563 N ASP A 37 9.901 -7.745 1.331 1.00 0.00 N ATOM 564 CA ASP A 37 10.152 -7.916 -0.090 1.00 0.00 C ATOM 565 C ASP A 37 8.843 -7.735 -0.860 1.00 0.00 C ATOM 566 O ASP A 37 8.061 -8.675 -0.993 1.00 0.00 O ATOM 567 CB ASP A 37 10.687 -9.318 -0.389 1.00 0.00 C ATOM 568 CG ASP A 37 11.612 -9.900 0.682 1.00 0.00 C ATOM 569 OD1 ASP A 37 12.293 -9.160 1.407 1.00 0.00 O ATOM 570 OD2 ASP A 37 11.616 -11.188 0.757 1.00 0.00 O ATOM 0 H ASP A 37 9.096 -8.261 1.687 1.00 0.00 H new ATOM 0 HA ASP A 37 10.891 -7.175 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.841 -9.992 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.225 -9.291 -1.336 1.00 0.00 H new ATOM 576 N PRO A 38 8.638 -6.487 -1.361 1.00 0.00 N ATOM 577 CA PRO A 38 7.437 -6.171 -2.115 1.00 0.00 C ATOM 578 C PRO A 38 7.502 -6.763 -3.524 1.00 0.00 C ATOM 579 O PRO A 38 6.471 -7.066 -4.122 1.00 0.00 O ATOM 580 CB PRO A 38 7.359 -4.653 -2.112 1.00 0.00 C ATOM 581 CG PRO A 38 8.756 -4.164 -1.761 1.00 0.00 C ATOM 582 CD PRO A 38 9.542 -5.349 -1.224 1.00 0.00 C ATOM 0 HA PRO A 38 6.538 -6.604 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.047 -4.276 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.628 -4.301 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.247 -3.747 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.707 -3.369 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.461 -5.503 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.830 -5.195 -0.184 1.00 0.00 H new ATOM 590 N LYS A 39 8.725 -6.911 -4.013 1.00 0.00 N ATOM 591 CA LYS A 39 8.938 -7.462 -5.341 1.00 0.00 C ATOM 592 C LYS A 39 8.054 -8.698 -5.523 1.00 0.00 C ATOM 593 O LYS A 39 7.488 -8.908 -6.595 1.00 0.00 O ATOM 594 CB LYS A 39 10.425 -7.729 -5.578 1.00 0.00 C ATOM 595 CG LYS A 39 11.011 -6.726 -6.573 1.00 0.00 C ATOM 596 CD LYS A 39 12.530 -6.874 -6.672 1.00 0.00 C ATOM 597 CE LYS A 39 13.073 -6.149 -7.905 1.00 0.00 C ATOM 598 NZ LYS A 39 14.402 -6.683 -8.278 1.00 0.00 N ATOM 0 H LYS A 39 9.578 -6.659 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 39 8.642 -6.742 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.964 -7.666 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.560 -8.742 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.563 -6.878 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.761 -5.712 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.997 -6.471 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.793 -7.931 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.380 -6.268 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.148 -5.081 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.755 -6.180 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.065 -6.548 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.321 -7.698 -8.492 1.00 0.00 H new ATOM 611 N ALA A 40 7.964 -9.484 -4.460 1.00 0.00 N ATOM 612 CA ALA A 40 7.160 -10.693 -4.489 1.00 0.00 C ATOM 613 C ALA A 40 5.756 -10.380 -3.967 1.00 0.00 C ATOM 614 O ALA A 40 5.179 -11.166 -3.218 1.00 0.00 O ATOM 615 CB ALA A 40 7.853 -11.788 -3.676 1.00 0.00 C ATOM 0 H ALA A 40 8.435 -9.306 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 40 7.058 -11.061 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.249 -12.695 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.834 -11.994 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.971 -11.456 -2.645 1.00 0.00 H new ATOM 621 N VAL A 41 5.248 -9.229 -4.383 1.00 0.00 N ATOM 622 CA VAL A 41 3.923 -8.802 -3.967 1.00 0.00 C ATOM 623 C VAL A 41 3.344 -7.853 -5.018 1.00 0.00 C ATOM 624 O VAL A 41 4.061 -7.019 -5.568 1.00 0.00 O ATOM 625 CB VAL A 41 3.989 -8.180 -2.571 1.00 0.00 C ATOM 626 CG1 VAL A 41 2.659 -7.519 -2.201 1.00 0.00 C ATOM 627 CG2 VAL A 41 4.393 -9.220 -1.525 1.00 0.00 C ATOM 0 H VAL A 41 5.730 -8.579 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 41 3.251 -9.657 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 41 4.756 -7.405 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.733 -7.085 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.430 -6.735 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.866 -8.266 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.432 -8.751 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.661 -10.027 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.374 -9.624 -1.774 1.00 0.00 H new ATOM 637 N ARG A 42 2.052 -8.012 -5.265 1.00 0.00 N ATOM 638 CA ARG A 42 1.368 -7.180 -6.240 1.00 0.00 C ATOM 639 C ARG A 42 0.304 -6.322 -5.553 1.00 0.00 C ATOM 640 O ARG A 42 0.063 -6.467 -4.356 1.00 0.00 O ATOM 641 CB ARG A 42 0.705 -8.033 -7.324 1.00 0.00 C ATOM 642 CG ARG A 42 1.557 -8.066 -8.594 1.00 0.00 C ATOM 643 CD ARG A 42 1.021 -9.098 -9.587 1.00 0.00 C ATOM 644 NE ARG A 42 2.119 -9.976 -10.048 1.00 0.00 N ATOM 645 CZ ARG A 42 2.544 -10.050 -11.327 1.00 0.00 C ATOM 646 NH1 ARG A 42 1.963 -9.297 -12.286 1.00 0.00 N ATOM 647 NH2 ARG A 42 3.534 -10.869 -11.627 1.00 0.00 N ATOM 0 H ARG A 42 1.461 -8.705 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 42 2.113 -6.535 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.558 -9.048 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.282 -7.632 -7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.564 -7.079 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.589 -8.305 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.240 -9.695 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.566 -8.593 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 42 2.584 -10.563 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.198 -8.667 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.290 -9.358 -13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.967 -11.435 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.867 -10.936 -12.589 1.00 0.00 H new ATOM 660 N ALA A 43 -0.304 -5.447 -6.341 1.00 0.00 N ATOM 661 CA ALA A 43 -1.337 -4.566 -5.823 1.00 0.00 C ATOM 662 C ALA A 43 -2.690 -5.276 -5.895 1.00 0.00 C ATOM 663 O ALA A 43 -3.598 -4.969 -5.124 1.00 0.00 O ATOM 664 CB ALA A 43 -1.326 -3.251 -6.606 1.00 0.00 C ATOM 0 H ALA A 43 -0.101 -5.329 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.147 -4.325 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.101 -2.590 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.353 -2.772 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.517 -3.453 -7.660 1.00 0.00 H new ATOM 670 N THR A 44 -2.783 -6.212 -6.828 1.00 0.00 N ATOM 671 CA THR A 44 -4.010 -6.969 -7.011 1.00 0.00 C ATOM 672 C THR A 44 -3.886 -8.351 -6.367 1.00 0.00 C ATOM 673 O THR A 44 -4.437 -9.327 -6.872 1.00 0.00 O ATOM 674 CB THR A 44 -4.314 -7.022 -8.510 1.00 0.00 C ATOM 675 OG1 THR A 44 -3.047 -7.272 -9.112 1.00 0.00 O