USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) HEADER CALCIUM-BINDING PROTEIN 18-AUG-93 2BCA TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF CALCIUM-LOADED TITLE 2 CALBINDIN D9K COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALBINDIN D9K; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS CALCIUM-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR J.KORDEL,N.J.SKELTON,M.AKKE,W.J.CHAZIN REVDAT 3 24-FEB-09 2BCA 1 VERSN REVDAT 2 01-APR-03 2BCA 1 JRNL REVDAT 1 31-OCT-93 2BCA 0 JRNL AUTH J.KORDEL,N.J.SKELTON,M.AKKE,W.J.CHAZIN JRNL TITL HIGH-RESOLUTION STRUCTURE OF CALCIUM-LOADED JRNL TITL 2 CALBINDIN D9K. JRNL REF J.MOL.BIOL. V. 231 711 1993 JRNL REFN ISSN 0022-2836 JRNL PMID 8515447 JRNL DOI 10.1006/JMBI.1993.1322 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.KORDEL,S.FORSEN,T.DRAKENBERG,W.J.CHAZIN REMARK 1 TITL THE RATE AND STRUCTURAL CONSEQUENCES OF PROLINE REMARK 1 TITL 2 CIS-TRANS ISOMERIZATION IN CALBINDIN D9K: NMR REMARK 1 TITL 3 STUDIES OF THE MINOR (CIS-PRO43) ISOFORM AND THE REMARK 1 TITL 4 PRO43GLY MUTANT REMARK 1 REF BIOCHEMISTRY V. 29 4400 1990 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.KORDEL,S.FORSEN,W.J.CHAZIN REMARK 1 TITL 1H NMR SEQUENTIAL RESONANCE ASSIGNMENTS, SECONDARY REMARK 1 TITL 2 STRUCTURE, AND GLOBAL FOLD IN SOLUTION OF THE REMARK 1 TITL 3 MAJOR (TRANS-PRO43) FORM OF BOVINE CALBINDIN D9K REMARK 1 REF BIOCHEMISTRY V. 28 7065 1989 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.M.E.SZEBENYI,K.MOFFAT REMARK 1 TITL THE REFINED STRUCTURE OF VITAMIN D-DEPENDENT REMARK 1 TITL 2 CALCIUM-BINDING PROTEIN FROM BOVINE INTESTINE. REMARK 1 TITL 3 MOLECULAR DETAILS, ION BINDING, AND IMPLICATIONS REMARK 1 TITL 4 FOR THE STRUCTURE OF OTHER CALCIUM-BINDING PROTEINS REMARK 1 REF J.BIOL.CHEM. V. 261 8761 1986 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISGEO, AMBER REMARK 3 AUTHORS : HAVEL,WUTHRICH (DISGEO), PEARLMAN,CASE, REMARK 3 CALDWELL,SIEBEL,SINGH,WEINER,KOLLMAN (AMBER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2BCA 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 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 MET A 0 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2BCB RELATED DB: PDB DBREF 2BCA A 1 75 UNP P02633 S100G_BOVIN 4 78 SEQADV 2BCA GLY A 43 UNP P02633 PRO 46 CONFLICT SEQRES 1 A 76 MET LYS SER PRO GLU GLU LEU LYS GLY ILE PHE GLU LYS SEQRES 2 A 76 TYR ALA ALA LYS GLU GLY ASP PRO ASN GLN LEU SER LYS SEQRES 3 A 76 GLU GLU LEU LYS LEU LEU LEU GLN THR GLU PHE PRO SER SEQRES 4 A 76 LEU LEU LYS GLY GLY SER THR LEU ASP GLU LEU PHE GLU SEQRES 5 A 76 GLU LEU ASP LYS ASN GLY ASP GLY GLU VAL SER PHE GLU SEQRES 6 A 76 GLU PHE GLN VAL LEU VAL LYS LYS ILE SER GLN HELIX 1 1 SER A 2 ALA A 15 1 14 HELIX 2 2 LYS A 25 PHE A 36 1 12 HELIX 3 3 THR A 45 ASP A 54 1 10 HELIX 4 4 PHE A 63 GLN A 75 1 13 SHEET 1 A 2 GLN A 22 SER A 24 0 SHEET 2 A 2 GLU A 60 SER A 62 -1 N VAL A 61 O LEU A 23 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.593 K(o=2.6,f=1.3) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.01 K(o=2.6,f=1.3) USER MOD Set 2.1: A 13 TYR OH : rot 148:sc= 0.905 USER MOD Set 2.2: A 34 THR OG1 : rot 71:sc= 2.14 USER MOD Single : A 1 LYS N :NH3+ -115:sc= 0.081 (180deg=-0.887) USER MOD Single : A 1 LYS NZ :NH3+ -170:sc= 0.457 (180deg=0.405) USER MOD Single : A 2 SER OG : rot -97:sc= 1.32 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0.963 (180deg=0.843) USER MOD Single : A 24 SER OG : rot -119:sc= 0.579 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0.749 (180deg=0.705) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc=-0.00223 (180deg=-0.114) USER MOD Single : A 33 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.15) USER MOD Single : A 38 SER OG : rot 180:sc= 0.313 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0724) USER