USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 29-MAY-99 1QP2 TITLE SOLUTION STRUCTURE OF PHOTOSYSTEM I ACCESSORY PROTEIN E FROM THE TITLE 2 CYANOBACTERIUM NOSTOC SP. STRAIN PCC 8009 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (PSAE PROTEIN); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FULL LENGTH; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; SOURCE 3 ORGANISM_TAXID: 29413; SOURCE 4 STRAIN: PCC 8009; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D KEYWDS MAINLY BETA, ROLL, PLECKSTRIN TOPOLOGY, SH3-LIKE, ELECTRON TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR K.L.MAYER,G.SHEN,D.A.BRYANT,J.T.J.LECOMTE,C.J.FALZONE REVDAT 4 13-JUL-11 1QP2 1 VERSN REVDAT 3 24-FEB-09 1QP2 1 VERSN REVDAT 2 01-APR-03 1QP2 1 JRNL REVDAT 1 20-OCT-99 1QP2 0 JRNL AUTH K.L.MAYER,G.SHEN,D.A.BRYANT,J.T.LECOMTE,C.J.FALZONE JRNL TITL THE SOLUTION STRUCTURE OF PHOTOSYSTEM I ACCESSORY PROTEIN E JRNL TITL 2 FROM THE CYANOBACTERIUM NOSTOC SP. STRAIN PCC 8009. JRNL REF BIOCHEMISTRY V. 38 13736 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10521281 JRNL DOI 10.1021/BI9910373 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.85 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 966 DISTANCE RESTRAINTS REMARK 3 73 DIHEDRAL ANGLE RESTRAINTS REMARK 3 54 DISTANCE RETRAINTS FROM HYDROGEN BONDS REMARK 4 REMARK 4 1QP2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB009131. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : NO BUFFER OR ADDED SALT REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : NO BUFFER OR ADDED SALT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N-SEPARATED_ REMARK 210 NOESY; 3D_13C-SEPARATED_NOESY; J- REMARK 210 MODULATED HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX2 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.85, XWINNMR 2.0, FELIX REMARK 210 95 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 TRP A 17 37.04 -95.45 REMARK 500 SER A 30 -45.24 -144.42 REMARK 500 ALA A 73 50.16 -90.03 REMARK 500 LYS A 74 81.44 -168.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1QP3 RELATED DB: PDB REMARK 900 THIS ENTRY CONTAINS THE MINIMIZED AVERAGE STRUCTURE. 20 NMR REMARK 900 STRUCTURES CAN BE FOUND IN PROTEIN DATA BANK ENTRY 1QP3 DBREF 1QP2 A 1 77 UNP Q9WWP1 PSAE_NOSS8 1 70 SEQRES 1 A 70 MET VAL GLN ARG GLY SER LYS VAL ARG ILE LEU ARG PRO SEQRES 2 A 70 GLU SER TYR TRP PHE GLN ASP VAL GLY THR VAL ALA SER SEQRES 3 A 70 VAL ASP GLN SER GLY ILE LYS TYR PRO VAL ILE VAL ARG SEQRES 4 A 70 PHE GLU LYS VAL ASN TYR SER GLY ILE ASN THR ASN ASN SEQRES 5 A 70 PHE ALA GLU ASP GLU LEU VAL GLU VAL GLU ALA PRO LYS SEQRES 6 A 70 ALA LYS PRO LYS LYS HELIX 1 1 ALA A 61 ASP A 63 5 3 SHEET 1 A 5 THR A 57 PHE A 60 0 SHEET 2 A 5 VAL A 36 ARG A 39 -1 O VAL A 36 N PHE A 60 SHEET 3 A 5 VAL A 21 VAL A 27 -1 O THR A 23 N ARG A 39 SHEET 4 A 5 LYS A 7 ILE A 10 -1 O VAL A 8 N GLY A 22 SHEET 5 A 5 LEU A 65 GLU A 67 -1 O VAL A 66 N ARG A 9 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 56 ASN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.00869 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -5.58! C(o=-5.6!,f=-8!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 129:sc= 0.615 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00538 K(o=-0.0054,f=-0.74) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.29) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.253 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.01! C(o=-2!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.6!) USER MOD Single : A 59 ASN : amide:sc= -3.09 K(o=-3.1,f=-5.6!) USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= -0.115 (180deg=-0.768) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0.955 (180deg=0.949) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.435 5.604 -2.933 1.00 3.72 N ATOM 2 CA MET A 1 -8.560 6.661 -2.347 1.00 2.91 C ATOM 3 C MET A 1 -7.688 6.067 -1.236 1.00 2.02 C ATOM 4 O MET A 1 -8.185 5.469 -0.300 1.00 2.11 O ATOM 5 CB MET A 1 -9.526 7.703 -1.776 1.00 3.29 C ATOM 6 CG MET A 1 -9.021 9.109 -2.108 1.00 3.62 C ATOM 7 SD MET A 1 -9.563 10.265 -0.825 1.00 4.32 S ATOM 8 CE MET A 1 -11.227 10.558 -1.472 1.00 4.52 C ATOM 0 H1 MET A 1 -10.022 6.017 -3.685 1.00 3.72 H new ATOM 0 H2 MET A 1 -8.845 4.846 -3.331 1.00 3.72 H new ATOM 0 H3 MET A 1 -10.049 5.211 -2.191 1.00 3.72 H new ATOM 0 HA MET A 1 -7.883 7.095 -3.083 1.00 2.91 H new ATOM 0 HB2 MET A 1 -10.523 7.556 -2.192 1.00 3.29 H new ATOM 0 HB3 MET A 1 -9.611 7.582 -0.696 1.00 3.29 H new ATOM 0 HG2 MET A 1 -7.933 9.109 -2.176 1.00 3.62 H new ATOM 0 HG3 MET A 1 -9.402 9.423 -3.080 1.00 3.62 H new ATOM 0 HE1 MET A 1 -11.752 11.257 -0.822 1.00 4.52 H new ATOM 0 HE2 MET A 1 -11.158 10.977 -2.476 1.00 4.52 H new ATOM 0 HE3 MET A 1 -11.774 9.616 -1.509 1.00 4.52 H new ATOM 20 N VAL A 2 -6.390 6.153 -1.382 1.00 1.49 N ATOM 21 CA VAL A 2 -5.475 5.511 -0.389 1.00 0.82 C ATOM 22 C VAL A 2 -5.145 6.497 0.737 1.00 0.80 C ATOM 23 O VAL A 2 -4.275 7.337 0.601 1.00 1.18 O ATOM 24 CB VAL A 2 -4.213 5.153 -1.182 1.00 1.10 C ATOM 25 CG1 VAL A 2 -3.198 4.474 -0.259 1.00 1.89 C ATOM 26 CG2 VAL A 2 -4.576 4.195 -2.321 1.00 1.49 C ATOM 0 H VAL A 2 -5.924 6.641 -2.147 1.00 1.49 H new ATOM 0 HA VAL A 2 -5.921 4.633 0.078 1.00 0.82 H new ATOM 0 HB VAL A 2 -3.780 6.065 -1.593 1.00 1.10 H new ATOM 0 HG11 VAL A 2 -2.302 4.221 -0.826 1.00 1.89 H new ATOM 0 HG12 VAL A 2 -2.934 5.152 0.553 1.00 1.89 H new ATOM 0 HG13 VAL A 2 -3.634 3.565 0.155 1.00 1.89 H new ATOM 0 HG21 VAL A 2 -3.677 3.942 -2.884 1.00 1.49 H new ATOM 0 HG22 VAL A 2 -5.013 3.286 -1.907 1.00 1.49 H new ATOM 0 HG23 VAL A 2 -5.296 4.674 -2.984 1.00 1.49 H new ATOM 36 N GLN A 3 -5.804 6.370 1.860 1.00 0.63 N ATOM 37 CA GLN A 3 -5.501 7.263 3.019 1.00 0.87 C ATOM 38 C GLN A 3 -4.667 6.513 4.060 1.00 0.62 C ATOM 39 O GLN A 3 -4.325 5.359 3.879 1.00 0.48 O ATOM 40 CB GLN A 3 -6.866 7.640 3.596 1.00 1.23 C ATOM 41 CG GLN A 3 -7.366 8.923 2.929 1.00 1.78 C ATOM 42 CD GLN A 3 -7.880 8.602 1.525 1.00 2.00 C ATOM 43 OE1 GLN A 3 -9.054 8.349 1.339 1.00 2.68 O ATOM 44 NE2 GLN A 3 -7.045 8.601 0.522 1.00 2.01 N ATOM 0 H GLN A 3 -6.541 5.684 2.025 1.00 0.63 H new ATOM 0 HA GLN A 3 -4.926 8.141 2.725 1.00 0.87 H new ATOM 0 HB2 GLN A 3 -7.578 6.831 3.432 1.00 1.23 H new ATOM 0 HB3 GLN A 3 -6.790 7.784 4.674 1.00 1.23 H new ATOM 0 HG2 GLN A 3 -8.162 9.369 3.526 1.00 1.78 H new ATOM 0 HG3 GLN A 3 -6.560 9.655 2.874 1.00 1.78 H new ATOM 0 HE21 GLN A 3 -6.060 8.813 0.678 1.00 2.01 H new ATOM 0 HE22 GLN A 3 -7.378 8.388 -0.418 1.00 2.01 H new ATOM 53 N ARG A 4 -4.387 7.143 5.173 1.00 0.74 N ATOM 54 CA ARG A 4 -3.631 6.452 6.262 1.00 0.66 C ATOM 55 C ARG A 4 -4.541 5.458 6.987 1.00 0.56 C ATOM 56 O ARG A 4 -5.436 5.842 7.717 1.00 0.79 O ATOM 57 CB ARG A 4 -3.190 7.567 7.212 1.00 0.84 C ATOM 58 CG ARG A 4 -2.264 8.534 6.472 1.00 1.26 C ATOM 59 CD ARG A 4 -2.443 9.946 7.036 1.00 1.83 C ATOM 60 NE ARG A 4 -1.922 9.875 8.437 1.00 2.52 N ATOM 61 CZ ARG A 4 -1.539 10.958 9.084 1.00 3.23 C ATOM 62 NH1 ARG A 4 -1.639 12.152 8.547 1.00 3.46 N ATOM 63 NH2 ARG A 4 -1.050 10.841 10.288 1.00 4.15 N ATOM 0 H ARG A 4 -4.650 8.108 5.375 1.00 0.74 H new ATOM 0 HA ARG A 4 -2.782 5.886 5.879 1.00 0.66 H new ATOM 0 HB2 ARG A 4 -4.061 8.101 7.592 1.00 0.84 H new ATOM 0 HB3 ARG A 4 -2.675 7.142 8.074 1.00 0.84 H new ATOM 0 HG2 ARG A 4 -1.227 8.216 6.581 1.00 1.26 H new ATOM 0 HG3 ARG A 4 -2.489 8.526 5.406 1.00 1.26 H new ATOM 0 HD2 ARG A 4 -1.891 10.679 6.447 1.00 1.83 H new ATOM 0 HD3 ARG A 4 -3.490 10.247 7.020 1.00 1.83 H new ATOM 0 HE ARG A 4 -1.862 8.969 8.902 1.00 2.52 H new ATOM 0 HH11 ARG A 4 -2.021 12.258 7.607 1.00 3.46 H new ATOM 0 HH12 ARG A 4 -1.335 12.973 9.070 1.00 3.46 H new ATOM 0 HH21 ARG A 4 -0.968 9.920 10.718 1.00 4.15 H new ATOM 0 HH22 ARG A 4 -0.750 11.671 10.799 1.00 4.15 H new ATOM 77 N GLY A 5 -4.325 4.184 6.779 1.00 0.53 N ATOM 78 CA GLY A 5 -5.182 3.155 7.440 1.00 0.70 C ATOM 79 C GLY A 5 -5.768 2.219 6.382 1.00 0.59 C ATOM 80 O GLY A 5 -6.011 1.055 6.639 1.00 0.67 O ATOM 0 H GLY A 5 -3.590 3.812 6.178 1.00 0.53 H new ATOM 0 HA2 GLY A 5 -4.594 2.585 8.159 1.00 0.70 H new ATOM 0 HA3 GLY A 5 -5.985 3.639 7.997 1.00 0.70 H new ATOM 84 N SER A 6 -5.983 2.716 