USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) HEADER ATP SYNTHESIS 29-JAN-97 1ABV TITLE N-TERMINAL DOMAIN OF THE DELTA SUBUNIT OF THE F1F0-ATP TITLE 2 SYNTHASE FROM ESCHERICHIA COLI, NMR, MINIMIZED AVERAGE TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DELTA SUBUNIT OF THE F1F0-ATP SYNTHASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1 - 134; COMPND 5 EC: 3.6.1.34; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: MM294 AND 594; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PJC1; SOURCE 9 EXPRESSION_SYSTEM_GENE: UNCH KEYWDS ATP SYNTHESIS, ATP SYNTHASE, F1-ATPASE, DELTA SUBUNIT, NMR KEYWDS 2 SPECTROSCOPY EXPDTA SOLUTION NMR AUTHOR S.WILKENS,S.D.DUNN,J.CHANDLER,F.W.DAHLQUIST,R.A.CAPALDI REVDAT 3 19-MAY-09 1ABV 1 REMARK REVDAT 2 24-FEB-09 1ABV 1 VERSN REVDAT 1 07-JUL-97 1ABV 0 JRNL AUTH S.WILKENS,S.D.DUNN,J.CHANDLER,F.W.DAHLQUIST, JRNL AUTH 2 R.A.CAPALDI JRNL TITL SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE JRNL TITL 2 DELTA SUBUNIT OF THE E. COLI ATPSYNTHASE. JRNL REF NAT.STRUCT.BIOL. V. 4 198 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9164460 JRNL DOI 10.1038/NSB0397-198 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. THIS ENTRY CONTAINS THE MINIMIZED REMARK 3 AVERAGE OVER 30 FILES. THE AVERAGE RMS DIFFERENCE TO THE MEAN REMARK 3 STRUCTURE FOR NON-HYDROGEN ATOMS IS 1.25067. THE AVERAGE RMS REMARK 3 DIFFERENCE TO THE MEAN STRUCTURE FOR THE BACKBONE IS 0.795004. REMARK 3 THE B VALUE FIELD (COLUMNS 61 =66) CONTAINS THE RMS DIFFERENCE REMARK 3 FROM THE MEAN. REMARK 4 REMARK 4 1ABV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D NOESY-HSMQC; 3D TOCSY- REMARK 210 HSMQC; 3D C(CO)NH; 3D H(CCO) REMARK 210 NH; SIMULTANEOUS 13C/15N REMARK 210 RESOLVED NOESY; VARIOUS 2D REMARK 210 EXPERIMENTS REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : GE; UNITY REMARK 210 SPECTROMETER MANUFACTURER : GENERAL ELECTRIC; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DG, SA, MD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 106 REMARK 465 GLU A 107 REMARK 465 VAL A 108 REMARK 465 ASP A 109 REMARK 465 VAL A 110 REMARK 465 ILE A 111 REMARK 465 SER A 112 REMARK 465 ALA A 113 REMARK 465 ALA A 114 REMARK 465 ALA A 115 REMARK 465 LEU A 116 REMARK 465 SER A 117 REMARK 465 GLU A 118 REMARK 465 GLN A 119 REMARK 465 GLN A 120 REMARK 465 LEU A 121 REMARK 465 ALA A 122 REMARK 465 LYS A 123 REMARK 465 ILE A 124 REMARK 465 SER A 125 REMARK 465 ALA A 126 REMARK 465 ALA A 127 REMARK 465 MET A 128 REMARK 465 GLU A 129 REMARK 465 LYS A 130 REMARK 465 ARG A 131 REMARK 465 LEU A 132 REMARK 465 SER A 133 REMARK 465 ARG A 134 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 ALA A 87 37.02 -81.00 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 8 0.30 SIDE_CHAIN REMARK 500 ARG A 26 0.28 SIDE_CHAIN REMARK 500 ARG A 77 0.32 SIDE_CHAIN REMARK 500 ARG A 84 0.31 SIDE_CHAIN REMARK 500 ARG A 99 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1ABV A 1 134 UNP P0ABA4 ATPD_ECOLI 2 135 SEQRES 1 A 134 SER GLU PHE ILE THR VAL ALA ARG PRO TYR ALA LYS ALA SEQRES 2 A 134 ALA PHE ASP PHE ALA VAL GLU HIS GLN SER VAL GLU ARG SEQRES 3 A 134 TRP GLN ASP MET LEU ALA PHE ALA ALA GLU VAL THR LYS SEQRES 4 A 134 ASN GLU GLN MET ALA GLU LEU LEU SER GLY ALA LEU ALA SEQRES 5 A 134 PRO GLU THR LEU ALA GLU SER PHE ILE ALA VAL CYS GLY SEQRES 6 A 134 GLU GLN LEU ASP GLU ASN GLY GLN ASN LEU ILE ARG VAL SEQRES 7 A 134 MET ALA GLU ASN GLY ARG LEU ASN ALA LEU PRO ASP VAL SEQRES 8 A 134 LEU GLU GLN PHE ILE HIS LEU ARG ALA VAL SER GLU ALA SEQRES 9 A 134 THR ALA GLU VAL ASP VAL ILE SER ALA ALA ALA LEU SER SEQRES 10 A 134 GLU GLN GLN LEU ALA LYS ILE SER ALA ALA MET GLU LYS SEQRES 11 A 134 ARG LEU SER ARG HELIX 1 1 ILE A 4 GLU A 20 1 17 HELIX 2 2 VAL A 24 THR A 38 1 15 HELIX 3 3 GLU A 41 LEU A 47 1 7 HELIX 4 4 PRO A 53 CYS A 64 1 12 HELIX 5 5 GLU A 70 GLU A 81 1 12 HELIX 6 6 LEU A 88 GLU A 103 1 16 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 1 SER N :NH3+ 146:sc= 1.07 (180deg=-1.27) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0897 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 10 TYR OH : rot 120:sc= -4.05! USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= 0.279 (180deg=-1.57!) USER MOD Single : A 21 HIS : no HD1:sc=-0.00231 X(o=-0.0023,f=-0.38) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.47! C(o=-3.5!,f=-8.2!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -83:sc= -0.203 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.867 (180deg=0.635) USER MOD Single : A 40 ASN : amide:sc= -1.36 K(o=-1.4,f=-8.4!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 MET CE :methyl 155:sc= -2.82 (180deg=-3.66!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 73 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.4!) USER MOD Single : A 74 ASN : amide:sc= -0.0893 K(o=-0.089,f=-0.6) USER MOD Single : A 79 MET CE :methyl -135:sc= -0.759 (180deg=-1.99) USER MOD Single : A 82 ASN : amide:sc= 1.08 K(o=1.1,f=-0.072) USER MOD Single : A 86 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.82) USER MOD Single : A 94 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.15) USER MOD Single : A 97 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -15:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.214 15.958 -5.130 1.00 4.13 N ATOM 2 CA SER A 1 -4.552 15.675 -3.697 1.00 3.49 C ATOM 3 C SER A 1 -3.802 14.421 -3.245 1.00 2.52 C ATOM 4 O SER A 1 -4.377 13.361 -3.077 1.00 2.83 O ATOM 5 CB SER A 1 -6.067 15.474 -3.552 1.00 4.04 C ATOM 6 OG SER A 1 -6.745 16.414 -4.386 1.00 4.42 O ATOM 0 H1 SER A 1 -5.043 16.365 -5.608 1.00 4.13 H new ATOM 0 H2 SER A 1 -3.423 16.632 -5.174 1.00 4.13 H new ATOM 0 H3 SER A 1 -3.941 15.073 -5.604 1.00 4.13 H new ATOM 0 HA SER A 1 -4.253 16.516 -3.072 1.00 3.49 H new ATOM 0 HB2 SER A 1 -6.340 14.457 -3.833 1.00 4.04 H new ATOM 0 HB3 SER A 1 -6.366 15.609 -2.513 1.00 4.04 H new ATOM 0 HG SER A 1 -7.713 16.290 -4.299 1.00 4.42 H new ATOM 14 N GLU A 2 -2.514 14.541 -3.084 1.00 2.03 N ATOM 15 CA GLU A 2 -1.672 13.373 -2.691 1.00 1.73 C ATOM 16 C GLU A 2 -1.361 13.418 -1.183 1.00 1.52 C ATOM 17 O GLU A 2 -1.617 14.405 -0.512 1.00 1.94 O ATOM 18 CB GLU A 2 -0.369 13.434 -3.502 1.00 2.43 C ATOM 19 CG GLU A 2 -0.669 13.287 -5.013 1.00 3.10 C ATOM 20 CD GLU A 2 -1.602 14.405 -5.508 1.00 3.61 C ATOM 21 OE1 GLU A 2 -1.271 15.567 -5.329 1.00 4.24 O ATOM 22 OE2 GLU A 2 -2.653 14.085 -6.044 1.00 3.86 O ATOM 0 H GLU A 2 -1.999 15.413 -3.210 1.00 2.03 H new ATOM 0 HA GLU A 2 -2.203 12.443 -2.896 1.00 1.73 H new ATOM 0 HB2 GLU A 2 0.139 14.380 -3.316 1.00 2.43 H new ATOM 0 HB3 GLU A 2 0.306 12.641 -3.179 1.00 2.43 H new ATOM 0 HG2 GLU A 2 0.264 13.313 -5.576 1.00 3.10 H new ATOM 0 HG3 GLU A 2 -1.128 12.317 -5.202 1.00 3.10 H new ATOM 29 N PHE A 3 -0.812 12.355 -0.649 1.00 1.15 N ATOM 30 CA PHE A 3 -0.483 12.321 0.812 1.00 1.09 C ATOM 31 C PHE A 3 0.880 11.634 1.031 1.00 0.96 C ATOM 32 O PHE A 3 1.058 10.851 1.953 1.00 0.92 O ATOM 33 CB PHE A 3 -1.594 11.562 1.551 1.00 1.16 C ATOM 34 CG PHE A 3 -2.286 12.498 2.513 1.00 1.57 C ATOM 35 CD1 PHE A 3 -1.737 12.728 3.779 1.00 2.39 C ATOM 36 CD2 PHE A 3 -3.472 13.139 2.138 1.00 2.08 C ATOM 37 CE1 PHE A 3 -2.374 13.598 4.671 1.00 2.99 C ATOM 38 CE2 PHE A 3 -4.110 14.010 3.030 1.00 2.76 C ATOM 39 CZ PHE A 3 -3.561 14.239 4.297 1.00 3.00 C ATOM 0 H PHE A 3 -0.576 11.506 -1.163 1.00 1.15 H new ATOM 0 HA PHE A 3 -0.417 13.337 1.202 1.00 1.09 H new ATOM 0 HB2 PHE A 3 -2.313 11.160 0.837 1.00 1.16 H new ATOM 0 HB3 PHE A 3 -1.173 10.714 2.091 1.00 1.16 H new ATOM 0 HD1 PHE A 3 -0.821 12.234 4.068 1.00 2.39 H new ATOM 0 HD2 PHE A 3 -3.895 12.962 1.160 1.00 2.08 H new ATOM 0 HE1 PHE A 3 -1.950 13.775 5.648 1.00 2.99 H new ATOM 0 HE2 PHE A 3 -5.025 14.505 2.740 1.00 2.76 H new ATOM 0 HZ PHE A 3 -4.053 14.910 4.986 1.00 3.00 H new ATOM 49 N ILE A 4 1.841 11.927 0.185 1.00 1.01 N ATOM 50 CA ILE A 4 3.206 11.302 0.307 1.00 0.98 C ATOM 51 C ILE A 4 3.723 11.362 1.756 1.00 0.94 C ATOM 52 O ILE A 4 4.345 10.428 2.227 1.00 0.85 O ATOM 53 CB ILE A 4 4.194 12.019 -0.627 1.00 1.19 C ATOM 54 CG1 ILE A 4 4.140 13.534 -0.397 1.00 1.25 C ATOM 55 CG2 ILE A 4 3.827 11.722 -2.083 1.00 1.74 C ATOM 56 CD1 ILE A 4 5.434 13.995 0.275 1.00 1.48 C ATOM 0 H ILE A 4 1.740 12.578 -0.593 1.00 1.01 H new ATOM 0 HA ILE A 4 3.124 10.254 0.019 1.00 0.98 H new ATOM 0 HB ILE A 4 5.201 11.660 -0.415 1.00 1.19 H new ATOM 0 HG12 ILE A 4 4.007 14.052 -1.347 1.00 1.25 H new ATOM 0 HG13 ILE A 4 3.283 13.787 0.227 1.00 1.25 H new ATOM 0 HG21 ILE A 4 4.527 12.230 -2.746 1.00 1.74 H new ATOM 0 HG22 ILE A 4 3.876 10.647 -2.259 1.00 1.74 H new ATOM 0 HG23 ILE A 4 2.816 12.077 -2.283 1.00 1.74 H new ATOM 0 HD11 ILE A 4 5.395 15.072 0.438 1.00 1.48 H new ATOM 0 HD12 ILE A 4 5.548 13.487 1.232 1.00 1.48 H new ATOM 0 HD13 ILE A 4 6.282 13.755 -0.366 1.00 1.48 H new ATOM 68 N THR A 5 3.468 12.438 2.467 1.00 1.10 N ATOM 69 CA THR A 5 3.939 12.542 3.894 1.00 1.19 C ATOM 70 C THR A 5 3.460 11.318 4.686 1.00 1.06 C ATOM 71 O THR A 5 4.186 10.770 5.493 1.00 1.05 O ATOM 72 CB THR A 5 3.376 13.815 4.540 1.00 1.49 C ATOM 73 OG1 THR A 5 3.529 14.907 3.645 1.00 1.76 O ATOM 74 CG2 THR A 5 4.132 14.114 5.833 1.00 1.66 C ATOM 0 H THR A 5 2.955 13.250 2.123 1.00 1.10 H new ATOM 0 HA THR A 5 5.028 12.583 3.905 1.00 1.19 H new ATOM 0 HB THR A 5 2.319 13.668 4.763 1.00 1.49 H new ATOM 0 HG1 THR A 5 3.168 15.720 4.056 1.00 1.76 H new ATOM 0 HG21 THR A 5 3.730 15.019 6.289 1.00 1.66 H new ATOM 0 HG22 THR A 5 4.018 13.278 6.523 1.00 1.66 H new ATOM 0 HG23 THR A 5 5.189 14.259 5.611 1.00 1.66 H new ATOM 82 N VAL A 6 2.247 10.879 4.443 1.00 1.03 N ATOM 83 CA VAL A 6 1.708 9.677 5.159 1.00 1.02 C ATOM 84 C VAL A 6 2.331 8.404 4.559 1.00 0.83 C ATOM 85 O VAL A 6 2.637 7.463 5.264 1.00 0.90 O ATOM 86 CB VAL A 6 0.177 9.641 5.002 1.00 1.12 C ATOM 87 CG1 VAL A 6 -0.356 8.234 5.288 1.00 1.33 C ATOM 88 CG2 VAL A 6 -0.457 10.617 5.993 1.00 1.44 C ATOM 0 H VAL A 6 1.603 11.304 3.776 1.00 1.03 H new ATOM 0 HA VAL A 6 1.960 9.730 6.218 1.00 1.02 H new ATOM 0 HB VAL A 6 -0.076 9.921 3.979 1.00 1.12 H new ATOM 0 HG11 VAL A 6 -1.440 8.225 5.173 1.00 1.33 H new ATOM 0 HG12 VAL A 6 0.089 7.527 4.588 1.00 1.33 H new ATOM 0 HG13 VAL A 6 -0.097 7.947 6.307 1.00 1.33 H new ATOM 0 HG21 VAL A 6 -1.541 10.593 5.884 1.00 1.44 H new ATOM 0 HG22 VAL A 6 -0.188 10.329 7.009 1.00 1.44 H new ATOM 0 HG23 VAL A 6 -0.094 11.625 5.793 1.00 1.44 H new ATOM 98 N ALA A 7 2.521 8.376 3.263 1.00 0.68 N ATOM 99 CA ALA A 7 3.124 7.174 2.601 1.00 0.56 C ATOM 100 C ALA A 7 4.621 7.052 2.942 1.00 0.53 C ATOM 101 O ALA A 7 5.154 5.959 3.005 1.00 0.53 O ATOM 102 CB ALA A 7 2.961 7.313 1.088 1.00 0.55 C ATOM 0 H ALA A 7 2.283 9.139 2.629 1.00 0.68 H new ATOM 0 HA ALA A 7 2.615 6.280 2.960 1.00 0.56 H new ATOM 0 HB1 ALA A 7 3.396 6.444 0.594 1.00 0.55 H new ATOM 0 HB2 ALA A 7 1.901 7.379 0.841 1.00 0.55 H new ATOM 0 HB3 ALA A 7 3.469 8.216 0.749 1.00 0.55 H new ATOM 108 N ARG A 8 5.297 8.164 3.143 1.00 0.63 N ATOM 109 CA ARG A 8 6.767 8.140 3.467 1.00 0.67 C ATOM 110 C ARG A 8 7.099 7.022 4.481 1.00 0.66 C ATOM 111 O ARG A 8 7.893 6.153 4.178 1.00 0.63 O ATOM 112 CB ARG A 8 7.185 9.502 4.037 1.00 0.82 C ATOM 113 CG ARG A 8 7.705 10.394 2.906 1.00 0.98 C ATOM 114 CD ARG A 8 8.257 11.694 3.496 1.00 1.37 C ATOM 115 NE ARG A 8 9.663 11.891 3.022 1.00 1.74 N ATOM 116 CZ ARG A 8 10.052 13.048 2.599 1.00 2.08 C ATOM 117 NH1 ARG A 8 9.669 13.467 1.441 1.00 2.67 N ATOM 118 NH2 ARG A 8 10.823 13.775 3.334 1.00 2.57 N ATOM 0 H ARG A 8 4.889 9.098 3.096 1.00 0.63 H new ATOM 0 HA ARG A 8 7.319 7.937 2.550 1.00 0.67 H new ATOM 0 HB2 ARG A 8 6.336 9.978 4.528 1.00 0.82 H new ATOM 0 HB3 ARG A 8 7.958 9.369 4.794 1.00 0.82 H new ATOM 0 HG2 