MOD Single : A 44 SER OG : rot 180:sc= -0.149 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.476 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.79 K(o=0.79,f=-0.072) USER MOD Single : A 62 SER OG : rot 180:sc= 0.457 USER MOD Single : A 67 GLN : amide:sc= 1.05 K(o=1.1,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0369) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0.37 (180deg=0.353) USER MOD Single : A 74 SER OG : rot 76:sc= 1.23 USER MOD Single : A 75 GLN : amide:sc= 1.04 K(o=1,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.485 -4.751 -2.469 1.00 0.00 N ATOM 2 CA LYS A 1 -12.750 -3.502 -2.509 1.00 0.00 C ATOM 3 C LYS A 1 -13.328 -2.619 -3.619 1.00 0.00 C ATOM 4 O LYS A 1 -14.137 -3.067 -4.429 1.00 0.00 O ATOM 5 CB LYS A 1 -11.250 -3.776 -2.720 1.00 0.00 C ATOM 6 CG LYS A 1 -10.468 -3.893 -1.405 1.00 0.00 C ATOM 7 CD LYS A 1 -10.908 -5.079 -0.540 1.00 0.00 C ATOM 8 CE LYS A 1 -10.063 -5.116 0.739 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.419 -6.256 1.600 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.995 -4.825 -1.566 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.166 -4.778 -3.255 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.822 -5.547 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.852 -2.975 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.132 -4.698 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.821 -2.974 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.406 -3.991 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.590 -2.972 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.965 -4.988 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.791 -6.011 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.007 -5.176 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.201 -4.187 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.952 -6.153 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.450 -6.281 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.107 -7.141 1.151 1.00 0.00 H new ATOM 22 N SER A 2 -12.901 -1.359 -3.643 1.00 0.00 N ATOM 23 CA SER A 2 -13.286 -0.322 -4.586 1.00 0.00 C ATOM 24 C SER A 2 -12.309 0.830 -4.339 1.00 0.00 C ATOM 25 O SER A 2 -11.684 0.832 -3.277 1.00 0.00 O ATOM 26 CB SER A 2 -14.727 0.122 -4.304 1.00 0.00 C ATOM 27 OG SER A 2 -14.827 0.605 -2.976 1.00 0.00 O ATOM 0 H SER A 2 -12.231 -1.016 -2.955 1.00 0.00 H new ATOM 0 HA SER A 2 -13.248 -0.664 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.022 0.901 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.410 -0.715 -4.449 1.00 0.00 H new ATOM 0 HG SER A 2 -15.160 -0.108 -2.393 1.00 0.00 H new ATOM 33 N PRO A 3 -12.157 1.804 -5.253 1.00 0.00 N ATOM 34 CA PRO A 3 -11.272 2.942 -5.038 1.00 0.00 C ATOM 35 C PRO A 3 -11.535 3.601 -3.680 1.00 0.00 C ATOM 36 O PRO A 3 -10.603 3.896 -2.936 1.00 0.00 O ATOM 37 CB PRO A 3 -11.541 3.898 -6.207 1.00 0.00 C ATOM 38 CG PRO A 3 -12.009 2.954 -7.315 1.00 0.00 C ATOM 39 CD PRO A 3 -12.811 1.903 -6.547 1.00 0.00 C ATOM 0 HA PRO A 3 -10.224 2.643 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.302 4.638 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.645 4.447 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.622 3.470 -8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.169 2.511 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.854 2.202 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.806 0.945 -7.067 1.00 0.00 H new ATOM 47 N GLU A 4 -12.815 3.811 -3.359 1.00 0.00 N ATOM 48 CA GLU A 4 -13.249 4.407 -2.105 1.00 0.00 C ATOM 49 C GLU A 4 -12.740 3.582 -0.919 1.00 0.00 C ATOM 50 O GLU A 4 -12.059 4.112 -0.045 1.00 0.00 O ATOM 51 CB GLU A 4 -14.781 4.524 -2.108 1.00 0.00 C ATOM 52 CG GLU A 4 -15.301 5.263 -0.868 1.00 0.00 C ATOM 53 CD GLU A 4 -16.819 5.398 -0.912 1.00 0.00 C ATOM 54 OE1 GLU A 4 -17.486 4.449 -0.446 1.00 0.00 O ATOM 55 OE2 GLU A 4 -17.282 6.440 -1.424 1.00 0.00 O ATOM 0 H GLU A 4 -13.587 3.565 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.829 5.407 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.103 5.051 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.221 3.528 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.006 4.724 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.845 6.252 -0.811 1.00 0.00 H new ATOM 62 N GLU A 5 -13.067 2.287 -0.881 1.00 0.00 N ATOM 63 CA GLU A 5 -12.641 1.417 0.209 1.00 0.00 C ATOM 64 C GLU A 5 -11.116 1.407 0.322 1.00 0.00 C ATOM 65 O GLU A 5 -10.574 1.558 1.413 1.00 0.00 O ATOM 66 CB GLU A 5 -13.185 0.001 0.003 1.00 0.00 C ATOM 67 CG GLU A 5 -14.701 -0.051 0.230 1.00 0.00 C ATOM 68 CD GLU A 5 -15.264 -1.402 -0.192 1.00 0.00 C ATOM 69 OE1 GLU A 5 -15.364 -1.598 -1.423 1.00 0.00 O ATOM 70 OE2 GLU A 5 -15.558 -2.212 0.712 1.00 0.00 O ATOM 0 H GLU A 5 -13.626 1.821 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.046 1.804 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.954 -0.336 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.688 -0.685 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.922 0.128 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.186 0.744 -0.337 1.00 0.00 H new ATOM 77 N LEU A 6 -10.422 1.234 -0.804 1.00 0.00 N ATOM 78 CA LEU A 6 -8.968 1.209 -0.851 1.00 0.00 C ATOM 79 C LEU A 6 -8.414 2.495 -0.241 1.00 0.00 C ATOM 80 O LEU A 6 -7.548 2.435 0.628 1.00 0.00 O ATOM 81 CB LEU A 6 -8.489 1.017 -2.298 1.00 0.00 C ATOM 82 CG LEU A 6 -8.745 -0.408 -2.820 1.00 0.00 C ATOM 83 CD1 LEU A 6 -8.693 -0.411 -4.350 1.00 0.00 C ATOM 84 CD2 LEU A 6 -7.704 -1.398 -2.282 1.00 0.00 C ATOM 0 H LEU A 6 -10.862 1.107 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.596 0.368 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.997 1.734 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.423 1.236 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.730 -0.720 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.874 -1.421 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.457 0.261 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.710 -0.075 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.915 -2.394 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.709 -1.088 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.748 -1.416 -1.193 1.00 0.00 H new ATOM 96 N LYS A 7 -8.912 3.655 -0.675 1.00 0.00 N ATOM 97 CA LYS A 7 -8.476 4.937 -0.141 1.00 0.00 C ATOM 98 C LYS A 7 -8.761 5.001 1.361 1.00 0.00 C ATOM 99 O LYS A 7 -7.903 5.412 2.135 1.00 0.00 O ATOM 100 CB LYS A 7 -9.138 6.089 -0.908 1.00 0.00 C ATOM 101 CG LYS A 7 -8.463 7.424 -0.566 1.00 0.00 C ATOM 102 CD LYS A 7 -9.050 8.557 -1.412 1.00 0.00 C ATOM 103 CE LYS A 7 -8.320 9.869 -1.104 1.00 0.00 C ATOM 104 NZ LYS A 7 -8.860 10.983 -1.900 1.00 0.00 N ATOM 0 H LYS A 7 -9.624 3.727 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.399 5.040 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.070 5.905 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.198 6.137 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.599 7.646 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.390 7.350 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.956 8.318 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.114 8.665 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.414 10.099 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.256 9.753 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.345 11.857 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.748 10.773 -2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.869 11.108 -1.682 1.00 0.00 H new ATOM 118 N GLY A 8 -9.961 4.588 1.773 1.00 0.00 N ATOM 119 CA