USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) HEADER UNKNOWN FUNCTION 15-AUG-01 1JRU TITLE NMR STRUCTURE OF THE UBX DOMAIN FROM P47 (ENERGY MINIMISED TITLE 2 AVERAGE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: P47 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (RESIDUES 282-370); COMPND 5 SYNONYM: XY40 PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPRO-EX HTB KEYWDS UBIQUITIN SUPERFOLD, UBX, UNUSUAL N-TERMINAL FEATURE, KEYWDS 2 UNKNOWN FUNCTION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR X.M.YUAN,A.SHAW,X.D.ZHANG,H.KONDO,J.LALLY,P.S.FREEMONT, AUTHOR 2 S.J.MATTHEWS REVDAT 3 24-FEB-09 1JRU 1 VERSN REVDAT 2 01-APR-03 1JRU 1 JRNL REVDAT 1 17-AUG-01 1JRU 0 JRNL AUTH X.YUAN,A.SHAW,X.ZHANG,H.KONDO,J.LALLY,P.S.FREEMONT, JRNL AUTH 2 S.MATTHEWS JRNL TITL SOLUTION STRUCTURE AND INTERACTION SURFACE OF THE JRNL TITL 2 C-TERMINAL DOMAIN FROM P47: A MAJOR P97-COFACTOR JRNL TITL 3 INVOLVED IN SNARE DISASSEMBLY. JRNL REF J.MOL.BIOL. V. 311 255 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11478859 JRNL DOI 10.1006/JMBI.2001.4864 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.KONDO,C.RABOUILLE,R.NEWMAN,T.P.LEVINE,D.PAPPIN, REMARK 1 AUTH 2 P.S.FREEMONT,G.WARREN REMARK 1 TITL P47 IS A COFACTOR FOR P97-MEDIATED MEMBRANE FUSION REMARK 1 REF NATURE V. 388 75 1997 REMARK 1 REFN ISSN 0028-0836 REMARK 1 DOI 10.1038/40411 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.853 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JRU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-AUG-01. REMARK 100 THE RCSB ID CODE IS RCSB014115. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 302 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 1MM 13C, 15N-LABELLED P47 C- REMARK 210 TERMINAL DOMAIN SAMPLE IN 20 REMARK 210 MM NAAC, PH5.2 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCA, HN(CO)CA, HNCACB, REMARK 210 CBCA(CO)NH, HBHA(CBCACO)NH, REMARK 210 3D_15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AURELIA 2.1.5, NMRPIPE, REMARK 210 XWINNMR, NMRVIEW 3.1.1, X-PLOR REMARK 210 3.853 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 285 -59.14 61.49 REMARK 500 SER A 286 34.51 -81.34 REMARK 500 ILE A 287 99.73 -69.22 REMARK 500 ALA A 328 54.69 -107.42 REMARK 500 ALA A 333 -49.33 -20.01 REMARK 500 ALA A 334 59.59 -142.24 REMARK 500 LEU A 348 157.56 -34.51 REMARK 500 ALA A 349 104.99 -167.37 REMARK 500 ASP A 350 -152.01 -112.98 REMARK 500 GLU A 351 -70.30 -161.94 REMARK 500 ASN A 352 -27.46 173.67 REMARK 500 GLN A 353 -144.55 -88.30 REMARK 500 LEU A 361 93.34 -47.45 REMARK 500 ALA A 363 -56.64 71.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 301 0.31 SIDE_CHAIN REMARK 500 ARG A 307 0.24 SIDE_CHAIN REMARK 500 ARG A 317 0.22 SIDE_CHAIN REMARK 500 ARG A 322 0.25 SIDE_CHAIN REMARK 500 ARG A 368 0.17 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1I42 RELATED DB: PDB REMARK 900 CONTAINS THE NMR STRUCTURE FAMILY OF THE SAME PROTEIN DBREF 1JRU A 282 370 UNP O35987 NSF1C_RAT 282 370 SEQRES 1 A 89 LYS ALA SER SER SER ILE LEU ILE ASN GLU ALA GLU PRO SEQRES 2 A 89 THR THR ASN ILE GLN ILE ARG LEU ALA ASP GLY GLY ARG SEQRES 3 A 89 LEU VAL GLN LYS PHE ASN HIS SER HIS ARG ILE SER ASP SEQRES 4 A 89 ILE ARG LEU PHE ILE VAL ASP ALA ARG PRO ALA MET ALA SEQRES 5 A 89 ALA THR SER PHE VAL LEU MET THR THR PHE PRO ASN LYS SEQRES 6 A 89 GLU LEU ALA ASP GLU ASN GLN THR LEU LYS GLU ALA ASN SEQRES 7 A 89 LEU LEU ASN ALA VAL ILE VAL GLN ARG LEU THR HELIX 1 1 ILE A 318 ALA A 328 1 11 HELIX 2 2 ALA A 331 THR A 335 5 5 HELIX 3 3 LEU A 355 ASN A 359 5 5 SHEET 1 A 4 GLY A 306 PHE A 312 0 SHEET 2 A 4 THR A 296 LEU A 302 -1 N LEU A 302 O GLY A 306 SHEET 3 A 4 VAL A 364 LEU A 369 1 O GLN A 367 N GLN A 299 SHEET 4 A 4 PHE A 337 MET A 340 -1 N MET A 340 O VAL A 366 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 341 THR OG1 : rot -161:sc= 0.524 USER MOD Set 1.2: A 362 ASN : amide:sc= -9.14! C(o=-8.6!,f=-20!) USER MOD Set 2.1: A 310 GLN : amide:sc= -3.64! C(o=-5.4!,f=-7.2!) USER MOD Set 2.2: A 367 GLN : amide:sc= -1.8! C(o=-5.4!,f=-8.8!) USER MOD Set 3.1: A 290 ASN : amide:sc= -6.15! C(o=-9.8!,f=-11!) USER MOD Set 3.2: A 295 THR OG1 : rot -122:sc= -3.68! USER MOD Set 4.1: A 285 SER OG : rot -84:sc= 0.0889! USER MOD Set 4.2: A 286 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 282 LYS NZ :NH3+ 141:sc= -0.217 (180deg=-1.43!) USER MOD Single : A 284 SER OG : rot 177:sc= -2.62! USER MOD Single : A 296 THR OG1 : rot 15:sc= 0.409 USER MOD Single : A 297 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.9!) USER MOD Single : A 299 GLN : amide:sc= -0.678 K(o=-0.68,f=-0.011) USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 ASN : amide:sc= -1.96! C(o=-2!,f=-5.6!) USER MOD Single : A 314 HIS : no HE2:sc= -19! C(o=-19!,f=-21!) USER MOD Single : A 315 SER OG : rot 180:sc= 0.048 USER MOD Single : A 316 HIS : no HD1:sc= -19! C(o=-19!,f=-25!) USER MOD Single : A 319 SER OG : rot 180:sc= 0 USER MOD Single : A 332 MET CE :methyl -157:sc= -2.39 (180deg=-4.32!) USER MOD Single : A 335 THR OG1 : rot 180:sc= 0 USER MOD Single : A 336 SER OG : rot 180:sc= 0 USER MOD Single : A 340 MET CE :methyl -159:sc= -0.0541 (180deg=-0.708) USER MOD Single : A 342 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 345 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 ASN : amide:sc= -0.407 K(o=-0.41,f=-3!) USER MOD Single : A 353 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 ASN : amide:sc= -5.12! C(o=-5.1!,f=-3.6!) USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 282 49.145 -5.189 7.648 1.00 8.47 N ATOM 2 CA LYS A 282 50.014 -6.192 8.327 1.00 7.72 C ATOM 3 C LYS A 282 51.485 -5.785 8.200 1.00 6.58 C ATOM 4 O LYS A 282 51.956 -5.470 7.125 1.00 6.40 O ATOM 5 CB LYS A 282 49.738 -7.518 7.594 1.00 8.16 C ATOM 6 CG LYS A 282 50.734 -7.714 6.440 1.00 8.46 C ATOM 7 CD LYS A 282 50.522 -9.088 5.802 1.00 9.00 C ATOM 8 CE LYS A 282 49.559 -8.958 4.620 1.00 9.44 C ATOM 9 NZ LYS A 282 50.295 -8.156 3.601 1.00 9.99 N ATOM 0 HA LYS A 282 49.805 -6.274 9.394 1.00 7.72 H new ATOM 0 HB2 LYS A 282 49.815 -8.350 8.294 1.00 8.16 H new ATOM 0 HB3 LYS A 282 48.719 -7.521 7.207 1.00 8.16 H new ATOM 0 HG2 LYS A 282 50.599 -6.931 5.694 1.00 8.46 H new ATOM 0 HG3 LYS A 282 51.756 -7.628 6.810 1.00 8.46 H new ATOM 0 HD2 LYS A 282 51.475 -9.495 5.465 1.00 9.00 H new ATOM 0 HD3 LYS A 282 50.120 -9.784 6.538 1.00 9.00 H new ATOM 0 HE2 LYS A 282 49.284 -9.937 4.227 1.00 9.44 H new ATOM 0 HE3 LYS A 282 48.635 -8.463 4.918 1.00 9.44 H new ATOM 0 HZ1 LYS A 282 50.095 -8.533 2.652 1.00 9.99 H new ATOM 0 HZ2 LYS A 282 49.987 -7.164 3.651 1.00 9.99 H new ATOM 0 HZ3 LYS A 282 51.317 -8.211 3.787 1.00 9.99 H new ATOM 25 N ALA A 283 52.221 -5.803 9.275 1.00 6.02 N ATOM 26 CA ALA A 283 53.657 -5.431 9.174 1.00 4.95 C ATOM 27 C ALA A 283 54.281 -6.179 7.995 1.00 3.87 C ATOM 28 O ALA A 283 53.990 -7.337 7.770 1.00 3.67 O ATOM 29 CB ALA A 283 54.283 -5.881 10.495 1.00 5.20 C ATOM 0 H ALA A 283 51.895 -6.056 10.208 1.00 6.02 H new ATOM 0 HA ALA A 283 53.810 -4.365 9.008 1.00 4.95 H new ATOM 0 HB1 ALA A 283 55.346 -5.639 10.495 1.00 5.20 H new ATOM 0 HB2 ALA A 283 53.794 -5.368 11.323 1.00 5.20 H new ATOM 0 HB3 ALA A 283 54.156 -6.957 10.610 1.00 5.20 H new ATOM 35 N SER A 284 55.121 -5.535 7.228 1.00 3.33 N ATOM 36 CA SER A 284 55.734 -6.237 6.063 1.00 2.63 C ATOM 37 C SER A 284 56.167 -7.645 6.473 1.00 1.87 C ATOM 38 O SER A 284 55.636 -8.626 5.994 1.00 1.78 O ATOM 39 CB SER A 284 56.945 -5.389 5.676 1.00 3.01 C ATOM 40 OG SER A 284 56.609 -4.013 5.789 1.00 3.68 O ATOM 0 H SER A 284 55.407 -4.564 7.356 1.00 3.33 H new ATOM 0 HA SER A 284 55.039 -6.346 5.231 1.00 2.63 H new ATOM 0 HB2 SER A 284 57.790 -5.623 6.324 1.00 3.01 H new ATOM 0 HB3 SER A 284 57.253 -5.618 4.656 1.00 3.01 H new ATOM 0 HG SER A 284 57.398 -3.466 5.593 1.00 3.68 H new ATOM 46 N SER A 285 57.101 -7.747 7.382 1.00 1.81 N ATOM 47 CA SER A 285 57.559 -9.090 7.855 1.00 2.19 C ATOM 48 C SER A 285 58.162 -9.911 6.708 1.00 1.94 C ATOM 49 O SER A 285 59.304 -10.324 6.763 1.00 2.71 O ATOM 50 CB SER A 285 56.299 -9.768 8.390 1.00 2.86 C ATOM 51 OG SER A 285 55.748 -10.606 7.381 1.00 3.41 O ATOM 0 H SER A 285 57.570 -6.954 7.820 1.00 1.81 H new ATOM 0 HA SER A 285 58.340 -9.004 8.610 1.00 2.19 H new ATOM 0 HB2 SER A 285 56.538 -10.356 9.276 1.00 2.86 H new ATOM 0 HB3 SER A 285 55.569 -9.017 8.693 1.00 2.86 H new ATOM 0 HG SER A 285 55.179 -10.073 6.788 1.00 3.41 H new ATOM 57 N SER A 286 57.402 -10.164 5.680 1.00 1.19 N ATOM 58 CA SER A 286 57.920 -10.974 4.543 1.00 1.37 C ATOM 59 C SER A 286 58.761 -10.119 3.591 1.00 1.07 C ATOM 60 O SER A 286 58.772 -10.344 2.397 1.00 1.17 O ATOM 61 CB SER A 286 56.671 -11.490 3.831 1.00 1.93 C ATOM 62 OG SER A 286 55.641 -11.705 4.787 1.00 2.66 O ATOM 0 H SER A 286 56.439 -9.843 5.578 1.00 1.19 H new ATOM 0 HA SER A 286 58.570 -11.780 4.885 1.00 1.37 H new ATOM 0 HB2 SER A 286 56.343 -10.771 3.081 1.00 1.93 H new ATOM 0 HB3 SER A 286 56.895 -12.418 3.306 1.00 1.93 H new ATOM 0 HG SER A 286 54.837 -12.035 4.333 1.00 2.66 H new ATOM 68 N ILE A 287 59.484 -9.157 4.097 1.00 0.85 N ATOM 69 CA ILE A 287 60.326 -8.332 3.190 1.00 0.88 C ATOM 70 C ILE A 287 61.466 -9.205 2.664 1.00 0.84 C ATOM 71 O ILE A 287 62.445 -9.448 3.342 1.00 0.95 O ATOM 72 CB ILE A 287 60.857 -7.184 4.052 1.00 1.01 C ATOM 73 CG1 ILE A 287 59.706 -6.570 4.855 1.00 0.80 C ATOM 74 CG2 ILE A 287 61.464 -6.111 3.147 1.00 1.46 C ATOM 75 CD1 ILE A 287 60.163 -5.247 5.475 1.00 1.07 C ATOM 0 H ILE A 287 59.527 -8.910 5.086 1.00 0.85 H new ATOM 0 HA ILE A 287 59.780 -7.943 2.331 1.00 0.88 H new ATOM 0 HB ILE A 287 61.616 -7.566 4.735 1.00 1.01 H new ATOM 0 HG12 ILE A 287 58.846 -6.402 4.207 1.00 0.80 H new ATOM 0 HG13 ILE A 287 59.386 -7.259 5.637 1.00 0.80 H new ATOM 0 HG21 ILE A 287 61.843 -5.292 3.758 1.00 1.46 H new ATOM 0 HG22 ILE A 287 62.282 -6.542 2.570 1.00 1.46 H new ATOM 0 HG23 ILE A 287 60.700 -5.733 2.467 1.00 1.46 H new ATOM 0 HD11 ILE A 287 59.344 -4.811 6.046 1.00 1.07 H new ATOM 0 HD12 ILE A 287 61.010 -5.429 6.136 1.00 1.07 H new ATOM 0 HD13 ILE A 287 60.461 -4.558 4.684 1.00 1.07 H new ATOM 87 N LEU A 288 61.324 -9.703 1.469 1.00 0.87 N ATOM 88 CA LEU A 288 62.367 -10.596 0.890 1.00 0.87 C ATOM 89 C LEU A 288 63.056 -9.926 -0.299 1.00 1.03 C ATOM 90 O LEU A 288 62.468 -9.131 -1.005 1.00 1.22 O ATOM 91 CB LEU A 288 61.611 -11.846 0.442 1.00 0.90 C ATOM 92 CG LEU A 288 61.703 -12.915 1.533 1.00 1.08 C ATOM 93 CD1 LEU A 288 63.172 -13.184 1.863 1.00 1.33 C ATOM 94 CD2 LEU A 288 60.981 -12.424 2.791 1.00 0.99 C ATOM 0 H LEU A 288 60.523 -9.529 0.862 1.00 0.87 H new ATOM 0 HA LEU A 288 