USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 327 hydrogens (0 hets) HEADER VIRAL PROTEIN 11-MAY-99 2GP8 TITLE NMR SOLUTION STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN TITLE 2 OF BACTERIOPHAGE P22 SCAFFOLDING PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (SCAFFOLDING PROTEIN); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL FUNCTIONAL DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; SOURCE 3 ORGANISM_TAXID: 10754; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: NF1829; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3A KEYWDS SCAFFOLDING PROTEIN, COAT PROTEIN-BINDING DOMAIN, HELIX- KEYWDS 2 LOOP-HELIX MOTIF, VIRAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Y.SUN,M.H.PARKER,P.WEIGELE,S.CASJENS,P.E.PREVELIGE JR., AUTHOR 2 N.R.KRISHNA REVDAT 4 24-FEB-09 2GP8 1 VERSN REVDAT 3 06-JAN-04 2GP8 3 ATOM REVDAT 2 24-APR-00 2GP8 1 JRNL HEADER REVDAT 1 17-MAY-99 2GP8 0 JRNL AUTH Y.SUN,M.H.PARKER,P.WEIGELE,S.CASJENS, JRNL AUTH 2 P.E.PREVELIGE JR.,N.R.KRISHNA JRNL TITL STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN OF JRNL TITL 2 THE SCAFFOLDING PROTEIN FROM A DOUBLE-STRANDED DNA JRNL TITL 3 VIRUS. JRNL REF J.MOL.BIOL. V. 297 1195 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10764583 JRNL DOI 10.1006/JMBI.2000.3620 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. THE REFINEMENT WAS CARRIED OUT ON THE REMARK 3 C-TERMINAL 40-RESIDUE SEGMENT. REMARK 4 REMARK 4 2GP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAY-99. REMARK 100 THE RCSB ID CODE IS RCSB001047. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 4.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 10% WATER/90% D2O, 99.9% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY, 15N REMARK 210 EDITED 3D NOESY-HSQC, TOCSYHMQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AM600, AVANCE600, INOVA600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: AVERAGE STRUCTURE. EXPERIMENTS WERE DONE ON THE C- REMARK 210 TERMINAL 67-RESIDUE (238-303 PLUS ALANINE AT THE N-TERNINUS) REMARK 210 SCAFFOLDING PROTEIN. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 265 30.83 -88.84 REMARK 500 VAL A 268 176.89 -48.36 REMARK 500 SER A 269 -37.52 -33.77 REMARK 500 ALA A 282 -70.40 -53.64 REMARK 500 ALA A 284 -78.65 -74.99 REMARK 500 SER A 285 44.79 -84.86 REMARK 500 ILE A 302 102.94 -47.35 REMARK 500 REMARK 500 REMARK: NULL DBREF 2GP8 A 264 303 UNP P26748 VG08_BPP22 264 303 SEQRES 1 A 40 ILE THR GLY ASP VAL SER ALA ALA ASN LYS ASP ALA ILE SEQRES 2 A 40 ARG LYS GLN MET ASP ALA ALA ALA SER LYS GLY ASP VAL SEQRES 3 A 40 GLU THR TYR ARG LYS LEU LYS ALA LYS LEU LYS GLY ILE SEQRES 4 A 40 ARG HELIX 1 1 VAL A 268 SER A 285 1 18 HELIX 2 2 ASP A 288 ILE A 302 1 15 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 Single : A 265 THR OG1 : rot -52:sc= 0.105 USER MOD Single : A 269 SER OG : rot 180:sc= -0.15 USER MOD Single : A 272 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.6!) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.9!) USER MOD Single : A 280 MET CE :methyl -159:sc= -0.23 (180deg=-0.962) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 LYS NZ :NH3+ -153:sc= -0.332 (180deg=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -15.859 3.755 12.962 1.00 7.03 N ATOM 2 CA ILE A 264 -16.471 2.634 12.190 1.00 6.37 C ATOM 3 C ILE A 264 -15.377 1.808 11.508 1.00 5.32 C ATOM 4 O ILE A 264 -14.389 2.337 11.037 1.00 5.05 O ATOM 5 CB ILE A 264 -17.365 3.307 11.148 1.00 6.87 C ATOM 6 CG1 ILE A 264 -18.097 2.236 10.335 1.00 7.49 C ATOM 7 CG2 ILE A 264 -16.506 4.159 10.213 1.00 7.18 C ATOM 8 CD1 ILE A 264 -18.914 2.907 9.231 1.00 8.17 C ATOM 0 HA ILE A 264 -17.035 1.953 12.827 1.00 6.37 H new ATOM 0 HB ILE A 264 -18.094 3.942 11.651 1.00 6.87 H new ATOM 0 HG12 ILE A 264 -17.380 1.540 9.900 1.00 7.49 H new ATOM 0 HG13 ILE A 264 -18.751 1.654 10.985 1.00 7.49 H new ATOM 0 HG21 ILE A 264 -17.143 4.639 9.470 1.00 7.18 H new ATOM 0 HG22 ILE A 264 -15.985 4.922 10.792 1.00 7.18 H new ATOM 0 HG23 ILE A 264 -15.777 3.524 9.710 1.00 7.18 H new ATOM 0 HD11 ILE A 264 -19.436 2.146 8.651 1.00 8.17 H new ATOM 0 HD12 ILE A 264 -19.641 3.585 9.678 1.00 8.17 H new ATOM 0 HD13 ILE A 264 -18.248 3.469 8.576 1.00 8.17 H new ATOM 22 N THR A 265 -15.542 0.515 11.458 1.00 5.13 N ATOM 23 CA THR A 265 -14.509 -0.346 10.814 1.00 4.55 C ATOM 24 C THR A 265 -14.794 -0.498 9.317 1.00 3.66 C ATOM 25 O THR A 265 -14.485 -1.509 8.718 1.00 4.05 O ATOM 26 CB THR A 265 -14.625 -1.697 11.525 1.00 5.24 C ATOM 27 OG1 THR A 265 -13.456 -2.464 11.274 1.00 5.31 O ATOM 28 CG2 THR A 265 -15.853 -2.450 11.010 1.00 5.42 C ATOM 0 H THR A 265 -16.348 0.017 11.835 1.00 5.13 H new ATOM 0 HA THR A 265 -13.508 0.078 10.899 1.00 4.55 H new ATOM 0 HB