GLY A 8 -10.369 4.572 3.168 1.00 0.00 C ATOM 120 C GLY A 8 -9.382 3.773 4.018 1.00 0.00 C ATOM 121 O GLY A 8 -8.800 4.305 4.960 1.00 0.00 O ATOM 0 H GLY A 8 -10.682 4.252 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.434 5.593 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.365 4.137 3.254 1.00 0.00 H new ATOM 125 N ILE A 9 -9.182 2.495 3.686 1.00 0.00 N ATOM 126 CA ILE A 9 -8.269 1.620 4.412 1.00 0.00 C ATOM 127 C ILE A 9 -6.855 2.205 4.367 1.00 0.00 C ATOM 128 O ILE A 9 -6.196 2.294 5.400 1.00 0.00 O ATOM 129 CB ILE A 9 -8.332 0.184 3.858 1.00 0.00 C ATOM 130 CG1 ILE A 9 -9.729 -0.457 3.992 1.00 0.00 C ATOM 131 CG2 ILE A 9 -7.286 -0.711 4.537 1.00 0.00 C ATOM 132 CD1 ILE A 9 -10.202 -0.687 5.432 1.00 0.00 C ATOM 0 H ILE A 9 -9.652 2.040 2.903 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.572 1.561 5.458 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.113 0.263 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.454 0.179 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.725 -1.414 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.350 -1.720 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.290 -0.309 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.474 -0.741 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.193 -1.141 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.504 -1.351 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.245 0.267 5.957 1.00 0.00 H new ATOM 144 N PHE A 10 -6.393 2.612 3.180 1.00 0.00 N ATOM 145 CA PHE A 10 -5.081 3.217 2.991 1.00 0.00 C ATOM 146 C PHE A 10 -4.885 4.340 4.007 1.00 0.00 C ATOM 147 O PHE A 10 -3.932 4.322 4.780 1.00 0.00 O ATOM 148 CB PHE A 10 -4.943 3.723 1.544 1.00 0.00 C ATOM 149 CG PHE A 10 -3.680 4.514 1.262 1.00 0.00 C ATOM 150 CD1 PHE A 10 -3.600 5.871 1.626 1.00 0.00 C ATOM 151 CD2 PHE A 10 -2.569 3.892 0.665 1.00 0.00 C ATOM 152 CE1 PHE A 10 -2.372 6.543 1.558 1.00 0.00 C ATOM 153 CE2 PHE A 10 -1.353 4.588 0.542 1.00 0.00 C ATOM 154 CZ PHE A 10 -1.241 5.894 1.040 1.00 0.00 C ATOM 0 H PHE A 10 -6.930 2.527 2.317 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.300 2.475 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.976 2.867 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.805 4.347 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.485 6.394 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.650 2.879 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.296 7.563 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.506 4.117 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.287 6.399 1.025 1.00 0.00 H new ATOM 164 N GLU A 11 -5.801 5.310 4.007 1.00 0.00 N ATOM 165 CA GLU A 11 -5.765 6.466 4.883 1.00 0.00 C ATOM 166 C GLU A 11 -5.791 6.034 6.350 1.00 0.00 C ATOM 167 O GLU A 11 -4.952 6.463 7.140 1.00 0.00 O ATOM 168 CB GLU A 11 -6.937 7.392 4.526 1.00 0.00 C ATOM 169 CG GLU A 11 -6.819 8.753 5.219 1.00 0.00 C ATOM 170 CD GLU A 11 -7.953 9.680 4.800 1.00 0.00 C ATOM 171 OE1 GLU A 11 -7.874 10.195 3.663 1.00 0.00 O ATOM 172 OE2 GLU A 11 -8.883 9.849 5.616 1.00 0.00 O ATOM 0 H GLU A 11 -6.605 5.307 3.380 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.835 7.016 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.971 7.536 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.875 6.918 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.837 8.617 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.861 9.210 4.971 1.00 0.00 H new ATOM 179 N LYS A 12 -6.756 5.183 6.709 1.00 0.00 N ATOM 180 CA LYS A 12 -6.931 4.672 8.060 1.00 0.00 C ATOM 181 C LYS A 12 -5.617 4.091 8.584 1.00 0.00 C ATOM 182 O LYS A 12 -5.207 4.394 9.702 1.00 0.00 O ATOM 183 CB LYS A 12 -8.053 3.622 8.067 1.00 0.00 C ATOM 184 CG LYS A 12 -8.418 3.171 9.488 1.00 0.00 C ATOM 185 CD LYS A 12 -9.510 2.091 9.484 1.00 0.00 C ATOM 