63.152 -10.828 1.610 1.00 0.87 H new ATOM 0 HB2 LEU A 288 60.567 -11.602 0.244 1.00 0.90 H new ATOM 0 HB3 LEU A 288 62.032 -12.224 -0.490 1.00 0.90 H new ATOM 0 HG LEU A 288 61.236 -13.834 1.180 1.00 1.08 H new ATOM 0 HD11 LEU A 288 63.237 -13.946 2.640 1.00 1.33 H new ATOM 0 HD12 LEU A 288 63.688 -13.534 0.969 1.00 1.33 H new ATOM 0 HD13 LEU A 288 63.640 -12.265 2.216 1.00 1.33 H new ATOM 0 HD21 LEU A 288 61.046 -13.185 3.568 1.00 0.99 H new ATOM 0 HD22 LEU A 288 61.448 -11.504 3.143 1.00 0.99 H new ATOM 0 HD23 LEU A 288 59.934 -12.232 2.558 1.00 0.99 H new ATOM 106 N ILE A 289 64.304 -10.237 -0.520 1.00 1.11 N ATOM 107 CA ILE A 289 65.034 -9.613 -1.657 1.00 1.33 C ATOM 108 C ILE A 289 64.811 -10.440 -2.930 1.00 1.14 C ATOM 109 O ILE A 289 65.047 -11.631 -2.961 1.00 0.99 O ATOM 110 CB ILE A 289 66.507 -9.637 -1.231 1.00 1.63 C ATOM 111 CG1 ILE A 289 67.284 -8.595 -2.033 1.00 2.38 C ATOM 112 CG2 ILE A 289 67.108 -11.024 -1.482 1.00 1.69 C ATOM 113 CD1 ILE A 289 68.657 -8.374 -1.395 1.00 2.39 C ATOM 0 H ILE A 289 64.848 -10.895 0.037 1.00 1.11 H new ATOM 0 HA ILE A 289 64.696 -8.600 -1.878 1.00 1.33 H new ATOM 0 HB ILE A 289 66.573 -9.409 -0.167 1.00 1.63 H new ATOM 0 HG12 ILE A 289 67.401 -8.928 -3.064 1.00 2.38 H new ATOM 0 HG13 ILE A 289 66.730 -7.657 -2.062 1.00 2.38 H new ATOM 0 HG21 ILE A 289 68.154 -11.028 -1.176 1.00 1.69 H new ATOM 0 HG22 ILE A 289 66.558 -11.768 -0.906 1.00 1.69 H new ATOM 0 HG23 ILE A 289 67.040 -11.263 -2.543 1.00 1.69 H new ATOM 0 HD11 ILE A 289 69.209 -7.630 -1.969 1.00 2.39 H new ATOM 0 HD12 ILE A 289 68.530 -8.022 -0.371 1.00 2.39 H new ATOM 0 HD13 ILE A 289 69.211 -9.313 -1.389 1.00 2.39 H new ATOM 125 N ASN A 290 64.334 -9.811 -3.971 1.00 1.37 N ATOM 126 CA ASN A 290 64.063 -10.550 -5.239 1.00 1.39 C ATOM 127 C ASN A 290 65.349 -11.147 -5.815 1.00 1.19 C ATOM 128 O ASN A 290 66.414 -10.570 -5.726 1.00 1.14 O ATOM 129 CB ASN A 290 63.487 -9.501 -6.192 1.00 1.73 C ATOM 130 CG ASN A 290 64.354 -8.241 -6.155 1.00 1.87 C ATOM 131 OD1 ASN A 290 65.566 -8.323 -6.187 1.00 2.53 O ATOM 132 ND2 ASN A 290 63.780 -7.071 -6.088 1.00 2.07 N ATOM 0 H ASN A 290 64.120 -8.814 -3.998 1.00 1.37 H new ATOM 0 HA ASN A 290 63.381 -11.386 -5.081 1.00 1.39 H new ATOM 0 HB2 ASN A 290 63.449 -9.899 -7.206 1.00 1.73 H new ATOM 0 HB3 ASN A 290 62.463 -9.259 -5.906 1.00 1.73 H new ATOM 0 HD21 ASN A 290 64.349 -6.225 -6.062 1.00 2.07 H new ATOM 0 HD22 ASN A 290 62.763 -7.003 -6.061 1.00 2.07 H new ATOM 139 N GLU A 291 65.246 -12.304 -6.410 1.00 1.30 N ATOM 140 CA GLU A 291 66.445 -12.962 -7.002 1.00 1.37 C ATOM 141 C GLU A 291 66.676 -12.454 -8.430 1.00 1.36 C ATOM 142 O GLU A 291 67.361 -13.076 -9.216 1.00 1.60 O ATOM 143 CB GLU A 291 66.098 -14.453 -7.009 1.00 1.76 C ATOM 144 CG GLU A 291 67.256 -15.257 -7.605 1.00 2.66 C ATOM 145 CD GLU A 291 67.029 -16.747 -7.340 1.00 3.10 C ATOM 146 OE1 GLU A 291 65.949 -17.225 -7.645 1.00 3.30 O ATOM 147 OE2 GLU A 291 67.939 -17.384 -6.837 1.00 3.74 O ATOM 0 H GLU A 291 64.375 -12.826 -6.512 1.00 1.30 H new ATOM 0 HA GLU A 291 67.358 -12.754 -6.444 1.00 1.37 H new ATOM 0 HB2 GLU A 291 65.894 -14.792 -5.993 1.00 1.76 H new ATOM 0 HB3 GLU A 291 65.191 -14.621 -7.590 1.00 1.76 H new ATOM 0 HG2 GLU A 291 67.327 -15.074 -8.677 1.00 2.66 H new ATOM 0 HG3 GLU A 291 68.200 -14.938 -7.164 1.00 2.66 H new ATOM 154 N ALA A 292 66.106 -11.330 -8.775 1.00 1.28 N ATOM 155 CA ALA A 292 66.295 -10.799 -10.157 1.00 1.31 C ATOM 156 C ALA A 292 66.641 -9.306 -10.124 1.00 1.03 C ATOM 157 O ALA A 292 66.823 -8.683 -11.151 1.00 1.06 O ATOM 158 CB ALA A 292 64.951 -11.020 -10.851 1.00 1.49 C ATOM 0 H ALA A 292 65.521 -10.760 -8.164 1.00 1.28 H new ATOM 0 HA ALA A 292 67.115 -11.297 -10.675 1.00 1.31 H new ATOM 0 HB1 ALA A 292 65.007 -10.655 -11.876 1.00 1.49 H new ATOM 0 HB2 ALA A 292 64.715 -12.084 -10.857 1.00 1.49 H new ATOM 0 HB3 ALA A 292 64.171 -10.479 -10.315 1.00 1.49 H new ATOM 164 N GLU A 293 66.733 -8.725 -8.959 1.00 0.89 N ATOM 165 CA GLU A 293 67.066 -7.272 -8.882 1.00 0.86 C ATOM 166 C GLU A 293 67.997 -6.997 -7.698 1.00 0.81 C ATOM 167 O GLU A 293 67.946 -7.680 -6.694 1.00 0.91 O ATOM 168 CB GLU A 293 65.725 -6.565 -8.679 1.00 1.06 C ATOM 169 CG GLU A 293 64.720 -7.063 -9.719 1.00 1.39 C ATOM 170 CD GLU A 293 63.686 -5.968 -9.992 1.00 1.75 C ATOM 171 OE1 GLU A 293 63.297 -5.300 -9.049 1.00 2.29 O ATOM 172 OE2 GLU A 293 63.302 -5.817 -11.140 1.00 2.20 O ATOM 0 H GLU A 293 66.593 -9.189 -8.062 1.00 0.89 H new ATOM 0 HA GLU A 293 67.581 -6.925 -9.777 1.00 0.86 H new ATOM 0 HB2 GLU A 293 65.349 -6.758 -7.674 1.00 1.06 H new ATOM 0 HB3 GLU A 293 65.854 -5.486 -8.770 1.00 1.06 H new ATOM 0 HG2 GLU A 293 65.236 -7.329 -10.641 1.00 1.39 H new ATOM 0 HG3 GLU A 293 64.225 -7.965 -9.359 1.00 1.39 H new ATOM 179 N PRO A 294 68.817 -5.994 -7.859 1.00 0.74 N ATOM 180 CA PRO A 294 69.770 -5.609 -6.791 1.00 0.80 C ATOM 181 C PRO A 294 69.032 -4.898 -5.654 1.00 0.70 C ATOM 182 O PRO A 294 68.361 -3.907 -5.862 1.00 0.72 O ATOM 183 CB PRO A 294 70.731 -4.655 -7.496 1.00 0.87 C ATOM 184 CG PRO A 294 69.953 -4.096 -8.645 1.00 0.79 C ATOM 185 CD PRO A 294 68.931 -5.133 -9.041 1.00 0.70 C ATOM 0 HA PRO A 294 70.279 -6.461 -6.340 1.00 0.80 H new ATOM 0 HB2 PRO A 294 71.065 -3.864 -6.824 1.00 0.87 H new ATOM 0 HB3 PRO A 294 71.623 -5.178 -7.841 1.00 0.87 H new ATOM 0 HG2 PRO A 294 69.465 -3.164 -8.361 1.00 0.79 H new ATOM 0 HG3 PRO A 294 70.613 -3.868 -9.482 1.00 0.79 H new ATOM 0 HD2 PRO A 294 67.975 -4.674 -9.293 1.00 0.70 H new ATOM 0 HD3 PRO A 294 69.254 -5.698 -9.916 1.00 0.70 H new ATOM 193 N THR A 295 69.145 -5.399 -4.455 1.00 0.65 N ATOM 194 CA THR A 295 68.443 -4.753 -3.309 1.00 0.58 C ATOM 195 C THR A 295 69.342 -4.761 -2.068 1.00 0.51 C ATOM 196 O THR A 295 70.330 -5.466 -2.011 1.00 0.55 O ATOM 197 CB THR A 295 67.189 -5.599 -3.082 1.00 0.65 C ATOM 198 OG1 THR A 295 67.276 -6.791 -3.851 1.00 0.82 O ATOM 199 CG2 THR A 295 65.954 -4.806 -3.512 1.00 0.94 C ATOM 0 H THR A 295 69.692 -6.227 -4.219 1.00 0.65 H new ATOM 0 HA THR A 295 68.193 -3.711 -3.508 1.00 0.58 H new ATOM 0 HB THR A 295 67.109 -5.853 -2.025 1.00 0.65 H new ATOM 0 HG1 THR A 295 66.507 -6.847 -4.456 1.00 0.82 H new ATOM 0 HG21 THR A 295 65.060 -5.409 -3.350 1.00 0.94 H new ATOM 0 HG22 THR A 295 65.886 -3.891 -2.924 1.00 0.94 H new ATOM 0 HG23 THR A 295 66.034 -4.552 -4.569 1.00 0.94 H new ATOM 207 N THR A 296 69.015 -3.972 -1.080 1.00 0.44 N ATOM 208 CA THR A 296 69.861 -3.923 0.149 1.00 0.41 C ATOM 209 C THR A 296 69.333 -4.884 1.217 1.00 0.39 C ATOM 210 O THR A 296 68.142 -5.044 1.393 1.00 0.39 O ATOM 211 CB THR A 296 69.761 -2.478 0.638 1.00 0.44 C ATOM 212 OG1 THR A 296 70.511 -2.333 1.836 1.00 1.07 O ATOM 213 CG2 THR A 296 68.296 -2.128 0.906 1.00 0.71 C ATOM 0 H THR A 296 68.199 -3.359 -1.070 1.00 0.44 H new ATOM 0 HA THR A 296 70.889 -4.222 -0.055 1.00 0.41 H new ATOM 0 HB THR A 296 70.158 -1.808 -0.124 1.00 0.44 H new ATOM 0 HG1 THR A 296 71.109 -3.102 1.943 1.00 1.07 H new ATOM 0 HG21 THR A 296 68.226 -1.098 1.255 1.00 0.71 H new ATOM 0 HG22 THR A 296 67.721 -2.240 -0.013 1.00 0.71 H new ATOM 0 HG23 THR A 296 67.896 -2.797 1.668 1.00 0.71 H new ATOM 221 N ASN A 297 70.219 -5.518 1.937 1.00 0.39 N ATOM 222 CA ASN A 297 69.783 -6.463 3.004 1.00 0.39 C ATOM 223 C ASN A 297 70.533 -6.159 4.304 1.00 0.38 C ATOM 224 O ASN A 297 71.746 -6.194 4.354 1.00 0.39 O ATOM 225 CB ASN A 297 70.151 -7.852 2.482 1.00 0.42 C ATOM 226 CG ASN A 297 70.115 -8.858 3.635 1.00 1.32 C ATOM 227 OD1 ASN A 297 69.056 -9.229 4.100 1.00 2.18 O ATOM 228 ND2 ASN A 297 71.237 -9.317 4.118 1.00 2.04 N ATOM 0 H ASN A 297 71.229 -5.421 1.831 1.00 0.39 H new ATOM 0 HA ASN A 297 68.718 -6.384 3.221 1.00 0.39 H new ATOM 0 HB2 ASN A 297 69.454 -8.154 1.700 1.00 0.42 H new ATOM 0 HB3 ASN A 297 71.144 -7.832 2.034 1.00 0.42 H new ATOM 0 HD21 ASN A 297 71.225 -9.988 4.886 1.00 2.04 H new ATOM 0 HD22 ASN A 297 72.126 -9.005 3.727 1.00 2.04 H new ATOM 235 N ILE A 298 69.822 -5.857 5.356 1.00 0.36 N ATOM 236 CA ILE A 298 70.500 -5.547 6.648 1.00 0.36 C ATOM 237 C ILE A 298 70.305 -6.694 7.641 1.00 0.34 C ATOM 238 O ILE A 298 69.213 -7.194 7.821 1.00 0.33 O ATOM 239 CB ILE A 298 69.819 -4.276 7.157 1.00 0.37 C ATOM 240 CG1 ILE A 298 69.751 -3.248 6.024 1.00 0.45 C ATOM 241 CG2 ILE A 298 70.621 -3.700 8.325 1.00 0.48 C ATOM 242 CD1 ILE A 298 69.369 -1.880 6.593 1.00 1.33 C ATOM 0 H ILE A 298 68.803 -5.811 5.377 1.00 0.36 H new ATOM 0 HA ILE A 298 71.575 -5.415 6.527 1.00 0.36 H new ATOM 0 HB ILE A 298 68.810 -4.512 7.494 1.00 0.37 H new ATOM 0 HG12 ILE A 298 70.714 -3.186 5.517 1.00 0.45 H new ATOM 0 HG13 ILE A 298 69.019 -3.561 5.279 1.00 0.45 H new ATOM 0 HG21 ILE A 298 70.136 -2.794 8.688 1.00 0.48 H new ATOM 0 HG22 ILE A 298 70.669 -4.433 9.130 1.00 0.48 H new ATOM 0 HG23 ILE A 298 71.631 -3.462 7.991 1.00 0.48 H new ATOM 0 HD11 ILE A 298 69.321 -1.150 5.785 1.00 1.33 H new ATOM 0 HD12 ILE A 298 68.396 -1.947 7.079 1.00 1.33 H new ATOM 0 HD13 ILE A 298 70.117 -1.567 7.321 1.00 1.33 H new ATOM 254 N GLN A 299 71.356 -7.110 8.292 1.00 0.34 N ATOM 255 CA GLN A 299 71.229 -8.221 9.277 1.00 0.33 C ATOM 256 C GLN A 299 71.335 -7.671 10.702 1.00 0.39 C ATOM 257 O GLN A 299 72.007 -6.691 10.954 1.00 0.62 O ATOM 258 CB GLN A 299 72.392 -9.167 8.972 1.00 0.34 C ATOM 259 CG GLN A 299 73.710 -8.392 9.001 1.00 1.51 C ATOM 260 CD GLN A 299 74.880 -9.377 8.972 1.00 2.01 C ATOM 261 OE1 GLN A 299 75.962 -9.068 9.429 1.00 2.44 O ATOM 262 NE2 GLN A 299 74.707 -10.560 8.448 1.00 2.56 N ATOM 0 H GLN A 299 72.296 -6.729 8.185 1.00 0.34 H new ATOM 0 HA GLN A 299 70.269 -8.732 9.203 1.00 0.33 H new ATOM 0 HB2 GLN A 299 72.418 -9.974 9.704 1.00 0.34 H new ATOM 0 HB3 GLN A 299 72.252 -9.628 7.994 1.00 0.34 H new ATOM 0 HG2 GLN A 299 73.767 -7.718 8.147 1.00 1.51 H new ATOM 0 HG3 GLN A 299 73.762 -7.775 9.898 1.00 1.51 H new ATOM 0 HE21 GLN A 299 73.798 -10.820 8.064 1.00 2.56 H new ATOM 0 HE22 GLN A 299 75.480 -11.225 8.422 1.00 2.56 H new ATOM 271 N ILE A 300 70.668 -8.293 11.634 1.00 0.38 N ATOM 272 CA ILE A 300 70.717 -7.808 13.046 1.00 0.43 C ATOM 273 C ILE A 300 71.058 -8.975 13.984 1.00 0.40 C ATOM 274 O ILE A 300 70.438 -10.020 13.945 1.00 0.40 O ATOM 275 CB ILE A 300 69.312 -7.216 13.339 1.00 0.57 C ATOM 276 CG1 ILE A 300 68.875 -7.549 14.774 1.00 1.03 C ATOM 277 CG2 ILE A 300 68.272 -7.776 12.358 1.00 1.25 C ATOM 278 CD1 ILE A 300 67.450 -7.044 15.010 1.00 1.17 C ATOM 0 H ILE A 300 70.089 -9.119 11.480 1.00 0.38 H new ATOM 0 HA ILE A 300 71.486 -7.052 13.203 1.00 0.43 H new ATOM 0 HB ILE A 300 69.376 -6.134 13.220 1.00 0.57 H new ATOM 0 HG12 ILE A 300 68.921 -8.626 14.938 1.00 1.03 H new ATOM 0 HG13 ILE A 300 69.557 -7.088 15.488 1.00 1.03 H new ATOM 0 HG21 ILE A 300 67.294 -7.348 12.581 1.00 1.25 H new ATOM 0 HG22 ILE A 300 68.557 -7.517 11.338 1.00 1.25 H new ATOM 0 HG23 ILE A 300 68.225 -8.860 12.458 1.00 1.25 H new ATOM 0 HD11 ILE A 300 67.144 -7.282 16.029 1.00 1.17 H new ATOM 0 HD12 ILE A 300 67.418 -5.964 14.864 1.00 1.17 H new ATOM 0 HD13 ILE A 300 66.772 -7.526 14.305 1.00 1.17 H new ATOM 290 N ARG A 301 72.044 -8.800 14.823 1.00 0.39 N ATOM 291 CA ARG A 301 72.436 -9.892 15.762 1.00 0.39 C ATOM 292 C ARG A 301 72.207 -9.456 17.212 1.00 0.44 C ATOM 293 O ARG A 301 72.339 -8.297 17.550 1.00 0.48 O ATOM 294 CB ARG A 301 73.925 -10.121 15.500 1.00 0.41 C ATOM 295 CG ARG A 301 74.338 -11.487 16.052 1.00 0.86 C ATOM 296 CD ARG A 301 75.773 -11.412 16.580 1.00 1.15 C ATOM 297 NE ARG A 301 76.634 -11.523 15.370 1.00 1.42 N ATOM 298 CZ ARG A 301 77.765 -12.171 15.431 1.00 1.99 C ATOM 299 NH1 ARG A 301 78.806 -11.615 15.990 1.00 2.54 N ATOM 300 NH2 ARG A 301 77.857 -13.373 14.933 1.00 2.64 N ATOM 0 H ARG A 301 72.596 -7.946 14.899 1.00 0.39 H new ATOM 0 HA ARG A 301 71.849 -10.798 15.609 1.00 0.39 H new ATOM 0 HB2 ARG A 301 74.128 -10.073 14.430 1.00 0.41 H new ATOM 0 HB3 ARG A 301 74.513 -9.334 15.972 1.00 0.41 H new ATOM 0 HG2 ARG A 301 73.661 -11.788 16.851 1.00 0.86 H new ATOM 0 HG3 ARG A 301 74.266 -12.244 15.271 1.00 0.86 H new ATOM 0 HD2 ARG A 301 75.951 -10.475 17.107 1.00 1.15 H new ATOM 0 HD3 ARG A 301 75.977 -12.218 17.285 1.00 1.15 H new ATOM 0 HE ARG A 301 76.340 -11.092 14.493 1.00 1.42 H new ATOM 0 HH11 ARG A 301 78.735 -10.675 16.379 1.00 2.54 H new ATOM 0 HH12 ARG A 301 79.690 -12.121 16.038 1.00 2.54 H new ATOM 0 HH21 ARG A 301 77.044 -13.807 14.495 1.00 2.64 H new ATOM 0 HH22 ARG A 301 78.742 -13.879 14.981 1.00 2.64 H new ATOM 314 N LEU A 302 71.862 -10.378 18.070 1.00 0.50 N ATOM 315 CA LEU A 302 71.621 -10.018 19.497 1.00 0.60 C ATOM 316 C LEU A 302 72.849 -10.341 20.350 1.00 0.65 C ATOM 317 O LEU A 302 73.503 -11.347 20.160 1.00 0.62 O ATOM 318 CB LEU A 302 70.432 -10.876 19.929 1.00 0.64 C ATOM 319 CG LEU A 302 69.383 -9.991 20.602 1.00 0.96 C ATOM 320 CD1 LEU A 302 68.270 -9.674 19.605 1.00 1.59 C ATOM 321 CD2 LEU A 302 68.792 -10.726 21.807 1.00 1.60 C ATOM 0 H LEU A 302 71.737 -11.365 17.844 1.00 0.50 H new ATOM 0 HA LEU A 302 71.425 -8.953 19.620 1.00 0.60 H new ATOM 0 HB2 LEU A 302 69.999 -11.378 19.064 1.00 0.64 H new ATOM 0 HB3 LEU A 302 70.762 -11.654 20.617 1.00 0.64 H new ATOM 0 HG LEU A 302 69.850 -9.064 20.935 1.00 0.96 H new ATOM 0 HD11 LEU A 302 67.521 -9.043 20.084 1.00 1.59 H new ATOM 0 HD12 LEU A 302 68.689 -9.151 18.746 1.00 1.59 H new ATOM 0 HD13 LEU A 302 67.804 -10.602 19.273 1.00 1.59 H new ATOM 0 HD21 LEU A 302 68.044 -10.095 22.287 1.00 1.60 H new ATOM 0 HD22 LEU A 302 68.325 -11.653 21.475 1.00 1.60 H new ATOM 0 HD23 LEU A 302 69.585 -10.954 22.519 1.00 1.60 H new ATOM 333 N ALA A 303 73.162 -9.496 21.293 1.00 0.75 N ATOM 334 CA ALA A 303 74.342 -9.754 22.165 1.00 0.83 C ATOM 335 C ALA A 303 74.071 -10.960 23.067 1.00 0.79 C ATOM 336 O ALA A 303 74.943 -11.433 23.769 1.00 0.84 O ATOM 337 CB ALA A 303 74.502 -8.483 23.002 1.00 1.02 C ATOM 0 H ALA A 303 72.651 -8.637 21.498 1.00 0.75 H new ATOM 0 HA ALA A 303 75.241 -9.978 21.592 1.00 0.83 H new ATOM 0 HB1 ALA A 303 75.354 -8.594 23.673 1.00 1.02 H new ATOM 0 HB2 ALA A 303 74.668 -7.631 22.342 1.00 1.02 H new ATOM 0 HB3 ALA A 303 73.598 -8.317 23.588 1.00 1.02 H new ATOM 343 N ASP A 304 72.865 -11.462 23.053 1.00 0.82 N ATOM 344 CA ASP A 304 72.535 -12.637 23.909 1.00 0.93 C ATOM 345 C ASP A 304 72.479 -13.910 23.060 1.00 1.06 C ATOM 346 O ASP A 304 71.941 -14.919 23.471 1.00 1.29 O ATOM 347 CB ASP A 304 71.160 -12.323 24.498 1.00 1.19 C ATOM 348 CG ASP A 304 71.067 -12.898 25.913 1.00 2.11 C ATOM 349 OD1 ASP A 304 72.089 -13.323 26.427 1.00 2.67 O ATOM 350 OD2 ASP A 304 69.976 -12.904 26.458 1.00 2.88 O ATOM 0 H ASP A 304 72.095 -11.109 22.486 1.00 0.82 H new ATOM 0 HA ASP A 304 73.281 -12.806 24.685 1.00 0.93 H new ATOM 0 HB2 ASP A 304 71.000 -11.245 24.521 1.00 1.19 H new ATOM 0 HB3 ASP A 304 70.378 -12.748 23.869 1.00 1.19 H new ATOM 355 N GLY A 305 73.033 -13.871 21.880 1.00 1.11 N ATOM 356 CA GLY A 305 73.015 -15.079 21.007 1.00 1.46 C ATOM 357 C GLY A 305 71.765 -15.061 20.124 1.00 1.04 C ATOM 358 O GLY A 305 71.183 -16.088 19.835 1.00 1.27 O ATOM 0 H GLY A 305 73.498 -13.055 21.482 1.00 1.11 H new ATOM 0 HA2 GLY A 305 73.910 -15.103 20.386 1.00 1.46 H new ATOM 0 HA3 GLY A 305 73.027 -15.981 21.618 1.00 1.46 H new ATOM 362 N GLY A 306 71.347 -13.903 19.690 1.00 0.66 N ATOM 363 CA GLY A 306 70.136 -13.824 18.823 1.00 0.86 C ATOM 364 C GLY A 306 70.539 -13.327 17.434 1.00 0.66 C ATOM 365 O GLY A 306 71.520 -12.629 17.277 1.00 1.05 O ATOM 0 H GLY A 306 71.791 -13.009 19.898 1.00 0.66 H new ATOM 0 HA2 GLY A 306 69.664 -14.804 18.748 1.00 0.86 H new ATOM 0 HA3 GLY A 306 69.402 -13.149 19.264 1.00 0.86 H new ATOM 369 N ARG A 307 69.796 -13.681 16.422 1.00 0.95 N ATOM 370 CA ARG A 307 70.150 -13.221 15.048 1.00 0.87 C ATOM 371 C ARG A 307 68.890 -13.026 14.201 1.00 0.79 C ATOM 372 O ARG A 307 67.945 -13.784 14.290 1.00 1.16 O ATOM 373 CB ARG A 307 71.017 -14.337 14.465 1.00 1.51 C ATOM 374 CG ARG A 307 71.419 -13.972 13.035 1.00 1.81 C ATOM 375 CD ARG A 307 72.940 -14.056 12.894 1.00 2.22 C ATOM 376 NE ARG A 307 73.173 -14.451 11.478 1.00 2.71 N ATOM 377 CZ ARG A 307 74.227 -15.153 11.161 1.00 2.92 C ATOM 378 NH1 ARG A 307 74.521 -16.229 11.838 1.00 3.36 N ATOM 379 NH2 ARG A 307 74.987 -14.778 10.169 1.00 3.30 N ATOM 0 H ARG A 307 68.963 -14.266 16.485 1.00 0.95 H new ATOM 0 HA ARG A 307 70.669 -12.263 15.062 1.00 0.87 H new ATOM 0 HB2 ARG A 307 71.906 -14.481 15.079 1.00 1.51 H new ATOM 0 HB3 ARG A 307 70.469 -15.279 14.471 1.00 1.51 H new ATOM 0 HG2 ARG A 307 70.940 -14.649 12.328 1.00 1.81 H new ATOM 0 HG3 ARG A 307 71.076 -12.965 12.795 1.00 1.81 H new ATOM 0 HD2 ARG A 307 73.411 -13.099 13.120 1.00 2.22 H new ATOM 0 HD3 ARG A 307 73.361 -14.789 13.583 1.00 2.22 H new ATOM 0 HE ARG A 307 72.509 -14.173 10.755 1.00 2.71 H new ATOM 0 HH11 ARG A 307 73.927 -16.521 12.614 1.00 3.36 H new ATOM 0 HH12 ARG A 307 75.344 -16.778 11.591 1.00 3.36 H new ATOM 0 HH21 ARG A 307 74.758 -13.936 9.641 1.00 3.30 H new ATOM 0 HH22 ARG A 307 75.810 -15.327 9.922 1.00 3.30 H new ATOM 393 N LEU A 308 68.877 -12.018 13.374 1.00 0.49 N ATOM 394 CA LEU A 308 67.688 -11.773 12.508 1.00 0.54 C ATOM 395 C LEU A 308 68.141 -11.203 11.160 1.00 0.48 C ATOM 396 O LEU A 308 69.107 -10.472 11.080 1.00 0.54 O ATOM 397 CB LEU A 308 66.839 -10.758 13.276 1.00 0.60 C ATOM 398 CG LEU A 308 65.467 -10.630 12.612 1.00 1.08 C ATOM 399 CD1 LEU A 308 64.431 -11.406 13.426 1.00 1.64 C ATOM 400 CD2 LEU A 308 65.066 -9.154 12.553 1.00 1.24 C ATOM 0 H LEU A 308 69.640 -11.351 13.260 1.00 0.49 H new ATOM 0 HA LEU A 308 67.126 -12.683 12.296 1.00 0.54 H new ATOM 0 HB2 LEU A 308 66.724 -11.075 14.313 1.00 0.60 H new ATOM 0 HB3 LEU A 308 67.338 -9.789 13.292 1.00 0.60 H new ATOM 0 HG LEU A 308 65.513 -11.036 11.602 1.00 1.08 H new ATOM 0 HD11 LEU A 308 63.453 -11.315 12.953 1.00 1.64 H new ATOM 0 HD12 LEU A 308 64.716 -12.457 13.470 1.00 1.64 H new ATOM 0 HD13 LEU A 308 64.384 -11.000 14.437 1.00 1.64 H new ATOM 0 HD21 LEU A 308 64.088 -9.061 12.080 1.00 1.24 H new ATOM 0 HD22 LEU A 308 65.020 -8.749 13.564 1.00 1.24 H new ATOM 0 HD23 LEU A 308 65.804 -8.599 11.973 1.00 1.24 H new ATOM 412 N VAL A 309 67.459 -11.537 10.098 1.00 0.47 N ATOM 413 CA VAL A 309 67.866 -11.015 8.760 1.00 0.42 C ATOM 414 C VAL A 309 66.813 -10.043 8.223 1.00 0.39 C ATOM 415 O VAL A 309 65.630 -10.320 8.244 1.00 0.39 O ATOM 416 CB VAL A 309 67.963 -12.252 7.866 1.00 0.44 C ATOM 417 CG1 VAL A 309 68.299 -11.825 6.436 1.00 1.30 C ATOM 418 CG2 VAL A 309 69.065 -13.174 8.393 1.00 1.34 C ATOM 0 H VAL A 309 66.641 -12.146 10.098 1.00 0.47 H new ATOM 0 HA VAL A 309 68.807 -10.466 8.801 1.00 0.42 H new ATOM 0 HB VAL A 309 67.010 -12.780 7.872 1.00 0.44 H new ATOM 0 HG11 VAL A 309 68.368 -12.707 5.800 1.00 1.30 H new ATOM 0 HG12 VAL A 309 67.516 -11.166 6.060 1.00 1.30 H new ATOM 0 HG13 VAL A 309 69.252 -11.297 6.429 1.00 1.30 H new ATOM 0 HG21 VAL A 309 69.136 -14.057 7.757 1.00 1.34 H new ATOM 0 HG22 VAL A 309 70.017 -12.644 8.386 1.00 1.34 H new ATOM 0 HG23 VAL A 309 68.828 -13.479 9.412 1.00 1.34 H new ATOM 428 N GLN A 310 67.233 -8.904 7.743 1.00 0.37 N ATOM 429 CA GLN A 310 66.255 -7.915 7.207 1.00 0.36 C ATOM 430 C GLN A 310 66.615 -7.533 5.768 1.00 0.34 C ATOM 431 O GLN A 310 67.653 -6.957 5.510 1.00 0.35 O ATOM 432 CB GLN A 310 66.375 -6.700 8.128 1.00 0.38 C ATOM 433 CG GLN A 310 65.156 -6.636 9.050 1.00 1.13 C ATOM 434 CD GLN A 310 65.301 -5.452 10.007 1.00 1.10 C ATOM 435 OE1 GLN A 310 65.472 -4.328 9.580 1.00 1.84 O ATOM 436 NE2 GLN A 310 65.240 -5.659 11.294 1.00 1.56 N ATOM 0 H GLN A 310 68.210 -8.616 7.699 1.00 0.37 H new ATOM 0 HA GLN A 310 65.241 -8.313 7.184 1.00 0.36 H new ATOM 0 HB2 GLN A 310 67.288 -6.767 8.719 1.00 0.38 H new ATOM 0 HB3 GLN A 310 66.445 -5.787 7.536 1.00 0.38 H new ATOM 0 HG2 GLN A 310 64.246 -6.531 8.460 1.00 1.13 H new ATOM 0 HG3 GLN A 310 65.065 -7.564 9.614 1.00 1.13 H new ATOM 0 HE21 GLN A 310 65.096 -6.603 11.652 1.00 1.56 H new ATOM 0 HE22 GLN A 310 65.336 -4.877 11.941 1.00 1.56 H new ATOM 445 N LYS A 311 65.761 -7.844 4.832 1.00 0.34 N ATOM 446 CA LYS A 311 66.049 -7.494 3.411 1.00 0.34 C ATOM 447 C LYS A 311 65.215 -6.278 3.001 1.00 0.33 C ATOM 448 O LYS A 311 64.010 -6.273 3.138 1.00 0.33 O ATOM 449 CB LYS A 311 65.638 -8.728 2.602 1.00 0.35 C ATOM 450 CG LYS A 311 66.103 -9.997 3.323 1.00 0.60 C ATOM 451 CD LYS A 311 66.485 -11.062 2.294 1.00 1.17 C ATOM 452 CE LYS A 311 67.253 -12.189 2.988 1.00 1.66 C ATOM 453 NZ LYS A 311 66.882 -13.424 2.242 1.00 2.58 N ATOM 0 H LYS A 311 64.876 -8.326 4.989 1.00 0.34 H new ATOM 0 HA LYS A 311 67.096 -7.238 3.248 1.00 0.34 H new ATOM 0 HB2 LYS A 311 64.556 -8.747 2.474 1.00 0.35 H new ATOM 0 HB3 LYS A 311 66.076 -8.683 1.605 1.00 0.35 H new ATOM 0 HG2 LYS A 311 66.957 -9.772 3.962 1.00 0.60 H new ATOM 0 HG3 LYS A 311 65.310 -10.371 3.971 1.00 0.60 H new ATOM 0 HD2 LYS A 311 65.589 -11.459 1.816 1.00 1.17 H new ATOM 0 HD3 LYS A 311 67.097 -10.620 1.508 1.00 1.17 H new ATOM 0 HE2 LYS A 311 68.328 -12.014 2.952 1.00 1.66 H new ATOM 0 HE3 LYS A 311 66.977 -12.265 4.040 1.00 1.66 H new ATOM 0 HZ1 LYS A 311 67.370 -14.242 2.660 1.00 2.58 H new ATOM 0 HZ2 LYS A 311 65.854 -13.568 2.299 1.00 2.58 H new ATOM 0 HZ3 LYS A 311 67.163 -13.325 1.246 1.00 2.58 H new ATOM 467 N PHE A 312 65.841 -5.245 2.507 1.00 0.33 N ATOM 468 CA PHE A 312 65.068 -4.034 2.103 1.00 