ATOM 676 CG2 THR A 44 -4.731 -5.661 -9.071 1.00 0.00 C ATOM 0 H THR A 44 -2.028 -6.464 -7.466 1.00 0.00 H new ATOM 0 HA THR A 44 -4.850 -6.487 -6.511 1.00 0.00 H new ATOM 0 HB THR A 44 -5.105 -7.749 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.152 -7.323 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.935 -5.754 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.629 -5.316 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.926 -4.942 -8.917 1.00 0.00 H new ATOM 684 N THR A 45 -3.158 -8.389 -5.260 1.00 0.00 N ATOM 685 CA THR A 45 -2.955 -9.635 -4.541 1.00 0.00 C ATOM 686 C THR A 45 -3.949 -9.752 -3.384 1.00 0.00 C ATOM 687 O THR A 45 -4.110 -8.817 -2.602 1.00 0.00 O ATOM 688 CB THR A 45 -1.493 -9.689 -4.093 1.00 0.00 C ATOM 689 OG1 THR A 45 -0.823 -10.338 -5.170 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.279 -10.626 -2.903 1.00 0.00 C ATOM 0 H THR A 45 -2.702 -7.577 -4.844 1.00 0.00 H new ATOM 0 HA THR A 45 -3.147 -10.496 -5.181 1.00 0.00 H new ATOM 0 HB THR A 45 -1.158 -8.686 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.132 -10.413 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.225 -10.627 -2.626 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.876 -10.283 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.583 -11.636 -3.176 1.00 0.00 H new ATOM 698 N PRO A 46 -4.608 -10.940 -3.311 1.00 0.00 N ATOM 699 CA PRO A 46 -5.583 -11.192 -2.263 1.00 0.00 C ATOM 700 C PRO A 46 -4.892 -11.452 -0.923 1.00 0.00 C ATOM 701 O PRO A 46 -4.058 -12.349 -0.814 1.00 0.00 O ATOM 702 CB PRO A 46 -6.391 -12.380 -2.756 1.00 0.00 C ATOM 703 CG PRO A 46 -5.548 -13.040 -3.835 1.00 0.00 C ATOM 704 CD PRO A 46 -4.443 -12.070 -4.220 1.00 0.00 C ATOM 0 HA PRO A 46 -6.232 -10.336 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.598 -13.075 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.354 -12.059 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.125 -13.976 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.161 -13.284 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.459 -12.526 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.535 -11.758 -5.260 1.00 0.00 H new ATOM 712 N PHE A 47 -5.265 -10.651 0.064 1.00 0.00 N ATOM 713 CA PHE A 47 -4.692 -10.784 1.393 1.00 0.00 C ATOM 714 C PHE A 47 -4.752 -12.235 1.873 1.00 0.00 C ATOM 715 O PHE A 47 -3.760 -12.771 2.365 1.00 0.00 O ATOM 716 CB PHE A 47 -5.531 -9.913 2.331 1.00 0.00 C ATOM 717 CG PHE A 47 -7.009 -10.306 2.389 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.886 -9.789 1.487 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.445 -11.173 3.342 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.257 -10.154 1.541 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.816 -11.538 3.395 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.694 -11.021 2.494 1.00 0.00 C ATOM 0 H PHE A 47 -5.957 -9.907 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.646 -10.477 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.111 -9.969 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.454 -8.874 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.540 -9.101 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.749 -11.584 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.953 -9.743 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.162 -12.227 4.151 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.737 -11.298 2.535 1.00 0.00 H new ATOM 732 N LYS A 48 -5.926 -12.829 1.715 1.00 0.00 N ATOM 733 CA LYS A 48 -6.128 -14.208 2.126 1.00 0.00 C ATOM 734 C LYS A 48 -4.889 -15.031 1.765 1.00 0.00 C ATOM 735 O LYS A 48 -4.286 -15.663 2.630 1.00 0.00 O ATOM 736 CB LYS A 48 -7.426 -14.759 1.534 1.00 0.00 C ATOM 737 CG LYS A 48 -8.145 -15.666 2.535 1.00 0.00 C ATOM 738 CD LYS A 48 -9.115 -16.610 1.822 1.00 0.00 C ATOM 739 CE LYS A 48 -9.653 -17.671 2.784 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.530 -18.624 2.067 1.00 0.00 N ATOM 0 H LYS A 48 -6.747 -12.381 1.308 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.247 -14.269 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.080 -13.934 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.206 -15.318 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.413 -16.247 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.689 -15.057 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.944 -16.038 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.609 -17.094 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.823 -18.207 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.209 -17.191 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.887 -19.337 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.332 -18.111 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.989 -19.095 1.314 1.00 0.00 H new ATOM 753 N GLU A 49 -4.547 -14.995 0.485 1.00 0.00 N ATOM 754 CA GLU A 49 -3.391 -15.729 -0.001 1.00 0.00 C ATOM 755 C GLU A 49 -2.128 -15.280 0.737 1.00 0.00 C ATOM 756 O GLU A 49 -1.296 -16.106 1.109 1.00 0.00 O ATOM 757 CB GLU A 49 -3.232 -15.561 -1.513 1.00 0.00 C ATOM 758 CG GLU A 49 -4.268 -16.393 -2.270 1.00 0.00 C ATOM 759 CD GLU A 49 -3.803 -17.843 -2.420 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.185 -18.395 -1.498 1.00 0.00 O ATOM 761 OE2 GLU A 49 -4.106 -18.399 -3.544 1.00 0.00 O ATOM 0 H GLU A 49 -5.050 -14.469 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.547 -16.789 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.341 -14.509 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.229 -15.864 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.220 -16.366 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.439 -15.959 -3.255 1.00 0.00 H new ATOM 769 N LEU A 50 -2.025 -13.973 0.927 1.00 0.00 N ATOM 770 CA LEU A 50 -0.878 -13.404 1.613 1.00 0.00 C ATOM 771 C LEU A 50 -0.708 -14.092 2.969 1.00 0.00 C ATOM 772 O LEU A 50 0.413 -14.279 3.439 1.00 0.00 O ATOM 773 CB LEU A 50 -1.009 -11.883 1.708 1.00 0.00 C ATOM 774 CG LEU A 50 -0.918 -11.119 0.386 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.430 -9.686 0.544 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.506 -11.159 -0.174 1.00 0.00 C ATOM 0 H LEU A 50 -2.718 -13.291 0.617 1.00 0.00 H new ATOM 0 HA LEU A 50 0.034 -13.587 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.966 -11.649 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.230 -11.512 2.374 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.564 -11.614 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.354 -9.165 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.471 -9.705 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.830 -9.165 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.543 -10.608 