USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) HEADER CELL ADHESION 27-OCT-06 2NPL TITLE NMR STRUCTURE OF CARD D2 DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR; COMPND 3 CHAIN: X; COMPND 4 FRAGMENT: DOMAIN CAR 2; COMPND 5 SYNONYM: COXSACKIEVIRUS B- ADENOVIRUS RECEPTOR; HCAR; CVB3- COMPND 6 BINDING PROTEIN; HCVADR; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CXADR, CAR; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS COXSAKIEVIRUS AND ADENOVIRUS RECEPTOR, CELL ADHESION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.JIANG,M.CAFFREY REVDAT 2 24-FEB-09 2NPL 1 VERSN REVDAT 1 13-MAR-07 2NPL 0 JRNL AUTH S.JIANG,M.CAFFREY JRNL TITL SOLUTION STRUCTURE OF THE COXSACKIEVIRUS AND JRNL TITL 2 ADENOVIRUS RECEPTOR DOMAIN 2 JRNL REF PROTEIN SCI. V. 16 539 2007 JRNL REFN ISSN 0961-8368 JRNL PMID 17322536 JRNL DOI 10.1110/PS.062643507 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER, ET AL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE IS BASED ON THE AVERAGE REMARK 3 STRUCTURE OF THE 30 LOWEST ENERGY STRUCTURES WITH 488 DISTANCE REMARK 3 RESTRAINTS, 234 DIHEDRAL RESTRAINTS AND 47 HODROGEN BOND REMARK 3 RESTRAINTS. REMARK 4 REMARK 4 2NPL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-NOV-06. REMARK 100 THE RCSB ID CODE IS RCSB040147. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 2D REMARK 210 NOESY, HNHA, 3D_13C-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX, AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1 REMARK 210 METHOD USED : SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE X 19 CB - CG - CD2 ANGL. DEV. = 14.0 DEGREES REMARK 500 PHE X 19 CD1 - CG - CD2 ANGL. DEV. = -63.0 DEGREES REMARK 500 PHE X 19 CB - CG - CD1 ANGL. DEV. = -6.6 DEGREES REMARK 500 PHE X 19 CG - CD1 - CE1 ANGL. DEV. = -42.0 DEGREES REMARK 500 PHE X 19 CG - CD2 - CE2 ANGL. DEV. = -41.1 DEGREES REMARK 500 PHE X 19 CD1 - CE1 - CZ ANGL. DEV. = -41.0 DEGREES REMARK 500 PHE X 19 CE1 - CZ - CE2 ANGL. DEV. = -74.5 DEGREES REMARK 500 PHE X 19 CZ - CE2 - CD2 ANGL. DEV. = -43.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 ILE X 15 96.76 -58.62 REMARK 500 LYS X 20 136.86 -176.00 REMARK 500 LEU X 32 -60.70 -98.68 REMARK 500 GLN X 43 -12.09 -34.56 REMARK 500 MET X 45 74.25 -153.06 REMARK 500 SER X 55 -72.44 -108.02 REMARK 500 SER X 56 -44.78 94.32 REMARK 500 VAL X 79 55.98 -106.20 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 PHE X 19 0.46 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RSF RELATED DB: PDB REMARK 900 NMR STRUCTURE OF MONOMERIC CAR D1 DOMAIN DBREF 2NPL X 3 96 UNP P78310 CXAR_HUMAN 142 235 SEQADV 2NPL GLY X 1 UNP P78310 CLONING ARTIFACT SEQADV 2NPL SER X 2 UNP P78310 CLONING ARTIFACT SEQRES 1 X 96 GLY SER SER GLY ALA ARG CYS TYR VAL ASP GLY SER GLU SEQRES 2 X 96 GLU ILE GLY SER ASP PHE LYS ILE LYS CYS GLU PRO LYS SEQRES 3 X 96 GLU GLY SER LEU PRO LEU GLN TYR GLU TRP GLN LYS LEU SEQRES 4 X 96 SER ASP SER GLN LYS MET PRO THR SER TRP LEU ALA GLU SEQRES 5 X 96 MET THR SER SER VAL ILE SER VAL LYS ASN ALA SER SER SEQRES 6 X 96 GLU TYR SER GLY THR TYR SER CYS THR VAL ARG ASN ARG SEQRES 7 X 96 VAL GLY SER ASP GLN CYS LEU LEU ARG LEU ASN VAL VAL SEQRES 8 X 96 PRO PRO SER ASN LYS HELIX 1 1 MET X 45 THR X 54 1 10 SHEET 1 A 3 ARG X 6 VAL X 9 0 SHEET 2 A 3 SER X 17 GLU X 24 -1 O LYS X 22 N TYR X 8 SHEET 3 A 3 ILE X 58 ASN X 62 -1 O ILE X 58 N ILE X 21 SHEET 1 B 3 GLN X 33 LEU X 39 0 SHEET 2 B 3 GLY X 69 ARG X 76 -1 O ARG X 76 N GLN X 33 SHEET 3 B 3 ASP X 82 LEU X 88 -1 O ASP X 82 N VAL X 75 SSBOND *** CYS X 7 CYS X 84 1555 1555 2.03 SSBOND *** CYS X 23 CYS X 73 1555 1555 2.03 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: X 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: X 89 ASN : amide:sc= -2.74! C(o=-2.7!,f=-9.9!) USER MOD Set 2.1: X 45 MET CE :methyl -152:sc= -0.112 (180deg=-0.506) USER MOD Set 2.2: X 48 SER OG : rot -100:sc= -1.81 USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 3 SER OG : rot 180:sc= 0 USER MOD Single : X 8 TYR OH : rot 30:sc= -1.01 USER MOD Single : X 12 SER OG : rot 180:sc= 0 USER MOD Single : X 17 SER OG : rot -143:sc= -0.805 USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 LYS NZ :NH3+ 156:sc= -0.0351 (180deg=-0.305) USER MOD Single : X 29 SER OG : rot 180:sc= 0 USER MOD Single : X 33 GLN : amide:sc= -0.0435 K(o=-0.043,f=-1) USER MOD Single : X 34 TYR OH : rot 152:sc= -1.03 USER MOD Single : X 37 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : X 38 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.571) USER MOD Single : X 40 SER OG : rot -150:sc= 0 USER MOD Single : X 42 SER OG : rot 170:sc= 0 USER MOD Single : X 43 GLN :FLIP amide:sc= -1.11 F(o=-1.9!,f=-1.1) USER MOD Single : X 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0177) USER MOD Single : X 47 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : X 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 54 THR OG1 : rot 39:sc= 0.839 USER MOD Single : X 55 SER OG : rot 162:sc= 0.0749 USER MOD Single : X 56 SER OG : rot 95:sc= 0.246 USER MOD Single : X 59 SER OG : rot 180:sc= 0 USER MOD Single : X 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 ASN : amide:sc= -14.9! C(o=-15!,f=-18!) USER MOD Single : X 64 SER OG : rot 102:sc= 1.38 USER MOD Single : X 65 SER OG : rot 180:sc= 0.0749 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 70 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : X 71 TYR OH : rot 180:sc= 0 USER MOD Single : X 72 SER OG : rot -23:sc= 1.27 USER MOD Single : X 74 THR OG1 : rot 89:sc= 1.19 USER MOD Single : X 77 ASN : amide:sc= -4.39 K(o=-4.4,f=-11!) USER MOD Single : X 81 SER OG : rot 44:sc= 0.0784 USER MOD Single : X 83 GLN : amide:sc= -0.184 K(o=-0.18,f=-2!) USER MOD Single : X 94 SER OG : rot 180:sc= 0 USER MOD Single : X 95 ASN : amide:sc= -0.438 K(o=-0.44,f=-3.6!) USER MOD Single : X 96 LYS NZ :NH3+ 157:sc= -0.0118 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 1.440 18.946 -6.591 1.00 7.77 N ATOM 2 CA GLY X 1 1.684 17.713 -7.388 1.00 7.23 C ATOM 3 C GLY X 1 0.399 17.012 -7.782 1.00 6.26 C ATOM 4 O GLY X 1 -0.447 17.588 -8.466 1.00 6.27 O ATOM 0 H1 GLY X 1 2.350 19.387 -6.347 1.00 7.77 H new ATOM 0 H2 GLY X 1 0.870 19.613 -7.149 1.00 7.77 H new ATOM 0 H3 GLY X 1 0.930 18.700 -5.719 1.00 7.77 H new ATOM 0 HA2 GLY X 1 2.244 17.970 -8.287 1.00 7.23 H new ATOM 0 HA3 GLY X 1 2.305 17.028 -6.811 1.00 7.23 H new ATOM 10 N SER X 2 0.255 15.763 -7.352 1.00 5.61 N ATOM 11 CA SER X 2 -0.934 14.978 -7.666 1.00 4.86 C ATOM 12 C SER X 2 -2.193 15.646 -7.124 1.00 3.62 C ATOM 13 O SER X 2 -2.196 16.181 -6.015 1.00 3.45 O ATOM 14 CB SER X 2 -0.807 13.569 -7.087 1.00 5.40 C ATOM 15 OG SER X 2 0.320 12.897 -7.620 1.00 6.03 O ATOM 0 H SER X 2 0.947 15.272 -6.785 1.00 5.61 H new ATOM 0 HA SER X 2 -1.017 14.916 -8.751 1.00 4.86 H new ATOM 0 HB2 SER X 2 -0.721 13.625 -6.002 1.00 5.40 H new ATOM 0 HB3 SER X 2 -1.710 13.000 -7.306 1.00 5.40 H new ATOM 0 HG SER X 2 0.379 11.999 -7.232 1.00 6.03 H new ATOM 21 N SER X 3 -3.262 15.604 -7.912 1.00 3.05 N ATOM 22 CA SER X 3 -4.531 16.198 -7.510 1.00 2.02 C ATOM 23 C SER X 3 -5.612 15.132 -7.386 1.00 2.03 C ATOM 24 O SER X 3 -6.096 14.601 -8.385 1.00 2.94 O ATOM 25 CB SER X 3 -4.963 17.259 -8.524 1.00 2.10 C ATOM 26 OG SER X 3 -3.911 18.169 -8.791 1.00 2.45 O ATOM 0 H SER X 3 -3.275 15.165 -8.833 1.00 3.05 H new ATOM 0 HA SER X 3 -4.393 16.668 -6.536 1.00 2.02 H new ATOM 0 HB2 SER X 3 -5.274 16.776 -9.450 1.00 2.10 H new ATOM 0 HB3 SER X 3 -5.828 17.801 -8.142 1.00 2.10 H new ATOM 0 HG SER X 3 -4.213 18.835 -9.443 1.00 2.45 H new ATOM 32 N GLY X 4 -6.003 14.847 -6.152 1.00 1.60 N ATOM 33 CA GLY X 4 -7.044 13.873 -5.904 1.00 2.28 C ATOM 34 C GLY X 4 -6.539 12.509 -5.499 1.00 2.00 C ATOM 35 O GLY X 4 -7.208 11.806 -4.739 1.00 2.33 O ATOM 0 H GLY X 4 -5.614 15.277 -5.313 1.00 1.60 H new ATOM 0 HA2 GLY X 4 -7.700 14.252 -5.120 1.00 2.28 H new ATOM 0 HA3 GLY X 4 -7.650 13.770 -6.804 1.00 2.28 H new ATOM 39 N ALA X 5 -5.362 12.130 -5.971 1.00 1.50 N ATOM 40 CA ALA X 5 -4.810 10.831 -5.620 1.00 1.27 C ATOM 41 C ALA X 5 -3.350 10.914 -5.218 1.00 1.04 C ATOM 42 O ALA X 5 -2.520 11.467 -5.938 1.00 1.06 O ATOM 43 CB ALA X 5 -4.981 9.854 -6.771 1.00 1.36 C ATOM 0 H ALA X 5 -4.778 12.693 -6.589 1.00 1.50 H new ATOM 0 HA ALA X 5 -5.365 10.471 -4.754 1.00 1.27 H new ATOM 0 HB1 ALA X 5 -4.563 8.887 -6.492 1.00 1.36 H new ATOM 0 HB2 ALA X 5 -6.041 9.740 -6.997 1.00 1.36 H new ATOM 0 HB3 ALA X 5 -4.462 10.234 -7.651 1.00 1.36 H new ATOM 49 N ARG X 6 -3.045 10.322 -4.078 1.00 0.99 N ATOM 50 CA ARG X 6 -1.685 10.277 -3.576 1.00 0.98 C ATOM 51 C ARG X 6 -1.320 8.822 -3.333 1.00 0.79 C ATOM 52 O ARG X 6 -1.899 8.176 -2.464 1.00 0.83 O ATOM 53 CB ARG X 6 -1.571 11.093 -2.286 1.00 1.39 C ATOM 54 CG ARG X 6 -0.314 11.943 -2.211 1.00 1.60 C ATOM 55 CD ARG X 6 -0.571 13.249 -1.476 1.00 2.03 C ATOM 56 NE ARG X 6 0.550 13.631 -0.620 1.00 2.51 N ATOM 57 CZ ARG X 6 0.753 14.867 -0.163 1.00 3.02 C ATOM 58 NH1 ARG X 6 -0.080 15.853 -0.483 1.00 3.31 N ATOM 59 NH2 ARG X 6 1.795 15.119 0.616 1.00 3.73 N ATOM 0 H ARG X 6 -3.729 9.861 -3.477 1.00 0.99 H new ATOM 0 HA ARG X 6 -0.997 10.711 -4.301 1.00 0.98 H new ATOM 0 HB2 ARG X 6 -2.443 11.741 -2.198 1.00 1.39 H new ATOM 0 HB3 ARG X 6 -1.591 10.414 -1.434 1.00 1.39 H new ATOM 0 HG2 ARG X 6 0.474 11.387 -1.703 1.00 1.60 H new ATOM 0 HG3 ARG X 6 0.044 12.155 -3.218 1.00 1.60 H new ATOM 0 HD2 ARG X 6 -0.759 14.041 -2.201 1.00 2.03 H new ATOM 0 HD3 ARG X 6 -1.472 13.152 -0.870 1.00 2.03 H new ATOM 0 HE ARG X 6 1.219 12.907 -0.356 1.00 2.51 H new ATOM 0 HH11 ARG X 6 -0.883 15.667 -1.083 1.00 3.31 H new ATOM 0 HH12 ARG X 6 0.084 16.795 -0.128 1.00 3.31 H new ATOM 0 HH21 ARG X 6 2.439 14.368 0.865 1.00 3.73 H new ATOM 0 HH22 ARG X 6 1.953 16.064 0.967 1.00 3.73 H new ATOM 73 N CYS X 7 -0.394 8.292 -4.122 1.00 0.73 N ATOM 74 CA CYS X 7 -0.014 6.891 -3.986 1.00 0.66 C ATOM 75 C CYS X 7 1.489 6.692 -4.148 1.00 0.75 C ATOM 76 O CYS X 7 2.093 7.150 -5.118 1.00 0.97 O ATOM 77 CB CYS X 7 -0.783 6.049 -5.011 1.00 0.86 C ATOM 78 SG CYS X 7 -2.551 6.490 -5.154 1.00 1.15 S ATOM 0 H CYS X 7 0.102 8.802 -4.853 1.00 0.73 H new ATOM 0 HA CYS X 7 -0.273 6.565 -2.979 1.00 0.66 H new ATOM 0 HB2 CYS X 7 -0.310 6.161 -5.987 1.00 0.86 H new ATOM 0 HB3 CYS X 7 -0.702 4.997 -4.737 1.00 0.86 H new ATOM 83 N TYR X 8 2.079 5.995 -3.183 1.00 0.68 N ATOM 84 CA TYR X 8 3.505 5.707 -3.187 1.00 0.86 C ATOM 85 C TYR X 8 3.824 4.709 -2.083 1.00 0.74 C ATOM 86 O TYR X 8 3.002 4.485 -1.193 1.00 0.71 O ATOM 87 CB TYR X 8 4.313 6.992 -3.010 1.00 1.09 C ATOM 88 CG TYR X 8 3.911 7.801 -1.800 1.00 1.12 C ATOM 89 CD1 TYR X 8 2.758 8.618 -1.828 1.00 1.60 C ATOM 90 CD2 TYR X 8 4.681 7.768 -0.617 1.00 1.70 C ATOM 91 CE1 