186 CE LYS A 12 -8.979 0.737 8.993 1.00 0.00 C ATOM 187 NZ LYS A 12 -10.014 -0.307 9.074 1.00 0.00 N ATOM 0 H LYS A 12 -7.449 4.826 6.051 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.216 5.487 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.937 4.034 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.742 2.757 7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.528 2.786 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.760 4.030 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.912 1.979 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.333 2.411 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.635 0.831 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.117 0.444 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.624 -1.210 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.324 -0.413 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.826 -0.037 8.483 1.00 0.00 H new ATOM 201 N TYR A 13 -4.959 3.253 7.785 1.00 0.00 N ATOM 202 CA TYR A 13 -3.691 2.649 8.157 1.00 0.00 C ATOM 203 C TYR A 13 -2.612 3.733 8.217 1.00 0.00 C ATOM 204 O TYR A 13 -2.023 3.964 9.272 1.00 0.00 O ATOM 205 CB TYR A 13 -3.349 1.502 7.195 1.00 0.00 C ATOM 206 CG TYR A 13 -3.913 0.159 7.631 1.00 0.00 C ATOM 207 CD1 TYR A 13 -5.304 -0.032 7.715 1.00 0.00 C ATOM 208 CD2 TYR A 13 -3.044 -0.856 8.079 1.00 0.00 C ATOM 209 CE1 TYR A 13 -5.822 -1.224 8.250 1.00 0.00 C ATOM 210 CE2 TYR A 13 -3.565 -2.046 8.616 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.953 -2.229 8.703 1.00 0.00 C ATOM 212 OH TYR A 13 -5.463 -3.365 9.250 1.00 0.00 O ATOM 0 H TYR A 13 -5.294 2.977 6.862 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.756 2.205 9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.731 1.743 6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.265 1.422 7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.976 0.739 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.975 -0.719 8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.891 -1.367 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.896 -2.820 8.962 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.868 -4.118 9.054 1.00 0.00 H new ATOM 222 N ALA A 14 -2.365 4.399 7.086 1.00 0.00 N ATOM 223 CA ALA A 14 -1.374 5.457 6.926 1.00 0.00 C ATOM 224 C ALA A 14 -1.351 6.404 8.122 1.00 0.00 C ATOM 225 O ALA A 14 -0.282 6.688 8.650 1.00 0.00 O ATOM 226 CB ALA A 14 -1.632 6.207 5.620 1.00 0.00 C ATOM 0 H ALA A 14 -2.873 4.205 6.223 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.386 4.999 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.891 6.997 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.560 5.514 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.630 6.646 5.643 1.00 0.00 H new ATOM 232 N ALA A 15 -2.523 6.873 8.554 1.00 0.00 N ATOM 233 CA ALA A 15 -2.692 7.784 9.678 1.00 0.00 C ATOM 234 C ALA A 15 -1.892 7.409 10.934 1.00 0.00 C ATOM 235 O ALA A 15 -1.505 8.305 11.679 1.00 0.00 O ATOM 236 CB ALA A 15 -4.181 7.905 10.014 1.00 0.00 C ATOM 0 H ALA A 15 -3.407 6.618 8.114 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.285 8.743 9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.310 8.586 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.719 8.291 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.575 6.924 10.278 1.00 0.00 H new ATOM 242 N LYS A 16 -1.637 6.122 11.200 1.00 0.00 N ATOM 243 CA LYS A 16 -0.888 5.731 12.394 1.00 0.00 C ATOM 244 C LYS A 16 0.613 6.042 12.288 1.00 0.00 C ATOM 245 O LYS A 16 1.299 6.027 13.309 1.00 0.00 O ATOM 246 CB LYS A 16 -1.115 4.248 12.741 1.00 0.00 C ATOM 247 CG LYS A 16 -2.385 4.005 13.573 1.00 0.00 C ATOM 248 CD LYS A 16 -3.657 3.808 12.742 1.00 0.00 C ATOM 249 CE LYS A 16 -3.697 2.410 12.113 1.00 0.00 C ATOM 250 NZ LYS A 16 -5.000 2.159 11.478 1.00 0.00 N ATOM 0 H LYS A 16 -1.935 5.344 10.611 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.280 6.340 13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.178 3.672 11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.252 3.875 13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.233 3.124 14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.532 4.850 14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.533 3.950 13.