5.189 1.00 0.62 N ATOM 85 CA SER A 6 -6.537 1.852 4.101 1.00 0.53 C ATOM 86 C SER A 6 -5.494 0.822 3.661 1.00 0.41 C ATOM 87 O SER A 6 -4.363 1.160 3.364 1.00 0.67 O ATOM 88 CB SER A 6 -6.862 2.809 2.953 1.00 0.62 C ATOM 89 OG SER A 6 -8.084 2.413 2.344 1.00 1.14 O ATOM 0 H SER A 6 -5.799 3.683 4.922 1.00 0.62 H new ATOM 0 HA SER A 6 -7.416 1.296 4.426 1.00 0.53 H new ATOM 0 HB2 SER A 6 -6.942 3.830 3.327 1.00 0.62 H new ATOM 0 HB3 SER A 6 -6.057 2.801 2.218 1.00 0.62 H new ATOM 0 HG SER A 6 -8.297 3.025 1.609 1.00 1.14 H new ATOM 95 N LYS A 7 -5.879 -0.427 3.582 1.00 0.27 N ATOM 96 CA LYS A 7 -4.928 -1.482 3.120 1.00 0.30 C ATOM 97 C LYS A 7 -5.035 -1.661 1.603 1.00 0.26 C ATOM 98 O LYS A 7 -6.115 -1.653 1.044 1.00 0.38 O ATOM 99 CB LYS A 7 -5.369 -2.755 3.843 1.00 0.43 C ATOM 100 CG LYS A 7 -5.214 -2.564 5.353 1.00 0.56 C ATOM 101 CD LYS A 7 -4.984 -3.922 6.019 1.00 0.96 C ATOM 102 CE LYS A 7 -6.332 -4.586 6.306 1.00 1.33 C ATOM 103 NZ LYS A 7 -6.126 -5.343 7.572 1.00 1.96 N ATOM 0 H LYS A 7 -6.813 -0.762 3.818 1.00 0.27 H new ATOM 0 HA LYS A 7 -3.890 -1.228 3.337 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -6.407 -2.984 3.599 1.00 0.43 H new ATOM 0 HB3 LYS A 7 -4.769 -3.602 3.509 1.00 0.43 H new ATOM 0 HG2 LYS A 7 -4.377 -1.898 5.562 1.00 0.56 H new ATOM 0 HG3 LYS A 7 -6.106 -2.092 5.764 1.00 0.56 H new ATOM 0 HD2 LYS A 7 -4.384 -4.560 5.370 1.00 0.96 H new ATOM 0 HD3 LYS A 7 -4.425 -3.794 6.946 1.00 0.96 H new ATOM 0 HE2 LYS A 7 -7.123 -3.844 6.414 1.00 1.33 H new ATOM 0 HE3 LYS A 7 -6.627 -5.249 5.493 1.00 1.33 H new ATOM 0 HZ1 LYS A 7 -7.008 -5.827 7.835 1.00 1.96 H new ATOM 0 HZ2 LYS A 7 -5.372 -6.047 7.437 1.00 1.96 H new ATOM 0 HZ3 LYS A 7 -5.853 -4.685 8.330 1.00 1.96 H new ATOM 117 N VAL A 8 -3.918 -1.806 0.936 1.00 0.18 N ATOM 118 CA VAL A 8 -3.942 -1.968 -0.550 1.00 0.15 C ATOM 119 C VAL A 8 -3.077 -3.162 -0.969 1.00 0.16 C ATOM 120 O VAL A 8 -2.130 -3.518 -0.293 1.00 0.19 O ATOM 121 CB VAL A 8 -3.371 -0.660 -1.109 1.00 0.16 C ATOM 122 CG1 VAL A 8 -4.268 0.507 -0.691 1.00 0.19 C ATOM 123 CG2 VAL A 8 -1.956 -0.430 -0.564 1.00 0.20 C ATOM 0 H VAL A 8 -2.989 -1.819 1.357 1.00 0.18 H new ATOM 0 HA VAL A 8 -4.947 -2.161 -0.925 1.00 0.15 H new ATOM 0 HB VAL A 8 -3.331 -0.725 -2.196 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -3.863 1.438 -1.088 1.00 0.19 H new ATOM 0 HG12 VAL A 8 -5.273 0.352 -1.084 1.00 0.19 H new ATOM 0 HG13 VAL A 8 -4.308 0.564 0.397 1.00 0.19 H new ATOM 0 HG21 VAL A 8 -1.558 0.502 -0.966 1.00 0.20 H new ATOM 0 HG22 VAL A 8 -1.990 -0.370 0.524 1.00 0.20 H new ATOM 0 HG23 VAL A 8 -1.312 -1.258 -0.862 1.00 0.20 H new ATOM 133 N ARG A 9 -3.357 -3.734 -2.113 1.00 0.19 N ATOM 134 CA ARG A 9 -2.509 -4.853 -2.624 1.00 0.22 C ATOM 135 C ARG A 9 -1.221 -4.301 -3.240 1.00 0.18 C ATOM 136 O ARG A 9 -1.167 -3.162 -3.665 1.00 0.27 O ATOM 137 CB ARG A 9 -3.362 -5.543 -3.690 1.00 0.30 C ATOM 138 CG ARG A 9 -4.228 -6.620 -3.035 1.00 0.38 C ATOM 139 CD ARG A 9 -3.492 -7.962 -3.076 1.00 0.69 C ATOM 140 NE ARG A 9 -4.572 -8.996 -3.132 1.00 1.06 N ATOM 141 CZ ARG A 9 -4.346 -10.246 -2.777 1.00 1.43 C ATOM 142 NH1 ARG A 9 -3.154 -10.650 -2.401 1.00 2.04 N ATOM 143 NH2 ARG A 9 -5.330 -11.103 -2.801 1.00 2.00 N ATOM 0 H ARG A 9 -4.138 -3.474 -2.716 1.00 0.19 H new ATOM 0 HA ARG A 9 -2.212 -5.541 -1.833 1.00 0.22 H new ATOM 0 HB2 ARG A 9 -3.993 -4.812 -4.195 1.00 0.30 H new ATOM 0 HB3 ARG A 9 -2.721 -5.990 -4.450 1.00 0.30 H new ATOM 0 HG2 ARG A 9 -4.449 -6.346 -2.004 1.00 0.38 H new ATOM 0 HG3 ARG A 9 -5.182 -6.701 -3.555 1.00 0.38 H new ATOM 0 HD2 ARG A 9 -2.838 -8.027 -3.946 1.00 0.69 H new ATOM 0 HD3 ARG A 9 -2.864 -8.095 -2.195 1.00 0.69 H new ATOM 0 HE ARG A 9 -5.503 -8.728 -3.452 1.00 1.06 H new ATOM 0 HH11 ARG A 9 -2.376 -9.991 -2.379 1.00 2.04 H new ATOM 0 HH12 ARG A 9 -3.007 -11.623 -2.131 1.00 2.04 H new ATOM 0 HH21 ARG A 9 -6.261 -10.803 -3.092 1.00 2.00 H new ATOM 0 HH22 ARG A 9 -5.169 -12.073 -2.529 1.00 2.00 H new ATOM 157 N ILE A 10 -0.193 -5.108 -3.309 1.00 0.19 N ATOM 158 CA ILE A 10 1.091 -4.645 -3.919 1.00 0.18 C ATOM 159 C ILE A 10 1.195 -5.144 -5.364 1.00 0.19 C ATOM 160 O ILE A 10 1.191 -6.333 -5.621 1.00 0.22 O ATOM 161 CB ILE A 10 2.193 -5.266 -3.050 1.00 0.22 C ATOM 162 CG1 ILE A 10 2.041 -4.795 -1.593 1.00 0.24 C ATOM 163 CG2 ILE A 10 3.569 -4.850 -3.583 1.00 0.24 C ATOM 164 CD1 ILE A 10 2.149 -3.266 -1.511 1.00 0.24 C ATOM 0 H ILE A 10 -0.187 -6.070 -2.969 1.00 0.19 H new ATOM 0 HA ILE A 10 1.167 -3.558 -3.952 1.00 0.18 H new ATOM 0 HB ILE A 10 2.104 -6.352 -3.086 1.00 0.22 H new ATOM 0 HG12 ILE A 10 1.078 -5.120 -1.198 1.00 0.24 H new ATOM 0 HG13 ILE A 10 2.811 -5.254 -0.973 1.00 0.24 H new ATOM 0 HG21 ILE A 10 4.348 -5.293 -2.963 1.00 0.24 H new ATOM 0 HG22 ILE A 10 3.681 -5.197 -4.610 1.00 0.24 H new ATOM 0 HG23 ILE A 10 3.657 -3.764 -3.555 1.00 0.24 H new ATOM 0 HD11 ILE A 10 2.039 -2.949 -0.474 1.00 0.24 H new ATOM 0 HD12 ILE A 10 3.122 -2.949 -1.887 1.00 0.24 H new ATOM 0 HD13 ILE A 10 1.362 -2.813 -2.114 1.00 0.24 H new ATOM 176 N LEU A 11 1.330 -4.241 -6.302 1.00 0.25 N ATOM 177 CA LEU A 11 1.486 -4.652 -7.730 1.00 0.29 C ATOM 178 C LEU A 11 2.913 -4.369 -8.206 1.00 0.30 C ATOM 179 O LEU A 11 3.132 -3.974 -9.336 1.00 0.36 O ATOM 180 CB LEU A 11 0.480 -3.790 -8.505 1.00 0.33 C ATOM 181 CG LEU A 11 -0.917 -4.432 -8.478 1.00 0.35 C ATOM 182 CD1 LEU A 11 -0.871 -5.813 -9.137 1.00 0.39 C ATOM 183 CD2 LEU A 11 -1.399 -4.572 -7.030 1.00 0.32 C ATOM 0 H LEU A 11 1.339 -3.234 -6.140 1.00 0.25 H new ATOM 0 HA LEU A 11 1.306 -5.717 -7.876 1.00 0.29 H new ATOM 0 HB2 LEU A 11 0.436 -2.792 -8.069 1.00 0.33 H new ATOM 0 HB3 LEU A 11 0.812 -3.673 -9.536 1.00 0.33 H new ATOM 0 HG LEU A 11 -1.608 -3.794 -9.028 1.00 0.35 H new ATOM 0 HD11 LEU A 11 -1.865 -6.261 -9.114 1.00 0.39 H new ATOM 0 HD12 LEU A 11 -0.543 -5.712 -10.172 1.00 0.39 H new ATOM 0 HD13 LEU A 11 -0.173 -6.451 -8.596 1.00 0.39 H new ATOM 0 HD21 LEU A 11 -2.389 -5.027 -7.019 1.00 0.32 H new ATOM 0 HD22 LEU A 11 -0.704 -5.201 -6.474 1.00 0.32 H new ATOM 0 HD23 LEU A 11 -1.447 -3.587 -6.566 1.00 0.32 H new ATOM 195 N ARG A 12 3.881 -4.552 -7.344 1.00 0.28 N ATOM 196 CA ARG A 12 5.298 -4.278 -7.729 1.00 0.32 C ATOM 197 C ARG A 12 6.082 -5.597 -7.836 1.00 0.31 C ATOM 198 O ARG A 12 6.532 -6.121 -6.836 1.00 0.29 O ATOM 199 CB ARG A 12 5.853 -3.414 -6.596 1.00 0.33 C ATOM 200 CG ARG A 12 7.133 -2.719 -7.063 1.00 0.42 C ATOM 201 CD ARG A 12 7.339 -1.432 -6.259 1.00 0.43 C ATOM 202 NE ARG A 12 8.810 -1.367 -5.993 1.00 0.81 N ATOM 203 CZ ARG A 12 9.306 -0.579 -5.058 1.00 1.12 C ATOM 204 NH1 ARG A 12 8.530 0.151 -4.291 1.00 1.89 N ATOM 205 NH2 ARG A 12 10.599 -0.524 -4.892 1.00 1.41 N ATOM 0 H ARG A 12 3.750 -4.880 -6.387 1.00 0.28 H new ATOM 0 HA ARG A 12 5.377 -3.782 -8.697 1.00 0.32 H new ATOM 0 HB2 ARG A 12 5.113 -2.672 -6.294 1.00 0.33 H new ATOM 0 HB3 ARG A 12 6.060 -4.031 -5.722 1.00 0.33 H new ATOM 0 HG2 ARG A 12 7.988 -3.382 -6.932 1.00 0.42 H new ATOM 0 HG3 ARG A 12 7.067 -2.489 -8.126 1.00 0.42 H new ATOM 0 HD2 ARG A 12 7.001 -0.560 -6.819 1.00 0.43 H new ATOM 0 HD3 ARG A 12 6.771 -1.454 -5.329 1.00 0.43 H new ATOM 0 HE ARG A 12 9.443 -1.944 -6.546 1.00 0.81 H new ATOM 0 HH11 ARG A 12 7.518 0.117 -4.410 1.00 1.89 H new ATOM 0 HH12 ARG A 12 8.939 0.752 -3.576 1.00 1.89 H new ATOM 0 HH21 ARG A 12 11.213 -1.086 -5.481 1.00 1.41 H new ATOM 0 HH22 ARG A 12 10.996 0.081 -4.173 1.00 1.41 H new ATOM 219 N PRO A 13 6.225 -6.102 -9.048 1.00 0.33 N ATOM 220 CA PRO A 13 6.968 -7.378 -9.259 1.00 0.34 C ATOM 221 C PRO A 13 8.355 -7.327 -8.603 1.00 0.36 C ATOM 222 O PRO A 13 8.905 -8.343 -8.220 1.00 0.39 O ATOM 223 CB PRO A 13 7.098 -7.472 -10.778 1.00 0.38 C ATOM 224 CG PRO A 13 5.967 -6.656 -11.313 1.00 0.38 C ATOM 225 CD PRO A 13 5.720 -5.553 -10.319 1.00 0.36 C ATOM 0 HA PRO A 13 6.460 -8.235 -8.818 1.00 0.34 H new ATOM 0 HB2 PRO A 13 8.059 -7.085 -11.117 1.00 0.38 H new ATOM 0 HB3 PRO A 13 7.034 -8.506 -11.117 1.00 0.38 H new ATOM 0 HG2 PRO A 13 6.215 -6.246 -12.292 1.00 0.38 H new ATOM 0 HG3 PRO A 13 5.075 -7.269 -11.441 1.00 0.38 H new ATOM 0 HD2 PRO A 13 6.246 -4.640 -10.597 1.00 0.36 H new ATOM 0 HD3 PRO A 13 4.661 -5.304 -10.254 1.00 0.36 H new ATOM 233 N GLU A 14 8.900 -6.149 -8.436 1.00 0.38 