TYR X 8 2.384 9.380 -0.708 1.00 1.74 C ATOM 92 CE2 TYR X 8 4.313 8.526 0.507 1.00 1.86 C ATOM 93 CZ TYR X 8 3.163 9.330 0.456 1.00 1.50 C ATOM 94 OH TYR X 8 2.798 10.076 1.554 1.00 1.78 O ATOM 0 H TYR X 8 1.581 5.615 -2.378 1.00 0.68 H new ATOM 0 HA TYR X 8 3.780 5.271 -4.147 1.00 0.86 H new ATOM 0 HB2 TYR X 8 5.370 6.738 -2.931 1.00 1.09 H new ATOM 0 HB3 TYR X 8 4.199 7.608 -3.902 1.00 1.09 H new ATOM 0 HD1 TYR X 8 2.155 8.657 -2.723 1.00 1.60 H new ATOM 0 HD2 TYR X 8 5.566 7.151 -0.576 1.00 1.70 H new ATOM 0 HE1 TYR X 8 1.501 10.001 -0.744 1.00 1.74 H new ATOM 0 HE2 TYR X 8 4.911 8.491 1.405 1.00 1.86 H new ATOM 0 HH TYR X 8 1.824 10.182 1.569 1.00 1.78 H new ATOM 104 N VAL X 9 5.001 4.101 -2.137 1.00 0.71 N ATOM 105 CA VAL X 9 5.377 3.123 -1.125 1.00 0.64 C ATOM 106 C VAL X 9 6.827 3.278 -0.676 1.00 0.69 C ATOM 107 O VAL X 9 7.723 3.512 -1.487 1.00 0.83 O ATOM 108 CB VAL X 9 5.158 1.687 -1.634 1.00 0.76 C ATOM 109 CG1 VAL X 9 5.392 0.679 -0.517 1.00 0.78 C ATOM 110 CG2 VAL X 9 3.759 1.539 -2.216 1.00 0.87 C ATOM 0 H VAL X 9 5.703 4.264 -2.859 1.00 0.71 H new ATOM 0 HA VAL X 9 4.732 3.311 -0.267 1.00 0.64 H new ATOM 0 HB VAL X 9 5.880 1.486 -2.425 1.00 0.76 H new ATOM 0 HG11 VAL X 9 5.232 -0.330 -0.898 1.00 0.78 H new ATOM 0 HG12 VAL X 9 6.415 0.771 -0.152 1.00 0.78 H new ATOM 0 HG13 VAL X 9 4.697 0.873 0.300 1.00 0.78 H new ATOM 0 HG21 VAL X 9 3.619 0.518 -2.572 1.00 0.87 H new ATOM 0 HG22 VAL X 9 3.019 1.760 -1.446 1.00 0.87 H new ATOM 0 HG23 VAL X 9 3.635 2.233 -3.047 1.00 0.87 H new ATOM 120 N ASP X 10 7.043 3.117 0.626 1.00 0.68 N ATOM 121 CA ASP X 10 8.375 3.208 1.206 1.00 0.85 C ATOM 122 C ASP X 10 8.715 1.920 1.950 1.00 0.89 C ATOM 123 O ASP X 10 8.326 1.736 3.101 1.00 0.97 O ATOM 124 CB ASP X 10 8.460 4.398 2.163 1.00 0.98 C ATOM 125 CG ASP X 10 8.466 5.727 1.434 1.00 1.04 C ATOM 126 OD1 ASP X 10 9.513 6.078 0.850 1.00 1.56 O ATOM 127 OD2 ASP X 10 7.424 6.415 1.444 1.00 1.51 O ATOM 0 H ASP X 10 6.305 2.921 1.302 1.00 0.68 H new ATOM 0 HA ASP X 10 9.093 3.353 0.399 1.00 0.85 H new ATOM 0 HB2 ASP X 10 7.615 4.368 2.851 1.00 0.98 H new ATOM 0 HB3 ASP X 10 9.365 4.313 2.765 1.00 0.98 H new ATOM 132 N GLY X 11 9.440 1.031 1.284 1.00 0.86 N ATOM 133 CA GLY X 11 9.817 -0.227 1.900 1.00 0.92 C ATOM 134 C GLY X 11 11.107 -0.774 1.331 1.00 0.76 C ATOM 135 O GLY X 11 11.190 -1.058 0.136 1.00 0.75 O ATOM 0 H GLY X 11 9.774 1.158 0.329 1.00 0.86 H new ATOM 0 HA2 GLY X 11 9.927 -0.085 2.975 1.00 0.92 H new ATOM 0 HA3 GLY X 11 9.019 -0.955 1.754 1.00 0.92 H new ATOM 139 N SER X 12 12.120 -0.925 2.178 1.00 0.71 N ATOM 140 CA SER X 12 13.403 -1.443 1.726 1.00 0.61 C ATOM 141 C SER X 12 13.539 -2.914 2.082 1.00 0.74 C ATOM 142 O SER X 12 13.458 -3.272 3.259 1.00 0.85 O ATOM 143 CB SER X 12 14.553 -0.644 2.339 1.00 0.63 C ATOM 144 OG SER X 12 14.133 0.660 2.699 1.00 1.43 O ATOM 0 H SER X 12 12.077 -0.698 3.172 1.00 0.71 H new ATOM 0 HA SER X 12 13.448 -1.340 0.642 1.00 0.61 H new ATOM 0 HB2 SER X 12 14.932 -1.163 3.219 1.00 0.63 H new ATOM 0 HB3 SER X 12 15.376 -0.581 1.627 1.00 0.63 H new ATOM 0 HG SER X 12 14.886 1.150 3.090 1.00 1.43 H new ATOM 150 N GLU X 13 13.683 -3.734 1.024 1.00 0.87 N ATOM 151 CA GLU X 13 13.772 -5.196 1.099 1.00 1.21 C ATOM 152 C GLU X 13 14.991 -5.727 1.869 1.00 0.96 C ATOM 153 O GLU X 13 16.092 -5.775 1.322 1.00 1.27 O ATOM 154 CB GLU X 13 13.844 -5.839 -0.324 1.00 2.03 C ATOM 155 CG GLU X 13 13.461 -4.956 -1.516 1.00 2.56 C ATOM 156 CD GLU X 13 14.646 -4.183 -2.060 1.00 2.89 C ATOM 157 OE1 GLU X 13 15.445 -4.774 -2.817 1.00 3.29 O ATOM 158 OE2 GLU X 13 14.775 -2.985 -1.729 1.00 3.22 O ATOM 0 H GLU X 13 13.742 -3.383 0.068 1.00 0.87 H new ATOM 0 HA GLU X 13 12.865 -5.475 1.635 1.00 1.21 H new ATOM 0 HB2 GLU X 13 14.862 -6.195 -0.482 1.00 2.03 H new ATOM 0 HB3 GLU X 13 13.195 -6.715 -0.331 1.00 2.03 H new ATOM 0 HG2 GLU X 13 13.041 -5.578 -2.307 1.00 2.56 H new ATOM 0 HG3 GLU X 13 12.682 -4.257 -1.213 1.00 2.56 H new ATOM 165 N GLU X 14 14.778 -6.212 3.092 1.00 0.67 N ATOM 166 CA GLU X 14 15.866 -6.836 3.863 1.00 0.74 C ATOM 167 C GLU X 14 15.292 -7.736 4.965 1.00 0.61 C ATOM 168 O GLU X 14 14.262 -7.420 5.560 1.00 0.61 O ATOM 169 CB GLU X 14 16.818 -5.801 4.490 1.00 0.97 C ATOM 170 CG GLU X 14 17.208 -4.661 3.561 1.00 1.24 C ATOM 171 CD GLU X 14 18.146 -3.664 4.216 1.00 1.64 C ATOM 172 OE1 GLU X 14 18.662 -3.963 5.314 1.00 1.97 O ATOM 173 OE2 GLU X 14 18.368 -2.586 3.627 1.00 2.32 O ATOM 0 H GLU X 14 13.877 -6.188 3.570 1.00 0.67 H new ATOM 0 HA GLU X 14 16.445 -7.433 3.158 1.00 0.74 H new ATOM 0 HB2 GLU X 14 16.346 -5.383 5.379 1.00 0.97 H new ATOM 0 HB3 GLU X 14 17.723 -6.311 4.819 1.00 0.97 H new ATOM 0 HG2 GLU X 14 17.685 -5.071 2.671 1.00 1.24 H new ATOM 0 HG3 GLU X 14 16.308 -4.143 3.231 1.00 1.24 H new ATOM 180 N ILE X 15 15.967 -8.844 5.277 1.00 0.63 N ATOM 181 CA ILE X 15 15.498 -9.719 6.363 1.00 0.69 C ATOM 182 C ILE X 15 15.443 -8.889 7.654 1.00 0.74 C ATOM 183 O ILE X 15 16.462 -8.676 8.311 1.00 0.82 O ATOM 184 CB ILE X 15 16.424 -10.955 6.557 1.00 0.85 C ATOM 185 CG1 ILE X 15 16.282 -11.913 5.377 1.00 0.92 C ATOM 186 CG2 ILE X 15 16.115 -11.697 7.857 1.00 0.99 C ATOM 187 CD1 ILE X 15 17.452 -12.859 5.225 1.00 1.21 C ATOM 0 H ILE X 15 16.819 -9.155 4.810 1.00 0.63 H new ATOM 0 HA ILE X 15 14.510 -10.103 6.107 1.00 0.69 H new ATOM 0 HB ILE X 15 17.449 -10.588 6.611 1.00 0.85 H new ATOM 0 HG12 ILE X 15 15.368 -12.494 5.499 1.00 0.92 H new ATOM 0 HG13 ILE X 15 16.171 -11.334 4.460 1.00 0.92 H new ATOM 0 HG21 ILE X 15 16.783 -12.553 7.955 1.00 0.99 H new ATOM 0 HG22 ILE X 15 16.260 -11.025 8.703 1.00 0.99 H new ATOM 0 HG23 ILE X 15 15.082 -12.043 7.842 1.00 0.99 H new ATOM 0 HD11 ILE X 15 17.284 -13.510 4.367 1.00 1.21 H new ATOM 0 HD12 ILE X 15 18.366 -12.285 5.072 1.00 1.21 H new ATOM 0 HD13 ILE X 15 17.550 -13.464 6.126 1.00 1.21 H new ATOM 199 N GLY X 16 14.255 -8.384 7.975 1.00 0.74 N ATOM 200 CA GLY X 16 14.107 -7.534 9.147 1.00 0.81 C ATOM 201 C GLY X 16 14.346 -6.077 8.789 1.00 0.82 C ATOM 202 O GLY X 16 14.939 -5.319 9.557 1.00 1.00 O ATOM 0 H GLY X 16 13.396 -8.546 7.449 1.00 0.74 H new ATOM 0 HA2 GLY X 16 13.107 -7.652 9.563 1.00 0.81 H new ATOM 0 HA3 GLY X 16 14.812 -7.844 9.918 1.00 0.81 H new ATOM 206 N SER X 17 13.896 -5.710 7.592 1.00 0.79 N ATOM 207 CA SER X 17 14.056 -4.350 7.050 1.00 0.90 C ATOM 208 C SER X 17 12.901 -3.425 7.443 1.00 0.77 C ATOM 209 O SER X 17 12.120 -3.741 8.344 1.00 0.74 O ATOM 210 CB SER X 17 14.182 -4.385 5.545 1.00 1.12 C ATOM 211 OG SER X 17 15.164 -3.469 5.084 1.00 1.72 O ATOM 0 H SER X 17 13.407 -6.346 6.962 1.00 0.79 H new ATOM 0 HA SER X 17 14.971 -3.948 7.486 1.00 0.90 H new ATOM 0 HB2 SER X 17 14.444 -5.393 5.224 1.00 1.12 H new ATOM 0 HB3 SER X 17 13.219 -4.147 5.093 1.00 1.12 H new ATOM 0 HG SER X 17 14.870 -3.074 4.237 1.00 1.72 H new ATOM 217 N ASP X 18 12.803 -2.270 6.766 1.00 0.77 N ATOM 218 CA ASP X 18 11.743 -1.307 7.086 1.00 0.72 C ATOM 219 C ASP X 18 10.724 -1.158 5.953 1.00 0.67 C ATOM 220 O ASP X 18 11.088 -0.965 4.792 1.00 0.68 O ATOM 221 CB ASP X 18 12.360 0.054 7.414 1.00 0.86 C ATOM 222 CG ASP X 18 11.389 0.978 8.121 1.00 0.90 C ATOM 223 OD1 ASP X 18 10.168 0.736 8.035 1.00 1.45 O ATOM 224 OD2 ASP X 18 11.853 1.944 8.764 1.00 1.43 O ATOM 0 H ASP X 18 13.429 -1.986 6.012 1.00 0.77 H new ATOM 0 HA ASP X 18 11.207 -1.693 7.953 1.00 0.72 H new ATOM 0 HB2 ASP X 18 13.240 -0.091 8.041 1.00 0.86 H new ATOM 0 HB3 ASP X 18 12.700 0.526 6.492 1.00 0.86 H new ATOM 229 N PHE X 19 9.440 -1.261 6.311 1.00 0.66 N ATOM 230 CA PHE X 19 8.338 -1.155 5.358 1.00 0.68 C ATOM 231 C PHE X 19 7.458 0.054 5.667 1.00 0.68 C ATOM 232 O PHE X 19 7.427 0.542 6.796 1.00 0.70 O ATOM 233 CB PHE X 19 7.482 -2.409 5.453 1.00 0.75 C ATOM 234 CG PHE X 19 7.646 -3.435 4.377 1.00 0.82 C ATOM 235 CD1 PHE X 19 6.480 -3.636 3.578 1.00 1.48 C ATOM 236 CD2 PHE X 19 7.072 -4.678 4.109 1.00 1.51 C ATOM 237 CE1 PHE X 19 7.279 -4.849 3.236 1.00 1.59 C ATOM 238 CE2 PHE X 19 6.810 -3.973 2.806 1.00 1.66 C ATOM 239 CZ PHE X 19 8.200 -3.839 2.960 1.00 1.22 C ATOM 0 H PHE X 19 9.138 -1.420 7.272 1.00 0.66 H new ATOM 0 HA PHE X 19 8.757 -1.040 4.358 1.00 0.68 H new ATOM 0 HB2 PHE X 19 7.690 -2.888 6.410 1.00 0.75 H new ATOM 0 HB3 PHE X 19 6.436 -2.103 5.470 1.00 0.75 H new ATOM 0 HD1 PHE X 19 5.535 -3.166 3.347 1.00 1.48 H new ATOM 0 HD2 PHE X 19 6.905 -5.634 4.583 1.00 1.51 H new ATOM 0 HE1 PHE X 19 7.191 -5.925 3.214 1.00 1.59 H new ATOM 0 HE2 PHE X 19 6.006 -3.715 2.132 1.00 1.66 H new ATOM 0 HZ PHE X 19 9.166 -3.359 2.908 1.00 1.22 H new ATOM 249 N LYS X 20 6.716 0.500 4.664 1.00 0.72 N ATOM 250 CA LYS X 20 5.803 1.628 4.825 1.00 0.74 C ATOM 251 C LYS X 20 5.005 1.867 3.547 1.00 0.72 C ATOM 252 O LYS X 20 5.555 1.832 2.450 1.00 0.85 O ATOM 253 CB LYS X 20 6.569 2.900 5.212 1.00 0.86 C ATOM 254 CG LYS X 20 6.514 3.217 6.698 1.00 0.93 C ATOM 255 CD LYS X 20 6.597 4.716 6.948 1.00 1.29 C ATOM 256 CE LYS X 20 7.468 5.037 8.153 1.00 1.53 C ATOM 257 NZ LYS X 20 8.372 6.190 7.889 1.00 2.03 N ATOM 0 H LYS X 20 6.727 0.098 3.726 1.00 0.72 H new ATOM 0 HA LYS X 20 5.109 1.382 5.628 1.00 0.74 H new ATOM 0 HB2 LYS X 20 7.611 2.792 4.911 1.00 0.86 H new ATOM 0 HB3 LYS X 20 6.161 3.743 4.654 1.00 0.86 H new ATOM 0 HG2 LYS X 20 5.589 2.826 7.121 1.00 0.93 H new ATOM 0 HG3 LYS X 20 7.335 2.715 7.210 1.00 0.93 H new ATOM 0 HD2 LYS X 20 7.001 5.211 6.065 1.00 1.29 H new ATOM 0 HD3 LYS X 20 5.595 5.115 7.106 1.00 1.29 H new ATOM 0 HE2 LYS X 20 6.834 5.261 9.011 1.00 1.53 H new ATOM 0 HE3 LYS X 20 8.062 4.162 8.416 1.00 1.53 H new ATOM 0 HZ1 LYS X 20 8.950 6.379 8.733 1.00 2.03 H new ATOM 0 HZ2 LYS X 20 8.994 5.966 7.086 1.00 2.03 H new ATOM 0 HZ3 LYS X 20 7.804 7.032 7.663 1.00 2.03 H new ATOM 271 N ILE X 21 3.711 2.119 3.698 1.00 0.63 N ATOM 272 CA ILE X 21 2.841 2.375 2.550 1.00 0.63 C ATOM 273 C ILE X 21 2.000 3.619 2.799 1.00 0.60 C ATOM 274 O ILE X 21 1.587 3.873 3.925 1.00 0.63 O ATOM 275 CB ILE X 21 1.883 1.199 2.258 1.00 0.66 C ATOM 276 CG1 ILE X 21 2.536 -0.152 2.571 1.00 0.76 C ATOM 277 CG2 ILE X 21 1.440 1.242 0.803 1.00 0.75 C ATOM 278 CD1 ILE X 21 1.553 -1.302 2.596 1.00 1.11 C ATOM 0 H ILE X 21 3.238 2.152 4.601 1.00 0.63 H new ATOM 0 HA ILE X 21 3.496 2.510 1.689 1.00 0.63 H new ATOM 0 HB ILE X 21 1.013 1.305 2.907 1.00 0.66 H new ATOM 0 HG12 ILE X 21 3.305 -0.357 1.826 1.00 0.76 H new ATOM 0 HG13 ILE X 21 3.037 -0.090 3.537 1.00 0.76 H new ATOM 0 HG21 ILE X 21 0.765 0.410 0.604 1.00 0.75 H new ATOM 0 HG22 ILE X 21 0.925 2.182 0.607 1.00 0.75 H new ATOM 0 HG23 ILE X 21 2.313 1.164 0.155 1.00 0.75 H new ATOM 0 HD11 ILE X 21 2.082 -2.228 2.823 1.00 1.11 H new ATOM 0 HD12 ILE X 21 0.798 -1.119 3.360 1.00 1.11 H new ATOM 0 HD13 ILE X 21 1.070 -1.389 1.623 1.00 1.11 H new ATOM 290 N LYS X 22 