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.191 -10.703 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.800 -12.194 -0.348 1.00 0.00 H new ATOM 788 N GLY A 51 -1.839 -14.450 3.561 1.00 0.00 N ATOM 789 CA GLY A 51 -1.830 -15.113 4.854 1.00 0.00 C ATOM 790 C GLY A 51 -2.428 -14.213 5.936 1.00 0.00 C ATOM 791 O GLY A 51 -1.777 -13.924 6.939 1.00 0.00 O ATOM 0 H GLY A 51 -2.767 -14.293 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.397 -16.042 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.808 -15.380 5.122 1.00 0.00 H new ATOM 795 N PHE A 52 -3.662 -13.794 5.697 1.00 0.00 N ATOM 796 CA PHE A 52 -4.356 -12.932 6.638 1.00 0.00 C ATOM 797 C PHE A 52 -5.709 -13.528 7.033 1.00 0.00 C ATOM 798 O PHE A 52 -6.478 -13.953 6.173 1.00 0.00 O ATOM 799 CB PHE A 52 -4.588 -11.594 5.933 1.00 0.00 C ATOM 800 CG PHE A 52 -3.342 -10.710 5.851 1.00 0.00 C ATOM 801 CD1 PHE A 52 -3.056 -9.843 6.859 1.00 0.00 C ATOM 802 CD2 PHE A 52 -2.520 -10.791 4.771 1.00 0.00 C ATOM 803 CE1 PHE A 52 -1.900 -9.022 6.783 1.00 0.00 C ATOM 804 CE2 PHE A 52 -1.364 -9.970 4.695 1.00 0.00 C ATOM 805 CZ PHE A 52 -1.078 -9.103 5.703 1.00 0.00 C ATOM 0 H PHE A 52 -4.199 -14.036 4.864 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.761 -12.816 7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.952 -11.785 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.373 -11.050 6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.708 -9.779 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.746 -11.480 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.674 -8.333 7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.712 -10.034 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.198 -8.479 5.646 1.00 0.00 H new ATOM 815 N ASP A 53 -5.957 -13.540 8.335 1.00 0.00 N ATOM 816 CA ASP A 53 -7.203 -14.077 8.854 1.00 0.00 C ATOM 817 C ASP A 53 -7.728 -13.157 9.959 1.00 0.00 C ATOM 818 O ASP A 53 -8.822 -12.607 9.845 1.00 0.00 O ATOM 819 CB ASP A 53 -6.996 -15.468 9.455 1.00 0.00 C ATOM 820 CG ASP A 53 -6.718 -16.577 8.438 1.00 0.00 C ATOM 821 OD1 ASP A 53 -5.719 -16.536 7.706 1.00 0.00 O ATOM 822 OD2 ASP A 53 -7.591 -17.526 8.415 1.00 0.00 O ATOM 0 H ASP A 53 -5.316 -13.186 9.045 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.911 -14.144 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.164 -15.423 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.884 -15.735 10.028 1.00 0.00 H new ATOM 828 N SER A 54 -6.924 -13.021 11.002 1.00 0.00 N ATOM 829 CA SER A 54 -7.294 -12.178 12.127 1.00 0.00 C ATOM 830 C SER A 54 -6.051 -11.493 12.699 1.00 0.00 C ATOM 831 O SER A 54 -5.958 -10.267 12.700 1.00 0.00 O ATOM 832 CB SER A 54 -8.001 -12.989 13.214 1.00 0.00 C ATOM 833 OG SER A 54 -9.089 -13.747 12.692 1.00 0.00 O ATOM 0 H SER A 54 -6.018 -13.480 11.093 1.00 0.00 H new ATOM 0 HA SER A 54 -7.988 -11.417 11.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.286 -13.661 13.688 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.367 -12.315 13.989 1.00 0.00 H new ATOM 0 HG SER A 54 -9.513 -14.252 13.417 1.00 0.00 H new ATOM 839 N LEU A 55 -5.126 -12.316 13.171 1.00 0.00 N ATOM 840 CA LEU A 55 -3.892 -11.806 13.745 1.00 0.00 C ATOM 841 C LEU A 55 -3.191 -10.911 12.721 1.00 0.00 C ATOM 842 O LEU A 55 -2.969 -9.728 12.974 1.00 0.00 O ATOM 843 CB LEU A 55 -3.022 -12.956 14.254 1.00 0.00 C ATOM 844 CG LEU A 55 -2.704 -12.945 15.751 1.00 0.00 C ATOM 845 CD1 LEU A 55 -3.406 -14.098 16.469 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.193 -12.955 15.990 1.00 0.00 C ATOM 0 H LEU A 55 -5.206 -13.333 13.168 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.104 -11.188 14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.521 -13.896 14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.082 -12.945 13.703 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.091 -12.019 16.176 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.163 -14.067 17.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.484 -14.004 16.340 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.072 -15.046 16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.994 -12.947 17.062 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.761 -13.852 15.547 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.746 -12.073 15.531 1.00 0.00 H new ATOM 858 N ALA A 56 -2.861 -11.510 11.586 1.00 0.00 N ATOM 859 CA ALA A 56 -2.189 -10.782 10.523 1.00 0.00 C ATOM 860 C ALA A 56 -3.104 -9.664 10.020 1.00 0.00 C ATOM 861 O ALA A 56 -2.632 -8.590 9.650 1.00 0.00 O ATOM 862 CB ALA A 56 -1.791 -11.754 9.411 1.00 0.00 C ATOM 0 H ALA A 56 -3.047 -12.491 11.379 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.275 -10.319 10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.287 -11.208 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.118 -12.512 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.684 -12.236 9.012 1.00 0.00 H new ATOM 868 N ALA A 57 -4.397 -9.955 10.021 1.00 0.00 N ATOM 869 CA ALA A 57 -5.382 -8.987 9.569 1.00 0.00 C ATOM 870 C ALA A 57 -5.399 -7.797 10.530 1.00 0.00 C ATOM 871 O ALA A 57 -5.642 -6.664 10.116 1.00 0.00 O ATOM 872 CB ALA A 57 -6.749 -9.665 9.455 1.00 0.00 C ATOM 0 H ALA A 57 -4.785 -10.847 10.328 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.123 -8.608 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.488 -8.939 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.690 -10.484 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.044 -10.055 10.429 1.00 0.00 H new ATOM 878 N VAL A 58 -5.139 -8.094 11.794 1.00 0.00 N ATOM 879 CA VAL A 58 -5.122 -7.062 12.817 1.00 0.00 C ATOM 880 C VAL A 58 -3.897 -6.168 12.614 1.00 0.00 C ATOM 881 O VAL A 58 -4.030 -4.958 12.438 1.00 0.00 O ATOM 882 CB VAL A 58 -5.172 -7.702 14.207 1.00 0.00 C ATOM 883 CG1 VAL A 58 -4.469 -6.821 15.241 1.00 0.00 C ATOM 884 CG2 VAL A 58 -6.614 -7.995 14.625 1.00 0.00 C ATOM 0 H VAL A 58 -4.938 -9.035 12.134 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.004 -6.427 12.734 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.639 -8.652 14.158 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.519 -7.298 16.220 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.426 -6.687 14.955 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.961 -5.849 15.286 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.620 -8.449 15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.182 -7.065 14.