USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) HEADER COMPLEMENT INHIBITOR 25-JUN-97 1VVC TITLE C-TERMINAL HALF OF VACCINIA VIRUS COMPLEMENT CONTROL TITLE 2 PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VACCINIA VIRUS COMPLEMENT CONTROL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: MODULES 3 AND 4; COMPND 5 SYNONYM: SP35, VCP, VACCINIA VIRUS SP35; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; SOURCE 3 ORGANISM_TAXID: 10245; SOURCE 4 GENE: C21L; SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4922; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: GS115; SOURCE 8 EXPRESSION_SYSTEM_VARIANT: HIS4; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPIC9 KEYWDS COMPLEMENT INHIBITOR, COMPLEMENT MODULE, SCR, SUSHI DOMAIN, KEYWDS 2 MODULE PAIR EXPDTA SOLUTION NMR AUTHOR A.WILES,I.D.CAMPBELL,P.N.BARLOW REVDAT 2 24-FEB-09 1VVC 1 VERSN REVDAT 1 03-DEC-97 1VVC 0 JRNL AUTH A.P.WILES,G.SHAW,J.BRIGHT,A.PERCZEL,I.D.CAMPBELL, JRNL AUTH 2 P.N.BARLOW JRNL TITL NMR STUDIES OF A VIRAL PROTEIN THAT MIMICS THE JRNL TITL 2 REGULATORS OF COMPLEMENT ACTIVATION. JRNL REF J.MOL.BIOL. V. 272 253 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9299352 JRNL DOI 10.1006/JMBI.1997.1241 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.84 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION. REMARK 4 REMARK 4 1VVC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 4.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N, 1H-NOESY HSQC, 1H-TOCSY REMARK 210 HSQC, DQF-COSY, HOHAHA REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : HOME BUILT REMARK 210 SPECTROMETER MANUFACTURER : HOME BUILT/GE REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATE ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : < 2 NOE VIOLATIONS > 0.5 A; REMARK 210 NO DIHEDRAL ANGLE VIOLATIONS > REMARK 210 5 DEGREES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 SER A 10 92.40 -39.37 REMARK 500 ASN A 11 26.12 42.26 REMARK 500 ARG A 13 -169.07 -108.61 REMARK 500 TYR A 17 36.83 167.38 REMARK 500 GLU A 18 -179.06 -171.44 REMARK 500 THR A 22 -97.10 46.07 REMARK 500 VAL A 43 -178.56 -64.97 REMARK 500 ASP A 52 66.95 62.17 REMARK 500 GLN A 57 -151.56 -114.54 REMARK 500 LYS A 60 -168.15 -63.48 REMARK 500 HIS A 63 125.62 159.78 REMARK 500 ILE A 66 163.79 179.51 REMARK 500 ASN A 68 42.79 39.65 REMARK 500 TYR A 70 -173.50 -44.57 REMARK 500 SER A 72 25.14 -145.82 REMARK 500 SER A 73 -79.02 -107.91 REMARK 500 TYR A 79 -158.24 -131.51 REMARK 500 SER A 80 -123.15 -150.07 REMARK 500 ASN A 82 -102.16 -159.36 REMARK 500 ASP A 83 75.15 45.34 REMARK 500 LYS A 90 -80.25 -41.35 REMARK 500 CYS A 103 99.41 -65.76 REMARK 500 ASN A 107 87.64 77.83 REMARK 500 THR A 108 -161.63 177.49 REMARK 500 CYS A 116 94.11 -64.94 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 13 0.32 SIDE_CHAIN REMARK 500 ARG A 77 0.18 SIDE_CHAIN REMARK 500 ARG A 118 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1VVD RELATED DB: PDB REMARK 900 RELATED ID: 1VVE RELATED DB: PDB DBREF 1VVC A 1 118 UNP P68638 VCP_VACCV 146 263 SEQRES 1 A 118 VAL LYS CYS GLN SER PRO PRO SER ILE SER ASN GLY ARG SEQRES 2 A 118 HIS ASN GLY TYR GLU ASP PHE TYR THR ASP GLY SER VAL SEQRES 3 A 118 VAL THR TYR SER CYS ASN SER GLY TYR SER LEU ILE GLY SEQRES 4 A 118 ASN SER GLY VAL LEU CYS SER GLY GLY GLU TRP SER ASP SEQRES 5 A 118 PRO PRO THR CYS GLN ILE VAL LYS CYS PRO HIS PRO THR SEQRES 6 A 118 ILE SER ASN GLY TYR LEU SER SER GLY PHE LYS ARG SER SEQRES 7 A 118 TYR SER TYR ASN ASP ASN VAL ASP PHE LYS CYS LYS TYR SEQRES 8 A 118 GLY TYR LYS LEU SER GLY SER SER SER SER THR CYS SER SEQRES 9 A 118 PRO GLY ASN THR TRP LYS PRO GLU LEU PRO LYS CYS VAL SEQRES 10 A 118 ARG SHEET 1 A 2 GLY A 12 HIS A 14 0 SHEET 2 A 2 TYR A 29 CYS A 31 -1 N SER A 30 O ARG A 13 SHEET 1 B 2 SER A 36 ILE A 38 0 SHEET 2 B 2 THR A 55 GLN A 57 -1 N GLN A 57 O SER A 36 SHEET 1 C 2 THR A 102 SER A 104 0 SHEET 2 C 2 THR A 108 LYS A 110 -1 N LYS A 110 O THR A 102 SSBOND *** CYS A 3 CYS A 45 1555 1555 2.02 SSBOND *** CYS A 31 CYS A 56 1555 1555 2.02 SSBOND *** CYS A 61 CYS A 103 1555 1555 2.01 SSBOND *** CYS A 89 CYS A 116 1555 1555 2.02 CISPEP 1 LYS A 110 PRO A 111 0 -0.47 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 84 ASN : amide:sc= -2.41! C(o=-3!,f=-6.4!) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= -0.584 USER MOD Set 2.1: A 80 SER OG : rot 180:sc= -0.672 USER MOD Set 2.2: A 82 ASN : amide:sc= -2.48 K(o=-3.2,f=-9.2!) USER MOD Set 3.1: A 68 ASN : amide:sc= -3.07! C(o=-3.4!,f=-5.6!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 139:sc= -0.307 (180deg=0) USER MOD Set 4.1: A 63 HIS : no HE2:sc= -1.63 X(o=-5.3,f=-5.1) USER MOD Set 4.2: A 79 TYR OH : rot 148:sc= -3.66! USER MOD Set 5.1: A 5 SER OG : rot 180:sc= -0.702 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -12.2! C(o=-13!,f=-14!) USER MOD Single : A 1 VAL N :NH3+ -149:sc= -0.11 (180deg=-1.06) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.0037) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.33) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 165:sc= -0.864 USER MOD Single : A 22 THR OG1 : rot 13:sc= -1.7! USER MOD Single : A 25 SER OG : rot -110:sc= 0.406 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.55! USER MOD Single : A 30 SER OG : rot 180:sc= 0.158 USER MOD Single : A 32 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.99) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -65:sc= -5.21! USER MOD Single : A 40 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00599 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 55 THR OG1 : rot -170:sc= -6.36! USER MOD Single : A 57 GLN : amide:sc= -2.17 K(o=-2.2,f=-12!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 67 SER OG : rot -55:sc= 1.13 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -44:sc= 0.241 USER MOD Single : A 73 SER OG : rot 169:sc= 0.526 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.0502 (180deg=-0.801) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 96 SER OG : rot -59:sc= 0.0687 USER MOD Single : A 98 SER OG : rot -113:sc= -1.13 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 100 SER OG : rot 0:sc= 0.976 USER MOD Single : A 101 SER OG : rot 94:sc= 0.123 USER MOD Single : A 104 SER OG : rot 180:sc= -0.107 USER MOD Single : A 107 ASN : amide:sc= -3.36! C(o=-3.4!,f=-8.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -14.917 -13.466 -30.891 1.00 1.97 N ATOM 2 CA VAL A 1 -13.587 -14.031 -30.521 1.00 1.70 C ATOM 3 C VAL A 1 -12.669 -12.925 -29.993 1.00 1.58 C ATOM 4 O VAL A 1 -12.660 -11.819 -30.496 1.00 1.74 O ATOM 5 CB VAL A 1 -13.033 -14.614 -31.821 1.00 1.83 C ATOM 6 CG1 VAL A 1 -11.605 -15.110 -31.591 1.00 2.34 C ATOM 7 CG2 VAL A 1 -13.912 -15.784 -32.267 1.00 2.24 C ATOM 0 H1 VAL A 1 -15.654 -14.185 -30.740 1.00 1.97 H new ATOM 0 H2 VAL A 1 -15.118 -12.635 -30.299 1.00 1.97 H new ATOM 0 H3 VAL A 1 -14.908 -13.184 -31.892 1.00 1.97 H new ATOM 0 HA VAL A 1 -13.660 -14.782 -29.734 1.00 1.70 H new ATOM 0 HB VAL A 1 -13.030 -13.844 -32.593 1.00 1.83 H new ATOM 0 HG11 VAL A 1 -11.210 -15.526 -32.518 1.00 2.34 H new ATOM 0 HG12 VAL A 1 -10.978 -14.278 -31.271 1.00 2.34 H new ATOM 0 HG13 VAL A 1 -11.607 -15.881 -30.820 1.00 2.34 H new ATOM 0 HG21 VAL A 1 -13.519 -16.202 -33.194 1.00 2.24 H new ATOM 0 HG22 VAL A 1 -13.914 -16.553 -31.495 1.00 2.24 H new ATOM 0 HG23 VAL A 1 -14.931 -15.432 -32.431 1.00 2.24 H new ATOM 19 N LYS A 2 -11.896 -13.215 -28.981 1.00 1.53 N ATOM 20 CA LYS A 2 -10.981 -12.178 -28.422 1.00 1.48 C ATOM 21 C LYS A 2 -9.624 -12.798 -28.074 1.00 1.36 C ATOM 22 O LYS A 2 -9.446 -13.999 -28.130 1.00 1.47 O ATOM 23 CB LYS A 2 -11.679 -11.670 -27.159 1.00 1.74 C ATOM 24 CG LYS A 2 -12.832 -10.742 -27.548 1.00 2.34 C ATOM 25 CD LYS A 2 -13.845 -10.674 -26.402 1.00 2.73 C ATOM 26 CE LYS A 2 -15.254 -10.902 -26.953 1.00 3.35 C ATOM 27 NZ LYS A 2 -15.458 -12.376 -26.888 1.00 3.90 N ATOM 0 H LYS A 2 -11.858 -14.123 -28.518 1.00 1.53 H new ATOM 0 HA LYS A 2 -10.788 -11.374 -29.132 1.00 1.48 H new ATOM 0 HB2 LYS A 2 -12.056 -12.511 -26.577 1.00 1.74 H new ATOM 0 HB3 LYS A 2 -10.968 -11.138 -26.527 1.00 1.74 H new ATOM 0 HG2 LYS A 2 -12.451 -9.745 -27.770 1.00 2.34 H new ATOM 0 HG3 LYS A 2 -13.316 -11.107 -28.454 1.00 2.34 H new ATOM 0 HD2 LYS A 2 -13.611 -11.427 -25.650 1.00 2.73 H new ATOM 0 HD3 LYS A 2 -13.788 -9.703 -25.909 1.00 2.73 H new ATOM 0 HE2 LYS A 2 -16.000 -10.374 -26.360 1.00 3.35 H new ATOM 0 HE3 LYS A 2 -15.342 -10.536 -27.976 1.00 3.35 H new ATOM 0 HZ1 LYS A 2 -16.404 -12.612 -27.250 1.00 3.90 H new ATOM 0 HZ2 LYS A 2 -14.737 -12.852 -27.467 1.00 3.90 H new ATOM 0 HZ3 LYS A 2 -15.375 -12.695 -25.902 1.00 3.90 H new ATOM 41 N CYS A 3 -8.668 -11.987 -27.716 1.00 1.31 N ATOM 42 CA CYS A 3 -7.321 -12.523 -27.364 1.00 1.19 C ATOM 43 C CYS A 3 -6.811 -11.866 -26.081 1.00 1.30 C ATOM 44 O CYS A 3 -6.131 -10.863 -26.119 1.00 1.47 O ATOM 45 CB CYS A 3 -6.422 -12.145 -28.541 1.00 1.03 C ATOM 46 SG CYS A 3 -6.258 -13.559 -29.658 1.00 1.33 S ATOM 0 H CYS A 3 -8.761 -10.973 -27.651 1.00 1.31 H new ATOM 0 HA CYS A 3 -7.341 -13.599 -27.191 1.00 1.19 H new ATOM 0 HB2 CYS A 3 -6.844 -11.294 -29.075 1.00 1.03 H new ATOM 0 HB3 CYS A 3 -5.441 -11.839 -28.179 1.00 1.03 H new ATOM 51 N GLN A 4 -7.122 -12.422 -24.945 1.00 1.41 N ATOM 52 CA GLN A 4 -6.635 -11.816 -23.674 1.00 1.57 C ATOM 53 C GLN A 4 -5.115 -11.950 -23.606 1.00 1.39 C ATOM 54 O GLN A 4 -4.513 -12.621 -24.421 1.00 1.19 O ATOM 55 CB GLN A 4 -7.294 -12.625 -22.555 1.00 1.81 C ATOM 56 CG GLN A 4 -8.775 -12.851 -22.871 1.00 2.06 C ATOM 57 CD GLN A 4 -9.077 -14.351 -22.849 1.00 2.45 C ATOM 58 OE1 GLN A 4 -9.261 -14.930 -21.797 1.00 2.94 O ATOM 59 NE2 GLN A 4 -9.135 -15.011 -23.974 1.00 2.88 N ATOM 0 H GLN A 4 -7.688 -13.264 -24.840 1.00 1.41 H new ATOM 0 HA GLN A 4 -6.881 -10.757 -23.594 1.00 1.57 H new ATOM 0 HB2 GLN A 4 -6.788 -13.584 -22.442 1.00 1.81 H new ATOM 0 HB3 GLN A 4 -7.193 -12.098 -21.606 1.00 1.81 H new ATOM 0 HG2 GLN A 4 -9.397 -12.333 -22.141 1.00 2.06 H new ATOM 0 HG3 GLN A 4 -9.017 -12.435 -23.849 1.00 2.06 H new ATOM 0 HE21 GLN A 4 -8.981 -14.526 -24.858 1.00 2.88 H new ATOM 0 HE22 GLN A 4 -9.335 -16.011 -23.969 1.00 2.88 H new ATOM 68 N SER A 5 -4.485 -11.325 -22.647 1.00 1.49 N ATOM 69 CA SER A 5 -3.002 -11.441 -22.550 1.00 1.35 C ATOM 70 C SER A 5 -2.595 -12.902 -22.772 1.00 1.21 C ATOM 71 O SER A 5 -3.297 -13.809 -22.373 1.00 1.31 O ATOM 72 CB SER A 5 -2.651 -10.970 -21.139 1.00 1.52 C ATOM 73 OG SER A 5 -1.498 -10.140 -21.196 1.00 2.07 O ATOM 0 H SER A 5 -4.928 -10.745 -21.934 1.00 1.49 H new ATOM 0 HA SER A 5 -2.478 -10.846 -23.298 1.00 1.35 H new ATOM 0 HB2 SER A 5 -3.488 -10.421 -20.707 1.00 1.52 H new ATOM 0 HB3 SER A 5 -2.465 -11.827 -20.492 1.00 1.52 H new ATOM 0 HG SER A 5 -1.270 -9.835 -20.293 1.00 2.07 H new ATOM 79 N PRO A 6 -1.488 -13.077 -23.436 1.00 1.01 N ATOM 80 CA PRO A 6 -0.990 -14.441 -23.764 1.00 0.90 C ATOM 81 C PRO A 6 -0.522 -15.197 -22.519 1.00 1.01 C ATOM 82 O PRO A 6 -0.197 -14.609 -21.512 1.00 1.11 O ATOM 83 CB PRO A 6 0.184 -14.169 -24.698 1.00 0.68 C ATOM 84 CG PRO A 6 0.639 -12.793 -24.351 1.00 0.74 C ATOM 85 CD PRO A 6 -0.593 -12.030 -23.942 1.00 0.93 C ATOM 0 HA PRO A 6 -1.765 -15.069 -24.204 1.00 0.90 H new ATOM 0 HB2 PRO A 6 0.982 -14.897 -24.552 1.00 0.68 H new ATOM 0 HB3 PRO A 6 -0.119 -14.233 -25.743 1.00 0.68 H new ATOM 0 HG2 PRO A 6 1.368 -12.817 -23.541 1.00 0.74 H new ATOM 0 HG3 PRO A 6 1.125 -12.318 -25.203 1.00 0.74 H new ATOM 0 HD2 PRO A 6 -0.370 -11.287 -23.176 1.00 0.93 H new ATOM 0 HD3 PRO A 6 -1.034 -11.497 -24.784 1.00 0.93 H new ATOM 93 N PRO A 7 -0.494 -16.495 -22.647 1.00 1.05 N ATOM 94 CA PRO A 7 -0.046 -17.363 -21.534 1.00 1.19 C ATOM 95 C PRO A 7 1.481 -17.332 -21.434 1.00 1.05 C ATOM 96 O PRO A 7 2.155 -16.764 -22.271 1.00 0.86 O ATOM 97 CB PRO A 7 -0.530 -18.749 -21.946 1.00 1.31 C ATOM 98 CG PRO A 7 -0.632 -18.701 -23.439 1.00 1.18 C ATOM 99 CD PRO A 7 -0.881 -17.266 -23.832 1.00 1.02 C ATOM 0 HA PRO A 7 -0.430 -17.055 -20.561 1.00 1.19 H new ATOM 0 HB2 PRO A 7 0.168 -19.522 -21.624 1.00 1.31 H new ATOM 0 HB3 PRO A 7 -1.494 -18.981 -21.493 1.00 1.31 H new ATOM 0 HG2 PRO A 7 0.285 -19.070 -23.898 1.00 1.18 H new ATOM 0 HG3 PRO A 7 -1.443 -19.340 -23.788 1.00 1.18 H new ATOM 0 HD2 PRO A 7 -0.288 -16.983 -24.702 1.00 1.02 H new ATOM 0 HD3 PRO A 7 -1.927 -17.100 -24.091 1.00 1.02 H new ATOM 107 N SER A 8 2.034 -17.941 -20.423 1.00 1.17 N ATOM 108 CA SER A 8 3.518 -17.945 -20.281 1.00 1.08 C ATOM 109 C SER A 8 4.147 -18.843 -21.348 1.00 1.03 C ATOM 110 O SER A 8 3.461 -19.487 -22.116 1.00 1.40 O ATOM 111 CB SER A 8 3.782 -18.505 -18.885 1.00 1.32 C ATOM 112 OG SER A 8 3.259 -19.824 -18.802 1.00 1.65 O ATOM 0 H SER A 8 1.525 -18.435 -19.690 1.00 1.17 H new ATOM 0 HA SER A 8 3.948 -16.951 -20.408 1.00 1.08 H new ATOM 0 HB2 SER A 8 4.853 -18.512 -18.680 1.00 1.32 H new ATOM 0 HB3 SER A 8 3.317 -17.869 -18.132 1.00 1.32 H new ATOM 0 HG SER A 8 3.428 -20.187 -17.908 1.00 1.65 H new ATOM 118 N ILE A 9 5.449 -18.890 -21.400 1.00 0.98 N ATOM 119 CA ILE A 9 6.124 -19.749 -22.419 1.00 0.98 C ATOM 120 C ILE A 9 7.414 -20.334 -21.882 1.00 1.12 C ATOM 121 O ILE A 9 7.715 -20.268 -20.706 1.00 1.22 O ATOM 122 CB ILE A 9 6.441 -18.860 -23.625 1.00 0.80 C ATOM 123 CG1 ILE