THR A 265 -14.730 -1.533 12.597 1.00 5.24 H new ATOM 0 HG1 THR A 265 -13.290 -2.501 10.309 1.00 5.31 H new ATOM 0 HG21 THR A 265 -15.931 -3.411 11.519 1.00 5.42 H new ATOM 0 HG22 THR A 265 -16.749 -1.862 11.206 1.00 5.42 H new ATOM 0 HG23 THR A 265 -15.755 -2.615 9.937 1.00 5.42 H new ATOM 36 N GLY A 266 -15.380 0.496 8.708 1.00 2.96 N ATOM 37 CA GLY A 266 -15.683 0.399 7.251 1.00 2.63 C ATOM 38 C GLY A 266 -14.515 0.968 6.445 1.00 1.79 C ATOM 39 O GLY A 266 -14.696 1.784 5.564 1.00 2.11 O ATOM 0 H GLY A 266 -15.662 1.369 9.154 1.00 2.96 H new ATOM 0 HA2 GLY A 266 -15.857 -0.641 6.974 1.00 2.63 H new ATOM 0 HA3 GLY A 266 -16.597 0.947 7.022 1.00 2.63 H new ATOM 43 N ASP A 267 -13.315 0.545 6.738 1.00 1.52 N ATOM 44 CA ASP A 267 -12.139 1.063 5.987 1.00 1.73 C ATOM 45 C ASP A 267 -11.889 0.211 4.740 1.00 1.65 C ATOM 46 O ASP A 267 -10.798 -0.274 4.515 1.00 1.65 O ATOM 47 CB ASP A 267 -10.967 0.953 6.961 1.00 2.57 C ATOM 48 CG ASP A 267 -10.639 2.337 7.524 1.00 3.33 C ATOM 49 OD1 ASP A 267 -11.279 3.290 7.110 1.00 3.82 O ATOM 50 OD2 ASP A 267 -9.753 2.421 8.358 1.00 3.89 O ATOM 0 H ASP A 267 -13.100 -0.137 7.465 1.00 1.52 H new ATOM 0 HA ASP A 267 -12.286 2.087 5.644 1.00 1.73 H new ATOM 0 HB2 ASP A 267 -11.217 0.269 7.772 1.00 2.57 H new ATOM 0 HB3 ASP A 267 -10.096 0.540 6.453 1.00 2.57 H new ATOM 55 N VAL A 268 -12.894 0.030 3.926 1.00 1.73 N ATOM 56 CA VAL A 268 -12.719 -0.784 2.689 1.00 1.78 C ATOM 57 C VAL A 268 -11.460 -0.331 1.944 1.00 1.59 C ATOM 58 O VAL A 268 -10.800 0.603 2.354 1.00 1.46 O ATOM 59 CB VAL A 268 -13.977 -0.502 1.863 1.00 2.01 C ATOM 60 CG1 VAL A 268 -13.944 -1.320 0.571 1.00 2.65 C ATOM 61 CG2 VAL A 268 -15.215 -0.888 2.676 1.00 2.40 C ATOM 0 H VAL A 268 -13.830 0.411 4.065 1.00 1.73 H new ATOM 0 HA VAL A 268 -12.598 -1.848 2.893 1.00 1.78 H new ATOM 0 HB VAL A 268 -14.015 0.559 1.616 1.00 2.01 H new ATOM 0 HG11 VAL A 268 -14.842 -1.115 -0.012 1.00 2.65 H new ATOM 0 HG12 VAL A 268 -13.063 -1.047 -0.010 1.00 2.65 H new ATOM 0 HG13 VAL A 268 -13.904 -2.382 0.814 1.00 2.65 H new ATOM 0 HG21 VAL A 268 -16.112 -0.688 2.090 1.00 2.40 H new ATOM 0 HG22 VAL A 268 -15.172 -1.949 2.923 1.00 2.40 H new ATOM 0 HG23 VAL A 268 -15.244 -0.302 3.595 1.00 2.40 H new ATOM 71 N SER A 269 -11.123 -0.989 0.860 1.00 1.63 N ATOM 72 CA SER A 269 -9.903 -0.607 0.081 1.00 1.54 C ATOM 73 C SER A 269 -9.682 0.907 0.139 1.00 1.44 C ATOM 74 O SER A 269 -8.566 1.378 0.227 1.00 1.39 O ATOM 75 CB SER A 269 -10.195 -1.053 -1.351 1.00 1.69 C ATOM 76 OG SER A 269 -11.448 -0.521 -1.763 1.00 1.91 O ATOM 0 H SER A 269 -11.644 -1.779 0.480 1.00 1.63 H new ATOM 0 HA SER A 269 -9.000 -1.070 0.478 1.00 1.54 H new ATOM 0 HB2 SER A 269 -9.404 -0.711 -2.019 1.00 1.69 H new ATOM 0 HB3 SER A 269 -10.212 -2.141 -1.409 1.00 1.69 H new ATOM 0 HG SER A 269 -11.637 -0.804 -2.682 1.00 1.91 H new ATOM 82 N ALA A 270 -10.739 1.670 0.106 1.00 1.51 N ATOM 83 CA ALA A 270 -10.590 3.147 0.176 1.00 1.54 C ATOM 84 C ALA A 270 -9.606 3.509 1.290 1.00 1.43 C ATOM 85 O ALA A 270 -8.555 4.069 1.048 1.00 1.46 O ATOM 86 CB ALA A 270 -11.989 3.670 0.504 1.00 1.69 C ATOM 0 H ALA A 270 -11.699 1.333 0.034 1.00 1.51 H new ATOM 0 HA ALA A 270 -10.206 3.576 -0.749 1.00 1.54 H new ATOM 0 HB1 ALA A 270 -11.964 4.758 0.573 1.00 1.69 H new ATOM 0 HB2 ALA A 270 -12.682 3.372 -0.283 1.00 1.69 H new ATOM 0 HB3 ALA A 270 -12.319 3.253 1.456 1.00 1.69 H new ATOM 92 N ALA A 271 -9.938 3.183 2.509 1.00 1.39 N ATOM 93 CA ALA A 271 -9.029 3.495 3.639 1.00 1.37 C ATOM 94 C ALA A 271 -7.799 2.587 3.586 1.00 1.29 C ATOM 95 O ALA A 271 -6.674 3.047 3.561 1.00 1.31 O ATOM 96 CB ALA A 271 -9.850 3.216 4.899 1.00 1.46 C ATOM 0 H ALA A 271 -10.805 2.712 2.768 1.00 1.39 H new ATOM 0 HA ALA A 271 -8.669 4.523 3.610 1.00 1.37 H new ATOM 0 HB1 ALA A 271 -9.245 3.424 5.781 1.00 1.46 H new ATOM 0 HB2 ALA A 271 -10.733 3.854 4.906 1.00 1.46 H new ATOM 0 HB3 ALA A 271 -10.158 2.170 4.909 1.00 1.46 H new ATOM 102 N ASN A 272 -8.006 1.298 3.566 1.00 1.27 N ATOM 103 CA ASN A 272 -6.851 0.357 3.511 1.00 1.26 C ATOM 104 C ASN A 272 -5.840 0.827 2.463 1.00 1.19 C ATOM 105 O ASN A 272 -4.695 1.094 2.770 1.00 1.22 O ATOM 106 CB ASN A 272 -7.454 -0.990 3.111 1.00 1.30 C ATOM 107 CG ASN A 272 -7.265 -1.992 4.253 1.00 1.70 C ATOM 108 OD1 ASN A 272 -6.418 -1.807 5.104 1.00 2.27 O ATOM 109 ND2 ASN A 272 -8.024 -3.052 4.307 1.00 2.06 N ATOM 0 H ASN A 272 -8.925 0.856 3.585 1.00 1.27 H new ATOM 0 HA ASN A 272 -6.320 0.297 4.461 1.00 1.26 H new ATOM 0 HB2 ASN A 272 -8.514 -0.874 2.886 1.00 1.30 H new ATOM 0 HB3 ASN A 272 -6.975 -1.360 2.205 1.00 1.30 H new ATOM 0 HD21 ASN A 272 -7.906 -3.726 5.064 1.00 2.06 H new ATOM 0 HD22 ASN A 272 -8.735 -3.207 3.592 1.00 2.06 H new ATOM 116 N LYS A 273 -6.255 0.935 1.229 1.00 1.18 N ATOM 