N ATOM 234 CA GLU A 14 10.228 -6.020 -7.763 1.00 0.41 C ATOM 235 C GLU A 14 10.075 -6.180 -6.246 1.00 0.39 C ATOM 236 O GLU A 14 11.013 -6.532 -5.556 1.00 0.41 O ATOM 237 CB GLU A 14 10.715 -4.611 -8.106 1.00 0.45 C ATOM 238 CG GLU A 14 11.513 -4.650 -9.411 1.00 1.02 C ATOM 239 CD GLU A 14 12.469 -3.457 -9.461 1.00 1.54 C ATOM 240 OE1 GLU A 14 12.995 -3.101 -8.420 1.00 2.27 O ATOM 241 OE2 GLU A 14 12.657 -2.919 -10.540 1.00 2.09 O ATOM 0 H GLU A 14 8.482 -5.269 -8.737 1.00 0.38 H new ATOM 0 HA GLU A 14 10.930 -6.785 -8.093 1.00 0.41 H new ATOM 0 HB2 GLU A 14 9.865 -3.936 -8.207 1.00 0.45 H new ATOM 0 HB3 GLU A 14 11.336 -4.223 -7.299 1.00 0.45 H new ATOM 0 HG2 GLU A 14 12.074 -5.582 -9.479 1.00 1.02 H new ATOM 0 HG3 GLU A 14 10.836 -4.623 -10.265 1.00 1.02 H new ATOM 248 N SER A 15 8.917 -5.865 -5.720 1.00 0.37 N ATOM 249 CA SER A 15 8.721 -5.932 -4.238 1.00 0.36 C ATOM 250 C SER A 15 8.580 -7.388 -3.786 1.00 0.33 C ATOM 251 O SER A 15 7.738 -8.119 -4.273 1.00 0.30 O ATOM 252 CB SER A 15 7.428 -5.161 -3.969 1.00 0.34 C ATOM 253 OG SER A 15 7.206 -5.093 -2.566 1.00 1.22 O ATOM 0 H SER A 15 8.100 -5.565 -6.252 1.00 0.37 H new ATOM 0 HA SER A 15 9.566 -5.511 -3.694 1.00 0.36 H new ATOM 0 HB2 SER A 15 7.496 -4.157 -4.387 1.00 0.34 H new ATOM 0 HB3 SER A 15 6.588 -5.654 -4.458 1.00 0.34 H new ATOM 0 HG SER A 15 7.042 -4.163 -2.305 1.00 1.22 H new ATOM 259 N TYR A 16 9.331 -7.779 -2.787 1.00 0.36 N ATOM 260 CA TYR A 16 9.173 -9.153 -2.213 1.00 0.37 C ATOM 261 C TYR A 16 7.737 -9.371 -1.716 1.00 0.32 C ATOM 262 O TYR A 16 7.302 -10.493 -1.537 1.00 0.34 O ATOM 263 CB TYR A 16 10.158 -9.216 -1.042 1.00 0.43 C ATOM 264 CG TYR A 16 10.155 -10.607 -0.454 1.00 0.47 C ATOM 265 CD1 TYR A 16 9.164 -10.977 0.463 1.00 1.38 C ATOM 266 CD2 TYR A 16 11.144 -11.526 -0.824 1.00 1.22 C ATOM 267 CE1 TYR A 16 9.161 -12.266 1.009 1.00 1.42 C ATOM 268 CE2 TYR A 16 11.142 -12.815 -0.278 1.00 1.22 C ATOM 269 CZ TYR A 16 10.150 -13.185 0.638 1.00 0.58 C ATOM 270 OH TYR A 16 10.147 -14.456 1.177 1.00 0.64 O ATOM 0 H TYR A 16 10.048 -7.206 -2.343 1.00 0.36 H new ATOM 0 HA TYR A 16 9.370 -9.926 -2.955 1.00 0.37 H new ATOM 0 HB2 TYR A 16 11.160 -8.956 -1.382 1.00 0.43 H new ATOM 0 HB3 TYR A 16 9.881 -8.487 -0.280 1.00 0.43 H new ATOM 0 HD1 TYR A 16 8.402 -10.268 0.749 1.00 1.38 H new ATOM 0 HD2 TYR A 16 11.909 -11.240 -1.531 1.00 1.22 H new ATOM 0 HE1 TYR A 16 8.396 -12.551 1.716 1.00 1.42 H new ATOM 0 HE2 TYR A 16 11.905 -13.524 -0.563 1.00 1.22 H new ATOM 0 HH TYR A 16 10.900 -14.967 0.814 1.00 0.64 H new ATOM 280 N TRP A 17 7.019 -8.308 -1.442 1.00 0.29 N ATOM 281 CA TRP A 17 5.635 -8.455 -0.897 1.00 0.27 C ATOM 282 C TRP A 17 4.605 -8.382 -2.028 1.00 0.25 C ATOM 283 O TRP A 17 3.503 -7.902 -1.841 1.00 0.25 O ATOM 284 CB TRP A 17 5.459 -7.276 0.061 1.00 0.27 C ATOM 285 CG TRP A 17 6.435 -7.395 1.187 1.00 0.30 C ATOM 286 CD1 TRP A 17 6.457 -8.398 2.095 1.00 0.37 C ATOM 287 CD2 TRP A 17 7.529 -6.500 1.541 1.00 0.36 C ATOM 288 NE1 TRP A 17 7.494 -8.175 2.983 1.00 0.39 N ATOM 289 CE2 TRP A 17 8.184 -7.017 2.683 1.00 0.38 C ATOM 290 CE3 TRP A 17 8.011 -5.300 0.986 1.00 0.46 C ATOM 291 CZ2 TRP A 17 9.279 -6.368 3.255 1.00 0.46 C ATOM 292 CZ3 TRP A 17 9.113 -4.644 1.560 1.00 0.57 C ATOM 293 CH2 TRP A 17 9.745 -5.177 2.692 1.00 0.56 C ATOM 0 H TRP A 17 7.333 -7.346 -1.573 1.00 0.29 H new ATOM 0 HA TRP A 17 5.490 -9.414 -0.399 1.00 0.27 H new ATOM 0 HB2 TRP A 17 5.614 -6.337 -0.470 1.00 0.27 H new ATOM 0 HB3 TRP A 17 4.441 -7.259 0.449 1.00 0.27 H new ATOM 0 HD1 TRP A 17 5.776 -9.236 2.122 1.00 0.37 H new ATOM 0 HE1 TRP A 17 7.721 -8.791 3.764 1.00 0.39 H new ATOM 0 HE3 TRP A 17 7.531 -4.881 0.114 1.00 0.46 H new ATOM 0 HZ2 TRP A 17 9.763 -6.783 4.127 1.00 0.46 H new ATOM 0 HZ3 TRP A 17 9.475 -3.724 1.126 1.00 0.57 H new ATOM 0 HH2 TRP A 17 10.591 -4.668 3.129 1.00 0.56 H new ATOM 304 N PHE A 18 4.925 -8.934 -3.173 1.00 0.24 N ATOM 305 CA PHE A 18 3.928 -8.986 -4.288 1.00 0.23 C ATOM 306 C PHE A 18 2.700 -9.795 -3.861 1.00 0.25 C ATOM 307 O PHE A 18 2.794 -10.709 -3.065 1.00 0.26 O ATOM 308 CB PHE A 18 4.650 -9.682 -5.444 1.00 0.25 C ATOM 309 CG PHE A 18 3.871 -9.475 -6.721 1.00 0.26 C ATOM 310 CD1 PHE A 18 2.763 -10.283 -7.004 1.00 1.29 C ATOM 311 CD2 PHE A 18 4.256 -8.475 -7.621 1.00 1.19 C ATOM 312 CE1 PHE A 18 2.041 -10.090 -8.188 1.00 1.31 C ATOM 313 CE2 PHE A 18 3.534 -8.283 -8.805 1.00 1.19 C ATOM 314 CZ PHE A 18 2.426 -9.090 -9.088 1.00 0.32 C ATOM 0 H PHE A 18 5.832 -9.350 -3.384 1.00 0.24 H new ATOM 0 HA PHE A 18 3.576 -7.993 -4.569 1.00 0.23 H new ATOM 0 HB2 PHE A 18 5.658 -9.281 -5.551 1.00 0.25 H new ATOM 0 HB3 PHE A 18 4.751 -10.747 -5.235 1.00 0.25 H new ATOM 0 HD1 PHE A 18 2.465 -11.055 -6.309 1.00 1.29 H new ATOM 0 HD2 PHE A 18 5.110 -7.851 -7.402 1.00 1.19 H new ATOM 0 HE1 PHE A 18 1.187 -10.713 -8.407 1.00 1.31 H new ATOM 0 HE2 PHE A 18 3.832 -7.512 -9.500 1.00 1.19 H new ATOM 0 HZ PHE A 18 1.868 -8.941 -10.001 1.00 0.32 H new ATOM 324 N GLN A 19 1.550 -9.483 -4.413 1.00 0.27 N ATOM 325 CA GLN A 19 0.302 -10.250 -4.079 1.00 0.31 C ATOM 326 C GLN A 19 0.090 -10.310 -2.561 1.00 0.31 C ATOM 327 O GLN A 19 -0.319 -11.323 -2.024 1.00 0.37 O ATOM 328 CB GLN A 19 0.522 -11.656 -4.646 1.00 0.34 C ATOM 329 CG GLN A 19 -0.099 -11.747 -6.042 1.00 0.77 C ATOM 330 CD GLN A 19 0.299 -13.074 -6.692 1.00 1.10 C ATOM 331 OE1 GLN A 19 0.584 -14.037 -6.010 1.00 1.58 O ATOM 332 NE2 GLN A 19 0.331 -13.164 -7.994 1.00 1.49 N ATOM 0 H GLN A 19 1.420 -8.726 -5.084 1.00 0.27 H new ATOM 0 HA GLN A 19 -0.585 -9.776 -4.500 1.00 0.31 H new ATOM 0 HB2 GLN A 19 1.588 -11.877 -4.696 1.00 0.34 H new ATOM 0 HB3 GLN A 19 0.073 -12.399 -3.988 1.00 0.34 H new ATOM 0 HG2 GLN A 19 -1.184 -11.674 -5.974 1.00 0.77 H new ATOM 0 HG3 GLN A 19 0.239 -10.913 -6.657 1.00 0.77 H new ATOM 0 HE21 GLN A 19 0.092 -12.355 -8.567 1.00 1.49 H new ATOM 0 HE22 GLN A 19 0.595 -14.043 -8.438 1.00 1.49 H new ATOM 341 N ASP A 20 0.291 -9.209 -1.882 1.00 0.29 N ATOM 342 CA ASP A 20 0.020 -9.168 -0.414 1.00 0.30 C ATOM 343 C ASP A 20 -0.589 -7.817 -0.027 1.00 0.29 C ATOM 344 O ASP A 20 -0.265 -6.795 -0.602 1.00 0.54 O ATOM 345 CB ASP A 20 1.386 -9.350 0.247 1.00 0.33 C ATOM 346 CG ASP A 20 1.601 -10.828 0.578 1.00 0.72 C ATOM 347 OD1 ASP A 20 1.231 -11.230 1.669 1.00 1.35 O ATOM 348 OD2 ASP A 20 2.132 -11.533 -0.264 1.00 1.38 O ATOM 0 H ASP A 20 0.632 -8.335 -2.283 1.00 0.29 H new ATOM 0 HA ASP A 20 -0.688 -9.936 -0.103 1.00 0.30 H new ATOM 0 HB2 ASP A 20 2.174 -8.997 -0.419 1.00 0.33 H new ATOM 0 HB3 ASP A 20 1.445 -8.751 1.156 1.00 0.33 H new ATOM 353 N VAL A 21 -1.482 -7.811 0.929 1.00 0.26 N ATOM 354 CA VAL A 21 -2.135 -6.533 1.345 1.00 0.24 C ATOM 355 C VAL A 21 -1.357 -5.902 2.505 1.00 0.24 C ATOM 356 O VAL A 21 -1.204 -6.497 3.555 1.00 0.36 O ATOM 357 CB VAL A 21 -3.548 -6.927 1.791 1.00 0.28 C ATOM 358 CG1 VAL A 21 -4.325 -5.677 2.214 1.00 0.29 C ATOM 359 CG2 VAL A 21 -4.282 -7.609 0.632 1.00 0.31 C ATOM 0 H VAL A 21 -1.788 -8.638 1.441 1.00 0.26 H new ATOM 0 HA VAL A 21 -2.159 -5.799 0.539 1.00 0.24 H new ATOM 0 HB VAL A 21 -3.477 -7.614 2.634 1.00 0.28 H new ATOM 0 HG11 VAL A 21 -5.328 -5.962 2.530 1.00 0.29 H new ATOM 0 HG12 VAL A 21 -3.809 -5.190 3.041 1.00 0.29 H new ATOM 0 HG13 VAL A 21 -4.392 -4.988 1.372 1.00 0.29 H new ATOM 0 HG21 VAL A 21 -5.286 -7.888 0.951 1.00 0.31 H new ATOM 0 HG22 VAL A 21 -4.347 -6.922 -0.212 1.00 0.31 H new ATOM 0 HG23 VAL A 21 -3.735 -8.503 0.331 1.00 0.31 H new ATOM 369 N GLY A 22 -0.913 -4.682 2.337 1.00 0.18 N ATOM 370 CA GLY A 22 -0.199 -3.980 3.444 1.00 0.21 C ATOM 371 C GLY A 22 -1.066 -2.832 3.964 1.00 0.21 C ATOM 372 O GLY A 22 -2.215 -2.693 3.588 1.00 0.27 O ATOM 0 H GLY A 22 -1.015 -4.141 1.478 1.00 0.18 H new ATOM 0 HA2 GLY A 22 0.019 -4.679 4.251 1.00 0.21 H new ATOM 0 HA3 GLY A 22 0.757 -3.595 3.088 1.00 0.21 H new ATOM 376 N THR A 23 -0.516 -1.998 4.808 1.00 0.19 N ATOM 377 CA THR A 23 -1.293 -0.839 5.340 1.00 0.20 C ATOM 378 C THR A 23 -0.562 0.472 5.038 1.00 0.18 C ATOM 379 O THR A 23 0.650 0.548 5.116 1.00 0.20 O ATOM 380 CB THR A 23 -1.372 -1.074 6.850 1.00 0.23 C ATOM 381 OG1 THR A 23 -1.769 -2.416 7.098 1.00 0.28 O ATOM 382 CG2 THR A 23 -2.392 -0.115 7.465 1.00 0.29 C ATOM 0 H THR A 23 0.441 -2.070 5.153 1.00 0.19 