1.742 4.396 1.754 1.00 0.59 N ATOM 291 CA LYS X 22 0.939 5.606 1.906 1.00 0.60 C ATOM 292 C LYS X 22 -0.019 5.803 0.736 1.00 0.55 C ATOM 293 O LYS X 22 0.386 5.770 -0.426 1.00 0.53 O ATOM 294 CB LYS X 22 1.841 6.830 2.059 1.00 0.68 C ATOM 295 CG LYS X 22 2.756 6.744 3.268 1.00 1.11 C ATOM 296 CD LYS X 22 3.188 8.120 3.749 1.00 1.12 C ATOM 297 CE LYS X 22 4.080 8.033 4.980 1.00 1.73 C ATOM 298 NZ LYS X 22 5.426 8.617 4.732 1.00 2.28 N ATOM 0 H LYS X 22 2.071 4.215 0.805 1.00 0.59 H new ATOM 0 HA LYS X 22 0.340 5.487 2.809 1.00 0.60 H new ATOM 0 HB2 LYS X 22 2.446 6.944 1.159 1.00 0.68 H new ATOM 0 HB3 LYS X 22 1.222 7.723 2.141 1.00 0.68 H new ATOM 0 HG2 LYS X 22 2.243 6.221 4.075 1.00 1.11 H new ATOM 0 HG3 LYS X 22 3.637 6.154 3.016 1.00 1.11 H new ATOM 0 HD2 LYS X 22 3.721 8.634 2.949 1.00 1.12 H new ATOM 0 HD3 LYS X 22 2.306 8.718 3.980 1.00 1.12 H new ATOM 0 HE2 LYS X 22 3.605 8.555 5.810 1.00 1.73 H new ATOM 0 HE3 LYS X 22 4.186 6.990 5.279 1.00 1.73 H new ATOM 0 HZ1 LYS X 22 6.003 8.538 5.594 1.00 2.28 H new ATOM 0 HZ2 LYS X 22 5.890 8.102 3.957 1.00 2.28 H new ATOM 0 HZ3 LYS X 22 5.327 9.619 4.472 1.00 2.28 H new ATOM 312 N CYS X 23 -1.293 6.023 1.056 1.00 0.56 N ATOM 313 CA CYS X 23 -2.310 6.244 0.033 1.00 0.55 C ATOM 314 C CYS X 23 -3.451 7.105 0.566 1.00 0.61 C ATOM 315 O CYS X 23 -4.221 6.660 1.424 1.00 0.61 O ATOM 316 CB CYS X 23 -2.861 4.918 -0.481 1.00 0.56 C ATOM 317 SG CYS X 23 -3.674 5.046 -2.105 1.00 0.78 S ATOM 0 H CYS X 23 -1.644 6.053 2.013 1.00 0.56 H new ATOM 0 HA CYS X 23 -1.833 6.772 -0.792 1.00 0.55 H new ATOM 0 HB2 CYS X 23 -2.046 4.197 -0.548 1.00 0.56 H new ATOM 0 HB3 CYS X 23 -3.575 4.526 0.243 1.00 0.56 H new ATOM 322 N GLU X 24 -3.554 8.333 0.048 1.00 0.69 N ATOM 323 CA GLU X 24 -4.600 9.266 0.469 1.00 0.79 C ATOM 324 C GLU X 24 -5.231 9.983 -0.736 1.00 0.91 C ATOM 325 O GLU X 24 -4.524 10.643 -1.498 1.00 1.00 O ATOM 326 CB GLU X 24 -4.025 10.321 1.423 1.00 0.83 C ATOM 327 CG GLU X 24 -3.027 9.780 2.436 1.00 1.04 C ATOM 328 CD GLU X 24 -2.046 10.837 2.905 1.00 1.58 C ATOM 329 OE1 GLU X 24 -1.699 11.724 2.098 1.00 2.32 O ATOM 330 OE2 GLU X 24 -1.625 10.777 4.080 1.00 1.96 O ATOM 0 H GLU X 24 -2.924 8.703 -0.664 1.00 0.69 H new ATOM 0 HA GLU X 24 -5.368 8.682 0.977 1.00 0.79 H new ATOM 0 HB2 GLU X 24 -3.540 11.099 0.834 1.00 0.83 H new ATOM 0 HB3 GLU X 24 -4.848 10.794 1.959 1.00 0.83 H new ATOM 0 HG2 GLU X 24 -3.566 9.382 3.296 1.00 1.04 H new ATOM 0 HG3 GLU X 24 -2.477 8.950 1.992 1.00 1.04 H new ATOM 337 N PRO X 25 -6.568 9.886 -0.927 1.00 1.29 N ATOM 338 CA PRO X 25 -7.258 10.546 -2.029 1.00 1.49 C ATOM 339 C PRO X 25 -7.801 11.915 -1.627 1.00 1.42 C ATOM 340 O PRO X 25 -8.831 12.011 -0.960 1.00 2.13 O ATOM 341 CB PRO X 25 -8.408 9.592 -2.326 1.00 2.33 C ATOM 342 CG PRO X 25 -8.649 8.823 -1.056 1.00 2.54 C ATOM 343 CD PRO X 25 -7.523 9.143 -0.097 1.00 1.82 C ATOM 0 HA PRO X 25 -6.601 10.734 -2.878 1.00 1.49 H new ATOM 0 HB2 PRO X 25 -9.301 10.140 -2.626 1.00 2.33 H new ATOM 0 HB3 PRO X 25 -8.156 8.920 -3.147 1.00 2.33 H new ATOM 0 HG2 PRO X 25 -9.610 9.097 -0.621 1.00 2.54 H new ATOM 0 HG3 PRO X 25 -8.684 7.753 -1.259 1.00 2.54 H new ATOM 0 HD2 PRO X 25 -7.871 9.740 0.746 1.00 1.82 H new ATOM 0 HD3 PRO X 25 -7.077 8.238 0.315 1.00 1.82 H new ATOM 351 N LYS X 26 -7.100 12.968 -2.027 1.00 1.21 N ATOM 352 CA LYS X 26 -7.517 14.334 -1.693 1.00 1.55 C ATOM 353 C LYS X 26 -7.800 15.162 -2.946 1.00 1.36 C ATOM 354 O LYS X 26 -6.906 15.849 -3.445 1.00 1.14 O ATOM 355 CB LYS X 26 -6.428 15.037 -0.874 1.00 2.18 C ATOM 356 CG LYS X 26 -5.737 14.146 0.147 1.00 3.16 C ATOM 357 CD LYS X 26 -6.636 13.846 1.335 1.00 4.19 C ATOM 358 CE LYS X 26 -5.838 13.770 2.627 1.00 5.06 C ATOM 359 NZ LYS X 26 -5.293 15.099 3.022 1.00 5.85 N ATOM 0 H LYS X 26 -6.245 12.909 -2.580 1.00 1.21 H new ATOM 0 HA LYS X 26 -8.435 14.256 -1.111 1.00 1.55 H new ATOM 0 HB2 LYS X 26 -5.678 15.436 -1.557 1.00 2.18 H new ATOM 0 HB3 LYS X 26 -6.872 15.887 -0.355 1.00 2.18 H new ATOM 0 HG2 LYS X 26 -5.439 13.211 -0.329 1.00 3.16 H new ATOM 0 HG3 LYS X 26 -4.825 14.631 0.495 1.00 3.16 H new ATOM 0 HD2 LYS X 26 -7.399 14.620 1.421 1.00 4.19 H new ATOM 0 HD3 LYS X 26 -7.157 12.903 1.171 1.00 4.19 H new ATOM 0 HE2 LYS X 26 -6.474 13.387 3.425 1.00 5.06 H new ATOM 0 HE3 LYS X 26 -5.018 13.063 2.506 1.00 5.06 H new ATOM 0 HZ1 LYS X 26 -5.122 15.113 4.048 1.00 5.85 H new ATOM 0 HZ2 LYS X 26 -4.399 15.271 2.520 1.00 5.85 H new ATOM 0 HZ3 LYS X 26 -5.977 15.842 2.774 1.00 5.85 H new ATOM 373 N GLU X 27 -9.031 15.118 -3.460 1.00 2.30 N ATOM 374 CA GLU X 27 -9.364 15.905 -4.652 1.00 2.89 C ATOM 375 C GLU X 27 -10.257 17.078 -4.298 1.00 2.69 C ATOM 376 O GLU X 27 -11.476 16.934 -4.285 1.00 3.11 O ATOM 377 CB GLU X 27 -10.061 15.030 -5.697 1.00 4.16 C ATOM 378 CG GLU X 27 -10.191 15.704 -7.055 1.00 4.98 C ATOM 379 CD GLU X 27 -9.802 14.800 -8.212 1.00 6.16 C ATOM 380 OE1 GLU X 27 -9.523 13.607 -7.972 1.00 6.69 O ATOM 381 OE2 GLU X 27 -9.775 15.289 -9.360 1.00 6.77 O ATOM 0 H GLU X 27 -9.797 14.561 -3.082 1.00 2.30 H new ATOM 0 HA GLU X 27 -8.431 16.287 -5.067 1.00 2.89 H new ATOM 0 HB2 GLU X 27 -9.504 14.100 -5.812 1.00 4.16 H new ATOM 0 HB3 GLU X 27 -11.054 14.764 -5.334 1.00 4.16 H new ATOM 0 HG2 GLU X 27 -11.220 16.035 -7.192 1.00 4.98 H new ATOM 0 HG3 GLU X 27 -9.564 16.595 -7.072 1.00 4.98 H new ATOM 388 N GLY X 28 -9.649 18.238 -4.047 1.00 2.44 N ATOM 389 CA GLY X 28 -10.392 19.458 -3.703 1.00 2.37 C ATOM 390 C GLY X 28 -11.216 19.358 -2.412 1.00 2.04 C ATOM 391 O GLY X 28 -11.102 20.212 -1.532 1.00 2.20 O ATOM 0 H GLY X 28 -8.637 18.362 -4.075 1.00 2.44 H new ATOM 0 HA2 GLY X 28 -9.686 20.283 -3.606 1.00 2.37 H new ATOM 0 HA3 GLY X 28 -11.060 19.706 -4.528 1.00 2.37 H new ATOM 395 N SER X 29 -12.036 18.317 -2.302 1.00 1.87 N ATOM 396 CA SER X 29 -12.878 18.076 -1.143 1.00 1.92 C ATOM 397 C SER X 29 -12.675 16.640 -0.673 1.00 1.64 C ATOM 398 O SER X 29 -12.026 15.848 -1.356 1.00 1.48 O ATOM 399 CB SER X 29 -14.349 18.313 -1.492 1.00 2.51 C ATOM 400 OG SER X 29 -14.479 19.260 -2.538 1.00 3.00 O ATOM 0 H SER X 29 -12.133 17.608 -3.029 1.00 1.87 H new ATOM 0 HA SER X 29 -12.602 18.766 -0.346 1.00 1.92 H new ATOM 0 HB2 SER X 29 -14.811 17.372 -1.790 1.00 2.51 H new ATOM 0 HB3 SER X 29 -14.883 18.666 -0.610 1.00 2.51 H new ATOM 0 HG SER X 29 -15.428 19.392 -2.743 1.00 3.00 H new ATOM 406 N LEU X 30 -13.208 16.303 0.494 1.00 2.00 N ATOM 407 CA LEU X 30 -13.050 14.954 1.035 1.00 2.10 C ATOM 408 C LEU X 30 -13.599 13.902 0.059 1.00 1.70 C ATOM 409 O LEU X 30 -14.638 14.113 -0.566 1.00 1.83 O ATOM 410 CB LEU X 30 -13.771 14.837 2.380 1.00 2.88 C ATOM 411 CG LEU X 30 -13.596 16.038 3.317 1.00 3.48 C ATOM 412 CD1 LEU X 30 -14.803 16.962 3.233 1.00 3.94 C ATOM 413 CD2 LEU X 30 -13.380 15.577 4.752 1.00 4.02 C ATOM 0 H LEU X 30 -13.749 16.937 1.082 1.00 2.00 H new ATOM 0 HA LEU X 30 -11.985 14.770 1.179 1.00 2.10 H new ATOM 0 HB2 LEU X 30 -14.835 14.693 2.193 1.00 2.88 H new ATOM 0 HB3 LEU X 30 -13.413 13.943 2.890 1.00 2.88 H new ATOM 0 HG LEU X 30 -12.713 16.591 2.998 1.00 3.48 H new ATOM 0 HD11 LEU X 30 -14.661 17.808 3.905 1.00 3.94 H new ATOM 0 HD12 LEU X 30 -14.913 17.324 2.211 1.00 3.94 H new ATOM 0 HD13 LEU X 30 -15.700 16.416 3.523 1.00 3.94 H new ATOM 0 HD21 LEU X 30 -13.258 16.446 5.399 1.00 4.02 H new ATOM 0 HD22 LEU X 30 -14.242 14.997 5.082 1.00 4.02 H new ATOM 0 HD23 LEU X 30 -12.485 14.957 4.804 1.00 4.02 H new ATOM 425 N PRO X 31 -12.896 12.754 -0.098 1.00 1.55 N ATOM 426 CA PRO X 31 -13.317 11.684 -1.017 1.00 1.41 C ATOM 427 C PRO X 31 -14.606 10.994 -0.581 1.00 1.33 C ATOM 428 O PRO X 31 -15.092 11.207 0.530 1.00 1.49 O ATOM 429 CB PRO X 31 -12.149 10.694 -0.976 1.00 1.73 C ATOM 430 CG PRO X 31 -11.487 10.942 0.333 1.00 2.02 C ATOM 431 CD PRO X 31 -11.633 12.414 0.591 1.00 1.91 C ATOM 0 HA PRO X 31 -13.533 12.078 -2.010 1.00 1.41 H new ATOM 0 HB2 PRO X 31 -12.500 9.665 -1.053 1.00 1.73 H new ATOM 0 HB3 PRO X 31 -11.461 10.859 -1.805 1.00 1.73 H new ATOM 0 HG2 PRO X 31 -11.955 10.358 1.125 1.00 2.02 H new ATOM 0 HG3 PRO X 31 -10.437 10.653 0.301 1.00 2.02 H new ATOM 0 HD2 PRO X 31 -11.685 12.633 1.658 1.00 1.91 H new ATOM 0 HD3 PRO X 31 -10.791 12.979 0.190 1.00 1.91 H new ATOM 439 N LEU X 32 -15.152 10.160 -1.466 1.00 1.21 N ATOM 440 CA LEU X 32 -16.382 9.431 -1.175 1.00 1.20 C ATOM 441 C LEU X 32 -16.087 8.003 -0.725 1.00 1.07 C ATOM 442 O LEU X 32 -16.439 7.610 0.387 1.00 1.16 O ATOM 443 CB LEU X 32 -17.301 9.414 -2.401 1.00 1.27 C ATOM 444 CG LEU X 32 -18.363 10.513 -2.426 1.00 1.50 C ATOM 445 CD1 LEU X 32 -19.226 10.392 -3.673 1.00 1.97 C ATOM 446 CD2 LEU X 32 -19.222 10.444 -1.173 1.00 2.01 C ATOM 0 H LEU X 32 -14.761 9.974 -2.389 1.00 1.21 H new ATOM 0 HA LEU X 32 -16.887 9.949 -0.360 1.00 1.20 H new ATOM 0 HB2 LEU X 32 -16.688 9.502 -3.298 1.00 1.27 H new ATOM 0 HB3 LEU X 32 -17.800 8.446 -2.449 1.00 1.27 H new ATOM 0 HG LEU X 32 -17.862 11.481 -2.450 1.00 1.50 H new ATOM 0 HD11 LEU X 32 -19.977 11.182 -3.674 1.00 1.97 H new ATOM 0 HD12 LEU X 32 -18.599 10.486 -4.560 1.00 1.97 H new ATOM 0 HD13 LEU X 32 -19.721 9.421 -3.680 1.00 1.97 H new ATOM 0 HD21 LEU X 32 -19.974 11.232 -1.204 1.00 2.01 H new ATOM 0 HD22 LEU X 32 -19.715 9.473 -1.123 1.00 2.01 H new ATOM 0 HD23 LEU X 32 -18.593 10.577 -0.293 1.00 2.01 H new ATOM 458 N GLN X 33 -15.446 7.229 -1.593 1.00 0.94 N ATOM 459 CA GLN X 33 -15.116 5.846 -1.272 1.00 0.93 C ATOM 460 C GLN X 33 -13.801 5.428 -1.923 1.00 0.80 C ATOM 461 O GLN X 33 -13.489 5.845 -3.038 1.00 0.77 O ATOM 462 CB GLN X 33 -16.249 4.922 -1.728 1.00 1.04 C ATOM 463 CG GLN X 33 -16.458 4.913 -3.233 1.00 1.07 C ATOM 464 CD GLN X 33 -17.846 4.449 -3.630 1.00 1.35 C ATOM 465 OE1 GLN X 33 -18.830 4.748 -2.953 1.00 1.59 O ATOM 466 NE2 GLN X 33 -17.934 3.719 -4.736 1.00 1.77 N ATOM 0 H GLN X 33 -15.146 7.533 -2.519 1.00 0.94 H new ATOM 0 HA GLN X 33 -14.997 5.764 -0.192 1.00 0.93 H new ATOM 0 HB2 GLN X 33 -16.036 3.907 -1.393 1.00 1.04 H new ATOM 0 HB3 GLN X 33 -17.175 5.230 -1.243 1.00 1.04 H new ATOM 0 HG2 GLN X 33 -16.289 5.916 -3.625 1.00 1.07 H new ATOM 0 HG3 GLN X 33 -15.716 4.261 -3.695 1.00 1.07 H new ATOM 0 HE21 GLN X 33 -17.093 3.494 -5.267 1.00 1.77 H new ATOM 0 HE22 GLN X 33 -18.843 3.383 -5.054 1.00 1.77 H new ATOM 475 N TYR X 34 -13.035 4.599 -1.219 1.00 0.79 N ATOM 476 CA TYR X 34 -11.756 4.121 -1.730 1.00 0.73 C ATOM 477 C TYR X 34 -11.316 2.854 -0.997 1.00 0.68 C ATOM 478 O TYR X 34 -11.554 2.707 0.202 1.00 0.69 O ATOM 479 CB TYR X 34 -10.692 5.216 -1.592 1.00 0.80 C ATOM 480 CG TYR X 34 -10.316 5.534 -0.161 1.00 0.86 C ATOM 481 CD1 TYR X 34 -11.288 5.979 0.765 1.00 1.49 C ATOM 482 CD2 TYR X 34 -8.981 5.397 0.284 1.00 1.52 C ATOM 483 CE1 TYR X 34 -10.940 6.278 2.094 1.00 1.57 C ATOM 484 CE2 TYR X 34 -8.625 