ARG A 8 8.485 9.875 2.348 1.00 0.98 H new ATOM 0 HG3 ARG A 8 6.902 10.613 2.203 1.00 0.98 H new ATOM 0 HD2 ARG A 8 7.637 12.537 3.193 1.00 1.37 H new ATOM 0 HD3 ARG A 8 8.230 11.654 4.585 1.00 1.37 H new ATOM 0 HE ARG A 8 10.317 11.108 3.033 1.00 1.74 H new ATOM 0 HH11 ARG A 8 9.062 12.886 0.864 1.00 2.67 H new ATOM 0 HH12 ARG A 8 9.973 14.380 1.103 1.00 2.67 H new ATOM 0 HH21 ARG A 8 11.125 13.436 4.248 1.00 2.57 H new ATOM 0 HH22 ARG A 8 11.131 14.689 3.002 1.00 2.57 H new ATOM 132 N PRO A 9 6.486 7.068 5.650 1.00 0.72 N ATOM 133 CA PRO A 9 6.719 6.053 6.704 1.00 0.77 C ATOM 134 C PRO A 9 6.052 4.716 6.341 1.00 0.72 C ATOM 135 O PRO A 9 6.624 3.662 6.545 1.00 0.82 O ATOM 136 CB PRO A 9 6.091 6.678 7.954 1.00 0.91 C ATOM 137 CG PRO A 9 5.068 7.722 7.452 1.00 0.92 C ATOM 138 CD PRO A 9 5.507 8.113 6.028 1.00 0.80 C ATOM 0 HA PRO A 9 7.774 5.817 6.843 1.00 0.77 H new ATOM 0 HB2 PRO A 9 5.603 5.918 8.565 1.00 0.91 H new ATOM 0 HB3 PRO A 9 6.852 7.148 8.577 1.00 0.91 H new ATOM 0 HG2 PRO A 9 4.060 7.307 7.447 1.00 0.92 H new ATOM 0 HG3 PRO A 9 5.050 8.594 8.106 1.00 0.92 H new ATOM 0 HD2 PRO A 9 4.661 8.133 5.342 1.00 0.80 H new ATOM 0 HD3 PRO A 9 5.957 9.106 6.008 1.00 0.80 H new ATOM 146 N TYR A 10 4.857 4.754 5.794 1.00 0.63 N ATOM 147 CA TYR A 10 4.152 3.487 5.402 1.00 0.63 C ATOM 148 C TYR A 10 5.031 2.694 4.421 1.00 0.58 C ATOM 149 O TYR A 10 5.271 1.514 4.603 1.00 0.79 O ATOM 150 CB TYR A 10 2.816 3.833 4.731 1.00 0.63 C ATOM 151 CG TYR A 10 1.740 3.990 5.780 1.00 0.62 C ATOM 152 CD1 TYR A 10 1.778 5.071 6.669 1.00 1.31 C ATOM 153 CD2 TYR A 10 0.699 3.060 5.859 1.00 1.31 C ATOM 154 CE1 TYR A 10 0.777 5.220 7.636 1.00 1.31 C ATOM 155 CE2 TYR A 10 -0.303 3.211 6.826 1.00 1.37 C ATOM 156 CZ TYR A 10 -0.263 4.291 7.713 1.00 0.73 C ATOM 157 OH TYR A 10 -1.249 4.441 8.662 1.00 0.84 O ATOM 0 H TYR A 10 4.338 5.611 5.602 1.00 0.63 H new ATOM 0 HA TYR A 10 3.966 2.883 6.290 1.00 0.63 H new ATOM 0 HB2 TYR A 10 2.915 4.755 4.158 1.00 0.63 H new ATOM 0 HB3 TYR A 10 2.538 3.048 4.027 1.00 0.63 H new ATOM 0 HD1 TYR A 10 2.581 5.791 6.609 1.00 1.31 H new ATOM 0 HD2 TYR A 10 0.667 2.225 5.174 1.00 1.31 H new ATOM 0 HE1 TYR A 10 0.809 6.053 8.322 1.00 1.31 H new ATOM 0 HE2 TYR A 10 -1.107 2.493 6.886 1.00 1.37 H new ATOM 0 HH TYR A 10 -2.118 4.532 8.219 1.00 0.84 H new ATOM 167 N ALA A 11 5.524 3.344 3.393 1.00 0.45 N ATOM 168 CA ALA A 11 6.405 2.650 2.404 1.00 0.48 C ATOM 169 C ALA A 11 7.774 2.375 3.046 1.00 0.44 C ATOM 170 O ALA A 11 8.352 1.321 2.856 1.00 0.44 O ATOM 171 CB ALA A 11 6.584 3.542 1.169 1.00 0.56 C ATOM 0 H ALA A 11 5.352 4.330 3.197 1.00 0.45 H new ATOM 0 HA ALA A 11 5.949 1.706 2.106 1.00 0.48 H new ATOM 0 HB1 ALA A 11 7.226 3.038 0.446 1.00 0.56 H new ATOM 0 HB2 ALA A 11 5.612 3.737 0.717 1.00 0.56 H new ATOM 0 HB3 ALA A 11 7.042 4.486 1.465 1.00 0.56 H new ATOM 177 N LYS A 12 8.288 3.318 3.805 1.00 0.50 N ATOM 178 CA LYS A 12 9.620 3.130 4.473 1.00 0.48 C ATOM 179 C LYS A 12 9.577 1.897 5.390 1.00 0.47 C ATOM 180 O LYS A 12 10.318 0.951 5.194 1.00 0.54 O ATOM 181 CB LYS A 12 9.958 4.383 5.308 1.00 0.56 C ATOM 182 CG LYS A 12 11.474 4.471 5.568 1.00 1.10 C ATOM 183 CD LYS A 12 11.959 3.209 6.302 1.00 1.41 C ATOM 184 CE LYS A 12 12.950 3.569 7.416 1.00 2.03 C ATOM 185 NZ LYS A 12 14.165 2.707 7.310 1.00 2.67 N ATOM 0 H LYS A 12 7.839 4.215 3.991 1.00 0.50 H new ATOM 0 HA LYS A 12 10.385 2.982 3.711 1.00 0.48 H new ATOM 0 HB2 LYS A 12 9.621 5.277 4.784 1.00 0.56 H new ATOM 0 HB3 LYS A 12 9.423 4.349 6.257 1.00 0.56 H new ATOM 0 HG2 LYS A 12 12.007 4.579 4.623 1.00 1.10 H new ATOM 0 HG3 LYS A 12 11.698 5.356 6.164 1.00 1.10 H new ATOM 0 HD2 LYS A 12 11.106 2.680 6.726 1.00 1.41 H new ATOM 0 HD3 LYS A 12 12.434 2.531 5.593 1.00 1.41 H new ATOM 0 HE2 LYS A 12 13.230 4.620 7.340 1.00 2.03 H new ATOM 0 HE3 LYS A 12 12.481 3.434 8.390 1.00 2.03 H new ATOM 0 HZ1 LYS A 12 14.364 2.273 8.234 1.00 2.67 H new ATOM 0 HZ2 LYS A 12 14.000 1.960 6.605 1.00 2.67 H new ATOM 0 HZ3 LYS A 12 14.977 3.287 7.017 1.00 2.67 H new ATOM 199 N ALA A 13 8.725 1.913 6.390 1.00 0.49 N ATOM 200 CA ALA A 13 8.632 0.758 7.343 1.00 0.51 C ATOM 201 C ALA A 13 8.403 -0.554 6.575 1.00 0.48 C ATOM 202 O ALA A 13 9.040 -1.556 6.841 1.00 0.52 O ATOM 203 CB ALA A 13 7.470 1.001 8.313 1.00 0.57 C ATOM 0 H ALA A 13 8.085 2.682 6.588 1.00 0.49 H new ATOM 0 HA ALA A 13 9.566 0.675 7.898 1.00 0.51 H new ATOM 0 HB1 ALA A 13 7.396 0.165 9.009 1.00 0.57 H new ATOM 0 HB2 ALA A 13 7.647 1.922 8.869 1.00 0.57 H new ATOM 0 HB3 ALA A 13 6.540 1.089 7.752 1.00 0.57 H new ATOM 209 N ALA A 14 7.501 -0.554 5.626 1.00 0.45 N ATOM 210 CA ALA A 14 7.234 -1.796 4.838 1.00 0.46 C ATOM 211 C ALA A 14 8.479 -2.163 4.004 1.00 0.46 C ATOM 212 O ALA A 14 8.809 -3.325 3.853 1.00 0.60 O ATOM 213 CB ALA A 14 6.032 -1.558 3.921 1.00 0.47 C ATOM 0 H ALA A 14 6.937 0.254 5.362 1.00 0.45 H new ATOM 0 HA ALA A 14 7.013 -2.622 5.514 1.00 0.46 H new ATOM 0 HB1 ALA A 14 5.831 -2.460 3.343 1.00 0.47 H new ATOM 0 HB2 ALA A 14 5.158 -1.311 4.524 1.00 0.47 H new ATOM 0 HB3 ALA A 14 6.250 -0.733 3.243 1.00 0.47 H new ATOM 219 N PHE A 15 9.176 -1.181 3.477 1.00 0.41 N ATOM 220 CA PHE A 15 10.406 -1.462 2.666 1.00 0.42 C ATOM 221 C PHE A 15 11.491 -2.086 3.560 1.00 0.42 C ATOM 222 O PHE A 15 12.136 -3.045 3.171 1.00 0.49 O ATOM 223 CB PHE A 15 10.924 -0.154 2.058 1.00 0.45 C ATOM 224 CG PHE A 15 12.100 -0.442 1.153 1.00 0.48 C ATOM 225 CD1 PHE A 15 11.894 -1.040 -0.095 1.00 1.32 C ATOM 226 CD2 PHE A 15 13.396 -0.108 1.562 1.00 1.33 C ATOM 227 CE1 PHE A 15 12.983 -1.305 -0.933 1.00 1.43 C ATOM 228 CE2 PHE A 15 14.484 -0.373 0.724 1.00 1.39 C ATOM 229 CZ PHE A 15 14.278 -0.971 -0.523 1.00 0.84 C ATOM 0 H PHE A 15 8.944 -0.193 3.575 1.00 0.41 H new ATOM 0 HA PHE A 15 10.160 -2.162 1.867 1.00 0.42 H new ATOM 0 HB2 PHE A 15 10.130 0.335 1.494 1.00 0.45 H new ATOM 0 HB3 PHE A 15 11.222 0.533 2.850 1.00 0.45 H new ATOM 0 HD1 PHE A 15 10.894 -1.297 -0.412 1.00 1.32 H new ATOM 0 HD2 PHE A 15 13.556 0.354 2.525 1.00 1.33 H new ATOM 0 HE1 PHE A 15 12.824 -1.767 -1.896 1.00 1.43 H new ATOM 0 HE2 PHE A 15 15.484 -0.116 1.040 1.00 1.39 H new ATOM 0 HZ PHE A 15 15.119 -1.175 -1.170 1.00 0.84 H new ATOM 239 N ASP A 16 11.688 -1.557 4.752 1.00 0.44 N ATOM 240 CA ASP A 16 12.723 -2.121 5.687 1.00 0.47 C ATOM 241 C ASP A 16 12.561 -3.642 5.777 1.00 0.47 C ATOM 242 O ASP A 16 13.386 -4.407 5.299 1.00 0.51 O ATOM 243 CB ASP A 16 12.518 -1.534 7.095 1.00 0.51 C ATOM 244 CG ASP A 16 12.926 -0.075 7.147 1.00 0.74 C ATOM 245 OD1 ASP A 16 13.918 0.281 6.530 1.00 1.51 O ATOM 246 OD2 ASP A 16 12.249 0.680 7.818 1.00 1.23 O ATOM 0 H ASP A 16 11.174 -0.756 5.118 1.00 0.44 H new ATOM 0 HA ASP A 16 13.714 -1.868 5.311 1.00 0.47 H new ATOM 0 HB2 ASP A 16 11.471 -1.632 7.384 1.00 0.51 H new ATOM 0 HB3 ASP A 16 13.102 -2.103 7.818 1.00 0.51 H new ATOM 251 N PHE A 17 11.485 -4.069 6.390 1.00 0.46 N ATOM 252 CA PHE A 17 11.203 -5.526 6.547 1.00 0.48 C ATOM 253 C PHE A 17 11.176 -6.202 5.160 1.00 0.44 C ATOM 254 O PHE A 17 11.635 -7.320 5.001 1.00 0.47 O ATOM 255 CB PHE A 17 9.861 -5.685 7.296 1.00 0.53 C ATOM 256 CG PHE A 17 8.833 -6.381 6.436 1.00 0.49 C ATOM 257 CD1 PHE A 17 8.753 -7.776 6.437 1.00 1.14 C ATOM 258 CD2 PHE A 17 7.966 -5.629 5.637 1.00 1.28 C ATOM 259 CE1 PHE A 17 7.805 -8.422 5.638 1.00 1.15 C ATOM 260 CE2 PHE A 17 7.017 -6.274 4.837 1.00 1.28 C ATOM 261 CZ PHE A 17 6.937 -7.672 4.837 1.00 0.50 C ATOM 0 H PHE A 17 10.778 -3.456 6.795 1.00 0.46 H new ATOM 0 HA PHE A 17 11.985 -6.014 7.129 1.00 0.48 H new ATOM 0 HB2 PHE A 17 10.018 -6.255 8.212 1.00 0.53 H new ATOM 0 HB3 PHE A 17 9.488 -4.704 7.591 1.00 0.53 H new ATOM 0 HD1 PHE A 17 9.423 -8.355 7.055 1.00 1.14 H new ATOM 0 HD2 PHE A 17 8.029 -4.551 5.638 1.00 1.28 H new ATOM 0 HE1 PHE A 17 7.743 -9.500 5.639 1.00 1.15 H new ATOM 0 HE2 PHE A 17 6.347 -5.694 4.220 1.00 1.28 H new ATOM 0 HZ PHE A 17 6.205 -8.171 4.219 1.00 0.50 H new ATOM 271 N ALA A 18 10.665 -5.524 4.150 1.00 0.39 N ATOM 272 CA ALA A 18 10.639 -6.116 2.773 1.00 0.37 C ATOM 273 C ALA A 18 12.074 -6.499 2.369 1.00 0.36 C ATOM 274 O ALA A 18 12.298 -7.521 1.740 1.00 0.37 O ATOM 275 CB ALA A 18 10.074 -5.090 1.784 1.00 0.34 C ATOM 0 H ALA A 18 10.266 -4.588 4.224 1.00 0.39 H new ATOM 0 HA ALA A 18 10.006 -7.004 2.761 1.00 0.37 H new ATOM 0 HB1 ALA A 18 10.056 -5.521 0.783 1.00 0.34 H new ATOM 0 HB2 ALA A 18 9.061 -4.818 2.081 1.00 0.34 H new ATOM 0 HB3 ALA A 18 10.703 -4.200 1.784 1.00 0.34 H new ATOM 281 N VAL A 19 13.043 -5.692 2.749 1.00 0.38 N ATOM 282 CA VAL A 19 14.472 -6.004 2.425 1.00 0.40 C ATOM 283 C VAL A 19 14.947 -7.137 3.348 1.00 0.49 C ATOM 284 O VAL A 19 15.473 -8.135 2.890 1.00 0.61 O ATOM 285 CB VAL A 19 15.339 -4.751 2.641 1.00 0.39 C ATOM 286 CG1 VAL A 19 16.818 -5.112 2.494 1.00 0.44 C ATOM 287 CG2 VAL A 19 14.986 -3.696 1.591 1.00 0.43 C ATOM 0 H VAL A 19 12.901 -4.828 3.272 1.00 0.38 H new ATOM 0 HA VAL A 19 14.561 -6.314 1.384 1.00 0.40 H new ATOM 0 HB VAL A 19 15.152 -4.360 3.641 1.00 0.39 H new ATOM 0 HG11 VAL A 19 17.427 -4.221 2.648 1.00 0.44 H new ATOM 0 HG12 VAL A 19 17.084 -5.866 3.235 1.00 0.44 H new ATOM 0 HG13 VAL A 19 16.999 -5.507 1.494 1.00 0.44 H new ATOM 0 HG21 VAL A 19 15.601 -2.809 1.745 1.00 0.43 H new ATOM 0 HG22 VAL A 19 15.172 -4.098 0.595 1.00 0.43 H new ATOM 0 HG23 VAL A 19 13.933 -3.428 1.684 1.00 0.43 H new ATOM 297 N GLU A 20 14.747 -6.995 4.641 1.00 0.52 N ATOM 298 CA GLU A 20 15.168 -8.064 5.611 1.00 0.63 C ATOM 299 C GLU A 20 14.522 -9.407 5.229 1.00 0.67 C ATOM 300 O GLU A 20 15.172 -10.435 5.203 1.00 1.08 O ATOM 301 CB GLU A 20 14.713 -7.680 7.021 1.00 0.85 C ATOM 302 CG GLU A 20 15.533 -6.487 7.528 1.00 1.34 C ATOM 303 CD GLU A 20 14.887 -5.917 8.792 1.00 1.56 C ATOM 304 OE1 GLU A 20 13.745 -5.494 8.716 1.00 2.15 O ATOM 305 OE2 GLU A 20 15.546 -5.916 9.816 1.00 2.04 O ATOM 0 H GLU A 20 14.308 -6.180 5.069 1.00 0.52 H new ATOM 0 HA GLU A 20 16.253 -8.161 5.581 1.00 0.63 H new ATOM 0 HB2 GLU A 20 13.653 -7.427 7.014 1.00 0.85 H new ATOM 0 HB3 GLU A 20 14.834 -8.528 7.695 1.00 0.85 H new ATOM 0 HG2 GLU A 20 16.555 -6.800 7.740 1.00 1.34 H new ATOM 0 HG3 GLU A 20 15.588 -5.718 6.758 1.00 1.34 H new ATOM 312 N HIS A 21 13.244 -9.395 4.934 1.00 0.71 N ATOM 313 CA HIS A 21 12.529 -10.657 4.548 1.00 0.91 C ATOM 314 C HIS A 21 12.816 -11.024 3.075 1.00 0.95 C ATOM 315 O HIS A 21 12.249 -11.967 2.553 1.00 1.77 O ATOM 316 CB HIS A 21 11.018 -10.449 4.733 1.00 1.14 C ATOM 317 CG HIS A 21 10.637 -10.699 6.166 1.00 1.10 C ATOM 318 ND1 HIS A 21 9.399 -11.207 6.519 1.00 1.19 N ATOM 319 CD2 HIS A 21 11.313 -10.510 7.345 1.00 1.67 C ATOM 320 CE1 HIS A 21 9.370 -11.307 7.861 1.00 1.82 C ATOM 321 NE2 HIS A 21 10.511 -10.895 8.414 1.00 2.22 N ATOM 0 H HIS A 21 12.660 -8.559 4.944 1.00 0.71 H new ATOM 0 HA HIS A 21 12.883 -11.470 5.182 1.00 0.91 H new ATOM 0 HB2 HIS A 21 10.745 -9.433 4.447 1.00 1.14 H new ATOM 0 HB3 HIS A 21 10.467 -11.124 4.078 1.00 1.14 H new ATOM 0 HD2 HIS A 21 12.317 -10.121 7.430 1.00 1.67 H new ATOM 0 HE1 HIS A 21 8.524 -11.676 8.422 1.00 1.82 H new ATOM 0 HE2 HIS A 21 10.745 -10.868 9.406 1.00 2.22 H new ATOM 329 N GLN A 22 13.682 -10.289 2.400 1.00 0.62 N ATOM 330 CA GLN A 22 14.001 -10.591 0.963 1.00 0.67 C ATOM 331 C GLN A 22 12.709 -10.613 0.117 1.00 0.61 C ATOM 332 O GLN A 22 12.647 -11.243 -0.926 1.00 0.81 O ATOM 333 CB GLN A 22 14.713 -11.951 0.879 1.00 0.81 C ATOM 334 CG GLN A 22 16.173 -11.741 0.456 1.00 1.46 C ATOM 335 CD GLN A 22 16.888 -13.090 0.356 1.00 2.03 C ATOM 336 OE1 GLN A 22 17.532 -13.522 1.285 1.00 2.60 O ATOM 337 NE2 GLN A 22 16.807 -13.777 -0.742 1.00 2.67 N ATOM 0 H GLN A 22 14.182 -9.489 2.789 1.00 0.62 H new ATOM 0 HA GLN A 22 14.654 -9.813 0.568 1.00 0.67 H new ATOM 0 HB2 GLN A 22 14.672 -12.455 