H new ATOM 0 HA THR A 23 -2.282 -0.762 4.887 1.00 0.20 H new ATOM 0 HB THR A 23 -0.395 -0.895 7.298 1.00 0.23 H new ATOM 0 HG1 THR A 23 -1.819 -2.569 8.065 1.00 0.28 H new ATOM 0 HG21 THR A 23 -2.447 -0.283 8.540 1.00 0.29 H new ATOM 0 HG22 THR A 23 -2.086 0.913 7.274 1.00 0.29 H new ATOM 0 HG23 THR A 23 -3.371 -0.291 7.019 1.00 0.29 H new ATOM 390 N VAL A 24 -1.296 1.512 4.733 1.00 0.22 N ATOM 391 CA VAL A 24 -0.655 2.837 4.469 1.00 0.23 C ATOM 392 C VAL A 24 -0.288 3.514 5.794 1.00 0.21 C ATOM 393 O VAL A 24 -1.143 3.796 6.612 1.00 0.25 O ATOM 394 CB VAL A 24 -1.713 3.653 3.718 1.00 0.32 C ATOM 395 CG1 VAL A 24 -1.155 5.038 3.382 1.00 0.35 C ATOM 396 CG2 VAL A 24 -2.089 2.934 2.418 1.00 0.39 C ATOM 0 H VAL A 24 -2.313 1.501 4.655 1.00 0.22 H new ATOM 0 HA VAL A 24 0.265 2.745 3.892 1.00 0.23 H new ATOM 0 HB VAL A 24 -2.596 3.758 4.348 1.00 0.32 H new ATOM 0 HG11 VAL A 24 -1.910 5.615 2.848 1.00 0.35 H new ATOM 0 HG12 VAL A 24 -0.887 5.556 4.303 1.00 0.35 H new ATOM 0 HG13 VAL A 24 -0.270 4.931 2.755 1.00 0.35 H new ATOM 0 HG21 VAL A 24 -2.841 3.515 1.885 1.00 0.39 H new ATOM 0 HG22 VAL A 24 -1.203 2.827 1.792 1.00 0.39 H new ATOM 0 HG23 VAL A 24 -2.490 1.948 2.651 1.00 0.39 H new ATOM 406 N ALA A 25 0.976 3.784 6.000 1.00 0.23 N ATOM 407 CA ALA A 25 1.408 4.455 7.263 1.00 0.29 C ATOM 408 C ALA A 25 1.289 5.975 7.121 1.00 0.30 C ATOM 409 O ALA A 25 0.780 6.650 7.997 1.00 0.39 O ATOM 410 CB ALA A 25 2.869 4.046 7.449 1.00 0.35 C ATOM 0 H ALA A 25 1.729 3.568 5.346 1.00 0.23 H new ATOM 0 HA ALA A 25 0.793 4.167 8.116 1.00 0.29 H new ATOM 0 HB1 ALA A 25 3.261 4.500 8.359 1.00 0.35 H new ATOM 0 HB2 ALA A 25 2.936 2.961 7.527 1.00 0.35 H new ATOM 0 HB3 ALA A 25 3.453 4.385 6.594 1.00 0.35 H new ATOM 416 N SER A 26 1.745 6.514 6.019 1.00 0.26 N ATOM 417 CA SER A 26 1.651 7.989 5.804 1.00 0.30 C ATOM 418 C SER A 26 1.813 8.318 4.318 1.00 0.30 C ATOM 419 O SER A 26 2.326 7.526 3.551 1.00 0.42 O ATOM 420 CB SER A 26 2.804 8.581 6.613 1.00 0.39 C ATOM 421 OG SER A 26 2.425 9.860 7.103 1.00 1.29 O ATOM 0 H SER A 26 2.180 5.994 5.257 1.00 0.26 H new ATOM 0 HA SER A 26 0.687 8.391 6.115 1.00 0.30 H new ATOM 0 HB2 SER A 26 3.058 7.921 7.443 1.00 0.39 H new ATOM 0 HB3 SER A 26 3.694 8.667 5.990 1.00 0.39 H new ATOM 0 HG SER A 26 3.162 10.242 7.624 1.00 1.29 H new ATOM 427 N VAL A 27 1.410 9.497 3.917 1.00 0.39 N ATOM 428 CA VAL A 27 1.572 9.906 2.488 1.00 0.47 C ATOM 429 C VAL A 27 2.420 11.179 2.406 1.00 0.53 C ATOM 430 O VAL A 27 2.056 12.212 2.935 1.00 0.69 O ATOM 431 CB VAL A 27 0.148 10.166 1.979 1.00 0.59 C ATOM 432 CG1 VAL A 27 0.191 10.587 0.506 1.00 0.71 C ATOM 433 CG2 VAL A 27 -0.691 8.889 2.113 1.00 0.62 C ATOM 0 H VAL A 27 0.975 10.196 4.519 1.00 0.39 H new ATOM 0 HA VAL A 27 2.077 9.146 1.892 1.00 0.47 H new ATOM 0 HB VAL A 27 -0.300 10.963 2.573 1.00 0.59 H new ATOM 0 HG11 VAL A 27 -0.823 10.770 0.150 1.00 0.71 H new ATOM 0 HG12 VAL A 27 0.781 11.498 0.405 1.00 0.71 H new ATOM 0 HG13 VAL A 27 0.645 9.793 -0.086 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -1.701 9.078 1.751 1.00 0.62 H new ATOM 0 HG22 VAL A 27 -0.237 8.092 1.524 1.00 0.62 H new ATOM 0 HG23 VAL A 27 -0.731 8.588 3.160 1.00 0.62 H new ATOM 443 N ASP A 28 3.538 11.113 1.728 1.00 0.55 N ATOM 444 CA ASP A 28 4.406 12.320 1.585 1.00 0.67 C ATOM 445 C ASP A 28 4.135 13.011 0.245 1.00 0.84 C ATOM 446 O ASP A 28 4.197 12.396 -0.803 1.00 1.12 O ATOM 447 CB ASP A 28 5.838 11.786 1.632 1.00 0.81 C ATOM 448 CG ASP A 28 6.755 12.838 2.260 1.00 1.00 C ATOM 449 OD1 ASP A 28 6.946 13.873 1.643 1.00 1.45 O ATOM 450 OD2 ASP A 28 7.251 12.590 3.347 1.00 1.57 O ATOM 0 H ASP A 28 3.887 10.273 1.267 1.00 0.55 H new ATOM 0 HA ASP A 28 4.220 13.057 2.366 1.00 0.67 H new ATOM 0 HB2 ASP A 28 5.875 10.864 2.212 1.00 0.81 H new ATOM 0 HB3 ASP A 28 6.180 11.544 0.626 1.00 0.81 H new ATOM 455 N GLN A 29 3.863 14.291 0.273 1.00 1.11 N ATOM 456 CA GLN A 29 3.619 15.039 -0.996 1.00 1.39 C ATOM 457 C GLN A 29 4.715 16.086 -1.212 1.00 1.29 C ATOM 458 O GLN A 29 4.533 17.255 -0.929 1.00 1.50 O ATOM 459 CB GLN A 29 2.262 15.717 -0.802 1.00 1.87 C ATOM 460 CG GLN A 29 1.568 15.869 -2.157 1.00 2.50 C ATOM 461 CD GLN A 29 0.058 15.997 -1.946 1.00 3.11 C ATOM 462 OE1 GLN A 29 -0.546 15.177 -1.284 1.00 3.53 O ATOM 463 NE2 GLN A 29 -0.581 16.998 -2.486 1.00 3.64 N ATOM 0 H GLN A 29 3.799 14.851 1.123 1.00 1.11 H new ATOM 0 HA GLN A 29 3.627 14.385 -1.868 1.00 1.39 H new ATOM 0 HB2 GLN A 29 1.642 15.126 -0.128 1.00 1.87 H new ATOM 0 HB3 GLN A 29 2.395 16.694 -0.338 1.00 1.87 H new ATOM 0 HG2 GLN A 29 1.949 16.748 -2.676 1.00 2.50 H new ATOM 0 HG3 GLN A 29 1.786 15.007 -2.788 1.00 2.50 H new ATOM 0 HE21 GLN A 29 -0.074 17.687 -3.042 1.00 3.64 H new ATOM 0 HE22 GLN A 29 -1.588 17.092 -2.352 1.00 3.64 H new ATOM 472 N SER A 30 5.843 15.676 -1.736 1.00 1.32 N ATOM 473 CA SER A 30 6.948 16.644 -2.001 1.00 1.42 C ATOM 474 C SER A 30 7.694 16.258 -3.281 1.00 1.66 C ATOM 475 O SER A 30 7.966 17.091 -4.126 1.00 2.35 O ATOM 476 CB SER A 30 7.872 16.533 -0.789 1.00 1.50 C ATOM 477 OG SER A 30 7.321 17.278 0.290 1.00 2.00 O ATOM 0 H SER A 30 6.045 14.710 -1.992 1.00 1.32 H new ATOM 0 HA SER A 30 6.581 17.661 -2.142 1.00 1.42 H new ATOM 0 HB2 SER A 30 7.991 15.488 -0.502 1.00 1.50 H new ATOM 0 HB3 SER A 30 8.864 16.910 -1.037 1.00 1.50 H new ATOM 0 HG SER A 30 7.910 17.208 1.070 1.00 2.00 H new ATOM 483 N GLY A 31 8.004 14.996 -3.438 1.00 1.55 N ATOM 484 CA GLY A 31 8.708 14.540 -4.673 1.00 1.78 C ATOM 485 C GLY A 31 9.600 13.343 -4.341 1.00 1.47 C ATOM 486 O GLY A 31 10.791 13.485 -4.136 1.00 1.71 O ATOM 0 H GLY A 31 7.799 14.260 -2.762 1.00 1.55 H new ATOM 0 HA2 GLY A 31 7.982 14.264 -5.437 1.00 1.78 H new ATOM 0 HA3 GLY A 31 9.309 15.352 -5.082 1.00 1.78 H new ATOM 490 N ILE A 32 9.036 12.162 -4.313 1.00 1.10 N ATOM 491 CA ILE A 32 9.850 10.943 -4.023 1.00 0.84 C ATOM 492 C ILE A 32 9.464 9.807 -4.977 1.00 0.68 C ATOM 493 O ILE A 32 8.435 9.853 -5.624 1.00 0.82 O ATOM 494 CB ILE A 32 9.519 10.570 -2.572 1.00 0.75 C ATOM 495 CG1 ILE A 32 8.013 10.321 -2.425 1.00 0.72 C ATOM 496 CG2 ILE A 32 9.934 11.714 -1.646 1.00 0.99 C ATOM 497 CD1 ILE A 32 7.718 9.792 -1.021 1.00 0.82 C ATOM 0 H ILE A 32 8.045 11.989 -4.479 1.00 1.10 H new ATOM 0 HA ILE A 32 10.917 11.120 -4.159 1.00 0.84 H new ATOM 0 HB ILE A 32 10.061 9.663 -2.305 1.00 0.75 H new ATOM 0 HG12 ILE A 32 7.462 11.245 -2.600 1.00 0.72 H new ATOM 0 HG13 ILE A 32 7.678 9.603 -3.174 1.00 0.72 H new ATOM 0 HG21 ILE A 32 9.699 11.451 -0.615 1.00 0.99 H new ATOM 0 HG22 ILE A 32 11.006 11.889 -1.741 1.00 0.99 H new ATOM 0 HG23 ILE A 32 9.393 12.619 -1.921 1.00 0.99 H new ATOM 0 HD11 ILE A 32 6.648 9.615 -0.916 1.00 0.82 H new ATOM 0 HD12 ILE A 32 8.257 8.858 -0.863 1.00 0.82 H new ATOM 0 HD13 ILE A 32 8.038 10.525 -0.281 1.00 0.82 H new ATOM 509 N LYS A 33 10.296 8.802 -5.083 1.00 0.54 N ATOM 510 CA LYS A 33 9.998 7.668 -6.014 1.00 0.58 C ATOM 511 C LYS A 33 8.676 6.993 -5.629 1.00 0.51 C ATOM 512 O LYS A 33 7.987 6.441 -6.467 1.00 0.67 O ATOM 513 CB LYS A 33 11.171 6.692 -5.861 1.00 0.69 C ATOM 514 CG LYS A 33 11.288 6.231 -4.404 1.00 0.70 C ATOM 515 CD LYS A 33 12.247 5.043 -4.319 1.00 0.95 C ATOM 516 CE LYS A 33 13.676 5.519 -4.595 1.00 1.69 C ATOM 517 NZ LYS A 33 14.296 4.427 -5.396 1.00 2.12 N ATOM 0 H LYS A 33 11.170 8.716 -4.565 1.00 0.54 H new ATOM 0 HA LYS A 33 9.890 8.006 -7.045 1.00 0.58 H new ATOM 0 HB2 LYS A 33 11.024 5.830 -6.512 1.00 0.69 H new ATOM 0 HB3 LYS A 33 12.098 7.174 -6.173 1.00 0.69 H new ATOM 0 HG2 LYS A 33 11.650 7.049 -3.781 1.00 0.70 H new ATOM 0 HG3 LYS A 33 10.307 5.948 -4.021 1.00 0.70 H new ATOM 0 HD2 LYS A 33 12.189 4.585 -3.331 1.00 0.95 H new ATOM 0 HD3 LYS A 33 11.961 4.279 -5.042 1.00 0.95 H new ATOM 0 HE2 LYS A 33 13.680 6.461 -5.143 1.00 1.69 H new ATOM 0 HE3 LYS A 33 14.222 5.687 -3.667 1.00 1.69 H new ATOM 0 HZ1 LYS A 33 15.279 4.679 -5.625 1.00 2.12 H new ATOM 0 HZ2 LYS A 33 14.284 3.544 -4.847 1.00 2.12 H new ATOM 0 HZ3 LYS A 33 13.759 4.294 -6.276 1.00 2.12 H new ATOM 531 N TYR A 34 8.297 7.074 -4.378 1.00 0.38 N ATOM 532 CA TYR A 34 6.995 6.484 -3.944 1.00 0.32 C ATOM 533 C TYR A 34 6.281 7.434 -2.969 1.00 0.33 C ATOM 534 O TYR A 34 6.564 7.421 -1.787 1.00 0.35 O ATOM 535 CB TYR A 