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.703 4.564 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.903 2.317 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.509 1.657 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.976 1.243 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.743 2.142 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.203 2.914 10.793 1.00 0.00 H new ATOM 264 N GLU A 17 1.139 6.320 11.092 1.00 0.00 N ATOM 265 CA GLU A 17 2.549 6.617 10.870 1.00 0.00 C ATOM 266 C GLU A 17 2.665 7.784 9.877 1.00 0.00 C ATOM 267 O GLU A 17 1.676 8.456 9.609 1.00 0.00 O ATOM 268 CB GLU A 17 3.269 5.340 10.389 1.00 0.00 C ATOM 269 CG GLU A 17 3.284 4.244 11.468 1.00 0.00 C ATOM 270 CD GLU A 17 4.139 3.042 11.065 1.00 0.00 C ATOM 271 OE1 GLU A 17 5.266 3.288 10.581 1.00 0.00 O ATOM 272 OE2 GLU A 17 3.656 1.901 11.225 1.00 0.00 O ATOM 0 H GLU A 17 0.583 6.344 10.237 1.00 0.00 H new ATOM 0 HA GLU A 17 3.036 6.929 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.775 4.961 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.293 5.586 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.664 4.661 12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.263 3.913 11.660 1.00 0.00 H new ATOM 279 N GLY A 18 3.875 8.013 9.350 1.00 0.00 N ATOM 280 CA GLY A 18 4.257 9.032 8.372 1.00 0.00 C ATOM 281 C GLY A 18 3.283 10.201 8.221 1.00 0.00 C ATOM 282 O GLY A 18 3.458 11.243 8.846 1.00 0.00 O ATOM 0 H GLY A 18 4.675 7.442 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.233 9.429 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.374 8.552 7.400 1.00 0.00 H new ATOM 286 N ASP A 19 2.264 10.027 7.378 1.00 0.00 N ATOM 287 CA ASP A 19 1.234 11.008 7.088 1.00 0.00 C ATOM 288 C ASP A 19 0.069 10.215 6.488 1.00 0.00 C ATOM 289 O ASP A 19 0.344 9.230 5.811 1.00 0.00 O ATOM 290 CB ASP A 19 1.806 12.025 6.084 1.00 0.00 C ATOM 291 CG ASP A 19 0.781 13.056 5.626 1.00 0.00 C ATOM 292 OD1 ASP A 19 -0.086 12.669 4.815 1.00 0.00 O ATOM 293 OD2 ASP A 19 0.869 14.204 6.110 1.00 0.00 O ATOM 0 H ASP A 19 2.134 9.158 6.859 1.00 0.00 H new ATOM 0 HA ASP A 19 0.901 11.562 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.652 12.540 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.189 11.491 5.214 1.00 0.00 H new ATOM 298 N PRO A 20 -1.205 10.593 6.689 1.00 0.00 N ATOM 299 CA PRO A 20 -2.349 9.884 6.116 1.00 0.00 C ATOM 300 C PRO A 20 -2.244 9.621 4.603 1.00 0.00 C ATOM 301 O PRO A 20 -2.846 8.676 4.105 1.00 0.00 O ATOM 302 CB PRO A 20 -3.587 10.715 6.477 1.00 0.00 C ATOM 303 CG PRO A 20 -3.028 12.078 6.887 1.00 0.00 C ATOM 304 CD PRO A 20 -1.668 11.723 7.479 1.00 0.00 C ATOM 0 HA PRO A 20 -2.400 8.879 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.266 10.804 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.150 10.256 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.935 12.750 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.669 12.575 7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.976 12.563 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.751 11.461 8.534 1.00 0.00 H new ATOM 312 N ASN A 21 -1.493 10.435 3.858 1.00 0.00 N ATOM 313 CA ASN A 21 -1.295 10.272 2.418 1.00 0.00 C ATOM 314 C ASN A 21 -0.184 9.263 2.079 1.00 0.00 C ATOM 315 O ASN A 21 -0.029 8.921 0.909 1.00 0.00 O ATOM 316 CB ASN A 21 -0.943 11.648 1.830 1.00 0.00 C ATOM 317 CG ASN A 21 -0.577 