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.068 -8.680 13.909 1.00 0.00 H new ATOM 894 N ARG A 59 -2.733 -6.799 12.645 1.00 0.00 N ATOM 895 CA ARG A 59 -1.485 -6.076 12.466 1.00 0.00 C ATOM 896 C ARG A 59 -1.604 -5.093 11.300 1.00 0.00 C ATOM 897 O ARG A 59 -1.112 -3.968 11.379 1.00 0.00 O ATOM 898 CB ARG A 59 -0.325 -7.037 12.197 1.00 0.00 C ATOM 899 CG ARG A 59 0.822 -6.800 13.181 1.00 0.00 C ATOM 900 CD ARG A 59 1.986 -7.754 12.906 1.00 0.00 C ATOM 901 NE ARG A 59 3.157 -7.375 13.729 1.00 0.00 N ATOM 902 CZ ARG A 59 4.358 -7.988 13.664 1.00 0.00 C ATOM 903 NH1 ARG A 59 4.557 -9.016 12.813 1.00 0.00 N ATOM 904 NH2 ARG A 59 5.335 -7.566 14.445 1.00 0.00 N ATOM 0 H ARG A 59 -2.627 -7.803 12.791 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.283 -5.530 13.388 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.674 -8.066 12.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.033 -6.904 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.166 -5.769 13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.465 -6.940 14.201 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.689 -8.778 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.249 -7.724 11.849 1.00 0.00 H new ATOM 0 HE ARG A 59 3.050 -6.602 14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.797 -9.335 12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.468 -9.474 12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.176 -6.788 15.085 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.249 -8.018 14.408 1.00 0.00 H new ATOM 917 N LEU A 60 -2.260 -5.552 10.244 1.00 0.00 N ATOM 918 CA LEU A 60 -2.450 -4.727 9.064 1.00 0.00 C ATOM 919 C LEU A 60 -3.122 -3.413 9.467 1.00 0.00 C ATOM 920 O LEU A 60 -2.467 -2.375 9.543 1.00 0.00 O ATOM 921 CB LEU A 60 -3.211 -5.501 7.986 1.00 0.00 C ATOM 922 CG LEU A 60 -3.115 -4.943 6.564 1.00 0.00 C ATOM 923 CD1 LEU A 60 -1.675 -4.997 6.051 1.00 0.00 C ATOM 924 CD2 LEU A 60 -4.086 -5.662 5.626 1.00 0.00 C ATOM 0 H LEU A 60 -2.667 -6.485 10.182 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.488 -4.470 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.845 -6.528 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.263 -5.540 8.269 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.409 -3.894 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.634 -4.595 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.034 -4.404 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.329 -6.031 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.997 -5.246 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.847 -6.725 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.106 -5.528 5.986 1.00 0.00 H new ATOM 936 N ARG A 61 -4.420 -3.502 9.717 1.00 0.00 N ATOM 937 CA ARG A 61 -5.188 -2.333 10.111 1.00 0.00 C ATOM 938 C ARG A 61 -4.351 -1.430 11.019 1.00 0.00 C ATOM 939 O ARG A 61 -4.324 -0.214 10.836 1.00 0.00 O ATOM 940 CB ARG A 61 -6.468 -2.737 10.845 1.00 0.00 C ATOM 941 CG ARG A 61 -7.437 -1.557 10.947 1.00 0.00 C ATOM 942 CD ARG A 61 -7.331 -0.878 12.314 1.00 0.00 C ATOM 943 NE ARG A 61 -8.547 -1.154 13.112 1.00 0.00 N ATOM 944 CZ ARG A 61 -8.660 -2.173 13.990 1.00 0.00 C ATOM 945 NH1 ARG A 61 -7.629 -3.022 14.191 1.00 0.00 N ATOM 946 NH2 ARG A 61 -9.793 -2.326 14.650 1.00 0.00 N ATOM 0 H ARG A 61 -4.959 -4.365 9.654 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.458 -1.792 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.948 -3.562 10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.221 -3.097 11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.220 -0.835 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.458 -1.905 10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.449 -1.241 12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.206 0.197 12.186 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.349 -0.536 12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.757 -2.896 13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.723 -3.789 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.566 -1.680 14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.895 -3.091 15.317 1.00 0.00 H new ATOM 959 N ASN A 62 -3.688 -2.059 11.978 1.00 0.00 N ATOM 960 CA ASN A 62 -2.853 -1.328 12.915 1.00 0.00 C ATOM 961 C ASN A 62 -1.836 -0.490 12.138 1.00 0.00 C ATOM 962 O ASN A 62 -1.782 0.729 12.293 1.00 0.00 O ATOM 963 CB ASN A 62 -2.080 -2.283 13.826 1.00 0.00 C ATOM 964 CG ASN A 62 -2.797 -2.463 15.166 1.00 0.00 C ATOM 965 OD1 ASN A 62 -2.323 -2.053 16.213 1.00 0.00 O ATOM 966 ND2 ASN A 62 -3.962 -3.097 15.075 1.00 0.00 N ATOM 0 H ASN A 62 -3.712 -3.068 12.126 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.501 -0.696 13.522 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.970 -3.250 13.335 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.075 -1.896 13.996 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.517 -3.266 15.914 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.301 -3.414 14.167 1.00 0.00 H new ATOM 973 N LEU A 63 -1.053 -1.177 11.318 1.00 0.00 N ATOM 974 CA LEU A 63 -0.041 -0.511 10.516 1.00 0.00 C ATOM 975 C LEU A 63 -0.721 0.445 9.534 1.00 0.00 C ATOM 976 O LEU A 63 -0.288 1.584 9.371 1.00 0.00 O ATOM 977 CB LEU A 63 0.871 -1.539 9.843 1.00 0.00 C ATOM 978 CG LEU A 63 2.356 -1.176 9.775 1.00 0.00 C ATOM 979 CD1 LEU A 63 3.215 -2.424 9.561 1.00 0.00 C ATOM 980 CD2 LEU A 63 2.613 -0.112 8.707 1.00 0.00 C ATOM 0 H LEU A 63 -1.099 -2.188 11.192 1.00 0.00 H new ATOM 0 HA LEU A 63 0.610 0.093 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.773 -2.485 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.511 -1.705 8.828 1.00 0.00 H new ATOM 0 HG LEU A 63 2.647 -0.745 10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.266 -2.139 9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.062 -3.117 10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.930 -2.906 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.676 0.127 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.302 -0.491 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.045 0.787 8.945 1.00 0.00 H new ATOM 992 N LEU A 64 -1.775 -0.055 8.906 1.00 0.00 N ATOM 993 CA LEU A 64 -2.519 0.741 7.944 1.00 0.00 C ATOM 994 C LEU A 64 -2.859 2.097 8.565 1.00 0.00 C ATOM 995 O LEU A 64 -2.825 3.121 7.885 1.00 0.00 O ATOM 996 CB LEU A 64 -3.743 -0.031 7.444 1.00 0.00 C ATOM 997 CG LEU A 64 -3.480 -1.070 6.352 1.00 0.00 C ATOM 998 CD1 LEU A 64 -3.589 -0.444 4.961 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.131 -1.760 6.566 1.00 0.00 C ATOM 0 H LEU A 64 -2.131 -1.001 9.044 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.911 0.938 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.202 -0.535 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.472 0.687 7.067 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.250 -1.839 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.398 -1.204 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.591 -0.038 