A 9 6.674 -17.402 -23.203 1.00 0.64 C ATOM 124 CG2 ILE A 9 5.290 -18.943 -24.614 1.00 1.02 C ATOM 125 CD1 ILE A 9 8.043 -16.951 -23.717 1.00 0.60 C ATOM 0 H ILE A 9 6.076 -18.373 -20.783 1.00 0.98 H new ATOM 0 HA ILE A 9 5.470 -20.578 -22.688 1.00 0.98 H new ATOM 0 HB ILE A 9 7.360 -19.216 -24.091 1.00 0.80 H new ATOM 0 HG12 ILE A 9 5.890 -16.762 -23.608 1.00 0.64 H new ATOM 0 HG13 ILE A 9 6.630 -17.312 -22.118 1.00 0.64 H new ATOM 0 HG21 ILE A 9 5.506 -18.313 -25.477 1.00 1.02 H new ATOM 0 HG22 ILE A 9 5.165 -19.975 -24.940 1.00 1.02 H new ATOM 0 HG23 ILE A 9 4.373 -18.600 -24.135 1.00 1.02 H new ATOM 0 HD11 ILE A 9 8.219 -15.916 -23.423 1.00 0.60 H new ATOM 0 HD12 ILE A 9 8.819 -17.587 -23.291 1.00 0.60 H new ATOM 0 HD13 ILE A 9 8.067 -17.028 -24.804 1.00 0.60 H new ATOM 137 N SER A 10 8.168 -20.922 -22.758 1.00 1.21 N ATOM 138 CA SER A 10 9.448 -21.548 -22.356 1.00 1.42 C ATOM 139 C SER A 10 10.174 -20.690 -21.313 1.00 1.23 C ATOM 140 O SER A 10 10.933 -19.803 -21.646 1.00 1.27 O ATOM 141 CB SER A 10 10.267 -21.639 -23.642 1.00 1.73 C ATOM 142 OG SER A 10 9.551 -22.407 -24.601 1.00 2.28 O ATOM 0 H SER A 10 7.948 -20.996 -23.751 1.00 1.21 H new ATOM 0 HA SER A 10 9.294 -22.525 -21.897 1.00 1.42 H new ATOM 0 HB2 SER A 10 10.464 -20.641 -24.033 1.00 1.73 H new ATOM 0 HB3 SER A 10 11.234 -22.099 -23.439 1.00 1.73 H new ATOM 0 HG SER A 10 10.073 -22.466 -25.428 1.00 2.28 H new ATOM 148 N ASN A 11 9.952 -20.953 -20.054 1.00 1.21 N ATOM 149 CA ASN A 11 10.635 -20.157 -18.992 1.00 1.20 C ATOM 150 C ASN A 11 10.638 -18.669 -19.353 1.00 1.02 C ATOM 151 O ASN A 11 11.494 -17.921 -18.925 1.00 1.12 O ATOM 152 CB ASN A 11 12.065 -20.695 -18.952 1.00 1.43 C ATOM 153 CG ASN A 11 12.250 -21.566 -17.708 1.00 1.95 C ATOM 154 OD1 ASN A 11 11.699 -22.646 -17.621 1.00 2.63 O ATOM 155 ND2 ASN A 11 13.008 -21.140 -16.735 1.00 2.24 N ATOM 0 H ASN A 11 9.328 -21.684 -19.714 1.00 1.21 H new ATOM 0 HA ASN A 11 10.133 -20.247 -18.029 1.00 1.20 H new ATOM 0 HB2 ASN A 11 12.271 -21.277 -19.850 1.00 1.43 H new ATOM 0 HB3 ASN A 11 12.775 -19.868 -18.939 1.00 1.43 H new ATOM 0 HD21 ASN A 11 13.138 -21.713 -15.901 1.00 2.24 H new ATOM 0 HD22 ASN A 11 13.470 -20.234 -16.808 1.00 2.24 H new ATOM 162 N GLY A 12 9.689 -18.233 -20.135 1.00 0.84 N ATOM 163 CA GLY A 12 9.648 -16.793 -20.515 1.00 0.72 C ATOM 164 C GLY A 12 8.287 -16.203 -20.147 1.00 0.71 C ATOM 165 O GLY A 12 7.319 -16.915 -19.961 1.00 0.88 O ATOM 0 H GLY A 12 8.943 -18.809 -20.526 1.00 0.84 H new ATOM 0 HA2 GLY A 12 10.442 -16.249 -20.003 1.00 0.72 H new ATOM 0 HA3 GLY A 12 9.825 -16.684 -21.585 1.00 0.72 H new ATOM 169 N ARG A 13 8.206 -14.907 -20.039 1.00 0.71 N ATOM 170 CA ARG A 13 6.910 -14.264 -19.680 1.00 0.79 C ATOM 171 C ARG A 13 6.326 -13.536 -20.881 1.00 0.69 C ATOM 172 O ARG A 13 6.776 -13.679 -21.999 1.00 0.60 O ATOM 173 CB ARG A 13 7.255 -13.268 -18.575 1.00 1.02 C ATOM 174 CG ARG A 13 6.924 -13.882 -17.216 1.00 1.52 C ATOM 175 CD ARG A 13 8.190 -14.493 -16.612 1.00 1.90 C ATOM 176 NE ARG A 13 7.866 -14.712 -15.174 1.00 2.27 N ATOM 177 CZ ARG A 13 6.893 -15.515 -14.838 1.00 2.76 C ATOM 178 NH1 ARG A 13 7.120 -16.793 -14.698 1.00 3.19 N ATOM 179 NH2 ARG A 13 5.694 -15.040 -14.640 1.00 3.36 N ATOM 0 H ARG A 13 8.983 -14.263 -20.184 1.00 0.71 H new ATOM 0 HA ARG A 13 6.167 -14.994 -19.360 1.00 0.79 H new ATOM 0 HB2 ARG A 13 8.313 -13.009 -18.621 1.00 1.02 H new ATOM 0 HB3 ARG A 13 6.694 -12.344 -18.715 1.00 1.02 H new ATOM 0 HG2 ARG A 13 6.521 -13.120 -16.549 1.00 1.52 H new ATOM 0 HG3 ARG A 13 6.155 -14.647 -17.328 1.00 1.52 H new ATOM 0 HD2 ARG A 13 8.450 -15.430 -17.105 1.00 1.90 H new ATOM 0 HD3 ARG A 13 9.044 -13.825 -16.727 1.00 1.90 H new ATOM 0 HE ARG A 13 8.405 -14.234 -14.452 1.00 2.27 H new ATOM 0 HH11 ARG A 13 8.058 -17.164 -14.851 1.00 3.19 H new ATOM 0 HH12 ARG A 13 6.360 -17.420 -14.435 1.00 3.19 H new ATOM 0 HH21 ARG A 13 5.517 -14.041 -14.748 1.00 3.36 H new ATOM 0 HH22 ARG A 13 4.934 -15.667 -14.378 1.00 3.36 H new ATOM 193 N HIS A 14 5.319 -12.758 -20.645 1.00 0.81 N ATOM 194 CA HIS A 14 4.675 -12.002 -21.752 1.00 0.78 C ATOM 195 C HIS A 14 4.070 -10.703 -21.209 1.00 1.04 C ATOM 196 O HIS A 14 3.203 -10.719 -20.358 1.00 1.35 O ATOM 197 CB HIS A 14 3.591 -12.937 -22.284 1.00 0.81 C ATOM 198 CG HIS A 14 2.410 -12.932 -21.356 1.00 0.89 C ATOM 199 ND1 HIS A 14 1.329 -12.093 -21.556 1.00 1.01 N ATOM 200 CD2 HIS A 14 2.111 -13.672 -20.240 1.00 1.05 C ATOM 201 CE1 HIS A 14 0.432 -12.348 -20.594 1.00 1.21 C ATOM 202 NE2 HIS A 14 0.858 -13.300 -19.758 1.00 1.26 N ATOM 0 H HIS A 14 4.906 -12.609 -19.724 1.00 0.81 H new ATOM 0 HA HIS A 14 5.377 -11.717 -22.536 1.00 0.78 H new ATOM 0 HB2 HIS A 14 3.283 -12.621 -23.280 1.00 0.81 H new ATOM 0 HB3 HIS A 14 3.986 -13.949 -22.379 1.00 0.81 H new ATOM 0 HD2 HIS A 14 2.748 -14.426 -19.803 1.00 1.05 H new ATOM 0 HE1 HIS A 14 -0.520 -11.845 -20.505 1.00 1.21 H new ATOM 0 HE2 HIS A 14 0.371 -13.673 -18.943 1.00 1.26 H new ATOM 210 N ASN A 15 4.524 -9.578 -21.684 1.00 1.27 N ATOM 211 CA ASN A 15 3.971 -8.290 -21.180 1.00 1.57 C ATOM 212 C ASN A 15 4.121 -7.192 -22.235 1.00 1.64 C ATOM 213 O ASN A 15 5.172 -6.599 -22.383 1.00 2.22 O ATOM 214 CB ASN A 15 4.804 -7.961 -19.941 1.00 2.35 C ATOM 215 CG ASN A 15 3.997 -8.282 -18.682 1.00 2.94 C ATOM 216 OD1 ASN A 15 3.332 -7.423 -18.137 1.00 3.32 O ATOM 217 ND2 ASN A 15 4.026 -9.492 -18.193 1.00 3.59 N ATOM 0 H ASN A 15 5.250 -9.494 -22.395 1.00 1.27 H new ATOM 0 HA ASN A 15 2.908 -8.361 -20.952 1.00 1.57 H new ATOM 0 HB2 ASN A 15 5.730 -8.537 -19.949 1.00 2.35 H new ATOM 0 HB3 ASN A 15 5.084 -6.908 -19.947 1.00 2.35 H new ATOM 0 HD21 ASN A 15 3.491 -9.716 -17.354 1.00 3.59 H new ATOM 0 HD22 ASN A 15 4.584 -10.213 -18.650 1.00 3.59 H new ATOM 224 N GLY A 16 3.077 -6.912 -22.964 1.00 1.93 N ATOM 225 CA GLY A 16 3.156 -5.848 -24.002 1.00 2.56 C ATOM 226 C GLY A 16 2.681 -4.525 -23.401 1.00 2.62 C ATOM 227 O GLY A 16 3.449 -3.601 -23.221 1.00 3.22 O ATOM 0 H GLY A 16 2.172 -7.375 -22.885 1.00 1.93 H new ATOM 0 HA2 GLY A 16 4.180 -5.751 -24.363 1.00 2.56 H new ATOM 0 HA3 GLY A 16 2.539 -6.114 -24.860 1.00 2.56 H new ATOM 231 N TYR A 17 1.417 -4.429 -23.085 1.00 2.42 N ATOM 232 CA TYR A 17 0.885 -3.168 -22.489 1.00 2.67 C ATOM 233 C TYR A 17 -0.646 -3.183 -22.499 1.00 2.49 C ATOM 234 O TYR A 17 -1.281 -2.169 -22.714 1.00 2.68 O ATOM 235 CB TYR A 17 1.409 -2.044 -23.386 1.00 3.05 C ATOM 236 CG TYR A 17 2.462 -1.254 -22.645 1.00 3.59 C ATOM 237 CD1 TYR A 17 2.264 -0.910 -21.302 1.00 4.11 C ATOM 238 CD2 TYR A 17 3.637 -0.866 -23.301 1.00 4.08 C ATOM 239 CE1 TYR A 17 3.240 -0.177 -20.616 1.00 4.89 C ATOM 240 CE2 TYR A 17 4.613 -0.133 -22.615 1.00 4.84 C ATOM 241 CZ TYR A 17 4.414 0.211 -21.272 1.00 5.16 C ATOM 242 OH TYR A 17 5.376 0.934 -20.595 1.00 6.07 O ATOM 0 H TYR A 17 0.729 -5.170 -23.214 1.00 2.42 H new ATOM 0 HA TYR A 17 1.200 -3.042 -21.453 1.00 2.67 H new ATOM 0 HB2 TYR A 17 1.830 -2.461 -24.301 1.00 3.05 H new ATOM 0 HB3 TYR A 17 0.589 -1.389 -23.682 1.00 3.05 H new ATOM 0 HD1 TYR A 17 1.359 -1.210 -20.795 1.00 4.11 H new ATOM 0 HD2 TYR A 17 3.790 -1.132 -24.336 1.00 4.08 H new ATOM 0 HE1 TYR A 17 3.087 0.089 -19.581 1.00 4.89 H new ATOM 0 HE2 TYR A 17 5.519 0.167 -23.121 1.00 4.84 H new ATOM 0 HH TYR A 17 6.128 1.121 -21.195 1.00 6.07 H new ATOM 252 N GLU A 18 -1.250 -4.320 -22.273 1.00 2.25 N ATOM 253 CA GLU A 18 -2.740 -4.376 -22.278 1.00 2.24 C ATOM 254 C GLU A 18 -3.230 -5.739 -21.787 1.00 2.16 C ATOM 255 O GLU A 18 -2.451 -6.604 -21.439 1.00 2.29 O ATOM 256 CB GLU A 18 -3.144 -4.158 -23.737 1.00 2.31 C ATOM 257 CG GLU A 18 -2.227 -4.967 -24.661 1.00 2.28 C ATOM 258 CD GLU A 18 -1.454 -4.013 -25.575 1.00 3.09 C ATOM 259 OE1 GLU A 18 -0.626 -3.276 -25.065 1.00 3.68 O ATOM 260 OE2 GLU A 18 -1.704 -4.036 -26.768 1.00 3.63 O ATOM 0 H GLU A 18 -0.780 -5.206 -22.087 1.00 2.25 H new ATOM 0 HA GLU A 18 -3.176 -3.628 -21.616 1.00 2.24 H new ATOM 0 HB2 GLU A 18 -4.181 -4.460 -23.885 1.00 2.31 H new ATOM 0 HB3 GLU A 18 -3.082 -3.099 -23.986 1.00 2.31 H new ATOM 0 HG2 GLU A 18 -1.533 -5.564 -24.070 1.00 2.28 H new ATOM 0 HG3 GLU A 18 -2.817 -5.662 -25.258 1.00 2.28 H new ATOM 267 N ASP A 19 -4.519 -5.934 -21.758 1.00 2.22 N ATOM 268 CA ASP A 19 -5.069 -7.240 -21.292 1.00 2.21 C ATOM 269 C ASP A 19 -5.795 -7.946 -22.441 1.00 2.09 C ATOM 270 O ASP A 19 -5.806 -9.158 -22.529 1.00 2.15 O ATOM 271 CB ASP A 19 -6.052 -6.882 -20.176 1.00 2.50 C ATOM 272 CG ASP A 19 -5.323 -6.103 -19.081 1.00 2.86 C ATOM 273 OD1 ASP A 19 -4.103 -6.126 -19.075 1.00 3.31 O ATOM 274 OD2 ASP A 19 -5.997 -5.495 -18.264 1.00 3.26 O ATOM 0 H ASP A 19 -5.217 -5.245 -22.037 1.00 2.22 H new ATOM 0 HA ASP A 19 -4.288 -7.917 -20.944 1.00 2.21 H new ATOM 0 HB2 ASP A 19 -6.871 -6.285 -20.577 1.00 2.50 H new ATOM 0 HB3 ASP A 19 -6.492 -7.789 -19.760 1.00 2.50 H new ATOM 279 N PHE A 20 -6.401 -7.198 -23.321 1.00 2.09 N ATOM 280 CA PHE A 20 -7.124 -7.826 -24.464 1.00 2.04 C ATOM 281 C PHE A 20 -6.379 -7.545 -25.774 1.00 1.89 C ATOM 282 O PHE A 20 -5.877 -6.460 -25.992 1.00 2.33 O ATOM 283 CB PHE A 20 -8.501 -7.157 -24.476 1.00 2.40 C ATOM 284 CG PHE A 20 -9.454 -7.944 -23.608 1.00 2.37 C ATOM 285 CD1 PHE A 20 -9.303 -7.936 -22.217 1.00 2.98 C ATOM 286 CD2 PHE A 20 -10.491 -8.680 -24.195 1.00 2.61 C ATOM 287 CE1 PHE A 20 -10.187 -8.663 -21.411 1.00 3.52 C ATOM 288 CE2 PHE A 20 -11.376 -9.408 -23.390 1.00 3.23 C ATOM 289 CZ PHE A 20 -11.223 -9.400 -21.998 1.00 3.57 C ATOM 0 H PHE A 20 -6.427 -6.179 -23.299 1.00 2.09 H new ATOM 0 HA PHE A 20 -7.198 -8.909 -24.364 1.00 2.04 H new ATOM 0 HB2 PHE A 20 -8.422 -6.133 -24.111 1.00 2.40 H new ATOM 0 HB3 PHE A 20 -8.882 -7.104 -25.496 1.00 2.40 H new ATOM 0 HD1 PHE A 20 -8.503 -7.368 -21.765 1.00 2.98 H new ATOM 0 HD2 PHE A 20 -10.608 -8.686 -25.269 1.00 2.61 H new ATOM 0 HE1 PHE A 20 -10.070 -8.655 -20.337 1.00 3.52 H new ATOM 0 HE2 PHE A 20 -12.176 -9.975 -23.842 1.00 3.23 H new ATOM 0 HZ PHE A 20 -11.904 -9.963 -21.377 1.00 3.57 H new ATOM 299 N TYR A 21 -6.299 -8.515 -26.643 1.00 1.57 N ATOM 300 CA TYR A 21 -5.582 -8.305 -27.934 1.00 1.43 C ATOM 301 C TYR A 21 -6.474 -8.695 -29.117 1.00 1.51 C ATOM 302 O TYR A 21 -6.138 -8.473 -30.263 1.00 2.28 O ATOM 303 CB TYR A 21 -4.366 -9.215 -27.858 1.00 1.19 C ATOM 304 CG TYR A 21 -3.153 -8.379 -27.514 1.00 1.22 C ATOM 305 CD1 TYR A 21 -2.943 -7.153 -28.159 1.00 1.56 C ATOM 306 CD2 TYR A 21 -2.245 -8.821 -26.545 1.00 1.90 C ATOM 307 CE1 TYR A 21 -1.825 -6.375 -27.840 1.00 1.60 C ATOM 308 CE2 TYR A 21 -1.127 -8.042 -26.226 1.00 1.95 C ATOM 309 CZ TYR A 21 -0.916 -6.820 -26.874 1.00 1.36 C ATOM 310 OH TYR A 21 0.186 -6.053 -26.559 1.00 1.45 O ATOM 0 H TYR A 21 -6.699 -9.445 -26.515 1.00 1.57 H new ATOM 0 HA TYR A 21 -5.306 -7.261 -28.085 1.00 1.43 H new ATOM 0 HB2 TYR A 21 -4.519 -9.987 -27.104 1.00 1.19 H new ATOM 0 HB3 TYR A 21 -4.216 -9.725 -28.810 1.00 1.19 H new ATOM 0 HD1 TYR A 21 -3.645 -6.808 -28.904 1.00 1.56 H new ATOM 0 HD2 TYR A 21 -2.407 -9.764 -26.043 1.00 1.90 H new ATOM 0 HE1 TYR A 21 -1.664 -5.431 -28.339 1.00 1.60 H new ATOM 0 HE2 TYR A 21 -0.426 -8.384 -25.479 1.00 1.95 H new ATOM 0 HH TYR A 21 0.579 -6.373 -25.720 1.00 1.45 H new ATOM 320 N THR A 22 -7.608 -9.271 -28.840 1.00 1.32 N ATOM 321 CA THR A 22 -8.543 -9.679 -29.929 1.00 1.29 C ATOM 322 C THR A 22 -7.816 -10.405 -31.067 1.00 1.18 C ATOM 323 O THR A 22 -7.592 -11.596 -31.007 1.00 1.42 O ATOM 324 CB THR A 22 -9.175 -8.377 -30.428 1.00 1.43 C ATOM 325 OG1 THR A 22 -8.152 -7.480 -30.839 1.00 1.81 O ATOM 326 CG2 THR A 22 -9.992 -7.740 -29.303 1.00 1.78 C ATOM 0 H THR A 22 -7.933 -9.480 -27.896 1.00 1.32 H new ATOM 0 HA THR A 22 -9.289 -10.384 -29.562 1.00 1.29 H new ATOM 0 HB THR A 22 -9.829 -8.593 -31.273 1.00 1.43 H new ATOM 0 HG1 THR A 22 -7.300 -7.961 -30.900 1.00 1.81 H new ATOM 0 HG21 THR A 22 -10.441 -6.813 -29.660 1.00 1.78 H new ATOM 0 HG22 THR A 22 -10.778 -8.427 -28.990 1.00 1.78 H new ATOM 0 HG23 THR A 22 -9.340 -7.525 -28.457 1.00 1.78 H new ATOM 334 N ASP A 23 -7.473 -9.712 -32.116 1.00 1.17 N ATOM 335 CA ASP A 23 -6.793 -10.390 -33.257 1.00 1.10 C ATOM 336 C ASP A 23 -5.849 -9.421 -33.969 1.00 1.19 C ATOM 337 O ASP A 23 -5.954 -8.219 -33.829 1.00 1.36 O ATOM 338 CB ASP A 23 -7.936 -10.814 -34.178 1.00 1.17 C ATOM 339 CG ASP A 23 -7.387 -11.135 -35.571 1.00 1.29 C ATOM 340 OD1 ASP A 23 -6.855 -10.234 -36.198 1.00 1.61 O ATOM 341 OD2 ASP A 23 -7.509 -12.276 -35.985 1.00 1.83 O ATOM 0 H ASP A 23 -7.632 -8.711 -32.234 1.00 1.17 H new ATOM 0 HA ASP A 23 -6.182 -11.235 -32.941 1.00 1.10 H new ATOM 0 HB2 ASP A 23 -8.442 -11.687 -33.766 1.00 1.17 H new ATOM 0 HB3 ASP A 23 -8.677 -10.017 -34.244 1.00 1.17 H new ATOM 346 N GLY A 24 -4.918 -9.938 -34.722 1.00 1.15 N ATOM 347 CA GLY A 24 -3.959 -9.047 -35.431 1.00 1.29 C ATOM 348 C GLY A 24 -3.059 -8.382 -34.394 1.00 1.29 C ATOM 349 O GLY A 24 -2.392 -7.404 -34.667 1.00 1.45 O ATOM 0 H GLY A 24 -4.780 -10.937 -34.877 1.00 1.15 H new ATOM 0 HA2 GLY A 24 -3.361 -9.621 -36.139 1.00 1.29 H new ATOM 0 HA3 GLY A 24 -4.497 -8.293 -36.006 1.00 1.29 H new ATOM 353 N SER A 25 -3.043 -8.908 -33.200 1.00 1.17 N ATOM 354 CA SER A 25 -2.196 -8.312 -32.131 1.00 1.20 C ATOM 355 C SER A 25 -0.881 -9.067 -32.014 1.00 1.07 C ATOM 356 O SER A 25 -0.652 -10.054 -32.684 1.00 0.99 O ATOM 357 CB SER A 25 -3.001 -8.471 -30.844 1.00 1.19 