11.597 0.346 1.00 0.00 C ATOM 318 OD1 ASN A 21 -1.390 11.253 -0.503 1.00 0.00 O ATOM 319 ND2 ASN A 21 0.659 11.930 -0.001 1.00 0.00 N ATOM 0 H ASN A 21 -0.998 11.238 4.245 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.215 9.876 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.790 12.320 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.108 12.071 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.939 11.901 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.330 12.215 0.713 1.00 0.00 H new ATOM 326 N GLN A 22 0.600 8.803 3.063 1.00 0.00 N ATOM 327 CA GLN A 22 1.775 7.956 2.872 1.00 0.00 C ATOM 328 C GLN A 22 1.879 6.754 3.825 1.00 0.00 C ATOM 329 O GLN A 22 1.981 6.925 5.036 1.00 0.00 O ATOM 330 CB GLN A 22 2.988 8.877 3.075 1.00 0.00 C ATOM 331 CG GLN A 22 3.258 9.762 1.849 1.00 0.00 C ATOM 332 CD GLN A 22 3.516 11.209 2.243 1.00 0.00 C ATOM 333 OE1 GLN A 22 2.716 12.091 1.948 1.00 0.00 O ATOM 334 NE2 GLN A 22 4.625 11.486 2.911 1.00 0.00 N ATOM 0 H GLN A 22 0.424 9.020 4.044 1.00 0.00 H new ATOM 0 HA GLN A 22 1.716 7.509 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.820 9.509 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.870 8.272 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.119 9.375 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.405 9.716 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.278 10.739 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.826 12.446 3.189 1.00 0.00 H new ATOM 343 N LEU A 23 1.907 5.534 3.276 1.00 0.00 N ATOM 344 CA LEU A 23 2.081 4.305 4.050 1.00 0.00 C ATOM 345 C LEU A 23 3.578 4.019 4.187 1.00 0.00 C ATOM 346 O LEU A 23 4.247 3.801 3.179 1.00 0.00 O ATOM 347 CB LEU A 23 1.465 3.101 3.319 1.00 0.00 C ATOM 348 CG LEU A 23 -0.063 3.013 3.339 1.00 0.00 C ATOM 349 CD1 LEU A 23 -0.501 1.946 2.333 1.00 0.00 C ATOM 350 CD2 LEU A 23 -0.596 2.592 4.712 1.00 0.00 C ATOM 0 H LEU A 23 1.808 5.374 2.274 1.00 0.00 H new ATOM 0 HA LEU A 23 1.596 4.442 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.794 3.125 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.867 2.189 3.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.456 4.000 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.588 1.870 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.157 2.223 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.070 0.985 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.684 2.542 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.196 1.612 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.288 3.321 5.461 1.00 0.00 H new ATOM 362 N SER A 24 4.121 3.992 5.405 1.00 0.00 N ATOM 363 CA SER A 24 5.522 3.643 5.610 1.00 0.00 C ATOM 364 C SER A 24 5.706 2.162 5.254 1.00 0.00 C ATOM 365 O SER A 24 4.719 1.452 5.090 1.00 0.00 O ATOM 366 CB SER A 24 5.874 3.871 7.084 1.00 0.00 C ATOM 367 OG SER A 24 5.057 3.046 7.897 1.00 0.00 O ATOM 0 H SER A 24 3.611 4.208 6.261 1.00 0.00 H new ATOM 0 HA SER A 24 6.171 4.256 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.926 3.644 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.727 4.919 7.346 1.00 0.00 H new ATOM 0 HG SER A 24 4.517 3.606 8.493 1.00 0.00 H new ATOM 373 N LYS A 25 6.940 1.660 5.151 1.00 0.00 N ATOM 374 CA LYS A 25 7.158 0.239 4.880 1.00 0.00 C ATOM 375 C LYS A 25 6.402 -0.608 5.920 1.00 0.00 C ATOM 376 O LYS A 25 5.753 -1.597 5.586 1.00 0.00 O ATOM 377 CB LYS A 25 8.665 -0.058 4.866 1.00 0.00 C ATOM 378 CG LYS A 25 8.959 -1.524 4.508 1.00 0.00 C ATOM 379 CD LYS A 25 10.463 -1.839 4.497 1.00 0.00 C ATOM 380 CE LYS A 25 11.168 -1.260 3.265 1.00 0.00 C ATOM 381 NZ LYS A 25 12.604 -1.589 3.258 1.00 0.00 N ATOM 0 H LYS A 25 7.793 2.210 5.250 1.00 0.00 H new ATOM 0 HA LYS A 25 6.765 -0.024 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.157 0.597 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.088 