0.34 C ATOM 469 C PHE A 312 65.313 -3.707 0.628 1.00 0.37 C ATOM 470 O PHE A 312 66.288 -4.133 0.040 1.00 0.51 O ATOM 471 CB PHE A 312 65.598 -2.911 2.994 1.00 0.34 C ATOM 472 CG PHE A 312 64.950 -2.998 4.355 1.00 0.35 C ATOM 473 CD1 PHE A 312 63.560 -3.126 4.461 1.00 1.17 C ATOM 474 CD2 PHE A 312 65.740 -2.952 5.510 1.00 1.31 C ATOM 475 CE1 PHE A 312 62.960 -3.207 5.723 1.00 1.21 C ATOM 476 CE2 PHE A 312 65.140 -3.034 6.771 1.00 1.32 C ATOM 477 CZ PHE A 312 63.750 -3.161 6.878 1.00 0.49 C ATOM 0 H PHE A 312 66.849 -5.186 2.366 1.00 0.33 H new ATOM 0 HA PHE A 312 63.994 -4.178 2.218 1.00 0.34 H new ATOM 0 HB2 PHE A 312 66.681 -2.989 3.090 1.00 0.34 H new ATOM 0 HB3 PHE A 312 65.387 -1.943 2.540 1.00 0.34 H new ATOM 0 HD1 PHE A 312 62.951 -3.162 3.570 1.00 1.17 H new ATOM 0 HD2 PHE A 312 66.812 -2.853 5.427 1.00 1.31 H new ATOM 0 HE1 PHE A 312 61.888 -3.305 5.806 1.00 1.21 H new ATOM 0 HE2 PHE A 312 65.749 -2.999 7.662 1.00 1.32 H new ATOM 0 HZ PHE A 312 63.287 -3.224 7.852 1.00 0.49 H new ATOM 487 N ASN A 313 64.436 -2.949 0.028 1.00 0.39 N ATOM 488 CA ASN A 313 64.619 -2.589 -1.407 1.00 0.44 C ATOM 489 C ASN A 313 65.121 -1.148 -1.529 1.00 0.43 C ATOM 490 O ASN A 313 64.768 -0.288 -0.748 1.00 0.69 O ATOM 491 CB ASN A 313 63.232 -2.731 -2.038 1.00 0.47 C ATOM 492 CG ASN A 313 62.592 -4.045 -1.584 1.00 0.52 C ATOM 493 OD1 ASN A 313 62.462 -4.296 -0.403 1.00 1.01 O ATOM 494 ND2 ASN A 313 62.182 -4.899 -2.482 1.00 1.11 N ATOM 0 H ASN A 313 63.601 -2.564 0.469 1.00 0.39 H new ATOM 0 HA ASN A 313 65.354 -3.225 -1.900 1.00 0.44 H new ATOM 0 HB2 ASN A 313 62.602 -1.890 -1.749 1.00 0.47 H new ATOM 0 HB3 ASN A 313 63.312 -2.711 -3.125 1.00 0.47 H new ATOM 0 HD21 ASN A 313 61.752 -5.777 -2.192 1.00 1.11 H new ATOM 0 HD22 ASN A 313 62.291 -4.688 -3.474 1.00 1.11 H new ATOM 501 N HIS A 314 65.945 -0.881 -2.502 1.00 0.42 N ATOM 502 CA HIS A 314 66.477 0.501 -2.677 1.00 0.48 C ATOM 503 C HIS A 314 65.334 1.494 -2.908 1.00 0.47 C ATOM 504 O HIS A 314 65.474 2.677 -2.672 1.00 0.52 O ATOM 505 CB HIS A 314 67.376 0.425 -3.910 1.00 0.56 C ATOM 506 CG HIS A 314 68.381 -0.678 -3.730 1.00 0.63 C ATOM 507 ND1 HIS A 314 69.079 -1.225 -4.796 1.00 0.80 N ATOM 508 CD2 HIS A 314 68.818 -1.347 -2.614 1.00 0.62 C ATOM 509 CE1 HIS A 314 69.890 -2.178 -4.303 1.00 0.86 C ATOM 510 NE2 HIS A 314 69.771 -2.293 -2.978 1.00 0.75 N ATOM 0 H HIS A 314 66.275 -1.561 -3.187 1.00 0.42 H new ATOM 0 HA HIS A 314 67.017 0.845 -1.795 1.00 0.48 H new ATOM 0 HB2 HIS A 314 66.775 0.242 -4.801 1.00 0.56 H new ATOM 0 HB3 HIS A 314 67.887 1.376 -4.060 1.00 0.56 H new ATOM 0 HD1 HIS A 314 68.993 -0.954 -5.776 1.00 0.80 H new ATOM 0 HD2 HIS A 314 68.474 -1.166 -1.606 1.00 0.62 H new ATOM 0 HE1 HIS A 314 70.556 -2.777 -4.906 1.00 0.86 H new ATOM 518 N SER A 315 64.211 1.029 -3.383 1.00 0.46 N ATOM 519 CA SER A 315 63.072 1.959 -3.640 1.00 0.52 C ATOM 520 C SER A 315 62.097 1.977 -2.457 1.00 0.49 C ATOM 521 O SER A 315 61.025 2.541 -2.539 1.00 0.51 O ATOM 522 CB SER A 315 62.388 1.409 -4.889 1.00 0.61 C ATOM 523 OG SER A 315 62.188 0.010 -4.737 1.00 0.73 O ATOM 0 H SER A 315 64.032 0.049 -3.604 1.00 0.46 H new ATOM 0 HA SER A 315 63.411 2.986 -3.773 1.00 0.52 H new ATOM 0 HB2 SER A 315 61.433 1.910 -5.045 1.00 0.61 H new ATOM 0 HB3 SER A 315 62.999 1.607 -5.770 1.00 0.61 H new ATOM 0 HG SER A 315 61.747 -0.346 -5.537 1.00 0.73 H new ATOM 529 N HIS A 316 62.457 1.373 -1.357 1.00 0.48 N ATOM 530 CA HIS A 316 61.540 1.374 -0.179 1.00 0.52 C ATOM 531 C HIS A 316 62.077 2.332 0.895 1.00 0.50 C ATOM 532 O HIS A 316 63.171 2.841 0.790 1.00 1.09 O ATOM 533 CB HIS A 316 61.507 -0.093 0.300 1.00 0.59 C ATOM 534 CG HIS A 316 62.241 -0.261 1.608 1.00 0.48 C ATOM 535 ND1 HIS A 316 61.643 0.007 2.829 1.00 0.91 N ATOM 536 CD2 HIS A 316 63.519 -0.671 1.899 1.00 1.50 C ATOM 537 CE1 HIS A 316 62.552 -0.242 3.789 1.00 0.75 C ATOM 538 NE2 HIS A 316 63.713 -0.659 3.277 1.00 1.49 N ATOM 0 H HIS A 316 63.341 0.881 -1.222 1.00 0.48 H new ATOM 0 HA HIS A 316 60.535 1.723 -0.414 1.00 0.52 H new ATOM 0 HB2 HIS A 316 60.473 -0.416 0.417 1.00 0.59 H new ATOM 0 HB3 HIS A 316 61.958 -0.735 -0.457 1.00 0.59 H new ATOM 0 HD2 HIS A 316 64.261 -0.959 1.169 1.00 1.50 H new ATOM 0 HE1 HIS A 316 62.366 -0.120 4.846 1.00 0.75 H new ATOM 0 HE2 HIS A 316 64.559 -0.914 3.786 1.00 1.49 H new ATOM 546 N ARG A 317 61.319 2.583 1.924 1.00 0.64 N ATOM 547 CA ARG A 317 61.803 3.510 2.987 1.00 0.54 C ATOM 548 C ARG A 317 62.109 2.736 4.271 1.00 0.49 C ATOM 549 O ARG A 317 61.340 1.899 4.700 1.00 0.51 O ATOM 550 CB ARG A 317 60.651 4.491 3.213 1.00 0.61 C ATOM 551 CG ARG A 317 59.537 3.795 3.998 1.00 0.79 C ATOM 552 CD ARG A 317 58.353 4.748 4.168 1.00 0.93 C ATOM 553 NE ARG A 317 57.220 4.076 3.475 1.00 1.15 N ATOM 554 CZ ARG A 317 55.990 4.392 3.777 1.00 1.48 C ATOM 555 NH1 ARG A 317 55.632 4.494 5.027 1.00 2.27 N ATOM 556 NH2 ARG A 317 55.120 4.604 2.828 1.00 1.99 N ATOM 0 H ARG A 317 60.390 2.190 2.076 1.00 0.64 H new ATOM 0 HA ARG A 317 62.723 4.020 2.700 1.00 0.54 H new ATOM 0 HB2 ARG A 317 61.005 5.365 3.760 1.00 0.61 H new ATOM 0 HB3 ARG A 317 60.269 4.847 2.256 1.00 0.61 H new ATOM 0 HG2 ARG A 317 59.218 2.894 3.474 1.00 0.79 H new ATOM 0 HG3 ARG A 317 59.908 3.482 4.974 1.00 0.79 H new ATOM 0 HD2 ARG A 317 58.129 4.916 5.221 1.00 0.93 H new ATOM 0 HD3 ARG A 317 58.564 5.723 3.728 1.00 0.93 H new ATOM 0 HE ARG A 317 57.405 3.368 2.764 1.00 1.15 H new ATOM 0 HH11 ARG A 317 56.313 4.327 5.768 1.00 2.27 H new ATOM 0 HH12 ARG A 317 54.671 4.741 5.264 1.00 2.27 H new ATOM 0 HH21 ARG A 317 55.401 4.523 1.851 1.00 1.99 H new ATOM 0 HH22 ARG A 317 54.159 4.851 3.063 1.00 1.99 H new ATOM 570 N ILE A 318 63.222 3.013 4.893 1.00 0.52 N ATOM 571 CA ILE A 318 63.564 2.295 6.153 1.00 0.60 C ATOM 572 C ILE A 318 62.359 2.310 7.093 1.00 0.63 C ATOM 573 O ILE A 318 62.222 1.466 7.956 1.00 0.79 O ATOM 574 CB ILE A 318 64.732 3.071 6.759 1.00 0.63 C ATOM 575 CG1 ILE A 318 65.986 2.841 5.910 1.00 0.61 C ATOM 576 CG2 ILE A 318 64.983 2.583 8.189 1.00 0.67 C ATOM 577 CD1 ILE A 318 66.537 1.436 6.170 1.00 0.53 C ATOM 0 H ILE A 318 63.907 3.703 4.585 1.00 0.52 H new ATOM 0 HA ILE A 318 63.828 1.252 5.980 1.00 0.60 H new ATOM 0 HB ILE A 318 64.495 4.135 6.778 1.00 0.63 H new ATOM 0 HG12 ILE A 318 65.747 2.958 4.853 1.00 0.61 H new ATOM 0 HG13 ILE A 318 66.742 3.589 6.151 1.00 0.61 H new ATOM 0 HG21 ILE A 318 65.816 3.137 8.621 1.00 0.67 H new ATOM 0 HG22 ILE A 318 64.089 2.745 8.791 1.00 0.67 H new ATOM 0 HG23 ILE A 318 65.223 1.520 8.174 1.00 0.67 H new ATOM 0 HD11 ILE A 318 67.429 1.277 5.564 1.00 0.53 H new ATOM 0 HD12 ILE A 318 66.792 1.335 7.225 1.00 0.53 H new ATOM 0 HD13 ILE A 318 65.782 0.695 5.907 1.00 0.53 H new ATOM 589 N SER A 319 61.475 3.258 6.925 1.00 0.62 N ATOM 590 CA SER A 319 60.275 3.309 7.804 1.00 0.80 C ATOM 591 C SER A 319 59.593 1.942 7.788 1.00 0.81 C ATOM 592 O SER A 319 58.987 1.523 8.753 1.00 0.98 O ATOM 593 CB SER A 319 59.372 4.376 7.187 1.00 0.87 C ATOM 594 OG SER A 319 59.127 5.396 8.146 1.00 1.66 O ATOM 0 H SER A 319 61.533 3.994 6.221 1.00 0.62 H new ATOM 0 HA SER A 319 60.513 3.547 8.841 1.00 0.80 H new ATOM 0 HB2 SER A 319 59.844 4.800 6.301 1.00 0.87 H new ATOM 0 HB3 SER A 319 58.431 3.930 6.865 1.00 0.87 H new ATOM 0 HG SER A 319 58.549 6.083 7.753 1.00 1.66 H new ATOM 600 N ASP A 320 59.711 1.235 6.697 1.00 0.68 N ATOM 601 CA ASP A 320 59.097 -0.118 6.612 1.00 0.73 C ATOM 602 C ASP A 320 59.646 -0.990 7.742 1.00 0.70 C ATOM 603 O ASP A 320 58.989 -1.881 8.234 1.00 0.75 O ATOM 604 CB ASP A 320 59.519 -0.666 5.249 1.00 0.74 C ATOM 605 CG ASP A 320 58.305 -1.275 4.546 1.00 1.22 C ATOM 606 OD1 ASP A 320 58.032 -2.440 4.781 1.00 1.88 O ATOM 607 OD2 ASP A 320 57.668 -0.565 3.785 1.00 1.86 O ATOM 0 H ASP A 320 60.208 1.538 5.859 1.00 0.68 H new ATOM 0 HA ASP A 320 58.012 -0.098 6.711 1.00 0.73 H new ATOM 0 HB2 ASP A 320 59.943 0.132 4.640 1.00 0.74 H new ATOM 0 HB3 ASP A 320 60.297 -1.420 5.373 1.00 0.74 H new ATOM 612 N ILE A 321 60.853 -0.737 8.157 1.00 0.65 N ATOM 613 CA ILE A 321 61.443 -1.544 9.258 1.00 0.64 C ATOM 614 C ILE A 321 60.557 -1.451 10.507 1.00 0.70 C ATOM 615 O ILE A 321 60.413 -2.403 11.249 1.00 0.74 O ATOM 616 CB ILE A 321 62.822 -0.923 9.508 1.00 0.63 C ATOM 617 CG1 ILE A 321 63.709 -1.933 10.239 1.00 1.31 C ATOM 618 CG2 ILE A 321 62.682 0.341 10.361 1.00 1.37 C ATOM 619 CD1 ILE A 321 65.069 -1.298 10.534 1.00 1.97 C ATOM 0 H ILE A 321 61.457 -0.006 7.782 1.00 0.65 H new ATOM 0 HA ILE A 321 61.521 -2.602 9.009 1.00 0.64 H new ATOM 0 HB ILE A 321 63.273 -0.660 8.551 1.00 0.63 H new ATOM 0 HG12 ILE A 321 63.233 -2.246 11.168 1.00 1.31 H new ATOM 0 HG13 ILE A 321 63.838 -2.828 9.630 1.00 1.31 H new ATOM 0 HG21 ILE A 321 63.667 0.775 10.533 1.00 1.37 H new ATOM 0 HG22 ILE A 321 62.053 1.063 9.840 1.00 1.37 H new ATOM 0 HG23 ILE A 321 62.226 0.086 11.317 1.00 1.37 H new ATOM 0 HD11 ILE A 321 65.701 -2.017 11.055 1.00 1.97 H new ATOM 0 HD12 ILE A 321 65.546 -1.007 9.598 1.00 1.97 H new ATOM 0 HD13 ILE A 321 64.931 -0.416 11.160 1.00 1.97 H new ATOM 631 N ARG A 322 59.968 -0.307 10.750 1.00 0.74 N ATOM 632 CA ARG A 322 59.100 -0.155 11.955 1.00 0.84 C ATOM 633 C ARG A 322 58.035 -1.255 11.997 1.00 0.85 C ATOM 634 O ARG A 322 57.905 -1.960 12.977 1.00 0.92 O ATOM 635 CB ARG A 322 58.447 1.220 11.807 1.00 0.93 C ATOM 636 CG ARG A 322 59.027 2.176 12.853 1.00 0.99 C ATOM 637 CD ARG A 322 57.951 2.515 13.888 1.00 1.07 C ATOM 638 NE ARG A 322 58.631 3.401 14.874 1.00 1.49 N ATOM 639 CZ ARG A 322 57.934 4.005 15.797 1.00 1.78 C ATOM 640 NH1 ARG A 322 57.124 3.320 16.556 1.00 2.14 N ATOM 641 NH2 ARG A 322 58.047 5.295 15.961 1.00 2.49 N ATOM 0 H ARG A 322 60.051 0.526 10.167 1.00 0.74 H new ATOM 0 HA ARG A 322 59.671 -0.238 12.880 1.00 0.84 H new ATOM 0 HB2 ARG A 322 58.622 1.611 10.805 1.00 0.93 H new ATOM 0 HB3 ARG A 322 57.368 1.137 11.933 1.00 0.93 H new ATOM 0 HG2 ARG A 322 59.886 1.718 13.343 1.00 0.99 H new ATOM 0 HG3 ARG A 322 59.383 3.087 12.371 1.00 0.99 H new ATOM 0 HD2 ARG A 322 57.102 3.018 13.425 1.00 1.07 H new ATOM 0 HD3 ARG A 322 57.566 1.615 14.366 1.00 1.07 H new ATOM 0 HE ARG A 322 59.641 3.535 14.828 1.00 1.49 H new ATOM 0 HH11 ARG A 322 57.035 2.312 16.428 1.00 2.14 H new ATOM 0 HH12 ARG A 322 56.579 3.792 17.277 1.00 2.14 H new ATOM 0 HH21 ARG A 322 58.680 5.831 15.368 1.00 2.49 H new ATOM 0 HH22 ARG A 322 57.502 5.767 16.683 1.00 2.49 H new ATOM 655 N LEU A 323 57.274 -1.422 10.946 1.00 0.81 N ATOM 656 CA LEU A 323 56.234 -2.505 10.975 1.00 0.86 C ATOM 657 C LEU A 323 56.926 -3.864 11.072 1.00 0.75 C ATOM 658 O LEU A 323 56.527 -4.720 11.837 1.00 0.75 O ATOM 659 CB LEU A 323 55.377 -2.440 9.686 1.00 0.95 