C ATOM 358 OG SER A 25 -4.130 -9.300 -31.088 1.00 1.51 O ATOM 0 H SER A 25 -3.582 -9.727 -32.919 1.00 1.17 H new ATOM 0 HA SER A 25 -1.955 -7.270 -32.341 1.00 1.20 H new ATOM 0 HB2 SER A 25 -2.377 -8.909 -30.065 1.00 1.19 H new ATOM 0 HB3 SER A 25 -3.325 -7.495 -30.483 1.00 1.19 H new ATOM 0 HG SER A 25 -4.948 -8.762 -31.040 1.00 1.51 H new ATOM 364 N VAL A 26 -0.017 -8.613 -31.157 1.00 1.11 N ATOM 365 CA VAL A 26 1.280 -9.308 -30.988 1.00 1.01 C ATOM 366 C VAL A 26 1.810 -9.097 -29.576 1.00 0.97 C ATOM 367 O VAL A 26 1.460 -8.147 -28.905 1.00 1.10 O ATOM 368 CB VAL A 26 2.210 -8.671 -32.018 1.00 1.20 C ATOM 369 CG1 VAL A 26 3.659 -9.026 -31.690 1.00 1.16 C ATOM 370 CG2 VAL A 26 1.863 -9.197 -33.409 1.00 1.28 C ATOM 0 H VAL A 26 -0.153 -7.792 -30.567 1.00 1.11 H new ATOM 0 HA VAL A 26 1.194 -10.385 -31.134 1.00 1.01 H new ATOM 0 HB VAL A 26 2.088 -7.588 -31.994 1.00 1.20 H new ATOM 0 HG11 VAL A 26 4.321 -8.570 -32.426 1.00 1.16 H new ATOM 0 HG12 VAL A 26 3.909 -8.653 -30.697 1.00 1.16 H new ATOM 0 HG13 VAL A 26 3.782 -10.109 -31.712 1.00 1.16 H new ATOM 0 HG21 VAL A 26 2.526 -8.743 -34.145 1.00 1.28 H new ATOM 0 HG22 VAL A 26 1.985 -10.280 -33.429 1.00 1.28 H new ATOM 0 HG23 VAL A 26 0.830 -8.944 -33.646 1.00 1.28 H new ATOM 380 N VAL A 27 2.642 -9.983 -29.112 1.00 0.84 N ATOM 381 CA VAL A 27 3.172 -9.826 -27.732 1.00 0.82 C ATOM 382 C VAL A 27 4.628 -10.235 -27.640 1.00 0.80 C ATOM 383 O VAL A 27 4.988 -11.363 -27.908 1.00 0.71 O ATOM 384 CB VAL A 27 2.316 -10.750 -26.881 1.00 0.69 C ATOM 385 CG1 VAL A 27 2.986 -10.998 -25.526 1.00 0.70 C ATOM 386 CG2 VAL A 27 0.979 -10.081 -26.660 1.00 0.81 C ATOM 0 H VAL A 27 2.976 -10.801 -29.622 1.00 0.84 H new ATOM 0 HA VAL A 27 3.128 -8.787 -27.407 1.00 0.82 H new ATOM 0 HB VAL A 27 2.191 -11.707 -27.388 1.00 0.69 H new ATOM 0 HG11 VAL A 27 2.362 -11.661 -24.927 1.00 0.70 H new ATOM 0 HG12 VAL A 27 3.961 -11.460 -25.681 1.00 0.70 H new ATOM 0 HG13 VAL A 27 3.113 -10.050 -25.004 1.00 0.70 H new ATOM 0 HG21 VAL A 27 0.346 -10.726 -26.051 1.00 0.81 H new ATOM 0 HG22 VAL A 27 1.128 -9.130 -26.148 1.00 0.81 H new ATOM 0 HG23 VAL A 27 0.498 -9.904 -27.622 1.00 0.81 H new ATOM 396 N THR A 28 5.465 -9.342 -27.216 1.00 0.93 N ATOM 397 CA THR A 28 6.880 -9.717 -27.063 1.00 0.94 C ATOM 398 C THR A 28 6.994 -10.579 -25.812 1.00 0.80 C ATOM 399 O THR A 28 6.923 -10.091 -24.702 1.00 0.84 O ATOM 400 CB THR A 28 7.650 -8.405 -26.908 1.00 1.13 C ATOM 401 OG1 THR A 28 6.758 -7.308 -27.054 1.00 1.24 O ATOM 402 CG2 THR A 28 8.735 -8.328 -27.980 1.00 1.25 C ATOM 0 H THR A 28 5.231 -8.380 -26.972 1.00 0.93 H new ATOM 0 HA THR A 28 7.275 -10.281 -27.908 1.00 0.94 H new ATOM 0 HB THR A 28 8.109 -8.366 -25.920 1.00 1.13 H new ATOM 0 HG1 THR A 28 7.253 -6.468 -26.953 1.00 1.24 H new ATOM 0 HG21 THR A 28 9.286 -7.394 -27.873 1.00 1.25 H new ATOM 0 HG22 THR A 28 9.419 -9.169 -27.866 1.00 1.25 H new ATOM 0 HG23 THR A 28 8.274 -8.366 -28.967 1.00 1.25 H new ATOM 410 N TYR A 29 7.134 -11.860 -25.978 1.00 0.69 N ATOM 411 CA TYR A 29 7.210 -12.748 -24.789 1.00 0.59 C ATOM 412 C TYR A 29 8.509 -12.481 -24.023 1.00 0.67 C ATOM 413 O TYR A 29 9.592 -12.627 -24.551 1.00 0.88 O ATOM 414 CB TYR A 29 7.218 -14.171 -25.357 1.00 0.54 C ATOM 415 CG TYR A 29 5.809 -14.709 -25.498 1.00 0.45 C ATOM 416 CD1 TYR A 29 4.700 -13.875 -25.306 1.00 1.19 C ATOM 417 CD2 TYR A 29 5.617 -16.057 -25.826 1.00 1.35 C ATOM 418 CE1 TYR A 29 3.405 -14.390 -25.441 1.00 1.21 C ATOM 419 CE2 TYR A 29 4.323 -16.571 -25.960 1.00 1.32 C ATOM 420 CZ TYR A 29 3.216 -15.739 -25.766 1.00 0.43 C ATOM 421 OH TYR A 29 1.939 -16.245 -25.899 1.00 0.49 O ATOM 0 H TYR A 29 7.199 -12.330 -26.881 1.00 0.69 H new ATOM 0 HA TYR A 29 6.383 -12.586 -24.098 1.00 0.59 H new ATOM 0 HB2 TYR A 29 7.711 -14.175 -26.329 1.00 0.54 H new ATOM 0 HB3 TYR A 29 7.796 -14.824 -24.703 1.00 0.54 H new ATOM 0 HD1 TYR A 29 4.844 -12.835 -25.054 1.00 1.19 H new ATOM 0 HD2 TYR A 29 6.471 -16.702 -25.976 1.00 1.35 H new ATOM 0 HE1 TYR A 29 2.551 -13.746 -25.294 1.00 1.21 H new ATOM 0 HE2 TYR A 29 4.179 -17.611 -26.213 1.00 1.32 H new ATOM 0 HH TYR A 29 1.986 -17.197 -26.128 1.00 0.49 H new ATOM 431 N SER A 30 8.411 -12.092 -22.781 1.00 0.70 N ATOM 432 CA SER A 30 9.644 -11.820 -21.989 1.00 0.76 C ATOM 433 C SER A 30 10.379 -13.131 -21.703 1.00 0.68 C ATOM 434 O SER A 30 9.800 -14.199 -21.737 1.00 0.74 O ATOM 435 CB SER A 30 9.155 -11.185 -20.685 1.00 0.85 C ATOM 436 OG SER A 30 7.774 -10.867 -20.800 1.00 1.36 O ATOM 0 H SER A 30 7.533 -11.951 -22.282 1.00 0.70 H new ATOM 0 HA SER A 30 10.339 -11.168 -22.518 1.00 0.76 H new ATOM 0 HB2 SER A 30 9.313 -11.871 -19.853 1.00 0.85 H new ATOM 0 HB3 SER A 30 9.730 -10.284 -20.469 1.00 0.85 H new ATOM 0 HG SER A 30 7.461 -10.462 -19.964 1.00 1.36 H new ATOM 442 N CYS A 31 11.652 -13.060 -21.427 1.00 0.70 N ATOM 443 CA CYS A 31 12.422 -14.305 -21.144 1.00 0.68 C ATOM 444 C CYS A 31 13.166 -14.176 -19.812 1.00 0.68 C ATOM 445 O CYS A 31 13.448 -13.088 -19.350 1.00 0.74 O ATOM 446 CB CYS A 31 13.413 -14.425 -22.301 1.00 0.80 C ATOM 447 SG CYS A 31 12.503 -14.546 -23.860 1.00 1.03 S ATOM 0 H CYS A 31 12.192 -12.196 -21.385 1.00 0.70 H new ATOM 0 HA CYS A 31 11.778 -15.181 -21.064 1.00 0.68 H new ATOM 0 HB2 CYS A 31 14.074 -13.559 -22.319 1.00 0.80 H new ATOM 0 HB3 CYS A 31 14.043 -15.304 -22.165 1.00 0.80 H new ATOM 452 N ASN A 32 13.486 -15.278 -19.193 1.00 0.71 N ATOM 453 CA ASN A 32 14.212 -15.218 -17.892 1.00 0.74 C ATOM 454 C ASN A 32 15.541 -14.476 -18.062 1.00 0.78 C ATOM 455 O ASN A 32 16.190 -14.570 -19.085 1.00 0.88 O ATOM 456 CB ASN A 32 14.456 -16.678 -17.507 1.00 0.91 C ATOM 457 CG ASN A 32 13.682 -17.005 -16.229 1.00 1.23 C ATOM 458 OD1 ASN A 32 12.627 -16.453 -15.986 1.00 1.86 O ATOM 459 ND2 ASN A 32 14.163 -17.887 -15.396 1.00 1.76 N ATOM 0 H ASN A 32 13.277 -16.217 -19.531 1.00 0.71 H new ATOM 0 HA ASN A 32 13.647 -14.685 -17.127 1.00 0.74 H new ATOM 0 HB2 ASN A 32 14.138 -17.336 -18.316 1.00 0.91 H new ATOM 0 HB3 ASN A 32 15.521 -16.852 -17.354 1.00 0.91 H new ATOM 0 HD21 ASN A 32 13.653 -18.113 -14.542 1.00 1.76 H new ATOM 0 HD22 ASN A 32 15.048 -18.351 -15.599 1.00 1.76 H new ATOM 466 N SER A 33 15.949 -13.736 -17.067 1.00 0.90 N ATOM 467 CA SER A 33 17.233 -12.986 -17.171 1.00 1.11 C ATOM 468 C SER A 33 18.364 -13.924 -17.601 1.00 0.94 C ATOM 469 O SER A 33 18.767 -14.804 -16.867 1.00 1.09 O ATOM 470 CB SER A 33 17.490 -12.446 -15.765 1.00 1.50 C ATOM 471 OG SER A 33 17.087 -11.084 -15.703 1.00 2.14 O ATOM 0 H SER A 33 15.448 -13.618 -16.186 1.00 0.90 H new ATOM 0 HA SER A 33 17.185 -12.189 -17.913 1.00 1.11 H new ATOM 0 HB2 SER A 33 16.939 -13.034 -15.031 1.00 1.50 H new ATOM 0 HB3 SER A 33 18.547 -12.536 -15.516 1.00 1.50 H new ATOM 0 HG SER A 33 17.249 -10.736 -14.802 1.00 2.14 H new ATOM 477 N GLY A 34 18.881 -13.741 -18.786 1.00 0.95 N ATOM 478 CA GLY A 34 19.988 -14.620 -19.260 1.00 0.95 C ATOM 479 C GLY A 34 19.463 -15.575 -20.335 1.00 0.94 C ATOM 480 O GLY A 34 20.156 -16.471 -20.774 1.00 1.10 O ATOM 0 H GLY A 34 18.585 -13.022 -19.446 1.00 0.95 H new ATOM 0 HA2 GLY A 34 20.800 -14.014 -19.663 1.00 0.95 H new ATOM 0 HA3 GLY A 34 20.398 -15.187 -18.425 1.00 0.95 H new ATOM 484 N TYR A 35 18.244 -15.391 -20.763 1.00 0.85 N ATOM 485 CA TYR A 35 17.677 -16.289 -21.810 1.00 0.87 C ATOM 486 C TYR A 35 17.416 -15.502 -23.098 1.00 0.89 C ATOM 487 O TYR A 35 16.935 -14.387 -23.067 1.00 0.92 O ATOM 488 CB TYR A 35 16.364 -16.802 -21.217 1.00 0.84 C ATOM 489 CG TYR A 35 16.639 -18.016 -20.361 1.00 0.89 C ATOM 490 CD1 TYR A 35 16.981 -17.861 -19.013 1.00 1.50 C ATOM 491 CD2 TYR A 35 16.553 -19.297 -20.918 1.00 1.53 C ATOM 492 CE1 TYR A 35 17.237 -18.988 -18.222 1.00 1.54 C ATOM 493 CE2 TYR A 35 16.809 -20.423 -20.128 1.00 1.61 C ATOM 494 CZ TYR A 35 17.151 -20.269 -18.780 1.00 1.07 C ATOM 495 OH TYR A 35 17.405 -21.380 -18.001 1.00 1.19 O ATOM 0 H TYR A 35 17.616 -14.658 -20.433 1.00 0.85 H new ATOM 0 HA TYR A 35 18.354 -17.103 -22.070 1.00 0.87 H new ATOM 0 HB2 TYR A 35 15.893 -16.022 -20.620 1.00 0.84 H new ATOM 0 HB3 TYR A 35 15.667 -17.057 -22.015 1.00 0.84 H new ATOM 0 HD1 TYR A 35 17.048 -16.873 -18.583 1.00 1.50 H new ATOM 0 HD2 TYR A 35 16.289 -19.416 -21.958 1.00 1.53 H new ATOM 0 HE1 TYR A 35 17.501 -18.869 -17.182 1.00 1.54 H new ATOM 0 HE2 TYR A 35 16.743 -21.411 -20.559 1.00 1.61 H new ATOM 0 HH TYR A 35 17.300 -22.190 -18.543 1.00 1.19 H new ATOM 505 N SER A 36 17.733 -16.072 -24.230 1.00 0.98 N ATOM 506 CA SER A 36 17.505 -15.350 -25.516 1.00 1.04 C ATOM 507 C SER A 36 16.093 -15.606 -26.038 1.00 1.00 C ATOM 508 O SER A 36 15.578 -16.704 -25.958 1.00 0.99 O ATOM 509 CB SER A 36 18.531 -15.924 -26.490 1.00 1.20 C ATOM 510 OG SER A 36 19.133 -14.860 -27.212 1.00 1.89 O ATOM 0 H SER A 36 18.139 -17.003 -24.320 1.00 0.98 H new ATOM 0 HA SER A 36 17.610 -14.272 -25.392 1.00 1.04 H new ATOM 0 HB2 SER A 36 19.290 -16.487 -25.947 1.00 1.20 H new ATOM 0 HB3 SER A 36 18.049 -16.619 -27.177 1.00 1.20 H new ATOM 0 HG SER A 36 18.459 -14.422 -27.772 1.00 1.89 H new ATOM 516 N LEU A 37 15.470 -14.603 -26.591 1.00 1.01 N ATOM 517 CA LEU A 37 14.101 -14.792 -27.141 1.00 0.98 C ATOM 518 C LEU A 37 14.199 -15.177 -28.616 1.00 1.09 C ATOM 519 O LEU A 37 14.416 -14.343 -29.472 1.00 1.20 O ATOM 520 CB LEU A 37 13.412 -13.437 -26.986 1.00 0.96 C ATOM 521 CG LEU A 37 12.026 -13.500 -27.627 1.00 0.95 C ATOM 522 CD1 LEU A 37 10.960 -13.520 -26.532 1.00 0.93 C ATOM 523 CD2 LEU A 37 11.816 -12.274 -28.518 1.00 1.01 C ATOM 0 H LEU A 37 15.850 -13.661 -26.685 1.00 1.01 H new ATOM 0 HA LEU A 37 13.549 -15.580 -26.629 1.00 0.98 H new ATOM 0 HB2 LEU A 37 13.326 -13.178 -25.931 1.00 0.96 H new ATOM 0 HB3 LEU A 37 14.009 -12.656 -27.458 1.00 0.96 H new ATOM 0 HG LEU A 37 11.947 -14.404 -28.231 1.00 0.95 H new ATOM 0 HD11 LEU A 37 9.971 -13.565 -26.988 1.00 0.93 H new ATOM 0 HD12 LEU A 37 11.107 -14.394 -25.897 1.00 0.93 H new ATOM 0 HD13 LEU A 37 11.041 -12.616 -25.929 1.00 0.93 H new ATOM 0 HD21 LEU A 37 10.827 -12.321 -28.974 1.00 1.01 H new ATOM 0 HD22 LEU A 37 11.895 -11.369 -27.916 1.00 1.01 H new ATOM 0 HD23 LEU A 37 12.576 -12.258 -29.300 1.00 1.01 H new ATOM 535 N ILE A 38 14.045 -16.434 -28.924 1.00 1.11 N ATOM 536 CA ILE A 38 14.137 -16.860 -30.351 1.00 1.23 C ATOM 537 C ILE A 38 12.746 -16.819 -30.982 1.00 1.25 C ATOM 538 O ILE A 38 11.760 -17.157 -30.358 1.00 1.19 O ATOM 539 CB ILE A 38 14.686 -18.299 -30.362 1.00 1.29 C ATOM 540 CG1 ILE A 38 15.413 -18.634 -29.051 1.00 1.22 C ATOM 541 CG2 ILE A 38 15.677 -18.446 -31.512 1.00 1.40 C ATOM 542 CD1 ILE A 38 16.450 -17.550 -28.747 1.00 1.18 C ATOM 0 H ILE A 38 13.861 -17.182 -28.255 1.00 1.11 H new ATOM 0 HA ILE A 38 14.791 -16.199 -30.921 1.00 1.23 H new ATOM 0 HB ILE A 38 13.843 -18.980 -30.479 1.00 1.29 H new ATOM 0 HG12 ILE A 38 14.696 -18.705 -28.233 1.00 1.22 H new ATOM 0 HG13 ILE A 38 15.901 -19.605 -29.132 1.00 1.22 H new ATOM 0 HG21 ILE A 38 16.070 -19.463 -31.526 1.00 1.40 H new ATOM 0 HG22 ILE A 38 15.172 -18.239 -32.456 1.00 1.40 H new ATOM 0 HG23 ILE A 38 16.498 -17.742 -31.377 1.00 1.40 H new ATOM 0 HD11 ILE A 38 16.965 -17.790 -27.816 1.00 1.18 H new ATOM 0 HD12 ILE A 38 17.174 -17.501 -29.560 1.00 1.18 H new ATOM 0 HD13 ILE A 38 15.951 -16.586 -28.648 1.00 1.18 H new ATOM 554 N GLY A 39 12.658 -16.400 -32.210 1.00 1.36 N ATOM 555 CA GLY A 39 11.329 -16.327 -32.875 1.00 1.40 C ATOM 556 C GLY A 39 11.013 -14.867 -33.194 1.00 1.42 C ATOM 557 O GLY A 39 11.852 -13.999 -33.059 1.00 1.66 O ATOM 0 H GLY A 39 13.448 -16.105 -32.783 1.00 1.36 H new ATOM 0 HA2 GLY A 39 11.332 -16.920 -33.789 1.00 1.40 H new ATOM 0 HA3 GLY A 39 10.560 -16.746 -32.226 1.00 1.40 H new ATOM 561 N ASN A 40 9.811 -14.584 -33.609 1.00 1.52 N ATOM 562 CA ASN A 40 9.453 -13.173 -33.926 1.00 1.59 C ATOM 563 C ASN A 40 9.444 -12.339 -32.644 1.00 1.43 C ATOM 564 O ASN A 40 9.071 -12.811 -31.589 1.00 1.74 O ATOM 565 CB ASN A 40 8.051 -13.245 -34.531 1.00 1.68 C ATOM 566 CG ASN A 40 8.124 -12.942 -36.028 1.00 2.21 C ATOM 567 OD1 ASN A 40 8.969 -12.187 -36.466 1.00 2.86 O ATOM 568 ND2 ASN A 40 7.269 -13.505 -36.838 1.00 2.69 N ATOM 0 H ASN A 40 9.063 -15.265 -33.742 1.00 1.52 H new ATOM 0 HA ASN A 40 10.164 -12.706 -34.608 1.00 1.59 H new ATOM 0 HB2 ASN A 40 7.625 -14.235 -34.370 1.00 1.68 H new ATOM 0 HB3 ASN A 40 7.393 -12.530 -34.036 1.00 1.68 H new ATOM 0 HD21 ASN A 40 7.310 -13.311 -37.839 1.00 2.69 H new ATOM 0 HD22 ASN A 40 6.560 -14.139 -36.470 1.00 2.69 H new ATOM 575 N SER A 41 9.846 -11.100 -32.725 1.00 1.52 N ATOM 576 CA SER A 41 9.854 -10.239 -31.508 1.00 1.39 C ATOM 577 C SER A 41 8.422 -9.849 -31.139 1.00 1.25 C ATOM 578 O SER A 41 8.094 -8.685 -31.022 1.00 1.32 O ATOM 579 CB SER A 41 10.663 -9.003 -31.900 1.00 1.63 C ATOM 580 OG SER A 41 10.050 -8.377 -33.019 1.00 2.18 O ATOM 0 H SER A 41 10.169 -10.647 -33.580 1.00 1.52 H new ATOM 0 HA SER A 41 10.283 -10.745 -30.643 1.00 1.39 H new ATOM 0 HB2 SER A 41 10.715 -8.307 -31.063 1.00 1.63 H new ATOM 0 HB3 SER A 41 11.687 -9.286 -32.143 1.00 1.63 H new ATOM 0 HG SER A 41 10.565 -7.583 -33.272 1.00 2.18 H new ATOM 586 N GLY A 42 7.567 -10.817 -30.962 1.00 1.12 N ATOM 587 CA GLY A 42 6.153 -10.509 -30.610 1.00 1.03 C ATOM 588 C GLY A 42 5.252 -11.648 -31.081 1.00 0.94 C ATOM 589 O GLY A 42 5.254 -12.015 -32.239 1.00 1.10 O ATOM 0 H GLY A 42 