5.693 1.611 1.00 1.63 C ATOM 485 CZ TYR X 34 -9.608 6.132 2.512 1.00 1.15 C ATOM 486 OH TYR X 34 -9.263 6.423 3.812 1.00 1.35 O ATOM 0 H TYR X 34 -13.278 4.245 -0.294 1.00 0.79 H new ATOM 0 HA TYR X 34 -11.876 3.876 -2.785 1.00 0.73 H new ATOM 0 HB2 TYR X 34 -9.797 4.908 -2.132 1.00 0.80 H new ATOM 0 HB3 TYR X 34 -11.057 6.125 -2.071 1.00 0.80 H new ATOM 0 HD1 TYR X 34 -12.314 6.091 0.446 1.00 1.49 H new ATOM 0 HD2 TYR X 34 -8.223 5.059 -0.407 1.00 1.52 H new ATOM 0 HE1 TYR X 34 -11.693 6.618 2.789 1.00 1.57 H new ATOM 0 HE2 TYR X 34 -7.601 5.583 1.936 1.00 1.63 H new ATOM 0 HH TYR X 34 -8.486 5.885 4.073 1.00 1.35 H new ATOM 496 N GLU X 35 -10.676 1.943 -1.723 1.00 0.67 N ATOM 497 CA GLU X 35 -10.207 0.691 -1.136 1.00 0.66 C ATOM 498 C GLU X 35 -8.910 0.228 -1.798 1.00 0.66 C ATOM 499 O GLU X 35 -8.724 0.400 -3.002 1.00 0.72 O ATOM 500 CB GLU X 35 -11.286 -0.383 -1.286 1.00 0.70 C ATOM 501 CG GLU X 35 -12.522 -0.121 -0.439 1.00 0.73 C ATOM 502 CD GLU X 35 -13.626 -1.135 -0.677 1.00 0.87 C ATOM 503 OE1 GLU X 35 -13.490 -1.960 -1.606 1.00 1.48 O ATOM 504 OE2 GLU X 35 -14.632 -1.100 0.063 1.00 1.40 O ATOM 0 H GLU X 35 -10.470 2.047 -2.717 1.00 0.67 H new ATOM 0 HA GLU X 35 -10.006 0.858 -0.078 1.00 0.66 H new ATOM 0 HB2 GLU X 35 -11.580 -0.448 -2.334 1.00 0.70 H new ATOM 0 HB3 GLU X 35 -10.865 -1.351 -1.012 1.00 0.70 H new ATOM 0 HG2 GLU X 35 -12.244 -0.135 0.615 1.00 0.73 H new ATOM 0 HG3 GLU X 35 -12.900 0.878 -0.656 1.00 0.73 H new ATOM 511 N TRP X 36 -8.017 -0.358 -1.006 1.00 0.68 N ATOM 512 CA TRP X 36 -6.736 -0.845 -1.522 1.00 0.72 C ATOM 513 C TRP X 36 -6.868 -2.221 -2.178 1.00 0.74 C ATOM 514 O TRP X 36 -7.768 -2.996 -1.855 1.00 0.82 O ATOM 515 CB TRP X 36 -5.703 -0.937 -0.399 1.00 0.87 C ATOM 516 CG TRP X 36 -5.154 0.383 0.043 1.00 0.71 C ATOM 517 CD1 TRP X 36 -5.794 1.592 0.029 1.00 0.71 C ATOM 518 CD2 TRP X 36 -3.848 0.621 0.573 1.00 0.77 C ATOM 519 NE1 TRP X 36 -4.972 2.572 0.538 1.00 0.84 N ATOM 520 CE2 TRP X 36 -3.766 2.012 0.872 1.00 0.87 C ATOM 521 CE3 TRP X 36 -2.723 -0.206 0.833 1.00 0.90 C ATOM 522 CZ2 TRP X 36 -2.599 2.595 1.422 1.00 1.09 C ATOM 523 CZ3 TRP X 36 -1.564 0.372 1.376 1.00 1.05 C ATOM 524 CH2 TRP X 36 -1.510 1.764 1.666 1.00 1.15 C ATOM 0 H TRP X 36 -8.154 -0.508 -0.006 1.00 0.68 H new ATOM 0 HA TRP X 36 -6.410 -0.128 -2.275 1.00 0.72 H new ATOM 0 HB2 TRP X 36 -6.159 -1.433 0.458 1.00 0.87 H new ATOM 0 HB3 TRP X 36 -4.878 -1.568 -0.731 1.00 0.87 H new ATOM 0 HD1 TRP X 36 -6.800 1.754 -0.330 1.00 0.71 H new ATOM 0 HE1 TRP X 36 -5.220 3.555 0.649 1.00 0.84 H new ATOM 0 HE3 TRP X 36 -2.758 -1.263 0.616 1.00 0.90 H new ATOM 0 HZ2 TRP X 36 -2.555 3.651 1.645 1.00 1.09 H new ATOM 0 HZ3 TRP X 36 -0.703 -0.248 1.576 1.00 1.05 H new ATOM 0 HH2 TRP X 36 -0.607 2.183 2.083 1.00 1.15 H new ATOM 535 N GLN X 37 -5.931 -2.523 -3.075 1.00 0.76 N ATOM 536 CA GLN X 37 -5.885 -3.812 -3.764 1.00 0.84 C ATOM 537 C GLN X 37 -4.431 -4.213 -3.974 1.00 0.91 C ATOM 538 O GLN X 37 -3.623 -3.395 -4.400 1.00 1.04 O ATOM 539 CB GLN X 37 -6.619 -3.753 -5.104 1.00 0.86 C ATOM 540 CG GLN X 37 -8.132 -3.736 -4.966 1.00 1.15 C ATOM 541 CD GLN X 37 -8.840 -3.742 -6.306 1.00 1.48 C ATOM 542 OE1 GLN X 37 -8.270 -3.352 -7.325 1.00 1.93 O ATOM 543 NE2 GLN X 37 -10.089 -4.194 -6.311 1.00 2.10 N ATOM 0 H GLN X 37 -5.184 -1.883 -3.344 1.00 0.76 H new ATOM 0 HA GLN X 37 -6.388 -4.557 -3.148 1.00 0.84 H new ATOM 0 HB2 GLN X 37 -6.301 -2.861 -5.644 1.00 0.86 H new ATOM 0 HB3 GLN X 37 -6.327 -4.612 -5.708 1.00 0.86 H new ATOM 0 HG2 GLN X 37 -8.450 -4.603 -4.387 1.00 1.15 H new ATOM 0 HG3 GLN X 37 -8.432 -2.851 -4.405 1.00 1.15 H new ATOM 0 HE21 GLN X 37 -10.522 -4.507 -5.442 1.00 2.10 H new ATOM 0 HE22 GLN X 37 -10.616 -4.228 -7.184 1.00 2.10 H new ATOM 552 N LYS X 38 -4.080 -5.455 -3.649 1.00 0.97 N ATOM 553 CA LYS X 38 -2.689 -5.895 -3.791 1.00 1.09 C ATOM 554 C LYS X 38 -2.588 -7.358 -4.200 1.00 0.97 C ATOM 555 O LYS X 38 -3.543 -8.123 -4.067 1.00 1.20 O ATOM 556 CB LYS X 38 -1.920 -5.705 -2.474 1.00 1.54 C ATOM 557 CG LYS X 38 -2.452 -4.597 -1.577 1.00 1.90 C ATOM 558 CD LYS X 38 -3.610 -5.094 -0.727 1.00 2.61 C ATOM 559 CE LYS X 38 -4.462 -3.947 -0.213 1.00 3.25 C ATOM 560 NZ LYS X 38 -5.462 -4.407 0.790 1.00 3.97 N ATOM 0 H LYS X 38 -4.722 -6.163 -3.293 1.00 0.97 H new ATOM 0 HA LYS X 38 -2.251 -5.279 -4.576 1.00 1.09 H new ATOM 0 HB2 LYS X 38 -1.940 -6.643 -1.919 1.00 1.54 H new ATOM 0 HB3 LYS X 38 -0.876 -5.495 -2.707 1.00 1.54 H new ATOM 0 HG2 LYS X 38 -1.653 -4.231 -0.932 1.00 1.90 H new ATOM 0 HG3 LYS X 38 -2.779 -3.755 -2.187 1.00 1.90 H new ATOM 0 HD2 LYS X 38 -4.229 -5.772 -1.315 1.00 2.61 H new ATOM 0 HD3 LYS X 38 -3.223 -5.666 0.116 1.00 2.61 H new ATOM 0 HE2 LYS X 38 -3.819 -3.189 0.236 1.00 3.25 H new ATOM 0 HE3 LYS X 38 -4.977 -3.474 -1.049 1.00 3.25 H new ATOM 0 HZ1 LYS X 38 -6.368 -3.925 0.623 1.00 3.97 H new ATOM 0 HZ2 LYS X 38 -5.595 -5.435 0.702 1.00 3.97 H new ATOM 0 HZ3 LYS X 38 -5.122 -4.183 1.747 1.00 3.97 H new ATOM 574 N LEU X 39 -1.392 -7.749 -4.636 1.00 0.86 N ATOM 575 CA LEU X 39 -1.113 -9.111 -4.995 1.00 0.94 C ATOM 576 C LEU X 39 0.201 -9.473 -4.343 1.00 1.07 C ATOM 577 O LEU X 39 1.275 -9.149 -4.852 1.00 1.14 O ATOM 578 CB LEU X 39 -1.013 -9.271 -6.510 1.00 1.12 C ATOM 579 CG LEU X 39 -2.233 -8.791 -7.298 1.00 1.25 C ATOM 580 CD1 LEU X 39 -1.994 -8.944 -8.792 1.00 1.81 C ATOM 581 CD2 LEU X 39 -3.479 -9.555 -6.877 1.00 1.55 C ATOM 0 H LEU X 39 -0.598 -7.119 -4.745 1.00 0.86 H new ATOM 0 HA LEU X 39 -1.916 -9.766 -4.658 1.00 0.94 H new ATOM 0 HB2 LEU X 39 -0.137 -8.725 -6.860 1.00 1.12 H new ATOM 0 HB3 LEU X 39 -0.845 -10.324 -6.738 1.00 1.12 H new ATOM 0 HG LEU X 39 -2.389 -7.735 -7.079 1.00 1.25 H new ATOM 0 HD11 LEU X 39 -2.872 -8.598 -9.338 1.00 1.81 H new ATOM 0 HD12 LEU X 39 -1.127 -8.351 -9.084 1.00 1.81 H new ATOM 0 HD13 LEU X 39 -1.811 -9.993 -9.026 1.00 1.81 H new ATOM 0 HD21 LEU X 39 -4.335 -9.198 -7.449 1.00 1.55 H new ATOM 0 HD22 LEU X 39 -3.334 -10.619 -7.065 1.00 1.55 H new ATOM 0 HD23 LEU X 39 -3.661 -9.396 -5.814 1.00 1.55 H new ATOM 593 N SER X 40 0.107 -10.123 -3.209 1.00 1.28 N ATOM 594 CA SER X 40 1.282 -10.514 -2.464 1.00 1.56 C ATOM 595 C SER X 40 1.109 -11.913 -1.922 1.00 1.81 C ATOM 596 O SER X 40 0.150 -12.204 -1.229 1.00 2.23 O ATOM 597 CB SER X 40 1.543 -9.531 -1.319 1.00 1.98 C ATOM 598 OG SER X 40 1.974 -8.274 -1.814 1.00 2.47 O ATOM 0 H SER X 40 -0.777 -10.395 -2.778 1.00 1.28 H new ATOM 0 HA SER X 40 2.141 -10.498 -3.135 1.00 1.56 H new ATOM 0 HB2 SER X 40 0.634 -9.402 -0.732 1.00 1.98 H new ATOM 0 HB3 SER X 40 2.299 -9.940 -0.649 1.00 1.98 H new ATOM 0 HG SER X 40 2.563 -7.848 -1.157 1.00 2.47 H new ATOM 604 N ASP X 41 2.045 -12.777 -2.248 1.00 2.27 N ATOM 605 CA ASP X 41 2.003 -14.179 -1.799 1.00 2.97 C ATOM 606 C ASP X 41 1.658 -14.292 -0.302 1.00 2.57 C ATOM 607 O ASP X 41 1.077 -15.283 0.141 1.00 2.97 O ATOM 608 CB ASP X 41 3.346 -14.853 -2.076 1.00 4.15 C ATOM 609 CG ASP X 41 3.736 -14.775 -3.539 1.00 4.94 C ATOM 610 OD1 ASP X 41 2.875 -15.054 -4.399 1.00 5.42 O ATOM 611 OD2 ASP X 41 4.902 -14.429 -3.824 1.00 5.37 O ATOM 0 H ASP X 41 2.854 -12.546 -2.825 1.00 2.27 H new ATOM 0 HA ASP X 41 1.215 -14.683 -2.359 1.00 2.97 H new ATOM 0 HB2 ASP X 41 4.119 -14.381 -1.470 1.00 4.15 H new ATOM 0 HB3 ASP X 41 3.296 -15.898 -1.771 1.00 4.15 H new ATOM 616 N SER X 42 2.014 -13.258 0.456 1.00 2.27 N ATOM 617 CA SER X 42 1.751 -13.193 1.895 1.00 2.63 C ATOM 618 C SER X 42 0.397 -12.550 2.215 1.00 2.46 C ATOM 619 O SER X 42 0.180 -12.116 3.344 1.00 3.12 O ATOM 620 CB SER X 42 2.840 -12.428 2.618 1.00 3.25 C ATOM 621 OG SER X 42 4.004 -13.219 2.781 1.00 3.95 O ATOM 0 H SER X 42 2.495 -12.437 0.090 1.00 2.27 H new ATOM 0 HA SER X 42 1.733 -14.226 2.243 1.00 2.63 H new ATOM 0 HB2 SER X 42 3.086 -11.526 2.058 1.00 3.25 H new ATOM 0 HB3 SER X 42 2.476 -12.108 3.594 1.00 3.25 H new ATOM 0 HG SER X 42 4.739 -12.656 3.102 1.00 3.95 H new ATOM 627 N GLN X 43 -0.468 -12.437 1.204 1.00 2.18 N ATOM 628 CA GLN X 43 -1.803 -11.807 1.295 1.00 2.95 C ATOM 629 C GLN X 43 -2.562 -11.982 2.630 1.00 2.58 C ATOM 630 O GLN X 43 -3.572 -11.303 2.824 1.00 3.42 O ATOM 631 CB GLN X 43 -2.692 -12.348 0.167 1.00 3.82 C ATOM 632 CG GLN X 43 -2.544 -11.607 -1.154 1.00 4.56 C ATOM 633 CD GLN X 43 -2.489 -12.541 -2.354 1.00 5.56 C ATOM 634 OE1 GLN X 43 -1.691 -13.601 -2.258 1.00 6.00 O flip ATOM 635 NE2 GLN X 43 -3.160 -12.312 -3.360 1.00 6.22 N flip ATOM 0 H GLN X 43 -0.260 -12.789 0.269 1.00 2.18 H new ATOM 0 HA GLN X 43 -1.602 -10.739 1.214 1.00 2.95 H new ATOM 0 HB2 GLN X 43 -2.458 -13.401 0.008 1.00 3.82 H new ATOM 0 HB3 GLN X 43 -3.734 -12.297 0.484 1.00 3.82 H new ATOM 0 HG2 GLN X 43 -3.380 -10.918 -1.274 1.00 4.56 H new ATOM 0 HG3 GLN X 43 -1.636 -11.004 -1.127 1.00 4.56 H new ATOM 0 HE21 GLN X 43 -3.761 -11.488 -3.396 1.00 6.22 H new ATOM 0 HE22 GLN X 43 -3.116 -12.946 -4.158 1.00 6.22 H new ATOM 644 N LYS X 44 -2.134 -12.863 3.541 1.00 1.69 N ATOM 645 CA LYS X 44 -2.867 -13.031 4.788 1.00 1.81 C ATOM 646 C LYS X 44 -2.593 -11.856 5.720 1.00 1.30 C ATOM 647 O LYS X 44 -1.622 -11.847 6.476 1.00 1.50 O ATOM 648 CB LYS X 44 -2.431 -14.324 5.465 1.00 2.58 C ATOM 649 CG LYS X 44 -2.528 -15.542 4.564 1.00 3.57 C ATOM 650 CD LYS X 44 -1.744 -16.714 5.128 1.00 4.69 C ATOM 651 CE LYS X 44 -1.686 -17.869 4.143 1.00 5.74 C ATOM 652 NZ LYS X 44 -3.029 -18.465 3.909 1.00 6.65 N ATOM 0 H LYS X 44 -1.308 -13.452 3.439 1.00 1.69 H new ATOM 0 HA LYS X 44 -3.934 -13.072 4.569 1.00 1.81 H new ATOM 0 HB2 LYS X 44 -1.402 -14.216 5.807 1.00 2.58 H new ATOM 0 HB3 LYS X 44 -3.046 -14.487 6.350 1.00 2.58 H new ATOM 0 HG2 LYS X 44 -3.574 -15.826 4.445 1.00 3.57 H new ATOM 0 HG3 LYS X 44 -2.150 -15.293 3.572 1.00 3.57 H new ATOM 0 HD2 LYS X 44 -0.732 -16.392 5.373 1.00 4.69 H new ATOM 0 HD3 LYS X 44 -2.206 -17.049 6.057 1.00 4.69 H new ATOM 0 HE2 LYS X 44 -1.274 -17.519 3.197 1.00 5.74 H new ATOM 0 HE3 LYS X 44 -1.009 -18.635 4.521 1.00 5.74 H new ATOM 0 HZ1 LYS X 44 -2.938 -19.292 3.285 1.00 6.65 H new ATOM 0 HZ2 LYS X 44 -3.441 -18.761 4.817 1.00 6.65 H new ATOM 0 HZ3 LYS X 44 -3.649 -17.760 3.461 1.00 6.65 H new ATOM 666 N MET X 45 -3.482 -10.874 5.653 1.00 1.54 N ATOM 667 CA MET X 45 -3.400 -9.674 6.476 1.00 1.50 C ATOM 668 C MET X 45 -4.797 -9.091 6.684 1.00 1.15 C ATOM 669 O MET X 45 -5.143 -8.086 6.071 1.00 1.10 O ATOM 670 CB MET X 45 -2.485 -8.640 5.815 1.00 2.30 C ATOM 671 CG MET X 45 -1.032 -8.745 6.247 1.00 2.93 C ATOM 672 SD MET X 45 -0.082 -7.263 5.852 1.00 3.38 S ATOM 673 CE MET X 45 0.931 -7.107 7.321 1.00 3.87 C ATOM 0 H MET X 45 -4.284 -10.887 5.023 1.00 1.54 H new ATOM 0 HA MET X 45 -2.979 -9.938 7.446 1.00 1.50 H new ATOM 0 HB2 MET X 45 -2.542 -8.756 4.733 1.00 2.30 H new ATOM 0 HB3 MET X 45 -2.853 -7.641 6.048 