1.845 1.00 0.81 H new ATOM 0 HB3 GLN A 22 14.205 -12.595 0.162 1.00 0.81 H new ATOM 0 HG2 GLN A 22 16.212 -11.228 -0.505 1.00 1.46 H new ATOM 0 HG3 GLN A 22 16.682 -11.103 1.179 1.00 1.46 H new ATOM 0 HE21 GLN A 22 16.266 -13.419 -1.529 1.00 2.67 H new ATOM 0 HE22 GLN A 22 17.284 -14.675 -0.818 1.00 2.67 H new ATOM 346 N SER A 23 11.682 -9.921 0.553 1.00 0.43 N ATOM 347 CA SER A 23 10.396 -9.896 -0.219 1.00 0.40 C ATOM 348 C SER A 23 10.385 -8.726 -1.216 1.00 0.36 C ATOM 349 O SER A 23 9.598 -8.714 -2.135 1.00 0.36 O ATOM 350 CB SER A 23 9.219 -9.755 0.753 1.00 0.40 C ATOM 351 OG SER A 23 7.997 -9.903 0.035 1.00 0.63 O ATOM 0 H SER A 23 11.678 -9.371 1.412 1.00 0.43 H new ATOM 0 HA SER A 23 10.304 -10.828 -0.776 1.00 0.40 H new ATOM 0 HB2 SER A 23 9.287 -10.509 1.537 1.00 0.40 H new ATOM 0 HB3 SER A 23 9.251 -8.782 1.243 1.00 0.40 H new ATOM 0 HG SER A 23 7.242 -9.815 0.653 1.00 0.63 H new ATOM 357 N VAL A 24 11.246 -7.745 -1.037 1.00 0.34 N ATOM 358 CA VAL A 24 11.295 -6.552 -1.965 1.00 0.32 C ATOM 359 C VAL A 24 10.961 -6.941 -3.421 1.00 0.36 C ATOM 360 O VAL A 24 10.101 -6.338 -4.037 1.00 0.37 O ATOM 361 CB VAL A 24 12.696 -5.928 -1.908 1.00 0.33 C ATOM 362 CG1 VAL A 24 12.827 -4.831 -2.966 1.00 0.33 C ATOM 363 CG2 VAL A 24 12.923 -5.311 -0.529 1.00 0.34 C ATOM 0 H VAL A 24 11.927 -7.717 -0.278 1.00 0.34 H new ATOM 0 HA VAL A 24 10.544 -5.835 -1.634 1.00 0.32 H new ATOM 0 HB VAL A 24 13.435 -6.706 -2.097 1.00 0.33 H new ATOM 0 HG11 VAL A 24 13.825 -4.395 -2.917 1.00 0.33 H new ATOM 0 HG12 VAL A 24 12.667 -5.259 -3.956 1.00 0.33 H new ATOM 0 HG13 VAL A 24 12.083 -4.056 -2.781 1.00 0.33 H new ATOM 0 HG21 VAL A 24 13.918 -4.868 -0.488 1.00 0.34 H new ATOM 0 HG22 VAL A 24 12.174 -4.540 -0.348 1.00 0.34 H new ATOM 0 HG23 VAL A 24 12.839 -6.085 0.234 1.00 0.34 H new ATOM 373 N GLU A 25 11.632 -7.926 -3.971 1.00 0.40 N ATOM 374 CA GLU A 25 11.351 -8.342 -5.388 1.00 0.45 C ATOM 375 C GLU A 25 9.872 -8.747 -5.541 1.00 0.46 C ATOM 376 O GLU A 25 9.177 -8.268 -6.419 1.00 0.48 O ATOM 377 CB GLU A 25 12.260 -9.521 -5.761 1.00 0.52 C ATOM 378 CG GLU A 25 13.689 -9.007 -6.017 1.00 0.89 C ATOM 379 CD GLU A 25 13.855 -8.527 -7.467 1.00 1.51 C ATOM 380 OE1 GLU A 25 12.956 -7.864 -7.971 1.00 2.06 O ATOM 381 OE2 GLU A 25 14.898 -8.799 -8.039 1.00 2.15 O ATOM 0 H GLU A 25 12.363 -8.461 -3.502 1.00 0.40 H new ATOM 0 HA GLU A 25 11.552 -7.504 -6.055 1.00 0.45 H new ATOM 0 HB2 GLU A 25 12.266 -10.258 -4.958 1.00 0.52 H new ATOM 0 HB3 GLU A 25 11.877 -10.022 -6.650 1.00 0.52 H new ATOM 0 HG2 GLU A 25 13.912 -8.189 -5.332 1.00 0.89 H new ATOM 0 HG3 GLU A 25 14.407 -9.801 -5.809 1.00 0.89 H new ATOM 388 N ARG A 26 9.384 -9.611 -4.683 1.00 0.47 N ATOM 389 CA ARG A 26 7.949 -10.038 -4.767 1.00 0.50 C ATOM 390 C ARG A 26 7.031 -8.909 -4.260 1.00 0.46 C ATOM 391 O ARG A 26 5.979 -8.657 -4.818 1.00 0.51 O ATOM 392 CB ARG A 26 7.746 -11.295 -3.911 1.00 0.54 C ATOM 393 CG ARG A 26 6.572 -12.108 -4.465 1.00 0.98 C ATOM 394 CD ARG A 26 7.030 -12.893 -5.695 1.00 1.50 C ATOM 395 NE ARG A 26 6.440 -14.266 -5.647 1.00 2.09 N ATOM 396 CZ ARG A 26 5.630 -14.660 -6.575 1.00 2.85 C ATOM 397 NH1 ARG A 26 4.495 -14.064 -6.734 1.00 3.56 N ATOM 398 NH2 ARG A 26 5.962 -15.642 -7.341 1.00 3.43 N ATOM 0 H ARG A 26 9.917 -10.040 -3.927 1.00 0.47 H new ATOM 0 HA ARG A 26 7.697 -10.256 -5.805 1.00 0.50 H new ATOM 0 HB2 ARG A 26 8.653 -11.899 -3.913 1.00 0.54 H new ATOM 0 HB3 ARG A 26 7.552 -11.015 -2.876 1.00 0.54 H new ATOM 0 HG2 ARG A 26 6.198 -12.792 -3.703 1.00 0.98 H new ATOM 0 HG3 ARG A 26 5.749 -11.444 -4.730 1.00 0.98 H new ATOM 0 HD2 ARG A 26 6.718 -12.381 -6.605 1.00 1.50 H new ATOM 0 HD3 ARG A 26 8.118 -12.952 -5.720 1.00 1.50 H new ATOM 0 HE ARG A 26 6.677 -14.894 -4.879 1.00 2.09 H new ATOM 0 HH11 ARG A 26 4.239 -13.284 -6.128 1.00 3.56 H new ATOM 0 HH12 ARG A 26 3.855 -14.373 -7.465 1.00 3.56 H new ATOM 0 HH21 ARG A 26 6.861 -16.106 -7.214 1.00 3.43 H new ATOM 0 HH22 ARG A 26 5.325 -15.955 -8.074 1.00 3.43 H new ATOM 412 N TRP A 27 7.430 -8.228 -3.213 1.00 0.42 N ATOM 413 CA TRP A 27 6.607 -7.105 -2.655 1.00 0.42 C ATOM 414 C TRP A 27 6.382 -6.034 -3.740 1.00 0.43 C ATOM 415 O TRP A 27 5.364 -5.365 -3.756 1.00 0.51 O ATOM 416 CB TRP A 27 7.349 -6.500 -1.453 1.00 0.44 C ATOM 417 CG TRP A 27 6.463 -5.532 -0.729 1.00 0.48 C ATOM 418 CD1 TRP A 27 5.165 -5.747 -0.411 1.00 0.85 C ATOM 419 CD2 TRP A 27 6.795 -4.208 -0.221 1.00 0.44 C ATOM 420 NE1 TRP A 27 4.676 -4.631 0.249 1.00 1.03 N ATOM 421 CE2 TRP A 27 5.644 -3.658 0.391 1.00 0.75 C ATOM 422 CE3 TRP A 27 7.971 -3.436 -0.236 1.00 0.48 C ATOM 423 CZ2 TRP A 27 5.660 -2.390 0.965 1.00 0.80 C ATOM 424 CZ3 TRP A 27 7.991 -2.158 0.343 1.00 0.54 C ATOM 425 CH2 TRP A 27 6.838 -1.635 0.942 1.00 0.57 C ATOM 0 H TRP A 27 8.302 -8.404 -2.714 1.00 0.42 H new ATOM 0 HA TRP A 27 5.635 -7.478 -2.332 1.00 0.42 H new ATOM 0 HB2 TRP A 27 7.664 -7.293 -0.775 1.00 0.44 H new ATOM 0 HB3 TRP A 27 8.252 -5.993 -1.792 1.00 0.44 H new ATOM 0 HD1 TRP A 27 4.603 -6.642 -0.635 1.00 0.85 H new ATOM 0 HE1 TRP A 27 3.718 -4.540 0.588 1.00 1.03 H new ATOM 0 HE3 TRP A 27 8.865 -3.830 -0.697 1.00 0.48 H new ATOM 0 HZ2 TRP A 27 4.768 -1.991 1.426 1.00 0.80 H new ATOM 0 HZ3 TRP A 27 8.900 -1.575 0.327 1.00 0.54 H new ATOM 0 HH2 TRP A 27 6.858 -0.650 1.385 1.00 0.57 H new ATOM 436 N GLN A 28 7.321 -5.885 -4.653 1.00 0.46 N ATOM 437 CA GLN A 28 7.176 -4.879 -5.757 1.00 0.50 C ATOM 438 C GLN A 28 5.784 -5.012 -6.402 1.00 0.48 C ATOM 439 O GLN A 28 5.091 -4.028 -6.610 1.00 0.47 O ATOM 440 CB GLN A 28 8.262 -5.136 -6.810 1.00 0.60 C ATOM 441 CG GLN A 28 8.463 -3.880 -7.673 1.00 1.01 C ATOM 442 CD GLN A 28 9.862 -3.302 -7.442 1.00 1.30 C ATOM 443 OE1 GLN A 28 10.828 -4.026 -7.351 1.00 2.01 O ATOM 444 NE2 GLN A 28 10.015 -2.017 -7.344 1.00 1.50 N ATOM 0 H GLN A 28 8.187 -6.423 -4.678 1.00 0.46 H new ATOM 0 HA GLN A 28 7.284 -3.872 -5.354 1.00 0.50 H new ATOM 0 HB2 GLN A 28 9.198 -5.405 -6.321 1.00 0.60 H new ATOM 0 HB3 GLN A 28 7.978 -5.979 -7.440 1.00 0.60 H new ATOM 0 HG2 GLN A 28 8.333 -4.128 -8.726 1.00 1.01 H new ATOM 0 HG3 GLN A 28 7.707 -3.134 -7.426 1.00 1.01 H new ATOM 0 HE21 GLN A 28 9.206 -1.400 -7.420 1.00 1.50 H new ATOM 0 HE22 GLN A 28 10.944 -1.624 -7.191 1.00 1.50 H new ATOM 453 N ASP A 29 5.372 -6.223 -6.699 1.00 0.52 N ATOM 454 CA ASP A 29 4.024 -6.449 -7.306 1.00 0.54 C ATOM 455 C ASP A 29 2.947 -6.069 -6.276 1.00 0.48 C ATOM 456 O ASP A 29 2.010 -5.354 -6.580 1.00 0.51 O ATOM 457 CB ASP A 29 3.898 -7.932 -7.700 1.00 0.61 C ATOM 458 CG ASP A 29 2.427 -8.339 -7.784 1.00 0.88 C ATOM 459 OD1 ASP A 29 1.752 -7.865 -8.680 1.00 1.30 O ATOM 460 OD2 ASP A 29 2.004 -9.121 -6.950 1.00 1.63 O ATOM 0 H ASP A 29 5.918 -7.070 -6.545 1.00 0.52 H new ATOM 0 HA ASP A 29 3.894 -5.835 -8.197 1.00 0.54 H new ATOM 0 HB2 ASP A 29 4.384 -8.102 -8.661 1.00 0.61 H new ATOM 0 HB3 ASP A 29 4.413 -8.554 -6.968 1.00 0.61 H new ATOM 465 N MET A 30 3.095 -6.533 -5.055 1.00 0.51 N ATOM 466 CA MET A 30 2.105 -6.203 -3.977 1.00 0.51 C ATOM 467 C MET A 30 1.816 -4.693 -3.978 1.00 0.49 C ATOM 468 O MET A 30 0.672 -4.274 -3.947 1.00 0.52 O ATOM 469 CB MET A 30 2.684 -6.611 -2.619 1.00 0.51 C ATOM 470 CG MET A 30 2.619 -8.132 -2.466 1.00 1.33 C ATOM 471 SD MET A 30 2.995 -8.566 -0.752 1.00 1.43 S ATOM 472 CE MET A 30 3.964 -10.056 -1.095 1.00 0.79 C ATOM 0 H MET A 30 3.866 -7.131 -4.757 1.00 0.51 H new ATOM 0 HA MET A 30 1.177 -6.744 -4.160 1.00 0.51 H new ATOM 0 HB2 MET A 30 3.716 -6.271 -2.536 1.00 0.51 H new ATOM 0 HB3 MET A 30 2.125 -6.131 -1.816 1.00 0.51 H new ATOM 0 HG2 MET A 30 1.628 -8.496 -2.738 1.00 1.33 H new ATOM 0 HG3 MET A 30 3.330 -8.609 -3.140 1.00 1.33 H new ATOM 0 HE1 MET A 30 4.303 -10.494 -0.156 1.00 0.79 H new ATOM 0 HE2 MET A 30 3.346 -10.777 -1.630 1.00 0.79 H new ATOM 0 HE3 MET A 30 4.828 -9.795 -1.706 1.00 0.79 H new ATOM 482 N LEU A 31 2.843 -3.875 -4.026 1.00 0.50 N ATOM 483 CA LEU A 31 2.632 -2.390 -4.045 1.00 0.54 C ATOM 484 C LEU A 31 1.961 -1.989 -5.366 1.00 0.50 C ATOM 485 O LEU A 31 0.988 -1.256 -5.377 1.00 0.55 O ATOM 486 CB LEU A 31 3.980 -1.673 -3.931 1.00 0.70 C ATOM 487 CG LEU A 31 4.576 -1.901 -2.543 1.00 0.52 C ATOM 488 CD1 LEU A 31 5.938 -2.572 -2.687 1.00 1.22 C ATOM 489 CD2 LEU A 31 4.750 -0.558 -1.838 1.00 0.54 C ATOM 0 H LEU A 31 3.818 -4.172 -4.053 1.00 0.50 H new ATOM 0 HA LEU A 31 1.998 -2.107 -3.205 1.00 0.54 H new ATOM 0 HB2 LEU A 31 4.664 -2.043 -4.695 1.00 0.70 H new ATOM 0 HB3 LEU A 31 3.850 -0.606 -4.109 1.00 0.70 H new ATOM 0 HG LEU A 31 3.910 -2.537 -1.959 1.00 0.52 H new ATOM 0 HD11 LEU A 31 6.368 -2.737 -1.699 1.00 1.22 H new ATOM 0 HD12 LEU A 31 5.820 -3.529 -3.196 1.00 1.22 H new ATOM 0 HD13 LEU A 31 6.600 -1.930 -3.269 1.00 1.22 H new ATOM 0 HD21 LEU A 31 5.175 -0.719 -0.847 1.00 0.54 H new ATOM 0 HD22 LEU A 31 5.419 0.075 -2.421 1.00 0.54 H new ATOM 0 HD23 LEU A 31 3.780 -0.069 -1.741 1.00 0.54 H new ATOM 501 N ALA A 32 2.477 -2.470 -6.475 1.00 0.54 N ATOM 502 CA ALA A 32 1.880 -2.132 -7.804 1.00 0.55 C ATOM 503 C ALA A 32 0.419 -2.600 -7.841 1.00 0.47 C ATOM 504 O ALA A 32 -0.485 -1.805 -8.010 1.00 0.51 O ATOM 505 CB ALA A 32 2.680 -2.828 -8.912 1.00 0.68 C ATOM 0 H ALA A 32 3.290 -3.085 -6.514 1.00 0.54 H new ATOM 0 HA ALA A 32 1.914 -1.054 -7.960 1.00 0.55 H new ATOM 0 HB1 ALA A 32 2.247 -2.583 -9.882 1.00 0.68 H new ATOM 0 HB2 ALA A 32 3.715 -2.489 -8.881 1.00 0.68 H new ATOM 0 HB3 ALA A 32 2.647 -3.907 -8.762 1.00 0.68 H new ATOM 511 N PHE A 33 0.182 -3.879 -7.659 1.00 0.44 N ATOM 512 CA PHE A 33 -1.221 -4.403 -7.665 1.00 0.44 C ATOM 513 C PHE A 33 -2.076 -3.602 -6.667 1.00 0.39 C ATOM 514 O PHE A 33 -3.200 -3.231 -6.959 1.00 0.38 O ATOM 515 CB PHE A 33 -1.213 -5.889 -7.278 1.00 0.51 C ATOM 516 CG PHE A 33 -2.443 -6.560 -7.840 1.00 0.54 C ATOM 517 CD1 PHE A 33 -2.483 -6.927 -9.190 1.00 1.37 C ATOM 518 CD2 PHE A 33 -3.543 -6.812 -7.014 1.00 1.31 C ATOM 519 CE1 PHE A 33 -3.624 -7.545 -9.713 1.00 1.42 C ATOM 520 CE2 PHE A 33 -4.685 -7.430 -7.537 1.00 1.39 C ATOM 521 CZ PHE A 33 -4.726 -7.796 -8.886 1.00 0.79 C ATOM 0 H PHE A 33 0.903 -4.584 -7.506 1.00 0.44 H new ATOM 0 HA PHE A 33 -1.647 -4.296 -8.662 1.00 0.44 H new ATOM 0 HB2 PHE A 33 -0.314 -6.371 -7.662 1.00 0.51 H new ATOM 0 HB3 PHE A 33 -1.192 -5.994 -6.193 1.00 0.51 H new ATOM 0 HD1 PHE A 33 -1.633 -6.733 -9.828 1.00 1.37 H new ATOM 0 HD2 PHE A 33 -3.511 -6.530 -5.972 1.00 1.31 H new ATOM 0 HE1 PHE A 33 -3.655 -7.829 -10.755 1.00 1.42 H new ATOM 0 HE2 PHE A 33 -5.534 -7.624 -6.899 1.00 1.39 H new ATOM 0 HZ PHE A 33 -5.607 -8.272 -9.290 1.00 0.79 H new ATOM 531 N ALA A 34 -1.544 -3.318 -5.499 1.00 0.39 N ATOM 532 CA ALA A 34 -2.311 -2.523 -4.485 1.00 0.39 C ATOM 533 C ALA A 34 -2.649 -1.135 -5.060 1.00 0.39 C ATOM 534 O ALA A 34 -3.778 -0.681 -4.975 1.00 0.41 O ATOM 535 CB ALA A 34 -1.465 -2.368 -3.216 1.00 0.44 C ATOM 0 H ALA A 34 -0.610 -3.603 -5.205 1.00 0.39 H new ATOM 0 HA ALA A 34 -3.238 -3.042 -4.241 1.00 0.39 H new ATOM 0 HB1 ALA A 34 -2.020 -1.790 -2.477 1.00 0.44 H new ATOM 0 HB2 ALA A 34 -1.236 -3.353 -2.809 1.00 0.44 H new ATOM 0 HB3 ALA A 34 -0.537 -1.850 -3.458 1.00 0.44 H new ATOM 541 N ALA A 35 -1.683 -0.467 -5.647 1.00 0.41 N ATOM 542 CA ALA A 35 -1.938 0.887 -6.241 1.00 0.44 C ATOM 543 C ALA A 35 -2.759 0.748 -7.540 1.00 0.46 C ATOM 544 O ALA A 35 -3.568 1.601 -7.868 1.00 0.54 O ATOM 545 CB ALA A 35 -0.594 1.563 -6.540 1.00 0.51 C ATOM 0 H ALA A 35 -0.724 -0.803 -5.741 1.00 0.41 H new ATOM 0 HA ALA A 35 -2.504 1.495 -5.535 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -0.770 2.548 -6.972 1.00 0.51 H new ATOM 0 HB2 ALA A 35 -0.026 1.669 -5.616 1.00 0.51 H new ATOM 0 HB3 ALA A 35 -0.029 0.953 -7.245 1.00 0.51 H new ATOM 551 N GLU A 36 -2.555 -0.319 -8.279 1.00 0.45 N ATOM 552 CA GLU A 36 -3.313 -0.537 -9.556 