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.856 0.357 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.968 -2.494 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.334 -1.017 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.128 -2.262 7.534 1.00 0.00 H new ATOM 1011 N ASN A 65 -3.181 2.060 9.850 1.00 0.00 N ATOM 1012 CA ASN A 65 -3.526 3.274 10.570 1.00 0.00 C ATOM 1013 C ASN A 65 -2.444 4.329 10.332 1.00 0.00 C ATOM 1014 O ASN A 65 -2.751 5.474 10.005 1.00 0.00 O ATOM 1015 CB ASN A 65 -3.612 3.015 12.076 1.00 0.00 C ATOM 1016 CG ASN A 65 -4.887 3.621 12.665 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -4.932 4.774 13.061 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -5.918 2.782 12.700 1.00 0.00 N ATOM 0 H ASN A 65 -3.210 1.208 10.411 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.495 3.618 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.594 1.942 12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.740 3.441 12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.815 3.091 13.075 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.812 1.829 12.352 1.00 0.00 H new ATOM 1025 N ALA A 66 -1.201 3.905 10.505 1.00 0.00 N ATOM 1026 CA ALA A 66 -0.072 4.799 10.313 1.00 0.00 C ATOM 1027 C ALA A 66 -0.100 5.350 8.886 1.00 0.00 C ATOM 1028 O ALA A 66 0.526 6.368 8.597 1.00 0.00 O ATOM 1029 CB ALA A 66 1.228 4.055 10.625 1.00 0.00 C ATOM 0 H ALA A 66 -0.951 2.954 10.776 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.134 5.647 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.075 4.726 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.211 3.710 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.326 3.199 9.958 1.00 0.00 H new ATOM 1035 N ALA A 67 -0.834 4.652 8.031 1.00 0.00 N ATOM 1036 CA ALA A 67 -0.952 5.059 6.641 1.00 0.00 C ATOM 1037 C ALA A 67 -2.001 6.166 6.525 1.00 0.00 C ATOM 1038 O ALA A 67 -1.914 7.020 5.644 1.00 0.00 O ATOM 1039 CB ALA A 67 -1.292 3.841 5.780 1.00 0.00 C ATOM 0 H ALA A 67 -1.352 3.808 8.274 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.007 5.462 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.381 4.146 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.501 3.097 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.237 3.412 6.114 1.00 0.00 H new ATOM 1045 N THR A 68 -2.970 6.117 7.428 1.00 0.00 N ATOM 1046 CA THR A 68 -4.035 7.105 7.439 1.00 0.00 C ATOM 1047 C THR A 68 -3.936 7.982 8.688 1.00 0.00 C ATOM 1048 O THR A 68 -3.545 9.145 8.605 1.00 0.00 O ATOM 1049 CB THR A 68 -5.368 6.364 7.320 1.00 0.00 C ATOM 1050 OG1 THR A 68 -5.234 5.262 8.213 1.00 0.00 O ATOM 1051 CG2 THR A 68 -5.556 5.713 5.949 1.00 0.00 C ATOM 0 H THR A 68 -3.039 5.408 8.158 1.00 0.00 H new ATOM 0 HA THR A 68 -3.950 7.788 6.594 1.00 0.00 H new ATOM 0 HB THR A 68 -6.187 7.059 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.865 5.364 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.518 5.201 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.529 6.480 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.756 4.994 5.775 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.298 7.391 9.817 1.00 0.00 N ATOM 1060 CA GLY A 69 -4.255 8.104 11.083 1.00 0.00 C ATOM 1061 C GLY A 69 -5.600 8.017 11.807 1.00 0.00 C ATOM 1062 O GLY A 69 -5.764 8.580 12.888 1.00 0.00 O ATOM 0 H GLY A 69 -4.623 6.426 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.471 7.685 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.999 9.149 10.907 1.00 0.00 H new ATOM 1066 N LEU A 70 -6.528 7.308 11.181 1.00 0.00 N ATOM 1067 CA LEU A 70 -7.853 7.141 11.752 1.00 0.00 C ATOM 1068 C LEU A 70 -8.029 5.690 12.205 1.00 0.00 C ATOM 1069 O LEU A 70 -7.115 4.878 12.069 1.00 0.00 O ATOM 1070 CB LEU A 70 -8.925 7.611 10.767 1.00 0.00 C ATOM 1071 CG LEU A 70 -8.585 7.459 9.283 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -8.586 5.986 8.869 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -9.525 8.299 8.416 1.00 0.00 C ATOM 0 H LEU A 70 -6.388 6.843 10.284 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.968 7.768 12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.842 7.058 10.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.137 8.662 10.965 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.576 7.838 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.341 5.906 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.844 5.443 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.573 5.559 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.261 8.173 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.553 7.974 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.431 9.350 8.690 1.00 0.00 H new ATOM 1085 N ARG A 71 -9.211 5.408 12.734 1.00 0.00 N ATOM 1086 CA ARG A 71 -9.518 4.069 13.208 1.00 0.00 C ATOM 1087 C ARG A 71 -10.045 3.207 12.059 1.00 0.00 C ATOM 1088 O ARG A 71 -11.226 2.866 12.025 1.00 0.00 O ATOM 1089 CB ARG A 71 -10.560 4.106 14.328 1.00 0.00 C ATOM 1090 CG ARG A 71 -9.890 4.251 15.696 1.00 0.00 C ATOM 1091 CD ARG A 71 -10.931 4.468 16.796 1.00 0.00 C ATOM 1092 NE ARG A 71 -10.405 5.406 17.812 1.00 0.00 N ATOM 1093 CZ ARG A 71 -11.107 5.835 18.882 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -12.374 5.413 19.085 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -10.537 6.673 19.728 1.00 0.00 N ATOM 0 H ARG A 71 -9.967 6.084 12.845 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.597 3.637 13.599 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.245 4.938 14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.156 3.193 14.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.305 3.358 15.915 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.195 5.090 15.677 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.851 4.864 16.365 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.182 3.516 17.263 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.452 5.750 17.697 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.807 4.765 18.427 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.897 5.742 19.896 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.580 6.987 19.568 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.054 7.007 20.542 1.00 0.00 H new ATOM 1108 N LEU A 72 -9.143 2.879 11.145 1.00 0.00 N ATOM 1109 CA LEU A 72 -9.502 2.064 9.998 1.00 0.00 C ATOM 1110 C LEU A 72 -10.365 0.889 10.462 1.00 0.00 C ATOM 1111 O LEU A 72 -10.362 0.541 11.642 1.00 0.00 O ATOM 1112 CB LEU A 72 -8.249 1.641 9.228 1.00 0.00 C ATOM 1113 CG LEU A 72 -7.626 2.705 8.323 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -6.230 2.284 7.862 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -8.546 3.029 7.144 1.00 0.00 C ATOM 0 H LEU A 72 -8.164 3.163 11.176 