117 CA LYS A 273 -5.316 1.394 0.168 1.00 1.20 C ATOM 118 C LYS A 273 -4.485 2.569 0.688 1.00 1.22 C ATOM 119 O LYS A 273 -3.272 2.513 0.730 1.00 1.23 O ATOM 120 CB LYS A 273 -6.208 1.837 -0.993 1.00 1.28 C ATOM 121 CG LYS A 273 -5.336 2.184 -2.202 1.00 1.57 C ATOM 122 CD LYS A 273 -6.124 1.938 -3.491 1.00 1.88 C ATOM 123 CE LYS A 273 -5.761 3.007 -4.524 1.00 2.43 C ATOM 124 NZ LYS A 273 -6.920 3.046 -5.459 1.00 2.94 N ATOM 0 H LYS A 273 -7.201 0.725 0.912 1.00 1.18 H new ATOM 0 HA LYS A 273 -4.618 0.614 -0.137 1.00 1.20 H new ATOM 0 HB2 LYS A 273 -6.908 1.042 -1.252 1.00 1.28 H new ATOM 0 HB3 LYS A 273 -6.802 2.702 -0.699 1.00 1.28 H new ATOM 0 HG2 LYS A 273 -5.022 3.226 -2.149 1.00 1.57 H new ATOM 0 HG3 LYS A 273 -4.430 1.577 -2.196 1.00 1.57 H new ATOM 0 HD2 LYS A 273 -5.899 0.946 -3.884 1.00 1.88 H new ATOM 0 HD3 LYS A 273 -7.194 1.964 -3.286 1.00 1.88 H new ATOM 0 HE2 LYS A 273 -5.602 3.976 -4.051 1.00 2.43 H new ATOM 0 HE3 LYS A 273 -4.839 2.753 -5.048 1.00 2.43 H new ATOM 0 HZ1 LYS A 273 -6.746 3.757 -6.198 1.00 2.94 H new ATOM 0 HZ2 LYS A 273 -7.042 2.112 -5.899 1.00 2.94 H new ATOM 0 HZ3 LYS A 273 -7.782 3.296 -4.933 1.00 2.94 H new ATOM 138 N ASP A 274 -5.130 3.628 1.093 1.00 1.30 N ATOM 139 CA ASP A 274 -4.381 4.801 1.619 1.00 1.38 C ATOM 140 C ASP A 274 -3.283 4.329 2.576 1.00 1.36 C ATOM 141 O ASP A 274 -2.107 4.476 2.308 1.00 1.38 O ATOM 142 CB ASP A 274 -5.423 5.633 2.366 1.00 1.48 C ATOM 143 CG ASP A 274 -5.007 7.105 2.352 1.00 1.76 C ATOM 144 OD1 ASP A 274 -5.340 7.786 1.396 1.00 2.06 O ATOM 145 OD2 ASP A 274 -4.364 7.527 3.299 1.00 2.29 O ATOM 0 H ASP A 274 -6.145 3.731 1.082 1.00 1.30 H new ATOM 0 HA ASP A 274 -3.895 5.374 0.830 1.00 1.38 H new ATOM 0 HB2 ASP A 274 -6.401 5.516 1.898 1.00 1.48 H new ATOM 0 HB3 ASP A 274 -5.517 5.280 3.393 1.00 1.48 H new ATOM 150 N ALA A 275 -3.660 3.759 3.689 1.00 1.39 N ATOM 151 CA ALA A 275 -2.641 3.274 4.659 1.00 1.45 C ATOM 152 C ALA A 275 -1.512 2.559 3.913 1.00 1.36 C ATOM 153 O ALA A 275 -0.390 3.023 3.875 1.00 1.38 O ATOM 154 CB ALA A 275 -3.391 2.297 5.566 1.00 1.51 C ATOM 0 H ALA A 275 -4.630 3.609 3.967 1.00 1.39 H new ATOM 0 HA ALA A 275 -2.186 4.085 5.227 1.00 1.45 H new ATOM 0 HB1 ALA A 275 -2.706 1.894 6.312 1.00 1.51 H new ATOM 0 HB2 ALA A 275 -4.207 2.818 6.067 1.00 1.51 H new ATOM 0 HB3 ALA A 275 -3.796 1.481 4.967 1.00 1.51 H new ATOM 160 N ILE A 276 -1.802 1.434 3.316 1.00 1.32 N ATOM 161 CA ILE A 276 -0.748 0.695 2.569 1.00 1.30 C ATOM 162 C ILE A 276 0.088 1.674 1.741 1.00 1.20 C ATOM 163 O ILE A 276 1.301 1.613 1.728 1.00 1.17 O ATOM 164 CB ILE A 276 -1.508 -0.268 1.657 1.00 1.35 C ATOM 165 CG1 ILE A 276 -2.163 -1.362 2.503 1.00 1.49 C ATOM 166 CG2 ILE A 276 -0.533 -0.907 0.665 1.00 1.40 C ATOM 167 CD1 ILE A 276 -3.223 -2.086 1.670 1.00 1.53 C ATOM 0 H ILE A 276 -2.723 0.996 3.314 1.00 1.32 H new ATOM 0 HA ILE A 276 -0.061 0.168 3.231 1.00 1.30 H new ATOM 0 HB ILE A 276 -2.277 0.279 1.111 1.00 1.35 H new ATOM 0 HG12 ILE A 276 -1.409 -2.070 2.847 1.00 1.49 H new ATOM 0 HG13 ILE A 276 -2.619 -0.925 3.391 1.00 1.49 H new ATOM 0 HG21 ILE A 276 -1.074 -1.594 0.014 1.00 1.40 H new ATOM 0 HG22 ILE A 276 -0.065 -0.129 0.062 1.00 1.40 H new ATOM 0 HG23 ILE A 276 0.235 -1.454 1.211 1.00 1.40 H new ATOM 0 HD11 ILE A 276 -3.690 -2.865 2.273 1.00 1.53 H new ATOM 0 HD12 ILE A 276 -3.982 -1.373 1.348 1.00 1.53 H new ATOM 0 HD13 ILE A 276 -2.753 -2.536 0.795 1.00 1.53 H new ATOM 179 N ARG A 277 -0.553 2.580 1.053 1.00 1.21 N ATOM 180 CA ARG A 277 0.207 3.565 0.232 1.00 1.19 C ATOM 181 C ARG A 277 1.316 4.197 1.076 1.00 1.19 C ATOM 182 O ARG A 277 2.487 4.058 0.784 1.00 1.11 O ATOM 183 CB ARG A 277 -0.822 4.618 -0.180 1.00 1.32 C ATOM 184 CG ARG A 277 -0.924 4.664 -1.706 1.00 1.50 C ATOM 185 CD ARG A 277 -2.362 4.358 -2.131 1.00 1.54 C ATOM 186 NE ARG A 277 -2.291 4.151 -3.604 1.00 1.81 N ATOM 187 CZ ARG A 277 -2.153 5.174 -4.404 1.00 2.24 C ATOM 188 NH1 ARG A 277 -2.080 6.384 -3.917 1.00 2.61 N ATOM 189 NH2 ARG A 277 -2.088 4.987 -5.693 1.00 2.91 N ATOM 0 H ARG A 277 -1.568 2.680 1.024 1.00 1.21 H new ATOM 0 HA ARG A 277 0.684 3.106 -0.634 1.00 1.19 H new ATOM 0 HB2 ARG A 277 -1.794 4.381 0.253 1.00 1.32 H new ATOM 0 HB3 ARG A 277 -0.532 5.595 0.205 1.00 1.32 H new ATOM 0 HG2 ARG A 277 -0.627 5.647 -2.071 1.00 1.50 H new ATOM 0 HG3 ARG A 277 -0.241 3.939 -2.149 1.00 1.50 H new ATOM 0 HD2 ARG A 277 -2.743 3.471 -1.625 1.00 1.54 H new ATOM 0 HD3 ARG A 277 -3.032 5.180 -1.880 1.00 1.54 H new ATOM 0 HE ARG A 277 -2.350 3.208 -3.989 1.00 1.81 H new ATOM 0 HH11 ARG A 277 -2.131 6.532 -2.909 1.00 2.61 H new ATOM 0 HH12 ARG A 277 -1.972 7.181 -4.545 1.00 2.61 H new ATOM 0 HH21 ARG A 277 -2.145 4.043 -6.075 1.00 2.91 H new ATOM 0 HH22 ARG A 277 -1.980 5.785 -6.319 1.00 2.91 H new