C ATOM 660 CG LEU A 323 55.965 -1.507 8.626 1.00 1.48 C ATOM 661 CD1 LEU A 323 55.401 -1.880 7.254 1.00 2.23 C ATOM 662 CD2 LEU A 323 55.586 -0.060 8.949 1.00 2.20 C ATOM 0 H LEU A 323 57.321 -0.873 10.087 1.00 0.81 H new ATOM 0 HA LEU A 323 55.584 -2.367 11.839 1.00 0.86 H new ATOM 0 HB2 LEU A 323 55.282 -3.442 9.268 1.00 0.95 H new ATOM 0 HB3 LEU A 323 54.372 -2.104 9.941 1.00 0.95 H new ATOM 0 HG LEU A 323 57.050 -1.607 8.618 1.00 1.48 H new ATOM 0 HD11 LEU A 323 55.818 -1.217 6.496 1.00 2.23 H new ATOM 0 HD12 LEU A 323 55.666 -2.911 7.020 1.00 2.23 H new ATOM 0 HD13 LEU A 323 54.316 -1.779 7.267 1.00 2.23 H new ATOM 0 HD21 LEU A 323 56.006 0.603 8.193 1.00 2.20 H new ATOM 0 HD22 LEU A 323 54.501 0.039 8.956 1.00 2.20 H new ATOM 0 HD23 LEU A 323 55.981 0.210 9.928 1.00 2.20 H new ATOM 674 N PHE A 324 57.970 -4.069 10.314 1.00 0.69 N ATOM 675 CA PHE A 324 58.686 -5.374 10.385 1.00 0.64 C ATOM 676 C PHE A 324 59.122 -5.635 11.826 1.00 0.63 C ATOM 677 O PHE A 324 58.818 -6.660 12.403 1.00 0.64 O ATOM 678 CB PHE A 324 59.907 -5.218 9.478 1.00 0.65 C ATOM 679 CG PHE A 324 60.608 -6.550 9.349 1.00 0.58 C ATOM 680 CD1 PHE A 324 61.222 -7.132 10.465 1.00 1.33 C ATOM 681 CD2 PHE A 324 60.640 -7.205 8.113 1.00 1.31 C ATOM 682 CE1 PHE A 324 61.868 -8.368 10.343 1.00 1.39 C ATOM 683 CE2 PHE A 324 61.286 -8.441 7.991 1.00 1.28 C ATOM 684 CZ PHE A 324 61.900 -9.023 9.106 1.00 0.65 C ATOM 0 H PHE A 324 58.355 -3.394 9.653 1.00 0.69 H new ATOM 0 HA PHE A 324 58.061 -6.210 10.072 1.00 0.64 H new ATOM 0 HB2 PHE A 324 59.601 -4.859 8.495 1.00 0.65 H new ATOM 0 HB3 PHE A 324 60.588 -4.474 9.891 1.00 0.65 H new ATOM 0 HD1 PHE A 324 61.197 -6.627 11.420 1.00 1.33 H new ATOM 0 HD2 PHE A 324 60.166 -6.757 7.252 1.00 1.31 H new ATOM 0 HE1 PHE A 324 62.342 -8.817 11.204 1.00 1.39 H new ATOM 0 HE2 PHE A 324 61.311 -8.945 7.036 1.00 1.28 H new ATOM 0 HZ PHE A 324 62.398 -9.977 9.012 1.00 0.65 H new ATOM 694 N ILE A 325 59.826 -4.707 12.415 1.00 0.70 N ATOM 695 CA ILE A 325 60.271 -4.894 13.822 1.00 0.82 C ATOM 696 C ILE A 325 59.049 -5.158 14.708 1.00 0.87 C ATOM 697 O ILE A 325 59.021 -6.098 15.477 1.00 0.90 O ATOM 698 CB ILE A 325 60.963 -3.572 14.195 1.00 0.95 C ATOM 699 CG1 ILE A 325 62.459 -3.671 13.878 1.00 1.05 C ATOM 700 CG2 ILE A 325 60.791 -3.281 15.691 1.00 1.12 C ATOM 701 CD1 ILE A 325 62.655 -4.276 12.486 1.00 1.15 C ATOM 0 H ILE A 325 60.111 -3.829 11.982 1.00 0.70 H new ATOM 0 HA ILE A 325 60.945 -5.741 13.952 1.00 0.82 H new ATOM 0 HB ILE A 325 60.509 -2.767 13.618 1.00 0.95 H new ATOM 0 HG12 ILE A 325 62.916 -2.682 13.922 1.00 1.05 H new ATOM 0 HG13 ILE A 325 62.959 -4.287 14.626 1.00 1.05 H new ATOM 0 HG21 ILE A 325 61.286 -2.342 15.938 1.00 1.12 H new ATOM 0 HG22 ILE A 325 59.730 -3.204 15.927 1.00 1.12 H new ATOM 0 HG23 ILE A 325 61.234 -4.089 16.272 1.00 1.12 H new ATOM 0 HD11 ILE A 325 63.720 -4.344 12.266 1.00 1.15 H new ATOM 0 HD12 ILE A 325 62.214 -5.272 12.457 1.00 1.15 H new ATOM 0 HD13 ILE A 325 62.170 -3.643 11.743 1.00 1.15 H new ATOM 713 N VAL A 326 58.036 -4.341 14.598 1.00 0.96 N ATOM 714 CA VAL A 326 56.821 -4.549 15.436 1.00 1.09 C ATOM 715 C VAL A 326 56.312 -5.980 15.264 1.00 0.93 C ATOM 716 O VAL A 326 55.869 -6.607 16.206 1.00 0.96 O ATOM 717 CB VAL A 326 55.797 -3.543 14.909 1.00 1.36 C ATOM 718 CG1 VAL A 326 54.410 -3.895 15.450 1.00 1.56 C ATOM 719 CG2 VAL A 326 56.181 -2.136 15.374 1.00 1.60 C ATOM 0 H VAL A 326 57.998 -3.541 13.966 1.00 0.96 H new ATOM 0 HA VAL A 326 57.016 -4.404 16.499 1.00 1.09 H new ATOM 0 HB VAL A 326 55.782 -3.577 13.820 1.00 1.36 H new ATOM 0 HG11 VAL A 326 53.680 -3.178 15.074 1.00 1.56 H new ATOM 0 HG12 VAL A 326 54.135 -4.898 15.122 1.00 1.56 H new ATOM 0 HG13 VAL A 326 54.425 -3.861 16.539 1.00 1.56 H new ATOM 0 HG21 VAL A 326 55.452 -1.417 14.999 1.00 1.60 H new ATOM 0 HG22 VAL A 326 56.195 -2.104 16.463 1.00 1.60 H new ATOM 0 HG23 VAL A 326 57.170 -1.883 14.991 1.00 1.60 H new ATOM 729 N ASP A 327 56.390 -6.513 14.076 1.00 0.88 N ATOM 730 CA ASP A 327 55.929 -7.913 13.865 1.00 0.91 C ATOM 731 C ASP A 327 56.779 -8.850 14.724 1.00 0.85 C ATOM 732 O ASP A 327 56.272 -9.666 15.467 1.00 1.06 O ATOM 733 CB ASP A 327 56.152 -8.189 12.377 1.00 0.97 C ATOM 734 CG ASP A 327 54.970 -8.986 11.823 1.00 1.13 C ATOM 735 OD1 ASP A 327 53.845 -8.563 12.033 1.00 1.49 O ATOM 736 OD2 ASP A 327 55.209 -10.006 11.199 1.00 1.69 O ATOM 0 H ASP A 327 56.751 -6.042 13.246 1.00 0.88 H new ATOM 0 HA ASP A 327 54.886 -8.065 14.143 1.00 0.91 H new ATOM 0 HB2 ASP A 327 56.257 -7.250 11.834 1.00 0.97 H new ATOM 0 HB3 ASP A 327 57.078 -8.745 12.234 1.00 0.97 H new ATOM 741 N ALA A 328 58.075 -8.718 14.638 1.00 0.82 N ATOM 742 CA ALA A 328 58.976 -9.574 15.459 1.00 1.08 C ATOM 743 C ALA A 328 59.595 -8.725 16.573 1.00 1.22 C ATOM 744 O ALA A 328 60.798 -8.648 16.720 1.00 1.94 O ATOM 745 CB ALA A 328 60.051 -10.069 14.490 1.00 1.38 C ATOM 0 H ALA A 328 58.550 -8.050 14.031 1.00 0.82 H new ATOM 0 HA ALA A 328 58.457 -10.407 15.932 1.00 1.08 H new ATOM 0 HB1 ALA A 328 60.755 -10.708 15.023 1.00 1.38 H new ATOM 0 HB2 ALA A 328 59.583 -10.636 13.686 1.00 1.38 H new ATOM 0 HB3 ALA A 328 60.583 -9.215 14.070 1.00 1.38 H new ATOM 751 N ARG A 329 58.767 -8.077 17.351 1.00 0.94 N ATOM 752 CA ARG A 329 59.276 -7.212 18.456 1.00 1.24 C ATOM 753 C ARG A 329 58.817 -7.761 19.830 1.00 1.08 C ATOM 754 O ARG A 329 58.465 -7.015 20.716 1.00 1.27 O ATOM 755 CB ARG A 329 58.657 -5.837 18.119 1.00 1.65 C ATOM 756 CG ARG A 329 58.578 -4.913 19.339 1.00 2.20 C ATOM 757 CD ARG A 329 59.929 -4.865 20.046 1.00 2.63 C ATOM 758 NE ARG A 329 60.632 -3.699 19.439 1.00 3.69 N ATOM 759 CZ ARG A 329 60.298 -2.484 19.778 1.00 4.29 C ATOM 760 NH1 ARG A 329 59.209 -2.271 20.466 1.00 4.82 N ATOM 761 NH2 ARG A 329 61.055 -1.479 19.430 1.00 4.78 N ATOM 0 H ARG A 329 57.751 -8.111 17.267 1.00 0.94 H new ATOM 0 HA ARG A 329 60.362 -7.166 18.531 1.00 1.24 H new ATOM 0 HB2 ARG A 329 59.250 -5.356 17.341 1.00 1.65 H new ATOM 0 HB3 ARG A 329 57.656 -5.983 17.712 1.00 1.65 H new ATOM 0 HG2 ARG A 329 58.286 -3.910 19.028 1.00 2.20 H new ATOM 0 HG3 ARG A 329 57.811 -5.270 20.027 1.00 2.20 H new ATOM 0 HD2 ARG A 329 59.809 -4.739 21.122 1.00 2.63 H new ATOM 0 HD3 ARG A 329 60.489 -5.788 19.894 1.00 2.63 H new ATOM 0 HE ARG A 329 61.375 -3.851 18.757 1.00 3.69 H new ATOM 0 HH11 ARG A 329 58.617 -3.055 20.740 1.00 4.82 H new ATOM 0 HH12 ARG A 329 58.950 -1.320 20.730 1.00 4.82 H new ATOM 0 HH21 ARG A 329 61.907 -1.644 18.894 1.00 4.78 H new ATOM 0 HH22 ARG A 329 60.795 -0.529 19.695 1.00 4.78 H new ATOM 775 N PRO A 330 58.846 -9.067 19.974 1.00 0.99 N ATOM 776 CA PRO A 330 58.430 -9.689 21.257 1.00 1.16 C ATOM 777 C PRO A 330 59.497 -9.469 22.334 1.00 1.22 C ATOM 778 O PRO A 330 59.194 -9.129 23.461 1.00 1.32 O ATOM 779 CB PRO A 330 58.306 -11.170 20.916 1.00 1.47 C ATOM 780 CG PRO A 330 59.209 -11.376 19.743 1.00 1.45 C ATOM 781 CD PRO A 330 59.259 -10.074 18.987 1.00 1.12 C ATOM 0 HA PRO A 330 57.506 -9.267 21.654 1.00 1.16 H new ATOM 0 HB2 PRO A 330 58.604 -11.795 21.758 1.00 1.47 H new ATOM 0 HB3 PRO A 330 57.277 -11.434 20.672 1.00 1.47 H new ATOM 0 HG2 PRO A 330 60.206 -11.669 20.072 1.00 1.45 H new ATOM 0 HG3 PRO A 330 58.835 -12.177 19.105 1.00 1.45 H new ATOM 0 HD2 PRO A 330 60.261 -9.872 18.608 1.00 1.12 H new ATOM 0 HD3 PRO A 330 58.589 -10.087 18.127 1.00 1.12 H new ATOM 789 N ALA A 331 60.744 -9.665 22.000 1.00 1.28 N ATOM 790 CA ALA A 331 61.828 -9.470 23.008 1.00 1.51 C ATOM 791 C ALA A 331 62.357 -8.035 22.947 1.00 1.57 C ATOM 792 O ALA A 331 62.650 -7.426 23.956 1.00 1.79 O ATOM 793 CB ALA A 331 62.921 -10.462 22.608 1.00 1.58 C ATOM 0 H ALA A 331 61.060 -9.952 21.073 1.00 1.28 H new ATOM 0 HA ALA A 331 61.479 -9.635 24.027 1.00 1.51 H new ATOM 0 HB1 ALA A 331 63.757 -10.381 23.302 1.00 1.58 H new ATOM 0 HB2 ALA A 331 62.521 -11.476 22.638 1.00 1.58 H new ATOM 0 HB3 ALA A 331 63.265 -10.237 21.598 1.00 1.58 H new ATOM 799 N MET A 332 62.480 -7.494 21.768 1.00 1.47 N ATOM 800 CA MET A 332 62.987 -6.099 21.630 1.00 1.67 C ATOM 801 C MET A 332 62.078 -5.122 22.385 1.00 1.59 C ATOM 802 O MET A 332 62.439 -3.983 22.601 1.00 1.93 O ATOM 803 CB MET A 332 62.959 -5.813 20.128 1.00 1.72 C ATOM 804 CG MET A 332 64.369 -5.468 19.646 1.00 2.06 C ATOM 805 SD MET A 332 65.029 -6.844 18.672 1.00 2.10 S ATOM 806 CE MET A 332 64.907 -8.110 19.959 1.00 1.88 C ATOM 0 H MET A 332 62.250 -7.959 20.890 1.00 1.47 H new ATOM 0 HA MET A 332 63.987 -5.982 22.048 1.00 1.67 H new ATOM 0 HB2 MET A 332 62.582 -6.682 19.589 1.00 1.72 H new ATOM 0 HB3 MET A 332 62.279 -4.987 19.917 1.00 1.72 H new ATOM 0 HG2 MET A 332 64.347 -4.560 19.043 1.00 2.06 H new ATOM 0 HG3 MET A 332 65.018 -5.269 20.499 1.00 2.06 H new ATOM 0 HE1 MET A 332 65.609 -8.916 19.745 1.00 1.88 H new ATOM 0 HE2 MET A 332 65.145 -7.669 20.927 1.00 1.88 H new ATOM 0 HE3 MET A 332 63.893 -8.509 19.982 1.00 1.88 H new ATOM 816 N ALA A 333 60.900 -5.570 22.763 1.00 1.29 N ATOM 817 CA ALA A 333 59.917 -4.699 23.498 1.00 1.32 C ATOM 818 C ALA A 333 60.598 -3.494 24.156 1.00 1.29 C ATOM 819 O ALA A 333 60.166 -2.368 24.006 1.00 1.38 O ATOM 820 CB ALA A 333 59.313 -5.610 24.566 1.00 1.19 C ATOM 0 H ALA A 333 60.572 -6.520 22.590 1.00 1.29 H new ATOM 0 HA ALA A 333 59.171 -4.286 22.819 1.00 1.32 H new ATOM 0 HB1 ALA A 333 58.582 -5.051 25.150 1.00 1.19 H new ATOM 0 HB2 ALA A 333 58.823 -6.457 24.087 1.00 1.19 H new ATOM 0 HB3 ALA A 333 60.103 -5.973 25.224 1.00 1.19 H new ATOM 826 N ALA A 334 61.660 -3.718 24.878 1.00 1.74 N ATOM 827 CA ALA A 334 62.364 -2.580 25.537 1.00 2.31 C ATOM 828 C ALA A 334 63.878 -2.803 25.493 1.00 1.95 C ATOM 829 O ALA A 334 64.535 -2.873 26.512 1.00 2.26 O ATOM 830 CB ALA A 334 61.862 -2.583 26.981 1.00 2.93 C ATOM 0 H ALA A 334 62.071 -4.637 25.041 1.00 1.74 H new ATOM 0 HA ALA A 334 62.167 -1.629 25.042 1.00 2.31 H new ATOM 0 HB1 ALA A 334 62.336 -1.771 27.533 1.00 2.93 H new ATOM 0 HB2 ALA A 334 60.781 -2.445 26.991 1.00 2.93 H new ATOM 0 HB3 ALA A 334 62.111 -3.535 27.451 1.00 2.93 H new ATOM 836 N THR A 335 64.436 -2.919 24.318 1.00 1.43 N ATOM 837 CA THR A 335 65.906 -3.143 24.212 1.00 1.16 C ATOM 838 C THR A 335 66.569 -1.978 23.459 1.00 1.04 C ATOM 839 O THR A 335 66.136 -1.591 22.392 1.00 1.08 O ATOM 840 CB THR A 335 66.043 -4.479 23.453 1.00 0.82 C ATOM 841 OG1 THR A 335 66.955 -5.318 24.147 1.00 1.12 O ATOM 842 CG2 THR A 335 66.553 -4.258 22.021 1.00 0.68 C ATOM 0 H THR A 335 63.939 -2.868 23.429 1.00 1.43 H new ATOM 0 HA THR A 335 66.402 -3.188 25.182 1.00 1.16 H new ATOM 0 HB THR A 335 65.059 -4.945 23.399 1.00 0.82 H new ATOM 0 HG1 THR A 335 67.044 -6.169 23.670 1.00 1.12 H new ATOM 0 HG21 