34 7.367 5.176 -3.243 1.00 0.29 C ATOM 536 CG TYR A 34 7.990 4.226 -4.239 1.00 0.32 C ATOM 537 CD1 TYR A 34 7.308 3.897 -5.418 1.00 1.11 C ATOM 538 CD2 TYR A 34 9.250 3.673 -3.983 1.00 1.22 C ATOM 539 CE1 TYR A 34 7.887 3.016 -6.339 1.00 1.14 C ATOM 540 CE2 TYR A 34 9.829 2.792 -4.904 1.00 1.23 C ATOM 541 CZ TYR A 34 9.147 2.463 -6.082 1.00 0.46 C ATOM 542 OH TYR A 34 9.718 1.595 -6.990 1.00 0.55 O ATOM 0 H TYR A 34 8.835 7.524 -3.638 1.00 0.38 H new ATOM 0 HA TYR A 34 6.316 6.319 -4.781 1.00 0.32 H new ATOM 0 HB2 TYR A 34 8.064 5.374 -2.429 1.00 0.29 H new ATOM 0 HB3 TYR A 34 6.480 4.724 -2.800 1.00 0.29 H new ATOM 0 HD1 TYR A 34 6.336 4.323 -5.616 1.00 1.11 H new ATOM 0 HD2 TYR A 34 9.776 3.926 -3.074 1.00 1.22 H new ATOM 0 HE1 TYR A 34 7.361 2.763 -7.248 1.00 1.14 H new ATOM 0 HE2 TYR A 34 10.802 2.366 -4.706 1.00 1.23 H new ATOM 0 HH TYR A 34 10.672 1.492 -6.789 1.00 0.55 H new ATOM 552 N PRO A 35 5.371 8.236 -3.490 1.00 0.36 N ATOM 553 CA PRO A 35 4.621 9.198 -2.632 1.00 0.41 C ATOM 554 C PRO A 35 3.975 8.485 -1.435 1.00 0.38 C ATOM 555 O PRO A 35 3.893 9.032 -0.351 1.00 0.52 O ATOM 556 CB PRO A 35 3.547 9.752 -3.566 1.00 0.43 C ATOM 557 CG PRO A 35 4.104 9.573 -4.940 1.00 0.44 C ATOM 558 CD PRO A 35 4.958 8.334 -4.901 1.00 0.37 C ATOM 0 HA PRO A 35 5.264 9.971 -2.210 1.00 0.41 H new ATOM 0 HB2 PRO A 35 2.606 9.215 -3.448 1.00 0.43 H new ATOM 0 HB3 PRO A 35 3.344 10.802 -3.356 1.00 0.43 H new ATOM 0 HG2 PRO A 35 3.303 9.468 -5.672 1.00 0.44 H new ATOM 0 HG3 PRO A 35 4.694 10.441 -5.235 1.00 0.44 H new ATOM 0 HD2 PRO A 35 4.399 7.453 -5.216 1.00 0.37 H new ATOM 0 HD3 PRO A 35 5.818 8.420 -5.565 1.00 0.37 H new ATOM 566 N VAL A 36 3.409 7.325 -1.659 1.00 0.24 N ATOM 567 CA VAL A 36 2.641 6.640 -0.574 1.00 0.24 C ATOM 568 C VAL A 36 3.542 5.638 0.154 1.00 0.23 C ATOM 569 O VAL A 36 4.302 4.914 -0.460 1.00 0.42 O ATOM 570 CB VAL A 36 1.492 5.917 -1.287 1.00 0.26 C ATOM 571 CG1 VAL A 36 0.610 5.205 -0.257 1.00 0.31 C ATOM 572 CG2 VAL A 36 0.642 6.933 -2.058 1.00 0.29 C ATOM 0 H VAL A 36 3.446 6.823 -2.546 1.00 0.24 H new ATOM 0 HA VAL A 36 2.272 7.340 0.176 1.00 0.24 H new ATOM 0 HB VAL A 36 1.908 5.186 -1.980 1.00 0.26 H new ATOM 0 HG11 VAL A 36 -0.205 4.693 -0.768 1.00 0.31 H new ATOM 0 HG12 VAL A 36 1.207 4.478 0.293 1.00 0.31 H new ATOM 0 HG13 VAL A 36 0.199 5.937 0.438 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -0.174 6.416 -2.564 1.00 0.29 H new ATOM 0 HG22 VAL A 36 0.232 7.666 -1.363 1.00 0.29 H new ATOM 0 HG23 VAL A 36 1.263 7.441 -2.796 1.00 0.29 H new ATOM 582 N ILE A 37 3.423 5.560 1.456 1.00 0.25 N ATOM 583 CA ILE A 37 4.227 4.566 2.230 1.00 0.26 C ATOM 584 C ILE A 37 3.360 3.351 2.577 1.00 0.24 C ATOM 585 O ILE A 37 2.233 3.489 3.017 1.00 0.38 O ATOM 586 CB ILE A 37 4.660 5.306 3.501 1.00 0.30 C ATOM 587 CG1 ILE A 37 5.504 6.531 3.122 1.00 0.35 C ATOM 588 CG2 ILE A 37 5.494 4.373 4.384 1.00 0.34 C ATOM 589 CD1 ILE A 37 5.190 7.683 4.078 1.00 0.83 C ATOM 0 H ILE A 37 2.802 6.143 2.017 1.00 0.25 H new ATOM 0 HA ILE A 37 5.085 4.195 1.669 1.00 0.26 H new ATOM 0 HB ILE A 37 3.773 5.627 4.047 1.00 0.30 H new ATOM 0 HG12 ILE A 37 6.565 6.284 3.169 1.00 0.35 H new ATOM 0 HG13 ILE A 37 5.292 6.828 2.095 1.00 0.35 H new ATOM 0 HG21 ILE A 37 5.800 4.903 5.286 1.00 0.34 H new ATOM 0 HG22 ILE A 37 4.898 3.503 4.659 1.00 0.34 H new ATOM 0 HG23 ILE A 37 6.379 4.048 3.836 1.00 0.34 H new ATOM 0 HD11 ILE A 37 5.789 8.553 3.809 1.00 0.83 H new ATOM 0 HD12 ILE A 37 4.132 7.936 4.008 1.00 0.83 H new ATOM 0 HD13 ILE A 37 5.425 7.383 5.099 1.00 0.83 H new ATOM 601 N VAL A 38 3.887 2.166 2.402 1.00 0.22 N ATOM 602 CA VAL A 38 3.109 0.936 2.742 1.00 0.24 C ATOM 603 C VAL A 38 3.834 0.142 3.834 1.00 0.22 C ATOM 604 O VAL A 38 5.045 0.185 3.943 1.00 0.32 O ATOM 605 CB VAL A 38 3.042 0.130 1.439 1.00 0.28 C ATOM 606 CG1 VAL A 38 2.248 -1.158 1.670 1.00 0.33 C ATOM 607 CG2 VAL A 38 2.348 0.961 0.356 1.00 0.32 C ATOM 0 H VAL A 38 4.825 1.997 2.038 1.00 0.22 H new ATOM 0 HA VAL A 38 2.114 1.167 3.124 1.00 0.24 H new ATOM 0 HB VAL A 38 4.054 -0.117 1.119 1.00 0.28 H new ATOM 0 HG11 VAL A 38 2.202 -1.728 0.742 1.00 0.33 H new ATOM 0 HG12 VAL A 38 2.738 -1.755 2.439 1.00 0.33 H new ATOM 0 HG13 VAL A 38 1.237 -0.909 1.993 1.00 0.33 H new ATOM 0 HG21 VAL A 38 2.301 0.387 -0.569 1.00 0.32 H new ATOM 0 HG22 VAL A 38 1.337 1.210 0.680 1.00 0.32 H new ATOM 0 HG23 VAL A 38 2.911 1.879 0.185 1.00 0.32 H new ATOM 617 N ARG A 39 3.101 -0.606 4.620 1.00 0.26 N ATOM 618 CA ARG A 39 3.741 -1.436 5.684 1.00 0.28 C ATOM 619 C ARG A 39 3.447 -2.919 5.446 1.00 0.28 C ATOM 620 O ARG A 39 2.424 -3.276 4.892 1.00 0.45 O ATOM 621 CB ARG A 39 3.101 -0.965 6.991 1.00 0.34 C ATOM 622 CG ARG A 39 3.804 -1.633 8.174 1.00 0.45 C ATOM 623 CD ARG A 39 2.873 -1.633 9.389 1.00 0.88 C ATOM 624 NE ARG A 39 3.278 -0.437 10.191 1.00 1.22 N ATOM 625 CZ ARG A 39 2.983 -0.337 11.473 1.00 1.83 C ATOM 626 NH1 ARG A 39 2.284 -1.261 12.093 1.00 2.33 N ATOM 627 NH2 ARG A 39 3.395 0.705 12.141 1.00 2.62 N ATOM 0 H ARG A 39 2.085 -0.677 4.570 1.00 0.26 H new ATOM 0 HA ARG A 39 4.825 -1.326 5.698 1.00 0.28 H new ATOM 0 HB2 ARG A 39 3.176 0.119 7.075 1.00 0.34 H new ATOM 0 HB3 ARG A 39 2.040 -1.213 6.998 1.00 0.34 H new ATOM 0 HG2 ARG A 39 4.082 -2.655 7.916 1.00 0.45 H new ATOM 0 HG3 ARG A 39 4.726 -1.102 8.409 1.00 0.45 H new ATOM 0 HD2 ARG A 39 1.828 -1.568 9.085 1.00 0.88 H new ATOM 0 HD3 ARG A 39 2.980 -2.550 9.968 1.00 0.88 H new ATOM 0 HE ARG A 39 3.793 0.317 9.737 1.00 1.22 H new ATOM 0 HH11 ARG A 39 1.955 -2.081 11.582 1.00 2.33 H new ATOM 0 HH12 ARG A 39 2.070 -1.159 13.085 1.00 2.33 H new ATOM 0 HH21 ARG A 39 3.938 1.430 11.672 1.00 2.62 H new ATOM 0 HH22 ARG A 39 3.174 0.795 13.133 1.00 2.62 H new ATOM 641 N PHE A 40 4.332 -3.784 5.874 1.00 0.34 N ATOM 642 CA PHE A 40 4.105 -5.249 5.691 1.00 0.33 C ATOM 643 C PHE A 40 4.331 -5.989 7.012 1.00 0.36 C ATOM 644 O PHE A 40 4.817 -5.424 7.974 1.00 0.41 O ATOM 645 CB PHE A 40 5.139 -5.683 4.652 1.00 0.31 C ATOM 646 CG PHE A 40 4.865 -4.981 3.344 1.00 0.31 C ATOM 647 CD1 PHE A 40 3.619 -5.121 2.721 1.00 1.20 C ATOM 648 CD2 PHE A 40 5.857 -4.189 2.753 1.00 1.29 C ATOM 649 CE1 PHE A 40 3.365 -4.470 1.508 1.00 1.18 C ATOM 650 CE2 PHE A 40 5.604 -3.538 1.540 1.00 1.32 C ATOM 651 CZ PHE A 40 4.358 -3.679 0.917 1.00 0.35 C ATOM 0 H PHE A 40 5.204 -3.538 6.343 1.00 0.34 H new ATOM 0 HA PHE A 40 3.087 -5.472 5.372 1.00 0.33 H new ATOM 0 HB2 PHE A 40 6.143 -5.444 5.001 1.00 0.31 H new ATOM 0 HB3 PHE A 40 5.098 -6.763 4.512 1.00 0.31 H new ATOM 0 HD1 PHE A 40 2.853 -5.732 3.176 1.00 1.20 H new ATOM 0 HD2 PHE A 40 6.818 -4.080 3.233 1.00 1.29 H new ATOM 0 HE1 PHE A 40 2.403 -4.578 1.028 1.00 1.18 H new ATOM 0 HE2 PHE A 40 6.370 -2.927 1.085 1.00 1.32 H new ATOM 0 HZ PHE A 40 4.163 -3.178 -0.019 1.00 0.35 H new ATOM 661 N GLU A 41 4.032 -7.263 7.045 1.00 0.46 N ATOM 662 CA GLU A 41 4.284 -8.066 8.279 1.00 0.52 C ATOM 663 C GLU A 41 5.429 -9.055 8.041 1.00 0.52 C ATOM 664 O GLU A 41 6.159 -9.401 8.951 1.00 0.56 O ATOM 665 CB GLU A 41 2.976 -8.813 8.539 1.00 0.56 C ATOM 666 CG GLU A 41 2.072 -7.963 9.434 1.00 0.63 C ATOM 667 CD GLU A 41 0.615 -8.389 9.242 1.00 1.25 C ATOM 668 OE1 GLU A 41 0.212 -9.351 9.875 1.00 1.93 O ATOM 669 OE2 GLU A 41 -0.072 -7.747 8.465 1.00 1.88 O ATOM 0 H GLU A 41 3.623 -7.782 6.268 1.00 0.46 H new ATOM 0 HA GLU A 41 4.573 -7.443 9.126 1.00 0.52 H new ATOM 0 HB2 GLU A 41 2.474 -9.028 7.596 1.00 0.56 H new ATOM 0 HB3 GLU A 41 3.181 -9.771 9.016 1.00 0.56 H new ATOM 0 HG2 GLU A 41 2.362 -8.081 10.478 1.00 0.63 H new ATOM 0 HG3 GLU A 41 2.188 -6.907 9.188 1.00 0.63 H new ATOM 676 N LYS A 42 5.598 -9.497 6.821 1.00 0.50 N ATOM 677 CA LYS A 42 6.706 -10.449 6.509 1.00 0.53 C ATOM 678 C LYS A 42 7.975 -9.679 6.133 1.00 0.53 C ATOM 679 O LYS A 42 7.940 -8.485 5.904 1.00 0.68 O ATOM 680 CB LYS A 42 6.203 -11.267 5.320 1.00 0.53 C ATOM 681 CG LYS A 42 7.022 -12.554 5.201 1.00 0.61 C ATOM 682 CD LYS A 42 6.217 -13.603 4.433 1.00 1.25 C ATOM 683 CE LYS A 42 5.366 -14.414 5.414 1.00 1.85 C ATOM 684 NZ LYS A 42 5.216 -15.752 4.777 1.00 2.82 N ATOM 0 H LYS A 42 5.014 -9.239 6.025 1.00 0.50 H new ATOM 0 HA LYS A 42 6.959 -11.081 7.360 1.00 0.53 H new ATOM 0 HB2 LYS A 42 5.148 -11.506 5.450 1.00 