ATOM 203 N LYS A 278 0.957 4.886 2.125 1.00 1.32 N ATOM 204 CA LYS A 278 1.991 5.517 2.989 1.00 1.39 C ATOM 205 C LYS A 278 3.139 4.534 3.227 1.00 1.25 C ATOM 206 O LYS A 278 4.246 4.734 2.768 1.00 1.18 O ATOM 207 CB LYS A 278 1.273 5.835 4.302 1.00 1.60 C ATOM 208 CG LYS A 278 1.626 7.255 4.748 1.00 1.99 C ATOM 209 CD LYS A 278 0.821 7.613 5.999 1.00 2.39 C ATOM 210 CE LYS A 278 -0.111 8.785 5.688 1.00 2.87 C ATOM 211 NZ LYS A 278 0.457 9.937 6.441 1.00 3.63 N ATOM 0 H LYS A 278 -0.008 5.038 2.420 1.00 1.32 H new ATOM 0 HA LYS A 278 2.422 6.411 2.538 1.00 1.39 H new ATOM 0 HB2 LYS A 278 0.195 5.741 4.171 1.00 1.60 H new ATOM 0 HB3 LYS A 278 1.564 5.119 5.070 1.00 1.60 H new ATOM 0 HG2 LYS A 278 2.693 7.327 4.957 1.00 1.99 H new ATOM 0 HG3 LYS A 278 1.409 7.963 3.948 1.00 1.99 H new ATOM 0 HD2 LYS A 278 0.241 6.751 6.330 1.00 2.39 H new ATOM 0 HD3 LYS A 278 1.494 7.877 6.815 1.00 2.39 H new ATOM 0 HE2 LYS A 278 -0.144 8.990 4.618 1.00 2.87 H new ATOM 0 HE3 LYS A 278 -1.132 8.572 6.003 1.00 2.87 H new ATOM 0 HZ1 LYS A 278 -0.129 10.781 6.278 1.00 3.63 H new ATOM 0 HZ2 LYS A 278 0.470 9.715 7.457 1.00 3.63 H new ATOM 0 HZ3 LYS A 278 1.427 10.121 6.115 1.00 3.63 H new ATOM 225 N GLN A 279 2.880 3.470 3.938 1.00 1.27 N ATOM 226 CA GLN A 279 3.951 2.470 4.201 1.00 1.21 C ATOM 227 C GLN A 279 4.755 2.218 2.924 1.00 0.98 C ATOM 228 O GLN A 279 5.968 2.283 2.918 1.00 0.93 O ATOM 229 CB GLN A 279 3.212 1.202 4.629 1.00 1.33 C ATOM 230 CG GLN A 279 3.738 0.736 5.988 1.00 1.60 C ATOM 231 CD GLN A 279 2.692 -0.155 6.660 1.00 2.05 C ATOM 232 OE1 GLN A 279 1.694 -0.500 6.058 1.00 2.61 O ATOM 233 NE2 GLN A 279 2.879 -0.547 7.890 1.00 2.65 N ATOM 0 H GLN A 279 1.972 3.251 4.348 1.00 1.27 H new ATOM 0 HA GLN A 279 4.656 2.805 4.962 1.00 1.21 H new ATOM 0 HB2 GLN A 279 2.141 1.396 4.689 1.00 1.33 H new ATOM 0 HB3 GLN A 279 3.353 0.418 3.885 1.00 1.33 H new ATOM 0 HG2 GLN A 279 4.671 0.187 5.860 1.00 1.60 H new ATOM 0 HG3 GLN A 279 3.958 1.597 6.620 1.00 1.60 H new ATOM 0 HE21 GLN A 279 3.716 -0.258 8.396 1.00 2.65 H new ATOM 0 HE22 GLN A 279 2.188 -1.143 8.346 1.00 2.65 H new ATOM 242 N MET A 280 4.085 1.934 1.840 1.00 0.90 N ATOM 243 CA MET A 280 4.807 1.681 0.561 1.00 0.74 C ATOM 244 C MET A 280 5.671 2.891 0.198 1.00 0.66 C ATOM 245 O MET A 280 6.877 2.795 0.098 1.00 0.59 O ATOM 246 CB MET A 280 3.707 1.473 -0.481 1.00 0.84 C ATOM 247 CG MET A 280 3.424 -0.022 -0.634 1.00 1.10 C ATOM 248 SD MET A 280 3.472 -0.469 -2.388 1.00 1.63 S ATOM 249 CE MET A 280 2.170 0.658 -2.944 1.00 1.29 C ATOM 0 H MET A 280 3.069 1.866 1.785 1.00 0.90 H new ATOM 0 HA MET A 280 5.474 0.821 0.624 1.00 0.74 H new ATOM 0 HB2 MET A 280 2.800 1.996 -0.177 1.00 0.84 H new ATOM 0 HB3 MET A 280 4.013 1.896 -1.438 1.00 0.84 H new ATOM 0 HG2 MET A 280 4.162 -0.601 -0.080 1.00 1.10 H new ATOM 0 HG3 MET A 280 2.448 -0.263 -0.213 1.00 1.10 H new ATOM 0 HE1 MET A 280 1.769 0.309 -3.895 1.00 1.29 H new ATOM 0 HE2 MET A 280 1.372 0.686 -2.202 1.00 1.29 H new ATOM 0 HE3 MET A 280 2.584 1.658 -3.070 1.00 1.29 H new ATOM 259 N ASP A 281 5.063 4.030 0.003 1.00 0.83 N ATOM 260 CA ASP A 281 5.854 5.243 -0.349 1.00 0.87 C ATOM 261 C ASP A 281 7.106 5.323 0.527 1.00 0.81 C ATOM 262 O ASP A 281 8.212 5.442 0.040 1.00 0.80 O ATOM 263 CB ASP A 281 4.922 6.422 -0.062 1.00 1.06 C ATOM 264 CG ASP A 281 5.185 7.538 -1.074 1.00 1.24 C ATOM 265 OD1 ASP A 281 6.341 7.759 -1.396 1.00 1.69 O ATOM 266 OD2 ASP A 281 4.226 8.154 -1.510 1.00 1.73 O ATOM 0 H ASP A 281 4.055 4.172 0.072 1.00 0.83 H new ATOM 0 HA ASP A 281 6.189 5.234 -1.386 1.00 0.87 H new ATOM 0 HB2 ASP A 281 3.882 6.100 -0.121 1.00 1.06 H new ATOM 0 HB3 ASP A 281 5.085 6.790 0.951 1.00 1.06 H new ATOM 271 N ALA A 282 6.938 5.258 1.819 1.00 0.87 N ATOM 272 CA ALA A 282 8.112 5.328 2.728 1.00 0.93 C ATOM 273 C ALA A 282 9.151 4.273 2.334 1.00 0.80 C ATOM 274 O ALA A 282 10.212 4.589 1.834 1.00 0.98 O ATOM 275 CB ALA A 282 7.552 5.037 4.120 1.00 1.13 C ATOM 0 H ALA A 282 6.035 5.159 2.284 1.00 0.87 H new ATOM 0 HA ALA A 282 8.612 6.296 2.684 1.00 0.93 H new ATOM 0 HB1 ALA A 282 8.360 5.070 4.851 1.00 1.13 H new ATOM 0 HB2 ALA A 282 6.801 5.785 4.374 1.00 1.13 H new ATOM 0 HB3 ALA A 282 7.095 4.047 4.129 1.00 1.13 H new ATOM 281 N ALA A 283 8.853 3.022 2.559 1.00 0.72 N ATOM 282 CA ALA A 283 9.822 1.946 2.202 1.00 0.71 C ATOM 283 C ALA A 283 10.140 1.986 0.704 1.00 0.61 C ATOM 284 O ALA A 283 11.081 1.371 0.244 1.00 0.78 O ATOM 285 CB ALA A 283 9.112 0.641 2.562 1.00 0.82 C ATOM 0 H ALA A 283 7.980 2.698 2.975 1.00 0.72 H new ATOM 0 HA ALA A 283 10.770 2.057 2.728 1.00 0.71 H new ATOM 0 HB1 ALA A 283 9.761 -0.203 2.329 1.00 0.82 H new ATOM 0 HB2 ALA A 283 8.879 0.636 3.627 1.00 0.82 H new ATOM 0 HB3 ALA A 283 8.189 0.558 1.988 1.00 0.82 H new ATOM 