THR A 335 66.639 -5.219 21.513 1.00 0.68 H new ATOM 0 HG22 THR A 335 65.853 -3.622 21.479 1.00 0.68 H new ATOM 0 HG23 THR A 335 67.530 -3.776 22.053 1.00 0.68 H new ATOM 850 N SER A 336 67.619 -1.427 24.004 1.00 1.02 N ATOM 851 CA SER A 336 68.312 -0.299 23.316 1.00 0.93 C ATOM 852 C SER A 336 69.119 -0.836 22.132 1.00 0.88 C ATOM 853 O SER A 336 70.101 -1.530 22.302 1.00 0.87 O ATOM 854 CB SER A 336 69.239 0.300 24.372 1.00 0.92 C ATOM 855 OG SER A 336 69.025 1.703 24.442 1.00 1.32 O ATOM 0 H SER A 336 68.027 -1.708 24.895 1.00 1.02 H new ATOM 0 HA SER A 336 67.617 0.443 22.923 1.00 0.93 H new ATOM 0 HB2 SER A 336 69.048 -0.158 25.343 1.00 0.92 H new ATOM 0 HB3 SER A 336 70.279 0.091 24.121 1.00 0.92 H new ATOM 0 HG SER A 336 69.617 2.091 25.120 1.00 1.32 H new ATOM 861 N PHE A 337 68.708 -0.532 20.932 1.00 0.87 N ATOM 862 CA PHE A 337 69.456 -1.047 19.745 1.00 0.85 C ATOM 863 C PHE A 337 69.810 0.071 18.761 1.00 0.88 C ATOM 864 O PHE A 337 69.327 1.181 18.853 1.00 0.98 O ATOM 865 CB PHE A 337 68.529 -2.084 19.100 1.00 0.80 C ATOM 866 CG PHE A 337 67.520 -1.442 18.163 1.00 0.83 C ATOM 867 CD1 PHE A 337 67.062 -0.132 18.374 1.00 1.65 C ATOM 868 CD2 PHE A 337 67.031 -2.181 17.077 1.00 1.28 C ATOM 869 CE1 PHE A 337 66.122 0.431 17.502 1.00 1.74 C ATOM 870 CE2 PHE A 337 66.093 -1.615 16.206 1.00 1.25 C ATOM 871 CZ PHE A 337 65.639 -0.310 16.418 1.00 0.95 C ATOM 0 H PHE A 337 67.894 0.045 20.720 1.00 0.87 H new ATOM 0 HA PHE A 337 70.411 -1.483 20.039 1.00 0.85 H new ATOM 0 HB2 PHE A 337 69.126 -2.810 18.548 1.00 0.80 H new ATOM 0 HB3 PHE A 337 68.001 -2.633 19.880 1.00 0.80 H new ATOM 0 HD1 PHE A 337 67.435 0.442 19.209 1.00 1.65 H new ATOM 0 HD2 PHE A 337 67.379 -3.190 16.912 1.00 1.28 H new ATOM 0 HE1 PHE A 337 65.769 1.438 17.666 1.00 1.74 H new ATOM 0 HE2 PHE A 337 65.720 -2.187 15.369 1.00 1.25 H new ATOM 0 HZ PHE A 337 64.916 0.126 15.745 1.00 0.95 H new ATOM 881 N VAL A 338 70.667 -0.225 17.820 1.00 0.82 N ATOM 882 CA VAL A 338 71.074 0.803 16.822 1.00 0.87 C ATOM 883 C VAL A 338 71.438 0.130 15.495 1.00 0.63 C ATOM 884 O VAL A 338 71.832 -1.018 15.458 1.00 0.58 O ATOM 885 CB VAL A 338 72.301 1.480 17.435 1.00 1.09 C ATOM 886 CG1 VAL A 338 72.028 1.799 18.906 1.00 1.26 C ATOM 887 CG2 VAL A 338 73.506 0.539 17.336 1.00 1.16 C ATOM 0 H VAL A 338 71.104 -1.139 17.701 1.00 0.82 H new ATOM 0 HA VAL A 338 70.278 1.516 16.610 1.00 0.87 H new ATOM 0 HB VAL A 338 72.512 2.403 16.895 1.00 1.09 H new ATOM 0 HG11 VAL A 338 72.903 2.281 19.342 1.00 1.26 H new ATOM 0 HG12 VAL A 338 71.170 2.467 18.980 1.00 1.26 H new ATOM 0 HG13 VAL A 338 71.816 0.876 19.445 1.00 1.26 H new ATOM 0 HG21 VAL A 338 74.381 1.021 17.773 1.00 1.16 H new ATOM 0 HG22 VAL A 338 73.293 -0.384 17.876 1.00 1.16 H new ATOM 0 HG23 VAL A 338 73.703 0.309 16.289 1.00 1.16 H new ATOM 897 N LEU A 339 71.315 0.838 14.406 1.00 0.68 N ATOM 898 CA LEU A 339 71.660 0.239 13.085 1.00 0.61 C ATOM 899 C LEU A 339 72.715 1.100 12.387 1.00 0.51 C ATOM 900 O LEU A 339 72.581 2.304 12.292 1.00 0.54 O ATOM 901 CB LEU A 339 70.349 0.234 12.296 1.00 0.90 C ATOM 902 CG LEU A 339 70.641 0.073 10.801 1.00 0.93 C ATOM 903 CD1 LEU A 339 71.688 -1.023 10.592 1.00 1.23 C ATOM 904 CD2 LEU A 339 69.351 -0.314 10.073 1.00 1.85 C ATOM 0 H LEU A 339 70.991 1.805 14.373 1.00 0.68 H new ATOM 0 HA LEU A 339 72.076 -0.764 13.175 1.00 0.61 H new ATOM 0 HB2 LEU A 339 69.710 -0.579 12.640 1.00 0.90 H new ATOM 0 HB3 LEU A 339 69.805 1.162 12.471 1.00 0.90 H new ATOM 0 HG LEU A 339 71.021 1.014 10.404 1.00 0.93 H new ATOM 0 HD11 LEU A 339 71.892 -1.133 9.527 1.00 1.23 H new ATOM 0 HD12 LEU A 339 72.607 -0.752 11.111 1.00 1.23 H new ATOM 0 HD13 LEU A 339 71.312 -1.966 10.989 1.00 1.23 H new ATOM 0 HD21 LEU A 339 69.555 -0.430 9.008 1.00 1.85 H new ATOM 0 HD22 LEU A 339 68.975 -1.255 10.475 1.00 1.85 H new ATOM 0 HD23 LEU A 339 68.604 0.467 10.217 1.00 1.85 H new ATOM 916 N MET A 340 73.767 0.497 11.905 1.00 0.50 N ATOM 917 CA MET A 340 74.828 1.292 11.224 1.00 0.52 C ATOM 918 C MET A 340 75.485 0.470 10.112 1.00 0.53 C ATOM 919 O MET A 340 75.459 -0.744 10.122 1.00 0.54 O ATOM 920 CB MET A 340 75.843 1.609 12.326 1.00 0.61 C ATOM 921 CG MET A 340 77.163 2.069 11.700 1.00 1.33 C ATOM 922 SD MET A 340 78.446 2.127 12.976 1.00 1.37 S ATOM 923 CE MET A 340 77.775 3.524 13.909 1.00 2.13 C ATOM 0 H MET A 340 73.938 -0.508 11.953 1.00 0.50 H new ATOM 0 HA MET A 340 74.432 2.192 10.755 1.00 0.52 H new ATOM 0 HB2 MET A 340 75.451 2.386 12.982 1.00 0.61 H new ATOM 0 HB3 MET A 340 76.011 0.726 12.943 1.00 0.61 H new ATOM 0 HG2 MET A 340 77.458 1.386 10.903 1.00 1.33 H new ATOM 0 HG3 MET A 340 77.040 3.053 11.247 1.00 1.33 H new ATOM 0 HE1 MET A 340 78.566 3.975 14.508 1.00 2.13 H new ATOM 0 HE2 MET A 340 77.376 4.266 13.217 1.00 2.13 H new ATOM 0 HE3 MET A 340 76.978 3.174 14.565 1.00 2.13 H new ATOM 933 N THR A 341 76.087 1.130 9.162 1.00 0.57 N ATOM 934 CA THR A 341 76.765 0.397 8.055 1.00 0.62 C ATOM 935 C THR A 341 78.270 0.334 8.335 1.00 0.65 C ATOM 936 O THR A 341 78.813 1.167 9.033 1.00 0.67 O ATOM 937 CB THR A 341 76.466 1.203 6.787 1.00 0.65 C ATOM 938 OG1 THR A 341 77.068 0.563 5.671 1.00 0.62 O ATOM 939 CG2 THR A 341 77.022 2.621 6.921 1.00 0.77 C ATOM 0 H THR A 341 76.139 2.147 9.104 1.00 0.57 H new ATOM 0 HA THR A 341 76.415 -0.630 7.952 1.00 0.62 H new ATOM 0 HB THR A 341 75.387 1.257 6.645 1.00 0.65 H new ATOM 0 HG1 THR A 341 77.149 1.202 4.932 1.00 0.62 H new ATOM 0 HG21 THR A 341 76.804 3.185 6.014 1.00 0.77 H new ATOM 0 HG22 THR A 341 76.558 3.114 7.775 1.00 0.77 H new ATOM 0 HG23 THR A 341 78.101 2.576 7.069 1.00 0.77 H new ATOM 947 N THR A 342 78.943 -0.660 7.824 1.00 0.72 N ATOM 948 CA THR A 342 80.406 -0.786 8.098 1.00 0.80 C ATOM 949 C THR A 342 81.255 -0.183 6.972 1.00 0.74 C ATOM 950 O THR A 342 82.180 0.564 7.222 1.00 0.97 O ATOM 951 CB THR A 342 80.653 -2.291 8.199 1.00 0.99 C ATOM 952 OG1 THR A 342 79.845 -2.966 7.245 1.00 1.59 O ATOM 953 CG2 THR A 342 80.297 -2.776 9.606 1.00 1.30 C ATOM 0 H THR A 342 78.547 -1.389 7.231 1.00 0.72 H new ATOM 0 HA THR A 342 80.687 -0.247 9.003 1.00 0.80 H new ATOM 0 HB THR A 342 81.704 -2.501 8.000 1.00 0.99 H new ATOM 0 HG1 THR A 342 80.003 -3.931 7.307 1.00 1.59 H new ATOM 0 HG21 THR A 342 80.474 -3.849 9.676 1.00 1.30 H new ATOM 0 HG22 THR A 342 80.917 -2.257 10.337 1.00 1.30 H new ATOM 0 HG23 THR A 342 79.246 -2.567 9.808 1.00 1.30 H new ATOM 961 N PHE A 343 80.974 -0.515 5.741 1.00 0.82 N ATOM 962 CA PHE A 343 81.801 0.029 4.623 1.00 0.84 C ATOM 963 C PHE A 343 82.115 1.519 4.843 1.00 0.83 C ATOM 964 O PHE A 343 83.249 1.864 5.109 1.00 0.91 O ATOM 965 CB PHE A 343 80.977 -0.189 3.354 1.00 0.93 C ATOM 966 CG PHE A 343 81.536 -1.364 2.589 1.00 1.10 C ATOM 967 CD1 PHE A 343 81.193 -2.670 2.959 1.00 1.46 C ATOM 968 CD2 PHE A 343 82.399 -1.147 1.508 1.00 1.85 C ATOM 969 CE1 PHE A 343 81.713 -3.758 2.248 1.00 1.54 C ATOM 970 CE2 PHE A 343 82.919 -2.235 0.798 1.00 2.10 C ATOM 971 CZ PHE A 343 82.576 -3.541 1.168 1.00 1.57 C ATOM 0 H PHE A 343 80.214 -1.135 5.461 1.00 0.82 H new ATOM 0 HA PHE A 343 82.767 -0.472 4.556 1.00 0.84 H new ATOM 0 HB2 PHE A 343 79.934 -0.372 3.612 1.00 0.93 H new ATOM 0 HB3 PHE A 343 81.000 0.707 2.734 1.00 0.93 H new ATOM 0 HD1 PHE A 343 80.527 -2.838 3.793 1.00 1.46 H new ATOM 0 HD2 PHE A 343 82.663 -0.140 1.222 1.00 1.85 H new ATOM 0 HE1 PHE A 343 81.448 -4.765 2.533 1.00 1.54 H new ATOM 0 HE2 PHE A 343 83.585 -2.067 -0.035 1.00 2.10 H new ATOM 0 HZ PHE A 343 82.977 -4.381 0.620 1.00 1.57 H new ATOM 981 N PRO A 344 81.117 2.364 4.729 1.00 0.83 N ATOM 982 CA PRO A 344 81.348 3.815 4.927 1.00 0.91 C ATOM 983 C PRO A 344 81.473 4.139 6.420 1.00 0.89 C ATOM 984 O PRO A 344 81.897 5.213 6.797 1.00 0.95 O ATOM 985 CB PRO A 344 80.096 4.462 4.349 1.00 1.00 C ATOM 986 CG PRO A 344 79.033 3.417 4.457 1.00 0.95 C ATOM 987 CD PRO A 344 79.712 2.071 4.411 1.00 0.86 C ATOM 0 HA PRO A 344 82.266 4.166 4.455 1.00 0.91 H new ATOM 0 HB2 PRO A 344 79.824 5.360 4.904 1.00 1.00 H new ATOM 0 HB3 PRO A 344 80.250 4.762 3.313 1.00 1.00 H new ATOM 0 HG2 PRO A 344 78.475 3.533 5.386 1.00 0.95 H new ATOM 0 HG3 PRO A 344 78.317 3.513 3.641 1.00 0.95 H new ATOM 0 HD2 PRO A 344 79.276 1.380 5.133 1.00 0.86 H new ATOM 0 HD3 PRO A 344 79.614 1.609 3.429 1.00 0.86 H new ATOM 995 N ASN A 345 81.096 3.224 7.273 1.00 0.85 N ATOM 996 CA ASN A 345 81.183 3.493 8.737 1.00 0.89 C ATOM 997 C ASN A 345 80.318 4.705 9.087 1.00 0.85 C ATOM 998 O ASN A 345 80.770 5.645 9.709 1.00 0.97 O ATOM 999 CB ASN A 345 82.658 3.793 9.001 1.00 1.07 C ATOM 1000 CG ASN A 345 83.067 3.200 10.351 1.00 1.49 C ATOM 1001 OD1 ASN A 345 84.051 2.495 10.445 1.00 2.30 O ATOM 1002 ND2 ASN A 345 82.347 3.459 11.408 1.00 1.77 N ATOM 0 H ASN A 345 80.733 2.305 7.020 1.00 0.85 H new ATOM 0 HA ASN A 345 80.829 2.655 9.338 1.00 0.89 H new ATOM 0 HB2 ASN A 345 83.273 3.372 8.206 1.00 1.07 H new ATOM 0 HB3 ASN A 345 82.827 4.870 8.999 1.00 1.07 H new ATOM 0 HD21 ASN A 345 82.611 3.069 12.313 1.00 1.77 H new ATOM 0 HD22 ASN A 345 81.520 4.051 11.329 1.00 1.77 H new ATOM 1009 N LYS A 346 79.079 4.695 8.678 1.00 0.72 N ATOM 1010 CA LYS A 346 78.188 5.853 8.973 1.00 0.72 C ATOM 1011 C LYS A 346 76.908 5.384 9.674 1.00 0.66 C ATOM 1012 O LYS A 346 76.470 4.263 9.512 1.00 0.69 O ATOM 1013 CB LYS A 346 77.867 6.450 7.599 1.00 0.82 C ATOM 1014 CG LYS A 346 76.607 7.316 7.685 1.00 1.37 C ATOM 1015 CD LYS A 346 76.506 8.192 6.434 1.00 2.45 C ATOM 1016 CE LYS A 346 77.033 9.594 6.748 1.00 3.29 C ATOM 1017 NZ LYS A 346 77.113 10.279 5.428 1.00 4.28 N ATOM 0 H LYS A 346 78.645 3.936 8.153 1.00 0.72 H new ATOM 0 HA LYS A 346 78.655 6.578 9.640 1.00 0.72 H new ATOM 0 HB2 LYS A 346 78.707 7.050 7.249 1.00 0.82 H new ATOM 0 HB3 LYS A 346 77.720 5.651 6.872 1.00 0.82 H new ATOM 0 HG2 LYS A 346 75.723 6.684 7.772 1.00 1.37 H new ATOM 0 HG3 LYS A 346 76.642 7.940 8.578 1.00 1.37 H new ATOM 0 HD2 LYS A 346 77.081 7.750 5.620 1.00 2.45 H new ATOM 0 HD3 LYS A 346 75.470 8.248 6.099 1.00 2.45 H new ATOM 0 HE2 LYS A 346 76.366 10.124 7.428 1.00 3.29 H new ATOM 0 HE3 LYS A 346 78.010 9.550 7.230 1.00 3.29 H new ATOM 0 HZ1 LYS A 346 77.467 11.248 5.561 1.00 4.28 H new ATOM 0 HZ2 LYS A 346 77.760 9.756 4.804 1.00 4.28 H new ATOM 0 HZ3 LYS A 346 76.167 10.312 4.996 1.00 4.28 H new ATOM 1031 N GLU A 347 76.308 6.242 10.452 1.00 0.67 N ATOM 1032 CA GLU A 347 75.056 5.861 11.165 1.00 0.71 C ATOM 1033 C GLU A 347 73.865 5.912 10.199 1.00 0.79 C ATOM 1034 O GLU A 347 73.672 6.879 9.491 1.00 0.83 O ATOM 1035 CB GLU A 347 74.909 6.908 12.270 1.00 0.78 C ATOM 1036 CG GLU A 347 73.618 6.660 13.051 1.00 1.42 C ATOM 1037 CD GLU A 347 73.728 7.309 14.432 1.00 1.97 