7.787 -11.810 -31.046 1.00 1.12 H new ATOM 0 HA2 GLY A 42 6.056 -10.376 -29.533 1.00 1.03 H new ATOM 0 HA3 GLY A 42 5.847 -9.572 -31.076 1.00 1.03 H new ATOM 593 N VAL A 43 4.462 -12.198 -30.200 1.00 0.75 N ATOM 594 CA VAL A 43 3.546 -13.296 -30.621 1.00 0.67 C ATOM 595 C VAL A 43 2.545 -12.713 -31.607 1.00 0.76 C ATOM 596 O VAL A 43 2.606 -11.544 -31.919 1.00 0.94 O ATOM 597 CB VAL A 43 2.818 -13.772 -29.358 1.00 0.50 C ATOM 598 CG1 VAL A 43 2.318 -15.202 -29.574 1.00 0.47 C ATOM 599 CG2 VAL A 43 3.761 -13.757 -28.155 1.00 0.50 C ATOM 0 H VAL A 43 4.411 -11.938 -29.215 1.00 0.75 H new ATOM 0 HA VAL A 43 4.077 -14.125 -31.090 1.00 0.67 H new ATOM 0 HB VAL A 43 1.982 -13.100 -29.164 1.00 0.50 H new ATOM 0 HG11 VAL A 43 1.800 -15.545 -28.679 1.00 0.47 H new ATOM 0 HG12 VAL A 43 1.632 -15.224 -30.421 1.00 0.47 H new ATOM 0 HG13 VAL A 43 3.165 -15.857 -29.776 1.00 0.47 H new ATOM 0 HG21 VAL A 43 3.226 -14.098 -27.269 1.00 0.50 H new ATOM 0 HG22 VAL A 43 4.605 -14.419 -28.346 1.00 0.50 H new ATOM 0 HG23 VAL A 43 4.125 -12.743 -27.991 1.00 0.50 H new ATOM 609 N LEU A 44 1.621 -13.491 -32.091 1.00 0.73 N ATOM 610 CA LEU A 44 0.623 -12.929 -33.043 1.00 0.82 C ATOM 611 C LEU A 44 -0.754 -13.539 -32.792 1.00 0.73 C ATOM 612 O LEU A 44 -1.072 -14.600 -33.293 1.00 0.78 O ATOM 613 CB LEU A 44 1.127 -13.300 -34.439 1.00 1.02 C ATOM 614 CG LEU A 44 0.030 -13.020 -35.473 1.00 1.17 C ATOM 615 CD1 LEU A 44 0.280 -11.670 -36.142 1.00 1.34 C ATOM 616 CD2 LEU A 44 0.036 -14.123 -36.534 1.00 1.54 C ATOM 0 H LEU A 44 1.512 -14.481 -31.873 1.00 0.73 H new ATOM 0 HA LEU A 44 0.520 -11.850 -32.928 1.00 0.82 H new ATOM 0 HB2 LEU A 44 2.022 -12.725 -34.678 1.00 1.02 H new ATOM 0 HB3 LEU A 44 1.408 -14.353 -34.467 1.00 1.02 H new ATOM 0 HG LEU A 44 -0.938 -12.999 -34.972 1.00 1.17 H new ATOM 0 HD11 LEU A 44 -0.503 -11.477 -36.876 1.00 1.34 H new ATOM 0 HD12 LEU A 44 0.272 -10.883 -35.388 1.00 1.34 H new ATOM 0 HD13 LEU A 44 1.249 -11.685 -36.641 1.00 1.34 H new ATOM 0 HD21 LEU A 44 -0.744 -13.925 -37.269 1.00 1.54 H new ATOM 0 HD22 LEU A 44 1.006 -14.145 -37.031 1.00 1.54 H new ATOM 0 HD23 LEU A 44 -0.150 -15.086 -36.059 1.00 1.54 H new ATOM 628 N CYS A 45 -1.588 -12.871 -32.046 1.00 0.68 N ATOM 629 CA CYS A 45 -2.950 -13.424 -31.807 1.00 0.66 C ATOM 630 C CYS A 45 -3.856 -13.044 -32.972 1.00 0.78 C ATOM 631 O CYS A 45 -4.260 -11.905 -33.114 1.00 0.90 O ATOM 632 CB CYS A 45 -3.450 -12.790 -30.514 1.00 0.69 C ATOM 633 SG CYS A 45 -4.305 -14.054 -29.537 1.00 1.01 S ATOM 0 H CYS A 45 -1.390 -11.977 -31.596 1.00 0.68 H new ATOM 0 HA CYS A 45 -2.942 -14.511 -31.727 1.00 0.66 H new ATOM 0 HB2 CYS A 45 -2.615 -12.377 -29.949 1.00 0.69 H new ATOM 0 HB3 CYS A 45 -4.125 -11.963 -30.735 1.00 0.69 H new ATOM 638 N SER A 46 -4.169 -13.985 -33.812 1.00 0.84 N ATOM 639 CA SER A 46 -5.043 -13.674 -34.977 1.00 0.98 C ATOM 640 C SER A 46 -6.191 -14.684 -35.067 1.00 1.03 C ATOM 641 O SER A 46 -6.020 -15.790 -35.539 1.00 1.16 O ATOM 642 CB SER A 46 -4.131 -13.787 -36.197 1.00 1.19 C ATOM 643 OG SER A 46 -4.283 -12.627 -37.003 1.00 1.82 O ATOM 0 H SER A 46 -3.860 -14.955 -33.745 1.00 0.84 H new ATOM 0 HA SER A 46 -5.498 -12.687 -34.898 1.00 0.98 H new ATOM 0 HB2 SER A 46 -3.093 -13.892 -35.881 1.00 1.19 H new ATOM 0 HB3 SER A 46 -4.381 -14.679 -36.772 1.00 1.19 H new ATOM 0 HG SER A 46 -3.698 -12.694 -37.787 1.00 1.82 H new ATOM 649 N GLY A 47 -7.359 -14.312 -34.620 1.00 1.09 N ATOM 650 CA GLY A 47 -8.514 -15.252 -34.684 1.00 1.22 C ATOM 651 C GLY A 47 -8.766 -15.847 -33.297 1.00 1.15 C ATOM 652 O GLY A 47 -9.371 -16.891 -33.159 1.00 1.24 O ATOM 0 H GLY A 47 -7.564 -13.399 -34.214 1.00 1.09 H new ATOM 0 HA2 GLY A 47 -9.404 -14.728 -35.034 1.00 1.22 H new ATOM 0 HA3 GLY A 47 -8.310 -16.047 -35.401 1.00 1.22 H new ATOM 656 N GLY A 48 -8.307 -15.189 -32.268 1.00 1.10 N ATOM 657 CA GLY A 48 -8.521 -15.716 -30.890 1.00 1.12 C ATOM 658 C GLY A 48 -7.598 -16.912 -30.650 1.00 1.00 C ATOM 659 O GLY A 48 -7.901 -17.797 -29.875 1.00 1.13 O ATOM 0 H GLY A 48 -7.793 -14.310 -32.322 1.00 1.10 H new ATOM 0 HA2 GLY A 48 -8.320 -14.936 -30.156 1.00 1.12 H new ATOM 0 HA3 GLY A 48 -9.561 -16.015 -30.761 1.00 1.12 H new ATOM 663 N GLU A 49 -6.472 -16.947 -31.309 1.00 0.87 N ATOM 664 CA GLU A 49 -5.532 -18.089 -31.116 1.00 0.85 C ATOM 665 C GLU A 49 -4.084 -17.619 -31.272 1.00 0.74 C ATOM 666 O GLU A 49 -3.538 -17.616 -32.357 1.00 0.82 O ATOM 667 CB GLU A 49 -5.887 -19.087 -32.217 1.00 0.99 C ATOM 668 CG GLU A 49 -7.251 -19.714 -31.920 1.00 1.23 C ATOM 669 CD GLU A 49 -7.464 -20.927 -32.827 1.00 1.71 C ATOM 670 OE1 GLU A 49 -6.947 -20.914 -33.932 1.00 2.28 O ATOM 671 OE2 GLU A 49 -8.141 -21.849 -32.401 1.00 2.25 O ATOM 0 H GLU A 49 -6.162 -16.236 -31.972 1.00 0.87 H new ATOM 0 HA GLU A 49 -5.619 -18.527 -30.122 1.00 0.85 H new ATOM 0 HB2 GLU A 49 -5.909 -18.585 -33.184 1.00 0.99 H new ATOM 0 HB3 GLU A 49 -5.124 -19.863 -32.278 1.00 0.99 H new ATOM 0 HG2 GLU A 49 -7.304 -20.015 -30.874 1.00 1.23 H new ATOM 0 HG3 GLU A 49 -8.042 -18.982 -32.082 1.00 1.23 H new ATOM 678 N TRP A 50 -3.457 -17.229 -30.198 1.00 0.70 N ATOM 679 CA TRP A 50 -2.043 -16.769 -30.294 1.00 0.62 C ATOM 680 C TRP A 50 -1.235 -17.751 -31.146 1.00 0.74 C ATOM 681 O TRP A 50 -1.383 -18.951 -31.029 1.00 0.89 O ATOM 682 CB TRP A 50 -1.528 -16.765 -28.853 1.00 0.62 C ATOM 683 CG TRP A 50 -2.058 -15.569 -28.128 1.00 0.57 C ATOM 684 CD1 TRP A 50 -3.057 -15.591 -27.214 1.00 0.71 C ATOM 685 CD2 TRP A 50 -1.636 -14.179 -28.238 1.00 0.50 C ATOM 686 NE1 TRP A 50 -3.272 -14.304 -26.757 1.00 0.74 N ATOM 687 CE2 TRP A 50 -2.422 -13.399 -27.358 1.00 0.63 C ATOM 688 CE3 TRP A 50 -0.658 -13.525 -29.009 1.00 0.47 C ATOM 689 CZ2 TRP A 50 -2.246 -12.022 -27.245 1.00 0.71 C ATOM 690 CZ3 TRP A 50 -0.476 -12.137 -28.898 1.00 0.57 C ATOM 691 CH2 TRP A 50 -1.269 -11.387 -28.018 1.00 0.69 C ATOM 0 H TRP A 50 -3.860 -17.209 -29.261 1.00 0.70 H new ATOM 0 HA TRP A 50 -1.955 -15.787 -30.760 1.00 0.62 H new ATOM 0 HB2 TRP A 50 -1.839 -17.677 -28.344 1.00 0.62 H new ATOM 0 HB3 TRP A 50 -0.438 -16.752 -28.847 1.00 0.62 H new ATOM 0 HD1 TRP A 50 -3.597 -16.470 -26.894 1.00 0.71 H new ATOM 0 HE1 TRP A 50 -3.974 -14.054 -26.060 1.00 0.74 H new ATOM 0 HE3 TRP A 50 -0.043 -14.094 -29.691 1.00 0.47 H new ATOM 0 HZ2 TRP A 50 -2.859 -11.449 -26.565 1.00 0.71 H new ATOM 0 HZ3 TRP A 50 0.279 -11.645 -29.494 1.00 0.57 H new ATOM 0 HH2 TRP A 50 -1.125 -10.320 -27.937 1.00 0.69 H new ATOM 702 N SER A 51 -0.387 -17.255 -32.004 1.00 0.76 N ATOM 703 CA SER A 51 0.418 -18.174 -32.859 1.00 0.95 C ATOM 704 C SER A 51 1.843 -17.641 -33.050 1.00 0.97 C ATOM 705 O SER A 51 2.110 -16.464 -32.888 1.00 0.90 O ATOM 706 CB SER A 51 -0.318 -18.213 -34.197 1.00 1.09 C ATOM 707 OG SER A 51 0.567 -18.681 -35.206 1.00 1.77 O ATOM 0 H SER A 51 -0.217 -16.260 -32.150 1.00 0.76 H new ATOM 0 HA SER A 51 0.515 -19.162 -32.409 1.00 0.95 H new ATOM 0 HB2 SER A 51 -1.188 -18.867 -34.128 1.00 1.09 H new ATOM 0 HB3 SER A 51 -0.686 -17.219 -34.452 1.00 1.09 H new ATOM 0 HG SER A 51 0.097 -18.709 -36.066 1.00 1.77 H new ATOM 713 N ASP A 52 2.753 -18.510 -33.402 1.00 1.12 N ATOM 714 CA ASP A 52 4.169 -18.092 -33.623 1.00 1.18 C ATOM 715 C ASP A 52 4.784 -17.534 -32.339 1.00 1.03 C ATOM 716 O ASP A 52 5.102 -16.364 -32.253 1.00 0.99 O ATOM 717 CB ASP A 52 4.105 -17.014 -34.706 1.00 1.26 C ATOM 718 CG ASP A 52 5.219 -17.249 -35.727 1.00 1.71 C ATOM 719 OD1 ASP A 52 5.124 -18.215 -36.467 1.00 2.24 O ATOM 720 OD2 ASP A 52 6.149 -16.460 -35.751 1.00 2.28 O ATOM 0 H ASP A 52 2.573 -19.503 -33.548 1.00 1.12 H new ATOM 0 HA ASP A 52 4.795 -18.933 -33.921 1.00 1.18 H new ATOM 0 HB2 ASP A 52 3.134 -17.037 -35.200 1.00 1.26 H new ATOM 0 HB3 ASP A 52 4.211 -16.026 -34.257 1.00 1.26 H new ATOM 725 N PRO A 53 4.940 -18.408 -31.389 1.00 1.00 N ATOM 726 CA PRO A 53 5.531 -18.044 -30.089 1.00 0.88 C ATOM 727 C PRO A 53 7.050 -18.249 -30.121 1.00 0.97 C ATOM 728 O PRO A 53 7.523 -19.299 -30.507 1.00 1.11 O ATOM 729 CB PRO A 53 4.882 -19.035 -29.133 1.00 0.87 C ATOM 730 CG PRO A 53 4.497 -20.223 -29.977 1.00 1.03 C ATOM 731 CD PRO A 53 4.569 -19.815 -31.433 1.00 1.10 C ATOM 0 HA PRO A 53 5.366 -17.003 -29.812 1.00 0.88 H new ATOM 0 HB2 PRO A 53 5.573 -19.325 -28.341 1.00 0.87 H new ATOM 0 HB3 PRO A 53 4.008 -18.598 -28.650 1.00 0.87 H new ATOM 0 HG2 PRO A 53 5.168 -21.060 -29.784 1.00 1.03 H new ATOM 0 HG3 PRO A 53 3.490 -20.557 -29.726 1.00 1.03 H new ATOM 0 HD2 PRO A 53 5.307 -20.405 -31.976 1.00 1.10 H new ATOM 0 HD3 PRO A 53 3.613 -19.960 -31.935 1.00 1.10 H new ATOM 739 N PRO A 54 7.763 -17.238 -29.708 1.00 0.92 N ATOM 740 CA PRO A 54 9.243 -17.314 -29.684 1.00 1.02 C ATOM 741 C PRO A 54 9.708 -18.142 -28.484 1.00 0.99 C ATOM 742 O PRO A 54 8.913 -18.583 -27.677 1.00 0.95 O ATOM 743 CB PRO A 54 9.671 -15.857 -29.550 1.00 1.01 C ATOM 744 CG PRO A 54 8.513 -15.162 -28.902 1.00 0.88 C ATOM 745 CD PRO A 54 7.265 -15.944 -29.232 1.00 0.82 C ATOM 0 HA PRO A 54 9.669 -17.794 -30.565 1.00 1.02 H new ATOM 0 HB2 PRO A 54 10.573 -15.766 -28.945 1.00 1.01 H new ATOM 0 HB3 PRO A 54 9.896 -15.422 -30.524 1.00 1.01 H new ATOM 0 HG2 PRO A 54 8.655 -15.107 -27.823 1.00 0.88 H new ATOM 0 HG3 PRO A 54 8.430 -14.138 -29.265 1.00 0.88 H new ATOM 0 HD2 PRO A 54 6.626 -16.061 -28.357 1.00 0.82 H new ATOM 0 HD3 PRO A 54 6.671 -15.441 -29.995 1.00 0.82 H new ATOM 753 N THR A 55 10.987 -18.374 -28.367 1.00 1.05 N ATOM 754 CA THR A 55 11.488 -19.193 -27.223 1.00 1.04 C ATOM 755 C THR A 55 12.458 -18.403 -26.350 1.00 1.00 C ATOM 756 O THR A 55 13.231 -17.597 -26.827 1.00 1.07 O ATOM 757 CB THR A 55 12.235 -20.360 -27.865 1.00 1.14 C ATOM 758 OG1 THR A 55 13.091 -19.866 -28.877 1.00 1.19 O ATOM 759 CG2 THR A 55 11.239 -21.337 -28.478 1.00 1.22 C ATOM 0 H THR A 55 11.704 -18.035 -29.009 1.00 1.05 H new ATOM 0 HA THR A 55 10.664 -19.508 -26.582 1.00 1.04 H new ATOM 0 HB THR A 55 12.821 -20.875 -27.104 1.00 1.14 H new ATOM 0 HG1 THR A 55 13.451 -20.616 -29.395 1.00 1.19 H new ATOM 0 HG21 THR A 55 11.778 -22.167 -28.934 1.00 1.22 H new ATOM 0 HG22 THR A 55 10.577 -21.718 -27.700 1.00 1.22 H new ATOM 0 HG23 THR A 55 10.649 -20.826 -29.238 1.00 1.22 H new ATOM 767 N CYS A 56 12.447 -18.667 -25.075 1.00 0.98 N ATOM 768 CA CYS A 56 13.393 -17.976 -24.163 1.00 0.96 C ATOM 769 C CYS A 56 14.414 -18.988 -23.679 1.00 0.98 C ATOM 770 O CYS A 56 14.300 -19.555 -22.610 1.00 0.99 O ATOM 771 CB CYS A 56 12.541 -17.445 -23.011 1.00 0.94 C ATOM 772 SG CYS A 56 11.379 -16.209 -23.641 1.00 1.19 S ATOM 0 H CYS A 56 11.821 -19.334 -24.625 1.00 0.98 H new ATOM 0 HA CYS A 56 13.935 -17.160 -24.640 1.00 0.96 H new ATOM 0 HB2 CYS A 56 11.998 -18.264 -22.539 1.00 0.94 H new ATOM 0 HB3 CYS A 56 13.179 -17.003 -22.246 1.00 0.94 H new ATOM 777 N GLN A 57 15.396 -19.236 -24.489 1.00 1.01 N ATOM 778 CA GLN A 57 16.428 -20.234 -24.128 1.00 1.05 C ATOM 779 C GLN A 57 17.784 -19.555 -23.944 1.00 1.06 C ATOM 780 O GLN A 57 17.870 -18.397 -23.595 1.00 1.21 O ATOM 781 CB GLN A 57 16.481 -21.197 -25.317 1.00 1.09 C ATOM 782 CG GLN A 57 15.100 -21.338 -25.974 1.00 1.20 C ATOM 783 CD GLN A 57 14.145 -22.041 -25.007 1.00 1.70 C ATOM 784 OE1 GLN A 57 13.377 -21.399 -24.320 1.00 2.31 O ATOM 785 NE2 GLN A 57 14.160 -23.344 -24.926 1.00 2.18 N ATOM 0 H GLN A 57 15.529 -18.785 -25.394 1.00 1.01 H new ATOM 0 HA GLN A 57 16.194 -20.743 -23.193 1.00 1.05 H new ATOM 0 HB2 GLN A 57 17.201 -20.835 -26.051 1.00 1.09 H new ATOM 0 HB3 GLN A 57 16.830 -22.174 -24.983 1.00 1.09 H new ATOM 0 HG2 GLN A 57 14.709 -20.355 -26.238 1.00 1.20 H new ATOM 0 HG3 GLN A 57 15.182 -21.908 -26.900 1.00 1.20 H new ATOM 0 HE21 GLN A 57 14.805 -23.883 -25.503 1.00 2.18 H new ATOM 0 HE22 GLN A 57 13.527 -23.822 -24.286 1.00 2.18 H new ATOM 794 N ILE A 58 18.844 -20.271 -24.188 1.00 0.98 N ATOM 795 CA ILE A 58 20.201 -19.672 -24.042 1.00 0.98 C ATOM 796 C ILE A 58 20.895 -19.684 -25.405 1.00 1.03 C ATOM 797 O ILE A 58 20.922 -20.690 -26.085 1.00 1.21 O ATOM 798 CB ILE A 58 20.969 -20.550 -23.038 1.00 1.02 C ATOM 799 CG1 ILE A 58 20.014 -21.466 -22.257 1.00 1.07 C ATOM 800 CG2 ILE A 58 21.705 -19.648 -22.049 1.00 1.00 C ATOM 801 CD1 ILE A 58 19.790 -22.757 -23.045 1.00 1.45 C ATOM 0 H ILE A 58 18.831 -21.247 -24.483 1.00 0.98 H new ATOM 0 HA ILE A 58 20.157 -18.642 -23.688 1.00 0.98 H new ATOM 0 HB ILE A 58 21.672 -21.172 -23.592 1.00 1.02 H new ATOM 0 HG12 ILE A 58 20.432 -21.694 -21.276 1.00 1.07 H new ATOM 0 HG13 ILE A 58 19.063 -20.960 -22.089 1.00 1.07 H new ATOM 0 HG21 ILE A 58 22.252 -20.262 -21.334 1.00 1.00 H new ATOM 0 HG22 ILE A 58 22.405 -19.010 -22.589 1.00 1.00 H new ATOM 0 HG23 ILE A 58 20.984 -19.027 -21.517 1.00 1.00 H new ATOM 0 HD11 ILE A 58 19.113 -23.408 -22.492 1.00 1.45 H new ATOM 0 HD12 ILE A 58 19.354 -22.520 -24.015 1.00 1.45 H new ATOM 0 HD13 ILE A 58 20.743 -23.265 -23.190 1.00 1.45 H new ATOM 813 N VAL A 59 21.436 -18.575 -25.823 1.00 0.99 N ATOM 814 CA VAL A 59 22.099 -18.539 -27.158 1.00 1.04 C ATOM 815 C VAL A 59 23.555 -18.158 -27.039 1.00 0.97 C ATOM 816 O VAL A 59 24.047 -17.318 -27.764 1.00 1.03 O ATOM 817 CB VAL A 59 21.365 -17.461 -27.928 1.00 1.10 C ATOM 818 CG1 VAL A 59 19.878 -17.814 -28.006 1.00 1.17 C ATOM 819 CG2 VAL A 59 21.560 -16.133 -27.197 1.00 1.06 C ATOM 0 H VAL A 59 21.449 -17.697 -25.304 1.00 0.99 H new ATOM 0 HA VAL A 59 22.063 -19.515 -27.642 