291 N ALA A 284 9.362 2.702 -0.060 1.00 0.52 N ATOM 292 CA ALA A 284 9.622 2.774 -1.527 1.00 0.60 C ATOM 293 C ALA A 284 10.826 3.676 -1.813 1.00 0.81 C ATOM 294 O ALA A 284 11.916 3.209 -2.067 1.00 0.97 O ATOM 295 CB ALA A 284 8.350 3.372 -2.130 1.00 0.65 C ATOM 0 H ALA A 284 8.559 3.240 0.266 1.00 0.52 H new ATOM 0 HA ALA A 284 9.853 1.796 -1.949 1.00 0.60 H new ATOM 0 HB1 ALA A 284 8.465 3.457 -3.211 1.00 0.65 H new ATOM 0 HB2 ALA A 284 7.502 2.726 -1.905 1.00 0.65 H new ATOM 0 HB3 ALA A 284 8.176 4.361 -1.705 1.00 0.65 H new ATOM 301 N SER A 285 10.635 4.965 -1.781 1.00 0.88 N ATOM 302 CA SER A 285 11.767 5.891 -2.059 1.00 1.12 C ATOM 303 C SER A 285 12.583 6.139 -0.788 1.00 1.11 C ATOM 304 O SER A 285 12.942 7.259 -0.481 1.00 1.23 O ATOM 305 CB SER A 285 11.110 7.186 -2.534 1.00 1.26 C ATOM 306 OG SER A 285 10.121 6.881 -3.508 1.00 1.90 O ATOM 0 H SER A 285 9.744 5.417 -1.574 1.00 0.88 H new ATOM 0 HA SER A 285 12.456 5.485 -2.799 1.00 1.12 H new ATOM 0 HB2 SER A 285 10.658 7.708 -1.691 1.00 1.26 H new ATOM 0 HB3 SER A 285 11.860 7.854 -2.957 1.00 1.26 H new ATOM 0 HG SER A 285 9.696 7.710 -3.814 1.00 1.90 H new ATOM 312 N LYS A 286 12.881 5.108 -0.045 1.00 1.05 N ATOM 313 CA LYS A 286 13.673 5.299 1.200 1.00 1.16 C ATOM 314 C LYS A 286 14.832 4.301 1.262 1.00 1.34 C ATOM 315 O LYS A 286 15.636 4.327 2.172 1.00 1.64 O ATOM 316 CB LYS A 286 12.689 5.053 2.343 1.00 1.07 C ATOM 317 CG LYS A 286 13.440 5.076 3.676 1.00 1.38 C ATOM 318 CD LYS A 286 12.728 6.018 4.648 1.00 2.06 C ATOM 319 CE LYS A 286 13.767 6.792 5.463 1.00 2.64 C ATOM 320 NZ LYS A 286 13.236 6.802 6.854 1.00 3.16 N ATOM 0 H LYS A 286 12.611 4.145 -0.247 1.00 1.05 H new ATOM 0 HA LYS A 286 14.116 6.294 1.251 1.00 1.16 H new ATOM 0 HB2 LYS A 286 11.911 5.817 2.338 1.00 1.07 H new ATOM 0 HB3 LYS A 286 12.193 4.092 2.209 1.00 1.07 H new ATOM 0 HG2 LYS A 286 13.487 4.071 4.096 1.00 1.38 H new ATOM 0 HG3 LYS A 286 14.467 5.405 3.521 1.00 1.38 H new ATOM 0 HD2 LYS A 286 12.091 6.711 4.098 1.00 2.06 H new ATOM 0 HD3 LYS A 286 12.079 5.448 5.313 1.00 2.06 H new ATOM 0 HE2 LYS A 286 14.744 6.310 5.417 1.00 2.64 H new ATOM 0 HE3 LYS A 286 13.893 7.805 5.081 1.00 2.64 H new ATOM 0 HZ1 LYS A 286 13.895 7.316 7.473 1.00 3.16 H new ATOM 0 HZ2 LYS A 286 12.309 7.273 6.868 1.00 3.16 H new ATOM 0 HZ3 LYS A 286 13.133 5.824 7.193 1.00 3.16 H new ATOM 334 N GLY A 287 14.927 3.423 0.304 1.00 1.25 N ATOM 335 CA GLY A 287 16.038 2.428 0.318 1.00 1.46 C ATOM 336 C GLY A 287 15.466 1.027 0.529 1.00 1.41 C ATOM 337 O GLY A 287 15.818 0.092 -0.162 1.00 1.53 O ATOM 0 H GLY A 287 14.286 3.350 -0.486 1.00 1.25 H new ATOM 0 HA2 GLY A 287 16.589 2.469 -0.621 1.00 1.46 H new ATOM 0 HA3 GLY A 287 16.744 2.667 1.113 1.00 1.46 H new ATOM 341 N ASP A 288 14.579 0.874 1.473 1.00 1.29 N ATOM 342 CA ASP A 288 13.981 -0.467 1.718 1.00 1.31 C ATOM 343 C ASP A 288 12.892 -0.734 0.679 1.00 1.12 C ATOM 344 O ASP A 288 11.748 -0.977 1.007 1.00 1.02 O ATOM 345 CB ASP A 288 13.380 -0.387 3.122 1.00 1.36 C ATOM 346 CG ASP A 288 13.531 -1.741 3.820 1.00 1.70 C ATOM 347 OD1 ASP A 288 14.569 -2.359 3.652 1.00 2.14 O ATOM 348 OD2 ASP A 288 12.605 -2.135 4.510 1.00 2.19 O ATOM 0 H ASP A 288 14.243 1.619 2.084 1.00 1.29 H new ATOM 0 HA ASP A 288 14.710 -1.274 1.642 1.00 1.31 H new ATOM 0 HB2 ASP A 288 13.881 0.390 3.700 1.00 1.36 H new ATOM 0 HB3 ASP A 288 12.327 -0.112 3.063 1.00 1.36 H new ATOM 353 N VAL A 289 13.245 -0.681 -0.575 1.00 1.15 N ATOM 354 CA VAL A 289 12.239 -0.921 -1.647 1.00 1.06 C ATOM 355 C VAL A 289 11.745 -2.369 -1.597 1.00 1.11 C ATOM 356 O VAL A 289 10.708 -2.699 -2.137 1.00 1.05 O ATOM 357 CB VAL A 289 12.981 -0.647 -2.957 1.00 1.26 C ATOM 358 CG1 VAL A 289 11.999 -0.743 -4.125 1.00 1.26 C ATOM 359 CG2 VAL A 289 13.585 0.761 -2.922 1.00 1.32 C ATOM 0 H VAL A 289 14.189 -0.481 -0.905 1.00 1.15 H new ATOM 0 HA VAL A 289 11.360 -0.285 -1.538 1.00 1.06 H new ATOM 0 HB VAL A 289 13.777 -1.382 -3.082 1.00 1.26 H new ATOM 0 HG11 VAL A 289 12.525 -0.548 -5.060 1.00 1.26 H new ATOM 0 HG12 VAL A 289 11.565 -1.742 -4.154 1.00 1.26 H new ATOM 0 HG13 VAL A 289 11.206 -0.007 -3.995 1.00 1.26 H new ATOM 0 HG21 VAL A 289 14.113 0.954 -3.856 1.00 1.32 H new ATOM 0 HG22 VAL A 289 12.789 1.495 -2.797 1.00 1.32 H new ATOM 0 HG23 VAL A 289 14.283 0.837 -2.088 1.00 1.32 H new ATOM 369 N GLU A 290 12.475 -3.236 -0.949 1.00 1.26 N ATOM 370 CA GLU A 290 12.037 -4.653 -0.865 1.00 1.37 C ATOM 371 C GLU A 290 10.555 -4.713 -0.495 1.00 1.23 C ATOM 372 O GLU A 290 9.716 -5.068 -1.299 1.00 1.19 O ATOM 373 CB GLU A 290 12.896 -5.266 0.240 1.00 1.57 C ATOM 374 CG GLU A 290 12.827 -6.792 0.156 1.00 1.77 C ATOM 375 CD GLU A 290 14.128 -7.392 0.693 1.00 2.11 C ATOM 376 OE1 GLU A 290 15.099 -6.660 0.791 1.00 2.65 O ATOM 377 OE2 