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.101 2.641 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.496 1.319 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.498 0.773 8.617 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.511 3.621 8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.810 3.058 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.587 2.144 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.297 1.349 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.079 3.788 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.716 2.127 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.499 3.403 7.518 1.00 0.00 H new ATOM 1127 N PRO A 73 -11.101 0.295 9.485 1.00 0.00 N ATOM 1128 CA PRO A 73 -11.967 -0.834 9.782 1.00 0.00 C ATOM 1129 C PRO A 73 -11.150 -2.111 9.992 1.00 0.00 C ATOM 1130 O PRO A 73 -10.090 -2.280 9.391 1.00 0.00 O ATOM 1131 CB PRO A 73 -12.916 -0.924 8.599 1.00 0.00 C ATOM 1132 CG PRO A 73 -12.256 -0.143 7.474 1.00 0.00 C ATOM 1133 CD PRO A 73 -11.129 0.680 8.078 1.00 0.00 C ATOM 0 HA PRO A 73 -12.522 -0.706 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.081 -1.962 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.890 -0.503 8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.869 -0.822 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.981 0.505 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.178 0.467 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.314 1.748 7.963 1.00 0.00 H new ATOM 1141 N SER A 74 -11.674 -2.977 10.847 1.00 0.00 N ATOM 1142 CA SER A 74 -11.007 -4.233 11.143 1.00 0.00 C ATOM 1143 C SER A 74 -11.385 -5.285 10.098 1.00 0.00 C ATOM 1144 O SER A 74 -10.702 -6.298 9.957 1.00 0.00 O ATOM 1145 CB SER A 74 -11.363 -4.728 12.546 1.00 0.00 C ATOM 1146 OG SER A 74 -12.769 -4.880 12.719 1.00 0.00 O ATOM 0 H SER A 74 -12.553 -2.833 11.344 1.00 0.00 H new ATOM 0 HA SER A 74 -9.931 -4.065 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.870 -5.683 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.981 -4.025 13.286 1.00 0.00 H new ATOM 0 HG SER A 74 -12.954 -5.199 13.627 1.00 0.00 H new ATOM 1152 N THR A 75 -12.472 -5.009 9.392 1.00 0.00 N ATOM 1153 CA THR A 75 -12.949 -5.919 8.365 1.00 0.00 C ATOM 1154 C THR A 75 -12.318 -5.575 7.014 1.00 0.00 C ATOM 1155 O THR A 75 -12.564 -6.254 6.019 1.00 0.00 O ATOM 1156 CB THR A 75 -14.477 -5.861 8.354 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.771 -4.486 8.123 1.00 0.00 O ATOM 1158 CG2 THR A 75 -15.084 -6.145 9.730 1.00 0.00 C ATOM 0 H THR A 75 -13.036 -4.168 9.511 1.00 0.00 H new ATOM 0 HA THR A 75 -12.650 -6.946 8.576 1.00 0.00 H new ATOM 0 HB THR A 75 -14.862 -6.581 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.742 -4.359 8.099 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.171 -6.091 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.789 -7.141 10.059 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.725 -5.405 10.446 1.00 0.00 H new ATOM 1166 N LEU A 76 -11.517 -4.519 7.022 1.00 0.00 N ATOM 1167 CA LEU A 76 -10.849 -4.077 5.810 1.00 0.00 C ATOM 1168 C LEU A 76 -10.167 -5.273 5.143 1.00 0.00 C ATOM 1169 O LEU A 76 -10.357 -5.517 3.953 1.00 0.00 O ATOM 1170 CB LEU A 76 -9.899 -2.917 6.114 1.00 0.00 C ATOM 1171 CG LEU A 76 -9.306 -2.200 4.900 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -9.113 -0.709 5.185 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -8.007 -2.870 4.448 1.00 0.00 C ATOM 0 H LEU A 76 -11.316 -3.957 7.849 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.574 -3.685 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.434 -2.184 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.079 -3.296 6.724 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.014 -2.282 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.690 -0.222 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.076 -0.256 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.435 -0.585 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.606 -2.341 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.281 -2.841 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.207 -3.907 4.178 1.00 0.00 H new ATOM 1185 N VAL A 77 -9.385 -5.987 5.940 1.00 0.00 N ATOM 1186 CA VAL A 77 -8.673 -7.151 5.442 1.00 0.00 C ATOM 1187 C VAL A 77 -9.661 -8.089 4.745 1.00 0.00 C ATOM 1188 O VAL A 77 -9.260 -8.948 3.961 1.00 0.00 O ATOM 1189 CB VAL A 77 -7.912 -7.827 6.584 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -7.233 -9.112 6.105 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -6.895 -6.870 7.208 1.00 0.00 C ATOM 0 H VAL A 77 -9.229 -5.781 6.927 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.929 -6.855 4.703 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.635 -8.096 7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.699 -9.573 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.987 -9.804 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.529 -8.876 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.368 -7.376 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.178 -6.555 6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.413 -5.996 7.603 1.00 0.00 H new ATOM 1201 N PHE A 78 -10.934 -7.891 5.055 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.983 -8.708 4.468 1.00 0.00 C ATOM 1203 C PHE A 78 -12.698 -7.957 3.343 1.00 0.00 C ATOM 1204 O PHE A 78 -12.917 -8.508 2.266 1.00 0.00 O ATOM 1205 CB PHE A 78 -12.988 -9.013 5.581 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.493 -10.457 5.584 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.491 -10.830 4.739 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -12.944 -11.368 6.432 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.960 -12.171 4.742 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -13.413 -12.708 6.436 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.412 -13.081 5.591 1.00 0.00 C ATOM 0 H PHE A 78 -11.263 -7.177 5.705 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.554 -9.617 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -12.524 -8.799 6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.840 -8.341 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.927 -10.107 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.151 -11.072 7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.752 -12.468 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -12.977 -13.431 7.