C ATOM 1038 OE1 GLU A 347 73.756 8.527 14.492 1.00 2.54 O ATOM 1039 OE2 GLU A 347 73.784 6.577 15.407 1.00 2.55 O ATOM 0 H GLU A 347 76.632 7.194 10.625 1.00 0.67 H new ATOM 0 HA GLU A 347 75.090 4.848 11.566 1.00 0.71 H new ATOM 0 HB2 GLU A 347 75.766 6.863 12.942 1.00 0.78 H new ATOM 0 HB3 GLU A 347 74.896 7.908 11.837 1.00 0.78 H new ATOM 0 HG2 GLU A 347 72.767 7.073 12.509 1.00 1.42 H new ATOM 0 HG3 GLU A 347 73.441 5.589 13.153 1.00 1.42 H new ATOM 1046 N LEU A 348 73.081 4.865 10.159 1.00 0.93 N ATOM 1047 CA LEU A 348 71.904 4.820 9.233 1.00 1.13 C ATOM 1048 C LEU A 348 71.261 6.200 9.063 1.00 0.89 C ATOM 1049 O LEU A 348 71.397 7.073 9.897 1.00 1.62 O ATOM 1050 CB LEU A 348 70.915 3.865 9.897 1.00 2.19 C ATOM 1051 CG LEU A 348 69.643 3.788 9.051 1.00 2.91 C ATOM 1052 CD1 LEU A 348 68.966 2.435 9.267 1.00 4.03 C ATOM 1053 CD2 LEU A 348 68.687 4.910 9.463 1.00 3.49 C ATOM 0 H LEU A 348 73.205 4.031 10.733 1.00 0.93 H new ATOM 0 HA LEU A 348 72.202 4.497 8.236 1.00 1.13 H new ATOM 0 HB2 LEU A 348 71.359 2.875 9.998 1.00 2.19 H new ATOM 0 HB3 LEU A 348 70.677 4.211 10.903 1.00 2.19 H new ATOM 0 HG LEU A 348 69.901 3.899 7.998 1.00 2.91 H new ATOM 0 HD11 LEU A 348 68.060 2.381 8.664 1.00 4.03 H new ATOM 0 HD12 LEU A 348 69.646 1.636 8.972 1.00 4.03 H new ATOM 0 HD13 LEU A 348 68.708 2.321 10.320 1.00 4.03 H new ATOM 0 HD21 LEU A 348 67.781 4.855 8.860 1.00 3.49 H new ATOM 0 HD22 LEU A 348 68.429 4.800 10.516 1.00 3.49 H new ATOM 0 HD23 LEU A 348 69.169 5.875 9.306 1.00 3.49 H new ATOM 1065 N ALA A 349 70.551 6.391 7.983 1.00 1.10 N ATOM 1066 CA ALA A 349 69.884 7.702 7.739 1.00 1.83 C ATOM 1067 C ALA A 349 68.878 7.569 6.592 1.00 1.60 C ATOM 1068 O ALA A 349 69.248 7.490 5.437 1.00 2.46 O ATOM 1069 CB ALA A 349 71.013 8.656 7.354 1.00 2.68 C ATOM 0 H ALA A 349 70.404 5.691 7.256 1.00 1.10 H new ATOM 0 HA ALA A 349 69.333 8.057 8.610 1.00 1.83 H new ATOM 0 HB1 ALA A 349 70.602 9.646 7.158 1.00 2.68 H new ATOM 0 HB2 ALA A 349 71.732 8.717 8.171 1.00 2.68 H new ATOM 0 HB3 ALA A 349 71.512 8.286 6.458 1.00 2.68 H new ATOM 1075 N ASP A 350 67.610 7.535 6.898 1.00 1.01 N ATOM 1076 CA ASP A 350 66.589 7.398 5.819 1.00 1.10 C ATOM 1077 C ASP A 350 65.750 8.672 5.701 1.00 0.93 C ATOM 1078 O ASP A 350 66.200 9.759 6.007 1.00 1.21 O ATOM 1079 CB ASP A 350 65.712 6.226 6.253 1.00 1.78 C ATOM 1080 CG ASP A 350 65.163 5.519 5.014 1.00 2.54 C ATOM 1081 OD1 ASP A 350 65.960 4.988 4.258 1.00 3.10 O ATOM 1082 OD2 ASP A 350 63.955 5.520 4.842 1.00 3.10 O ATOM 0 H ASP A 350 67.237 7.596 7.845 1.00 1.01 H new ATOM 0 HA ASP A 350 67.048 7.234 4.844 1.00 1.10 H new ATOM 0 HB2 ASP A 350 66.291 5.528 6.857 1.00 1.78 H new ATOM 0 HB3 ASP A 350 64.892 6.582 6.876 1.00 1.78 H new ATOM 1087 N GLU A 351 64.530 8.542 5.253 1.00 0.89 N ATOM 1088 CA GLU A 351 63.651 9.736 5.107 1.00 1.28 C ATOM 1089 C GLU A 351 62.186 9.295 5.008 1.00 1.20 C ATOM 1090 O GLU A 351 61.402 9.504 5.912 1.00 1.76 O ATOM 1091 CB GLU A 351 64.109 10.402 3.806 1.00 1.69 C ATOM 1092 CG GLU A 351 63.005 11.320 3.275 1.00 2.47 C ATOM 1093 CD GLU A 351 63.609 12.665 2.870 1.00 2.81 C ATOM 1094 OE1 GLU A 351 64.405 12.681 1.946 1.00 3.58 O ATOM 1095 OE2 GLU A 351 63.265 13.657 3.492 1.00 2.78 O ATOM 0 H GLU A 351 64.104 7.656 4.981 1.00 0.89 H new ATOM 0 HA GLU A 351 63.720 10.416 5.956 1.00 1.28 H new ATOM 0 HB2 GLU A 351 65.019 10.976 3.982 1.00 1.69 H new ATOM 0 HB3 GLU A 351 64.351 9.642 3.063 1.00 1.69 H new ATOM 0 HG2 GLU A 351 62.514 10.858 2.419 1.00 2.47 H new ATOM 0 HG3 GLU A 351 62.242 11.468 4.039 1.00 2.47 H new ATOM 1102 N ASN A 352 61.813 8.684 3.916 1.00 0.93 N ATOM 1103 CA ASN A 352 60.402 8.228 3.760 1.00 0.90 C ATOM 1104 C ASN A 352 60.170 7.685 2.346 1.00 0.84 C ATOM 1105 O ASN A 352 59.320 6.846 2.126 1.00 1.18 O ATOM 1106 CB ASN A 352 59.551 9.475 4.001 1.00 1.13 C ATOM 1107 CG ASN A 352 58.524 9.188 5.097 1.00 1.50 C ATOM 1108 OD1 ASN A 352 58.650 8.223 5.826 1.00 2.00 O ATOM 1109 ND2 ASN A 352 57.505 9.989 5.247 1.00 2.36 N ATOM 0 H ASN A 352 62.424 8.481 3.125 1.00 0.93 H new ATOM 0 HA ASN A 352 60.152 7.424 4.452 1.00 0.90 H new ATOM 0 HB2 ASN A 352 60.186 10.311 4.293 1.00 1.13 H new ATOM 0 HB3 ASN A 352 59.045 9.766 3.081 1.00 1.13 H new ATOM 0 HD21 ASN A 352 56.815 9.805 5.975 1.00 2.36 H new ATOM 0 HD22 ASN A 352 57.399 10.799 4.636 1.00 2.36 H new ATOM 1116 N GLN A 353 60.916 8.157 1.386 1.00 0.88 N ATOM 1117 CA GLN A 353 60.731 7.663 -0.009 1.00 0.86 C ATOM 1118 C GLN A 353 61.598 6.425 -0.252 1.00 0.80 C ATOM 1119 O GLN A 353 61.792 5.608 0.626 1.00 1.13 O ATOM 1120 CB GLN A 353 61.182 8.819 -0.901 1.00 1.03 C ATOM 1121 CG GLN A 353 60.330 8.846 -2.171 1.00 1.52 C ATOM 1122 CD GLN A 353 60.346 10.254 -2.766 1.00 1.96 C ATOM 1123 OE1 GLN A 353 61.157 10.557 -3.619 1.00 2.91 O ATOM 1124 NE2 GLN A 353 59.478 11.135 -2.350 1.00 2.05 N ATOM 0 H GLN A 353 61.644 8.861 1.506 1.00 0.88 H new ATOM 0 HA GLN A 353 59.700 7.371 -0.211 1.00 0.86 H new ATOM 0 HB2 GLN A 353 61.086 9.764 -0.366 1.00 1.03 H new ATOM 0 HB3 GLN A 353 62.235 8.704 -1.159 1.00 1.03 H new ATOM 0 HG2 GLN A 353 60.716 8.129 -2.896 1.00 1.52 H new ATOM 0 HG3 GLN A 353 59.307 8.548 -1.942 1.00 1.52 H new ATOM 0 HE21 GLN A 353 58.797 10.881 -1.634 1.00 2.05 H new ATOM 0 HE22 GLN A 353 59.480 12.077 -2.741 1.00 2.05 H new ATOM 1133 N THR A 354 62.121 6.280 -1.439 1.00 0.60 N ATOM 1134 CA THR A 354 62.974 5.094 -1.737 1.00 0.56 C ATOM 1135 C THR A 354 64.069 4.955 -0.677 1.00 0.68 C ATOM 1136 O THR A 354 64.273 5.834 0.137 1.00 1.44 O ATOM 1137 CB THR A 354 63.586 5.378 -3.110 1.00 0.58 C ATOM 1138 OG1 THR A 354 64.311 6.600 -3.060 1.00 0.81 O ATOM 1139 CG2 THR A 354 62.475 5.484 -4.157 1.00 0.66 C ATOM 0 H THR A 354 61.995 6.930 -2.214 1.00 0.60 H new ATOM 0 HA THR A 354 62.406 4.164 -1.732 1.00 0.56 H new ATOM 0 HB THR A 354 64.260 4.565 -3.382 1.00 0.58 H new ATOM 0 HG1 THR A 354 64.705 6.783 -3.938 1.00 0.81 H new ATOM 0 HG21 THR A 354 62.914 5.686 -5.134 1.00 0.66 H new ATOM 0 HG22 THR A 354 61.921 4.546 -4.195 1.00 0.66 H new ATOM 0 HG23 THR A 354 61.798 6.295 -3.888 1.00 0.66 H new ATOM 1147 N LEU A 355 64.775 3.858 -0.678 1.00 0.60 N ATOM 1148 CA LEU A 355 65.854 3.666 0.332 1.00 0.53 C ATOM 1149 C LEU A 355 67.174 4.216 -0.210 1.00 0.56 C ATOM 1150 O LEU A 355 67.983 4.753 0.521 1.00 0.66 O ATOM 1151 CB LEU A 355 65.937 2.149 0.545 1.00 0.52 C ATOM 1152 CG LEU A 355 66.857 1.810 1.731 1.00 0.57 C ATOM 1153 CD1 LEU A 355 66.801 2.913 2.794 1.00 0.61 C ATOM 1154 CD2 LEU A 355 66.399 0.490 2.357 1.00 0.71 C ATOM 0 H LEU A 355 64.652 3.087 -1.334 1.00 0.60 H new ATOM 0 HA LEU A 355 65.652 4.189 1.266 1.00 0.53 H new ATOM 0 HB2 LEU A 355 64.940 1.748 0.727 1.00 0.52 H new ATOM 0 HB3 LEU A 355 66.312 1.671 -0.360 1.00 0.52 H new ATOM 0 HG LEU A 355 67.881 1.725 1.367 1.00 0.57 H new ATOM 0 HD11 LEU A 355 67.459 2.653 3.623 1.00 0.61 H new ATOM 0 HD12 LEU A 355 67.125 3.857 2.356 1.00 0.61 H new ATOM 0 HD13 LEU A 355 65.779 3.015 3.159 1.00 0.61 H new ATOM 0 HD21 LEU A 355 67.046 0.243 3.199 1.00 0.71 H new ATOM 0 HD22 LEU A 355 65.371 0.590 2.707 1.00 0.71 H new ATOM 0 HD23 LEU A 355 66.453 -0.304 1.612 1.00 0.71 H new ATOM 1166 N LYS A 356 67.390 4.097 -1.490 1.00 0.56 N ATOM 1167 CA LYS A 356 68.650 4.623 -2.086 1.00 0.64 C ATOM 1168 C LYS A 356 68.665 6.150 -1.994 1.00 0.68 C ATOM 1169 O LYS A 356 69.708 6.771 -1.954 1.00 0.76 O ATOM 1170 CB LYS A 356 68.618 4.171 -3.546 1.00 0.69 C ATOM 1171 CG LYS A 356 67.446 4.844 -4.263 1.00 0.76 C ATOM 1172 CD LYS A 356 67.288 4.241 -5.660 1.00 1.06 C ATOM 1173 CE LYS A 356 68.501 4.614 -6.517 1.00 1.71 C ATOM 1174 NZ LYS A 356 68.066 4.380 -7.923 1.00 2.01 N ATOM 0 H LYS A 356 66.748 3.658 -2.150 1.00 0.56 H new ATOM 0 HA LYS A 356 69.540 4.260 -1.572 1.00 0.64 H new ATOM 0 HB2 LYS A 356 69.556 4.429 -4.038 1.00 0.69 H new ATOM 0 HB3 LYS A 356 68.517 3.087 -3.600 1.00 0.69 H new ATOM 0 HG2 LYS A 356 66.529 4.707 -3.690 1.00 0.76 H new ATOM 0 HG3 LYS A 356 67.619 5.918 -4.336 1.00 0.76 H new ATOM 0 HD2 LYS A 356 67.197 3.157 -5.592 1.00 1.06 H new ATOM 0 HD3 LYS A 356 66.374 4.609 -6.125 1.00 1.06 H new ATOM 0 HE2 LYS A 356 68.790 5.653 -6.361 1.00 1.71 H new ATOM 0 HE3 LYS A 356 69.366 4.001 -6.264 1.00 1.71 H new ATOM 0 HZ1 LYS A 356 68.845 4.614 -8.571 1.00 2.01 H new ATOM 0 HZ2 LYS A 356 67.804 3.381 -8.043 1.00 2.01 H new ATOM 0 HZ3 LYS A 356 67.245 4.982 -8.137 1.00 2.01 H new ATOM 1188 N GLU A 357 67.510 6.759 -1.958 1.00 0.65 N ATOM 1189 CA GLU A 357 67.451 8.245 -1.867 1.00 0.73 C ATOM 1190 C GLU A 357 68.319 8.733 -0.706 1.00 0.76 C ATOM 1191 O GLU A 357 68.852 9.825 -0.732 1.00 0.85 O ATOM 1192 CB GLU A 357 65.978 8.566 -1.606 1.00 0.71 C ATOM 1193 CG GLU A 357 65.442 9.459 -2.727 1.00 1.20 C ATOM 1194 CD GLU A 357 65.823 10.913 -2.448 1.00 1.56 C ATOM 1195 OE1 GLU A 357 66.653 11.131 -1.581 1.00 2.41 O ATOM 1196 OE2 GLU A 357 65.278 11.785 -3.105 1.00 1.74 O ATOM 0 H GLU A 357 66.605 6.290 -1.988 1.00 0.65 H new ATOM 0 HA GLU A 357 67.821 8.732 -2.770 1.00 0.73 H new ATOM 0 HB2 GLU A 357 65.398 7.644 -1.553 1.00 0.71 H new ATOM 0 HB3 GLU A 357 65.869 9.067 -0.644 1.00 0.71 H new ATOM 0 HG2 GLU A 357 65.852 9.142 -3.686 1.00 1.20 H new ATOM 0 HG3 GLU A 357 64.358 9.363 -2.796 1.00 1.20 H new ATOM 1203 N ALA A 358 68.471 7.930 0.311 1.00 0.73 N ATOM 1204 CA ALA A 358 69.311 8.346 1.470 1.00 0.79 C ATOM 1205 C ALA A 358 70.762 8.527 1.021 1.00 0.77 C ATOM 1206 O ALA A 358 71.582 9.066 1.736 1.00 0.83 O ATOM 1207 CB ALA A 358 69.197 7.200 2.476 1.00 0.87 C ATOM 0 H ALA A 358 68.050 7.004 0.390 1.00 0.73 H new ATOM 0 HA ALA A 358 68.988 9.294 1.900 1.00 0.79 H new ATOM 0 HB1 ALA A 358 69.790 7.432 3.361 1.00 0.87 H new ATOM 0 HB2 ALA A 358 68.153 7.070 2.763 1.00 0.87 H new ATOM 0 HB3 ALA A 358 69.566 6.280 2.023 1.00 0.87 H new ATOM 1213 N ASN A 359 71.083 8.077 -0.163 1.00 0.73 N ATOM 1214 CA ASN A 359 72.479 8.218 -0.672 1.00 0.80 C ATOM 1215 C ASN A 359 73.424 7.282 0.098 1.00 0.82 C ATOM 1216 O ASN A 359 74.618 7.272 -0.125 1.00 0.88 O ATOM 1217 CB ASN A 359 72.827 9.708 -0.466 1.00 0.92 C ATOM 1218 CG ASN A 359 73.854 9.896 0.661 1.00 1.00 C ATOM 1219 OD1 ASN A 359 73.517 10.345 1.738 1.00 1.35 O ATOM 1220 ND2 ASN A 359 75.101 9.574 0.451 1.00 1.53 N ATOM 0 H ASN A 359 70.436 7.616 -0.802 1.00 0.73 H new ATOM 0 HA ASN A 359 72.581 7.937 -1.720 1.00 0.80 H new ATOM 0 HB2 ASN A 359 73.223 10.122 -1.393 1.00 0.92 H new ATOM 0 HB3 ASN A 359 71.920 10.265 -0.230 1.00 0.92 H new ATOM 0 HD21 ASN A 359 75.792 9.699 1.191 1.00 1.53 H new ATOM 0 HD22 ASN A 359 75.385 9.197 -0.453 1.00 1.53 H new ATOM 1227 N LEU A 360 72.899 6.496 0.997 1.00 0.85 N ATOM 1228 CA LEU A 