0.53 H new ATOM 0 HB3 LYS A 42 6.287 -10.684 4.403 1.00 0.53 H new ATOM 0 HG2 LYS A 42 7.962 -12.353 4.686 1.00 0.61 H new ATOM 0 HG3 LYS A 42 7.275 -12.929 6.193 1.00 0.61 H new ATOM 0 HD2 LYS A 42 5.578 -13.118 3.696 1.00 1.25 H new ATOM 0 HD3 LYS A 42 6.889 -14.264 3.886 1.00 1.25 H new ATOM 0 HE2 LYS A 42 5.851 -14.492 6.387 1.00 1.85 H new ATOM 0 HE3 LYS A 42 4.396 -13.944 5.578 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 4.643 -16.366 5.390 1.00 2.82 H new ATOM 0 HZ2 LYS A 42 4.745 -15.647 3.856 1.00 2.82 H new ATOM 0 HZ3 LYS A 42 6.155 -16.178 4.639 1.00 2.82 H new ATOM 698 N VAL A 43 9.078 -10.371 5.998 1.00 0.63 N ATOM 699 CA VAL A 43 10.339 -9.702 5.553 1.00 0.66 C ATOM 700 C VAL A 43 10.741 -10.201 4.161 1.00 0.63 C ATOM 701 O VAL A 43 10.020 -10.950 3.530 1.00 0.61 O ATOM 702 CB VAL A 43 11.395 -10.090 6.595 1.00 0.75 C ATOM 703 CG1 VAL A 43 10.985 -9.540 7.963 1.00 0.79 C ATOM 704 CG2 VAL A 43 11.517 -11.618 6.680 1.00 0.77 C ATOM 0 H VAL A 43 9.160 -11.372 6.177 1.00 0.63 H new ATOM 0 HA VAL A 43 10.226 -8.620 5.481 1.00 0.66 H new ATOM 0 HB VAL A 43 12.356 -9.670 6.299 1.00 0.75 H new ATOM 0 HG11 VAL A 43 11.735 -9.815 8.705 1.00 0.79 H new ATOM 0 HG12 VAL A 43 10.908 -8.454 7.910 1.00 0.79 H new ATOM 0 HG13 VAL A 43 10.020 -9.959 8.249 1.00 0.79 H new ATOM 0 HG21 VAL A 43 12.270 -11.882 7.423 1.00 0.77 H new ATOM 0 HG22 VAL A 43 10.556 -12.044 6.969 1.00 0.77 H new ATOM 0 HG23 VAL A 43 11.812 -12.014 5.708 1.00 0.77 H new ATOM 714 N ASN A 44 11.904 -9.818 3.698 1.00 0.69 N ATOM 715 CA ASN A 44 12.381 -10.297 2.366 1.00 0.69 C ATOM 716 C ASN A 44 13.847 -10.735 2.452 1.00 0.73 C ATOM 717 O ASN A 44 14.380 -10.938 3.527 1.00 0.79 O ATOM 718 CB ASN A 44 12.226 -9.094 1.426 1.00 0.71 C ATOM 719 CG ASN A 44 13.052 -7.907 1.939 1.00 0.73 C ATOM 720 OD1 ASN A 44 13.545 -7.924 3.050 1.00 1.23 O ATOM 721 ND2 ASN A 44 13.225 -6.869 1.167 1.00 0.86 N ATOM 0 H ASN A 44 12.545 -9.193 4.187 1.00 0.69 H new ATOM 0 HA ASN A 44 11.816 -11.160 2.013 1.00 0.69 H new ATOM 0 HB2 ASN A 44 12.551 -9.365 0.421 1.00 0.71 H new ATOM 0 HB3 ASN A 44 11.176 -8.812 1.356 1.00 0.71 H new ATOM 0 HD21 ASN A 44 13.773 -6.074 1.496 1.00 0.86 H new ATOM 0 HD22 ASN A 44 12.812 -6.853 0.234 1.00 0.86 H new ATOM 728 N TYR A 45 14.492 -10.901 1.325 1.00 0.74 N ATOM 729 CA TYR A 45 15.919 -11.350 1.331 1.00 0.83 C ATOM 730 C TYR A 45 16.805 -10.289 1.989 1.00 0.92 C ATOM 731 O TYR A 45 17.832 -10.597 2.565 1.00 1.03 O ATOM 732 CB TYR A 45 16.295 -11.522 -0.143 1.00 0.83 C ATOM 733 CG TYR A 45 15.436 -12.599 -0.760 1.00 0.77 C ATOM 734 CD1 TYR A 45 15.481 -13.904 -0.257 1.00 1.33 C ATOM 735 CD2 TYR A 45 14.594 -12.292 -1.835 1.00 1.37 C ATOM 736 CE1 TYR A 45 14.683 -14.903 -0.829 1.00 1.31 C ATOM 737 CE2 TYR A 45 13.796 -13.290 -2.408 1.00 1.39 C ATOM 738 CZ TYR A 45 13.841 -14.596 -1.904 1.00 0.77 C ATOM 739 OH TYR A 45 13.055 -15.580 -2.468 1.00 0.82 O ATOM 0 H TYR A 45 14.092 -10.745 0.400 1.00 0.74 H new ATOM 0 HA TYR A 45 16.055 -12.273 1.894 1.00 0.83 H new ATOM 0 HB2 TYR A 45 16.157 -10.582 -0.677 1.00 0.83 H new ATOM 0 HB3 TYR A 45 17.349 -11.787 -0.232 1.00 0.83 H new ATOM 0 HD1 TYR A 45 16.131 -14.141 0.572 1.00 1.33 H new ATOM 0 HD2 TYR A 45 14.560 -11.285 -2.223 1.00 1.37 H new ATOM 0 HE1 TYR A 45 14.717 -15.910 -0.441 1.00 1.31 H new ATOM 0 HE2 TYR A 45 13.147 -13.053 -3.238 1.00 1.39 H new ATOM 0 HH TYR A 45 12.530 -15.198 -3.202 1.00 0.82 H new ATOM 749 N SER A 46 16.412 -9.043 1.911 1.00 0.91 N ATOM 750 CA SER A 46 17.224 -7.954 2.534 1.00 1.03 C ATOM 751 C SER A 46 16.919 -7.857 4.032 1.00 1.05 C ATOM 752 O SER A 46 17.760 -7.468 4.820 1.00 1.40 O ATOM 753 CB SER A 46 16.793 -6.676 1.816 1.00 1.04 C ATOM 754 OG SER A 46 17.213 -6.736 0.459 1.00 1.16 O ATOM 0 H SER A 46 15.562 -8.732 1.441 1.00 0.91 H new ATOM 0 HA SER A 46 18.295 -8.133 2.439 1.00 1.03 H new ATOM 0 HB2 SER A 46 15.710 -6.563 1.869 1.00 1.04 H new ATOM 0 HB3 SER A 46 17.229 -5.805 2.306 1.00 1.04 H new ATOM 0 HG SER A 46 16.937 -5.918 -0.005 1.00 1.16 H new ATOM 760 N GLY A 47 15.724 -8.218 4.427 1.00 0.84 N ATOM 761 CA GLY A 47 15.358 -8.160 5.873 1.00 0.86 C ATOM 762 C GLY A 47 14.741 -6.797 6.190 1.00 0.78 C ATOM 763 O GLY A 47 15.163 -6.114 7.105 1.00 0.85 O ATOM 0 H GLY A 47 14.985 -8.551 3.808 1.00 0.84 H new ATOM 0 HA2 GLY A 47 14.652 -8.955 6.112 1.00 0.86 H new ATOM 0 HA3 GLY A 47 16.242 -8.323 6.489 1.00 0.86 H new ATOM 767 N ILE A 55 13.737 -6.404 5.448 1.00 0.69 N ATOM 768 CA ILE A 55 13.074 -5.091 5.708 1.00 0.59 C ATOM 769 C ILE A 55 11.646 -5.317 6.217 1.00 0.51 C ATOM 770 O ILE A 55 11.097 -6.395 6.088 1.00 0.55 O ATOM 771 CB ILE A 55 13.059 -4.374 4.353 1.00 0.59 C ATOM 772 CG1 ILE A 55 14.495 -4.194 3.851 1.00 0.73 C ATOM 773 CG2 ILE A 55 12.403 -2.998 4.503 1.00 0.52 C ATOM 774 CD1 ILE A 55 14.474 -3.798 2.373 1.00 0.76 C ATOM 0 H ILE A 55 13.347 -6.938 4.671 1.00 0.69 H new ATOM 0 HA ILE A 55 13.594 -4.507 6.467 1.00 0.59 H new ATOM 0 HB ILE A 55 12.493 -4.972 3.639 1.00 0.59 H new ATOM 0 HG12 ILE A 55 15.003 -3.427 4.436 1.00 0.73 H new ATOM 0 HG13 ILE A 55 15.056 -5.119 3.982 1.00 0.73 H new ATOM 0 HG21 ILE A 55 12.394 -2.492 3.538 1.00 0.52 H new ATOM 0 HG22 ILE A 55 11.380 -3.120 4.858 1.00 0.52 H new ATOM 0 HG23 ILE A 55 12.967 -2.402 5.220 1.00 0.52 H new ATOM 0 HD11 ILE A 55 15.496 -3.670 2.016 1.00 0.76 H new ATOM 0 HD12 ILE A 55 13.983 -4.580 1.794 1.00 0.76 H new ATOM 0 HD13 ILE A 55 13.928 -2.862 2.255 1.00 0.76 H new ATOM 786 N ASN A 56 11.043 -4.304 6.786 1.00 0.47 N ATOM 787 CA ASN A 56 9.647 -4.448 7.299 1.00 0.48 C ATOM 788 C ASN A 56 8.730 -3.404 6.650 1.00 0.44 C ATOM 789 O ASN A 56 7.595 -3.687 6.316 1.00 0.80 O ATOM 790 CB ASN A 56 9.746 -4.219 8.812 1.00 0.69 C ATOM 791 CG ASN A 56 10.335 -2.833 9.097 1.00 0.82 C ATOM 792 OD1 ASN A 56 11.473 -2.564 8.765 1.00 1.20 O ATOM 793 ND2 ASN A 56 9.603 -1.938 9.702 1.00 1.28 N ATOM 0 H ASN A 56 11.458 -3.382 6.918 1.00 0.47 H new ATOM 0 HA ASN A 56 9.224 -5.425 7.067 1.00 0.48 H new ATOM 0 HB2 ASN A 56 8.759 -4.304 9.266 1.00 0.69 H new ATOM 0 HB3 ASN A 56 10.372 -4.989 9.264 1.00 0.69 H new ATOM 0 HD21 ASN A 56 9.986 -1.013 9.896 1.00 1.28 H new ATOM 0 HD22 ASN A 56 8.648 -2.164 9.981 1.00 1.28 H new ATOM 800 N THR A 57 9.218 -2.202 6.471 1.00 0.37 N ATOM 801 CA THR A 57 8.382 -1.134 5.845 1.00 0.35 C ATOM 802 C THR A 57 9.049 -0.623 4.565 1.00 0.30 C ATOM 803 O THR A 57 10.256 -0.672 4.422 1.00 0.45 O ATOM 804 CB THR A 57 8.309 -0.023 6.893 1.00 0.50 C ATOM 805 OG1 THR A 57 9.595 0.171 7.465 1.00 0.61 O ATOM 806 CG2 THR A 57 7.315 -0.415 7.987 1.00 0.56 C ATOM 0 H THR A 57 10.161 -1.914 6.732 1.00 0.37 H new ATOM 0 HA THR A 57 7.392 -1.495 5.565 1.00 0.35 H new ATOM 0 HB THR A 57 7.978 0.902 6.420 1.00 0.50 H new ATOM 0 HG1 THR A 57 9.550 0.884 8.136 1.00 0.61 H new ATOM 0 HG21 THR A 57 7.264 0.378 8.733 1.00 0.56 H new ATOM 0 HG22 THR A 57 6.329 -0.563 7.547 1.00 0.56 H new ATOM 0 HG23 THR A 57 7.643 -1.340 8.462 1.00 0.56 H new ATOM 814 N ASN A 58 8.271 -0.102 3.650 1.00 0.23 N ATOM 815 CA ASN A 58 8.852 0.452 2.390 1.00 0.21 C ATOM 816 C ASN A 58 7.960 1.570 1.844 1.00 0.19 C ATOM 817 O ASN A 58 7.032 2.009 2.497 1.00 0.24 O ATOM 818 CB ASN A 58 8.889 -0.729 1.419 1.00 0.25 C ATOM 819 CG ASN A 58 10.274 -1.378 1.455 1.00 0.43 C ATOM 820 OD1 ASN A 58 10.567 -2.163 2.335 1.00 1.22 O ATOM 821 ND2 ASN A 58 11.144 -1.082 0.529 1.00 1.16 N ATOM 0 H ASN A 58 7.256 -0.036 3.722 1.00 0.23 H new ATOM 0 HA ASN A 58 9.841 0.883 2.545 1.00 0.21 H new ATOM 0 HB2 ASN A 58 8.127 -1.460 1.689 1.00 0.25 H new ATOM 0 HB3 ASN A 58 8.661 -0.390 0.409 1.00 0.25 H new ATOM 0 HD21 ASN A 58 12.070 -1.510 0.544 1.00 1.16 H new ATOM 0 HD22 ASN A 58 10.898 -0.423 -0.210 1.00 1.16 H new ATOM 828 N ASN A 59 8.228 2.021 0.645 1.00 0.21 N ATOM 829 CA ASN A 59 7.391 3.100 0.040 1.00 0.19 C ATOM 830 C ASN A 59 6.938 2.694 -1.365 1.00 0.18 C ATOM 831 O ASN A 59 7.730 2.256 -2.178 1.00 0.26 O ATOM 832 CB ASN A 59 8.307 4.323 -0.024 1.00 0.26 C ATOM 833 CG ASN A 59 8.723 4.725 1.392 1.00 0.32 C ATOM 834 OD1 ASN A 59 9.316 3.943 2.108 1.00 0.41 O ATOM 835 ND2 ASN A 59 8.434 5.920 1.830 1.00 0.58 N ATOM 0 H ASN A 59 8.992 1.687 0.058 1.00 0.21 H new ATOM 0 HA ASN A 59 6.489 3.296 