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 -14.770 -14.100 5.595 1.00 0.00 H new ATOM 1221 N ASP A 79 -13.042 -6.711 3.633 1.00 0.00 N ATOM 1222 CA ASP A 79 -13.728 -5.879 2.659 1.00 0.00 C ATOM 1223 C ASP A 79 -12.774 -5.557 1.507 1.00 0.00 C ATOM 1224 O ASP A 79 -13.212 -5.202 0.414 1.00 0.00 O ATOM 1225 CB ASP A 79 -14.178 -4.556 3.283 1.00 0.00 C ATOM 1226 CG ASP A 79 -15.361 -3.882 2.588 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -15.565 -4.041 1.375 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -16.103 -3.155 3.354 1.00 0.00 O ATOM 0 H ASP A 79 -12.859 -6.258 4.528 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.601 -6.426 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.442 -4.735 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.334 -3.866 3.282 1.00 0.00 H new ATOM 1234 N HIS A 80 -11.487 -5.693 1.791 1.00 0.00 N ATOM 1235 CA HIS A 80 -10.467 -5.421 0.793 1.00 0.00 C ATOM 1236 C HIS A 80 -10.068 -6.725 0.099 1.00 0.00 C ATOM 1237 O HIS A 80 -9.460 -7.599 0.715 1.00 0.00 O ATOM 1238 CB HIS A 80 -9.276 -4.693 1.417 1.00 0.00 C ATOM 1239 CG HIS A 80 -8.040 -5.549 1.562 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -7.374 -5.706 2.765 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -7.358 -6.293 0.644 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.339 -6.509 2.568 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -6.331 -6.871 1.253 1.00 0.00 N ATOM 0 H HIS A 80 -11.127 -5.988 2.699 1.00 0.00 H new ATOM 0 HA HIS A 80 -10.868 -4.752 0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.034 -3.824 0.806 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.565 -4.321 2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.611 -6.394 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.627 -6.822 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.647 -7.485 0.810 1.00 0.00 H new ATOM 1251 N PRO A 81 -10.436 -6.817 -1.207 1.00 0.00 N ATOM 1252 CA PRO A 81 -10.123 -7.999 -1.992 1.00 0.00 C ATOM 1253 C PRO A 81 -8.640 -8.029 -2.371 1.00 0.00 C ATOM 1254 O PRO A 81 -8.036 -9.098 -2.445 1.00 0.00 O ATOM 1255 CB PRO A 81 -11.043 -7.926 -3.199 1.00 0.00 C ATOM 1256 CG PRO A 81 -11.504 -6.480 -3.284 1.00 0.00 C ATOM 1257 CD PRO A 81 -11.157 -5.801 -1.969 1.00 0.00 C ATOM 0 HA PRO A 81 -10.286 -8.925 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.520 -8.223 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.892 -8.601 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.016 -5.972 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.578 -6.432 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.542 -4.916 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.054 -5.474 -1.443 1.00 0.00 H new ATOM 1265 N ASN A 82 -8.097 -6.842 -2.600 1.00 0.00 N ATOM 1266 CA ASN A 82 -6.698 -6.719 -2.970 1.00 0.00 C ATOM 1267 C ASN A 82 -6.153 -5.387 -2.449 1.00 0.00 C ATOM 1268 O ASN A 82 -6.917 -4.525 -2.019 1.00 0.00 O ATOM 1269 CB ASN A 82 -6.526 -6.738 -4.490 1.00 0.00 C ATOM 1270 CG ASN A 82 -7.570 -7.642 -5.149 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -8.700 -7.252 -5.395 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -7.131 -8.868 -5.420 1.00 0.00 N ATOM 0 H ASN A 82 -8.601 -5.957 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.159 -7.561 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.617 -5.725 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.525 -7.089 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.753 -9.547 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.173 -9.130 -5.188 1.00 0.00 H new ATOM 1279 N ALA A 83 -4.835 -5.261 -2.506 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.179 -4.049 -2.045 1.00 0.00 C ATOM 1281 C ALA A 83 -4.767 -2.845 -2.782 1.00 0.00 C ATOM 1282 O ALA A 83 -5.245 -1.901 -2.154 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.668 -4.177 -2.250 1.00 0.00 C ATOM 0 H ALA A 83 -4.204 -5.978 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.352 -3.900 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.176 -3.268 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.295 -5.030 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.456 -4.324 -3.309 1.00 0.00 H new ATOM 1289 N SER A 84 -4.713 -2.916 -4.104 1.00 0.00 N ATOM 1290 CA SER A 84 -5.234 -1.843 -4.933 1.00 0.00 C ATOM 1291 C SER A 84 -6.494 -1.253 -4.296 1.00 0.00 C ATOM 1292 O SER A 84 -6.695 -0.040 -4.316 1.00 0.00 O ATOM 1293 CB SER A 84 -5.538 -2.338 -6.349 1.00 0.00 C ATOM 1294 OG SER A 84 -5.059 -1.437 -7.344 1.00 0.00 O ATOM 0 H SER A 84 -4.316 -3.700 -4.621 1.00 0.00 H new ATOM 0 HA SER A 84 -4.472 -1.066 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.082 -3.317 -6.497 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.614 -2.467 -6.465 1.00 0.00 H new ATOM 0 HG SER A 84 -5.271 -1.789 -8.234 1.00 0.00 H new ATOM 1300 N ALA A 85 -7.310 -2.140 -3.745 1.00 0.00 N ATOM 1301 CA ALA A 85 -8.544 -1.723 -3.102 1.00 0.00 C ATOM 1302 C ALA A 85 -8.217 -1.034 -1.776 1.00 0.00 C ATOM 1303 O ALA A 85 -8.670 0.081 -1.522 1.00 0.00 O ATOM 1304 CB ALA A 85 -9.460 -2.935 -2.919 1.00 0.00 C ATOM 0 H ALA A 85 -7.140 -3.146 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.076 -1.003 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.386 -2.622 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.687 -3.370 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.960 -3.678 -2.298 1.00 0.00 H new ATOM 1310 N VAL A 86 -7.431 -1.727 -0.965 1.00 0.00 N ATOM 1311 CA VAL A 86 -7.037 -1.196 0.329 1.00 0.00 C ATOM 1312 C VAL A 86 -6.747 0.300 0.195 1.00 0.00 C ATOM 1313 O VAL A 86 -7.220 1.103 0.998 1.00 0.00 O ATOM 1314 CB VAL A 86 -5.850 -1.988 0.881 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -5.209 -1.262 2.066 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -6.270 -3.407 1.269 1.00 0.00 C ATOM 0 H VAL A 86 -7.056 -2.651 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.847 -1.307 1.050 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.103 -2.064 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.368 -1.847 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.856 -0.282 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.946 -1.139 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.408 -3.948 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.045 -3.361 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.657 -3.925 0.391 1.00 0.00 H new ATOM 1326 N ALA A 87 -5.970 0.630 -0.826 1.00 0.00 N ATOM 1327 CA ALA A 87 -5.611 2.016 -1.076 1.00 0.00 C ATOM 1328 C ALA A 87 -6.875 2.878 -1.055 1.00 0.00 C ATOM 1329 O ALA A 87 -6.959 3.845 -0.300 1.00 0.00 O ATOM 1330 CB ALA A 87 -4.859 2.117 -2.405 1.00 0.00 C ATOM 0 H ALA A 87 -5.579 -0.038 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.946 2.387 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.590 3.156 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.954 1.511 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.496 1.756 -3.212 1.00 0.00 H new