1.00 0.51 C ATOM 553 C GLU A 36 -4.825 -0.592 -9.268 1.00 0.51 C ATOM 554 O GLU A 36 -5.612 0.089 -9.906 1.00 0.69 O ATOM 555 CB GLU A 36 -2.866 -1.868 -10.181 1.00 0.56 C ATOM 556 CG GLU A 36 -2.385 -1.641 -11.622 1.00 0.64 C ATOM 557 CD GLU A 36 -1.115 -0.785 -11.629 1.00 1.41 C ATOM 558 OE1 GLU A 36 -0.081 -1.281 -11.226 1.00 1.99 O ATOM 559 OE2 GLU A 36 -1.203 0.358 -12.042 1.00 2.20 O ATOM 0 H GLU A 36 -1.888 -1.056 -8.049 1.00 0.45 H new ATOM 0 HA GLU A 36 -3.111 0.285 -10.242 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -2.064 -2.306 -9.587 1.00 0.56 H new ATOM 0 HB3 GLU A 36 -3.693 -2.578 -10.173 1.00 0.56 H new ATOM 0 HG2 GLU A 36 -2.188 -2.599 -12.102 1.00 0.64 H new ATOM 0 HG3 GLU A 36 -3.167 -1.149 -12.200 1.00 0.64 H new ATOM 566 N VAL A 37 -5.232 -1.402 -8.316 1.00 0.44 N ATOM 567 CA VAL A 37 -6.692 -1.523 -7.982 1.00 0.46 C ATOM 568 C VAL A 37 -7.219 -0.225 -7.337 1.00 0.46 C ATOM 569 O VAL A 37 -8.307 0.220 -7.652 1.00 0.58 O ATOM 570 CB VAL A 37 -6.912 -2.722 -7.035 1.00 0.46 C ATOM 571 CG1 VAL A 37 -6.129 -2.531 -5.736 1.00 0.44 C ATOM 572 CG2 VAL A 37 -8.399 -2.852 -6.697 1.00 0.59 C ATOM 0 H VAL A 37 -4.614 -1.987 -7.754 1.00 0.44 H new ATOM 0 HA VAL A 37 -7.248 -1.689 -8.905 1.00 0.46 H new ATOM 0 HB VAL A 37 -6.562 -3.623 -7.539 1.00 0.46 H new ATOM 0 HG11 VAL A 37 -6.297 -3.386 -5.081 1.00 0.44 H new ATOM 0 HG12 VAL A 37 -5.066 -2.449 -5.961 1.00 0.44 H new ATOM 0 HG13 VAL A 37 -6.466 -1.622 -5.238 1.00 0.44 H new ATOM 0 HG21 VAL A 37 -8.547 -3.700 -6.028 1.00 0.59 H new ATOM 0 HG22 VAL A 37 -8.742 -1.940 -6.208 1.00 0.59 H new ATOM 0 HG23 VAL A 37 -8.968 -3.009 -7.613 1.00 0.59 H new ATOM 582 N THR A 38 -6.467 0.385 -6.444 1.00 0.40 N ATOM 583 CA THR A 38 -6.944 1.656 -5.780 1.00 0.43 C ATOM 584 C THR A 38 -7.224 2.748 -6.822 1.00 0.51 C ATOM 585 O THR A 38 -8.079 3.589 -6.621 1.00 0.59 O ATOM 586 CB THR A 38 -5.901 2.186 -4.780 1.00 0.42 C ATOM 587 OG1 THR A 38 -4.604 1.722 -5.123 1.00 0.47 O ATOM 588 CG2 THR A 38 -6.256 1.710 -3.374 1.00 0.48 C ATOM 0 H THR A 38 -5.547 0.062 -6.145 1.00 0.40 H new ATOM 0 HA THR A 38 -7.864 1.412 -5.249 1.00 0.43 H new ATOM 0 HB THR A 38 -5.905 3.275 -4.813 1.00 0.42 H new ATOM 0 HG1 THR A 38 -4.476 0.818 -4.768 1.00 0.47 H new ATOM 0 HG21 THR A 38 -5.517 2.085 -2.666 1.00 0.48 H new ATOM 0 HG22 THR A 38 -7.243 2.084 -3.102 1.00 0.48 H new ATOM 0 HG23 THR A 38 -6.262 0.620 -3.349 1.00 0.48 H new ATOM 596 N LYS A 39 -6.515 2.746 -7.924 1.00 0.54 N ATOM 597 CA LYS A 39 -6.746 3.793 -8.975 1.00 0.66 C ATOM 598 C LYS A 39 -8.084 3.549 -9.709 1.00 0.68 C ATOM 599 O LYS A 39 -8.585 4.422 -10.391 1.00 0.80 O ATOM 600 CB LYS A 39 -5.590 3.760 -9.979 1.00 0.73 C ATOM 601 CG LYS A 39 -4.337 4.363 -9.332 1.00 1.23 C ATOM 602 CD LYS A 39 -3.156 4.267 -10.303 1.00 1.64 C ATOM 603 CE LYS A 39 -2.728 2.805 -10.450 1.00 1.73 C ATOM 604 NZ LYS A 39 -2.270 2.571 -11.848 1.00 2.48 N ATOM 0 H LYS A 39 -5.787 2.067 -8.144 1.00 0.54 H new ATOM 0 HA LYS A 39 -6.794 4.770 -8.495 1.00 0.66 H new ATOM 0 HB2 LYS A 39 -5.394 2.734 -10.291 1.00 0.73 H new ATOM 0 HB3 LYS A 39 -5.856 4.321 -10.875 1.00 0.73 H new ATOM 0 HG2 LYS A 39 -4.518 5.405 -9.067 1.00 1.23 H new ATOM 0 HG3 LYS A 39 -4.104 3.835 -8.407 1.00 1.23 H new ATOM 0 HD2 LYS A 39 -3.437 4.673 -11.275 1.00 1.64 H new ATOM 0 HD3 LYS A 39 -2.322 4.865 -9.937 1.00 1.64 H new ATOM 0 HE2 LYS A 39 -1.926 2.575 -9.748 1.00 1.73 H new ATOM 0 HE3 LYS A 39 -3.561 2.143 -10.211 1.00 1.73 H new ATOM 0 HZ1 LYS A 39 -1.883 1.609 -11.930 1.00 2.48 H new ATOM 0 HZ2 LYS A 39 -3.074 2.677 -12.499 1.00 2.48 H new ATOM 0 HZ3 LYS A 39 -1.533 3.263 -12.092 1.00 2.48 H new ATOM 618 N ASN A 40 -8.662 2.374 -9.572 1.00 0.64 N ATOM 619 CA ASN A 40 -9.965 2.077 -10.254 1.00 0.71 C ATOM 620 C ASN A 40 -11.087 2.905 -9.603 1.00 0.73 C ATOM 621 O ASN A 40 -11.229 2.927 -8.391 1.00 0.81 O ATOM 622 CB ASN A 40 -10.265 0.571 -10.113 1.00 0.71 C ATOM 623 CG ASN A 40 -11.643 0.221 -10.689 1.00 1.02 C ATOM 624 OD1 ASN A 40 -12.364 1.069 -11.160 1.00 1.80 O ATOM 625 ND2 ASN A 40 -12.048 -1.010 -10.666 1.00 1.43 N ATOM 0 H ASN A 40 -8.285 1.607 -9.015 1.00 0.64 H new ATOM 0 HA ASN A 40 -9.905 2.339 -11.310 1.00 0.71 H new ATOM 0 HB2 ASN A 40 -9.496 -0.005 -10.628 1.00 0.71 H new ATOM 0 HB3 ASN A 40 -10.225 0.287 -9.061 1.00 0.71 H new ATOM 0 HD21 ASN A 40 -12.965 -1.252 -11.042 1.00 1.43 H new ATOM 0 HD22 ASN A 40 -11.450 -1.736 -10.272 1.00 1.43 H new ATOM 632 N GLU A 41 -11.885 3.573 -10.402 1.00 0.86 N ATOM 633 CA GLU A 41 -13.010 4.400 -9.857 1.00 0.92 C ATOM 634 C GLU A 41 -13.825 3.585 -8.840 1.00 0.86 C ATOM 635 O GLU A 41 -14.009 4.001 -7.710 1.00 0.84 O ATOM 636 CB GLU A 41 -13.920 4.830 -11.012 1.00 1.14 C ATOM 637 CG GLU A 41 -13.210 5.895 -11.862 1.00 1.71 C ATOM 638 CD GLU A 41 -13.612 5.740 -13.328 1.00 2.30 C ATOM 639 OE1 GLU A 41 -13.070 4.863 -13.980 1.00 2.89 O ATOM 640 OE2 GLU A 41 -14.451 6.501 -13.774 1.00 2.78 O ATOM 0 H GLU A 41 -11.804 3.581 -11.419 1.00 0.86 H new ATOM 0 HA GLU A 41 -12.601 5.278 -9.357 1.00 0.92 H new ATOM 0 HB2 GLU A 41 -14.173 3.968 -11.629 1.00 1.14 H new ATOM 0 HB3 GLU A 41 -14.857 5.228 -10.621 1.00 1.14 H new ATOM 0 HG2 GLU A 41 -13.473 6.891 -11.507 1.00 1.71 H new ATOM 0 HG3 GLU A 41 -12.130 5.795 -11.759 1.00 1.71 H new ATOM 647 N GLN A 42 -14.298 2.423 -9.232 1.00 0.92 N ATOM 648 CA GLN A 42 -15.098 1.567 -8.294 1.00 0.92 C ATOM 649 C GLN A 42 -14.305 1.308 -7.002 1.00 0.78 C ATOM 650 O GLN A 42 -14.870 1.235 -5.925 1.00 0.76 O ATOM 651 CB GLN A 42 -15.440 0.240 -8.975 1.00 1.06 C ATOM 652 CG GLN A 42 -16.594 0.461 -9.962 1.00 1.54 C ATOM 653 CD GLN A 42 -16.758 -0.768 -10.855 1.00 2.04 C ATOM 654 OE1 GLN A 42 -15.829 -1.191 -11.508 1.00 2.58 O ATOM 655 NE2 GLN A 42 -17.909 -1.365 -10.914 1.00 2.64 N ATOM 0 H GLN A 42 -14.164 2.030 -10.164 1.00 0.92 H new ATOM 0 HA GLN A 42 -16.021 2.087 -8.037 1.00 0.92 H new ATOM 0 HB2 GLN A 42 -14.567 -0.149 -9.499 1.00 1.06 H new ATOM 0 HB3 GLN A 42 -15.721 -0.503 -8.229 1.00 1.06 H new ATOM 0 HG2 GLN A 42 -17.519 0.651 -9.417 1.00 1.54 H new ATOM 0 HG3 GLN A 42 -16.397 1.342 -10.573 1.00 1.54 H new ATOM 0 HE21 GLN A 42 -18.695 -1.013 -10.367 1.00 2.64 H new ATOM 0 HE22 GLN A 42 -18.028 -2.186 -11.508 1.00 2.64 H new ATOM 664 N MET A 43 -12.998 1.200 -7.090 1.00 0.74 N ATOM 665 CA MET A 43 -12.187 0.989 -5.853 1.00 0.66 C ATOM 666 C MET A 43 -12.302 2.255 -4.996 1.00 0.62 C ATOM 667 O MET A 43 -12.530 2.188 -3.803 1.00 0.68 O ATOM 668 CB MET A 43 -10.725 0.731 -6.225 1.00 0.63 C ATOM 669 CG MET A 43 -9.990 0.120 -5.029 1.00 0.53 C ATOM 670 SD MET A 43 -10.794 -1.429 -4.554 1.00 0.82 S ATOM 671 CE MET A 43 -11.587 -0.828 -3.040 1.00 0.57 C ATOM 0 H MET A 43 -12.465 1.249 -7.958 1.00 0.74 H new ATOM 0 HA MET A 43 -12.552 0.125 -5.299 1.00 0.66 H new ATOM 0 HB2 MET A 43 -10.670 0.058 -7.081 1.00 0.63 H new ATOM 0 HB3 MET A 43 -10.245 1.663 -6.522 1.00 0.63 H new ATOM 0 HG2 MET A 43 -8.946 -0.063 -5.285 1.00 0.53 H new ATOM 0 HG3 MET A 43 -9.995 0.817 -4.191 1.00 0.53 H new ATOM 0 HE1 MET A 43 -12.462 -1.440 -2.820 1.00 0.57 H new ATOM 0 HE2 MET A 43 -10.882 -0.891 -2.211 1.00 0.57 H new ATOM 0 HE3 MET A 43 -11.894 0.209 -3.177 1.00 0.57 H new ATOM 681 N ALA A 44 -12.188 3.410 -5.614 1.00 0.63 N ATOM 682 CA ALA A 44 -12.333 4.694 -4.861 1.00 0.70 C ATOM 683 C ALA A 44 -13.743 4.743 -4.253 1.00 0.77 C ATOM 684 O ALA A 44 -13.922 5.153 -3.120 1.00 0.90 O ATOM 685 CB ALA A 44 -12.132 5.875 -5.817 1.00 0.86 C ATOM 0 H ALA A 44 -12.000 3.516 -6.611 1.00 0.63 H new ATOM 0 HA ALA A 44 -11.586 4.755 -4.069 1.00 0.70 H new ATOM 0 HB1 ALA A 44 -12.238 6.810 -5.267 1.00 0.86 H new ATOM 0 HB2 ALA A 44 -11.135 5.823 -6.255 1.00 0.86 H new ATOM 0 HB3 ALA A 44 -12.880 5.833 -6.609 1.00 0.86 H new ATOM 691 N GLU A 45 -14.737 4.296 -4.994 1.00 0.82 N ATOM 692 CA GLU A 45 -16.139 4.274 -4.466 1.00 0.95 C ATOM 693 C GLU A 45 -16.168 3.432 -3.181 1.00 0.91 C ATOM 694 O GLU A 45 -16.686 3.851 -2.163 1.00 1.05 O ATOM 695 CB GLU A 45 -17.071 3.649 -5.514 1.00 1.16 C ATOM 696 CG GLU A 45 -17.101 4.526 -6.776 1.00 1.08 C ATOM 697 CD GLU A 45 -18.187 4.026 -7.732 1.00 1.61 C ATOM 698 OE1 GLU A 45 -19.313 4.468 -7.600 1.00 2.18 O ATOM 699 OE2 GLU A 45 -17.871 3.211 -8.581 1.00 2.10 O ATOM 0 H GLU A 45 -14.633 3.945 -5.946 1.00 0.82 H new ATOM 0 HA GLU A 45 -16.473 5.289 -4.252 1.00 0.95 H new ATOM 0 HB2 GLU A 45 -16.728 2.645 -5.766 1.00 1.16 H new ATOM 0 HB3 GLU A 45 -18.077 3.549 -5.106 1.00 1.16 H new ATOM 0 HG2 GLU A 45 -17.294 5.564 -6.504 1.00 1.08 H new ATOM 0 HG3 GLU A 45 -16.130 4.501 -7.270 1.00 1.08 H new ATOM 706 N LEU A 46 -15.585 2.255 -3.222 1.00 0.86 N ATOM 707 CA LEU A 46 -15.540 1.382 -2.003 1.00 0.97 C ATOM 708 C LEU A 46 -14.610 2.018 -0.955 1.00 0.87 C ATOM 709 O LEU A 46 -14.854 1.934 0.235 1.00 1.05 O ATOM 710 CB LEU A 46 -15.012 -0.007 -2.383 1.00 1.12 C ATOM 711 CG LEU A 46 -15.978 -0.682 -3.360 1.00 1.41 C ATOM 712 CD1 LEU A 46 -15.228 -1.740 -4.167 1.00 1.81 C ATOM 713 CD2 LEU A 46 -17.104 -1.356 -2.580 1.00 2.06 C ATOM 0 H LEU A 46 -15.137 1.861 -4.049 1.00 0.86 H new ATOM 0 HA LEU A 46 -16.543 1.284 -1.589 1.00 0.97 H new ATOM 0 HB2 LEU A 46 -14.025 0.081 -2.837 1.00 1.12 H new ATOM 0 HB3 LEU A 46 -14.898 -0.620 -1.489 1.00 1.12 H new ATOM 0 HG LEU A 46 -16.394 0.068 -4.032 1.00 1.41 H new ATOM 0 HD11 LEU A 46 -15.915 -2.221 -4.863 1.00 1.81 H new ATOM 0 HD12 LEU A 46 -14.419 -1.267 -4.724 1.00 1.81 H new ATOM 0 HD13 LEU A 46 -14.814 -2.488 -3.491 1.00 1.81 H new ATOM 0 HD21 LEU A 46 -17.792 -1.837 -3.276 1.00 2.06 H new ATOM 0 HD22 LEU A 46 -16.684 -2.105 -1.909 1.00 2.06 H new ATOM 0 HD23 LEU A 46 -17.641 -0.608 -1.997 1.00 2.06 H new ATOM 725 N LEU A 47 -13.549 2.660 -1.396 1.00 0.69 N ATOM 726 CA LEU A 47 -12.596 3.320 -0.444 1.00 0.72 C ATOM 727 C LEU A 47 -13.299 4.488 0.262 1.00 0.91 C ATOM 728 O LEU A 47 -13.223 4.631 1.468 1.00 1.14 O ATOM 729 CB LEU A 47 -11.384 3.854 -1.221 1.00 0.59 C ATOM 730 CG LEU A 47 -10.483 2.694 -1.648 1.00 0.55 C ATOM 731 CD1 LEU A 47 -9.620 3.129 -2.830 1.00 0.88 C ATOM 732 CD2 LEU A 47 -9.575 2.301 -0.485 1.00 0.66 C ATOM 0 H LEU A 47 -13.302 2.755 -2.381 1.00 0.69 H new ATOM 0 HA LEU A 47 -12.265 2.592 0.297 1.00 0.72 H new ATOM 0 HB2 LEU A 47 -11.719 4.407 -2.099 1.00 0.59 H new ATOM 0 HB3 LEU A 47 -10.822 4.552 -0.600 1.00 0.59 H new ATOM 0 HG LEU A 47 -11.101 1.844 -1.937 1.00 0.55 H new ATOM 0 HD11 LEU A 47 -8.978 2.303 -3.135 1.00 0.88 H new ATOM 0 HD12 LEU A 47 -10.262 3.416 -3.663 1.00 0.88 H new ATOM 0 HD13 LEU A 47 -9.004 3.979 -2.537 1.00 0.88 H new ATOM 0 HD21 LEU A 47 -8.933 1.474 -0.788 1.00 0.66 H new ATOM 0 HD22 LEU A 47 -8.959 3.154 -0.200 1.00 0.66 H new ATOM 0 HD23 LEU A 47 -10.185 1.994 0.365 1.00 0.66 H new ATOM 744 N SER A 48 -13.988 5.319 -0.482 1.00 0.92 N ATOM 745 CA SER A 48 -14.707 6.479 0.136 1.00 1.20 C ATOM 746 C SER A 48 -16.097 6.026 0.615 1.00 1.55 C ATOM 747 O SER A 48 -17.117 6.560 0.211 1.00 2.29 O ATOM 748 CB SER A 48 -14.846 7.597 -0.904 1.00 1.73 C ATOM 749 OG SER A 48 -13.619 8.320 -0.995 1.00 2.36 O ATOM 0 H SER A 48 -14.084 5.244 -1.495 1.00 0.92 H new ATOM 0 HA SER A 48 -14.143 6.852 0.991 1.00 1.20 H new ATOM 0 HB2 SER A 48 -15.104 7.174 -1.875 1.00 1.73 H new ATOM 0 HB3 SER A 48 -15.657 8.270 -0.624 1.00 1.73 H new ATOM 0 HG SER A 48 -13.708 9.033 -1.661 1.00 2.36 H new ATOM 755 N GLY A 49 -16.138 5.037 1.477 1.00 1.55 N ATOM 756 CA GLY A 49 -17.450 4.525 1.998 1.00 2.38 C ATOM 757 C GLY A 49 -18.050 5.515 3.006 1.00 2.35 C ATOM 758 O GLY A 49 -17.458 6.530 3.333 1.00 2.73 O ATOM 0 H GLY A 49 -15.315 4.559 1.845 1.00 1.55 H new ATOM 0 HA2 GLY A 49 -18.143 4.374 1.170 1.00 2.38 H new ATOM 0 HA3 GLY A 49 -17.306 3.555 2.474 1.00 2.38 H new ATOM 762 N ALA A 50 -19.226 