1.00 2.30 H new ATOM 0 HG2 MET X 45 -0.988 -8.925 7.321 1.00 2.93 H new ATOM 0 HG3 MET X 45 -0.574 -9.606 5.761 1.00 2.93 H new ATOM 0 HE1 MET X 45 1.184 -6.059 7.479 1.00 3.87 H new ATOM 0 HE2 MET X 45 0.381 -7.482 8.184 1.00 3.87 H new ATOM 0 HE3 MET X 45 1.846 -7.686 7.195 1.00 3.87 H new ATOM 683 N PRO X 46 -5.635 -9.713 7.529 1.00 1.26 N ATOM 684 CA PRO X 46 -6.998 -9.228 7.764 1.00 1.45 C ATOM 685 C PRO X 46 -7.026 -7.834 8.370 1.00 1.46 C ATOM 686 O PRO X 46 -7.568 -6.900 7.778 1.00 1.37 O ATOM 687 CB PRO X 46 -7.595 -10.252 8.736 1.00 1.97 C ATOM 688 CG PRO X 46 -6.716 -11.452 8.628 1.00 2.04 C ATOM 689 CD PRO X 46 -5.346 -10.933 8.300 1.00 1.61 C ATOM 0 HA PRO X 46 -7.556 -9.140 6.832 1.00 1.45 H new ATOM 0 HB2 PRO X 46 -7.610 -9.865 9.755 1.00 1.97 H new ATOM 0 HB3 PRO X 46 -8.625 -10.493 8.471 1.00 1.97 H new ATOM 0 HG2 PRO X 46 -6.707 -12.014 9.562 1.00 2.04 H new ATOM 0 HG3 PRO X 46 -7.073 -12.129 7.852 1.00 2.04 H new ATOM 0 HD2 PRO X 46 -4.770 -10.716 9.199 1.00 1.61 H new ATOM 0 HD3 PRO X 46 -4.770 -11.652 7.718 1.00 1.61 H new ATOM 697 N THR X 47 -6.433 -7.695 9.544 1.00 1.67 N ATOM 698 CA THR X 47 -6.387 -6.411 10.218 1.00 1.80 C ATOM 699 C THR X 47 -5.579 -5.423 9.399 1.00 1.47 C ATOM 700 O THR X 47 -5.891 -4.233 9.355 1.00 1.41 O ATOM 701 CB THR X 47 -5.785 -6.553 11.616 1.00 2.23 C ATOM 702 OG1 THR X 47 -4.845 -7.611 11.654 1.00 2.23 O ATOM 703 CG2 THR X 47 -6.821 -6.814 12.688 1.00 2.65 C ATOM 0 H THR X 47 -5.978 -8.455 10.049 1.00 1.67 H new ATOM 0 HA THR X 47 -7.406 -6.039 10.321 1.00 1.80 H new ATOM 0 HB THR X 47 -5.306 -5.596 11.824 1.00 2.23 H new ATOM 0 HG1 THR X 47 -4.471 -7.684 12.557 1.00 2.23 H new ATOM 0 HG21 THR X 47 -6.328 -6.905 13.656 1.00 2.65 H new ATOM 0 HG22 THR X 47 -7.530 -5.987 12.718 1.00 2.65 H new ATOM 0 HG23 THR X 47 -7.352 -7.739 12.463 1.00 2.65 H new ATOM 711 N SER X 48 -4.529 -5.921 8.754 1.00 1.36 N ATOM 712 CA SER X 48 -3.682 -5.064 7.947 1.00 1.26 C ATOM 713 C SER X 48 -4.392 -4.614 6.682 1.00 0.91 C ATOM 714 O SER X 48 -4.284 -3.452 6.289 1.00 0.90 O ATOM 715 CB SER X 48 -2.355 -5.756 7.609 1.00 1.46 C ATOM 716 OG SER X 48 -2.301 -7.064 8.151 1.00 1.87 O ATOM 0 H SER X 48 -4.250 -6.902 8.776 1.00 1.36 H new ATOM 0 HA SER X 48 -3.460 -4.176 8.539 1.00 1.26 H new ATOM 0 HB2 SER X 48 -2.233 -5.804 6.527 1.00 1.46 H new ATOM 0 HB3 SER X 48 -1.526 -5.165 7.997 1.00 1.46 H new ATOM 0 HG SER X 48 -1.773 -7.054 8.977 1.00 1.87 H new ATOM 722 N TRP X 49 -5.134 -5.517 6.053 1.00 0.77 N ATOM 723 CA TRP X 49 -5.861 -5.157 4.850 1.00 0.74 C ATOM 724 C TRP X 49 -7.065 -4.283 5.192 1.00 0.74 C ATOM 725 O TRP X 49 -7.582 -3.572 4.331 1.00 0.81 O ATOM 726 CB TRP X 49 -6.267 -6.394 4.047 1.00 0.96 C ATOM 727 CG TRP X 49 -5.122 -6.937 3.241 1.00 1.08 C ATOM 728 CD1 TRP X 49 -3.800 -6.928 3.597 1.00 0.98 C ATOM 729 CD2 TRP X 49 -5.185 -7.543 1.944 1.00 1.95 C ATOM 730 NE1 TRP X 49 -3.031 -7.494 2.607 1.00 1.12 N ATOM 731 CE2 TRP X 49 -3.848 -7.884 1.579 1.00 1.83 C ATOM 732 CE3 TRP X 49 -6.240 -7.843 1.039 1.00 3.00 C ATOM 733 CZ2 TRP X 49 -3.538 -8.508 0.347 1.00 2.67 C ATOM 734 CZ3 TRP X 49 -5.933 -8.462 -0.184 1.00 3.87 C ATOM 735 CH2 TRP X 49 -4.590 -8.789 -0.521 1.00 3.69 C ATOM 0 H TRP X 49 -5.245 -6.486 6.351 1.00 0.77 H new ATOM 0 HA TRP X 49 -5.195 -4.574 4.214 1.00 0.74 H new ATOM 0 HB2 TRP X 49 -6.631 -7.165 4.726 1.00 0.96 H new ATOM 0 HB3 TRP X 49 -7.092 -6.140 3.381 1.00 0.96 H new ATOM 0 HD1 TRP X 49 -3.415 -6.532 4.525 1.00 0.98 H new ATOM 0 HE1 TRP X 49 -2.017 -7.605 2.634 1.00 1.12 H new ATOM 0 HE3 TRP X 49 -7.262 -7.599 1.288 1.00 3.00 H new ATOM 0 HZ2 TRP X 49 -2.520 -8.758 0.089 1.00 2.67 H new ATOM 0 HZ3 TRP X 49 -6.728 -8.693 -0.878 1.00 3.87 H new ATOM 0 HH2 TRP X 49 -4.382 -9.264 -1.468 1.00 3.69 H new ATOM 746 N LEU X 50 -7.484 -4.297 6.465 1.00 0.87 N ATOM 747 CA LEU X 50 -8.594 -3.454 6.894 1.00 1.05 C ATOM 748 C LEU X 50 -8.133 -2.010 6.869 1.00 0.85 C ATOM 749 O LEU X 50 -8.753 -1.137 6.245 1.00 0.82 O ATOM 750 CB LEU X 50 -9.067 -3.839 8.297 1.00 1.42 C ATOM 751 CG LEU X 50 -10.061 -4.999 8.349 1.00 1.72 C ATOM 752 CD1 LEU X 50 -10.448 -5.305 9.788 1.00 2.25 C ATOM 753 CD2 LEU X 50 -11.294 -4.674 7.520 1.00 2.01 C ATOM 0 H LEU X 50 -7.075 -4.874 7.200 1.00 0.87 H new ATOM 0 HA LEU X 50 -9.438 -3.591 6.217 1.00 1.05 H new ATOM 0 HB2 LEU X 50 -8.196 -4.099 8.899 1.00 1.42 H new ATOM 0 HB3 LEU X 50 -9.526 -2.966 8.761 1.00 1.42 H new ATOM 0 HG LEU X 50 -9.585 -5.884 7.928 1.00 1.72 H new ATOM 0 HD11 LEU X 50 -11.156 -6.133 9.806 1.00 2.25 H new ATOM 0 HD12 LEU X 50 -9.557 -5.577 10.354 1.00 2.25 H new ATOM 0 HD13 LEU X 50 -10.908 -4.424 10.236 1.00 2.25 H new ATOM 0 HD21 LEU X 50 -11.994 -5.509 7.566 1.00 2.01 H new ATOM 0 HD22 LEU X 50 -11.772 -3.778 7.915 1.00 2.01 H new ATOM 0 HD23 LEU X 50 -11.001 -4.502 6.484 1.00 2.01 H new ATOM 765 N ALA X 51 -6.987 -1.778 7.502 1.00 0.85 N ATOM 766 CA ALA X 51 -6.381 -0.460 7.511 1.00 0.86 C ATOM 767 C ALA X 51 -6.086 -0.038 6.077 1.00 0.65 C ATOM 768 O ALA X 51 -6.111 1.138 5.749 1.00 0.65 O ATOM 769 CB ALA X 51 -5.112 -0.456 8.351 1.00 1.18 C ATOM 0 H ALA X 51 -6.463 -2.488 8.014 1.00 0.85 H new ATOM 0 HA ALA X 51 -7.073 0.253 7.959 1.00 0.86 H new ATOM 0 HB1 ALA X 51 -4.674 0.542 8.344 1.00 1.18 H new ATOM 0 HB2 ALA X 51 -5.353 -0.739 9.376 1.00 1.18 H new ATOM 0 HB3 ALA X 51 -4.399 -1.168 7.936 1.00 1.18 H new ATOM 775 N GLU X 52 -5.827 -1.026 5.222 1.00 0.66 N ATOM 776 CA GLU X 52 -5.564 -0.771 3.820 1.00 0.88 C ATOM 777 C GLU X 52 -6.857 -0.399 3.108 1.00 0.90 C ATOM 778 O GLU X 52 -6.840 0.391 2.175 1.00 1.13 O ATOM 779 CB GLU X 52 -4.904 -1.985 3.170 1.00 1.15 C ATOM 780 CG GLU X 52 -3.487 -2.226 3.668 1.00 1.35 C ATOM 781 CD GLU X 52 -2.982 -3.624 3.370 1.00 1.73 C ATOM 782 OE1 GLU X 52 -3.445 -4.227 2.382 1.00 2.12 O ATOM 783 OE2 GLU X 52 -2.117 -4.115 4.127 1.00 2.29 O ATOM 0 H GLU X 52 -5.795 -2.011 5.484 1.00 0.66 H new ATOM 0 HA GLU X 52 -4.873 0.068 3.734 1.00 0.88 H new ATOM 0 HB2 GLU X 52 -5.509 -2.870 3.368 1.00 1.15 H new ATOM 0 HB3 GLU X 52 -4.885 -1.847 2.089 1.00 1.15 H new ATOM 0 HG2 GLU X 52 -2.818 -1.499 3.208 1.00 1.35 H new ATOM 0 HG3 GLU X 52 -3.452 -2.055 4.744 1.00 1.35 H new ATOM 790 N MET X 53 -8.004 -0.919 3.576 1.00 0.84 N ATOM 791 CA MET X 53 -9.291 -0.552 2.963 1.00 1.12 C ATOM 792 C MET X 53 -9.389 0.971 2.988 1.00 1.05 C ATOM 793 O MET X 53 -9.755 1.613 2.005 1.00 1.29 O ATOM 794 CB MET X 53 -10.467 -1.185 3.712 1.00 1.29 C ATOM 795 CG MET X 53 -10.501 -2.701 3.613 1.00 1.46 C ATOM 796 SD MET X 53 -12.116 -3.393 4.020 1.00 2.01 S ATOM 797 CE MET X 53 -12.796 -3.645 2.382 1.00 2.67 C ATOM 0 H MET X 53 -8.068 -1.576 4.354 1.00 0.84 H new ATOM 0 HA MET X 53 -9.338 -0.924 1.940 1.00 1.12 H new ATOM 0 HB2 MET X 53 -10.416 -0.898 4.762 1.00 1.29 H new ATOM 0 HB3 MET X 53 -11.399 -0.782 3.317 1.00 1.29 H new ATOM 0 HG2 MET X 53 -10.227 -3.001 2.601 1.00 1.46 H new ATOM 0 HG3 MET X 53 -9.751 -3.121 4.284 1.00 1.46 H new ATOM 0 HE1 MET X 53 -13.796 -4.070 2.465 1.00 2.67 H new ATOM 0 HE2 MET X 53 -12.850 -2.690 1.859 1.00 2.67 H new ATOM 0 HE3 MET X 53 -12.156 -4.329 1.824 1.00 2.67 H new ATOM 807 N THR X 54 -8.936 1.525 4.106 1.00 0.75 N ATOM 808 CA THR X 54 -8.828 2.963 4.274 1.00 0.68 C ATOM 809 C THR X 54 -7.671 3.220 5.222 1.00 0.54 C ATOM 810 O THR X 54 -7.799 3.066 6.436 1.00 0.60 O ATOM 811 CB THR X 54 -10.104 3.576 4.827 1.00 0.83 C ATOM 812 OG1 THR X 54 -10.470 2.964 6.051 1.00 0.92 O ATOM 813 CG2 THR X 54 -11.282 3.475 3.884 1.00 1.14 C ATOM 0 H THR X 54 -8.634 0.988 4.919 1.00 0.75 H new ATOM 0 HA THR X 54 -8.659 3.428 3.303 1.00 0.68 H new ATOM 0 HB THR X 54 -9.873 4.631 4.971 1.00 0.83 H new ATOM 0 HG1 THR X 54 -9.665 2.782 6.579 1.00 0.92 H new ATOM 0 HG21 THR X 54 -12.157 3.933 4.345 1.00 1.14 H new ATOM 0 HG22 THR X 54 -11.049 3.993 2.954 1.00 1.14 H new ATOM 0 HG23 THR X 54 -11.490 2.426 3.673 1.00 1.14 H new ATOM 821 N SER X 55 -6.521 3.545 4.651 1.00 0.68 N ATOM 822 CA SER X 55 -5.306 3.746 5.434 1.00 0.89 C ATOM 823 C SER X 55 -4.868 5.197 5.539 1.00 0.77 C ATOM 824 O SER X 55 -4.926 5.776 6.624 1.00 0.86 O ATOM 825 CB SER X 55 -4.166 2.907 4.843 1.00 1.33 C ATOM 826 OG SER X 55 -4.407 2.606 3.480 1.00 1.91 O ATOM 0 H SER X 55 -6.401 3.676 3.647 1.00 0.68 H new ATOM 0 HA SER X 55 -5.543 3.424 6.448 1.00 0.89 H new ATOM 0 HB2 SER X 55 -3.225 3.449 4.938 1.00 1.33 H new ATOM 0 HB3 SER X 55 -4.060 1.982 5.410 1.00 1.33 H new ATOM 0 HG SER X 55 -3.568 2.337 3.051 1.00 1.91 H new ATOM 832 N SER X 56 -4.348 5.746 4.429 1.00 0.66 N ATOM 833 CA SER X 56 -3.794 7.107 4.379 1.00 0.63 C ATOM 834 C SER X 56 -2.290 7.010 4.612 1.00 0.64 C ATOM 835 O SER X 56 -1.492 7.610 3.891 1.00 0.66 O ATOM 836 CB SER X 56 -4.436 8.064 5.399 1.00 0.71 C ATOM 837 OG SER X 56 -5.839 7.873 5.467 1.00 1.27 O ATOM 0 H SER X 56 -4.300 5.254 3.537 1.00 0.66 H new ATOM 0 HA SER X 56 -4.016 7.531 3.399 1.00 0.63 H new ATOM 0 HB2 SER X 56 -3.996 7.900 6.383 1.00 0.71 H new ATOM 0 HB3 SER X 56 -4.220 9.095 5.121 1.00 0.71 H new ATOM 0 HG SER X 56 -6.050 7.260 6.202 1.00 1.27 H new ATOM 843 N VAL X 57 -1.920 6.205 5.608 1.00 0.64 N ATOM 844 CA VAL X 57 -0.519 5.963 5.952 1.00 0.66 C ATOM 845 C VAL X 57 -0.401 4.606 6.646 1.00 0.64 C ATOM 846 O VAL X 57 -1.228 4.265 7.492 1.00 0.66 O ATOM 847 CB VAL X 57 0.083 7.059 6.871 1.00 0.76 C ATOM 848 CG1 VAL X 57 1.534 7.317 6.499 1.00 0.84 C ATOM 849 CG2 VAL X 57 -0.718 8.357 6.816 1.00 0.82 C ATOM 0 H VAL X 57 -2.583 5.703 6.199 1.00 0.64 H new ATOM 0 HA VAL X 57 0.047 5.981 5.021 1.00 0.66 H new ATOM 0 HB VAL X 57 0.034 6.691 7.896 1.00 0.76 H new ATOM 0 HG11 VAL X 57 1.945 8.088 7.151 1.00 0.84 H new ATOM 0 HG12 VAL X 57 2.109 6.398 6.616 1.00 0.84 H new ATOM 0 HG13 VAL X 57 1.590 7.650 5.463 1.00 0.84 H new ATOM 0 HG21 VAL X 57 -0.260 9.095 7.475 1.00 0.82 H new ATOM 0 HG22 VAL X 57 -0.725 8.737 5.794 1.00 0.82 H new ATOM 0 HG23 VAL X 57 -1.741 8.167 7.140 1.00 0.82 H new ATOM 859 N ILE X 58 0.605 3.823 6.277 1.00 0.65 N ATOM 860 CA ILE X 58 0.784 2.497 6.866 1.00 0.66 C ATOM 861 C ILE X 58 2.257 2.155 7.087 1.00 0.68 C ATOM 862 O ILE X 58 3.137 2.635 6.374 1.00 0.70 O ATOM 863 CB ILE X 58 0.163 1.403 5.973 1.00 0.69 C ATOM 864 CG1 ILE X 58 -1.269 1.772 5.586 1.00 0.73 C ATOM 865 CG2 ILE X 58 0.183 0.058 6.689 1.00 0.74 C ATOM 866 CD1 ILE X 58 -1.923 0.759 4.672 1.00 1.59 C ATOM 0 H ILE X 58 1.305 4.077 5.580 1.00 0.65 H new ATOM 0 HA ILE X 58 0.278 2.527 7.831 1.00 0.66 H new ATOM 0 HB ILE X 58 0.759 1.325 5.064 1.00 0.69 H new ATOM 0 HG12 ILE X 58 -1.868 1.874 6.491 1.00 0.73 H new ATOM 0 HG13 ILE X 58 -1.266 2.745 5.095 1.00 0.73 H new ATOM 0 HG21 ILE X 58 -0.259 -0.703 6.046 1.00 0.74 H new ATOM 0 HG22 ILE X 58 1.212 -0.215 6.921 1.00 0.74 H new ATOM 0 HG23 ILE X 