360 73.770 5.567 1.773 1.00 0.96 C ATOM 1229 C LEU A 360 73.500 4.115 1.366 1.00 0.81 C ATOM 1230 O LEU A 360 73.935 3.187 2.020 1.00 0.85 O ATOM 1231 CB LEU A 360 73.388 5.796 3.236 1.00 1.21 C ATOM 1232 CG LEU A 360 73.874 7.178 3.678 1.00 1.63 C ATOM 1233 CD1 LEU A 360 73.075 7.634 4.900 1.00 2.50 C ATOM 1234 CD2 LEU A 360 75.359 7.103 4.041 1.00 2.19 C ATOM 0 H LEU A 360 71.906 6.456 1.228 1.00 0.85 H new ATOM 0 HA LEU A 360 74.829 5.751 1.594 1.00 0.96 H new ATOM 0 HB2 LEU A 360 72.307 5.723 3.357 1.00 1.21 H new ATOM 0 HB3 LEU A 360 73.832 5.024 3.864 1.00 1.21 H new ATOM 0 HG LEU A 360 73.732 7.890 2.865 1.00 1.63 H new ATOM 0 HD11 LEU A 360 73.421 8.618 5.215 1.00 2.50 H new ATOM 0 HD12 LEU A 360 72.017 7.686 4.644 1.00 2.50 H new ATOM 0 HD13 LEU A 360 73.217 6.922 5.714 1.00 2.50 H new ATOM 0 HD21 LEU A 360 75.707 8.087 4.356 1.00 2.19 H new ATOM 0 HD22 LEU A 360 75.499 6.391 4.854 1.00 2.19 H new ATOM 0 HD23 LEU A 360 75.930 6.778 3.171 1.00 2.19 H new ATOM 1246 N LEU A 361 72.786 3.907 0.292 1.00 0.70 N ATOM 1247 CA LEU A 361 72.494 2.512 -0.148 1.00 0.66 C ATOM 1248 C LEU A 361 73.776 1.675 -0.133 1.00 0.65 C ATOM 1249 O LEU A 361 74.526 1.652 -1.088 1.00 0.83 O ATOM 1250 CB LEU A 361 71.959 2.647 -1.574 1.00 0.79 C ATOM 1251 CG LEU A 361 71.306 1.330 -1.999 1.00 0.76 C ATOM 1252 CD1 LEU A 361 69.927 1.210 -1.348 1.00 1.35 C ATOM 1253 CD2 LEU A 361 71.152 1.305 -3.522 1.00 1.47 C ATOM 0 H LEU A 361 72.393 4.641 -0.298 1.00 0.70 H new ATOM 0 HA LEU A 361 71.780 2.014 0.508 1.00 0.66 H new ATOM 0 HB2 LEU A 361 71.234 3.459 -1.627 1.00 0.79 H new ATOM 0 HB3 LEU A 361 72.771 2.900 -2.256 1.00 0.79 H new ATOM 0 HG LEU A 361 71.932 0.496 -1.682 1.00 0.76 H new ATOM 0 HD11 LEU A 361 69.462 0.272 -1.651 1.00 1.35 H new ATOM 0 HD12 LEU A 361 70.034 1.228 -0.263 1.00 1.35 H new ATOM 0 HD13 LEU A 361 69.301 2.044 -1.665 1.00 1.35 H new ATOM 0 HD21 LEU A 361 70.687 0.367 -3.825 1.00 1.47 H new ATOM 0 HD22 LEU A 361 70.526 2.139 -3.838 1.00 1.47 H new ATOM 0 HD23 LEU A 361 72.133 1.391 -3.988 1.00 1.47 H new ATOM 1265 N ASN A 362 74.034 0.991 0.948 1.00 0.62 N ATOM 1266 CA ASN A 362 75.268 0.158 1.029 1.00 0.78 C ATOM 1267 C ASN A 362 74.952 -1.298 0.677 1.00 0.68 C ATOM 1268 O ASN A 362 75.825 -2.143 0.652 1.00 0.77 O ATOM 1269 CB ASN A 362 75.723 0.269 2.484 1.00 0.98 C ATOM 1270 CG ASN A 362 76.506 1.568 2.675 1.00 1.62 C ATOM 1271 OD1 ASN A 362 77.314 1.676 3.575 1.00 2.32 O ATOM 1272 ND2 ASN A 362 76.298 2.567 1.862 1.00 2.28 N ATOM 0 H ASN A 362 73.443 0.973 1.779 1.00 0.62 H new ATOM 0 HA ASN A 362 76.037 0.492 0.332 1.00 0.78 H new ATOM 0 HB2 ASN A 362 74.859 0.251 3.149 1.00 0.98 H new ATOM 0 HB3 ASN A 362 76.346 -0.586 2.748 1.00 0.98 H new ATOM 0 HD21 ASN A 362 76.814 3.439 1.982 1.00 2.28 H new ATOM 0 HD22 ASN A 362 75.619 2.476 1.106 1.00 2.28 H new ATOM 1279 N ALA A 363 73.710 -1.598 0.408 1.00 0.55 N ATOM 1280 CA ALA A 363 73.333 -3.001 0.061 1.00 0.55 C ATOM 1281 C ALA A 363 73.425 -3.892 1.303 1.00 0.52 C ATOM 1282 O ALA A 363 72.468 -4.530 1.693 1.00 0.65 O ATOM 1283 CB ALA A 363 74.346 -3.446 -0.997 1.00 0.68 C ATOM 0 H ALA A 363 72.938 -0.932 0.413 1.00 0.55 H new ATOM 0 HA ALA A 363 72.310 -3.071 -0.309 1.00 0.55 H new ATOM 0 HB1 ALA A 363 74.130 -4.471 -1.300 1.00 0.68 H new ATOM 0 HB2 ALA A 363 74.278 -2.789 -1.864 1.00 0.68 H new ATOM 0 HB3 ALA A 363 75.352 -3.395 -0.581 1.00 0.68 H new ATOM 1289 N VAL A 364 74.570 -3.938 1.929 1.00 0.48 N ATOM 1290 CA VAL A 364 74.721 -4.785 3.147 1.00 0.48 C ATOM 1291 C VAL A 364 75.009 -3.905 4.367 1.00 0.45 C ATOM 1292 O VAL A 364 76.037 -3.264 4.452 1.00 0.58 O ATOM 1293 CB VAL A 364 75.910 -5.699 2.850 1.00 0.63 C ATOM 1294 CG1 VAL A 364 77.144 -4.850 2.542 1.00 0.72 C ATOM 1295 CG2 VAL A 364 76.190 -6.581 4.069 1.00 0.65 C ATOM 0 H VAL A 364 75.407 -3.426 1.650 1.00 0.48 H new ATOM 0 HA VAL A 364 73.818 -5.354 3.371 1.00 0.48 H new ATOM 0 HB VAL A 364 75.679 -6.327 1.990 1.00 0.63 H new ATOM 0 HG11 VAL A 364 77.991 -5.503 2.330 1.00 0.72 H new ATOM 0 HG12 VAL A 364 76.945 -4.221 1.675 1.00 0.72 H new ATOM 0 HG13 VAL A 364 77.376 -4.221 3.401 1.00 0.72 H new ATOM 0 HG21 VAL A 364 77.038 -7.233 3.859 1.00 0.65 H new ATOM 0 HG22 VAL A 364 76.421 -5.951 4.928 1.00 0.65 H new ATOM 0 HG23 VAL A 364 75.311 -7.187 4.289 1.00 0.65 H new ATOM 1305 N ILE A 365 74.108 -3.868 5.311 1.00 0.37 N ATOM 1306 CA ILE A 365 74.330 -3.028 6.523 1.00 0.40 C ATOM 1307 C ILE A 365 74.375 -3.907 7.776 1.00 0.43 C ATOM 1308 O ILE A 365 73.884 -5.018 7.784 1.00 0.46 O ATOM 1309 CB ILE A 365 73.132 -2.080 6.570 1.00 0.44 C ATOM 1310 CG1 ILE A 365 73.204 -1.113 5.386 1.00 0.52 C ATOM 1311 CG2 ILE A 365 73.159 -1.287 7.878 1.00 0.58 C ATOM 1312 CD1 ILE A 365 71.920 -0.284 5.323 1.00 1.24 C ATOM 0 H ILE A 365 73.228 -4.383 5.295 1.00 0.37 H new ATOM 0 HA ILE A 365 75.275 -2.487 6.485 1.00 0.40 H new ATOM 0 HB ILE A 365 72.209 -2.657 6.515 1.00 0.44 H new ATOM 0 HG12 ILE A 365 74.068 -0.457 5.491 1.00 0.52 H new ATOM 0 HG13 ILE A 365 73.337 -1.668 4.457 1.00 0.52 H new ATOM 0 HG21 ILE A 365 72.305 -0.611 7.911 1.00 0.58 H new ATOM 0 HG22 ILE A 365 73.110 -1.975 8.722 1.00 0.58 H new ATOM 0 HG23 ILE A 365 74.081 -0.709 7.934 1.00 0.58 H new ATOM 0 HD11 ILE A 365 71.972 0.404 4.479 1.00 1.24 H new ATOM 0 HD12 ILE A 365 71.064 -0.947 5.197 1.00 1.24 H new ATOM 0 HD13 ILE A 365 71.807 0.283 6.247 1.00 1.24 H new ATOM 1324 N VAL A 366 74.968 -3.421 8.833 1.00 0.44 N ATOM 1325 CA VAL A 366 75.051 -4.234 10.080 1.00 0.48 C ATOM 1326 C VAL A 366 74.192 -3.602 11.186 1.00 0.47 C ATOM 1327 O VAL A 366 74.257 -2.415 11.438 1.00 0.46 O ATOM 1328 CB VAL A 366 76.552 -4.238 10.439 1.00 0.54 C ATOM 1329 CG1 VAL A 366 76.780 -3.815 11.897 1.00 1.18 C ATOM 1330 CG2 VAL A 366 77.110 -5.648 10.236 1.00 1.40 C ATOM 0 H VAL A 366 75.398 -2.498 8.887 1.00 0.44 H new ATOM 0 HA VAL A 366 74.671 -5.248 9.957 1.00 0.48 H new ATOM 0 HB VAL A 366 77.061 -3.525 9.791 1.00 0.54 H new ATOM 0 HG11 VAL A 366 77.847 -3.829 12.117 1.00 1.18 H new ATOM 0 HG12 VAL A 366 76.391 -2.808 12.049 1.00 1.18 H new ATOM 0 HG13 VAL A 366 76.264 -4.508 12.562 1.00 1.18 H new ATOM 0 HG21 VAL A 366 78.171 -5.659 10.488 1.00 1.40 H new ATOM 0 HG22 VAL A 366 76.577 -6.347 10.881 1.00 1.40 H new ATOM 0 HG23 VAL A 366 76.981 -5.944 9.195 1.00 1.40 H new ATOM 1340 N GLN A 367 73.398 -4.396 11.851 1.00 0.48 N ATOM 1341 CA GLN A 367 72.543 -3.858 12.948 1.00 0.49 C ATOM 1342 C GLN A 367 72.940 -4.516 14.274 1.00 0.47 C ATOM 1343 O GLN A 367 73.165 -5.708 14.339 1.00 0.48 O ATOM 1344 CB GLN A 367 71.113 -4.241 12.560 1.00 0.54 C ATOM 1345 CG GLN A 367 70.120 -3.408 13.373 1.00 0.62 C ATOM 1346 CD GLN A 367 68.716 -3.578 12.789 1.00 1.21 C ATOM 1347 OE1 GLN A 367 68.428 -4.569 12.148 1.00 1.90 O ATOM 1348 NE2 GLN A 367 67.824 -2.647 12.986 1.00 1.86 N ATOM 0 H GLN A 367 73.304 -5.397 11.682 1.00 0.48 H new ATOM 0 HA GLN A 367 72.649 -2.781 13.076 1.00 0.49 H new ATOM 0 HB2 GLN A 367 70.957 -4.073 11.494 1.00 0.54 H new ATOM 0 HB3 GLN A 367 70.948 -5.303 12.743 1.00 0.54 H new ATOM 0 HG2 GLN A 367 70.132 -3.723 14.416 1.00 0.62 H new ATOM 0 HG3 GLN A 367 70.409 -2.357 13.354 1.00 0.62 H new ATOM 0 HE21 GLN A 367 68.066 -1.815 13.524 1.00 1.86 H new ATOM 0 HE22 GLN A 367 66.885 -2.751 12.602 1.00 1.86 H new ATOM 1357 N ARG A 368 73.044 -3.752 15.328 1.00 0.48 N ATOM 1358 CA ARG A 368 73.445 -4.350 16.635 1.00 0.48 C ATOM 1359 C ARG A 368 72.286 -4.311 17.636 1.00 0.53 C ATOM 1360 O ARG A 368 71.518 -3.371 17.682 1.00 0.65 O ATOM 1361 CB ARG A 368 74.606 -3.485 17.125 1.00 0.48 C ATOM 1362 CG ARG A 368 75.761 -4.387 17.562 1.00 0.86 C ATOM 1363 CD ARG A 368 76.687 -3.614 18.503 1.00 1.37 C ATOM 1364 NE ARG A 368 77.766 -4.578 18.855 1.00 1.80 N ATOM 1365 CZ ARG A 368 78.817 -4.170 19.511 1.00 2.28 C ATOM 1366 NH1 ARG A 368 79.292 -2.973 19.303 1.00 2.64 N ATOM 1367 NH2 ARG A 368 79.393 -4.959 20.376 1.00 3.08 N ATOM 0 H ARG A 368 72.870 -2.747 15.342 1.00 0.48 H new ATOM 0 HA ARG A 368 73.726 -5.398 16.531 1.00 0.48 H new ATOM 0 HB2 ARG A 368 74.934 -2.814 16.331 1.00 0.48 H new ATOM 0 HB3 ARG A 368 74.283 -2.860 17.958 1.00 0.48 H new ATOM 0 HG2 ARG A 368 75.374 -5.274 18.064 1.00 0.86 H new ATOM 0 HG3 ARG A 368 76.317 -4.731 16.690 1.00 0.86 H new ATOM 0 HD2 ARG A 368 77.093 -2.727 18.017 1.00 1.37 H new ATOM 0 HD3 ARG A 368 76.154 -3.275 19.392 1.00 1.37 H new ATOM 0 HE ARG A 368 77.683 -5.558 18.583 1.00 1.80 H new ATOM 0 HH11 ARG A 368 78.842 -2.356 18.627 1.00 2.64 H new ATOM 0 HH12 ARG A 368 80.114 -2.654 19.816 1.00 2.64 H new ATOM 0 HH21 ARG A 368 79.021 -5.895 20.539 1.00 3.08 H new ATOM 0 HH22 ARG A 368 80.215 -4.640 20.889 1.00 3.08 H new ATOM 1381 N LEU A 369 72.164 -5.333 18.440 1.00 0.50 N ATOM 1382 CA LEU A 369 71.065 -5.378 19.449 1.00 0.58 C ATOM 1383 C LEU A 369 71.669 -5.523 20.851 1.00 0.66 C ATOM 1384 O LEU A 369 72.294 -6.517 21.164 1.00 0.73 O ATOM 1385 CB LEU A 369 70.257 -6.634 19.077 1.00 0.70 C ATOM 1386 CG LEU A 369 68.730 -6.401 19.106 1.00 1.20 C ATOM 1387 CD1 LEU A 369 68.374 -4.930 18.903 1.00 2.13 C ATOM 1388 CD2 LEU A 369 68.087 -7.216 17.983 1.00 1.84 C ATOM 0 H LEU A 369 72.782 -6.144 18.441 1.00 0.50 H new ATOM 0 HA LEU A 369 70.448 -4.480 19.452 1.00 0.58 H new ATOM 0 HB2 LEU A 369 70.549 -6.965 18.081 1.00 0.70 H new ATOM 0 HB3 LEU A 369 70.509 -7.439 19.767 1.00 0.70 H new ATOM 0 HG LEU A 369 68.360 -6.710 20.084 1.00 1.20 H new ATOM 0 HD11 LEU A 369 67.291 -4.811 18.930 1.00 2.13 H new ATOM 0 HD12 LEU A 369 68.825 -4.334 19.696 1.00 2.13 H new ATOM 0 HD13 LEU A 369 68.752 -4.594 17.937 1.00 2.13 H new ATOM 0 HD21 LEU A 369 67.008 -7.060 17.992 1.00 1.84 H new ATOM 0 HD22 LEU A 369 68.492 -6.895 17.023 1.00 1.84 H new ATOM 0 HD23 LEU A 369 68.302 -8.274 18.132 1.00 1.84 H new ATOM 1400 N THR A 370 71.494 -4.544 21.696 1.00 0.74 N ATOM 1401 CA THR A 370 72.069 -4.640 23.070 1.00 0.90 C ATOM 1402 C THR A 370 71.090 -4.070 24.100 1.00 1.08 C ATOM 1403 O THR A 370 70.161 -3.393 23.694 1.00 1.38 O ATOM 1404 CB THR A 370 73.351 -3.805 23.025 1.00 1.14 C ATOM 1405 OG1 THR A 370 73.881 -3.684 24.338 1.00 1.75 O ATOM 1406 CG2 THR A 370 73.041 -2.415 22.468 1.00 1.12 C ATOM 1407 OXT THR A 370 71.287 -4.321 25.278 1.00 1.79 O ATOM 0 H THR A 370 70.981 -3.685 21.497 1.00 0.74 H new ATOM 0 HA THR A 370 72.266 -5.672 23.361 1.00 0.90 H new ATOM 0 HB THR A 370 74.081 -4.296 22.381 1.00 1.14 H new ATOM 0 HG1 THR A 370 74.703 -3.151 24.311 1.00 1.75 H new ATOM 0 HG21 THR A 370 73.956 -1.823 22.437 1.00 1.12 H new ATOM 0 HG22 THR A 370 72.635 -2.509 21.461 1.00 1.12 H new ATOM 0 HG23 THR A 370 72.310 -1.921 23.109 1.00 1.12 H new TER 1415 THR A 370 END