GLU A 290 14.131 -8.574 0.995 1.00 2.63 O ATOM 0 H GLU A 290 13.353 -3.022 -0.476 1.00 1.26 H new ATOM 0 HA GLU A 290 12.154 -5.186 -1.809 1.00 1.37 H new ATOM 0 HB2 GLU A 290 13.929 -4.932 0.139 1.00 1.57 H new ATOM 0 HB3 GLU A 290 12.546 -4.929 1.216 1.00 1.57 H new ATOM 0 HG2 GLU A 290 11.979 -7.161 0.733 1.00 1.77 H new ATOM 0 HG3 GLU A 290 12.670 -7.103 -0.877 1.00 1.77 H new ATOM 384 N THR A 291 10.226 -4.359 0.717 1.00 1.20 N ATOM 385 CA THR A 291 8.801 -4.385 1.139 1.00 1.14 C ATOM 386 C THR A 291 7.944 -3.627 0.123 1.00 0.93 C ATOM 387 O THR A 291 6.906 -4.093 -0.302 1.00 0.92 O ATOM 388 CB THR A 291 8.775 -3.678 2.496 1.00 1.19 C ATOM 389 OG1 THR A 291 9.347 -4.527 3.481 1.00 1.43 O ATOM 390 CG2 THR A 291 7.330 -3.352 2.875 1.00 1.18 C ATOM 0 H THR A 291 10.885 -4.053 1.433 1.00 1.20 H new ATOM 0 HA THR A 291 8.404 -5.398 1.203 1.00 1.14 H new ATOM 0 HB THR A 291 9.349 -2.753 2.436 1.00 1.19 H new ATOM 0 HG1 THR A 291 9.333 -4.075 4.351 1.00 1.43 H new ATOM 0 HG21 THR A 291 7.312 -2.848 3.842 1.00 1.18 H new ATOM 0 HG22 THR A 291 6.894 -2.700 2.118 1.00 1.18 H new ATOM 0 HG23 THR A 291 6.753 -4.275 2.936 1.00 1.18 H new ATOM 398 N TYR A 292 8.378 -2.461 -0.273 1.00 0.80 N ATOM 399 CA TYR A 292 7.598 -1.668 -1.265 1.00 0.66 C ATOM 400 C TYR A 292 7.193 -2.557 -2.443 1.00 0.75 C ATOM 401 O TYR A 292 6.024 -2.788 -2.684 1.00 0.71 O ATOM 402 CB TYR A 292 8.556 -0.568 -1.723 1.00 0.65 C ATOM 403 CG TYR A 292 7.899 0.267 -2.795 1.00 0.66 C ATOM 404 CD1 TYR A 292 6.532 0.562 -2.717 1.00 1.44 C ATOM 405 CD2 TYR A 292 8.659 0.751 -3.867 1.00 1.26 C ATOM 406 CE1 TYR A 292 5.926 1.339 -3.711 1.00 1.54 C ATOM 407 CE2 TYR A 292 8.053 1.528 -4.861 1.00 1.34 C ATOM 408 CZ TYR A 292 6.686 1.823 -4.783 1.00 0.97 C ATOM 409 OH TYR A 292 6.089 2.589 -5.763 1.00 1.20 O ATOM 0 H TYR A 292 9.241 -2.023 0.049 1.00 0.80 H new ATOM 0 HA TYR A 292 6.679 -1.259 -0.846 1.00 0.66 H new ATOM 0 HB2 TYR A 292 8.833 0.061 -0.877 1.00 0.65 H new ATOM 0 HB3 TYR A 292 9.476 -1.010 -2.106 1.00 0.65 H new ATOM 0 HD1 TYR A 292 5.946 0.190 -1.890 1.00 1.44 H new ATOM 0 HD2 TYR A 292 9.713 0.525 -3.927 1.00 1.26 H new ATOM 0 HE1 TYR A 292 4.872 1.565 -3.651 1.00 1.54 H new ATOM 0 HE2 TYR A 292 8.639 1.900 -5.688 1.00 1.34 H new ATOM 0 HH TYR A 292 6.758 2.844 -6.432 1.00 1.20 H new ATOM 419 N ARG A 293 8.149 -3.058 -3.178 1.00 0.91 N ATOM 420 CA ARG A 293 7.818 -3.932 -4.336 1.00 1.05 C ATOM 421 C ARG A 293 6.707 -4.913 -3.954 1.00 1.01 C ATOM 422 O ARG A 293 5.610 -4.855 -4.473 1.00 0.97 O ATOM 423 CB ARG A 293 9.113 -4.683 -4.649 1.00 1.28 C ATOM 424 CG ARG A 293 9.367 -4.656 -6.158 1.00 1.44 C ATOM 425 CD ARG A 293 10.856 -4.881 -6.430 1.00 1.81 C ATOM 426 NE ARG A 293 10.900 -5.674 -7.690 1.00 2.28 N ATOM 427 CZ ARG A 293 12.048 -5.997 -8.221 1.00 2.81 C ATOM 428 NH1 ARG A 293 13.163 -5.629 -7.650 1.00 2.98 N ATOM 429 NH2 ARG A 293 12.081 -6.691 -9.326 1.00 3.61 N ATOM 0 H ARG A 293 9.145 -2.899 -3.025 1.00 0.91 H new ATOM 0 HA ARG A 293 7.460 -3.364 -5.195 1.00 1.05 H new ATOM 0 HB2 ARG A 293 9.949 -4.224 -4.121 1.00 1.28 H new ATOM 0 HB3 ARG A 293 9.042 -5.713 -4.300 1.00 1.28 H new ATOM 0 HG2 ARG A 293 8.776 -5.428 -6.651 1.00 1.44 H new ATOM 0 HG3 ARG A 293 9.051 -3.699 -6.573 1.00 1.44 H new ATOM 0 HD2 ARG A 293 11.385 -3.934 -6.540 1.00 1.81 H new ATOM 0 HD3 ARG A 293 11.331 -5.418 -5.609 1.00 1.81 H new ATOM 0 HE ARG A 293 10.032 -5.965 -8.139 1.00 2.28 H new ATOM 0 HH11 ARG A 293 13.139 -5.087 -6.786 1.00 2.98 H new ATOM 0 HH12 ARG A 293 14.058 -5.883 -8.068 1.00 2.98 H new ATOM 0 HH21 ARG A 293 11.211 -6.980 -9.773 1.00 3.61 H new ATOM 0 HH22 ARG A 293 12.977 -6.944 -9.743 1.00 3.61 H new ATOM 443 N LYS A 294 6.982 -5.812 -3.048 1.00 1.10 N ATOM 444 CA LYS A 294 5.942 -6.793 -2.632 1.00 1.14 C ATOM 445 C LYS A 294 4.595 -6.087 -2.459 1.00 0.99 C ATOM 446 O LYS A 294 3.663 -6.317 -3.204 1.00 0.98 O ATOM 447 CB LYS A 294 6.434 -7.350 -1.295 1.00 1.28 C ATOM 448 CG LYS A 294 6.503 -8.876 -1.374 1.00 1.78 C ATOM 449 CD LYS A 294 7.161 -9.424 -0.106 1.00 2.07 C ATOM 450 CE LYS A 294 6.352 -10.613 0.417 1.00 2.65 C ATOM 451 NZ LYS A 294 7.370 -11.584 0.907 1.00 3.33 N ATOM 0 H LYS A 294 7.882 -5.909 -2.579 1.00 1.10 H new ATOM 0 HA LYS A 294 5.796 -7.582 -3.370 1.00 1.14 H new ATOM 0 HB2 LYS A 294 7.417 -6.942 -1.058 1.00 1.28 H new ATOM 0 HB3 LYS A 294 5.762 -7.047 -0.493 1.00 1.28 H new ATOM 0 HG2 LYS A 294 5.501 -9.291 -1.485 1.00 1.78 H new ATOM 0 HG3 LYS A 294 7.073 -9.180 -2.252 1.00 1.78 H new ATOM 0 HD2 LYS A 294 8.184 -9.733 -0.319 1.00 2.07 H new ATOM 0 HD3 LYS A 294 7.215 -8.645 0.654 1.00 2.07 H new ATOM 0 HE2 LYS A 294 5.677 -10.310 1.218 1.00 2.65 H new ATOM 0 HE3 LYS A 294 5.737 -11.049 -0.370 1.00 2.65 H new ATOM 0 HZ1 LYS A 294 6.892 -12.428 