5.223 3.503 1.00 2.08 N ATOM 763 CA ALA A 50 -19.886 6.137 4.489 1.00 2.25 C ATOM 764 C ALA A 50 -19.143 6.092 5.842 1.00 1.93 C ATOM 765 O ALA A 50 -19.611 5.510 6.805 1.00 2.43 O ATOM 766 CB ALA A 50 -21.349 5.706 4.667 1.00 2.55 C ATOM 0 H ALA A 50 -19.761 4.387 3.268 1.00 2.08 H new ATOM 0 HA ALA A 50 -19.852 7.161 4.117 1.00 2.25 H new ATOM 0 HB1 ALA A 50 -21.838 6.366 5.384 1.00 2.55 H new ATOM 0 HB2 ALA A 50 -21.865 5.765 3.709 1.00 2.55 H new ATOM 0 HB3 ALA A 50 -21.384 4.681 5.035 1.00 2.55 H new ATOM 772 N LEU A 51 -17.984 6.712 5.907 1.00 1.77 N ATOM 773 CA LEU A 51 -17.180 6.741 7.178 1.00 1.96 C ATOM 774 C LEU A 51 -16.881 5.311 7.683 1.00 1.76 C ATOM 775 O LEU A 51 -16.695 5.093 8.867 1.00 2.43 O ATOM 776 CB LEU A 51 -17.963 7.517 8.247 1.00 2.17 C ATOM 777 CG LEU A 51 -18.097 8.985 7.831 1.00 2.50 C ATOM 778 CD1 LEU A 51 -19.276 9.619 8.565 1.00 2.98 C ATOM 779 CD2 LEU A 51 -16.820 9.742 8.193 1.00 2.88 C ATOM 0 H LEU A 51 -17.555 7.205 5.124 1.00 1.77 H new ATOM 0 HA LEU A 51 -16.228 7.232 6.979 1.00 1.96 H new ATOM 0 HB2 LEU A 51 -18.951 7.076 8.379 1.00 2.17 H new ATOM 0 HB3 LEU A 51 -17.452 7.447 9.207 1.00 2.17 H new ATOM 0 HG LEU A 51 -18.261 9.037 6.755 1.00 2.50 H new ATOM 0 HD11 LEU A 51 -19.370 10.664 8.268 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -20.192 9.086 8.311 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -19.109 9.561 9.641 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -16.919 10.786 7.895 1.00 2.88 H new ATOM 0 HD22 LEU A 51 -16.656 9.685 9.269 1.00 2.88 H new ATOM 0 HD23 LEU A 51 -15.973 9.295 7.673 1.00 2.88 H new ATOM 791 N ALA A 52 -16.825 4.341 6.801 1.00 1.38 N ATOM 792 CA ALA A 52 -16.538 2.937 7.237 1.00 1.13 C ATOM 793 C ALA A 52 -15.121 2.515 6.785 1.00 0.93 C ATOM 794 O ALA A 52 -14.924 2.137 5.641 1.00 0.92 O ATOM 795 CB ALA A 52 -17.589 2.002 6.622 1.00 1.17 C ATOM 0 H ALA A 52 -16.966 4.461 5.798 1.00 1.38 H new ATOM 0 HA ALA A 52 -16.583 2.876 8.324 1.00 1.13 H new ATOM 0 HB1 ALA A 52 -17.390 0.976 6.933 1.00 1.17 H new ATOM 0 HB2 ALA A 52 -18.582 2.298 6.961 1.00 1.17 H new ATOM 0 HB3 ALA A 52 -17.542 2.067 5.535 1.00 1.17 H new ATOM 801 N PRO A 53 -14.179 2.581 7.705 1.00 0.86 N ATOM 802 CA PRO A 53 -12.767 2.205 7.442 1.00 0.77 C ATOM 803 C PRO A 53 -12.619 0.684 7.267 1.00 0.69 C ATOM 804 O PRO A 53 -11.966 0.226 6.343 1.00 0.72 O ATOM 805 CB PRO A 53 -12.019 2.712 8.681 1.00 0.85 C ATOM 806 CG PRO A 53 -13.077 2.850 9.800 1.00 0.95 C ATOM 807 CD PRO A 53 -14.434 3.025 9.094 1.00 0.97 C ATOM 0 HA PRO A 53 -12.378 2.634 6.519 1.00 0.77 H new ATOM 0 HB2 PRO A 53 -11.233 2.015 8.973 1.00 0.85 H new ATOM 0 HB3 PRO A 53 -11.538 3.669 8.480 1.00 0.85 H new ATOM 0 HG2 PRO A 53 -13.083 1.968 10.440 1.00 0.95 H new ATOM 0 HG3 PRO A 53 -12.858 3.706 10.439 1.00 0.95 H new ATOM 0 HD2 PRO A 53 -15.210 2.424 9.568 1.00 0.97 H new ATOM 0 HD3 PRO A 53 -14.769 4.062 9.126 1.00 0.97 H new ATOM 815 N GLU A 54 -13.225 -0.101 8.125 1.00 0.71 N ATOM 816 CA GLU A 54 -13.121 -1.589 7.980 1.00 0.72 C ATOM 817 C GLU A 54 -13.734 -2.018 6.634 1.00 0.63 C ATOM 818 O GLU A 54 -13.247 -2.919 5.983 1.00 0.62 O ATOM 819 CB GLU A 54 -13.838 -2.296 9.147 1.00 0.90 C ATOM 820 CG GLU A 54 -15.302 -1.834 9.264 1.00 1.52 C ATOM 821 CD GLU A 54 -15.430 -0.789 10.372 1.00 2.30 C ATOM 822 OE1 GLU A 54 -15.174 0.366 10.093 1.00 2.83 O ATOM 823 OE2 GLU A 54 -15.779 -1.164 11.477 1.00 2.90 O ATOM 0 H GLU A 54 -13.784 0.221 8.915 1.00 0.71 H new ATOM 0 HA GLU A 54 -12.070 -1.877 8.003 1.00 0.72 H new ATOM 0 HB2 GLU A 54 -13.806 -3.375 8.997 1.00 0.90 H new ATOM 0 HB3 GLU A 54 -13.313 -2.088 10.079 1.00 0.90 H new ATOM 0 HG2 GLU A 54 -15.637 -1.414 8.316 1.00 1.52 H new ATOM 0 HG3 GLU A 54 -15.946 -2.687 9.480 1.00 1.52 H new ATOM 830 N THR A 55 -14.785 -1.361 6.202 1.00 0.61 N ATOM 831 CA THR A 55 -15.421 -1.718 4.889 1.00 0.60 C ATOM 832 C THR A 55 -14.398 -1.559 3.755 1.00 0.50 C ATOM 833 O THR A 55 -14.141 -2.487 3.010 1.00 0.54 O ATOM 834 CB THR A 55 -16.619 -0.793 4.629 1.00 0.70 C ATOM 835 OG1 THR A 55 -17.628 -1.051 5.592 1.00 1.43 O ATOM 836 CG2 THR A 55 -17.185 -1.049 3.232 1.00 1.58 C ATOM 0 H THR A 55 -15.232 -0.592 6.701 1.00 0.61 H new ATOM 0 HA THR A 55 -15.761 -2.753 4.926 1.00 0.60 H new ATOM 0 HB THR A 55 -16.291 0.244 4.700 1.00 0.70 H new ATOM 0 HG1 THR A 55 -18.393 -0.461 5.430 1.00 1.43 H new ATOM 0 HG21 THR A 55 -18.034 -0.388 3.057 1.00 1.58 H new ATOM 0 HG22 THR A 55 -16.414 -0.855 2.486 1.00 1.58 H new ATOM 0 HG23 THR A 55 -17.511 -2.086 3.156 1.00 1.58 H new ATOM 844 N LEU A 56 -13.815 -0.390 3.615 1.00 0.45 N ATOM 845 CA LEU A 56 -12.811 -0.174 2.520 1.00 0.42 C ATOM 846 C LEU A 56 -11.540 -1.012 2.775 1.00 0.34 C ATOM 847 O LEU A 56 -10.952 -1.538 1.847 1.00 0.34 O ATOM 848 CB LEU A 56 -12.459 1.321 2.407 1.00 0.50 C ATOM 849 CG LEU A 56 -12.079 1.904 3.771 1.00 0.58 C ATOM 850 CD1 LEU A 56 -10.574 2.138 3.824 1.00 0.68 C ATOM 851 CD2 LEU A 56 -12.789 3.242 3.966 1.00 1.18 C ATOM 0 H LEU A 56 -13.990 0.421 4.209 1.00 0.45 H new ATOM 0 HA LEU A 56 -13.251 -0.500 1.577 1.00 0.42 H new ATOM 0 HB2 LEU A 56 -11.632 1.451 1.710 1.00 0.50 H new ATOM 0 HB3 LEU A 56 -13.309 1.868 1.999 1.00 0.50 H new ATOM 0 HG LEU A 56 -12.374 1.206 4.554 1.00 0.58 H new ATOM 0 HD11 LEU A 56 -10.304 2.553 4.795 1.00 0.68 H new ATOM 0 HD12 LEU A 56 -10.053 1.192 3.676 1.00 0.68 H new ATOM 0 HD13 LEU A 56 -10.287 2.837 3.038 1.00 0.68 H new ATOM 0 HD21 LEU A 56 -12.520 3.659 4.937 1.00 1.18 H new ATOM 0 HD22 LEU A 56 -12.487 3.932 3.178 1.00 1.18 H new ATOM 0 HD23 LEU A 56 -13.868 3.091 3.922 1.00 1.18 H new ATOM 863 N ALA A 57 -11.119 -1.155 4.013 1.00 0.35 N ATOM 864 CA ALA A 57 -9.893 -1.971 4.308 1.00 0.34 C ATOM 865 C ALA A 57 -10.161 -3.456 4.011 1.00 0.36 C ATOM 866 O ALA A 57 -9.513 -4.052 3.164 1.00 0.42 O ATOM 867 CB ALA A 57 -9.508 -1.805 5.784 1.00 0.41 C ATOM 0 H ALA A 57 -11.570 -0.743 4.830 1.00 0.35 H new ATOM 0 HA ALA A 57 -9.076 -1.624 3.676 1.00 0.34 H new ATOM 0 HB1 ALA A 57 -8.618 -2.398 5.997 1.00 0.41 H new ATOM 0 HB2 ALA A 57 -9.302 -0.755 5.990 1.00 0.41 H new ATOM 0 HB3 ALA A 57 -10.330 -2.145 6.415 1.00 0.41 H new ATOM 873 N GLU A 58 -11.107 -4.052 4.698 1.00 0.38 N ATOM 874 CA GLU A 58 -11.422 -5.501 4.467 1.00 0.43 C ATOM 875 C GLU A 58 -11.788 -5.716 2.990 1.00 0.40 C ATOM 876 O GLU A 58 -11.272 -6.610 2.337 1.00 0.46 O ATOM 877 CB GLU A 58 -12.599 -5.934 5.360 1.00 0.53 C ATOM 878 CG GLU A 58 -12.332 -5.590 6.844 1.00 1.43 C ATOM 879 CD GLU A 58 -10.900 -5.951 7.263 1.00 1.92 C ATOM 880 OE1 GLU A 58 -10.014 -5.137 7.064 1.00 2.46 O ATOM 881 OE2 GLU A 58 -10.719 -7.021 7.818 1.00 2.41 O ATOM 0 H GLU A 58 -11.677 -3.597 5.411 1.00 0.38 H new ATOM 0 HA GLU A 58 -10.548 -6.101 4.718 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -13.512 -5.439 5.028 1.00 0.53 H new ATOM 0 HB3 GLU A 58 -12.762 -7.007 5.256 1.00 0.53 H new ATOM 0 HG2 GLU A 58 -12.501 -4.526 7.007 1.00 1.43 H new ATOM 0 HG3 GLU A 58 -13.041 -6.126 7.475 1.00 1.43 H new ATOM 888 N SER A 59 -12.660 -4.890 2.449 1.00 0.38 N ATOM 889 CA SER A 59 -13.044 -5.034 1.004 1.00 0.42 C ATOM 890 C SER A 59 -11.782 -4.952 0.135 1.00 0.38 C ATOM 891 O SER A 59 -11.659 -5.646 -0.857 1.00 0.43 O ATOM 892 CB SER A 59 -14.016 -3.919 0.606 1.00 0.49 C ATOM 893 OG SER A 59 -14.580 -4.210 -0.671 1.00 0.86 O ATOM 0 H SER A 59 -13.120 -4.126 2.944 1.00 0.38 H new ATOM 0 HA SER A 59 -13.531 -5.998 0.855 1.00 0.42 H new ATOM 0 HB2 SER A 59 -14.806 -3.828 1.352 1.00 0.49 H new ATOM 0 HB3 SER A 59 -13.495 -2.962 0.575 1.00 0.49 H new ATOM 0 HG SER A 59 -15.203 -3.497 -0.924 1.00 0.86 H new ATOM 899 N PHE A 60 -10.834 -4.120 0.512 1.00 0.31 N ATOM 900 CA PHE A 60 -9.570 -4.009 -0.279 1.00 0.30 C ATOM 901 C PHE A 60 -8.789 -5.326 -0.180 1.00 0.32 C ATOM 902 O PHE A 60 -8.367 -5.874 -1.178 1.00 0.35 O ATOM 903 CB PHE A 60 -8.711 -2.861 0.259 1.00 0.30 C ATOM 904 CG PHE A 60 -7.562 -2.626 -0.690 1.00 0.33 C ATOM 905 CD1 PHE A 60 -7.717 -1.756 -1.773 1.00 1.31 C ATOM 906 CD2 PHE A 60 -6.346 -3.289 -0.493 1.00 1.14 C ATOM 907 CE1 PHE A 60 -6.655 -1.548 -2.659 1.00 1.34 C ATOM 908 CE2 PHE A 60 -5.283 -3.079 -1.378 1.00 1.16 C ATOM 909 CZ PHE A 60 -5.438 -2.208 -2.462 1.00 0.46 C ATOM 0 H PHE A 60 -10.885 -3.516 1.332 1.00 0.31 H new ATOM 0 HA PHE A 60 -9.818 -3.807 -1.321 1.00 0.30 H new ATOM 0 HB2 PHE A 60 -9.310 -1.956 0.357 1.00 0.30 H new ATOM 0 HB3 PHE A 60 -8.336 -3.104 1.253 1.00 0.30 H new ATOM 0 HD1 PHE A 60 -8.656 -1.245 -1.925 1.00 1.31 H new ATOM 0 HD2 PHE A 60 -6.228 -3.963 0.342 1.00 1.14 H new ATOM 0 HE1 PHE A 60 -6.775 -0.877 -3.496 1.00 1.34 H new ATOM 0 HE2 PHE A 60 -4.343 -3.589 -1.225 1.00 1.16 H new ATOM 0 HZ PHE A 60 -4.618 -2.046 -3.146 1.00 0.46 H new ATOM 919 N ILE A 61 -8.609 -5.848 1.011 1.00 0.37 N ATOM 920 CA ILE A 61 -7.870 -7.147 1.162 1.00 0.46 C ATOM 921 C ILE A 61 -8.565 -8.217 0.298 1.00 0.53 C ATOM 922 O ILE A 61 -7.919 -9.027 -0.339 1.00 0.65 O ATOM 923 CB ILE A 61 -7.857 -7.562 2.649 1.00 0.48 C ATOM 924 CG1 ILE A 61 -6.512 -7.178 3.270 1.00 0.82 C ATOM 925 CG2 ILE A 61 -8.046 -9.075 2.795 1.00 0.63 C ATOM 926 CD1 ILE A 61 -6.613 -5.787 3.897 1.00 1.06 C ATOM 0 H ILE A 61 -8.940 -5.434 1.883 1.00 0.37 H new ATOM 0 HA ILE A 61 -6.838 -7.038 0.829 1.00 0.46 H new ATOM 0 HB ILE A 61 -8.675 -7.049 3.155 1.00 0.48 H new ATOM 0 HG12 ILE A 61 -6.228 -7.909 4.027 1.00 0.82 H new ATOM 0 HG13 ILE A 61 -5.732 -7.189 2.508 1.00 0.82 H new ATOM 0 HG21 ILE A 61 -8.033 -9.343 3.851 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -9.001 -9.366 2.358 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -7.238 -9.594 2.279 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -5.654 -5.516 4.338 1.00 1.06 H new ATOM 0 HD12 ILE A 61 -6.877 -5.060 3.129 1.00 1.06 H new ATOM 0 HD13 ILE A 61 -7.380 -5.792 4.671 1.00 1.06 H new ATOM 938 N ALA A 62 -9.877 -8.205 0.267 1.00 0.53 N ATOM 939 CA ALA A 62 -10.632 -9.200 -0.559 1.00 0.65 C ATOM 940 C ALA A 62 -10.500 -8.858 -2.057 1.00 0.64 C ATOM 941 O ALA A 62 -10.236 -9.722 -2.871 1.00 0.73 O ATOM 942 CB ALA A 62 -12.108 -9.170 -0.147 1.00 0.71 C ATOM 0 H ALA A 62 -10.460 -7.545 0.781 1.00 0.53 H new ATOM 0 HA ALA A 62 -10.222 -10.196 -0.393 1.00 0.65 H new ATOM 0 HB1 ALA A 62 -12.667 -9.891 -0.743 1.00 0.71 H new ATOM 0 HB2 ALA A 62 -12.196 -9.426 0.909 1.00 0.71 H new ATOM 0 HB3 ALA A 62 -12.512 -8.171 -0.313 1.00 0.71 H new ATOM 948 N VAL A 63 -10.680 -7.608 -2.425 1.00 0.55 N ATOM 949 CA VAL A 63 -10.563 -7.215 -3.871 1.00 0.57 C ATOM 950 C VAL A 63 -9.096 -7.313 -4.335 1.00 0.58 C ATOM 951 O VAL A 63 -8.821 -7.620 -5.480 1.00 0.69 O ATOM 952 CB VAL A 63 -11.089 -5.781 -4.065 1.00 0.50 C ATOM 953 CG1 VAL A 63 -10.059 -4.763 -3.576 1.00 0.45 C ATOM 954 CG2 VAL A 63 -11.363 -5.530 -5.548 1.00 0.53 C ATOM 0 H VAL A 63 -10.903 -6.843 -1.788 1.00 0.55 H new ATOM 0 HA VAL A 63 -11.162 -7.898 -4.474 1.00 0.57 H new ATOM 0 HB VAL A 63 -12.008 -5.670 -3.489 1.00 0.50 H new ATOM 0 HG11 VAL A 63 -10.447 -3.755 -3.721 1.00 0.45 H new ATOM 0 HG12 VAL A 63 -9.860 -4.927 -2.517 1.00 0.45 H new ATOM 0 HG13 VAL A 63 -9.135 -4.880 -4.141 1.00 0.45 H new ATOM 0 HG21 VAL A 63 -11.735 -4.514 -5.682 1.00 0.53 H new ATOM 0 HG22 VAL A 63 -10.441 -5.656 -6.115 1.00 0.53 H new ATOM 0 HG23 VAL A 63 -12.109 -6.240 -5.905 1.00 0.53 H new ATOM 964 N CYS A 64 -8.158 -7.056 -3.453 1.00 0.54 N ATOM 965 CA CYS A 64 -6.709 -7.135 -3.831 1.00 0.63 C ATOM 966 C CYS A 64 -6.284 -8.607 -3.987 1.00 0.78 C ATOM 967 O CYS A 64 -5.441 -8.930 -4.804 1.00 0.92 O ATOM 968 CB CYS A 64 -5.870 -6.465 -2.739 1.00 0.67 C ATOM 969 SG CYS A 64 -4.219 -6.092 -3.382 1.00 0.84 S ATOM 0 H CYS A 64 -8.334 -6.794 -2.483 1.00 0.54 H new ATOM 0 HA CYS A 64 -6.552 -6.623 -4.781 1.00 0.63 H new