1.00 1.04 H new ATOM 0 HB VAL A 59 21.755 -17.381 -28.943 1.00 1.10 H new ATOM 0 HG11 VAL A 59 19.349 -17.039 -28.560 1.00 1.17 H new ATOM 0 HG12 VAL A 59 19.757 -18.770 -28.515 1.00 1.17 H new ATOM 0 HG13 VAL A 59 19.467 -17.885 -26.999 1.00 1.17 H new ATOM 0 HG21 VAL A 59 21.039 -15.341 -27.735 1.00 1.06 H new ATOM 0 HG22 VAL A 59 21.157 -16.211 -26.187 1.00 1.06 H new ATOM 0 HG23 VAL A 59 22.623 -15.898 -27.147 1.00 1.06 H new ATOM 829 N LYS A 60 24.256 -18.773 -26.160 1.00 0.92 N ATOM 830 CA LYS A 60 25.691 -18.434 -26.033 1.00 0.85 C ATOM 831 C LYS A 60 26.396 -18.797 -27.329 1.00 0.72 C ATOM 832 O LYS A 60 25.766 -19.057 -28.332 1.00 1.02 O ATOM 833 CB LYS A 60 26.213 -19.267 -24.864 1.00 0.91 C ATOM 834 CG LYS A 60 26.554 -18.344 -23.692 1.00 1.14 C ATOM 835 CD LYS A 60 25.279 -18.020 -22.912 1.00 1.47 C ATOM 836 CE LYS A 60 25.111 -16.502 -22.815 1.00 1.82 C ATOM 837 NZ LYS A 60 23.774 -16.304 -22.189 1.00 2.48 N ATOM 0 H LYS A 60 23.911 -19.492 -25.524 1.00 0.92 H new ATOM 0 HA LYS A 60 25.863 -17.373 -25.851 1.00 0.85 H new ATOM 0 HB2 LYS A 60 25.463 -19.997 -24.560 1.00 0.91 H new ATOM 0 HB3 LYS A 60 27.097 -19.827 -25.169 1.00 0.91 H new ATOM 0 HG2 LYS A 60 27.282 -18.823 -23.037 1.00 1.14 H new ATOM 0 HG3 LYS A 60 27.012 -17.426 -24.059 1.00 1.14 H new ATOM 0 HD2 LYS A 60 24.415 -18.461 -23.408 1.00 1.47 H new ATOM 0 HD3 LYS A 60 25.330 -18.455 -21.914 1.00 1.47 H new ATOM 0 HE2 LYS A 60 25.900 -16.055 -22.211 1.00 1.82 H new ATOM 0 HE3 LYS A 60 25.160 -16.035 -23.799 1.00 1.82 H new ATOM 0 HZ1 LYS A 60 23.585 -15.286 -22.088 1.00 2.48 H new ATOM 0 HZ2 LYS A 60 23.042 -16.734 -22.790 1.00 2.48 H new ATOM 0 HZ3 LYS A 60 23.760 -16.753 -21.251 1.00 2.48 H new ATOM 851 N CYS A 61 27.690 -18.794 -27.332 1.00 0.89 N ATOM 852 CA CYS A 61 28.409 -19.124 -28.596 1.00 0.76 C ATOM 853 C CYS A 61 29.734 -19.835 -28.347 1.00 0.69 C ATOM 854 O CYS A 61 30.276 -19.806 -27.260 1.00 0.81 O ATOM 855 CB CYS A 61 28.682 -17.779 -29.249 1.00 0.89 C ATOM 856 SG CYS A 61 28.013 -17.785 -30.923 1.00 1.17 S ATOM 0 H CYS A 61 28.282 -18.581 -26.529 1.00 0.89 H new ATOM 0 HA CYS A 61 27.811 -19.799 -29.209 1.00 0.76 H new ATOM 0 HB2 CYS A 61 28.226 -16.979 -28.665 1.00 0.89 H new ATOM 0 HB3 CYS A 61 29.754 -17.584 -29.274 1.00 0.89 H new ATOM 861 N PRO A 62 30.219 -20.422 -29.405 1.00 0.58 N ATOM 862 CA PRO A 62 31.507 -21.128 -29.379 1.00 0.57 C ATOM 863 C PRO A 62 32.617 -20.141 -29.725 1.00 0.56 C ATOM 864 O PRO A 62 33.506 -19.874 -28.940 1.00 0.83 O ATOM 865 CB PRO A 62 31.359 -22.161 -30.492 1.00 0.58 C ATOM 866 CG PRO A 62 30.333 -21.605 -31.436 1.00 0.56 C ATOM 867 CD PRO A 62 29.602 -20.486 -30.731 1.00 0.59 C ATOM 0 HA PRO A 62 31.750 -21.574 -28.415 1.00 0.57 H new ATOM 0 HB2 PRO A 62 32.309 -22.326 -31.001 1.00 0.58 H new ATOM 0 HB3 PRO A 62 31.040 -23.123 -30.092 1.00 0.58 H new ATOM 0 HG2 PRO A 62 30.811 -21.235 -32.343 1.00 0.56 H new ATOM 0 HG3 PRO A 62 29.634 -22.384 -31.740 1.00 0.56 H new ATOM 0 HD2 PRO A 62 29.711 -19.542 -31.265 1.00 0.59 H new ATOM 0 HD3 PRO A 62 28.534 -20.692 -30.662 1.00 0.59 H new ATOM 875 N HIS A 63 32.552 -19.602 -30.913 1.00 0.45 N ATOM 876 CA HIS A 63 33.569 -18.624 -31.389 1.00 0.45 C ATOM 877 C HIS A 63 33.523 -18.571 -32.911 1.00 0.43 C ATOM 878 O HIS A 63 33.635 -19.588 -33.566 1.00 0.44 O ATOM 879 CB HIS A 63 34.915 -19.176 -30.953 1.00 0.53 C ATOM 880 CG HIS A 63 35.516 -18.289 -29.901 1.00 0.62 C ATOM 881 ND1 HIS A 63 36.487 -18.742 -29.023 1.00 0.92 N ATOM 882 CD2 HIS A 63 35.312 -16.969 -29.587 1.00 0.90 C ATOM 883 CE1 HIS A 63 36.831 -17.710 -28.232 1.00 0.93 C ATOM 884 NE2 HIS A 63 36.144 -16.604 -28.532 1.00 0.90 N ATOM 0 H HIS A 63 31.816 -19.806 -31.590 1.00 0.45 H new ATOM 0 HA HIS A 63 33.393 -17.624 -30.991 1.00 0.45 H new ATOM 0 HB2 HIS A 63 34.794 -20.187 -30.563 1.00 0.53 H new ATOM 0 HB3 HIS A 63 35.585 -19.243 -31.810 1.00 0.53 H new ATOM 0 HD1 HIS A 63 36.871 -19.686 -28.984 1.00 0.92 H new ATOM 0 HD2 HIS A 63 34.612 -16.313 -30.083 1.00 0.90 H new ATOM 0 HE1 HIS A 63 37.573 -17.768 -27.449 1.00 0.93 H new ATOM 892 N PRO A 64 33.357 -17.395 -33.430 1.00 0.45 N ATOM 893 CA PRO A 64 33.294 -17.238 -34.892 1.00 0.48 C ATOM 894 C PRO A 64 34.703 -17.343 -35.471 1.00 0.54 C ATOM 895 O PRO A 64 35.270 -16.379 -35.941 1.00 0.65 O ATOM 896 CB PRO A 64 32.721 -15.842 -35.078 1.00 0.52 C ATOM 897 CG PRO A 64 33.080 -15.101 -33.827 1.00 0.55 C ATOM 898 CD PRO A 64 33.214 -16.120 -32.723 1.00 0.51 C ATOM 0 HA PRO A 64 32.693 -17.996 -35.394 1.00 0.48 H new ATOM 0 HB2 PRO A 64 33.143 -15.357 -35.958 1.00 0.52 H new ATOM 0 HB3 PRO A 64 31.641 -15.875 -35.220 1.00 0.52 H new ATOM 0 HG2 PRO A 64 34.013 -14.553 -33.959 1.00 0.55 H new ATOM 0 HG3 PRO A 64 32.312 -14.367 -33.581 1.00 0.55 H new ATOM 0 HD2 PRO A 64 34.079 -15.914 -32.093 1.00 0.51 H new ATOM 0 HD3 PRO A 64 32.339 -16.121 -32.073 1.00 0.51 H new ATOM 906 N THR A 65 35.275 -18.512 -35.424 1.00 0.57 N ATOM 907 CA THR A 65 36.652 -18.695 -35.959 1.00 0.68 C ATOM 908 C THR A 65 36.595 -19.019 -37.449 1.00 0.76 C ATOM 909 O THR A 65 35.539 -19.050 -38.046 1.00 1.43 O ATOM 910 CB THR A 65 37.223 -19.878 -35.178 1.00 0.74 C ATOM 911 OG1 THR A 65 36.157 -20.632 -34.618 1.00 1.10 O ATOM 912 CG2 THR A 65 38.126 -19.360 -34.062 1.00 0.99 C ATOM 0 H THR A 65 34.846 -19.353 -35.036 1.00 0.57 H new ATOM 0 HA THR A 65 37.263 -17.799 -35.849 1.00 0.68 H new ATOM 0 HB THR A 65 37.803 -20.513 -35.848 1.00 0.74 H new ATOM 0 HG1 THR A 65 36.521 -21.392 -34.118 1.00 1.10 H new ATOM 0 HG21 THR A 65 38.534 -20.202 -33.504 1.00 0.99 H new ATOM 0 HG22 THR A 65 38.942 -18.781 -34.494 1.00 0.99 H new ATOM 0 HG23 THR A 65 37.547 -18.726 -33.390 1.00 0.99 H new ATOM 920 N ILE A 66 37.719 -19.264 -38.058 1.00 0.70 N ATOM 921 CA ILE A 66 37.708 -19.590 -39.511 1.00 0.72 C ATOM 922 C ILE A 66 39.135 -19.828 -40.016 1.00 0.85 C ATOM 923 O ILE A 66 40.104 -19.478 -39.372 1.00 0.92 O ATOM 924 CB ILE A 66 37.041 -18.384 -40.215 1.00 0.63 C ATOM 925 CG1 ILE A 66 37.649 -18.169 -41.605 1.00 0.68 C ATOM 926 CG2 ILE A 66 37.208 -17.104 -39.394 1.00 0.68 C ATOM 927 CD1 ILE A 66 36.900 -17.038 -42.308 1.00 0.60 C ATOM 0 H ILE A 66 38.639 -19.253 -37.618 1.00 0.70 H new ATOM 0 HA ILE A 66 37.156 -20.507 -39.719 1.00 0.72 H new ATOM 0 HB ILE A 66 35.979 -18.608 -40.311 1.00 0.63 H new ATOM 0 HG12 ILE A 66 38.707 -17.923 -41.519 1.00 0.68 H new ATOM 0 HG13 ILE A 66 37.582 -19.086 -42.191 1.00 0.68 H new ATOM 0 HG21 ILE A 66 36.730 -16.274 -39.913 1.00 0.68 H new ATOM 0 HG22 ILE A 66 36.745 -17.236 -38.416 1.00 0.68 H new ATOM 0 HG23 ILE A 66 38.269 -16.889 -39.267 1.00 0.68 H new ATOM 0 HD11 ILE A 66 37.327 -16.879 -43.298 1.00 0.60 H new ATOM 0 HD12 ILE A 66 35.847 -17.304 -42.405 1.00 0.60 H new ATOM 0 HD13 ILE A 66 36.990 -16.123 -41.723 1.00 0.60 H new ATOM 939 N SER A 67 39.263 -20.432 -41.166 1.00 0.91 N ATOM 940 CA SER A 67 40.617 -20.710 -41.723 1.00 1.06 C ATOM 941 C SER A 67 41.297 -19.409 -42.151 1.00 1.08 C ATOM 942 O SER A 67 40.964 -18.830 -43.165 1.00 1.05 O ATOM 943 CB SER A 67 40.368 -21.614 -42.932 1.00 1.11 C ATOM 944 OG SER A 67 41.047 -21.088 -44.065 1.00 1.58 O ATOM 0 H SER A 67 38.485 -20.746 -41.746 1.00 0.91 H new ATOM 0 HA SER A 67 41.275 -21.179 -40.992 1.00 1.06 H new ATOM 0 HB2 SER A 67 40.718 -22.625 -42.722 1.00 1.11 H new ATOM 0 HB3 SER A 67 39.299 -21.682 -43.135 1.00 1.11 H new ATOM 0 HG SER A 67 40.770 -20.159 -44.211 1.00 1.58 H new ATOM 950 N ASN A 68 42.255 -18.954 -41.389 1.00 1.17 N ATOM 951 CA ASN A 68 42.970 -17.696 -41.751 1.00 1.23 C ATOM 952 C ASN A 68 41.991 -16.656 -42.306 1.00 1.13 C ATOM 953 O ASN A 68 42.272 -15.987 -43.278 1.00 1.32 O ATOM 954 CB ASN A 68 43.973 -18.111 -42.828 1.00 1.36 C ATOM 955 CG ASN A 68 45.254 -18.623 -42.166 1.00 1.54 C ATOM 956 OD1 ASN A 68 45.226 -19.100 -41.049 1.00 1.88 O ATOM 957 ND2 ASN A 68 46.384 -18.543 -42.814 1.00 1.93 N ATOM 0 H ASN A 68 42.574 -19.400 -40.529 1.00 1.17 H new ATOM 0 HA ASN A 68 43.454 -17.239 -40.888 1.00 1.23 H new ATOM 0 HB2 ASN A 68 43.543 -18.888 -43.460 1.00 1.36 H new ATOM 0 HB3 ASN A 68 44.199 -17.263 -43.474 1.00 1.36 H new ATOM 0 HD21 ASN A 68 47.244 -18.881 -42.383 1.00 1.93 H new ATOM 0 HD22 ASN A 68 46.407 -18.142 -43.752 1.00 1.93 H new ATOM 964 N GLY A 69 40.845 -16.512 -41.700 1.00 0.97 N ATOM 965 CA GLY A 69 39.863 -15.511 -42.206 1.00 0.89 C ATOM 966 C GLY A 69 39.017 -14.989 -41.045 1.00 0.89 C ATOM 967 O GLY A 69 37.866 -14.641 -41.211 1.00 1.36 O ATOM 0 H GLY A 69 40.547 -17.041 -40.880 1.00 0.97 H new ATOM 0 HA2 GLY A 69 40.386 -14.685 -42.688 1.00 0.89 H new ATOM 0 HA3 GLY A 69 39.221 -15.966 -42.961 1.00 0.89 H new ATOM 971 N TYR A 70 39.584 -14.952 -39.869 1.00 0.86 N ATOM 972 CA TYR A 70 38.838 -14.469 -38.667 1.00 0.81 C ATOM 973 C TYR A 70 38.050 -13.204 -38.942 1.00 0.78 C ATOM 974 O TYR A 70 37.964 -12.715 -40.044 1.00 0.86 O ATOM 975 CB TYR A 70 39.899 -14.165 -37.612 1.00 0.93 C ATOM 976 CG TYR A 70 40.660 -12.907 -37.989 1.00 1.06 C ATOM 977 CD1 TYR A 70 41.444 -12.870 -39.153 1.00 1.84 C ATOM 978 CD2 TYR A 70 40.582 -11.773 -37.169 1.00 1.47 C ATOM 979 CE1 TYR A 70 42.143 -11.705 -39.491 1.00 2.01 C ATOM 980 CE2 TYR A 70 41.282 -10.609 -37.509 1.00 1.59 C ATOM 981 CZ TYR A 70 42.063 -10.576 -38.669 1.00 1.48 C ATOM 982 OH TYR A 70 42.752 -9.428 -39.004 1.00 1.73 O ATOM 0 H TYR A 70 40.545 -15.240 -39.686 1.00 0.86 H new ATOM 0 HA TYR A 70 38.120 -15.226 -38.353 1.00 0.81 H new ATOM 0 HB2 TYR A 70 39.428 -14.037 -36.637 1.00 0.93 H new ATOM 0 HB3 TYR A 70 40.588 -15.005 -37.525 1.00 0.93 H new ATOM 0 HD1 TYR A 70 41.508 -13.741 -39.788 1.00 1.84 H new ATOM 0 HD2 TYR A 70 39.980 -11.797 -36.272 1.00 1.47 H new ATOM 0 HE1 TYR A 70 42.745 -11.678 -40.387 1.00 2.01 H new ATOM 0 HE2 TYR A 70 41.219 -9.737 -36.876 1.00 1.59 H new ATOM 0 HH TYR A 70 42.587 -8.738 -38.328 1.00 1.73 H new ATOM 992 N LEU A 71 37.492 -12.669 -37.906 1.00 0.82 N ATOM 993 CA LEU A 71 36.702 -11.414 -38.042 1.00 0.86 C ATOM 994 C LEU A 71 37.422 -10.254 -37.349 1.00 1.05 C ATOM 995 O LEU A 71 38.323 -10.452 -36.559 1.00 1.45 O ATOM 996 CB LEU A 71 35.317 -11.702 -37.416 1.00 0.82 C ATOM 997 CG LEU A 71 35.411 -12.339 -36.016 1.00 0.87 C ATOM 998 CD1 LEU A 71 35.622 -13.843 -36.152 1.00 1.44 C ATOM 999 CD2 LEU A 71 36.555 -11.733 -35.197 1.00 1.62 C ATOM 0 H LEU A 71 37.546 -13.045 -36.959 1.00 0.82 H new ATOM 0 HA LEU A 71 36.586 -11.116 -39.084 1.00 0.86 H new ATOM 0 HB2 LEU A 71 34.754 -10.771 -37.349 1.00 0.82 H new ATOM 0 HB3 LEU A 71 34.757 -12.366 -38.075 1.00 0.82 H new ATOM 0 HG LEU A 71 34.477 -12.138 -35.491 1.00 0.87 H new ATOM 0 HD11 LEU A 71 35.688 -14.292 -35.161 1.00 1.44 H new ATOM 0 HD12 LEU A 71 34.783 -14.281 -36.693 1.00 1.44 H new ATOM 0 HD13 LEU A 71 36.546 -14.033 -36.699 1.00 1.44 H new ATOM 0 HD21 LEU A 71 36.591 -12.207 -34.216 1.00 1.62 H new ATOM 0 HD22 LEU A 71 37.500 -11.898 -35.714 1.00 1.62 H new ATOM 0 HD23 LEU A 71 36.389 -10.662 -35.077 1.00 1.62 H new ATOM 1011 N SER A 72 37.046 -9.045 -37.648 1.00 1.18 N ATOM 1012 CA SER A 72 37.726 -7.884 -37.010 1.00 1.34 C ATOM 1013 C SER A 72 36.727 -6.745 -36.784 1.00 1.38 C ATOM 1014 O SER A 72 37.094 -5.589 -36.723 1.00 1.55 O ATOM 1015 CB SER A 72 38.800 -7.462 -38.013 1.00 1.54 C ATOM 1016 OG SER A 72 39.701 -6.561 -37.385 1.00 2.12 O ATOM 0 H SER A 72 36.301 -8.809 -38.303 1.00 1.18 H new ATOM 0 HA SER A 72 38.148 -8.133 -36.037 1.00 1.34 H new ATOM 0 HB2 SER A 72 39.338 -8.337 -38.377 1.00 1.54 H new ATOM 0 HB3 SER A 72 38.339 -6.988 -38.879 1.00 1.54 H new ATOM 0 HG SER A 72 39.196 -5.907 -36.858 1.00 2.12 H new ATOM 1022 N SER A 73 35.465 -7.062 -36.672 1.00 1.29 N ATOM 1023 CA SER A 73 34.444 -5.995 -36.464 1.00 1.40 C ATOM 1024 C SER A 73 33.902 -6.028 -35.032 1.00 1.42 C ATOM 1025 O SER A 73 34.289 -5.238 -34.194 1.00 1.75 O ATOM 1026 CB SER A 73 33.334 -6.317 -37.463 1.00 1.45 C ATOM 1027 OG SER A 73 32.217 -5.475 -37.214 1.00 2.04 O ATOM 0 H SER A 73 35.097 -8.012 -36.715 1.00 1.29 H new ATOM 0 HA SER A 73 34.860 -4.999 -36.613 1.00 1.40 H new ATOM 0 HB2 SER A 73 33.693 -6.172 -38.482 1.00 1.45 H new ATOM 0 HB3 SER A 73 33.042 -7.363 -37.374 1.00 1.45 H new ATOM 0 HG SER A 73 31.581 -5.547 -37.956 1.00 2.04 H new ATOM 1033 N GLY A 74 33.004 -6.929 -34.748 1.00 1.36 N ATOM 1034 CA GLY A 74 32.433 -7.004 -33.374 1.00 1.45 C ATOM 1035 C GLY A 74 32.609 -8.414 -32.814 1.00 1.33 C ATOM 1036 O GLY A 74 31.679 -9.194 -32.755 1.00 1.86 O ATOM 0 H GLY A 74 32.640 -7.617 -35.408 1.00 1.36 H new ATOM 0 HA2 GLY A 74 32.928 -6.281 -32.725 1.00 1.45 H new ATOM 0 HA3 GLY A 74 31.375 -6.741 -33.395 1.00 1.45 H new ATOM 1040 N PHE A 75 33.797 -8.743 -32.398 1.00 1.13 N ATOM 1041 CA PHE A 75 34.044 -10.101 -31.833 1.00 0.94 C ATOM 1042 C PHE A 75 34.130 -10.021 -30.305 1.00 0.94 C ATOM 1043 O PHE A 75 34.310 -8.961 -29.740 1.00 1.21 O ATOM 1044 CB PHE A 75 35.381 -10.536 -32.439 1.00 0.95 C ATOM 1045 CG PHE A 75 35.992 -11.645 -31.611 1.00 0.91 C ATOM 1046 CD1 PHE A 75 36.586 -11.351 -30.377 1.00 1.58 C ATOM 1047 CD2 PHE A 75 35.966 -12.964 -32.078 1.00 1.41 C ATOM 1048 CE1 PHE A 75 37.153 -12.376 -29.611 1.00 1.62 C ATOM 1049 CE2 PHE A 75 36.533 -13.990 -31.311 1.00 1.38 C ATOM 1050 CZ PHE A 75 37.126 -13.695 -30.077 1.00 0.94 C ATOM 0 H PHE A 75 34.612 -8.130 -32.424 1.00 