0.619 1.00 0.19 H new ATOM 0 HB2 ASN A 59 9.189 4.099 -0.623 1.00 0.26 H new ATOM 0 HB3 ASN A 59 7.792 5.151 -0.512 1.00 0.26 H new ATOM 0 HD21 ASN A 59 8.706 6.197 2.773 1.00 0.58 H new ATOM 0 HD22 ASN A 59 7.936 6.577 1.229 1.00 0.58 H new ATOM 842 N PHE A 60 5.673 2.858 -1.660 1.00 0.15 N ATOM 843 CA PHE A 60 5.164 2.507 -3.020 1.00 0.14 C ATOM 844 C PHE A 60 4.350 3.668 -3.597 1.00 0.16 C ATOM 845 O PHE A 60 3.834 4.496 -2.870 1.00 0.21 O ATOM 846 CB PHE A 60 4.272 1.283 -2.806 1.00 0.15 C ATOM 847 CG PHE A 60 5.104 0.139 -2.276 1.00 0.19 C ATOM 848 CD1 PHE A 60 5.478 0.111 -0.928 1.00 1.24 C ATOM 849 CD2 PHE A 60 5.501 -0.894 -3.134 1.00 1.17 C ATOM 850 CE1 PHE A 60 6.249 -0.949 -0.436 1.00 1.27 C ATOM 851 CE2 PHE A 60 6.272 -1.954 -2.642 1.00 1.17 C ATOM 852 CZ PHE A 60 6.646 -1.981 -1.293 1.00 0.30 C ATOM 0 H PHE A 60 4.970 3.221 -1.016 1.00 0.15 H new ATOM 0 HA PHE A 60 5.972 2.305 -3.723 1.00 0.14 H new ATOM 0 HB2 PHE A 60 3.473 1.521 -2.104 1.00 0.15 H new ATOM 0 HB3 PHE A 60 3.798 0.997 -3.745 1.00 0.15 H new ATOM 0 HD1 PHE A 60 5.172 0.908 -0.266 1.00 1.24 H new ATOM 0 HD2 PHE A 60 5.213 -0.873 -4.175 1.00 1.17 H new ATOM 0 HE1 PHE A 60 6.537 -0.970 0.605 1.00 1.27 H new ATOM 0 HE2 PHE A 60 6.578 -2.751 -3.303 1.00 1.17 H new ATOM 0 HZ PHE A 60 7.241 -2.799 -0.914 1.00 0.30 H new ATOM 862 N ALA A 61 4.192 3.703 -4.896 1.00 0.17 N ATOM 863 CA ALA A 61 3.362 4.773 -5.527 1.00 0.21 C ATOM 864 C ALA A 61 1.892 4.346 -5.570 1.00 0.18 C ATOM 865 O ALA A 61 1.582 3.169 -5.597 1.00 0.17 O ATOM 866 CB ALA A 61 3.919 4.925 -6.942 1.00 0.26 C ATOM 0 H ALA A 61 4.603 3.035 -5.548 1.00 0.17 H new ATOM 0 HA ALA A 61 3.404 5.710 -4.971 1.00 0.21 H new ATOM 0 HB1 ALA A 61 3.360 5.696 -7.472 1.00 0.26 H new ATOM 0 HB2 ALA A 61 4.970 5.210 -6.891 1.00 0.26 H new ATOM 0 HB3 ALA A 61 3.825 3.978 -7.474 1.00 0.26 H new ATOM 872 N GLU A 62 0.989 5.291 -5.490 1.00 0.20 N ATOM 873 CA GLU A 62 -0.465 4.942 -5.428 1.00 0.20 C ATOM 874 C GLU A 62 -0.883 4.163 -6.681 1.00 0.18 C ATOM 875 O GLU A 62 -1.699 3.262 -6.617 1.00 0.18 O ATOM 876 CB GLU A 62 -1.204 6.285 -5.351 1.00 0.25 C ATOM 877 CG GLU A 62 -0.880 7.138 -6.584 1.00 0.26 C ATOM 878 CD GLU A 62 -1.116 8.614 -6.260 1.00 0.96 C ATOM 879 OE1 GLU A 62 -2.266 8.988 -6.101 1.00 1.57 O ATOM 880 OE2 GLU A 62 -0.143 9.345 -6.176 1.00 1.70 O ATOM 0 H GLU A 62 1.195 6.290 -5.465 1.00 0.20 H new ATOM 0 HA GLU A 62 -0.695 4.307 -4.573 1.00 0.20 H new ATOM 0 HB2 GLU A 62 -2.279 6.114 -5.290 1.00 0.25 H new ATOM 0 HB3 GLU A 62 -0.914 6.817 -4.445 1.00 0.25 H new ATOM 0 HG2 GLU A 62 0.156 6.982 -6.885 1.00 0.26 H new ATOM 0 HG3 GLU A 62 -1.505 6.835 -7.424 1.00 0.26 H new ATOM 887 N ASP A 63 -0.341 4.517 -7.818 1.00 0.18 N ATOM 888 CA ASP A 63 -0.717 3.813 -9.085 1.00 0.19 C ATOM 889 C ASP A 63 -0.330 2.331 -9.009 1.00 0.18 C ATOM 890 O ASP A 63 -0.923 1.495 -9.665 1.00 0.20 O ATOM 891 CB ASP A 63 0.066 4.523 -10.197 1.00 0.23 C ATOM 892 CG ASP A 63 1.569 4.450 -9.909 1.00 0.23 C ATOM 893 OD1 ASP A 63 1.981 4.969 -8.885 1.00 1.06 O ATOM 894 OD2 ASP A 63 2.281 3.878 -10.718 1.00 1.09 O ATOM 0 H ASP A 63 0.346 5.263 -7.926 1.00 0.18 H new ATOM 0 HA ASP A 63 -1.791 3.848 -9.266 1.00 0.19 H new ATOM 0 HB2 ASP A 63 -0.151 4.059 -11.159 1.00 0.23 H new ATOM 0 HB3 ASP A 63 -0.249 5.564 -10.267 1.00 0.23 H new ATOM 899 N GLU A 64 0.655 2.002 -8.209 1.00 0.16 N ATOM 900 CA GLU A 64 1.077 0.575 -8.081 1.00 0.18 C ATOM 901 C GLU A 64 0.416 -0.069 -6.858 1.00 0.15 C ATOM 902 O GLU A 64 0.928 -1.019 -6.297 1.00 0.17 O ATOM 903 CB GLU A 64 2.595 0.626 -7.904 1.00 0.21 C ATOM 904 CG GLU A 64 3.241 1.165 -9.182 1.00 0.28 C ATOM 905 CD GLU A 64 4.664 1.637 -8.875 1.00 0.32 C ATOM 906 OE1 GLU A 64 4.875 2.151 -7.789 1.00 0.36 O ATOM 907 OE2 GLU A 64 5.518 1.477 -9.732 1.00 0.88 O ATOM 0 H GLU A 64 1.184 2.662 -7.639 1.00 0.16 H new ATOM 0 HA GLU A 64 0.786 -0.019 -8.947 1.00 0.18 H new ATOM 0 HB2 GLU A 64 2.852 1.263 -7.058 1.00 0.21 H new ATOM 0 HB3 GLU A 64 2.979 -0.369 -7.682 1.00 0.21 H new ATOM 0 HG2 GLU A 64 3.261 0.389 -9.947 1.00 0.28 H new ATOM 0 HG3 GLU A 64 2.651 1.990 -9.580 1.00 0.28 H new ATOM 914 N LEU A 65 -0.739 0.413 -6.473 1.00 0.12 N ATOM 915 CA LEU A 65 -1.466 -0.200 -5.321 1.00 0.12 C ATOM 916 C LEU A 65 -2.963 -0.289 -5.627 1.00 0.16 C ATOM 917 O LEU A 65 -3.552 0.637 -6.152 1.00 0.33 O ATOM 918 CB LEU A 65 -1.215 0.744 -4.145 1.00 0.14 C ATOM 919 CG LEU A 65 0.254 0.661 -3.725 1.00 0.16 C ATOM 920 CD1 LEU A 65 0.538 1.711 -2.649 1.00 0.24 C ATOM 921 CD2 LEU A 65 0.546 -0.733 -3.164 1.00 0.20 C ATOM 0 H LEU A 65 -1.210 1.206 -6.908 1.00 0.12 H new ATOM 0 HA LEU A 65 -1.124 -1.213 -5.110 1.00 0.12 H new ATOM 0 HB2 LEU A 65 -1.466 1.767 -4.426 1.00 0.14 H new ATOM 0 HB3 LEU A 65 -1.859 0.477 -3.307 1.00 0.14 H new ATOM 0 HG LEU A 65 0.890 0.846 -4.591 1.00 0.16 H new ATOM 0 HD11 LEU A 65 1.584 1.652 -2.350 1.00 0.24 H new ATOM 0 HD12 LEU A 65 0.330 2.704 -3.046 1.00 0.24 H new ATOM 0 HD13 LEU A 65 -0.098 1.526 -1.783 1.00 0.24 H new ATOM 0 HD21 LEU A 65 1.592 -0.793 -2.865 1.00 0.20 H new ATOM 0 HD22 LEU A 65 -0.090 -0.917 -2.298 1.00 0.20 H new ATOM 0 HD23 LEU A 65 0.344 -1.483 -3.929 1.00 0.20 H new ATOM 933 N VAL A 66 -3.593 -1.367 -5.235 1.00 0.17 N ATOM 934 CA VAL A 66 -5.071 -1.489 -5.424 1.00 0.19 C ATOM 935 C VAL A 66 -5.774 -1.482 -4.062 1.00 0.17 C ATOM 936 O VAL A 66 -5.305 -2.077 -3.111 1.00 0.23 O ATOM 937 CB VAL A 66 -5.276 -2.833 -6.133 1.00 0.23 C ATOM 938 CG1 VAL A 66 -6.768 -3.060 -6.388 1.00 0.28 C ATOM 939 CG2 VAL A 66 -4.532 -2.826 -7.472 1.00 0.29 C ATOM 0 H VAL A 66 -3.147 -2.170 -4.791 1.00 0.17 H new ATOM 0 HA VAL A 66 -5.485 -0.663 -6.002 1.00 0.19 H new ATOM 0 HB VAL A 66 -4.888 -3.633 -5.502 1.00 0.23 H new ATOM 0 HG11 VAL A 66 -6.910 -4.016 -6.892 1.00 0.28 H new ATOM 0 HG12 VAL A 66 -7.302 -3.068 -5.438 1.00 0.28 H new ATOM 0 HG13 VAL A 66 -7.156 -2.258 -7.016 1.00 0.28 H new ATOM 0 HG21 VAL A 66 -4.679 -3.782 -7.975 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -4.919 -2.023 -8.099 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -3.468 -2.668 -7.296 1.00 0.29 H new ATOM 949 N GLU A 67 -6.910 -0.838 -3.976 1.00 0.22 N ATOM 950 CA GLU A 67 -7.669 -0.817 -2.688 1.00 0.22 C ATOM 951 C GLU A 67 -8.410 -2.143 -2.491 1.00 0.23 C ATOM 952 O GLU A 67 -9.277 -2.499 -3.267 1.00 0.34 O ATOM 953 CB GLU A 67 -8.663 0.337 -2.829 1.00 0.30 C ATOM 954 CG GLU A 67 -8.816 1.047 -1.483 1.00 0.69 C ATOM 955 CD GLU A 67 -10.219 1.647 -1.377 1.00 1.64 C ATOM 956 OE1 GLU A 67 -10.691 2.177 -2.369 1.00 2.35 O ATOM 957 OE2 GLU A 67 -10.798 1.565 -0.307 1.00 2.35 O ATOM 0 H GLU A 67 -7.346 -0.325 -4.743 1.00 0.22 H new ATOM 0 HA GLU A 67 -7.015 -0.686 -1.826 1.00 0.22 H new ATOM 0 HB2 GLU A 67 -8.315 1.040 -3.585 1.00 0.30 H new ATOM 0 HB3 GLU A 67 -9.629 -0.040 -3.165 1.00 0.30 H new ATOM 0 HG2 GLU A 67 -8.648 0.343 -0.668 1.00 0.69 H new ATOM 0 HG3 GLU A 67 -8.066 1.832 -1.387 1.00 0.69 H new ATOM 964 N VAL A 68 -8.067 -2.876 -1.462 1.00 0.25 N ATOM 965 CA VAL A 68 -8.739 -4.187 -1.212 1.00 0.30 C ATOM 966 C VAL A 68 -9.059 -4.344 0.280 1.00 0.43 C ATOM 967 O VAL A 68 -8.557 -5.234 0.942 1.00 0.84 O ATOM 968 CB VAL A 68 -7.734 -5.252 -1.670 1.00 0.25 C ATOM 969 CG1 VAL A 68 -7.470 -5.089 -3.168 1.00 0.26 C ATOM 970 CG2 VAL A 68 -6.414 -5.097 -0.902 1.00 0.31 C ATOM 0 H VAL A 68 -7.349 -2.622 -0.783 1.00 0.25 H new ATOM 0 HA VAL A 68 -9.685 -4.272 -1.747 1.00 0.30 H new ATOM 0 HB VAL A 68 -8.148 -6.241 -1.472 1.00 0.25 H new ATOM 0 HG11 VAL A 68 -6.756 -5.845 -3.496 1.00 0.26 H new ATOM 0 HG12 VAL A 68 -8.404 -5.209 -3.717 1.00 0.26 H new ATOM 0 HG13 VAL A 68 -7.062 -4.097 -3.360 1.00 0.26 H new ATOM 0 HG21 VAL A 68 -5.708 -5.858 -1.235 1.00 0.31 H new ATOM 0 HG22 VAL A 68 -5.997 -4.108 -1.091 1.00 0.31 H new ATOM 0 HG23 VAL A 68 -6.598 -5.215 0.166 1.00 0.31 H new ATOM 980 N GLU A 69 -9.893 -3.485 0.808 1.00 0.67 N ATOM 981 CA GLU A 69 -10.254 -3.574 2.254 1.00 0.81 C ATOM 982 C GLU A 69 -11.384 -4.588 2.457 1.00 1.49 C ATOM 983 O GLU A 69 -12.094 -4.931 1.530 1.00 2.27 O ATOM 984 CB GLU A 69 -10.721 -2.169 2.634 1.00 1.07 C ATOM 985 CG GLU A 69 -10.449 -1.923 4.119 1.00 1.09 C ATOM 986 CD GLU A 69 -10.419 -0.418 4.390 1.00 1.86 C ATOM 987 OE1 