ATOM 0 HB2 CYS A 64 -6.356 -5.549 -2.404 1.00 0.67 H new ATOM 0 HB3 CYS A 64 -5.794 -7.121 -1.872 1.00 0.67 H new ATOM 0 HG CYS A 64 -3.510 -5.522 -2.453 1.00 0.84 H new ATOM 975 N GLY A 65 -6.863 -9.499 -3.213 1.00 0.82 N ATOM 976 CA GLY A 65 -6.499 -10.952 -3.319 1.00 1.03 C ATOM 977 C GLY A 65 -5.695 -11.402 -2.092 1.00 1.08 C ATOM 978 O GLY A 65 -4.962 -10.633 -1.498 1.00 1.89 O ATOM 0 H GLY A 65 -7.572 -9.283 -2.512 1.00 0.82 H new ATOM 0 HA2 GLY A 65 -7.404 -11.553 -3.407 1.00 1.03 H new ATOM 0 HA3 GLY A 65 -5.915 -11.120 -4.224 1.00 1.03 H new ATOM 982 N GLU A 66 -5.829 -12.651 -1.713 1.00 0.96 N ATOM 983 CA GLU A 66 -5.084 -13.184 -0.521 1.00 0.99 C ATOM 984 C GLU A 66 -3.558 -13.129 -0.734 1.00 0.98 C ATOM 985 O GLU A 66 -2.799 -13.280 0.207 1.00 1.26 O ATOM 986 CB GLU A 66 -5.508 -14.634 -0.270 1.00 1.40 C ATOM 987 CG GLU A 66 -6.893 -14.654 0.389 1.00 2.18 C ATOM 988 CD GLU A 66 -7.903 -15.317 -0.545 1.00 2.75 C ATOM 989 OE1 GLU A 66 -8.119 -14.788 -1.625 1.00 3.40 O ATOM 990 OE2 GLU A 66 -8.446 -16.337 -0.163 1.00 3.06 O ATOM 0 H GLU A 66 -6.427 -13.332 -2.181 1.00 0.96 H new ATOM 0 HA GLU A 66 -5.328 -12.560 0.339 1.00 0.99 H new ATOM 0 HB2 GLU A 66 -5.533 -15.185 -1.210 1.00 1.40 H new ATOM 0 HB3 GLU A 66 -4.781 -15.131 0.372 1.00 1.40 H new ATOM 0 HG2 GLU A 66 -6.848 -15.196 1.334 1.00 2.18 H new ATOM 0 HG3 GLU A 66 -7.211 -13.637 0.619 1.00 2.18 H new ATOM 997 N GLN A 67 -3.095 -12.915 -1.948 1.00 1.22 N ATOM 998 CA GLN A 67 -1.614 -12.848 -2.196 1.00 1.61 C ATOM 999 C GLN A 67 -1.041 -11.550 -1.584 1.00 1.30 C ATOM 1000 O GLN A 67 -0.547 -10.676 -2.277 1.00 1.52 O ATOM 1001 CB GLN A 67 -1.338 -12.905 -3.712 1.00 2.09 C ATOM 1002 CG GLN A 67 -2.099 -11.787 -4.444 1.00 1.99 C ATOM 1003 CD GLN A 67 -1.436 -11.518 -5.797 1.00 2.70 C ATOM 1004 OE1 GLN A 67 -1.658 -12.237 -6.745 1.00 3.17 O ATOM 1005 NE2 GLN A 67 -0.623 -10.514 -5.927 1.00 3.24 N ATOM 0 H GLN A 67 -3.677 -12.784 -2.775 1.00 1.22 H new ATOM 0 HA GLN A 67 -1.125 -13.699 -1.722 1.00 1.61 H new ATOM 0 HB2 GLN A 67 -0.268 -12.805 -3.896 1.00 2.09 H new ATOM 0 HB3 GLN A 67 -1.640 -13.876 -4.106 1.00 2.09 H new ATOM 0 HG2 GLN A 67 -3.140 -12.076 -4.588 1.00 1.99 H new ATOM 0 HG3 GLN A 67 -2.101 -10.879 -3.841 1.00 1.99 H new ATOM 0 HE21 GLN A 67 -0.433 -9.905 -5.131 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -0.175 -10.334 -6.825 1.00 3.24 H new ATOM 1014 N LEU A 68 -1.118 -11.422 -0.280 1.00 0.89 N ATOM 1015 CA LEU A 68 -0.605 -10.195 0.402 1.00 0.71 C ATOM 1016 C LEU A 68 0.218 -10.575 1.644 1.00 0.75 C ATOM 1017 O LEU A 68 -0.187 -11.397 2.447 1.00 0.85 O ATOM 1018 CB LEU A 68 -1.797 -9.333 0.833 1.00 0.69 C ATOM 1019 CG LEU A 68 -2.344 -8.562 -0.368 1.00 0.67 C ATOM 1020 CD1 LEU A 68 -3.743 -8.044 -0.045 1.00 0.85 C ATOM 1021 CD2 LEU A 68 -1.432 -7.377 -0.673 1.00 0.79 C ATOM 0 H LEU A 68 -1.518 -12.122 0.344 1.00 0.89 H new ATOM 0 HA LEU A 68 0.034 -9.643 -0.288 1.00 0.71 H new ATOM 0 HB2 LEU A 68 -2.578 -9.964 1.257 1.00 0.69 H new ATOM 0 HB3 LEU A 68 -1.490 -8.637 1.614 1.00 0.69 H new ATOM 0 HG LEU A 68 -2.386 -9.225 -1.232 1.00 0.67 H new ATOM 0 HD11 LEU A 68 -4.134 -7.494 -0.901 1.00 0.85 H new ATOM 0 HD12 LEU A 68 -4.400 -8.885 0.177 1.00 0.85 H new ATOM 0 HD13 LEU A 68 -3.695 -7.383 0.820 1.00 0.85 H new ATOM 0 HD21 LEU A 68 -1.823 -6.828 -1.530 1.00 0.79 H new ATOM 0 HD22 LEU A 68 -1.391 -6.717 0.193 1.00 0.79 H new ATOM 0 HD23 LEU A 68 -0.429 -7.739 -0.901 1.00 0.79 H new ATOM 1033 N ASP A 69 1.360 -9.957 1.810 1.00 0.74 N ATOM 1034 CA ASP A 69 2.225 -10.235 3.000 1.00 0.87 C ATOM 1035 C ASP A 69 1.469 -9.833 4.283 1.00 0.82 C ATOM 1036 O ASP A 69 0.610 -8.961 4.255 1.00 0.89 O ATOM 1037 CB ASP A 69 3.509 -9.398 2.867 1.00 0.92 C ATOM 1038 CG ASP A 69 4.698 -10.149 3.453 1.00 1.08 C ATOM 1039 OD1 ASP A 69 4.715 -10.343 4.653 1.00 1.63 O ATOM 1040 OD2 ASP A 69 5.580 -10.499 2.691 1.00 1.50 O ATOM 0 H ASP A 69 1.735 -9.263 1.164 1.00 0.74 H new ATOM 0 HA ASP A 69 2.475 -11.295 3.053 1.00 0.87 H new ATOM 0 HB2 ASP A 69 3.696 -9.172 1.817 1.00 0.92 H new ATOM 0 HB3 ASP A 69 3.384 -8.445 3.381 1.00 0.92 H new ATOM 1045 N GLU A 70 1.785 -10.436 5.409 1.00 0.89 N ATOM 1046 CA GLU A 70 1.082 -10.056 6.681 1.00 0.87 C ATOM 1047 C GLU A 70 1.228 -8.539 6.892 1.00 0.71 C ATOM 1048 O GLU A 70 0.292 -7.862 7.290 1.00 0.79 O ATOM 1049 CB GLU A 70 1.665 -10.829 7.878 1.00 0.99 C ATOM 1050 CG GLU A 70 3.200 -10.789 7.862 1.00 1.65 C ATOM 1051 CD GLU A 70 3.724 -10.428 9.252 1.00 2.28 C ATOM 1052 OE1 GLU A 70 3.469 -9.317 9.687 1.00 2.75 O ATOM 1053 OE2 GLU A 70 4.373 -11.266 9.853 1.00 2.89 O ATOM 0 H GLU A 70 2.491 -11.166 5.502 1.00 0.89 H new ATOM 0 HA GLU A 70 0.026 -10.315 6.605 1.00 0.87 H new ATOM 0 HB2 GLU A 70 1.296 -10.398 8.809 1.00 0.99 H new ATOM 0 HB3 GLU A 70 1.324 -11.864 7.848 1.00 0.99 H new ATOM 0 HG2 GLU A 70 3.595 -11.757 7.555 1.00 1.65 H new ATOM 0 HG3 GLU A 70 3.546 -10.058 7.132 1.00 1.65 H new ATOM 1060 N ASN A 71 2.381 -7.995 6.576 1.00 0.58 N ATOM 1061 CA ASN A 71 2.585 -6.520 6.701 1.00 0.54 C ATOM 1062 C ASN A 71 1.750 -5.816 5.617 1.00 0.49 C ATOM 1063 O ASN A 71 1.187 -4.761 5.840 1.00 0.50 O ATOM 1064 CB ASN A 71 4.071 -6.192 6.500 1.00 0.67 C ATOM 1065 CG ASN A 71 4.794 -6.214 7.845 1.00 1.52 C ATOM 1066 OD1 ASN A 71 5.072 -5.181 8.411 1.00 2.12 O ATOM 1067 ND2 ASN A 71 5.112 -7.348 8.382 1.00 2.30 N ATOM 0 H ASN A 71 3.191 -8.514 6.236 1.00 0.58 H new ATOM 0 HA ASN A 71 2.274 -6.180 7.689 1.00 0.54 H new ATOM 0 HB2 ASN A 71 4.524 -6.915 5.822 1.00 0.67 H new ATOM 0 HB3 ASN A 71 4.177 -5.211 6.036 1.00 0.67 H new ATOM 0 HD21 ASN A 71 5.596 -7.369 9.280 1.00 2.30 H new ATOM 0 HD22 ASN A 71 4.879 -8.220 7.907 1.00 2.30 H new ATOM 1074 N GLY A 72 1.660 -6.410 4.444 1.00 0.48 N ATOM 1075 CA GLY A 72 0.859 -5.807 3.325 1.00 0.47 C ATOM 1076 C GLY A 72 -0.617 -5.722 3.724 1.00 0.49 C ATOM 1077 O GLY A 72 -1.228 -4.674 3.631 1.00 0.55 O ATOM 0 H GLY A 72 2.112 -7.295 4.214 1.00 0.48 H new ATOM 0 HA2 GLY A 72 1.239 -4.813 3.090 1.00 0.47 H new ATOM 0 HA3 GLY A 72 0.966 -6.410 2.424 1.00 0.47 H new ATOM 1081 N GLN A 73 -1.190 -6.813 4.181 1.00 0.50 N ATOM 1082 CA GLN A 73 -2.630 -6.792 4.607 1.00 0.57 C ATOM 1083 C GLN A 73 -2.799 -5.769 5.741 1.00 0.59 C ATOM 1084 O GLN A 73 -3.685 -4.933 5.709 1.00 0.66 O ATOM 1085 CB GLN A 73 -3.047 -8.186 5.096 1.00 0.65 C ATOM 1086 CG GLN A 73 -3.148 -9.146 3.900 1.00 0.69 C ATOM 1087 CD GLN A 73 -4.496 -9.879 3.912 1.00 0.93 C ATOM 1088 OE1 GLN A 73 -5.127 -10.014 4.939 1.00 1.64 O ATOM 1089 NE2 GLN A 73 -4.969 -10.362 2.804 1.00 1.25 N ATOM 0 H GLN A 73 -0.724 -7.715 4.277 1.00 0.50 H new ATOM 0 HA GLN A 73 -3.260 -6.512 3.763 1.00 0.57 H new ATOM 0 HB2 GLN A 73 -2.320 -8.562 5.816 1.00 0.65 H new ATOM 0 HB3 GLN A 73 -4.006 -8.129 5.611 1.00 0.65 H new ATOM 0 HG2 GLN A 73 -3.038 -8.590 2.969 1.00 0.69 H new ATOM 0 HG3 GLN A 73 -2.334 -9.869 3.937 1.00 0.69 H new ATOM 0 HE21 GLN A 73 -4.445 -10.253 1.936 1.00 1.25 H new ATOM 0 HE22 GLN A 73 -5.864 -10.850 2.802 1.00 1.25 H new ATOM 1098 N ASN A 74 -1.934 -5.818 6.731 1.00 0.66 N ATOM 1099 CA ASN A 74 -2.014 -4.838 7.861 1.00 0.74 C ATOM 1100 C ASN A 74 -1.833 -3.415 7.310 1.00 0.64 C ATOM 1101 O ASN A 74 -2.548 -2.504 7.683 1.00 0.70 O ATOM 1102 CB ASN A 74 -0.912 -5.148 8.885 1.00 0.88 C ATOM 1103 CG ASN A 74 -1.392 -6.232 9.849 1.00 1.27 C ATOM 1104 OD1 ASN A 74 -2.475 -6.153 10.385 1.00 1.79 O ATOM 1105 ND2 ASN A 74 -0.628 -7.250 10.096 1.00 1.87 N ATOM 0 H ASN A 74 -1.176 -6.496 6.803 1.00 0.66 H new ATOM 0 HA ASN A 74 -2.986 -4.914 8.349 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -0.009 -5.478 8.372 1.00 0.88 H new ATOM 0 HB3 ASN A 74 -0.652 -4.245 9.438 1.00 0.88 H new ATOM 0 HD21 ASN A 74 -0.940 -7.978 10.738 1.00 1.87 H new ATOM 0 HD22 ASN A 74 0.285 -7.323 9.648 1.00 1.87 H new ATOM 1112 N LEU A 75 -0.890 -3.227 6.411 1.00 0.60 N ATOM 1113 CA LEU A 75 -0.657 -1.876 5.806 1.00 0.60 C ATOM 1114 C LEU A 75 -1.981 -1.325 5.252 1.00 0.48 C ATOM 1115 O LEU A 75 -2.354 -0.200 5.532 1.00 0.58 O ATOM 1116 CB LEU A 75 0.371 -2.001 4.674 1.00 0.84 C ATOM 1117 CG LEU A 75 0.707 -0.612 4.123 1.00 0.62 C ATOM 1118 CD1 LEU A 75 2.222 -0.457 4.017 1.00 0.97 C ATOM 1119 CD2 LEU A 75 0.090 -0.451 2.736 1.00 0.64 C ATOM 0 H LEU A 75 -0.268 -3.960 6.070 1.00 0.60 H new ATOM 0 HA LEU A 75 -0.278 -1.193 6.566 1.00 0.60 H new ATOM 0 HB2 LEU A 75 1.275 -2.484 5.043 1.00 0.84 H new ATOM 0 HB3 LEU A 75 -0.025 -2.632 3.878 1.00 0.84 H new ATOM 0 HG LEU A 75 0.307 0.148 4.794 1.00 0.62 H new ATOM 0 HD11 LEU A 75 2.460 0.532 3.625 1.00 0.97 H new ATOM 0 HD12 LEU A 75 2.670 -0.573 5.004 1.00 0.97 H new ATOM 0 HD13 LEU A 75 2.620 -1.219 3.346 1.00 0.97 H new ATOM 0 HD21 LEU A 75 0.329 0.538 2.344 1.00 0.64 H new ATOM 0 HD22 LEU A 75 0.492 -1.213 2.068 1.00 0.64 H new ATOM 0 HD23 LEU A 75 -0.992 -0.562 2.804 1.00 0.64 H new ATOM 1131 N ILE A 76 -2.699 -2.117 4.486 1.00 0.45 N ATOM 1132 CA ILE A 76 -4.013 -1.648 3.931 1.00 0.44 C ATOM 1133 C ILE A 76 -4.929 -1.250 5.096 1.00 0.45 C ATOM 1134 O ILE A 76 -5.532 -0.189 5.090 1.00 0.55 O ATOM 1135 CB ILE A 76 -4.677 -2.773 3.124 1.00 0.53 C ATOM 1136 CG1 ILE A 76 -3.747 -3.236 1.995 1.00 0.66 C ATOM 1137 CG2 ILE A 76 -5.986 -2.260 2.516 1.00 0.51 C ATOM 1138 CD1 ILE A 76 -3.370 -2.047 1.107 1.00 0.64 C ATOM 0 H ILE A 76 -2.433 -3.065 4.222 1.00 0.45 H new ATOM 0 HA ILE A 76 -3.845 -0.794 3.275 1.00 0.44 H new ATOM 0 HB ILE A 76 -4.879 -3.612 3.790 1.00 0.53 H new ATOM 0 HG12 ILE A 76 -2.848 -3.686 2.415 1.00 0.66 H new ATOM 0 HG13 ILE A 76 -4.240 -4.004 1.399 1.00 0.66 H new ATOM 0 HG21 ILE A 76 -6.458 -3.058 1.943 1.00 0.51 H new ATOM 0 HG22 ILE A 76 -6.657 -1.940 3.313 1.00 0.51 H new ATOM 0 HG23 ILE A 76 -5.776 -1.416 1.858 1.00 0.51 H new ATOM 0 HD11 ILE A 76 -2.710 -2.384 0.308 1.00 0.64 H new ATOM 0 HD12 ILE A 76 -4.273 -1.616 0.674 1.00 0.64 H new ATOM 0 HD13 ILE A 76 -2.859 -1.293 1.706 1.00 0.64 H new ATOM 1150 N ARG A 77 -5.019 -2.090 6.101 1.00 0.48 N ATOM 1151 CA ARG A 77 -5.872 -1.775 7.290 1.00 0.51 C ATOM 1152 C ARG A 77 -5.363 -0.486 7.951 1.00 0.51 C ATOM 1153 O ARG A 77 -6.102 0.464 8.116 1.00 0.65 O ATOM 1154 CB ARG A 77 -5.800 -2.935 8.288 1.00 0.58 C ATOM 1155 CG ARG A 77 -7.168 -3.121 8.945 1.00 1.03 C ATOM 1156 CD ARG A 77 -6.980 -3.505 10.409 1.00 1.56 C ATOM 1157 NE ARG A 77 -7.160 -4.979 10.561 1.00 2.09 N ATOM 1158 CZ ARG A 77 -8.349 -5.484 10.579 1.00 2.56 C ATOM 1159 NH1 ARG A 77 -8.989 -5.580 11.696 1.00 3.01 N ATOM 1160 NH2 ARG A 77 -8.895 -5.870 9.479 1.00 3.17 N ATOM 0 H ARG A 77 -4.534 -2.986 6.148 1.00 0.48 H new ATOM 0 HA ARG A 77 -6.906 -1.635 6.976 1.00 0.51 H new ATOM 0 HB2 ARG A 77 -5.501 -3.851 7.778 1.00 0.58 H new ATOM 0 HB3 ARG A 77 -5.044 -2.731 9.046 1.00 0.58 H new ATOM 0 HG2 ARG A 77 -7.747 -2.201 8.871 1.00 1.03 H new ATOM 0 HG3 ARG A 77 -7.731 -3.895 8.424 1.00 1.03 H new ATOM 0 HD2 ARG A 77 -5.987 -3.212 10.749 1.00 1.56 H new ATOM 0 HD3 ARG A 77 -7.700 -2.973 11.031 1.00 1.56 H new ATOM 0 HE ARG A 77 -6.346 -5.587 10.651 1.00 2.09 H new ATOM 0 HH11 ARG A 77 -8.556 -5.258 12.561 1.00 3.01 H new ATOM 0 HH12 ARG A 77 -9.928 -5.978 11.713 1.00 3.01 H new ATOM 0 HH21 ARG A 77 -8.389 -5.777 8.598 1.00 3.17 H new ATOM 0 HH22 ARG A 77 -9.834 -6.269 9.488 1.00 3.17 H new ATOM 1174 N VAL A 78 -4.095 -0.440 8.299 1.00 0.50 N ATOM 1175 CA VAL A 78 -3.517 0.799 8.924 1.00 0.55 C ATOM 1176 C VAL A 78 -3.843 2.009 8.031 1.00 0.51 C ATOM 1177 O VAL A 78 -4.182 3.079 8.513 1.00 0.60 O ATOM 1178 CB VAL A 78 -1.995 0.641 9.067 1.00 0.68 C ATOM 1179 CG1 VAL A 78 -1.418 1.846 9.809 1.00 0.64 C ATOM 1180 CG2 VAL A 78 -1.682 -0.623 9.872 1.00 0.94 C ATOM 0 H VAL A 78 -3.435 -1.208 8.177 1.00 0.50 H new ATOM 0 HA VAL A 78 -3.949 0.953 9.913 1.00 