58 -0.390 0.129 7.613 1.00 0.74 H new ATOM 0 HD11 ILE X 58 -2.937 1.082 4.437 1.00 1.59 H new ATOM 0 HD12 ILE X 58 -1.346 0.674 3.751 1.00 1.59 H new ATOM 0 HD13 ILE X 58 -1.958 -0.211 5.169 1.00 1.59 H new ATOM 878 N SER X 59 2.502 1.288 8.068 1.00 0.70 N ATOM 879 CA SER X 59 3.850 0.829 8.384 1.00 0.73 C ATOM 880 C SER X 59 3.858 -0.695 8.463 1.00 0.74 C ATOM 881 O SER X 59 2.978 -1.292 9.083 1.00 0.81 O ATOM 882 CB SER X 59 4.329 1.427 9.707 1.00 0.80 C ATOM 883 OG SER X 59 3.898 2.770 9.844 1.00 1.43 O ATOM 0 H SER X 59 1.776 0.887 8.662 1.00 0.70 H new ATOM 0 HA SER X 59 4.530 1.158 7.598 1.00 0.73 H new ATOM 0 HB2 SER X 59 3.948 0.833 10.538 1.00 0.80 H new ATOM 0 HB3 SER X 59 5.417 1.384 9.757 1.00 0.80 H new ATOM 0 HG SER X 59 4.215 3.130 10.699 1.00 1.43 H new ATOM 889 N VAL X 60 4.837 -1.324 7.824 1.00 0.70 N ATOM 890 CA VAL X 60 4.928 -2.785 7.819 1.00 0.73 C ATOM 891 C VAL X 60 6.326 -3.230 8.205 1.00 0.72 C ATOM 892 O VAL X 60 7.246 -2.411 8.299 1.00 0.72 O ATOM 893 CB VAL X 60 4.540 -3.442 6.460 1.00 0.75 C ATOM 894 CG1 VAL X 60 3.730 -4.710 6.697 1.00 0.84 C ATOM 895 CG2 VAL X 60 3.771 -2.483 5.554 1.00 0.78 C ATOM 0 H VAL X 60 5.577 -0.852 7.304 1.00 0.70 H new ATOM 0 HA VAL X 60 4.198 -3.124 8.554 1.00 0.73 H new ATOM 0 HB VAL X 60 5.467 -3.698 5.948 1.00 0.75 H new ATOM 0 HG11 VAL X 60 3.466 -5.158 5.739 1.00 0.84 H new ATOM 0 HG12 VAL X 60 4.323 -5.417 7.277 1.00 0.84 H new ATOM 0 HG13 VAL X 60 2.821 -4.464 7.245 1.00 0.84 H new ATOM 0 HG21 VAL X 60 3.523 -2.986 4.619 1.00 0.78 H new ATOM 0 HG22 VAL X 60 2.854 -2.169 6.052 1.00 0.78 H new ATOM 0 HG23 VAL X 60 4.387 -1.609 5.343 1.00 0.78 H new ATOM 905 N LYS X 61 6.485 -4.523 8.438 1.00 0.78 N ATOM 906 CA LYS X 61 7.780 -5.075 8.801 1.00 0.80 C ATOM 907 C LYS X 61 8.344 -5.935 7.663 1.00 0.83 C ATOM 908 O LYS X 61 7.635 -6.763 7.090 1.00 0.94 O ATOM 909 CB LYS X 61 7.649 -5.917 10.070 1.00 0.96 C ATOM 910 CG LYS X 61 7.208 -5.118 11.284 1.00 1.07 C ATOM 911 CD LYS X 61 7.093 -5.997 12.518 1.00 1.32 C ATOM 912 CE LYS X 61 6.651 -5.194 13.731 1.00 1.81 C ATOM 913 NZ LYS X 61 6.327 -6.069 14.893 1.00 2.33 N ATOM 0 H LYS X 61 5.733 -5.210 8.382 1.00 0.78 H new ATOM 0 HA LYS X 61 8.467 -4.249 8.983 1.00 0.80 H new ATOM 0 HB2 LYS X 61 6.932 -6.719 9.892 1.00 0.96 H new ATOM 0 HB3 LYS X 61 8.608 -6.389 10.284 1.00 0.96 H new ATOM 0 HG2 LYS X 61 7.922 -4.317 11.472 1.00 1.07 H new ATOM 0 HG3 LYS X 61 6.246 -4.647 11.081 1.00 1.07 H new ATOM 0 HD2 LYS X 61 6.379 -6.799 12.330 1.00 1.32 H new ATOM 0 HD3 LYS X 61 8.055 -6.468 12.722 1.00 1.32 H new ATOM 0 HE2 LYS X 61 7.441 -4.497 14.011 1.00 1.81 H new ATOM 0 HE3 LYS X 61 5.776 -4.597 13.472 1.00 1.81 H new ATOM 0 HZ1 LYS X 61 6.030 -5.481 15.698 1.00 2.33 H new ATOM 0 HZ2 LYS X 61 5.556 -6.717 14.635 1.00 2.33 H new ATOM 0 HZ3 LYS X 61 7.168 -6.620 15.158 1.00 2.33 H new ATOM 927 N ASN X 62 9.636 -5.759 7.369 1.00 0.89 N ATOM 928 CA ASN X 62 10.324 -6.546 6.329 1.00 1.07 C ATOM 929 C ASN X 62 10.931 -7.813 6.928 1.00 0.89 C ATOM 930 O ASN X 62 11.889 -8.363 6.383 1.00 1.00 O ATOM 931 CB ASN X 62 11.447 -5.759 5.685 1.00 1.53 C ATOM 932 CG ASN X 62 11.011 -4.804 4.601 1.00 1.89 C ATOM 933 OD1 ASN X 62 11.300 -5.008 3.424 1.00 2.36 O ATOM 934 ND2 ASN X 62 10.355 -3.735 4.997 1.00 2.30 N ATOM 0 H ASN X 62 10.233 -5.076 7.836 1.00 0.89 H new ATOM 0 HA ASN X 62 9.574 -6.796 5.579 1.00 1.07 H new ATOM 0 HB2 ASN X 62 11.967 -5.195 6.459 1.00 1.53 H new ATOM 0 HB3 ASN X 62 12.168 -6.460 5.264 1.00 1.53 H new ATOM 0 HD21 ASN X 62 10.064 -3.034 4.316 1.00 2.30 H new ATOM 0 HD22 ASN X 62 10.137 -3.607 5.985 1.00 2.30 H new ATOM 941 N ALA X 63 10.423 -8.227 8.083 1.00 0.78 N ATOM 942 CA ALA X 63 10.939 -9.400 8.788 1.00 0.89 C ATOM 943 C ALA X 63 11.038 -10.627 7.881 1.00 0.82 C ATOM 944 O ALA X 63 11.816 -11.542 8.152 1.00 0.93 O ATOM 945 CB ALA X 63 10.059 -9.709 9.989 1.00 1.09 C ATOM 0 H ALA X 63 9.647 -7.764 8.557 1.00 0.78 H new ATOM 0 HA ALA X 63 11.949 -9.163 9.121 1.00 0.89 H new ATOM 0 HB1 ALA X 63 10.448 -10.584 10.510 1.00 1.09 H new ATOM 0 HB2 ALA X 63 10.055 -8.855 10.666 1.00 1.09 H new ATOM 0 HB3 ALA X 63 9.042 -9.910 9.653 1.00 1.09 H new ATOM 951 N SER X 64 10.250 -10.651 6.809 1.00 0.72 N ATOM 952 CA SER X 64 10.267 -11.780 5.884 1.00 0.72 C ATOM 953 C SER X 64 10.832 -11.376 4.527 1.00 0.66 C ATOM 954 O SER X 64 10.317 -10.474 3.873 1.00 0.62 O ATOM 955 CB SER X 64 8.856 -12.351 5.707 1.00 0.80 C ATOM 956 OG SER X 64 7.987 -11.900 6.732 1.00 1.01 O ATOM 0 H SER X 64 9.597 -9.908 6.561 1.00 0.72 H new ATOM 0 HA SER X 64 10.913 -12.546 6.312 1.00 0.72 H new ATOM 0 HB2 SER X 64 8.461 -12.055 4.735 1.00 0.80 H new ATOM 0 HB3 SER X 64 8.898 -13.440 5.716 1.00 0.80 H new ATOM 0 HG SER X 64 7.417 -11.182 6.385 1.00 1.01 H new ATOM 962 N SER X 65 11.882 -12.078 4.102 1.00 0.67 N ATOM 963 CA SER X 65 12.524 -11.824 2.809 1.00 0.65 C ATOM 964 C SER X 65 11.663 -12.299 1.620 1.00 0.65 C ATOM 965 O SER X 65 12.087 -12.236 0.469 1.00 0.68 O ATOM 966 CB SER X 65 13.896 -12.499 2.767 1.00 0.77 C ATOM 967 OG SER X 65 13.921 -13.655 3.586 1.00 0.93 O ATOM 0 H SER X 65 12.310 -12.833 4.638 1.00 0.67 H new ATOM 0 HA SER X 65 12.640 -10.745 2.711 1.00 0.65 H new ATOM 0 HB2 SER X 65 14.139 -12.772 1.740 1.00 0.77 H new ATOM 0 HB3 SER X 65 14.660 -11.797 3.100 1.00 0.77 H new ATOM 0 HG SER X 65 14.808 -14.069 3.541 1.00 0.93 H new ATOM 973 N GLU X 66 10.455 -12.776 1.890 1.00 0.68 N ATOM 974 CA GLU X 66 9.563 -13.233 0.837 1.00 0.75 C ATOM 975 C GLU X 66 8.408 -12.245 0.623 1.00 0.71 C ATOM 976 O GLU X 66 7.461 -12.547 -0.102 1.00 0.82 O ATOM 977 CB GLU X 66 9.018 -14.622 1.164 1.00 0.89 C ATOM 978 CG GLU X 66 10.075 -15.712 1.095 1.00 0.99 C ATOM 979 CD GLU X 66 9.501 -17.095 1.328 1.00 1.52 C ATOM 980 OE1 GLU X 66 8.574 -17.485 0.587 1.00 2.22 O ATOM 981 OE2 GLU X 66 9.978 -17.789 2.251 1.00 2.02 O ATOM 0 H GLU X 66 10.071 -12.856 2.832 1.00 0.68 H new ATOM 0 HA GLU X 66 10.137 -13.289 -0.088 1.00 0.75 H new ATOM 0 HB2 GLU X 66 8.584 -14.609 2.164 1.00 0.89 H new ATOM 0 HB3 GLU X 66 8.212 -14.862 0.470 1.00 0.89 H new ATOM 0 HG2 GLU X 66 10.559 -15.683 0.119 1.00 0.99 H new ATOM 0 HG3 GLU X 66 10.846 -15.513 1.839 1.00 0.99 H new ATOM 988 N TYR X 67 8.467 -11.076 1.278 1.00 0.62 N ATOM 989 CA TYR X 67 7.393 -10.089 1.160 1.00 0.67 C ATOM 990 C TYR X 67 7.580 -9.189 -0.062 1.00 0.60 C ATOM 991 O TYR X 67 7.632 -7.963 0.049 1.00 0.59 O ATOM 992 CB TYR X 67 7.286 -9.240 2.438 1.00 0.76 C ATOM 993 CG TYR X 67 6.204 -9.686 3.394 1.00 0.91 C ATOM 994 CD1 TYR X 67 4.839 -9.566 3.052 1.00 1.47 C ATOM 995 CD2 TYR X 67 6.534 -10.214 4.662 1.00 1.64 C ATOM 996 CE1 TYR X 67 3.831 -9.964 3.947 1.00 1.62 C ATOM 997 CE2 TYR X 67 5.532 -10.618 5.561 1.00 1.79 C ATOM 998 CZ TYR X 67 4.183 -10.491 5.199 1.00 1.34 C ATOM 999 OH TYR X 67 3.200 -10.883 6.077 1.00 1.59 O ATOM 0 H TYR X 67 9.237 -10.797 1.886 1.00 0.62 H new ATOM 0 HA TYR X 67 6.462 -10.641 1.027 1.00 0.67 H new ATOM 0 HB2 TYR X 67 8.244 -9.263 2.957 1.00 0.76 H new ATOM 0 HB3 TYR X 67 7.101 -8.203 2.157 1.00 0.76 H new ATOM 0 HD1 TYR X 67 4.566 -9.162 2.088 1.00 1.47 H new ATOM 0 HD2 TYR X 67 7.572 -10.309 4.945 1.00 1.64 H new ATOM 0 HE1 TYR X 67 2.791 -9.865 3.673 1.00 1.62 H new ATOM 0 HE2 TYR X 67 5.799 -11.024 6.525 1.00 1.79 H new ATOM 0 HH TYR X 67 3.612 -11.226 6.897 1.00 1.59 H new ATOM 1009 N SER X 68 7.656 -9.804 -1.234 1.00 0.62 N ATOM 1010 CA SER X 68 7.802 -9.056 -2.476 1.00 0.61 C ATOM 1011 C SER X 68 6.544 -9.216 -3.318 1.00 0.72 C ATOM 1012 O SER X 68 6.236 -10.315 -3.780 1.00 0.86 O ATOM 1013 CB SER X 68 9.028 -9.535 -3.257 1.00 0.71 C ATOM 1014 OG SER X 68 9.119 -8.884 -4.513 1.00 1.52 O ATOM 0 H SER X 68 7.619 -10.817 -1.351 1.00 0.62 H new ATOM 0 HA SER X 68 7.944 -8.002 -2.237 1.00 0.61 H new ATOM 0 HB2 SER X 68 9.931 -9.342 -2.677 1.00 0.71 H new ATOM 0 HB3 SER X 68 8.970 -10.613 -3.406 1.00 0.71 H new ATOM 0 HG SER X 68 9.911 -9.206 -4.992 1.00 1.52 H new ATOM 1020 N GLY X 69 5.810 -8.122 -3.505 1.00 0.71 N ATOM 1021 CA GLY X 69 4.588 -8.190 -4.280 1.00 0.89 C ATOM 1022 C GLY X 69 4.202 -6.865 -4.897 1.00 0.67 C ATOM 1023 O GLY X 69 4.773 -5.822 -4.569 1.00 0.54 O ATOM 0 H GLY X 69 6.039 -7.199 -3.137 1.00 0.71 H new ATOM 0 HA2 GLY X 69 4.707 -8.931 -5.070 1.00 0.89 H new ATOM 0 HA3 GLY X 69 3.777 -8.535 -3.639 1.00 0.89 H new ATOM 1027 N THR X 70 3.224 -6.912 -5.791 1.00 0.77 N ATOM 1028 CA THR X 70 2.746 -5.714 -6.463 1.00 0.75 C ATOM 1029 C THR X 70 1.483 -5.193 -5.789 1.00 0.82 C ATOM 1030 O THR X 70 0.420 -5.806 -5.881 1.00 1.12 O ATOM 1031 CB THR X 70 2.472 -6.011 -7.939 1.00 1.07 C ATOM 1032 OG1 THR X 70 2.086 -7.364 -8.116 1.00 1.30 O ATOM 1033 CG2 THR X 70 3.666 -5.753 -8.833 1.00 1.28 C ATOM 0 H THR X 70 2.746 -7.770 -6.067 1.00 0.77 H new ATOM 0 HA THR X 70 3.517 -4.947 -6.395 1.00 0.75 H new ATOM 0 HB THR X 70 1.670 -5.331 -8.226 1.00 1.07 H new ATOM 0 HG1 THR X 70 1.914 -7.533 -9.066 1.00 1.30 H new ATOM 0 HG21 THR X 70 3.404 -5.983 -9.866 1.00 1.28 H new ATOM 0 HG22 THR X 70 3.957 -4.705 -8.758 1.00 1.28 H new ATOM 0 HG23 THR X 70 4.498 -6.384 -8.520 1.00 1.28 H new ATOM 1041 N TYR X 71 1.607 -4.057 -5.114 1.00 0.80 N ATOM 1042 CA TYR X 71 0.476 -3.452 -4.425 1.00 1.07 C ATOM 1043 C TYR X 71 -0.337 -2.581 -5.376 1.00 0.73 C ATOM 1044 O TYR X 71 0.055 -2.355 -6.520 1.00 0.63 O ATOM 1045 CB TYR X 71 0.957 -2.625 -3.229 1.00 1.66 C ATOM 1046 CG TYR X 71 0.813 -3.328 -1.900 1.00 2.35 C ATOM 1047 CD1 TYR X 71 1.238 -4.665 -1.729 1.00 2.91 C ATOM 1048 CD2 TYR X 71 0.247 -2.657 -0.792 1.00 3.01 C ATOM 1049 CE1 TYR X 71 1.100 -5.314 -0.489 1.00 3.58 C ATOM 1050 CE2 TYR X 71 0.108 -3.297 0.449 1.00 3.65 C ATOM 1051 CZ TYR X 71 0.535 -4.626 0.596 1.00 3.77 C ATOM 1052 OH TYR X 71 0.399 -5.257 1.811 1.00 4.50 O ATOM 0 H TYR X 71 2.480 -3.537 -5.029 1.00 0.80 H new ATOM 0 HA TYR X 71 -0.166 -4.254 -4.061 1.00 1.07 H new ATOM 0 HB2 TYR X 71 2.004 -2.363 -3.379 1.00 1.66 H new ATOM 0 HB3 TYR X 71 0.397 -1.691 -3.197 1.00 1.66 H new ATOM 0 HD1 TYR X 71 1.675 -5.196 -2.562 1.00 2.91 H new ATOM 0 HD2 TYR X 71 -0.084 -1.635 -0.902 1.00 3.01 H new ATOM 0 HE1 TYR X 71 1.427 -6.337 -0.372 1.00 3.58 H new ATOM 0 HE2 TYR X 71 -0.325 -2.770 1.286 1.00 3.65 H new ATOM 0 HH TYR X 71 -0.009 -4.641 2.455 1.00 4.50 H new ATOM 1062 N SER X 72 -1.476 -2.102 -4.900 1.00 0.83 N ATOM 1063 CA SER X 72 -2.339 -1.259 -5.714 1.00 0.75 C ATOM 1064 C SER X 72 -3.340 -0.509 -4.846 1.00 0.64 C ATOM 1065 O SER X 72 -3.745 -0.990 -3.787 1.00 0.74 O ATOM 1066 CB SER X 72 -3.074 -2.095 -6.763 1.00 1.13 C ATOM 1067 OG SER X 72 -3.314 -1.340 -7.938 1.00 1.60 O ATOM 0 H SER X 72 -1.824 -2.281 -3.958 1.00 0.83 H new ATOM 0 HA SER X 72 -1.711 -0.529 -6.225 1.00 0.75 H new ATOM 0 HB2 SER X 72 -2.484 -2.978 -7.008 1.00 1.13 H new ATOM 0 HB3 SER X 72 -4.021 -2.448 -6.354 1.00 1.13 H new ATOM 0 HG SER X 72 -3.301 -0.384 -7.721 1.00 1.60 H new ATOM 1073 N CYS X 73 -3.735 0.670 -5.302 1.00 0.57 N ATOM 1074 CA CYS X 73 -4.690 1.492 -4.572 1.00 0.50 C ATOM 1075 C CYS X 73 -5.852 1.885 -5.477 1.00 0.51 C ATOM 1076 O CYS X 73 -5.662 2.129 -6.664 1.00 0.61 O ATOM 1077 CB CYS X 73 -3.997 2.742 -4.030 1.00 0.57 C ATOM 1078 SG CYS X 73 -4.530 3.227 -2.364 1.00 0.75 S ATOM 0 H CYS X 73 -3.408 1.081 -6.177 1.00 0.57 H new ATOM 0 HA CYS X 73 -5.082 0.914 -3.735 1.00 0.50 H new ATOM 0 HB2 CYS X 73 -2.921 2.571 -4.019 1.00 0.57 H new ATOM 0 HB3 CYS X 73 -4.181 3.571 -4.714 1.00 0.57 H new ATOM 1083 N THR X 74 -7.054 1.944 -4.918 1.00 0.51 N ATOM 1084 CA THR X 74 -8.230 2.312 -5.699 1.00 0.57 C ATOM 1085 C THR X 74 -9.074 3.346 -4.961 1.00 0.55 C ATOM 1086 O THR X 74 -9.403 3.174 -3.787 1.00 0.59 O ATOM 1087 CB THR X 74 -9.072 1.072 -6.034 1.00 0.66 C ATOM 1088 OG1 THR X 74 -8.534 -0.090 -5.426 1.00 1.16 O ATOM 1089 CG2 THR X 74 -9.163 0.803 -7.521 1.00 1.14 C ATOM 0 H THR X 74 -7.241 1.744 -3.935 1.00 0.51 H new ATOM 0 HA THR X 74 -7.886 2.757 -6.633 1.00 0.57 H new ATOM 0 HB THR X 74 -10.068 1.290 -5.649 1.00 0.66 H new ATOM 0 HG1 THR X 74 -8.916 -0.197 -4.530 1.00 1.16 H new ATOM 0 HG21 THR X 74 -9.771 -0.085 -7.694 1.00 1.14 H new ATOM 0 HG22 THR X 74 -9.621 1.658 -8.018 1.00 1.14 H new ATOM 0 HG23 THR X 74 -8.163 0.642 -7.924 1.00 1.14 H new ATOM 1097 N VAL X 75 -9.426 4.417 -5.663 1.00 0.58 N ATOM 1098 CA VAL X 75 -10.238 5.482 -5.087 1.00 0.61 C ATOM 1099 C VAL X 75 -11.399 5.801 -6.011 1.00 0.63 C ATOM 1100 O VAL X 75 -11.262 5.736 -7.233 1.00 0.73 O ATOM 1101 CB VAL X 75 -9.433 6.774 -4.846 1.00 0.73 C ATOM 1102 CG1 VAL X 75 -10.153 7.666 -3.846 1.00 0.75 C ATOM 1103 CG2 VAL X 75 -8.011 6.465 -4.384 1.00 0.93 C ATOM 0 H VAL X 75 -9.160 4.571 -6.636 1.00 0.58 H new ATOM 0 HA VAL X 75 -10.596 5.120 -4.123 1.00 0.61 H new ATOM 0 HB VAL X 75 -9.357 7.309 -5.793 1.00 0.73 H new ATOM 0 HG11 VAL X 75 -9.573 8.575 -3.685 1.00 0.75 H new ATOM 0 HG12 VAL X 75 -11.137 7.928 -4.235 1.00 0.75 H new ATOM 0 HG13 VAL X 75 -10.265 7.136 -2.900 1.00 0.75 H new ATOM 0 HG21 VAL X 75 -7.470 7.397 -4.223 1.00 0.93 H new ATOM 0 HG22 VAL X 75 -8.046 5.900 -3.452 1.00 0.93 H new ATOM 0 HG23 VAL X 75 -7.501 5.876 -5.146 1.00 0.93 H new ATOM 1113 N ARG X 76 -12.544 6.136 -5.437 1.00 0.62 N ATOM 1114 CA ARG X 76 -13.712 6.448 -6.244 1.00 0.73 C ATOM 1115 C ARG X 76 -14.466 7.655 -5.712 1.00 0.78 C ATOM 1116 O ARG X 76 -15.276 7.537 -4.792 1.00 1.11 O ATOM 1117 CB ARG X 76 -14.653 5.250 -6.290 1.00 1.01 C ATOM 1118 CG ARG X 76 -13.979 3.963 -6.731 1.00 1.21 C ATOM 1119 CD ARG X 76 -14.974 2.820 -6.823 1.00 1.70 C ATOM 1120 NE ARG X 76 -14.531 1.788 -7.758 1.00 2.23 N ATOM 1121 CZ ARG X 76 -15.337 0.873 -8.296 1.00 2.75 C ATOM 1122 NH1 ARG X 76 -16.624 0.827 -7.968 1.00 3.03 N ATOM 1123 NH2 ARG X 76 -14.852 -0.003 -9.164 1.00 3.54 N ATOM 0 H ARG X 76 -12.689 6.198 -4.429 1.00 0.62 H new ATOM 0 HA ARG X 76 -13.357 6.684 -7.247 1.00 0.73 H new ATOM 0 HB2 ARG X 76 -15.088 5.102 -5.301 1.00 1.01 H new ATOM 0 HB3 ARG X 76 -15.476 5.471 -6.970 1.00 1.01 H new ATOM 0 HG2 ARG X 76 -13.504 4.113 -7.701 1.00 1.21 H new ATOM 0 HG3 ARG X 76 -13.189 3.704 -6.026 1.00 1.21 H new ATOM 0 HD2 ARG X 76 -15.114 2.380 -5.836 1.00 1.70 H new ATOM 0 HD3 ARG X 76 -15.943 3.206 -7.140 1.00 1.70 H new ATOM 0 HE ARG X 76 -13.544 1.767 -8.015 1.00 2.23 H new ATOM 0 HH11 ARG X 76 -17.004 1.496 -7.298 1.00 3.03 H new ATOM 0 HH12 ARG X 76 -17.232 0.123 -8.386 1.00 3.03 H new ATOM 0 HH21 ARG X 76 -13.865 0.024 -9.418 1.00 3.54 H new ATOM 0 HH22 ARG X 76 -15.466 -0.705 -9.578 1.00 3.54 H new ATOM 1137 N ASN X 77 -14.225 8.811 -6.315 1.00 0.72 N ATOM 1138 CA ASN X 77 -14.913 10.024 -5.920 1.00 0.87 C ATOM 1139 C ASN X 77 -15.570 10.645 -7.144 1.00 0.96 C ATOM 1140 O ASN X 77 -14.971 10.684 -8.219 1.00 1.05 O ATOM 1141 CB ASN X 77 -13.935 11.014 -5.285 1.00 1.00 C ATOM 1142 CG ASN X 77 -14.604 11.912 -4.263 1.00 1.71 C ATOM 1143 OD1 ASN X 77 -15.626 11.553 -3.678 1.00 2.32 O ATOM 1144 ND2 ASN X 77 -14.028 13.088 -4.039 1.00 2.40 N ATOM 0 H ASN X 77 -13.559 8.930 -7.078 1.00 0.72 H new ATOM 0 HA ASN X 77 -15.676 9.780 -5.180 1.00 0.87 H new ATOM 0 HB2 ASN X 77 -13.125 10.464 -4.806 1.00 1.00 H new ATOM 0 HB3 ASN X 77 -13.486 11.628 -6.065 1.00 1.00 H new ATOM 0 HD21 ASN X 77 -14.432 13.733 -3.360 1.00 2.40 H new ATOM 0 HD22 ASN X 77 -13.181 13.346 -4.546 1.00 2.40 H new ATOM 1151 N ARG X 78 -16.800 11.139 -6.985 1.00 1.55 N ATOM 1152 CA ARG X 78 -17.526 11.769 -8.097 1.00 1.69 C ATOM 1153 C ARG X 78 -16.624 12.778 -8.808 1.00 1.23 C ATOM 1154 O ARG X 78 -16.707 12.976 -10.020 1.00 1.12 O ATOM 1155 CB ARG X 78 -18.777 12.474 -7.574 1.00 2.53 C ATOM 1156 CG ARG X 78 -19.819 11.526 -7.006 1.00 3.28 C ATOM 1157 CD ARG X 78 -21.035 12.284 -6.501 1.00 4.01 C ATOM 1158 NE ARG X 78 -22.192 11.409 -6.321 1.00 4.70 N ATOM 1159 CZ ARG X 78 -23.388 11.829 -5.909 1.00 5.38 C ATOM 1160 NH1 ARG X 78 -23.586 13.105 -5.594 1.00 5.54 N ATOM 1161 NH2 ARG X 78 -24.390 10.968 -5.808 1.00 6.20 N ATOM 0 H ARG X 78 -17.314 11.117 -6.104 1.00 1.55 H new ATOM 0 HA ARG X 78 -17.822 10.995 -8.805 1.00 1.69 H new ATOM 0 HB2 ARG X 78 -18.486 13.186 -6.801 1.00 2.53 H new ATOM 0 HB3 ARG X 78 -19.225 13.049 -8.384 1.00 2.53 H new ATOM 0 HG2 ARG X 78 -20.124 10.814 -7.773 1.00 3.28 H new ATOM 0 HG3 ARG X 78 -19.383 10.948 -6.191 1.00 3.28 H new ATOM 0 HD2 ARG X 78 -20.794 12.765 -5.553 1.00 4.01 H new ATOM 0 HD3 ARG X 78 -21.286 13.076 -7.206 1.00 4.01 H new ATOM 0 HE ARG X 78 -22.077 10.416 -6.523 1.00 4.70 H new ATOM 0 HH11 ARG X 78 -22.819 13.773 -5.667 1.00 5.54 H new ATOM 0 HH12 ARG X 78 -24.505 13.416 -5.280 1.00 5.54 H new ATOM 0 HH21 ARG X 78 -24.245 9.987 -6.045 1.00 6.20 H new ATOM 0 HH22 ARG X 78 -25.306 11.287 -5.493 1.00 6.20 H new ATOM 1175 N VAL X 79 -15.748 13.383 -8.020 1.00 1.52 N ATOM 1176 CA VAL X 79 -14.788 14.348 -8.498 1.00 1.97 C ATOM 1177 C VAL X 79 -13.396 13.718 -8.524 1.00 2.23 C ATOM 1178 O VAL X 79 -12.464 14.223 -7.893 1.00 3.20 O ATOM 1179 CB VAL X 79 -14.774 15.602 -7.606 1.00 2.97 C ATOM 1180 CG1 VAL X 79 -16.028 16.433 -7.830 1.00 3.33 C ATOM 1181 CG2 VAL X 79 -14.636 15.208 -6.143 1.00 3.24 C ATOM 0 H VAL X 79 -15.689 13.210 -7.017 1.00 1.52 H new ATOM 0 HA VAL X 79 -15.075 14.648 -9.506 1.00 1.97 H new ATOM 0 HB VAL X 79 -13.913 16.213 -7.878 1.00 2.97 H new ATOM 0 HG11 VAL X 79 -15.999 17.315 -7.190 1.00 3.33 H new ATOM 0 HG12 VAL X 79 -16.077 16.743 -8.874 1.00 3.33 H new ATOM 0 HG13 VAL X 79 -16.908 15.837 -7.587 1.00 3.33 H new ATOM 0 HG21 VAL X 79 -14.628 16.105 -5.524 1.00 3.24 H new ATOM 0 HG22 VAL X 79 -15.477 14.577 -5.855 1.00 3.24 H new ATOM 0 HG23 VAL X 79 -13.705 14.660 -6.000 1.00 3.24 H new ATOM 1191 N GLY X 80 -13.257 12.591 -9.232 1.00 1.76 N ATOM 1192 CA GLY X 80 -11.967 11.916 -9.274 1.00 2.51 C ATOM 1193 C GLY X 80 -11.985 10.455 -8.834 1.00 2.06 C ATOM 1194 O GLY X 80 -11.377 10.083 -7.831 1.00 2.55 O ATOM 0 H GLY X 80 -14.001 12.143 -9.767 1.00 1.76 H new ATOM 0 HA2 GLY X 80 -11.581 11.968 -10.292 1.00 2.51 H new ATOM 0 HA3 GLY X 80 -11.268 12.462 -8.640 1.00 2.51 H new ATOM 1198 N SER X 81 -12.672 9.614 -9.599 1.00 1.25 N ATOM 1199 CA SER X 81 -12.716 8.186 -9.302 1.00 0.99 C ATOM 1200 C SER X 81 -11.724 7.459 -10.207 1.00 0.84 C ATOM 1201 O SER X 81 -11.930 7.368 -11.417 1.00 1.01 O ATOM 1202 CB SER X 81 -14.127 7.630 -9.500 1.00 1.33 C ATOM 1203 OG SER X 81 -14.716 8.143 -10.683 1.00 1.96 O ATOM 0 H SER X 81 -13.203 9.893 -10.424 1.00 1.25 H new ATOM 0 HA SER X 81 -12.442 8.029 -8.259 1.00 0.99 H new ATOM 0 HB2 SER X 81 -14.089 6.542 -9.551 1.00 1.33 H new ATOM 0 HB3 SER X 81 -14.746 7.887 -8.641 1.00 1.33 H new ATOM 0 HG SER X 81 -14.059 8.124 -11.410 1.00 1.96 H new ATOM 1209 N ASP X 82 -10.629 6.969 -9.622 1.00 0.81 N ATOM 1210 CA ASP X 82 -9.597 6.286 -10.398 1.00 1.05 C ATOM 1211 C ASP X 82 -8.863 5.233 -9.569 1.00 0.86 C ATOM 1212 O ASP X 82 -9.270 4.903 -8.456 1.00 0.86 O ATOM 1213 CB ASP X 82 -8.597 7.310 -10.939 1.00 1.47 C ATOM 1214 CG ASP X 82 -9.280 8.467 -11.642 1.00 1.88 C ATOM 1215 OD1 ASP X 82 -9.949 8.226 -12.669 1.00 2.34 O ATOM 1216 OD2 ASP X 82 -9.149 9.613 -11.164 1.00 2.31 O ATOM 0 H ASP X 82 -10.437 7.032 -8.622 1.00 0.81 H new ATOM 0 HA ASP X 82 -10.088 5.772 -11.225 1.00 1.05 H new ATOM 0 HB2 ASP X 82 -7.993 7.693 -10.117 1.00 1.47 H new ATOM 0 HB3 ASP X 82 -7.916 6.817 -11.633 1.00 1.47 H new ATOM 1221 N GLN X 83 -7.778 4.705 -10.134 1.00 0.87 N ATOM 1222 CA GLN X 83 -6.977 3.683 -9.471 1.00 0.84 C ATOM 1223 C GLN X 83 -5.551 4.173 -9.223 1.00 0.81 C ATOM 1224 O GLN X 83 -5.233 5.340 -9.453 1.00 0.94 O ATOM 1225 CB GLN X 83 -6.951 2.409 -10.314 1.00 1.14 C ATOM 1226 CG GLN X 83 -8.330 1.947 -10.749 1.00 1.26 C ATOM 1227 CD GLN X 83 -8.338 1.387 -12.156 1.00 1.70 C ATOM 1228 OE1 GLN X 83 -7.285 1.168 -12.755 1.00 1.92 O ATOM 1229 NE2 GLN X 83 -9.529 1.161 -12.696 1.00 2.16 N ATOM 0 H GLN X 83 -7.434 4.972 -11.056 1.00 0.87 H new ATOM 0 HA GLN X 83 -7.435 3.468 -8.506 1.00 0.84 H new ATOM 0 HB2 GLN X 83 -6.337 2.580 -11.198 1.00 1.14 H new ATOM 0 HB3 GLN X 83 -6.473 1.614 -9.743 1.00 1.14 H new ATOM 0 HG2 GLN X 83 -8.690 1.186 -10.057 1.00 1.26 H new ATOM 0 HG3 GLN X 83 -9.025 2.785 -10.691 1.00 1.26 H new ATOM 0 HE21 GLN X 83 -10.376 1.357 -12.163 1.00 2.16 H new ATOM 0 HE22 GLN X 83 -9.597 0.791 -13.644 1.00 2.16 H new ATOM 1238 N CYS X 84 -4.705 3.272 -8.734 1.00 0.78 N ATOM 1239 CA CYS X 84 -3.315 3.596 -8.428 1.00 0.85 C ATOM 1240 C CYS X 84 -2.436 2.350 -8.454 1.00 0.78 C ATOM 1241 O CYS X 84 -2.928 1.224 -8.371 1.00 0.74 O ATOM 1242 CB CYS X 84 -3.227 4.254 -7.052 1.00 0.91 C ATOM 1243 SG CYS X 84 -3.025 6.060 -7.081 1.00 0.95 S ATOM 0 H CYS X 84 -4.960 2.304 -8.540 1.00 0.78 H new ATOM 0 HA CYS X 84 -2.954 4.285 -9.192 1.00 0.85 H new ATOM 0 HB2 CYS X 84 -4.130 4.013 -6.491 1.00 0.91 H new ATOM 0 HB3 CYS X 84 -2.389 3.818 -6.509 1.00 0.91 H new ATOM 1248 N LEU X 85 -1.128 2.566 -8.555 1.00 0.84 N ATOM 1249 CA LEU X 85 -0.170 1.469 -8.575 1.00 0.83 C ATOM 1250 C LEU X 85 0.850 1.624 -7.447 1.00 0.74 C ATOM 1251 O LEU X 85 1.611 2.591 -7.412 1.00 0.93 O ATOM 1252 CB LEU X 85 0.541 1.419 -9.928 1.00 1.08 C ATOM 1253 CG LEU X 85 -0.380 1.208 -11.131 1.00 1.26 C ATOM 1254 CD1 LEU X 85 0.391 1.368 -12.431 1.00 1.89 C ATOM 1255 CD2 LEU X 85 -1.037 -0.162 -11.064 1.00 1.51 C ATOM 0 H LEU X 85 -0.708 3.493 -8.624 1.00 0.84 H new ATOM 0 HA LEU X 85 -0.710 0.534 -8.424 1.00 0.83 H new ATOM 0 HB2 LEU X 85 1.090 2.350 -10.068 1.00 1.08 H new ATOM 0 HB3 LEU X 85 1.277 0.615 -9.906 1.00 1.08 H new ATOM 0 HG LEU X 85 -1.162 1.967 -11.102 1.00 1.26 