1.282 1.00 3.33 H new ATOM 0 HZ2 LYS A 294 7.994 -11.859 0.122 1.00 3.33 H new ATOM 0 HZ3 LYS A 294 7.936 -11.143 1.660 1.00 3.33 H new ATOM 465 N LEU A 295 4.486 -5.228 -1.481 1.00 0.92 N ATOM 466 CA LEU A 295 3.202 -4.507 -1.265 1.00 0.86 C ATOM 467 C LEU A 295 2.630 -4.042 -2.606 1.00 0.76 C ATOM 468 O LEU A 295 1.515 -4.366 -2.962 1.00 0.80 O ATOM 469 CB LEU A 295 3.560 -3.308 -0.386 1.00 0.85 C ATOM 470 CG LEU A 295 3.035 -3.540 1.031 1.00 1.10 C ATOM 471 CD1 LEU A 295 4.173 -4.043 1.921 1.00 1.84 C ATOM 472 CD2 LEU A 295 2.491 -2.226 1.595 1.00 1.54 C ATOM 0 H LEU A 295 5.231 -4.996 -0.824 1.00 0.92 H new ATOM 0 HA LEU A 295 2.446 -5.138 -0.798 1.00 0.86 H new ATOM 0 HB2 LEU A 295 4.641 -3.168 -0.366 1.00 0.85 H new ATOM 0 HB3 LEU A 295 3.128 -2.397 -0.801 1.00 0.85 H new ATOM 0 HG LEU A 295 2.238 -4.283 1.005 1.00 1.10 H new ATOM 0 HD11 LEU A 295 3.799 -4.208 2.931 1.00 1.84 H new ATOM 0 HD12 LEU A 295 4.562 -4.979 1.520 1.00 1.84 H new ATOM 0 HD13 LEU A 295 4.970 -3.300 1.947 1.00 1.84 H new ATOM 0 HD21 LEU A 295 2.117 -2.391 2.605 1.00 1.54 H new ATOM 0 HD22 LEU A 295 3.288 -1.483 1.620 1.00 1.54 H new ATOM 0 HD23 LEU A 295 1.680 -1.866 0.962 1.00 1.54 H new ATOM 484 N LYS A 296 3.388 -3.285 -3.354 1.00 0.72 N ATOM 485 CA LYS A 296 2.889 -2.805 -4.672 1.00 0.76 C ATOM 486 C LYS A 296 2.183 -3.945 -5.409 1.00 0.83 C ATOM 487 O LYS A 296 1.010 -3.866 -5.715 1.00 0.87 O ATOM 488 CB LYS A 296 4.136 -2.361 -5.437 1.00 0.86 C ATOM 489 CG LYS A 296 3.774 -1.209 -6.375 1.00 1.17 C ATOM 490 CD LYS A 296 4.952 -0.915 -7.306 1.00 1.58 C ATOM 491 CE LYS A 296 4.539 0.139 -8.336 1.00 2.12 C ATOM 492 NZ LYS A 296 5.076 -0.360 -9.632 1.00 2.78 N ATOM 0 H LYS A 296 4.330 -2.980 -3.108 1.00 0.72 H new ATOM 0 HA LYS A 296 2.169 -1.993 -4.571 1.00 0.76 H new ATOM 0 HB2 LYS A 296 4.911 -2.046 -4.739 1.00 0.86 H new ATOM 0 HB3 LYS A 296 4.542 -3.196 -6.008 1.00 0.86 H new ATOM 0 HG2 LYS A 296 2.891 -1.467 -6.960 1.00 1.17 H new ATOM 0 HG3 LYS A 296 3.525 -0.320 -5.796 1.00 1.17 H new ATOM 0 HD2 LYS A 296 5.805 -0.560 -6.729 1.00 1.58 H new ATOM 0 HD3 LYS A 296 5.267 -1.828 -7.811 1.00 1.58 H new ATOM 0 HE2 LYS A 296 3.455 0.251 -8.374 1.00 2.12 H new ATOM 0 HE3 LYS A 296 4.952 1.117 -8.088 1.00 2.12 H new ATOM 0 HZ1 LYS A 296 4.833 0.310 -10.389 1.00 2.78 H new ATOM 0 HZ2 LYS A 296 6.110 -0.450 -9.568 1.00 2.78 H new ATOM 0 HZ3 LYS A 296 4.660 -1.289 -9.845 1.00 2.78 H new ATOM 506 N ALA A 297 2.890 -5.007 -5.691 1.00 0.93 N ATOM 507 CA ALA A 297 2.260 -6.154 -6.401 1.00 1.07 C ATOM 508 C ALA A 297 0.869 -6.421 -5.824 1.00 1.03 C ATOM 509 O ALA A 297 -0.134 -6.242 -6.486 1.00 1.08 O ATOM 510 CB ALA A 297 3.188 -7.341 -6.141 1.00 1.22 C ATOM 0 H ALA A 297 3.876 -5.128 -5.460 1.00 0.93 H new ATOM 0 HA ALA A 297 2.134 -5.966 -7.467 1.00 1.07 H new ATOM 0 HB1 ALA A 297 2.790 -8.228 -6.634 1.00 1.22 H new ATOM 0 HB2 ALA A 297 4.180 -7.121 -6.535 1.00 1.22 H new ATOM 0 HB3 ALA A 297 3.256 -7.521 -5.068 1.00 1.22 H new ATOM 516 N LYS A 298 0.801 -6.840 -4.589 1.00 1.03 N ATOM 517 CA LYS A 298 -0.525 -7.108 -3.969 1.00 1.11 C ATOM 518 C LYS A 298 -1.491 -5.967 -4.296 1.00 1.05 C ATOM 519 O LYS A 298 -2.529 -6.170 -4.893 1.00 1.12 O ATOM 520 CB LYS A 298 -0.254 -7.172 -2.465 1.00 1.22 C ATOM 521 CG LYS A 298 -0.708 -8.528 -1.921 1.00 1.70 C ATOM 522 CD LYS A 298 0.030 -8.829 -0.615 1.00 1.99 C ATOM 523 CE LYS A 298 -0.911 -8.598 0.569 1.00 2.66 C ATOM 524 NZ LYS A 298 -0.400 -9.489 1.647 1.00 3.20 N ATOM 0 H LYS A 298 1.606 -7.008 -3.985 1.00 1.03 H new ATOM 0 HA LYS A 298 -0.980 -8.028 -4.336 1.00 1.11 H new ATOM 0 HB2 LYS A 298 0.809 -7.027 -2.270 1.00 1.22 H new ATOM 0 HB3 LYS A 298 -0.784 -6.368 -1.955 1.00 1.22 H new ATOM 0 HG2 LYS A 298 -1.784 -8.521 -1.749 1.00 1.70 H new ATOM 0 HG3 LYS A 298 -0.507 -9.311 -2.653 1.00 1.70 H new ATOM 0 HD2 LYS A 298 0.385 -9.860 -0.615 1.00 1.99 H new ATOM 0 HD3 LYS A 298 0.908 -8.189 -0.525 1.00 1.99 H new ATOM 0 HE2 LYS A 298 -0.902 -7.554 0.882 1.00 2.66 H new ATOM 0 HE3 LYS A 298 -1.941 -8.844 0.309 1.00 2.66 H new ATOM 0 HZ1 LYS A 298 -0.995 -9.386 2.494 1.00 3.20 H new ATOM 0 HZ2 LYS A 298 -0.427 -10.477 1.323 1.00 3.20 H new ATOM 0 HZ3 LYS A 298 0.579 -9.227 1.879 1.00 3.20 H new ATOM 538 N LEU A 299 -1.153 -4.765 -3.911 1.00 0.98 N ATOM 539 CA LEU A 299 -2.044 -3.609 -4.200 1.00 1.04 C ATOM 540 C LEU A 299 -2.514 -3.655 -5.657 1.00 1.08 C ATOM 541 O LEU A 299 -3.618 -3.262 -5.977 1.00 1.27 O ATOM 542 CB LEU A 299 -1.179 -2.372 -3.956 1.00 1.04 C ATOM 543 CG LEU A 299 -2.058 -1.122 -3.977 1.00 1.34 C ATOM 544 CD1 LEU A 299 -2.230 -0.595 -2.552 1.00 1.80 C ATOM 545 CD2 LEU A 299 -1.394 -0.047 -4.841 1.00 1.78 C ATOM 0 H LEU A 299 -0.296 -4.536 -3.408 1.00 0.98 H new ATOM 0 HA LEU A 299 -2.938 -3.611 -3.577 