1.13 H new ATOM 0 HA PHE A 75 33.248 -10.808 -32.065 1.00 0.94 H new ATOM 0 HB2 PHE A 75 35.231 -10.877 -33.463 1.00 0.95 H new ATOM 0 HB3 PHE A 75 36.063 -9.687 -32.483 1.00 0.95 H new ATOM 0 HD1 PHE A 75 36.606 -10.333 -30.017 1.00 1.58 H new ATOM 0 HD2 PHE A 75 35.509 -13.191 -33.030 1.00 1.41 H new ATOM 0 HE1 PHE A 75 37.612 -12.149 -28.660 1.00 1.62 H new ATOM 0 HE2 PHE A 75 36.513 -15.008 -31.671 1.00 1.38 H new ATOM 0 HZ PHE A 75 37.563 -14.486 -29.485 1.00 0.94 H new ATOM 1060 N LYS A 76 34.001 -11.132 -29.632 1.00 0.86 N ATOM 1061 CA LYS A 76 34.074 -11.113 -28.142 1.00 0.90 C ATOM 1062 C LYS A 76 34.302 -12.528 -27.604 1.00 0.83 C ATOM 1063 O LYS A 76 33.976 -13.506 -28.243 1.00 0.82 O ATOM 1064 CB LYS A 76 32.715 -10.581 -27.686 1.00 0.95 C ATOM 1065 CG LYS A 76 32.749 -9.052 -27.650 1.00 1.11 C ATOM 1066 CD LYS A 76 32.029 -8.555 -26.395 1.00 1.25 C ATOM 1067 CE LYS A 76 32.488 -7.130 -26.075 1.00 1.80 C ATOM 1068 NZ LYS A 76 33.387 -7.272 -24.895 1.00 2.41 N ATOM 0 H LYS A 76 33.848 -12.051 -30.048 1.00 0.86 H new ATOM 0 HA LYS A 76 34.897 -10.498 -27.778 1.00 0.90 H new ATOM 0 HB2 LYS A 76 31.933 -10.922 -28.365 1.00 0.95 H new ATOM 0 HB3 LYS A 76 32.472 -10.973 -26.698 1.00 0.95 H new ATOM 0 HG2 LYS A 76 33.781 -8.700 -27.654 1.00 1.11 H new ATOM 0 HG3 LYS A 76 32.271 -8.646 -28.541 1.00 1.11 H new ATOM 0 HD2 LYS A 76 30.950 -8.575 -26.549 1.00 1.25 H new ATOM 0 HD3 LYS A 76 32.243 -9.215 -25.554 1.00 1.25 H new ATOM 0 HE2 LYS A 76 33.013 -6.685 -26.920 1.00 1.80 H new ATOM 0 HE3 LYS A 76 31.640 -6.483 -25.850 1.00 1.80 H new ATOM 0 HZ1 LYS A 76 33.743 -6.336 -24.615 1.00 2.41 H new ATOM 0 HZ2 LYS A 76 32.858 -7.692 -24.104 1.00 2.41 H new ATOM 0 HZ3 LYS A 76 34.188 -7.888 -25.141 1.00 2.41 H new ATOM 1082 N ARG A 77 34.858 -12.647 -26.430 1.00 0.86 N ATOM 1083 CA ARG A 77 35.098 -14.002 -25.860 1.00 0.83 C ATOM 1084 C ARG A 77 33.809 -14.824 -25.906 1.00 0.76 C ATOM 1085 O ARG A 77 33.833 -16.036 -25.989 1.00 0.73 O ATOM 1086 CB ARG A 77 35.524 -13.754 -24.413 1.00 0.93 C ATOM 1087 CG ARG A 77 37.013 -14.064 -24.262 1.00 1.02 C ATOM 1088 CD ARG A 77 37.364 -14.165 -22.777 1.00 1.25 C ATOM 1089 NE ARG A 77 38.816 -14.494 -22.749 1.00 1.75 N ATOM 1090 CZ ARG A 77 39.695 -13.547 -22.572 1.00 2.28 C ATOM 1091 NH1 ARG A 77 39.501 -12.369 -23.099 1.00 2.90 N ATOM 1092 NH2 ARG A 77 40.768 -13.777 -21.866 1.00 2.85 N ATOM 0 H ARG A 77 35.155 -11.868 -25.843 1.00 0.86 H new ATOM 0 HA ARG A 77 35.853 -14.558 -26.416 1.00 0.83 H new ATOM 0 HB2 ARG A 77 35.327 -12.718 -24.137 1.00 0.93 H new ATOM 0 HB3 ARG A 77 34.941 -14.380 -23.738 1.00 0.93 H new ATOM 0 HG2 ARG A 77 37.254 -14.999 -24.768 1.00 1.02 H new ATOM 0 HG3 ARG A 77 37.608 -13.283 -24.735 1.00 1.02 H new ATOM 0 HD2 ARG A 77 37.161 -13.228 -22.258 1.00 1.25 H new ATOM 0 HD3 ARG A 77 36.774 -14.937 -22.283 1.00 1.25 H new ATOM 0 HE ARG A 77 39.123 -15.459 -22.868 1.00 1.75 H new ATOM 0 HH11 ARG A 77 38.662 -12.189 -23.650 1.00 2.90 H new ATOM 0 HH12 ARG A 77 40.189 -11.629 -22.960 1.00 2.90 H new ATOM 0 HH21 ARG A 77 40.919 -14.697 -21.453 1.00 2.85 H new ATOM 0 HH22 ARG A 77 41.456 -13.037 -21.727 1.00 2.85 H new ATOM 1106 N SER A 78 32.682 -14.169 -25.851 1.00 0.78 N ATOM 1107 CA SER A 78 31.385 -14.903 -25.892 1.00 0.77 C ATOM 1108 C SER A 78 30.340 -14.086 -26.657 1.00 0.76 C ATOM 1109 O SER A 78 30.441 -12.880 -26.769 1.00 0.95 O ATOM 1110 CB SER A 78 30.973 -15.062 -24.429 1.00 0.88 C ATOM 1111 OG SER A 78 30.135 -16.203 -24.298 1.00 1.64 O ATOM 0 H SER A 78 32.603 -13.155 -25.779 1.00 0.78 H new ATOM 0 HA SER A 78 31.471 -15.865 -26.398 1.00 0.77 H new ATOM 0 HB2 SER A 78 31.857 -15.171 -23.800 1.00 0.88 H new ATOM 0 HB3 SER A 78 30.448 -14.170 -24.088 1.00 0.88 H new ATOM 0 HG SER A 78 29.870 -16.309 -23.360 1.00 1.64 H new ATOM 1117 N TYR A 79 29.336 -14.734 -27.184 1.00 0.69 N ATOM 1118 CA TYR A 79 28.284 -13.995 -27.940 1.00 0.71 C ATOM 1119 C TYR A 79 26.891 -14.428 -27.457 1.00 0.74 C ATOM 1120 O TYR A 79 26.739 -14.925 -26.359 1.00 0.73 O ATOM 1121 CB TYR A 79 28.509 -14.381 -29.404 1.00 0.74 C ATOM 1122 CG TYR A 79 29.981 -14.266 -29.743 1.00 0.65 C ATOM 1123 CD1 TYR A 79 30.890 -15.237 -29.295 1.00 1.31 C ATOM 1124 CD2 TYR A 79 30.437 -13.189 -30.513 1.00 1.42 C ATOM 1125 CE1 TYR A 79 32.247 -15.126 -29.616 1.00 1.29 C ATOM 1126 CE2 TYR A 79 31.795 -13.080 -30.833 1.00 1.50 C ATOM 1127 CZ TYR A 79 32.699 -14.049 -30.385 1.00 0.80 C ATOM 1128 OH TYR A 79 34.037 -13.942 -30.700 1.00 0.98 O ATOM 0 H TYR A 79 29.199 -15.743 -27.124 1.00 0.69 H new ATOM 0 HA TYR A 79 28.341 -12.916 -27.798 1.00 0.71 H new ATOM 0 HB2 TYR A 79 28.165 -15.400 -29.578 1.00 0.74 H new ATOM 0 HB3 TYR A 79 27.924 -13.731 -30.055 1.00 0.74 H new ATOM 0 HD1 TYR A 79 30.542 -16.070 -28.702 1.00 1.31 H new ATOM 0 HD2 TYR A 79 29.740 -12.441 -30.861 1.00 1.42 H new ATOM 0 HE1 TYR A 79 32.946 -15.873 -29.270 1.00 1.29 H new ATOM 0 HE2 TYR A 79 32.145 -12.248 -31.426 1.00 1.50 H new ATOM 0 HH TYR A 79 34.134 -13.514 -31.576 1.00 0.98 H new ATOM 1138 N SER A 80 25.870 -14.239 -28.256 1.00 0.90 N ATOM 1139 CA SER A 80 24.498 -14.642 -27.810 1.00 0.99 C ATOM 1140 C SER A 80 23.624 -15.046 -29.017 1.00 1.29 C ATOM 1141 O SER A 80 23.965 -15.934 -29.766 1.00 2.22 O ATOM 1142 CB SER A 80 23.935 -13.400 -27.120 1.00 1.10 C ATOM 1143 OG SER A 80 23.776 -12.361 -28.078 1.00 1.62 O ATOM 0 H SER A 80 25.924 -13.828 -29.188 1.00 0.90 H new ATOM 0 HA SER A 80 24.518 -15.507 -27.147 1.00 0.99 H new ATOM 0 HB2 SER A 80 22.977 -13.631 -26.655 1.00 1.10 H new ATOM 0 HB3 SER A 80 24.606 -13.077 -26.324 1.00 1.10 H new ATOM 0 HG SER A 80 23.413 -11.564 -27.639 1.00 1.62 H new ATOM 1149 N TYR A 81 22.490 -14.414 -29.207 1.00 0.95 N ATOM 1150 CA TYR A 81 21.609 -14.780 -30.359 1.00 1.11 C ATOM 1151 C TYR A 81 21.857 -13.821 -31.542 1.00 1.27 C ATOM 1152 O TYR A 81 21.078 -13.749 -32.473 1.00 1.87 O ATOM 1153 CB TYR A 81 20.184 -14.662 -29.784 1.00 1.26 C ATOM 1154 CG TYR A 81 19.262 -13.909 -30.715 1.00 1.23 C ATOM 1155 CD1 TYR A 81 19.435 -12.535 -30.912 1.00 1.84 C ATOM 1156 CD2 TYR A 81 18.232 -14.588 -31.377 1.00 1.62 C ATOM 1157 CE1 TYR A 81 18.578 -11.838 -31.772 1.00 1.85 C ATOM 1158 CE2 TYR A 81 17.376 -13.892 -32.237 1.00 1.71 C ATOM 1159 CZ TYR A 81 17.548 -12.517 -32.435 1.00 1.38 C ATOM 1160 OH TYR A 81 16.704 -11.831 -33.284 1.00 1.52 O ATOM 0 H TYR A 81 22.138 -13.662 -28.615 1.00 0.95 H new ATOM 0 HA TYR A 81 21.794 -15.778 -30.757 1.00 1.11 H new ATOM 0 HB2 TYR A 81 19.782 -15.659 -29.602 1.00 1.26 H new ATOM 0 HB3 TYR A 81 20.222 -14.153 -28.821 1.00 1.26 H new ATOM 0 HD1 TYR A 81 20.230 -12.012 -30.401 1.00 1.84 H new ATOM 0 HD2 TYR A 81 18.098 -15.649 -31.224 1.00 1.62 H new ATOM 0 HE1 TYR A 81 18.711 -10.777 -31.924 1.00 1.85 H new ATOM 0 HE2 TYR A 81 16.582 -14.416 -32.748 1.00 1.71 H new ATOM 0 HH TYR A 81 16.046 -12.451 -33.663 1.00 1.52 H new ATOM 1170 N ASN A 82 22.945 -13.097 -31.519 1.00 1.24 N ATOM 1171 CA ASN A 82 23.245 -12.160 -32.641 1.00 1.35 C ATOM 1172 C ASN A 82 24.740 -11.823 -32.668 1.00 1.22 C ATOM 1173 O ASN A 82 25.544 -12.606 -33.132 1.00 1.22 O ATOM 1174 CB ASN A 82 22.401 -10.910 -32.365 1.00 1.53 C ATOM 1175 CG ASN A 82 22.418 -10.587 -30.869 1.00 2.21 C ATOM 1176 OD1 ASN A 82 23.365 -10.905 -30.177 1.00 2.69 O ATOM 1177 ND2 ASN A 82 21.403 -9.962 -30.337 1.00 2.94 N ATOM 0 H ASN A 82 23.639 -13.114 -30.772 1.00 1.24 H new ATOM 0 HA ASN A 82 23.007 -12.593 -33.613 1.00 1.35 H new ATOM 0 HB2 ASN A 82 22.791 -10.065 -32.932 1.00 1.53 H new ATOM 0 HB3 ASN A 82 21.376 -11.072 -32.699 1.00 1.53 H new ATOM 0 HD21 ASN A 82 21.405 -9.741 -29.341 1.00 2.94 H new ATOM 0 HD22 ASN A 82 20.608 -9.695 -30.917 1.00 2.94 H new ATOM 1184 N ASP A 83 25.126 -10.668 -32.190 1.00 1.26 N ATOM 1185 CA ASP A 83 26.572 -10.312 -32.219 1.00 1.18 C ATOM 1186 C ASP A 83 27.144 -10.660 -33.593 1.00 1.08 C ATOM 1187 O ASP A 83 27.833 -11.647 -33.760 1.00 0.96 O ATOM 1188 CB ASP A 83 27.221 -11.166 -31.130 1.00 1.10 C ATOM 1189 CG ASP A 83 28.231 -10.321 -30.352 1.00 1.47 C ATOM 1190 OD1 ASP A 83 28.310 -9.133 -30.619 1.00 1.90 O ATOM 1191 OD2 ASP A 83 28.909 -10.875 -29.502 1.00 2.08 O ATOM 0 H ASP A 83 24.508 -9.964 -31.785 1.00 1.26 H new ATOM 0 HA ASP A 83 26.750 -9.251 -32.046 1.00 1.18 H new ATOM 0 HB2 ASP A 83 26.458 -11.554 -30.454 1.00 1.10 H new ATOM 0 HB3 ASP A 83 27.719 -12.027 -31.577 1.00 1.10 H new ATOM 1196 N ASN A 84 26.841 -9.869 -34.584 1.00 1.15 N ATOM 1197 CA ASN A 84 27.341 -10.166 -35.954 1.00 1.08 C ATOM 1198 C ASN A 84 28.857 -9.957 -36.041 1.00 1.03 C ATOM 1199 O ASN A 84 29.376 -8.934 -35.639 1.00 1.17 O ATOM 1200 CB ASN A 84 26.614 -9.172 -36.859 1.00 1.21 C ATOM 1201 CG ASN A 84 26.544 -9.735 -38.280 1.00 1.86 C ATOM 1202 OD1 ASN A 84 27.499 -10.306 -38.768 1.00 2.52 O ATOM 1203 ND2 ASN A 84 25.445 -9.598 -38.969 1.00 2.44 N ATOM 0 H ASN A 84 26.268 -9.029 -34.504 1.00 1.15 H new ATOM 0 HA ASN A 84 27.155 -11.201 -36.239 1.00 1.08 H new ATOM 0 HB2 ASN A 84 25.609 -8.986 -36.480 1.00 1.21 H new ATOM 0 HB3 ASN A 84 27.136 -8.215 -36.860 1.00 1.21 H new ATOM 0 HD21 ASN A 84 25.388 -9.970 -39.917 1.00 2.44 H new ATOM 0 HD22 ASN A 84 24.643 -9.119 -38.560 1.00 2.44 H new ATOM 1210 N VAL A 85 29.570 -10.915 -36.575 1.00 0.92 N ATOM 1211 CA VAL A 85 31.049 -10.762 -36.699 1.00 0.88 C ATOM 1212 C VAL A 85 31.458 -10.730 -38.175 1.00 0.85 C ATOM 1213 O VAL A 85 31.230 -11.666 -38.914 1.00 0.77 O ATOM 1214 CB VAL A 85 31.660 -11.981 -36.010 1.00 0.77 C ATOM 1215 CG1 VAL A 85 31.417 -11.891 -34.503 1.00 0.88 C ATOM 1216 CG2 VAL A 85 31.023 -13.263 -36.547 1.00 0.66 C ATOM 0 H VAL A 85 29.193 -11.794 -36.929 1.00 0.92 H new ATOM 0 HA VAL A 85 31.392 -9.832 -36.245 1.00 0.88 H new ATOM 0 HB VAL A 85 32.731 -12.001 -36.211 1.00 0.77 H new ATOM 0 HG11 VAL A 85 31.853 -12.761 -34.012 1.00 0.88 H new ATOM 0 HG12 VAL A 85 31.880 -10.984 -34.113 1.00 0.88 H new ATOM 0 HG13 VAL A 85 30.345 -11.864 -34.308 1.00 0.88 H new ATOM 0 HG21 VAL A 85 31.466 -14.126 -36.049 1.00 0.66 H new ATOM 0 HG22 VAL A 85 29.950 -13.244 -36.355 1.00 0.66 H new ATOM 0 HG23 VAL A 85 31.198 -13.334 -37.620 1.00 0.66 H new ATOM 1226 N ASP A 86 32.076 -9.666 -38.603 1.00 0.94 N ATOM 1227 CA ASP A 86 32.519 -9.582 -40.027 1.00 0.93 C ATOM 1228 C ASP A 86 33.831 -10.347 -40.178 1.00 0.84 C ATOM 1229 O ASP A 86 34.747 -10.177 -39.399 1.00 0.90 O ATOM 1230 CB ASP A 86 32.727 -8.092 -40.298 1.00 1.08 C ATOM 1231 CG ASP A 86 31.368 -7.396 -40.402 1.00 1.15 C ATOM 1232 OD1 ASP A 86 30.540 -7.867 -41.165 1.00 1.63 O ATOM 1233 OD2 ASP A 86 31.179 -6.404 -39.718 1.00 1.61 O ATOM 0 H ASP A 86 32.295 -8.850 -38.031 1.00 0.94 H new ATOM 0 HA ASP A 86 31.799 -10.011 -40.724 1.00 0.93 H new ATOM 0 HB2 ASP A 86 33.316 -7.645 -39.497 1.00 1.08 H new ATOM 0 HB3 ASP A 86 33.289 -7.955 -41.222 1.00 1.08 H new ATOM 1238 N PHE A 87 33.929 -11.207 -41.150 1.00 0.75 N ATOM 1239 CA PHE A 87 35.183 -11.990 -41.298 1.00 0.70 C ATOM 1240 C PHE A 87 36.185 -11.291 -42.213 1.00 0.80 C ATOM 1241 O PHE A 87 35.877 -10.875 -43.313 1.00 0.86 O ATOM 1242 CB PHE A 87 34.744 -13.338 -41.854 1.00 0.59 C ATOM 1243 CG PHE A 87 34.232 -14.143 -40.694 1.00 0.52 C ATOM 1244 CD1 PHE A 87 35.132 -14.617 -39.736 1.00 1.30 C ATOM 1245 CD2 PHE A 87 32.862 -14.379 -40.548 1.00 1.24 C ATOM 1246 CE1 PHE A 87 34.665 -15.326 -38.630 1.00 1.29 C ATOM 1247 CE2 PHE A 87 32.393 -15.097 -39.443 1.00 1.24 C ATOM 1248 CZ PHE A 87 33.296 -15.567 -38.483 1.00 0.50 C ATOM 0 H PHE A 87 33.204 -11.400 -41.841 1.00 0.75 H new ATOM 0 HA PHE A 87 35.706 -12.100 -40.348 1.00 0.70 H new ATOM 0 HB2 PHE A 87 33.967 -13.210 -42.608 1.00 0.59 H new ATOM 0 HB3 PHE A 87 35.578 -13.846 -42.338 1.00 0.59 H new ATOM 0 HD1 PHE A 87 36.190 -14.434 -39.852 1.00 1.30 H new ATOM 0 HD2 PHE A 87 32.167 -14.008 -41.287 1.00 1.24 H new ATOM 0 HE1 PHE A 87 35.360 -15.689 -37.888 1.00 1.29 H new ATOM 0 HE2 PHE A 87 31.336 -15.288 -39.331 1.00 1.24 H new ATOM 0 HZ PHE A 87 32.935 -16.117 -37.627 1.00 0.50 H new ATOM 1258 N LYS A 88 37.390 -11.164 -41.736 1.00 0.87 N ATOM 1259 CA LYS A 88 38.467 -10.499 -42.514 1.00 0.99 C ATOM 1260 C LYS A 88 39.459 -11.540 -43.032 1.00 1.00 C ATOM 1261 O LYS A 88 40.386 -11.917 -42.343 1.00 1.12 O ATOM 1262 CB LYS A 88 39.151 -9.595 -41.493 1.00 1.10 C ATOM 1263 CG LYS A 88 39.587 -8.292 -42.166 1.00 1.31 C ATOM 1264 CD LYS A 88 40.836 -7.749 -41.468 1.00 1.54 C ATOM 1265 CE LYS A 88 41.432 -6.610 -42.299 1.00 1.77 C ATOM 1266 NZ LYS A 88 40.358 -5.580 -42.368 1.00 2.42 N ATOM 0 H LYS A 88 37.679 -11.502 -40.818 1.00 0.87 H new ATOM 0 HA LYS A 88 38.089 -9.955 -43.380 1.00 0.99 H new ATOM 0 HB2 LYS A 88 38.470 -9.380 -40.670 1.00 1.10 H new ATOM 0 HB3 LYS A 88 40.016 -10.102 -41.066 1.00 1.10 H new ATOM 0 HG2 LYS A 88 39.795 -8.467 -43.222 1.00 1.31 H new ATOM 0 HG3 LYS A 88 38.782 -7.558 -42.117 1.00 1.31 H new ATOM 0 HD2 LYS A 88 40.581 -7.391 -40.471 1.00 1.54 H new ATOM 0 HD3 LYS A 88 41.570 -8.545 -41.343 1.00 1.54 H new ATOM 0 HE2 LYS A 88 42.333 -6.211 -41.833 1.00 1.77 H new ATOM 0 HE3 LYS A 88 41.714 -6.953 -43.294 1.00 1.77 H new ATOM 0 HZ1 LYS A 88 40.781 -4.650 -42.561 1.00 2.42 H new ATOM 0 HZ2 LYS A 88 39.693 -5.822 -43.130 1.00 2.42 H new ATOM 0 HZ3 LYS A 88 39.849 -5.548 -41.462 1.00 2.42 H new ATOM 1280 N CYS A 89 39.281 -12.007 -44.235 1.00 1.00 N ATOM 1281 CA CYS A 89 40.229 -13.019 -44.775 1.00 1.03 C ATOM 1282 C CYS A 89 41.667 -12.604 -44.456 1.00 1.17 C ATOM 1283 O CYS A 89 42.052 -11.471 -44.661 1.00 1.26 O ATOM 1284 CB CYS A 89 39.992 -13.023 -46.283 1.00 1.06 C ATOM 1285 SG CYS A 89 39.874 -14.731 -46.860 1.00 1.06 S ATOM 0 H CYS A 89 38.526 -11.734 -44.864 1.00 1.00 H new ATOM 0 HA CYS A 89 40.075 -14.007 -44.341 1.00 1.03 H new ATOM 0 HB2 CYS A 89 39.076 -12.482 -46.521 1.00 1.06 H new ATOM 0 HB3 CYS A 89 40.807 -12.510 -46.793 1.00 1.06 H new ATOM 1290 N LYS A 90 42.458 -13.508 -43.944 1.00 1.20 N ATOM 1291 CA LYS A 90 43.868 -13.153 -43.602 1.00 1.36 C ATOM 1292 C LYS A 90 44.479 -12.272 -44.697 1.00 1.44 C ATOM 1293 O LYS A 90 44.554 -11.067 -44.569 1.00 1.61 O ATOM 1294 CB LYS A 90 44.614 -14.485 -43.521 1.00 1.42 C ATOM 1295 CG LYS A 90 44.777 -14.888 -42.055 1.00 1.50 C ATOM 1296 CD LYS A 90 46.166 -15.492 -41.840 1.00 1.80 C ATOM 1297 CE LYS A 90 46.326 -15.893 -40.371 1.00 1.90 C ATOM 1298 NZ LYS A 90 47.215 -17.092 -40.382 1.00 2.28 N ATOM 0 H LYS A 90 42.192 -14.473 -43.748 1.00 1.20 H new ATOM 0 HA LYS A 90 43.928 -12.593 -42.669 1.00 1.36 H new ATOM 0 HB2 LYS A 90 44.065 -15.255 -44.062 1.00 1.42 H new ATOM 0 HB3 LYS A 90 45.591 -14.397 -43.996 1.00 1.42 H new ATOM 0 HG2 LYS A 90 44.644 -14.018 -41.411 1.00 1.50 H new ATOM 0 HG3 LYS A 90 44.009 -15.610 -41.778 1.00 1.50 H new ATOM 0 HD2 LYS A 90 46.299 -16.363 -42.482 1.00 1.80 H new ATOM 0 HD3 LYS A 90 46.935 -14.771 -42.117 1.00 1.80 H new ATOM 0 HE2 LYS A 90 46.766 -15.083 -39.788 1.00 1.90 H new ATOM 0 HE3 LYS A 90 45.361 -16.123 -39.919 1.00 1.90 H new ATOM 0 HZ1 LYS A 90 47.896 -17.026 -39.599 1.00 2.28 H new ATOM 0 HZ2 LYS A 90 46.640 -17.951 -40.270 1.00 2.28 H new ATOM 0 HZ3 LYS A 90 47.729 -17.135 -41.285 1.00 2.28 H new ATOM 1312 N TYR A 91 44.917 -12.870 -45.772 1.00 1.56 N ATOM 1313 CA TYR A 91 45.526 -12.073 -46.878 1.00 1.63 C ATOM 1314 C TYR A 91 45.543 -12.888 -48.176 1.00 1.69 C ATOM 1315 O TYR A 91 45.850 -14.063 -48.177 1.00 1.93 O ATOM 1316 CB TYR A 91 46.953 -11.784 -46.415 1.00 1.83 C ATOM 1317 CG TYR A 91 47.079 -10.326 -46.047 1.00 2.16 C ATOM 1318 CD1 TYR A 91 46.551 -9.342 -46.891 1.00 2.93 C ATOM 1319 CD2 TYR A 91 47.723 -9.958 -44.860 1.00 2.44 C ATOM 1320 CE1 TYR A 91 46.669 -7.989 -46.549 1.00 3.49 C ATOM 1321 CE2 TYR A 91 47.841 -8.606 -44.517 1.00 3.04 C ATOM 1322 CZ TYR A 91 47.314 -7.622 -45.361 1.00 3.40 C ATOM 1323 OH TYR A 91 47.430 -6.288 -45.024 1.00 4.12 O ATOM 0 H TYR A 91 44.880 -13.877 -45.933 1.00 1.56 H new ATOM 0 HA TYR A 91 44.967 -11.160 -47.083 1.00 1.63 H new ATOM 0 HB2 TYR A 91 47.202 -12.409 -45.557 1.00 1.83 H new ATOM 0 HB3 TYR A 91 47.660 -12.032 -47.206 1.00 1.83 H new ATOM 0 HD1 TYR A 91 46.053 -9.626 -47.806 1.00 2.93 H new ATOM 0 HD2 TYR A 91 48.129 -10.718 -44.208 1.00 2.44 H new ATOM 0 HE1 TYR A 91 46.263 -7.229 -47.201 1.00 3.49 H new ATOM 0 HE2 TYR A 91 48.339 -8.322 -43.601 1.00 3.04 H new ATOM 0 HH TYR A 91 47.903 -6.206 -44.169 1.00 4.12 H new ATOM 1333 N GLY A 92 45.220 -12.273 -49.281 1.00 1.67 N ATOM 1334 CA GLY A 92 45.222 -13.015 -50.576 1.00 1.78 C ATOM 1335 C GLY A 92 44.391 -14.291 -50.434 1.00 1.65 C ATOM 1336 O GLY A 92 44.861 -15.382 -50.685 1.00 1.79 O ATOM 0 H GLY A 92 44.955 -11.290 -49.344 1.00 1.67 H new ATOM 0 HA2 GLY A 92 44.812 -12.388 -51.367 1.00 1.78 H new ATOM 0 HA3 GLY A 92 46.244 -13.264 -50.863 1.00 1.78 H new ATOM 1340 N TYR A 93 43.159 -14.160 -50.029 1.00 1.47 N ATOM 1341 CA TYR A 93 42.287 -15.359 -49.861 1.00 1.35 C ATOM 1342 C TYR A 93 40.815 -14.940 -49.920 1.00 1.23 C ATOM 1343 O TYR A 93 40.462 -13.831 -49.571 1.00 1.25 O ATOM 1344 CB TYR A 93 42.634 -15.896 -48.474 1.00 1.30 C ATOM 1345 CG TYR A 93 43.957 -16.628 -48.510 1.00 1.46 C ATOM 1346 CD1 TYR A 93 44.218 -17.572 -49.511 1.00 1.82 C ATOM 1347 CD2 TYR A 93 44.923 -16.362 -47.532 1.00 2.07 C ATOM 1348 CE1 TYR A 93 45.446 -18.247 -49.532 1.00 1.94 C ATOM 1349 CE2 TYR A 93 46.149 -17.037 -47.554 1.00 2.21 C ATOM 1350 CZ TYR A 93 46.410 -17.979 -48.554 1.00 1.79 C ATOM 1351 OH TYR A 93 47.619 -18.644 -48.576 1.00 1.97 O ATOM 0 H TYR A 93 42.715 -13.269 -49.806 1.00 1.47 H new ATOM 0 HA TYR A 93 42.441 -16.106 -50.640 1.00 1.35 H new ATOM 0 HB2 TYR A 93 42.685 -15.074 -47.761 1.00 1.30 H new ATOM 0 HB3 TYR A 93 41.848 -16.568 -48.130 1.00 1.30 H new ATOM 0 HD1 TYR A 93 43.474 -17.780 -50.266 1.00 1.82 H new ATOM 0 HD2 TYR A 93 44.722 -15.635 -46.759 1.00 2.07 H new ATOM 0 HE1 TYR A 93 45.648 -18.975 -50.304 1.00 1.94 H new ATOM 0 HE2 TYR A 93 46.893 -16.830 -46.799 1.00 2.21 H new ATOM 0 HH TYR A 93 48.174 -18.339 -47.828 1.00 1.97 H new ATOM 1361 N LYS A 94 39.953 -15.818 -50.355 1.00 1.17 N ATOM 1362 CA LYS A 94 38.506 -15.466 -50.433 1.00 1.08 C ATOM 1363 C LYS A 94 37.730 -16.202 -49.337 1.00 0.95 C ATOM 1364 O LYS A 94 37.890 -17.389 -49.141 1.00 1.02 O ATOM 1365 CB LYS A 94 38.058 -15.935 -51.818 1.00 1.16 C ATOM 1366 CG LYS A 94 36.694 -15.325 -52.149 1.00 1.60 C ATOM 1367 CD LYS A 94 36.047 -16.108 -53.294 1.00 1.94 C ATOM 1368 CE LYS A 94 34.532 -16.164 -53.085 1.00 2.36 C ATOM 1369 NZ LYS A 94 34.053 -14.782 -53.369 1.00 3.05 N ATOM 0 H LYS A 94 40.187 -16.763 -50.660 1.00 1.17 H new ATOM 0 HA LYS A 94 38.328 -14.400 -50.290 1.00 1.08 H new ATOM 0 HB2 LYS A 94 38.792 -15.640 -52.568 1.00 1.16 H new ATOM 0 HB3 LYS A 94 37.997 -17.023 -51.843 1.00 1.16 H new ATOM 0 HG2 LYS A 94 36.051 -15.348 -51.270 1.00 1.60 H new ATOM 0 HG3 LYS A 94 36.811 -14.279 -52.431 1.00 1.60 H new ATOM 0 HD2 LYS A 94 36.275 -15.633 -54.248 1.00 1.94 H new ATOM 0 HD3 LYS A 94 36.456 -17.117 -53.335 1.00 1.94 H new ATOM 0 HE2 LYS A 94 34.068 -16.888 -53.754 1.00 2.36 H new ATOM 0 HE3 LYS A 94 34.285 -16.466 -52.067 1.00 2.36 H new ATOM 0 HZ1 LYS A 94 33.016 -14.783 -53.447 1.00 3.05 H new ATOM 0 HZ2 LYS A 94 34.341 -14.149 -52.596 1.00 3.05 H new ATOM 0 HZ3 LYS A 94 34.467 -14.448 -54.263 1.00 3.05 H new ATOM 1383 N LEU A 95 36.895 -15.507 -48.618 1.00 0.90 N ATOM 1384 CA LEU A 95 36.117 -16.175 -47.536 1.00 0.78 C ATOM 1385 C LEU A 95 35.040 -17.079 -48.136 1.00 0.80 C ATOM 1386 O LEU A 95 33.935 -16.651 -48.404 1.00 0.87 O ATOM 1387 CB LEU A 95 35.471 -15.036 -46.746 1.00 0.73 C ATOM 1388 CG LEU A 95 36.502 -14.402 -45.813 1.00 0.74 C ATOM 1389 CD1 LEU A 95 36.451 -12.880 -45.958 1.00 0.83 C ATOM 1390 CD2 LEU A 95 36.185 -14.785 -44.367 1.00 0.76 C ATOM 0 H LEU A 95 36.717 -14.509 -48.731 1.00 0.90 H new ATOM 0 HA LEU A 95 36.749 -16.803 -46.908 1.00 0.78 H new ATOM 0 HB2 LEU A 95 35.076 -14.285 -47.430 1.00 0.73 H new ATOM 0 HB3 LEU A 95 34.628 -15.415 -46.168 1.00 0.73 H new ATOM 0 HG LEU A 95 37.498 -14.761 -46.074 1.00 0.74 H new ATOM 0 HD11 LEU A 95 37.186 -12.426 -45.293 1.00 0.83 H new ATOM 0 HD12 LEU A 95 36.675 -12.605 -46.989 1.00 0.83 H new ATOM 0 HD13 LEU A 95 35.455 -12.523 -45.696 1.00 0.83 H new ATOM 0 HD21 LEU A 95 36.920 -14.333 -43.701 1.00 0.76 H new ATOM 0 HD22 LEU A 95 35.190 -14.426 -44.105 1.00 0.76 H new ATOM 0 HD23 LEU A 95 36.219 -15.869 -44.262 1.00 0.76 H new ATOM 1402 N SER A 96 35.348 -18.329 -48.343 1.00 0.82 N ATOM 1403 CA SER A 96 34.332 -19.254 -48.915 1.00 0.87 C ATOM 1404 C SER A 96 33.232 -19.512 -47.883 1.00 0.81 C ATOM 1405 O SER A 96 33.395 -20.303 -46.975 1.00 0.80 O ATOM 1406 CB SER A 96 35.097 -20.541 -49.226 1.00 0.99 C ATOM 1407 OG SER A 96 34.356 -21.656 -48.750 1.00 1.14 O ATOM 0 H SER A 96 36.256 -18.748 -48.142 1.00 0.82 H new ATOM 0 HA SER A 96 33.849 -18.850 -49.805 1.00 0.87 H new ATOM 0 HB2 SER A 96 35.260 -20.630 -50.300 1.00 0.99 H new ATOM 0 HB3 SER A 96 36.080 -20.516 -48.756 1.00 0.99 H new ATOM 0 HG SER A 96 34.213 -21.566 -47.785 1.00 1.14 H new ATOM 1413 N GLY A 97 32.117 -18.846 -48.009 1.00 0.82 N ATOM 1414 CA GLY A 97 31.014 -19.053 -47.029 1.00 0.82 C ATOM 1415 C GLY A 97 30.298 -17.726 -46.766 1.00 0.82 C ATOM 1416 O GLY A 97 29.350 -17.376 -47.442 1.00 1.07 O ATOM 0 H GLY A 97 31.922 -18.169 -48.747 1.00 0.82 H new ATOM 0 HA2 GLY A 97 30.307 -19.788 -47.413 1.00 0.82 H new ATOM 0 HA3 GLY A 97 31.414 -19.452 -46.097 1.00 0.82 H new ATOM 1420 N SER A 98 30.736 -16.989 -45.781 1.00 0.72 N ATOM 1421 CA SER A 98 30.073 -15.691 -45.467 1.00 0.74 C ATOM 1422 C SER A 98 31.039 -14.758 -44.727 1.00 0.72 C ATOM 1423 O SER A 98 31.470 -15.040 -43.627 1.00 1.04 O ATOM 1424 CB SER A 98 28.899 -16.073 -44.570 1.00 0.80 C ATOM 1425 OG SER A 98 27.860 -15.115 -44.722 1.00 1.41 O ATOM 0 H SER A 98 31.524 -17.230 -45.180 1.00 0.72 H new ATOM 0 HA SER A 98 29.755 -15.157 -46.363 1.00 0.74 H new ATOM 0 HB2 SER A 98 28.535 -17.066 -44.832 1.00 0.80 H new ATOM 0 HB3 SER A 98 29.220 -16.116 -43.529 1.00 0.80 H new ATOM 0 HG SER A 98 27.751 -14.615 -43.886 1.00 1.41 H new ATOM 1431 N SER A 99 31.381 -13.647 -45.325 1.00 0.73 N ATOM 1432 CA SER A 99 32.321 -12.694 -44.662 1.00 0.73 C ATOM 1433 C SER A 99 31.624 -11.950 -43.520 1.00 0.77 C ATOM 1434 O SER A 99 32.212 -11.114 -42.864 1.00 1.02 O ATOM 1435 CB SER A 99 32.732 -11.718 -45.763 1.00 0.90 C ATOM 1436 OG SER A 99 32.780 -12.407 -47.006 1.00 1.51 O ATOM 0 H SER A 99 31.050 -13.358 -46.245 1.00 0.73 H new ATOM 0 HA SER A 99 33.177 -13.205 -44.222 1.00 0.73 H new ATOM 0 HB2 SER A 99 32.021 -10.893 -45.818 1.00 0.90 H new ATOM 0 HB3 SER A 99 33.706 -11.285 -45.536 1.00 0.90 H new ATOM 0 HG SER A 99 33.042 -11.784 -47.716 1.00 1.51 H new ATOM 1442 N SER A 100 30.380 -12.246 -43.272 1.00 0.86 N ATOM 1443 CA SER A 100 29.658 -11.554 -42.167 1.00 0.89 C ATOM 1444 C SER A 100 28.659 -12.513 -41.520 1.00 0.86 C ATOM 1445 O SER A 100 27.634 -12.834 -42.089 1.00 0.99 O ATOM 1446 CB SER A 100 28.934 -10.386 -42.832 1.00 1.03 C ATOM 1447 OG SER A 100 27.845 -10.884 -43.598 1.00 1.15 O ATOM 0 H SER A 100 29.831 -12.936 -43.785 1.00 0.86 H new ATOM 0 HA SER A 100 30.330 -11.213 -41.380 1.00 0.89 H new ATOM 0 HB2 SER A 100 28.573 -9.689 -42.076 1.00 1.03 H new ATOM 0 HB3 SER A 100 29.622 -9.834 -43.472 1.00 1.03 H new ATOM 0 HG SER A 100 27.811 -11.860 -43.521 1.00 1.15 H new ATOM 1453 N SER A 101 28.953 -12.982 -40.340 1.00 0.79 N ATOM 1454 CA SER A 101 28.022 -13.929 -39.667 1.00 0.78 C ATOM 1455 C SER A 101 27.577 -13.384 -38.318 1.00 0.84 C ATOM 1456 O SER A 101 28.066 -12.379 -37.843 1.00 0.92 O ATOM 1457 CB SER A 101 28.827 -15.213 -39.482 1.00 0.67 C ATOM 1458 OG SER A 101 29.445 -15.563 -40.713 1.00 0.74 O ATOM 0 H SER A 101 29.796 -12.751 -39.814 1.00 0.79 H new ATOM 0 HA SER A 101 27.117 -14.090 -40.252 1.00 0.78 H new ATOM 0 HB2 SER A 101 29.583 -15.073 -38.709 1.00 0.67 H new ATOM 0 HB3 SER A 101 28.175 -16.020 -39.147 1.00 0.67 H new ATOM 0 HG SER A 101 30.356 -15.202 -40.736 1.00 0.74 H new ATOM 1464 N THR A 102 26.644 -14.046 -37.699 1.00 0.87 N ATOM 1465 CA THR A 102 26.155 -13.576 -36.381 1.00 0.94 C ATOM 1466 C THR A 102 25.853 -14.764 -35.475 1.00 0.90 C ATOM 1467 O THR A 102 25.293 -15.758 -35.894 1.00 0.91 O ATOM 1468 CB THR A 102 24.881 -12.792 -36.687 1.00 1.10 C ATOM 1469 OG1 THR A 102 24.978 -12.220 -37.985 1.00 1.26 O ATOM 1470 CG2 THR A 102 24.708 -11.685 -35.650 1.00 1.14 C ATOM 0 H THR A 102 26.199 -14.894 -38.051 1.00 0.87 H new ATOM 0 HA THR A 102 26.892 -12.964 -35.861 1.00 0.94 H new ATOM 0 HB THR A 102 24.021 -13.461 -36.651 1.00 1.10 H new ATOM 0 HG1 THR A 102 24.160 -11.717 -38.183 1.00 1.26 H new ATOM 0 HG21 THR A 102 23.799 -11.123 -35.866 1.00 1.14 H new ATOM 0 HG22 THR A 102 24.635 -12.126 -34.656 1.00 1.14 H new ATOM 0 HG23 THR A 102 25.566 -11.014 -35.687 1.00 1.14 H new ATOM 1478 N CYS A 103 26.219 -14.663 -34.231 1.00 0.88 N ATOM 1479 CA CYS A 103 25.954 -15.777 -33.289 1.00 0.87 C ATOM 1480 C CYS A 103 24.449 -15.944 -33.098 1.00 0.92 C ATOM 1481 O CYS A 103 23.827 -15.223 -32.348 1.00 1.16 O ATOM 1482 CB CYS A 103 26.609 -15.349 -31.982 1.00 0.88 C ATOM 1483 SG CYS A 103 26.362 -16.648 -30.757 1.00 1.24 S ATOM 0 H CYS A 103 26.691 -13.855 -33.826 1.00 0.88 H new ATOM 0 HA CYS A 103 26.344 -16.730 -33.648 1.00 0.87 H new ATOM 0 HB2 CYS A 103 27.674 -15.171 -32.134 1.00 0.88 H new ATOM 0 HB3 CYS A 103 26.176 -14.412 -31.632 1.00 0.88 H new ATOM 1488 N SER A 104 23.859 -16.883 -33.776 1.00 0.92 N ATOM 1489 CA SER A 104 22.390 -17.085 -33.636 1.00 0.98 C ATOM 1490 C SER A 104 22.076 -17.871 -32.366 1.00 0.99 C ATOM 1491 O SER A 104 22.966 -18.317 -31.669 1.00 0.95 O ATOM 1492 CB SER A 104 21.980 -17.880 -34.874 1.00 1.03 C ATOM 1493 OG SER A 104 21.180 -17.060 -35.715 1.00 1.69 O ATOM 0 H SER A 104 24.327 -17.520 -34.421 1.00 0.92 H new ATOM 0 HA SER A 104 21.852 -16.140 -33.560 1.00 0.98 H new ATOM 0 HB2 SER A 104 22.865 -18.219 -35.412 1.00 1.03 H new ATOM 0 HB3 SER A 104 21.425 -18.771 -34.581 1.00 1.03 H new ATOM 0 HG SER A 104 20.917 -17.567 -36.511 1.00 1.69 H new ATOM 1499 N PRO A 105 20.806 -18.004 -32.108 1.00 1.10 N ATOM 1500 CA PRO A 105 20.349 -18.733 -30.908 1.00 1.17 C ATOM 1501 C PRO A 105 20.543 -20.235 -31.078 1.00 1.19 C ATOM 1502 O PRO A 105 20.087 -20.834 -32.032 1.00 1.57 O ATOM 1503 CB PRO A 105 18.874 -18.370 -30.804 1.00 1.32 C ATOM 1504 CG PRO A 105 18.462 -18.000 -32.193 1.00 1.34 C ATOM 1505 CD PRO A 105 19.689 -17.491 -32.906 1.00 1.21 C ATOM 0 HA PRO A 105 20.907 -18.467 -30.010 1.00 1.17 H new ATOM 0 HB2 PRO A 105 18.288 -19.209 -30.430 1.00 1.32 H new