GLU A 69 -11.478 0.187 4.380 1.00 2.59 O ATOM 988 OE2 GLU A 69 -9.337 0.105 4.604 1.00 2.49 O ATOM 0 H GLU A 69 -10.341 -2.724 0.298 1.00 0.67 H new ATOM 0 HA GLU A 69 -9.416 -3.905 2.868 1.00 0.81 H new ATOM 0 HB2 GLU A 69 -10.200 -1.426 2.030 1.00 1.07 H new ATOM 0 HB3 GLU A 69 -11.785 -2.060 2.426 1.00 1.07 H new ATOM 0 HG2 GLU A 69 -11.222 -2.397 4.724 1.00 1.09 H new ATOM 0 HG3 GLU A 69 -9.499 -2.374 4.405 1.00 1.09 H new ATOM 995 N ALA A 70 -11.575 -5.040 3.670 1.00 1.85 N ATOM 996 CA ALA A 70 -12.686 -6.003 3.953 1.00 2.62 C ATOM 997 C ALA A 70 -14.043 -5.368 3.597 1.00 2.44 C ATOM 998 O ALA A 70 -14.470 -4.441 4.256 1.00 2.23 O ATOM 999 CB ALA A 70 -12.607 -6.275 5.457 1.00 3.42 C ATOM 0 H ALA A 70 -11.009 -4.784 4.479 1.00 1.85 H new ATOM 0 HA ALA A 70 -12.595 -6.918 3.367 1.00 2.62 H new ATOM 0 HB1 ALA A 70 -13.393 -6.975 5.742 1.00 3.42 H new ATOM 0 HB2 ALA A 70 -11.634 -6.703 5.699 1.00 3.42 H new ATOM 0 HB3 ALA A 70 -12.738 -5.341 6.003 1.00 3.42 H new ATOM 1005 N PRO A 71 -14.691 -5.879 2.564 1.00 3.16 N ATOM 1006 CA PRO A 71 -16.013 -5.326 2.148 1.00 3.51 C ATOM 1007 C PRO A 71 -16.990 -5.288 3.332 1.00 3.43 C ATOM 1008 O PRO A 71 -16.819 -5.991 4.310 1.00 3.38 O ATOM 1009 CB PRO A 71 -16.499 -6.310 1.087 1.00 4.40 C ATOM 1010 CG PRO A 71 -15.256 -6.942 0.552 1.00 4.81 C ATOM 1011 CD PRO A 71 -14.274 -6.992 1.691 1.00 4.11 C ATOM 0 HA PRO A 71 -15.942 -4.302 1.781 1.00 3.51 H new ATOM 0 HB2 PRO A 71 -17.168 -7.056 1.516 1.00 4.40 H new ATOM 0 HB3 PRO A 71 -17.054 -5.800 0.299 1.00 4.40 H new ATOM 0 HG2 PRO A 71 -15.462 -7.943 0.174 1.00 4.81 H new ATOM 0 HG3 PRO A 71 -14.855 -6.364 -0.280 1.00 4.81 H new ATOM 0 HD2 PRO A 71 -14.316 -7.948 2.214 1.00 4.11 H new ATOM 0 HD3 PRO A 71 -13.249 -6.864 1.342 1.00 4.11 H new ATOM 1019 N LYS A 72 -18.029 -4.499 3.228 1.00 3.97 N ATOM 1020 CA LYS A 72 -19.045 -4.442 4.321 1.00 4.47 C ATOM 1021 C LYS A 72 -20.038 -5.600 4.182 1.00 5.09 C ATOM 1022 O LYS A 72 -20.454 -5.942 3.091 1.00 5.36 O ATOM 1023 CB LYS A 72 -19.756 -3.101 4.133 1.00 4.96 C ATOM 1024 CG LYS A 72 -20.247 -2.585 5.488 1.00 5.39 C ATOM 1025 CD LYS A 72 -19.220 -1.609 6.068 1.00 5.98 C ATOM 1026 CE LYS A 72 -18.100 -2.391 6.759 1.00 6.50 C ATOM 1027 NZ LYS A 72 -16.977 -2.399 5.781 1.00 7.19 N ATOM 0 H LYS A 72 -18.217 -3.891 2.431 1.00 3.97 H new ATOM 0 HA LYS A 72 -18.593 -4.528 5.309 1.00 4.47 H new ATOM 0 HB2 LYS A 72 -19.077 -2.378 3.682 1.00 4.96 H new ATOM 0 HB3 LYS A 72 -20.598 -3.217 3.450 1.00 4.96 H new ATOM 0 HG2 LYS A 72 -21.210 -2.089 5.372 1.00 5.39 H new ATOM 0 HG3 LYS A 72 -20.398 -3.419 6.173 1.00 5.39 H new ATOM 0 HD2 LYS A 72 -18.806 -0.987 5.274 1.00 5.98 H new ATOM 0 HD3 LYS A 72 -19.702 -0.939 6.780 1.00 5.98 H new ATOM 0 HE2 LYS A 72 -17.805 -1.915 7.695 1.00 6.50 H new ATOM 0 HE3 LYS A 72 -18.418 -3.405 7.003 1.00 6.50 H new ATOM 0 HZ1 LYS A 72 -16.551 -3.347 5.750 1.00 7.19 H new ATOM 0 HZ2 LYS A 72 -17.337 -2.150 4.837 1.00 7.19 H new ATOM 0 HZ3 LYS A 72 -16.258 -1.706 6.072 1.00 7.19 H new ATOM 1041 N ALA A 73 -20.435 -6.186 5.282 1.00 5.65 N ATOM 1042 CA ALA A 73 -21.423 -7.305 5.227 1.00 6.49 C ATOM 1043 C ALA A 73 -22.850 -6.758 5.323 1.00 6.96 C ATOM 1044 O ALA A 73 -23.659 -7.245 6.092 1.00 7.04 O ATOM 1045 CB ALA A 73 -21.100 -8.178 6.440 1.00 7.16 C ATOM 0 H ALA A 73 -20.117 -5.937 6.219 1.00 5.65 H new ATOM 0 HA ALA A 73 -21.361 -7.865 4.294 1.00 6.49 H new ATOM 0 HB1 ALA A 73 -21.785 -9.025 6.471 1.00 7.16 H new ATOM 0 HB2 ALA A 73 -20.075 -8.542 6.364 1.00 7.16 H new ATOM 0 HB3 ALA A 73 -21.209 -7.590 7.351 1.00 7.16 H new ATOM 1051 N LYS A 74 -23.174 -5.778 4.518 1.00 7.55 N ATOM 1052 CA LYS A 74 -24.562 -5.225 4.523 1.00 8.22 C ATOM 1053 C LYS A 74 -24.772 -4.308 3.306 1.00 8.63 C ATOM 1054 O LYS A 74 -24.675 -3.102 3.424 1.00 8.87 O ATOM 1055 CB LYS A 74 -24.666 -4.426 5.823 1.00 8.71 C ATOM 1056 CG LYS A 74 -26.106 -4.471 6.337 1.00 8.98 C ATOM 1057 CD LYS A 74 -26.391 -5.848 6.941 1.00 9.67 C ATOM 1058 CE LYS A 74 -25.737 -5.946 8.321 1.00 10.28 C ATOM 1059 NZ LYS A 74 -25.275 -7.359 8.427 1.00 10.98 N ATOM 0 H LYS A 74 -22.536 -5.336 3.856 1.00 7.55 H new ATOM 0 HA LYS A 74 -25.319 -6.007 4.465 1.00 8.22 H new ATOM 0 HB2 LYS A 74 -23.989 -4.839 6.571 1.00 8.71 H new ATOM 0 HB3 LYS A 74 -24.362 -3.393 5.653 1.00 8.71 H new ATOM 0 HG2 LYS A 74 -26.260 -3.695 7.086 1.00 8.98 H new ATOM 0 HG3 LYS A 74 -26.801 -4.269 5.522 1.00 8.98 H new ATOM 0 HD2 LYS A 74 -27.466 -6.005 7.025 1.00 9.67 H new ATOM 0 HD3 LYS A 74 -26.005 -6.630 6.288 1.00 9.67 H new ATOM 0 HE2 LYS A 74 -24.903 -5.250 8.413 1.00 10.28 H new ATOM 0 HE3 LYS A 74 -26.446 -5.702 9.112 1.00 10.28 H new ATOM 0 HZ1 LYS A 74 -24.755 -7.488 9.319 1.00 10.98 H new ATOM 0 HZ2 LYS A 74 -26.097 -7.995 8.410 1.00 10.98 H new ATOM 0 HZ3 LYS A 74 -24.649 -7.581 7.626 1.00 10.98 H new ATOM 1073 N PRO A 75 -25.054 -4.905 2.163 1.00 8.96 N ATOM 1074 CA PRO A 75 -25.276 -4.109 0.921 1.00 9.61 C ATOM 1075 C PRO A 75 -26.337 -3.024 1.146 1.00 9.99 C ATOM 1076 O PRO A 75 -26.054 -1.843 1.072 1.00 10.02 O ATOM 1077 CB PRO A 75 -25.775 -5.144 -0.085 1.00 10.08 C ATOM 1078 CG PRO A 75 -25.242 -6.449 0.409 1.00 9.72 C ATOM 1079 CD PRO A 75 -25.188 -6.351 1.910 1.00 9.04 C ATOM 0 HA PRO A 75 -24.378 -3.588 0.590 1.00 9.61 H new ATOM 0 HB2 PRO A 75 -26.864 -5.155 -0.133 1.00 10.08 H new ATOM 0 HB3 PRO A 75 -25.414 -4.925 -1.090 1.00 10.08 H new ATOM 0 HG2 PRO A 75 -25.884 -7.273 0.097 1.00 9.72 H new ATOM 0 HG3 PRO A 75 -24.252 -6.644 -0.002 1.00 9.72 H new ATOM 0 HD2 PRO A 75 -26.089 -6.756 2.370 1.00 9.04 H new ATOM 0 HD3 PRO A 75 -24.344 -6.908 2.317 1.00 9.04 H new ATOM 1087 N LYS A 76 -27.549 -3.420 1.442 1.00 10.48 N ATOM 1088 CA LYS A 76 -28.629 -2.421 1.699 1.00 11.06 C ATOM 1089 C LYS A 76 -29.847 -3.107 2.324 1.00 11.49 C ATOM 1090 O LYS A 76 -30.410 -4.025 1.758 1.00 11.78 O ATOM 1091 CB LYS A 76 -28.980 -1.855 0.323 1.00 11.56 C ATOM 1092 CG LYS A 76 -29.705 -0.517 0.491 1.00 12.01 C ATOM 1093 CD LYS A 76 -28.693 0.568 0.863 1.00 12.53 C ATOM 1094 CE LYS A 76 -29.362 1.599 1.775 1.00 13.08 C ATOM 1095 NZ LYS A 76 -29.035 1.157 3.159 1.00 13.80 N ATOM 0 H LYS A 76 -27.837 -4.396 1.517 1.00 10.48 H new ATOM 0 HA LYS A 76 -28.314 -1.641 2.392 1.00 11.06 H new ATOM 0 HB2 LYS A 76 -28.074 -1.718 -0.268 1.00 11.56 H new ATOM 0 HB3 LYS A 76 -29.612 -2.557 -0.221 1.00 11.56 H new ATOM 0 HG2 LYS A 76 -30.217 -0.250 -0.433 1.00 12.01 H new ATOM 0 HG3 LYS A 76 -30.468 -0.599 1.266 1.00 12.01 H new ATOM 0 HD2 LYS A 76 -27.835 0.123 1.367 1.00 12.53 H new ATOM 0 HD3 LYS A 76 -28.317 1.053 -0.038 1.00 12.53 H new ATOM 0 HE2 LYS A 76 -28.983 2.603 1.581 1.00 13.08 H new ATOM 0 HE3 LYS A 76 -30.440 1.628 1.614 1.00 13.08 H new ATOM 0 HZ1 LYS A 76 -29.460 1.815 3.843 1.00 13.80 H new ATOM 0 HZ2 LYS A 76 -29.414 0.201 3.317 1.00 13.80 H new ATOM 0 HZ3 LYS A 76 -28.003 1.145 3.285 1.00 13.80 H new ATOM 1109 N LYS A 77 -30.259 -2.661 3.484 1.00 11.74 N ATOM 1110 CA LYS A 77 -31.447 -3.273 4.150 1.00 12.40 C ATOM 1111 C LYS A 77 -32.737 -2.656 3.603 1.00 12.83 C ATOM 1112 O LYS A 77 -33.757 -3.324 3.650 1.00 12.93 O ATOM 1113 CB LYS A 77 -31.282 -2.945 5.634 1.00 12.65 C ATOM 1114 CG LYS A 77 -30.002 -3.595 6.163 1.00 12.70 C ATOM 1115 CD LYS A 77 -29.953 -3.464 7.686 1.00 13.15 C ATOM 1116 CE LYS A 77 -28.502 -3.294 8.140 1.00 13.61 C ATOM 1117 NZ LYS A 77 -28.586 -2.555 9.430 1.00 14.16 N ATOM 1118 OXT LYS A 77 -32.683 -1.526 3.148 1.00 13.22 O ATOM 0 H LYS A 77 -29.822 -1.897 3.999 1.00 11.74 H new ATOM 0 HA LYS A 77 -31.511 -4.347 3.975 1.00 12.40 H new ATOM 0 HB2 LYS A 77 -31.239 -1.865 5.776 1.00 12.65 H new ATOM 0 HB3 LYS A 77 -32.144 -3.306 6.195 1.00 12.65 H new ATOM 0 HG2 LYS A 77 -29.971 -4.646 5.877 1.00 12.70 H new ATOM 0 HG3 LYS A 77 -29.129 -3.118 5.718 1.00 12.70 H new ATOM 0 HD2 LYS A 77 -30.548 -2.609 8.007 1.00 13.15 H new ATOM 0 HD3 LYS A 77 -30.389 -4.348 8.151 1.00 13.15 H new ATOM 0 HE2 LYS A 77 -28.013 -4.260 8.269 1.00 13.61 H new ATOM 0 HE3 LYS A 77 -27.921 -2.739 7.404 1.00 13.61 H new ATOM 0 HZ1 LYS A 77 -27.628 -2.400 9.804 1.00 14.16 H new ATOM 0 HZ2 LYS A 77 -29.050 -1.637 9.275 1.00 14.16 H new ATOM 0 HZ3 LYS A 77 -29.139 -3.111 10.113 1.00 14.16 H new TER 1132 LYS A 77 END