0.55 H new ATOM 0 HB VAL A 78 -1.553 0.570 8.073 1.00 0.68 H new ATOM 0 HG11 VAL A 78 -0.339 1.730 9.908 1.00 0.64 H new ATOM 0 HG12 VAL A 78 -1.635 2.756 9.249 1.00 0.64 H new ATOM 0 HG13 VAL A 78 -1.868 1.913 10.799 1.00 0.64 H new ATOM 0 HG21 VAL A 78 -0.602 -0.733 9.972 1.00 0.94 H new ATOM 0 HG22 VAL A 78 -2.132 -0.545 10.862 1.00 0.94 H new ATOM 0 HG23 VAL A 78 -2.089 -1.493 9.356 1.00 0.94 H new ATOM 1190 N MET A 79 -3.773 1.835 6.730 1.00 0.49 N ATOM 1191 CA MET A 79 -4.116 2.954 5.795 1.00 0.51 C ATOM 1192 C MET A 79 -5.617 3.255 5.928 1.00 0.48 C ATOM 1193 O MET A 79 -6.029 4.399 6.000 1.00 0.59 O ATOM 1194 CB MET A 79 -3.806 2.537 4.350 1.00 0.59 C ATOM 1195 CG MET A 79 -2.294 2.372 4.165 1.00 0.76 C ATOM 1196 SD MET A 79 -1.656 3.743 3.174 1.00 0.75 S ATOM 1197 CE MET A 79 -2.159 3.111 1.553 1.00 0.73 C ATOM 0 H MET A 79 -3.493 0.965 6.277 1.00 0.49 H new ATOM 0 HA MET A 79 -3.529 3.838 6.043 1.00 0.51 H new ATOM 0 HB2 MET A 79 -4.314 1.601 4.116 1.00 0.59 H new ATOM 0 HB3 MET A 79 -4.186 3.288 3.657 1.00 0.59 H new ATOM 0 HG2 MET A 79 -1.798 2.349 5.135 1.00 0.76 H new ATOM 0 HG3 MET A 79 -2.078 1.423 3.674 1.00 0.76 H new ATOM 0 HE1 MET A 79 -1.338 3.229 0.846 1.00 0.73 H new ATOM 0 HE2 MET A 79 -2.416 2.055 1.638 1.00 0.73 H new ATOM 0 HE3 MET A 79 -3.026 3.668 1.199 1.00 0.73 H new ATOM 1207 N ALA A 80 -6.430 2.226 5.978 1.00 0.42 N ATOM 1208 CA ALA A 80 -7.908 2.412 6.125 1.00 0.48 C ATOM 1209 C ALA A 80 -8.222 3.009 7.507 1.00 0.59 C ATOM 1210 O ALA A 80 -8.919 4.001 7.612 1.00 0.72 O ATOM 1211 CB ALA A 80 -8.596 1.054 5.985 1.00 0.53 C ATOM 0 H ALA A 80 -6.127 1.253 5.922 1.00 0.42 H new ATOM 0 HA ALA A 80 -8.271 3.091 5.354 1.00 0.48 H new ATOM 0 HB1 ALA A 80 -9.674 1.179 6.091 1.00 0.53 H new ATOM 0 HB2 ALA A 80 -8.374 0.633 5.004 1.00 0.53 H new ATOM 0 HB3 ALA A 80 -8.231 0.380 6.760 1.00 0.53 H new ATOM 1217 N GLU A 81 -7.701 2.416 8.558 1.00 0.60 N ATOM 1218 CA GLU A 81 -7.946 2.935 9.946 1.00 0.73 C ATOM 1219 C GLU A 81 -7.634 4.441 10.013 1.00 0.77 C ATOM 1220 O GLU A 81 -8.365 5.210 10.608 1.00 0.91 O ATOM 1221 CB GLU A 81 -7.039 2.180 10.928 1.00 0.79 C ATOM 1222 CG GLU A 81 -7.856 1.123 11.687 1.00 1.12 C ATOM 1223 CD GLU A 81 -7.650 -0.254 11.054 1.00 1.30 C ATOM 1224 OE1 GLU A 81 -6.539 -0.755 11.113 1.00 1.95 O ATOM 1225 OE2 GLU A 81 -8.612 -0.790 10.531 1.00 1.79 O ATOM 0 H GLU A 81 -7.110 1.586 8.513 1.00 0.60 H new ATOM 0 HA GLU A 81 -8.992 2.781 10.210 1.00 0.73 H new ATOM 0 HB2 GLU A 81 -6.222 1.702 10.388 1.00 0.79 H new ATOM 0 HB3 GLU A 81 -6.589 2.880 11.633 1.00 0.79 H new ATOM 0 HG2 GLU A 81 -7.552 1.100 12.734 1.00 1.12 H new ATOM 0 HG3 GLU A 81 -8.914 1.386 11.668 1.00 1.12 H new ATOM 1232 N ASN A 82 -6.556 4.864 9.396 1.00 0.80 N ATOM 1233 CA ASN A 82 -6.187 6.320 9.411 1.00 0.90 C ATOM 1234 C ASN A 82 -6.911 7.082 8.275 1.00 1.10 C ATOM 1235 O ASN A 82 -6.706 8.273 8.087 1.00 1.48 O ATOM 1236 CB ASN A 82 -4.669 6.445 9.228 1.00 1.12 C ATOM 1237 CG ASN A 82 -3.957 5.964 10.491 1.00 1.41 C ATOM 1238 OD1 ASN A 82 -3.659 6.742 11.366 1.00 2.27 O ATOM 1239 ND2 ASN A 82 -3.665 4.708 10.625 1.00 1.26 N ATOM 0 H ASN A 82 -5.913 4.263 8.881 1.00 0.80 H new ATOM 0 HA ASN A 82 -6.491 6.756 10.363 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -4.347 5.855 8.370 1.00 1.12 H new ATOM 0 HB3 ASN A 82 -4.402 7.481 9.021 1.00 1.12 H new ATOM 0 HD21 ASN A 82 -3.187 4.382 11.465 1.00 1.26 H new ATOM 0 HD22 ASN A 82 -3.914 4.045 9.890 1.00 1.26 H new ATOM 1246 N GLY A 83 -7.752 6.412 7.517 1.00 1.03 N ATOM 1247 CA GLY A 83 -8.488 7.087 6.394 1.00 1.43 C ATOM 1248 C GLY A 83 -7.506 7.510 5.293 1.00 1.11 C ATOM 1249 O GLY A 83 -7.695 8.521 4.642 1.00 1.33 O ATOM 0 H GLY A 83 -7.961 5.420 7.629 1.00 1.03 H new ATOM 0 HA2 GLY A 83 -9.237 6.411 5.983 1.00 1.43 H new ATOM 0 HA3 GLY A 83 -9.020 7.960 6.772 1.00 1.43 H new ATOM 1253 N ARG A 84 -6.459 6.749 5.084 1.00 0.77 N ATOM 1254 CA ARG A 84 -5.453 7.103 4.027 1.00 0.59 C ATOM 1255 C ARG A 84 -5.279 5.938 3.026 1.00 0.51 C ATOM 1256 O ARG A 84 -4.311 5.894 2.290 1.00 0.53 O ATOM 1257 CB ARG A 84 -4.102 7.405 4.694 1.00 0.72 C ATOM 1258 CG ARG A 84 -4.268 8.489 5.767 1.00 1.31 C ATOM 1259 CD ARG A 84 -4.419 9.858 5.102 1.00 1.18 C ATOM 1260 NE ARG A 84 -5.164 10.768 6.025 1.00 2.07 N ATOM 1261 CZ ARG A 84 -6.426 10.970 5.854 1.00 2.57 C ATOM 1262 NH1 ARG A 84 -6.824 11.767 4.923 1.00 2.97 N ATOM 1263 NH2 ARG A 84 -7.280 10.369 6.610 1.00 3.25 N ATOM 0 H ARG A 84 -6.255 5.894 5.601 1.00 0.77 H new ATOM 0 HA ARG A 84 -5.809 7.979 3.485 1.00 0.59 H new ATOM 0 HB2 ARG A 84 -3.700 6.497 5.144 1.00 0.72 H new ATOM 0 HB3 ARG A 84 -3.384 7.734 3.943 1.00 0.72 H new ATOM 0 HG2 ARG A 84 -5.143 8.275 6.381 1.00 1.31 H new ATOM 0 HG3 ARG A 84 -3.404 8.491 6.432 1.00 1.31 H new ATOM 0 HD2 ARG A 84 -3.439 10.275 4.872 1.00 1.18 H new ATOM 0 HD3 ARG A 84 -4.953 9.761 4.157 1.00 1.18 H new ATOM 0 HE ARG A 84 -4.673 11.230 6.791 1.00 2.07 H new ATOM 0 HH11 ARG A 84 -6.142 12.234 4.326 1.00 2.97 H new ATOM 0 HH12 ARG A 84 -7.821 11.930 4.783 1.00 2.97 H new ATOM 0 HH21 ARG A 84 -6.957 9.736 7.341 1.00 3.25 H new ATOM 0 HH22 ARG A 84 -8.279 10.527 6.477 1.00 3.25 H new ATOM 1277 N LEU A 85 -6.205 5.003 2.986 1.00 0.46 N ATOM 1278 CA LEU A 85 -6.086 3.847 2.027 1.00 0.44 C ATOM 1279 C LEU A 85 -5.878 4.354 0.587 1.00 0.44 C ATOM 1280 O LEU A 85 -5.201 3.725 -0.207 1.00 0.49 O ATOM 1281 CB LEU A 85 -7.360 2.990 2.094 1.00 0.47 C ATOM 1282 CG LEU A 85 -6.983 1.515 2.266 1.00 0.35 C ATOM 1283 CD1 LEU A 85 -8.248 0.662 2.287 1.00 0.42 C ATOM 1284 CD2 LEU A 85 -6.104 1.067 1.100 1.00 0.33 C ATOM 0 H LEU A 85 -7.038 4.989 3.575 1.00 0.46 H new ATOM 0 HA LEU A 85 -5.223 3.245 2.311 1.00 0.44 H new ATOM 0 HB2 LEU A 85 -7.985 3.315 2.926 1.00 0.47 H new ATOM 0 HB3 LEU A 85 -7.946 3.122 1.185 1.00 0.47 H new ATOM 0 HG LEU A 85 -6.440 1.395 3.203 1.00 0.35 H new ATOM 0 HD11 LEU A 85 -7.978 -0.387 2.409 1.00 0.42 H new ATOM 0 HD12 LEU A 85 -8.882 0.972 3.117 1.00 0.42 H new ATOM 0 HD13 LEU A 85 -8.789 0.790 1.349 1.00 0.42 H new ATOM 0 HD21 LEU A 85 -5.838 0.017 1.227 1.00 0.33 H new ATOM 0 HD22 LEU A 85 -6.649 1.193 0.164 1.00 0.33 H new ATOM 0 HD23 LEU A 85 -5.197 1.670 1.076 1.00 0.33 H new ATOM 1296 N ASN A 86 -6.451 5.485 0.245 1.00 0.46 N ATOM 1297 CA ASN A 86 -6.287 6.034 -1.143 1.00 0.53 C ATOM 1298 C ASN A 86 -4.815 6.414 -1.416 1.00 0.53 C ATOM 1299 O ASN A 86 -4.415 6.543 -2.559 1.00 0.53 O ATOM 1300 CB ASN A 86 -7.178 7.271 -1.306 1.00 0.60 C ATOM 1301 CG ASN A 86 -8.617 6.836 -1.579 1.00 1.29 C ATOM 1302 OD1 ASN A 86 -9.389 6.634 -0.666 1.00 2.18 O ATOM 1303 ND2 ASN A 86 -9.015 6.677 -2.803 1.00 1.85 N ATOM 0 H ASN A 86 -7.026 6.053 0.867 1.00 0.46 H new ATOM 0 HA ASN A 86 -6.580 5.266 -1.859 1.00 0.53 H new ATOM 0 HB2 ASN A 86 -7.137 7.882 -0.404 1.00 0.60 H new ATOM 0 HB3 ASN A 86 -6.813 7.889 -2.126 1.00 0.60 H new ATOM 0 HD21 ASN A 86 -9.973 6.383 -2.994 1.00 1.85 H new ATOM 0 HD22 ASN A 86 -8.370 6.846 -3.575 1.00 1.85 H new ATOM 1310 N ALA A 87 -4.004 6.581 -0.390 1.00 0.55 N ATOM 1311 CA ALA A 87 -2.560 6.945 -0.603 1.00 0.58 C ATOM 1312 C ALA A 87 -1.725 5.688 -0.950 1.00 0.56 C ATOM 1313 O ALA A 87 -0.578 5.554 -0.551 1.00 0.65 O ATOM 1314 CB ALA A 87 -2.018 7.601 0.673 1.00 0.69 C ATOM 0 H ALA A 87 -4.281 6.481 0.586 1.00 0.55 H new ATOM 0 HA ALA A 87 -2.485 7.642 -1.438 1.00 0.58 H new ATOM 0 HB1 ALA A 87 -0.971 7.868 0.528 1.00 0.69 H new ATOM 0 HB2 ALA A 87 -2.595 8.499 0.894 1.00 0.69 H new ATOM 0 HB3 ALA A 87 -2.102 6.902 1.505 1.00 0.69 H new ATOM 1320 N LEU A 88 -2.290 4.774 -1.706 1.00 0.51 N ATOM 1321 CA LEU A 88 -1.551 3.533 -2.101 1.00 0.54 C ATOM 1322 C LEU A 88 -0.396 3.857 -3.082 1.00 0.44 C ATOM 1323 O LEU A 88 0.663 3.259 -2.978 1.00 0.44 O ATOM 1324 CB LEU A 88 -2.534 2.543 -2.753 1.00 0.67 C ATOM 1325 CG LEU A 88 -2.157 1.075 -2.449 1.00 0.60 C ATOM 1326 CD1 LEU A 88 -0.987 0.982 -1.468 1.00 0.85 C ATOM 1327 CD2 LEU A 88 -3.362 0.367 -1.834 1.00 0.60 C ATOM 0 H LEU A 88 -3.241 4.837 -2.069 1.00 0.51 H new ATOM 0 HA LEU A 88 -1.115 3.087 -1.207 1.00 0.54 H new ATOM 0 HB2 LEU A 88 -3.543 2.741 -2.391 1.00 0.67 H new ATOM 0 HB3 LEU A 88 -2.545 2.699 -3.832 1.00 0.67 H new ATOM 0 HG LEU A 88 -1.860 0.605 -3.386 1.00 0.60 H new ATOM 0 HD11 LEU A 88 -0.752 -0.066 -1.280 1.00 0.85 H new ATOM 0 HD12 LEU A 88 -0.115 1.478 -1.894 1.00 0.85 H new ATOM 0 HD13 LEU A 88 -1.259 1.467 -0.530 1.00 0.85 H new ATOM 0 HD21 LEU A 88 -3.103 -0.669 -1.617 1.00 0.60 H new ATOM 0 HD22 LEU A 88 -3.648 0.871 -0.911 1.00 0.60 H new ATOM 0 HD23 LEU A 88 -4.196 0.393 -2.535 1.00 0.60 H new ATOM 1339 N PRO A 89 -0.602 4.795 -4.002 1.00 0.44 N ATOM 1340 CA PRO A 89 0.450 5.173 -4.971 1.00 0.46 C ATOM 1341 C PRO A 89 1.563 5.951 -4.256 1.00 0.41 C ATOM 1342 O PRO A 89 2.733 5.730 -4.507 1.00 0.52 O ATOM 1343 CB PRO A 89 -0.290 6.025 -6.009 1.00 0.56 C ATOM 1344 CG PRO A 89 -1.571 6.539 -5.316 1.00 0.56 C ATOM 1345 CD PRO A 89 -1.862 5.567 -4.158 1.00 0.50 C ATOM 0 HA PRO A 89 0.944 4.322 -5.439 1.00 0.46 H new ATOM 0 HB2 PRO A 89 0.331 6.856 -6.344 1.00 0.56 H new ATOM 0 HB3 PRO A 89 -0.536 5.435 -6.892 1.00 0.56 H new ATOM 0 HG2 PRO A 89 -1.430 7.554 -4.944 1.00 0.56 H new ATOM 0 HG3 PRO A 89 -2.406 6.569 -6.016 1.00 0.56 H new ATOM 0 HD2 PRO A 89 -2.116 6.103 -3.243 1.00 0.50 H new ATOM 0 HD3 PRO A 89 -2.703 4.913 -4.389 1.00 0.50 H new ATOM 1353 N ASP A 90 1.208 6.824 -3.340 1.00 0.42 N ATOM 1354 CA ASP A 90 2.239 7.588 -2.569 1.00 0.47 C ATOM 1355 C ASP A 90 3.251 6.585 -1.983 1.00 0.44 C ATOM 1356 O ASP A 90 4.455 6.758 -2.082 1.00 0.54 O ATOM 1357 CB ASP A 90 1.548 8.354 -1.429 1.00 0.53 C ATOM 1358 CG ASP A 90 0.443 9.253 -1.982 1.00 0.95 C ATOM 1359 OD1 ASP A 90 -0.571 8.723 -2.402 1.00 1.76 O ATOM 1360 OD2 ASP A 90 0.624 10.455 -1.958 1.00 1.54 O ATOM 0 H ASP A 90 0.242 7.040 -3.093 1.00 0.42 H new ATOM 0 HA ASP A 90 2.753 8.297 -3.218 1.00 0.47 H new ATOM 0 HB2 ASP A 90 1.127 7.649 -0.712 1.00 0.53 H new ATOM 0 HB3 ASP A 90 2.280 8.956 -0.891 1.00 0.53 H new ATOM 1365 N VAL A 91 2.757 5.518 -1.394 1.00 0.43 N ATOM 1366 CA VAL A 91 3.657 4.468 -0.821 1.00 0.47 C ATOM 1367 C VAL A 91 4.395 3.773 -1.978 1.00 0.46 C ATOM 1368 O VAL A 91 5.589 3.536 -1.913 1.00 0.54 O ATOM 1369 CB VAL A 91 2.807 3.450 -0.045 1.00 0.63 C ATOM 1370 CG1 VAL A 91 3.659 2.246 0.361 1.00 1.04 C ATOM 1371 CG2 VAL A 91 2.252 4.109 1.218 1.00 1.43 C ATOM 0 H VAL A 91 1.760 5.331 -1.286 1.00 0.43 H new ATOM 0 HA VAL A 91 4.384 4.913 -0.142 1.00 0.47 H new ATOM 0 HB VAL A 91 1.991 3.115 -0.686 1.00 0.63 H new ATOM 0 HG11 VAL A 91 3.044 1.533 0.910 1.00 1.04 H new ATOM 0 HG12 VAL A 91 4.060 1.767 -0.532 1.00 1.04 H new ATOM 0 HG13 VAL A 91 4.481 2.579 0.995 1.00 1.04 H new ATOM 0 HG21 VAL A 91 1.649 3.388 1.770 1.00 1.43 H new ATOM 0 HG22 VAL A 91 3.077 4.447 1.845 1.00 1.43 H new ATOM 0 HG23 VAL A 91 1.634 4.963 0.941 1.00 1.43 H new ATOM 1381 N LEU A 92 3.685 3.465 -3.038 1.00 0.49 N ATOM 1382 CA LEU A 92 4.314 2.803 -4.227 1.00 0.59 C ATOM 1383 C LEU A 92 5.475 3.669 -4.748 1.00 0.60 C ATOM 1384 O LEU A 92 6.593 3.201 -4.877 1.00 0.66 O ATOM 1385 CB LEU A 92 3.249 2.641 -5.321 1.00 0.74 C ATOM 1386 CG LEU A 92 3.876 2.049 -6.585 1.00 0.93 C ATOM 1387 CD1 LEU A 92 4.097 0.552 -6.396 1.00 1.62 C ATOM 1388 CD2 LEU A 92 2.933 2.269 -7.764 1.00 1.45 C ATOM 0 H LEU A 92 2.686 3.646 -3.131 1.00 0.49 H new ATOM 0 HA LEU A 92 4.705 1.825 -3.946 1.00 0.59 H new ATOM 0 HB2 LEU A 92 2.448 1.993 -4.966 1.00 0.74 H new ATOM 0 HB3 LEU A 92 2.800 3.608 -5.548 1.00 0.74 H new ATOM 0 HG LEU A 92 4.832 2.537 -6.777 1.00 0.93 H new ATOM 0 HD11 LEU A 92 4.544 0.133 -7.298 1.00 1.62 H new ATOM 0 HD12 LEU A 92 4.764 0.387 -5.550 1.00 1.62 H new ATOM 0 HD13 LEU A 92 3.141 0.064 -6.205 