ATOM 0 HB3 PRO A 105 18.720 -17.541 -30.114 1.00 1.32 H new ATOM 0 HG2 PRO A 105 18.046 -18.863 -32.713 1.00 1.34 H new ATOM 0 HG3 PRO A 105 17.685 -17.236 -32.172 1.00 1.34 H new ATOM 0 HD2 PRO A 105 19.733 -17.855 -33.933 1.00 1.21 H new ATOM 0 HD3 PRO A 105 19.700 -16.402 -32.953 1.00 1.21 H new ATOM 1513 N GLY A 106 21.227 -20.844 -30.154 1.00 1.37 N ATOM 1514 CA GLY A 106 21.470 -22.305 -30.242 1.00 1.37 C ATOM 1515 C GLY A 106 22.970 -22.578 -30.096 1.00 1.18 C ATOM 1516 O GLY A 106 23.403 -23.714 -30.100 1.00 1.31 O ATOM 0 H GLY A 106 21.631 -20.388 -29.336 1.00 1.37 H new ATOM 0 HA2 GLY A 106 20.916 -22.825 -29.460 1.00 1.37 H new ATOM 0 HA3 GLY A 106 21.110 -22.688 -31.197 1.00 1.37 H new ATOM 1520 N ASN A 107 23.762 -21.538 -29.964 1.00 0.97 N ATOM 1521 CA ASN A 107 25.244 -21.707 -29.807 1.00 0.87 C ATOM 1522 C ASN A 107 25.904 -22.008 -31.150 1.00 0.77 C ATOM 1523 O ASN A 107 26.091 -23.152 -31.511 1.00 0.82 O ATOM 1524 CB ASN A 107 25.437 -22.886 -28.850 1.00 1.05 C ATOM 1525 CG ASN A 107 26.497 -22.530 -27.805 1.00 1.31 C ATOM 1526 OD1 ASN A 107 26.759 -21.370 -27.560 1.00 1.83 O ATOM 1527 ND2 ASN A 107 27.122 -23.488 -27.176 1.00 1.95 N ATOM 0 H ASN A 107 23.441 -20.570 -29.958 1.00 0.97 H new ATOM 0 HA ASN A 107 25.702 -20.795 -29.424 1.00 0.87 H new ATOM 0 HB2 ASN A 107 24.494 -23.127 -28.359 1.00 1.05 H new ATOM 0 HB3 ASN A 107 25.743 -23.772 -29.406 1.00 1.05 H new ATOM 0 HD21 ASN A 107 27.831 -23.262 -26.478 1.00 1.95 H new ATOM 0 HD22 ASN A 107 26.901 -24.462 -27.382 1.00 1.95 H new ATOM 1534 N THR A 108 26.273 -20.995 -31.888 1.00 0.74 N ATOM 1535 CA THR A 108 26.934 -21.245 -33.199 1.00 0.67 C ATOM 1536 C THR A 108 27.231 -19.939 -33.934 1.00 0.64 C ATOM 1537 O THR A 108 27.266 -18.873 -33.351 1.00 0.81 O ATOM 1538 CB THR A 108 25.939 -22.084 -33.994 1.00 0.67 C ATOM 1539 OG1 THR A 108 24.656 -22.010 -33.388 1.00 0.71 O ATOM 1540 CG2 THR A 108 26.421 -23.528 -34.009 1.00 0.79 C ATOM 0 H THR A 108 26.146 -20.013 -31.641 1.00 0.74 H new ATOM 0 HA THR A 108 27.893 -21.747 -33.069 1.00 0.67 H new ATOM 0 HB THR A 108 25.867 -21.707 -35.014 1.00 0.67 H new ATOM 0 HG1 THR A 108 24.020 -22.549 -33.902 1.00 0.71 H new ATOM 0 HG21 THR A 108 25.719 -24.140 -34.575 1.00 0.79 H new ATOM 0 HG22 THR A 108 27.404 -23.578 -34.476 1.00 0.79 H new ATOM 0 HG23 THR A 108 26.486 -23.901 -32.987 1.00 0.79 H new ATOM 1548 N TRP A 109 27.459 -20.027 -35.216 1.00 0.60 N ATOM 1549 CA TRP A 109 27.771 -18.810 -36.013 1.00 0.59 C ATOM 1550 C TRP A 109 27.125 -18.906 -37.396 1.00 0.68 C ATOM 1551 O TRP A 109 27.674 -19.483 -38.314 1.00 0.69 O ATOM 1552 CB TRP A 109 29.292 -18.806 -36.108 1.00 0.51 C ATOM 1553 CG TRP A 109 29.833 -18.090 -34.916 1.00 0.48 C ATOM 1554 CD1 TRP A 109 30.631 -18.631 -33.960 1.00 0.45 C ATOM 1555 CD2 TRP A 109 29.614 -16.705 -34.530 1.00 0.53 C ATOM 1556 NE1 TRP A 109 30.906 -17.660 -33.015 1.00 0.47 N ATOM 1557 CE2 TRP A 109 30.309 -16.457 -33.326 1.00 0.52 C ATOM 1558 CE3 TRP A 109 28.889 -15.649 -35.106 1.00 0.61 C ATOM 1559 CZ2 TRP A 109 30.288 -15.207 -32.715 1.00 0.61 C ATOM 1560 CZ3 TRP A 109 28.865 -14.386 -34.494 1.00 0.69 C ATOM 1561 CH2 TRP A 109 29.563 -14.164 -33.300 1.00 0.69 C ATOM 0 H TRP A 109 27.442 -20.897 -35.748 1.00 0.60 H new ATOM 0 HA TRP A 109 27.389 -17.894 -35.563 1.00 0.59 H new ATOM 0 HB2 TRP A 109 29.673 -19.827 -36.143 1.00 0.51 H new ATOM 0 HB3 TRP A 109 29.614 -18.313 -37.026 1.00 0.51 H new ATOM 0 HD1 TRP A 109 30.991 -19.649 -33.941 1.00 0.45 H new ATOM 0 HE1 TRP A 109 31.481 -17.815 -32.187 1.00 0.47 H new ATOM 0 HE3 TRP A 109 28.346 -15.810 -36.026 1.00 0.61 H new ATOM 0 HZ2 TRP A 109 30.828 -15.043 -31.794 1.00 0.61 H new ATOM 0 HZ3 TRP A 109 28.305 -13.581 -34.946 1.00 0.69 H new ATOM 0 HH2 TRP A 109 29.541 -13.191 -32.833 1.00 0.69 H new ATOM 1572 N LYS A 110 25.953 -18.346 -37.546 1.00 0.81 N ATOM 1573 CA LYS A 110 25.258 -18.405 -38.864 1.00 0.91 C ATOM 1574 C LYS A 110 25.376 -17.057 -39.590 1.00 0.92 C ATOM 1575 O LYS A 110 25.306 -16.018 -38.963 1.00 0.96 O ATOM 1576 CB LYS A 110 23.797 -18.698 -38.522 1.00 1.07 C ATOM 1577 CG LYS A 110 23.721 -19.925 -37.611 1.00 1.07 C ATOM 1578 CD LYS A 110 22.802 -20.972 -38.242 1.00 1.53 C ATOM 1579 CE LYS A 110 21.742 -21.400 -37.224 1.00 2.04 C ATOM 1580 NZ LYS A 110 20.536 -20.583 -37.547 1.00 2.64 N ATOM 0 H LYS A 110 25.448 -17.850 -36.812 1.00 0.81 H new ATOM 0 HA LYS A 110 25.687 -19.159 -39.524 1.00 0.91 H new ATOM 0 HB2 LYS A 110 23.349 -17.836 -38.027 1.00 1.07 H new ATOM 0 HB3 LYS A 110 23.227 -18.874 -39.434 1.00 1.07 H new ATOM 0 HG2 LYS A 110 24.717 -20.342 -37.461 1.00 1.07 H new ATOM 0 HG3 LYS A 110 23.344 -19.639 -36.629 1.00 1.07 H new ATOM 0 HD2 LYS A 110 22.323 -20.562 -39.131 1.00 1.53 H new ATOM 0 HD3 LYS A 110 23.384 -21.836 -38.563 1.00 1.53 H new ATOM 0 HE2 LYS A 110 21.528 -22.466 -37.303 1.00 2.04 H new ATOM 0 HE3 LYS A 110 22.080 -21.217 -36.204 1.00 2.04 H new ATOM 0 HZ1 LYS A 110 19.768 -20.823 -36.889 1.00 2.64 H new ATOM 0 HZ2 LYS A 110 20.767 -19.573 -37.456 1.00 2.64 H new ATOM 0 HZ3 LYS A 110 20.232 -20.783 -38.521 1.00 2.64 H new ATOM 1594 N PRO A 111 25.542 -17.107 -40.892 1.00 0.94 N ATOM 1595 CA PRO A 111 25.623 -18.398 -41.628 1.00 0.96 C ATOM 1596 C PRO A 111 26.952 -19.104 -41.341 1.00 0.85 C ATOM 1597 O PRO A 111 27.831 -18.562 -40.700 1.00 0.73 O ATOM 1598 CB PRO A 111 25.545 -17.979 -43.093 1.00 1.05 C ATOM 1599 CG PRO A 111 26.038 -16.572 -43.114 1.00 1.00 C ATOM 1600 CD PRO A 111 25.661 -15.958 -41.795 1.00 0.98 C ATOM 0 HA PRO A 111 24.839 -19.099 -41.342 1.00 0.96 H new ATOM 0 HB2 PRO A 111 26.160 -18.623 -43.722 1.00 1.05 H new ATOM 0 HB3 PRO A 111 24.524 -18.046 -43.470 1.00 1.05 H new ATOM 0 HG2 PRO A 111 27.118 -16.543 -43.259 1.00 1.00 H new ATOM 0 HG3 PRO A 111 25.591 -16.018 -43.940 1.00 1.00 H new ATOM 0 HD2 PRO A 111 26.420 -15.256 -41.450 1.00 0.98 H new ATOM 0 HD3 PRO A 111 24.724 -15.406 -41.865 1.00 0.98 H new ATOM 1608 N GLU A 112 27.098 -20.312 -41.808 1.00 0.96 N ATOM 1609 CA GLU A 112 28.359 -21.068 -41.563 1.00 0.95 C ATOM 1610 C GLU A 112 29.580 -20.155 -41.709 1.00 0.80 C ATOM 1611 O GLU A 112 29.753 -19.485 -42.708 1.00 0.91 O ATOM 1612 CB GLU A 112 28.377 -22.158 -42.636 1.00 1.16 C ATOM 1613 CG GLU A 112 28.769 -23.493 -42.000 1.00 1.73 C ATOM 1614 CD GLU A 112 27.523 -24.172 -41.430 1.00 2.21 C ATOM 1615 OE1 GLU A 112 26.458 -23.583 -41.519 1.00 2.65 O ATOM 1616 OE2 GLU A 112 27.654 -25.269 -40.913 1.00 2.77 O ATOM 0 H GLU A 112 26.395 -20.812 -42.352 1.00 0.96 H new ATOM 0 HA GLU A 112 28.398 -21.478 -40.554 1.00 0.95 H new ATOM 0 HB2 GLU A 112 27.396 -22.240 -43.103 1.00 1.16 H new ATOM 0 HB3 GLU A 112 29.084 -21.897 -43.423 1.00 1.16 H new ATOM 0 HG2 GLU A 112 29.240 -24.137 -42.743 1.00 1.73 H new ATOM 0 HG3 GLU A 112 29.501 -23.330 -41.209 1.00 1.73 H new ATOM 1623 N LEU A 113 30.432 -20.136 -40.720 1.00 0.68 N ATOM 1624 CA LEU A 113 31.656 -19.284 -40.791 1.00 0.55 C ATOM 1625 C LEU A 113 32.262 -19.352 -42.190 1.00 0.55 C ATOM 1626 O LEU A 113 32.216 -20.376 -42.843 1.00 0.64 O ATOM 1627 CB LEU A 113 32.608 -19.899 -39.764 1.00 0.58 C ATOM 1628 CG LEU A 113 32.812 -18.955 -38.567 1.00 0.54 C ATOM 1629 CD1 LEU A 113 31.528 -18.177 -38.261 1.00 0.41 C ATOM 1630 CD2 LEU A 113 33.194 -19.784 -37.339 1.00 0.85 C ATOM 0 H LEU A 113 30.333 -20.677 -39.861 1.00 0.68 H new ATOM 0 HA LEU A 113 31.450 -18.233 -40.587 1.00 0.55 H new ATOM 0 HB2 LEU A 113 32.208 -20.851 -39.416 1.00 0.58 H new ATOM 0 HB3 LEU A 113 33.569 -20.109 -40.234 1.00 0.58 H new ATOM 0 HG LEU A 113 33.602 -18.245 -38.812 1.00 0.54 H new ATOM 0 HD11 LEU A 113 31.697 -17.516 -37.411 1.00 0.41 H new ATOM 0 HD12 LEU A 113 31.246 -17.584 -39.131 1.00 0.41 H new ATOM 0 HD13 LEU A 113 30.727 -18.877 -38.023 1.00 0.41 H new ATOM 0 HD21 LEU A 113 33.341 -19.123 -36.485 1.00 0.85 H new ATOM 0 HD22 LEU A 113 32.397 -20.493 -37.116 1.00 0.85 H new ATOM 0 HD23 LEU A 113 34.117 -20.328 -37.540 1.00 0.85 H new ATOM 1642 N PRO A 114 32.809 -18.247 -42.600 1.00 0.50 N ATOM 1643 CA PRO A 114 33.436 -18.157 -43.938 1.00 0.55 C ATOM 1644 C PRO A 114 34.749 -18.943 -43.981 1.00 0.59 C ATOM 1645 O PRO A 114 35.266 -19.366 -42.966 1.00 0.60 O ATOM 1646 CB PRO A 114 33.683 -16.662 -44.115 1.00 0.54 C ATOM 1647 CG PRO A 114 33.750 -16.105 -42.729 1.00 0.48 C ATOM 1648 CD PRO A 114 32.895 -16.985 -41.858 1.00 0.47 C ATOM 0 HA PRO A 114 32.816 -18.579 -44.729 1.00 0.55 H new ATOM 0 HB2 PRO A 114 34.610 -16.478 -44.658 1.00 0.54 H new ATOM 0 HB3 PRO A 114 32.881 -16.196 -44.688 1.00 0.54 H new ATOM 0 HG2 PRO A 114 34.779 -16.089 -42.369 1.00 0.48 H new ATOM 0 HG3 PRO A 114 33.390 -15.076 -42.709 1.00 0.48 H new ATOM 0 HD2 PRO A 114 33.344 -17.130 -40.875 1.00 0.47 H new ATOM 0 HD3 PRO A 114 31.909 -16.549 -41.697 1.00 0.47 H new ATOM 1656 N LYS A 115 35.288 -19.144 -45.152 1.00 0.69 N ATOM 1657 CA LYS A 115 36.566 -19.903 -45.267 1.00 0.80 C ATOM 1658 C LYS A 115 37.574 -19.123 -46.114 1.00 0.87 C ATOM 1659 O LYS A 115 37.438 -19.022 -47.315 1.00 0.94 O ATOM 1660 CB LYS A 115 36.185 -21.213 -45.957 1.00 0.91 C ATOM 1661 CG LYS A 115 37.444 -22.043 -46.212 1.00 1.09 C ATOM 1662 CD LYS A 115 37.065 -23.522 -46.316 1.00 1.26 C ATOM 1663 CE LYS A 115 37.651 -24.286 -45.126 1.00 1.73 C ATOM 1664 NZ LYS A 115 36.486 -24.571 -44.242 1.00 2.13 N ATOM 0 H LYS A 115 34.898 -18.815 -46.035 1.00 0.69 H new ATOM 0 HA LYS A 115 37.034 -20.072 -44.297 1.00 0.80 H new ATOM 0 HB2 LYS A 115 35.487 -21.774 -45.335 1.00 0.91 H new ATOM 0 HB3 LYS A 115 35.677 -21.005 -46.899 1.00 0.91 H new ATOM 0 HG2 LYS A 115 37.929 -21.715 -47.131 1.00 1.09 H new ATOM 0 HG3 LYS A 115 38.160 -21.896 -45.404 1.00 1.09 H new ATOM 0 HD2 LYS A 115 35.980 -23.630 -46.332 1.00 1.26 H new ATOM 0 HD3 LYS A 115 37.441 -23.940 -47.250 1.00 1.26 H new ATOM 0 HE2 LYS A 115 38.137 -25.207 -45.448 1.00 1.73 H new ATOM 0 HE3 LYS A 115 38.404 -23.693 -44.608 1.00 1.73 H new ATOM 0 HZ1 LYS A 115 36.807 -25.094 -43.402 1.00 2.13 H new ATOM 0 HZ2 LYS A 115 36.048 -23.676 -43.946 1.00 2.13 H new ATOM 0 HZ3 LYS A 115 35.789 -25.143 -44.760 1.00 2.13 H new ATOM 1678 N CYS A 116 38.590 -18.578 -45.502 1.00 0.89 N ATOM 1679 CA CYS A 116 39.604 -17.819 -46.288 1.00 0.98 C ATOM 1680 C CYS A 116 40.323 -18.777 -47.233 1.00 1.10 C ATOM 1681 O CYS A 116 41.282 -19.429 -46.870 1.00 1.23 O ATOM 1682 CB CYS A 116 40.559 -17.244 -45.239 1.00 1.04 C ATOM 1683 SG CYS A 116 41.317 -15.704 -45.828 1.00 1.12 S ATOM 0 H CYS A 116 38.761 -18.625 -44.498 1.00 0.89 H new ATOM 0 HA CYS A 116 39.174 -17.029 -46.903 1.00 0.98 H new ATOM 0 HB2 CYS A 116 40.017 -17.056 -44.312 1.00 1.04 H new ATOM 0 HB3 CYS A 116 41.337 -17.973 -45.011 1.00 1.04 H new ATOM 1688 N VAL A 117 39.852 -18.870 -48.444 1.00 1.12 N ATOM 1689 CA VAL A 117 40.489 -19.793 -49.427 1.00 1.26 C ATOM 1690 C VAL A 117 41.231 -19.019 -50.489 1.00 1.34 C ATOM 1691 O VAL A 117 41.337 -17.813 -50.443 1.00 1.30 O ATOM 1692 CB VAL A 117 39.353 -20.579 -50.081 1.00 1.25 C ATOM 1693 CG1 VAL A 117 39.012 -21.760 -49.201 1.00 1.27 C ATOM 1694 CG2 VAL A 117 38.112 -19.698 -50.255 1.00 1.13 C ATOM 0 H VAL A 117 39.052 -18.346 -48.798 1.00 1.12 H new ATOM 0 HA VAL A 117 41.206 -20.445 -48.928 1.00 1.26 H new ATOM 0 HB VAL A 117 39.674 -20.918 -51.066 1.00 1.25 H new ATOM 0 HG11 VAL A 117 38.202 -22.331 -49.656 1.00 1.27 H new ATOM 0 HG12 VAL A 117 39.889 -22.398 -49.092 1.00 1.27 H new ATOM 0 HG13 VAL A 117 38.699 -21.404 -48.220 1.00 1.27 H new ATOM 0 HG21 VAL A 117 37.316 -20.278 -50.722 1.00 1.13 H new ATOM 0 HG22 VAL A 117 37.778 -19.344 -49.280 1.00 1.13 H new ATOM 0 HG23 VAL A 117 38.357 -18.844 -50.887 1.00 1.13 H new ATOM 1704 N ARG A 118 41.741 -19.713 -51.455 1.00 1.47 N ATOM 1705 CA ARG A 118 42.474 -19.020 -52.533 1.00 1.57 C ATOM 1706 C ARG A 118 41.922 -19.431 -53.901 1.00 1.64 C ATOM 1707 O ARG A 118 42.505 -19.034 -54.897 1.00 2.13 O ATOM 1708 CB ARG A 118 43.938 -19.449 -52.387 1.00 1.75 C ATOM 1709 CG ARG A 118 44.014 -20.918 -51.956 1.00 1.82 C ATOM 1710 CD ARG A 118 45.348 -21.518 -52.405 1.00 2.30 C ATOM 1711 NE ARG A 118 45.122 -21.949 -53.812 1.00 2.83 N ATOM 1712 CZ ARG A 118 46.040 -21.735 -54.714 1.00 3.41 C ATOM 1713 NH1 ARG A 118 47.289 -22.000 -54.447 1.00 3.98 N ATOM 1714 NH2 ARG A 118 45.709 -21.255 -55.881 1.00 3.92 N ATOM 1715 OXT ARG A 118 40.926 -20.134 -53.929 1.00 1.83 O ATOM 0 H ARG A 118 41.682 -20.727 -51.545 1.00 1.47 H new ATOM 0 HA ARG A 118 42.369 -17.937 -52.461 1.00 1.57 H new ATOM 0 HB2 ARG A 118 44.462 -19.312 -53.333 1.00 1.75 H new ATOM 0 HB3 ARG A 118 44.438 -18.819 -51.651 1.00 1.75 H new ATOM 0 HG2 ARG A 118 43.916 -20.995 -50.873 1.00 1.82 H new ATOM 0 HG3 ARG A 118 43.187 -21.478 -52.392 1.00 1.82 H new ATOM 0 HD2 ARG A 118 46.152 -20.785 -52.341 1.00 2.30 H new ATOM 0 HD3 ARG A 118 45.634 -22.360 -51.775 1.00 2.30 H new ATOM 0 HE ARG A 118 44.250 -22.411 -54.071 1.00 2.83 H new ATOM 0 HH11 ARG A 118 47.547 -22.374 -53.534 1.00 3.98 H new ATOM 0 HH12 ARG A 118 48.008 -21.833 -55.151 1.00 3.98 H new ATOM 0 HH21 ARG A 118 44.732 -21.047 -56.088 1.00 3.92 H new ATOM 0 HH22 ARG A 118 46.427 -21.088 -56.586 1.00 3.92 H new TER 1729 ARG A 118 CONECT 46 633 CONECT 447 772 CONECT 633 46 CONECT 772 447 CONECT 856 1483 CONECT 1285 1683 CONECT 1483 856 CONECT 1683 1285 END