H new ATOM 0 HD11 LEU X 85 -0.282 1.214 -13.274 1.00 1.89 H new ATOM 0 HD12 LEU X 85 0.813 2.371 -12.482 1.00 1.89 H new ATOM 0 HD13 LEU X 85 1.195 0.633 -12.470 1.00 1.89 H new ATOM 0 HD21 LEU X 85 -1.689 -0.296 -11.927 1.00 1.51 H new ATOM 0 HD22 LEU X 85 -0.268 -0.935 -11.067 1.00 1.51 H new ATOM 0 HD23 LEU X 85 -1.625 -0.239 -10.150 1.00 1.51 H new ATOM 1267 N LEU X 86 0.859 0.663 -6.529 1.00 0.58 N ATOM 1268 CA LEU X 86 1.783 0.681 -5.397 1.00 0.56 C ATOM 1269 C LEU X 86 2.681 -0.555 -5.428 1.00 0.52 C ATOM 1270 O LEU X 86 2.315 -1.574 -6.009 1.00 0.53 O ATOM 1271 CB LEU X 86 1.003 0.745 -4.082 1.00 0.61 C ATOM 1272 CG LEU X 86 0.269 2.061 -3.819 1.00 0.77 C ATOM 1273 CD1 LEU X 86 -0.582 1.952 -2.563 1.00 1.44 C ATOM 1274 CD2 LEU X 86 1.255 3.213 -3.697 1.00 1.31 C ATOM 0 H LEU X 86 0.234 -0.143 -6.546 1.00 0.58 H new ATOM 0 HA LEU X 86 2.413 1.567 -5.470 1.00 0.56 H new ATOM 0 HB2 LEU X 86 0.275 -0.066 -4.071 1.00 0.61 H new ATOM 0 HB3 LEU X 86 1.695 0.564 -3.259 1.00 0.61 H new ATOM 0 HG LEU X 86 -0.387 2.263 -4.666 1.00 0.77 H new ATOM 0 HD11 LEU X 86 -1.098 2.897 -2.390 1.00 1.44 H new ATOM 0 HD12 LEU X 86 -1.316 1.156 -2.689 1.00 1.44 H new ATOM 0 HD13 LEU X 86 0.057 1.726 -1.709 1.00 1.44 H new ATOM 0 HD21 LEU X 86 0.711 4.139 -3.510 1.00 1.31 H new ATOM 0 HD22 LEU X 86 1.939 3.021 -2.870 1.00 1.31 H new ATOM 0 HD23 LEU X 86 1.822 3.306 -4.623 1.00 1.31 H new ATOM 1286 N ARG X 87 3.866 -0.464 -4.831 1.00 0.52 N ATOM 1287 CA ARG X 87 4.792 -1.601 -4.843 1.00 0.52 C ATOM 1288 C ARG X 87 5.571 -1.747 -3.535 1.00 0.48 C ATOM 1289 O ARG X 87 5.978 -0.759 -2.929 1.00 0.50 O ATOM 1290 CB ARG X 87 5.761 -1.460 -6.014 1.00 0.62 C ATOM 1291 CG ARG X 87 6.685 -2.651 -6.192 1.00 0.66 C ATOM 1292 CD ARG X 87 7.375 -2.610 -7.543 1.00 0.95 C ATOM 1293 NE ARG X 87 8.714 -3.190 -7.495 1.00 1.56 N ATOM 1294 CZ ARG X 87 9.661 -2.955 -8.405 1.00 2.13 C ATOM 1295 NH1 ARG X 87 9.414 -2.176 -9.453 1.00 2.37 N ATOM 1296 NH2 ARG X 87 10.859 -3.504 -8.266 1.00 3.12 N ATOM 0 H ARG X 87 4.206 0.364 -4.342 1.00 0.52 H new ATOM 0 HA ARG X 87 4.192 -2.504 -4.956 1.00 0.52 H new ATOM 0 HB2 ARG X 87 5.190 -1.315 -6.931 1.00 0.62 H new ATOM 0 HB3 ARG X 87 6.363 -0.563 -5.869 1.00 0.62 H new ATOM 0 HG2 ARG X 87 7.432 -2.657 -5.399 1.00 0.66 H new ATOM 0 HG3 ARG X 87 6.114 -3.575 -6.100 1.00 0.66 H new ATOM 0 HD2 ARG X 87 6.773 -3.150 -8.273 1.00 0.95 H new ATOM 0 HD3 ARG X 87 7.440 -1.577 -7.885 1.00 0.95 H new ATOM 0 HE ARG X 87 8.939 -3.812 -6.719 1.00 1.56 H new ATOM 0 HH11 ARG X 87 8.494 -1.751 -9.567 1.00 2.37 H new ATOM 0 HH12 ARG X 87 10.145 -2.003 -10.143 1.00 2.37 H new ATOM 0 HH21 ARG X 87 11.055 -4.104 -7.465 1.00 3.12 H new ATOM 0 HH22 ARG X 87 11.585 -3.326 -8.960 1.00 3.12 H new ATOM 1310 N LEU X 88 5.785 -3.001 -3.121 1.00 0.49 N ATOM 1311 CA LEU X 88 6.527 -3.308 -1.896 1.00 0.49 C ATOM 1312 C LEU X 88 7.471 -4.482 -2.140 1.00 0.50 C ATOM 1313 O LEU X 88 7.106 -5.422 -2.848 1.00 0.57 O ATOM 1314 CB LEU X 88 5.550 -3.661 -0.775 1.00 0.55 C ATOM 1315 CG LEU X 88 4.748 -2.481 -0.214 1.00 0.65 C ATOM 1316 CD1 LEU X 88 3.279 -2.850 -0.037 1.00 1.56 C ATOM 1317 CD2 LEU X 88 5.342 -2.009 1.107 1.00 1.38 C ATOM 0 H LEU X 88 5.451 -3.824 -3.622 1.00 0.49 H new ATOM 0 HA LEU X 88 7.110 -2.434 -1.606 1.00 0.49 H new ATOM 0 HB2 LEU X 88 4.851 -4.411 -1.146 1.00 0.55 H new ATOM 0 HB3 LEU X 88 6.108 -4.121 0.040 1.00 0.55 H new ATOM 0 HG LEU X 88 4.807 -1.664 -0.933 1.00 0.65 H new ATOM 0 HD11 LEU X 88 2.734 -1.994 0.362 1.00 1.56 H new ATOM 0 HD12 LEU X 88 2.856 -3.132 -1.001 1.00 1.56 H new ATOM 0 HD13 LEU X 88 3.195 -3.688 0.655 1.00 1.56 H new ATOM 0 HD21 LEU X 88 4.759 -1.171 1.489 1.00 1.38 H new ATOM 0 HD22 LEU X 88 5.320 -2.826 1.828 1.00 1.38 H new ATOM 0 HD23 LEU X 88 6.373 -1.692 0.950 1.00 1.38 H new ATOM 1329 N ASN X 89 8.687 -4.446 -1.575 1.00 0.45 N ATOM 1330 CA ASN X 89 9.621 -5.548 -1.796 1.00 0.48 C ATOM 1331 C ASN X 89 10.480 -5.866 -0.570 1.00 0.43 C ATOM 1332 O ASN X 89 11.184 -4.999 -0.034 1.00 0.50 O ATOM 1333 CB ASN X 89 10.514 -5.240 -2.997 1.00 0.54 C ATOM 1334 CG ASN X 89 11.155 -6.487 -3.572 1.00 0.67 C ATOM 1335 OD1 ASN X 89 11.406 -7.457 -2.857 1.00 1.22 O ATOM 1336 ND2 ASN X 89 11.418 -6.471 -4.874 1.00 1.18 N ATOM 0 H ASN X 89 9.034 -3.692 -0.982 1.00 0.45 H new ATOM 0 HA ASN X 89 9.020 -6.436 -1.993 1.00 0.48 H new ATOM 0 HB2 ASN X 89 9.923 -4.749 -3.770 1.00 0.54 H new ATOM 0 HB3 ASN X 89 11.293 -4.539 -2.697 1.00 0.54 H new ATOM 0 HD21 ASN X 89 11.844 -7.284 -5.318 1.00 1.18 H new ATOM 0 HD22 ASN X 89 11.193 -5.646 -5.430 1.00 1.18 H new ATOM 1343 N VAL X 90 10.433 -7.131 -0.142 1.00 0.41 N ATOM 1344 CA VAL X 90 11.234 -7.582 0.991 1.00 0.44 C ATOM 1345 C VAL X 90 11.994 -8.855 0.655 1.00 0.46 C ATOM 1346 O VAL X 90 11.378 -9.877 0.327 1.00 0.51 O ATOM 1347 CB VAL X 90 10.402 -7.826 2.245 1.00 0.55 C ATOM 1348 CG1 VAL X 90 11.319 -7.998 3.444 1.00 0.56 C ATOM 1349 CG2 VAL X 90 9.432 -6.689 2.463 1.00 0.94 C ATOM 0 H VAL X 90 9.851 -7.855 -0.563 1.00 0.41 H new ATOM 0 HA VAL X 90 11.934 -6.772 1.197 1.00 0.44 H new ATOM 0 HB VAL X 90 9.822 -8.740 2.118 1.00 0.55 H new ATOM 0 HG11 VAL X 90 10.720 -8.172 4.338 1.00 0.56 H new ATOM 0 HG12 VAL X 90 11.979 -8.849 3.278 1.00 0.56 H new ATOM 0 HG13 VAL X 90 11.916 -7.096 3.577 1.00 0.56 H new ATOM 0 HG21 VAL X 90 8.846 -6.878 3.362 1.00 0.94 H new ATOM 0 HG22 VAL X 90 9.985 -5.757 2.580 1.00 0.94 H new ATOM 0 HG23 VAL X 90 8.765 -6.610 1.605 1.00 0.94 H new ATOM 1359 N VAL X 91 13.325 -8.790 0.746 1.00 0.50 N ATOM 1360 CA VAL X 91 14.176 -9.936 0.435 1.00 0.57 C ATOM 1361 C VAL X 91 15.407 -9.987 1.366 1.00 0.61 C ATOM 1362 O VAL X 91 15.540 -9.158 2.265 1.00 0.65 O ATOM 1363 CB VAL X 91 14.583 -9.908 -1.075 1.00 0.66 C ATOM 1364 CG1 VAL X 91 13.404 -9.482 -1.943 1.00 0.69 C ATOM 1365 CG2 VAL X 91 15.778 -8.992 -1.331 1.00 0.73 C ATOM 0 H VAL X 91 13.835 -7.954 1.033 1.00 0.50 H new ATOM 0 HA VAL X 91 13.611 -10.851 0.613 1.00 0.57 H new ATOM 0 HB VAL X 91 14.879 -10.922 -1.344 1.00 0.66 H new ATOM 0 HG11 VAL X 91 13.709 -9.469 -2.990 1.00 0.69 H new ATOM 0 HG12 VAL X 91 12.583 -10.187 -1.813 1.00 0.69 H new ATOM 0 HG13 VAL X 91 13.077 -8.485 -1.648 1.00 0.69 H new ATOM 0 HG21 VAL X 91 16.025 -9.004 -2.393 1.00 0.73 H new ATOM 0 HG22 VAL X 91 15.528 -7.975 -1.028 1.00 0.73 H new ATOM 0 HG23 VAL X 91 16.635 -9.342 -0.755 1.00 0.73 H new ATOM 1375 N PRO X 92 16.319 -10.967 1.188 1.00 0.64 N ATOM 1376 CA PRO X 92 17.503 -11.085 2.025 1.00 0.70 C ATOM 1377 C PRO X 92 18.681 -10.290 1.466 1.00 0.83 C ATOM 1378 O PRO X 92 18.828 -10.165 0.250 1.00 1.00 O ATOM 1379 CB PRO X 92 17.783 -12.583 1.988 1.00 0.75 C ATOM 1380 CG PRO X 92 17.339 -13.018 0.631 1.00 0.78 C ATOM 1381 CD PRO X 92 16.280 -12.040 0.176 1.00 0.67 C ATOM 0 HA PRO X 92 17.356 -10.689 3.030 1.00 0.70 H new ATOM 0 HB2 PRO X 92 18.841 -12.792 2.144 1.00 0.75 H new ATOM 0 HB3 PRO X 92 17.235 -13.108 2.771 1.00 0.75 H new ATOM 0 HG2 PRO X 92 18.178 -13.028 -0.064 1.00 0.78 H new ATOM 0 HG3 PRO X 92 16.939 -14.032 0.663 1.00 0.78 H new ATOM 0 HD2 PRO X 92 16.495 -11.655 -0.821 1.00 0.67 H new ATOM 0 HD3 PRO X 92 15.297 -12.509 0.131 1.00 0.67 H new ATOM 1389 N PRO X 93 19.543 -9.734 2.342 1.00 0.98 N ATOM 1390 CA PRO X 93 20.700 -8.952 1.903 1.00 1.17 C ATOM 1391 C PRO X 93 21.760 -9.824 1.246 1.00 1.13 C ATOM 1392 O PRO X 93 22.309 -10.729 1.875 1.00 1.21 O ATOM 1393 CB PRO X 93 21.235 -8.343 3.200 1.00 1.47 C ATOM 1394 CG PRO X 93 20.796 -9.285 4.265 1.00 1.63 C ATOM 1395 CD PRO X 93 19.466 -9.820 3.816 1.00 1.17 C ATOM 0 HA PRO X 93 20.432 -8.209 1.152 1.00 1.17 H new ATOM 0 HB2 PRO X 93 22.321 -8.250 3.176 1.00 1.47 H new ATOM 0 HB3 PRO X 93 20.833 -7.343 3.364 1.00 1.47 H new ATOM 0 HG2 PRO X 93 21.518 -10.091 4.396 1.00 1.63 H new ATOM 0 HG3 PRO X 93 20.709 -8.776 5.225 1.00 1.63 H new ATOM 0 HD2 PRO X 93 19.311 -10.846 4.151 1.00 1.17 H new ATOM 0 HD3 PRO X 93 18.640 -9.228 4.211 1.00 1.17 H new ATOM 1403 N SER X 94 22.047 -9.547 -0.020 1.00 1.40 N ATOM 1404 CA SER X 94 23.045 -10.311 -0.752 1.00 1.70 C ATOM 1405 C SER X 94 24.446 -9.832 -0.395 1.00 1.83 C ATOM 1406 O SER X 94 24.949 -8.866 -0.970 1.00 1.98 O ATOM 1407 CB SER X 94 22.813 -10.184 -2.259 1.00 2.25 C ATOM 1408 OG SER X 94 21.442 -10.345 -2.579 1.00 2.90 O ATOM 0 H SER X 94 21.604 -8.802 -0.558 1.00 1.40 H new ATOM 0 HA SER X 94 22.952 -11.360 -0.471 1.00 1.70 H new ATOM 0 HB2 SER X 94 23.158 -9.209 -2.602 1.00 2.25 H new ATOM 0 HB3 SER X 94 23.403 -10.934 -2.786 1.00 2.25 H new ATOM 0 HG SER X 94 21.320 -10.258 -3.547 1.00 2.90 H new ATOM 1414 N ASN X 95 25.069 -10.513 0.560 1.00 2.12 N ATOM 1415 CA ASN X 95 26.411 -10.157 0.999 1.00 2.43 C ATOM 1416 C ASN X 95 27.445 -10.570 -0.040 1.00 2.73 C ATOM 1417 O ASN X 95 27.273 -11.571 -0.736 1.00 3.11 O ATOM 1418 CB ASN X 95 26.724 -10.823 2.341 1.00 3.04 C ATOM 1419 CG ASN X 95 25.760 -10.404 3.434 1.00 3.65 C ATOM 1420 OD1 ASN X 95 24.680 -9.880 3.159 1.00 4.01 O ATOM 1421 ND2 ASN X 95 26.149 -10.627 4.684 1.00 4.31 N ATOM 0 H ASN X 95 24.665 -11.315 1.044 1.00 2.12 H new ATOM 0 HA ASN X 95 26.454 -9.075 1.121 1.00 2.43 H new ATOM 0 HB2 ASN X 95 26.687 -11.906 2.223 1.00 3.04 H new ATOM 0 HB3 ASN X 95 27.741 -10.570 2.641 1.00 3.04 H new ATOM 0 HD21 ASN X 95 25.544 -10.361 5.461 1.00 4.31 H new ATOM 0 HD22 ASN X 95 27.052 -11.064 4.867 1.00 4.31 H new ATOM 1428 N LYS X 96 28.521 -9.797 -0.140 1.00 3.22 N ATOM 1429 CA LYS X 96 29.582 -10.091 -1.096 1.00 4.05 C ATOM 1430 C LYS X 96 30.832 -10.593 -0.382 1.00 4.70 C ATOM 1431 O LYS X 96 31.019 -10.239 0.801 1.00 5.13 O ATOM 1432 CB LYS X 96 29.919 -8.851 -1.927 1.00 4.62 C ATOM 1433 CG LYS X 96 28.715 -8.235 -2.623 1.00 4.95 C ATOM 1434 CD LYS X 96 29.096 -7.594 -3.951 1.00 5.91 C ATOM 1435 CE LYS X 96 30.169 -6.529 -3.783 1.00 6.64 C ATOM 1436 NZ LYS X 96 31.514 -7.030 -4.183 1.00 7.27 N ATOM 1437 OXT LYS X 96 31.612 -11.338 -1.011 1.00 5.15 O ATOM 0 H LYS X 96 28.681 -8.965 0.427 1.00 3.22 H new ATOM 0 HA LYS X 96 29.223 -10.875 -1.763 1.00 4.05 H new ATOM 0 HB2 LYS X 96 30.375 -8.103 -1.278 1.00 4.62 H new ATOM 0 HB3 LYS X 96 30.663 -9.119 -2.677 1.00 4.62 H new ATOM 0 HG2 LYS X 96 27.961 -9.004 -2.793 1.00 4.95 H new ATOM 0 HG3 LYS X 96 28.264 -7.485 -1.973 1.00 4.95 H new ATOM 0 HD2 LYS X 96 29.453 -8.363 -4.636 1.00 5.91 H new ATOM 0 HD3 LYS X 96 28.211 -7.148 -4.406 1.00 5.91 H new ATOM 0 HE2 LYS X 96 29.913 -5.657 -4.384 1.00 6.64 H new ATOM 0 HE3 LYS X 96 30.197 -6.202 -2.743 1.00 6.64 H new ATOM 0 HZ1 LYS X 96 32.125 -6.225 -4.430 1.00 7.27 H new ATOM 0 HZ2 LYS X 96 31.938 -7.556 -3.392 1.00 7.27 H new ATOM 0 HZ3 LYS X 96 31.420 -7.659 -5.006 1.00 7.27 H new TER 1451 LYS X 96 CONECT 78 1243 CONECT 317 1078 CONECT 1078 317 CONECT 1243 78 END