ATOM 1336 N GLY A 88 -7.828 2.495 -1.893 1.00 0.00 N ATOM 1337 CA GLY A 88 -9.084 3.220 -1.979 1.00 0.00 C ATOM 1338 C GLY A 88 -9.695 3.426 -0.592 1.00 0.00 C ATOM 1339 O GLY A 88 -9.821 4.558 -0.127 1.00 0.00 O ATOM 0 H GLY A 88 -7.755 1.692 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.918 4.187 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.783 2.670 -2.610 1.00 0.00 H new ATOM 1343 N PHE A 89 -10.059 2.314 0.030 1.00 0.00 N ATOM 1344 CA PHE A 89 -10.654 2.358 1.355 1.00 0.00 C ATOM 1345 C PHE A 89 -9.948 3.388 2.239 1.00 0.00 C ATOM 1346 O PHE A 89 -10.599 4.137 2.966 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.478 0.968 1.970 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.782 0.334 2.459 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.220 0.569 3.724 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -12.504 -0.464 1.627 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -13.431 -0.019 4.178 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -13.714 -1.052 2.080 1.00 0.00 C ATOM 1353 CZ PHE A 89 -14.152 -0.817 3.346 1.00 0.00 C ATOM 0 H PHE A 89 -9.953 1.377 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.704 2.641 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.021 0.310 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.784 1.038 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.647 1.203 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -12.157 -0.650 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.779 0.168 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -14.287 -1.686 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.073 -1.264 3.691 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.626 3.392 2.148 1.00 0.00 N ATOM 1364 CA LEU A 90 -7.825 4.317 2.931 1.00 0.00 C ATOM 1365 C LEU A 90 -8.042 5.739 2.410 1.00 0.00 C ATOM 1366 O LEU A 90 -8.229 6.669 3.194 1.00 0.00 O ATOM 1367 CB LEU A 90 -6.358 3.882 2.938 1.00 0.00 C ATOM 1368 CG LEU A 90 -5.987 2.792 3.946 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -6.015 1.409 3.293 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -4.637 3.088 4.602 1.00 0.00 C ATOM 0 H LEU A 90 -8.090 2.769 1.544 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.141 4.307 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.099 3.529 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.741 4.758 3.136 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.736 2.790 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.748 0.653 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.016 1.207 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.301 1.381 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.397 2.298 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.863 3.134 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.688 4.044 5.124 1.00 0.00 H new ATOM 1382 N ASP A 91 -8.009 5.864 1.092 1.00 0.00 N ATOM 1383 CA ASP A 91 -8.200 7.157 0.457 1.00 0.00 C ATOM 1384 C ASP A 91 -9.580 7.703 0.827 1.00 0.00 C ATOM 1385 O ASP A 91 -9.709 8.863 1.217 1.00 0.00 O ATOM 1386 CB ASP A 91 -8.131 7.039 -1.067 1.00 0.00 C ATOM 1387 CG ASP A 91 -7.570 8.267 -1.786 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -6.385 8.604 -1.647 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -8.417 8.899 -2.526 1.00 0.00 O ATOM 0 H ASP A 91 -7.853 5.091 0.446 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.409 7.822 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.517 6.175 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.133 6.841 -1.447 1.00 0.00 H new ATOM 1395 N ALA A 92 -10.578 6.842 0.692 1.00 0.00 N ATOM 1396 CA ALA A 92 -11.944 7.224 1.007 1.00 0.00 C ATOM 1397 C ALA A 92 -12.035 7.601 2.487 1.00 0.00 C ATOM 1398 O ALA A 92 -12.778 8.510 2.855 1.00 0.00 O ATOM 1399 CB ALA A 92 -12.892 6.081 0.637 1.00 0.00 C ATOM 0 H ALA A 92 -10.468 5.881 0.369 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.242 8.096 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.917 6.367 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.810 5.871 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.625 5.189 1.203 1.00 0.00 H new ATOM 1405 N GLU A 93 -11.269 6.884 3.296 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.254 7.132 4.727 1.00 0.00 C ATOM 1407 C GLU A 93 -10.512 8.435 5.032 1.00 0.00 C ATOM 1408 O GLU A 93 -10.774 9.080 6.046 1.00 0.00 O ATOM 1409 CB GLU A 93 -10.629 5.957 5.481 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.558 4.741 5.467 1.00 0.00 C ATOM 1411 CD GLU A 93 -12.154 4.490 6.854 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -11.412 4.421 7.844 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.438 4.367 6.881 1.00 0.00 O ATOM 0 H GLU A 93 -10.654 6.131 2.987 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.284 7.234 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.674 5.695 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.422 6.249 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.360 4.900 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.005 3.860 5.140 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.600 8.783 4.136 1.00 0.00 N ATOM 1422 CA LEU A 94 -8.818 9.998 4.296 1.00 0.00 C ATOM 1423 C LEU A 94 -9.588 11.178 3.700 1.00 0.00 C ATOM 1424 O LEU A 94 -9.383 12.323 4.100 1.00 0.00 O ATOM 1425 CB LEU A 94 -7.418 9.816 3.706 1.00 0.00 C ATOM 1426 CG LEU A 94 -6.469 8.914 4.498 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -5.199 8.618 3.697 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -6.155 9.517 5.868 1.00 0.00 C ATOM 0 H LEU A 94 -9.385 8.245 3.297 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.667 10.217 5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.519 9.409 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.956 10.798 3.607 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.969 7.961 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.541 7.975 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.464 8.115 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.686 9.552 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.479 8.856 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.683 10.491 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.079 9.634 6.434 1.00 0.00 H new ATOM 1440 N GLY A 95 -10.458 10.857 2.753 1.00 0.00 N ATOM 1441 CA GLY A 95 -11.260 11.877 2.098 1.00 0.00 C ATOM 1442 C GLY A 95 -12.680 11.372 1.833 1.00 0.00 C ATOM 1443 O GLY A 95 -13.635 12.145 1.872 1.00 0.00 O ATOM 0 H GLY A 95 -10.625 9.906 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.298 12.770 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.791 12.165 1.157 1.00 0.00 H new TER 1447 GLY A 95 END