1.00 1.62 H new ATOM 0 HD21 LEU A 92 3.376 1.849 -8.667 1.00 1.45 H new ATOM 0 HD22 LEU A 92 1.980 1.778 -7.564 1.00 1.45 H new ATOM 0 HD23 LEU A 92 2.768 3.337 -7.904 1.00 1.45 H new ATOM 1400 N GLU A 93 5.215 4.923 -5.036 1.00 0.62 N ATOM 1401 CA GLU A 93 6.291 5.840 -5.542 1.00 0.73 C ATOM 1402 C GLU A 93 7.460 5.856 -4.546 1.00 0.67 C ATOM 1403 O GLU A 93 8.605 5.641 -4.911 1.00 0.73 O ATOM 1404 CB GLU A 93 5.719 7.254 -5.696 1.00 0.82 C ATOM 1405 CG GLU A 93 4.506 7.222 -6.640 1.00 1.44 C ATOM 1406 CD GLU A 93 4.735 8.167 -7.819 1.00 2.14 C ATOM 1407 OE1 GLU A 93 4.393 9.329 -7.693 1.00 2.57 O ATOM 1408 OE2 GLU A 93 5.242 7.708 -8.827 1.00 2.78 O ATOM 0 H GLU A 93 4.296 5.355 -4.942 1.00 0.62 H new ATOM 0 HA GLU A 93 6.650 5.488 -6.509 1.00 0.73 H new ATOM 0 HB2 GLU A 93 5.424 7.645 -4.722 1.00 0.82 H new ATOM 0 HB3 GLU A 93 6.482 7.924 -6.091 1.00 0.82 H new ATOM 0 HG2 GLU A 93 4.344 6.207 -7.003 1.00 1.44 H new ATOM 0 HG3 GLU A 93 3.606 7.514 -6.099 1.00 1.44 H new ATOM 1415 N GLN A 94 7.177 6.090 -3.285 1.00 0.61 N ATOM 1416 CA GLN A 94 8.261 6.098 -2.250 1.00 0.60 C ATOM 1417 C GLN A 94 8.992 4.744 -2.269 1.00 0.54 C ATOM 1418 O GLN A 94 10.206 4.686 -2.200 1.00 0.62 O ATOM 1419 CB GLN A 94 7.638 6.335 -0.869 1.00 0.64 C ATOM 1420 CG GLN A 94 8.081 7.703 -0.323 1.00 0.99 C ATOM 1421 CD GLN A 94 7.317 8.837 -1.019 1.00 1.03 C ATOM 1422 OE1 GLN A 94 7.899 9.832 -1.388 1.00 1.91 O ATOM 1423 NE2 GLN A 94 6.036 8.742 -1.202 1.00 0.90 N ATOM 0 H GLN A 94 6.240 6.276 -2.928 1.00 0.61 H new ATOM 0 HA GLN A 94 8.974 6.894 -2.465 1.00 0.60 H new ATOM 0 HB2 GLN A 94 6.551 6.296 -0.939 1.00 0.64 H new ATOM 0 HB3 GLN A 94 7.941 5.544 -0.183 1.00 0.64 H new ATOM 0 HG2 GLN A 94 7.905 7.745 0.752 1.00 0.99 H new ATOM 0 HG3 GLN A 94 9.152 7.832 -0.476 1.00 0.99 H new ATOM 0 HE21 GLN A 94 5.537 7.907 -0.894 1.00 0.90 H new ATOM 0 HE22 GLN A 94 5.528 9.502 -1.654 1.00 0.90 H new ATOM 1432 N PHE A 95 8.258 3.660 -2.378 1.00 0.54 N ATOM 1433 CA PHE A 95 8.894 2.303 -2.422 1.00 0.57 C ATOM 1434 C PHE A 95 9.804 2.203 -3.659 1.00 0.58 C ATOM 1435 O PHE A 95 10.943 1.785 -3.561 1.00 0.61 O ATOM 1436 CB PHE A 95 7.791 1.234 -2.486 1.00 0.72 C ATOM 1437 CG PHE A 95 8.352 -0.071 -3.011 1.00 0.95 C ATOM 1438 CD1 PHE A 95 9.301 -0.777 -2.265 1.00 1.78 C ATOM 1439 CD2 PHE A 95 7.923 -0.570 -4.244 1.00 1.92 C ATOM 1440 CE1 PHE A 95 9.820 -1.983 -2.752 1.00 2.73 C ATOM 1441 CE2 PHE A 95 8.441 -1.775 -4.731 1.00 2.88 C ATOM 1442 CZ PHE A 95 9.389 -2.483 -3.985 1.00 3.13 C ATOM 0 H PHE A 95 7.240 3.658 -2.439 1.00 0.54 H new ATOM 0 HA PHE A 95 9.497 2.144 -1.528 1.00 0.57 H new ATOM 0 HB2 PHE A 95 7.365 1.082 -1.494 1.00 0.72 H new ATOM 0 HB3 PHE A 95 6.982 1.575 -3.131 1.00 0.72 H new ATOM 0 HD1 PHE A 95 9.634 -0.392 -1.313 1.00 1.78 H new ATOM 0 HD2 PHE A 95 7.191 -0.025 -4.821 1.00 1.92 H new ATOM 0 HE1 PHE A 95 10.553 -2.527 -2.175 1.00 2.73 H new ATOM 0 HE2 PHE A 95 8.108 -2.159 -5.684 1.00 2.88 H new ATOM 0 HZ PHE A 95 9.787 -3.414 -4.360 1.00 3.13 H new ATOM 1452 N ILE A 96 9.311 2.592 -4.815 1.00 0.64 N ATOM 1453 CA ILE A 96 10.150 2.534 -6.060 1.00 0.74 C ATOM 1454 C ILE A 96 11.471 3.278 -5.804 1.00 0.71 C ATOM 1455 O ILE A 96 12.543 2.771 -6.092 1.00 0.83 O ATOM 1456 CB ILE A 96 9.379 3.179 -7.230 1.00 0.88 C ATOM 1457 CG1 ILE A 96 8.655 2.090 -8.026 1.00 1.04 C ATOM 1458 CG2 ILE A 96 10.341 3.910 -8.173 1.00 1.22 C ATOM 1459 CD1 ILE A 96 7.526 1.496 -7.183 1.00 0.93 C ATOM 0 H ILE A 96 8.364 2.947 -4.950 1.00 0.64 H new ATOM 0 HA ILE A 96 10.369 1.499 -6.321 1.00 0.74 H new ATOM 0 HB ILE A 96 8.664 3.892 -6.819 1.00 0.88 H new ATOM 0 HG12 ILE A 96 8.251 2.508 -8.948 1.00 1.04 H new ATOM 0 HG13 ILE A 96 9.358 1.308 -8.312 1.00 1.04 H new ATOM 0 HG21 ILE A 96 9.778 4.358 -8.992 1.00 1.22 H new ATOM 0 HG22 ILE A 96 10.866 4.691 -7.623 1.00 1.22 H new ATOM 0 HG23 ILE A 96 11.065 3.201 -8.576 1.00 1.22 H new ATOM 0 HD11 ILE A 96 7.014 0.722 -7.754 1.00 0.93 H new ATOM 0 HD12 ILE A 96 7.941 1.062 -6.273 1.00 0.93 H new ATOM 0 HD13 ILE A 96 6.817 2.281 -6.919 1.00 0.93 H new ATOM 1471 N HIS A 97 11.400 4.465 -5.245 1.00 0.67 N ATOM 1472 CA HIS A 97 12.647 5.236 -4.946 1.00 0.76 C ATOM 1473 C HIS A 97 13.453 4.491 -3.871 1.00 0.65 C ATOM 1474 O HIS A 97 14.639 4.263 -4.027 1.00 0.77 O ATOM 1475 CB HIS A 97 12.283 6.642 -4.454 1.00 0.94 C ATOM 1476 CG HIS A 97 13.384 7.597 -4.820 1.00 1.28 C ATOM 1477 ND1 HIS A 97 13.131 8.905 -5.193 1.00 1.90 N ATOM 1478 CD2 HIS A 97 14.747 7.445 -4.887 1.00 1.87 C ATOM 1479 CE1 HIS A 97 14.316 9.485 -5.466 1.00 2.19 C ATOM 1480 NE2 HIS A 97 15.333 8.639 -5.294 1.00 2.16 N ATOM 0 H HIS A 97 10.531 4.931 -4.984 1.00 0.67 H new ATOM 0 HA HIS A 97 13.249 5.328 -5.850 1.00 0.76 H new ATOM 0 HB2 HIS A 97 11.343 6.964 -4.902 1.00 0.94 H new ATOM 0 HB3 HIS A 97 12.136 6.635 -3.374 1.00 0.94 H new ATOM 0 HD2 HIS A 97 15.283 6.536 -4.658 1.00 1.87 H new ATOM 0 HE1 HIS A 97 14.429 10.511 -5.785 1.00 2.19 H new ATOM 0 HE2 HIS A 97 16.326 8.827 -5.431 1.00 2.16 H new ATOM 1488 N LEU A 98 12.812 4.093 -2.794 1.00 0.56 N ATOM 1489 CA LEU A 98 13.526 3.339 -1.710 1.00 0.54 C ATOM 1490 C LEU A 98 14.216 2.111 -2.323 1.00 0.49 C ATOM 1491 O LEU A 98 15.377 1.846 -2.061 1.00 0.57 O ATOM 1492 CB LEU A 98 12.509 2.887 -0.654 1.00 0.62 C ATOM 1493 CG LEU A 98 12.650 3.745 0.604 1.00 0.63 C ATOM 1494 CD1 LEU A 98 12.019 5.114 0.363 1.00 1.14 C ATOM 1495 CD2 LEU A 98 11.934 3.062 1.767 1.00 0.59 C ATOM 0 H LEU A 98 11.821 4.259 -2.619 1.00 0.56 H new ATOM 0 HA LEU A 98 14.273 3.980 -1.241 1.00 0.54 H new ATOM 0 HB2 LEU A 98 11.497 2.971 -1.051 1.00 0.62 H new ATOM 0 HB3 LEU A 98 12.669 1.837 -0.409 1.00 0.62 H new ATOM 0 HG LEU A 98 13.707 3.866 0.841 1.00 0.63 H new ATOM 0 HD11 LEU A 98 12.120 5.724 1.260 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.523 5.606 -0.469 1.00 1.14 H new ATOM 0 HD13 LEU A 98 10.962 4.991 0.125 1.00 1.14 H new ATOM 0 HD21 LEU A 98 12.034 3.672 2.665 1.00 0.59 H new ATOM 0 HD22 LEU A 98 10.878 2.943 1.525 1.00 0.59 H new ATOM 0 HD23 LEU A 98 12.379 2.083 1.943 1.00 0.59 H new ATOM 1507 N ARG A 99 13.511 1.378 -3.152 1.00 0.48 N ATOM 1508 CA ARG A 99 14.111 0.176 -3.812 1.00 0.57 C ATOM 1509 C ARG A 99 15.333 0.613 -4.635 1.00 0.59 C ATOM 1510 O ARG A 99 16.421 0.092 -4.469 1.00 0.75 O ATOM 1511 CB ARG A 99 13.063 -0.469 -4.732 1.00 0.77 C ATOM 1512 CG ARG A 99 13.239 -1.995 -4.732 1.00 1.37 C ATOM 1513 CD ARG A 99 13.200 -2.526 -6.168 1.00 1.53 C ATOM 1514 NE ARG A 99 14.397 -3.389 -6.402 1.00 2.01 N ATOM 1515 CZ ARG A 99 14.341 -4.417 -7.190 1.00 2.50 C ATOM 1516 NH1 ARG A 99 13.416 -5.302 -7.047 1.00 3.06 N ATOM 1517 NH2 ARG A 99 15.220 -4.554 -8.116 1.00 3.03 N ATOM 0 H ARG A 99 12.539 1.563 -3.401 1.00 0.48 H new ATOM 0 HA ARG A 99 14.423 -0.548 -3.060 1.00 0.57 H new ATOM 0 HB2 ARG A 99 12.060 -0.209 -4.394 1.00 0.77 H new ATOM 0 HB3 ARG A 99 13.168 -0.082 -5.745 1.00 0.77 H new ATOM 0 HG2 ARG A 99 14.187 -2.260 -4.263 1.00 1.37 H new ATOM 0 HG3 ARG A 99 12.450 -2.461 -4.142 1.00 1.37 H new ATOM 0 HD2 ARG A 99 12.286 -3.097 -6.333 1.00 1.53 H new ATOM 0 HD3 ARG A 99 13.190 -1.697 -6.876 1.00 1.53 H new ATOM 0 HE ARG A 99 15.275 -3.165 -5.933 1.00 2.01 H new ATOM 0 HH11 ARG A 99 12.720 -5.197 -6.309 1.00 3.06 H new ATOM 0 HH12 ARG A 99 13.380 -6.107 -7.672 1.00 3.06 H new ATOM 0 HH21 ARG A 99 15.956 -3.857 -8.228 1.00 3.03 H new ATOM 0 HH22 ARG A 99 15.182 -5.360 -8.740 1.00 3.03 H new ATOM 1531 N ALA A 100 15.157 1.581 -5.506 1.00 0.59 N ATOM 1532 CA ALA A 100 16.297 2.080 -6.341 1.00 0.70 C ATOM 1533 C ALA A 100 17.445 2.558 -5.433 1.00 0.67 C ATOM 1534 O ALA A 100 18.608 2.429 -5.773 1.00 0.88 O ATOM 1535 CB ALA A 100 15.805 3.243 -7.210 1.00 0.86 C ATOM 0 H ALA A 100 14.266 2.049 -5.674 1.00 0.59 H new ATOM 0 HA ALA A 100 16.665 1.274 -6.976 1.00 0.70 H new ATOM 0 HB1 ALA A 100 16.628 3.613 -7.822 1.00 0.86 H new ATOM 0 HB2 ALA A 100 14.998 2.898 -7.857 1.00 0.86 H new ATOM 0 HB3 ALA A 100 15.439 4.046 -6.570 1.00 0.86 H new ATOM 1541 N VAL A 101 17.124 3.107 -4.285 1.00 0.59 N ATOM 1542 CA VAL A 101 18.187 3.591 -3.348 1.00 0.75 C ATOM 1543 C VAL A 101 19.005 2.395 -2.839 1.00 0.87 C ATOM 1544 O VAL A 101 20.197 2.323 -3.060 1.00 1.11 O ATOM 1545 CB VAL A 101 17.539 4.320 -2.160 1.00 0.89 C ATOM 1546 CG1 VAL A 101 18.612 4.710 -1.141 1.00 1.64 C ATOM 1547 CG2 VAL A 101 16.841 5.589 -2.652 1.00 1.32 C ATOM 0 H VAL A 101 16.168 3.241 -3.956 1.00 0.59 H new ATOM 0 HA VAL A 101 18.846 4.282 -3.874 1.00 0.75 H new ATOM 0 HB VAL A 101 16.813 3.655 -1.693 1.00 0.89 H new ATOM 0 HG11 VAL A 101 18.146 5.226 -0.302 1.00 1.64 H new ATOM 0 HG12 VAL A 101 19.115 3.813 -0.781 1.00 1.64 H new ATOM 0 HG13 VAL A 101 19.340 5.369 -1.614 1.00 1.64 H new ATOM 0 HG21 VAL A 101 16.383 6.103 -1.807 1.00 1.32 H new ATOM 0 HG22 VAL A 101 17.571 6.246 -3.124 1.00 1.32 H new ATOM 0 HG23 VAL A 101 16.071 5.323 -3.376 1.00 1.32 H new ATOM 1557 N SER A 102 18.370 1.460 -2.167 1.00 0.90 N ATOM 1558 CA SER A 102 19.104 0.258 -1.631 1.00 1.22 C ATOM 1559 C SER A 102 19.937 -0.414 -2.733 1.00 1.28 C ATOM 1560 O SER A 102 21.031 -0.883 -2.483 1.00 1.57 O ATOM 1561 CB SER A 102 18.097 -0.752 -1.073 1.00 1.36 C ATOM 1562 OG SER A 102 17.890 -0.509 0.320 1.00 2.17 O ATOM 0 H SER A 102 17.370 1.475 -1.964 1.00 0.90 H new ATOM 0 HA SER A 102 19.776 0.592 -0.840 1.00 1.22 H new ATOM 0 HB2 SER A 102 17.152 -0.672 -1.610 1.00 1.36 H new ATOM 0 HB3 SER A 102 18.464 -1.767 -1.224 1.00 1.36 H new ATOM 0 HG SER A 102 17.244 -1.156 0.672 1.00 2.17 H new ATOM 1568 N GLU A 103 19.438 -0.468 -3.947 1.00 1.12 N ATOM 1569 CA GLU A 103 20.223 -1.107 -5.054 1.00 1.34 C ATOM 1570 C GLU A 103 21.559 -0.358 -5.237 1.00 1.55 C ATOM 1571 O GLU A 103 22.570 -0.946 -5.583 1.00 2.00 O ATOM 1572 CB GLU A 103 19.412 -1.052 -6.353 1.00 1.31 C ATOM 1573 CG GLU A 103 18.958 -2.469 -6.740 1.00 1.78 C ATOM 1574 CD GLU A 103 17.435 -2.569 -6.703 1.00 2.33 C ATOM 1575 OE1 GLU A 103 16.899 -2.853 -5.644 1.00 2.97 O ATOM 1576 OE2 GLU A 103 16.822 -2.391 -7.743 1.00 2.76 O ATOM 0 H GLU A 103 18.526 -0.100 -4.218 1.00 1.12 H new ATOM 0 HA GLU A 103 20.428 -2.148 -4.803 1.00 1.34 H new ATOM 0 HB2 GLU A 103 18.545 -0.404 -6.225 1.00 1.31 H new ATOM 0 HB3 GLU A 103 20.016 -0.622 -7.152 1.00 1.31 H new ATOM 0 HG2 GLU A 103 19.321 -2.714 -7.738 1.00 1.78 H new ATOM 0 HG3 GLU A 103 19.393 -3.197 -6.055 1.00 1.78 H new ATOM 1583 N ALA A 104 21.567 0.932 -4.988 1.00 1.48 N ATOM 1584 CA ALA A 104 22.825 1.736 -5.119 1.00 1.76 C ATOM 1585 C ALA A 104 23.509 1.852 -3.743 1.00 2.07 C ATOM 1586 O ALA A 104 24.720 1.736 -3.632 1.00 2.46 O ATOM 1587 CB ALA A 104 22.472 3.135 -5.637 1.00 1.70 C ATOM 0 H ALA A 104 20.748 1.466 -4.697 1.00 1.48 H new ATOM 0 HA ALA A 104 23.504 1.246 -5.816 1.00 1.76 H new ATOM 0 HB1 ALA A 104 23.382 3.727 -5.735 1.00 1.70 H new ATOM 0 HB2 ALA A 104 21.987 3.051 -6.609 1.00 1.70 H new ATOM 0 HB3 ALA A 104 21.796 3.623 -4.935 1.00 1.70 H new ATOM 1593 N THR A 105 22.741 2.082 -2.704 1.00 2.19 N ATOM 1594 CA THR A 105 23.318 2.210 -1.323 1.00 2.68 C ATOM 1595 C THR A 105 22.197 2.014 -0.283 1.00 3.22 C ATOM 1596 O THR A 105 21.276 2.820 -0.258 1.00 3.74 O ATOM 1597 CB THR A 105 23.953 3.605 -1.140 1.00 3.00 C ATOM 1598 OG1 THR A 105 25.000 3.807 -2.088 1.00 3.47 O ATOM 1599 CG2 THR A 105 24.537 3.727 0.267 1.00 3.40 C ATOM 0 H THR A 105 21.728 2.188 -2.753 1.00 2.19 H new ATOM 0 HA THR A 105 24.087 1.450 -1.184 1.00 2.68 H new ATOM 0 HB THR A 105 23.178 4.356 -1.292 1.00 3.00 H new ATOM 0 HG1 THR A 105 25.255 2.947 -2.482 1.00 3.47 H new ATOM 0 HG21 THR A 105 24.984 4.713 0.391 1.00 3.40 H new ATOM 0 HG22 THR A 105 23.744 3.593 1.003 1.00 3.40 H new ATOM 0 HG23 THR A 105 25.300 2.962 0.412 1.00 3.40 H new TER 1607 THR A 105 END