1.00 1.04 H new ATOM 0 HB2 LEU A 299 -0.670 -2.455 -2.996 1.00 1.04 H new ATOM 0 HB3 LEU A 299 -0.406 -2.299 -4.721 1.00 1.04 H new ATOM 0 HG LEU A 299 -3.034 -1.371 -4.392 1.00 1.34 H new ATOM 0 HD11 LEU A 299 -2.857 0.297 -2.567 1.00 1.80 H new ATOM 0 HD12 LEU A 299 -2.702 -1.360 -1.936 1.00 1.80 H new ATOM 0 HD13 LEU A 299 -1.254 -0.345 -2.136 1.00 1.80 H new ATOM 0 HD21 LEU A 299 -2.020 0.845 -4.857 1.00 1.78 H new ATOM 0 HD22 LEU A 299 -0.418 0.202 -4.425 1.00 1.78 H new ATOM 0 HD23 LEU A 299 -1.271 -0.422 -5.857 1.00 1.78 H new ATOM 557 N LYS A 300 -1.680 -4.132 -6.540 1.00 1.08 N ATOM 558 CA LYS A 300 -2.073 -4.204 -7.977 1.00 1.26 C ATOM 559 C LYS A 300 -3.079 -5.338 -8.196 1.00 1.26 C ATOM 560 O LYS A 300 -3.648 -5.478 -9.260 1.00 1.60 O ATOM 561 CB LYS A 300 -0.771 -4.490 -8.725 1.00 1.50 C ATOM 562 CG LYS A 300 -1.016 -4.399 -10.232 1.00 1.94 C ATOM 563 CD LYS A 300 0.237 -4.857 -10.980 1.00 2.41 C ATOM 564 CE LYS A 300 -0.033 -4.840 -12.486 1.00 2.86 C ATOM 565 NZ LYS A 300 -1.273 -5.647 -12.662 1.00 3.50 N ATOM 0 H LYS A 300 -0.743 -4.475 -6.329 1.00 1.08 H new ATOM 0 HA LYS A 300 -2.551 -3.287 -8.322 1.00 1.26 H new ATOM 0 HB2 LYS A 300 -0.004 -3.775 -8.427 1.00 1.50 H new ATOM 0 HB3 LYS A 300 -0.401 -5.482 -8.466 1.00 1.50 H new ATOM 0 HG2 LYS A 300 -1.867 -5.020 -10.511 1.00 1.94 H new ATOM 0 HG3 LYS A 300 -1.265 -3.375 -10.510 1.00 1.94 H new ATOM 0 HD2 LYS A 300 1.075 -4.202 -10.743 1.00 2.41 H new ATOM 0 HD3 LYS A 300 0.517 -5.861 -10.661 1.00 2.41 H new ATOM 0 HE2 LYS A 300 -0.169 -3.822 -12.852 1.00 2.86 H new ATOM 0 HE3 LYS A 300 0.800 -5.270 -13.042 1.00 2.86 H new ATOM 0 HZ1 LYS A 300 -1.282 -6.067 -13.613 1.00 3.50 H new ATOM 0 HZ2 LYS A 300 -1.299 -6.404 -11.949 1.00 3.50 H new ATOM 0 HZ3 LYS A 300 -2.105 -5.034 -12.546 1.00 3.50 H new ATOM 579 N GLY A 301 -3.300 -6.148 -7.198 1.00 1.23 N ATOM 580 CA GLY A 301 -4.269 -7.271 -7.350 1.00 1.46 C ATOM 581 C GLY A 301 -5.419 -7.090 -6.359 1.00 1.27 C ATOM 582 O GLY A 301 -6.417 -7.781 -6.418 1.00 1.58 O ATOM 0 H GLY A 301 -2.852 -6.082 -6.284 1.00 1.23 H new ATOM 0 HA2 GLY A 301 -4.654 -7.298 -8.369 1.00 1.46 H new ATOM 0 HA3 GLY A 301 -3.769 -8.223 -7.173 1.00 1.46 H new ATOM 586 N ILE A 302 -5.290 -6.165 -5.447 1.00 1.17 N ATOM 587 CA ILE A 302 -6.379 -5.941 -4.453 1.00 1.34 C ATOM 588 C ILE A 302 -7.734 -5.871 -5.163 1.00 1.84 C ATOM 589 O ILE A 302 -8.077 -4.875 -5.767 1.00 2.40 O ATOM 590 CB ILE A 302 -6.046 -4.602 -3.795 1.00 1.38 C ATOM 591 CG1 ILE A 302 -4.911 -4.800 -2.789 1.00 1.63 C ATOM 592 CG2 ILE A 302 -7.281 -4.065 -3.069 1.00 1.86 C ATOM 593 CD1 ILE A 302 -4.674 -3.495 -2.026 1.00 1.65 C ATOM 0 H ILE A 302 -4.479 -5.555 -5.347 1.00 1.17 H new ATOM 0 HA ILE A 302 -6.445 -6.747 -3.722 1.00 1.34 H new ATOM 0 HB ILE A 302 -5.738 -3.889 -4.560 1.00 1.38 H new ATOM 0 HG12 ILE A 302 -5.163 -5.600 -2.093 1.00 1.63 H new ATOM 0 HG13 ILE A 302 -4.000 -5.102 -3.306 1.00 1.63 H new ATOM 0 HG21 ILE A 302 -7.041 -3.110 -2.601 1.00 1.86 H new ATOM 0 HG22 ILE A 302 -8.091 -3.925 -3.784 1.00 1.86 H new ATOM 0 HG23 ILE A 302 -7.591 -4.777 -2.304 1.00 1.86 H new ATOM 0 HD11 ILE A 302 -3.865 -3.635 -1.309 1.00 1.65 H new ATOM 0 HD12 ILE A 302 -4.404 -2.707 -2.729 1.00 1.65 H new ATOM 0 HD13 ILE A 302 -5.584 -3.213 -1.496 1.00 1.65 H new ATOM 605 N ARG A 303 -8.505 -6.921 -5.095 1.00 2.37 N ATOM 606 CA ARG A 303 -9.836 -6.911 -5.766 1.00 3.11 C ATOM 607 C ARG A 303 -10.680 -5.743 -5.248 1.00 3.80 C ATOM 608 O ARG A 303 -10.871 -4.798 -5.996 1.00 4.31 O ATOM 609 CB ARG A 303 -10.479 -8.246 -5.391 1.00 3.84 C ATOM 610 CG ARG A 303 -11.580 -8.586 -6.398 1.00 4.48 C ATOM 611 CD ARG A 303 -10.967 -8.749 -7.791 1.00 5.33 C ATOM 612 NE ARG A 303 -11.499 -7.603 -8.578 1.00 5.91 N ATOM 613 CZ ARG A 303 -12.748 -7.596 -8.963 1.00 6.51 C ATOM 614 NH1 ARG A 303 -13.532 -8.599 -8.673 1.00 6.65 N ATOM 615 NH2 ARG A 303 -13.212 -6.583 -9.642 1.00 7.27 N ATOM 616 OXT ARG A 303 -11.119 -5.814 -4.112 1.00 4.29 O ATOM 0 H ARG A 303 -8.272 -7.784 -4.605 1.00 2.37 H new ATOM 0 HA ARG A 303 -9.754 -6.788 -6.846 1.00 3.11 H new ATOM 0 HB2 ARG A 303 -9.726 -9.034 -5.381 1.00 3.84 H new ATOM 0 HB3 ARG A 303 -10.896 -8.191 -4.386 1.00 3.84 H new ATOM 0 HG2 ARG A 303 -12.086 -9.505 -6.102 1.00 4.48 H new ATOM 0 HG3 ARG A 303 -12.332 -7.797 -6.410 1.00 4.48 H new ATOM 0 HD2 ARG A 303 -9.878 -8.728 -7.749 1.00 5.33 H new ATOM 0 HD3 ARG A 303 -11.250 -9.702 -8.239 1.00 5.33 H new ATOM 0 HE ARG A 303 -10.888 -6.822 -8.817 1.00 5.91 H new ATOM 0 HH11 ARG A 303 -13.170 -9.392 -8.144 1.00 6.65 H new ATOM 0 HH12 ARG A 303 -14.506 -8.589 -8.976 1.00 6.65 H new ATOM 0 HH21 ARG A 303 -12.600 -5.799 -9.871 1.00 7.27 H new ATOM 0 HH22 ARG A 303 -14.186 -6.575 -9.944 1.00 7.27 H new TER 630 ARG A 303 END