0.168 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.460 -2.176 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.538 -1.746 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.923 -1.436 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.606 -2.919 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.700 -1.650 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.042 -0.177 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.075 -1.072 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.027 -1.316 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.725 -2.612 3.113 1.00 0.00 H new ATOM 395 N GLU A 26 6.481 -0.202 7.189 1.00 0.00 N ATOM 396 CA GLU A 26 5.813 -0.870 8.294 1.00 0.00 C ATOM 397 C GLU A 26 4.294 -0.816 8.109 1.00 0.00 C ATOM 398 O GLU A 26 3.629 -1.850 8.071 1.00 0.00 O ATOM 399 CB GLU A 26 6.246 -0.212 9.614 1.00 0.00 C ATOM 400 CG GLU A 26 5.601 -0.879 10.839 1.00 0.00 C ATOM 401 CD GLU A 26 6.034 -0.240 12.158 1.00 0.00 C ATOM 402 OE1 GLU A 26 6.831 0.722 12.106 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.560 -0.739 13.201 1.00 0.00 O ATOM 0 H GLU A 26 7.021 0.614 7.476 1.00 0.00 H new ATOM 0 HA GLU A 26 6.099 -1.922 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.331 -0.264 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.978 0.844 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.516 -0.819 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.862 -1.937 10.850 1.00 0.00 H new ATOM 410 N GLU A 27 3.732 0.390 8.000 1.00 0.00 N ATOM 411 CA GLU A 27 2.291 0.554 7.869 1.00 0.00 C ATOM 412 C GLU A 27 1.767 -0.199 6.639 1.00 0.00 C ATOM 413 O GLU A 27 0.716 -0.836 6.682 1.00 0.00 O ATOM 414 CB GLU A 27 1.956 2.049 7.871 1.00 0.00 C ATOM 415 CG GLU A 27 0.484 2.319 8.194 1.00 0.00 C ATOM 416 CD GLU A 27 0.058 1.802 9.567 1.00 0.00 C ATOM 417 OE1 GLU A 27 0.715 2.199 10.552 1.00 0.00 O ATOM 418 OE2 GLU A 27 -0.910 1.013 9.606 1.00 0.00 O ATOM 0 H GLU A 27 4.257 1.265 8.000 1.00 0.00 H new ATOM 0 HA GLU A 27 1.777 0.108 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.584 2.558 8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.194 2.473 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.300 3.392 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.139 1.854 7.430 1.00 0.00 H new ATOM 425 N LEU A 28 2.528 -0.146 5.545 1.00 0.00 N ATOM 426 CA LEU A 28 2.238 -0.854 4.313 1.00 0.00 C ATOM 427 C LEU A 28 2.158 -2.341 4.643 1.00 0.00 C ATOM 428 O LEU A 28 1.157 -2.979 4.340 1.00 0.00 O ATOM 429 CB LEU A 28 3.335 -0.556 3.276 1.00 0.00 C ATOM 430 CG LEU A 28 3.197 -1.348 1.968 1.00 0.00 C ATOM 431 CD1 LEU A 28 2.020 -0.845 1.123 1.00 0.00 C ATOM 432 CD2 LEU A 28 4.505 -1.235 1.181 1.00 0.00 C ATOM 0 H LEU A 28 3.384 0.407 5.498 1.00 0.00 H new ATOM 0 HA LEU A 28 1.291 -0.531 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.322 0.509 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.307 -0.774 3.719 1.00 0.00 H new ATOM 0 HG LEU A 28 2.996 -2.391 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.955 -1.430 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.094 -0.952 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.174 0.205 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.419 -1.794 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.706 -0.187 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.323 -1.643 1.774 1.00 0.00 H new ATOM 444 N LYS A 29 3.195 -2.902 5.271 1.00 0.00 N ATOM 445 CA LYS A 29 3.223 -4.307 5.655 1.00 0.00 C ATOM 446 C LYS A 29 1.987 -4.661 6.497 1.00 0.00 C ATOM 447 O LYS A 29 1.372 -5.709 6.288 1.00 0.00 O ATOM 448 CB LYS A 29 4.562 -4.614 6.346 1.00 0.00 C ATOM 449 CG LYS A 29 4.778 -6.071 6.780 1.00 0.00 C ATOM 450 CD LYS A 29 4.520 -7.088 5.658 1.00 0.00 C ATOM 451 CE LYS A 29 4.908 -8.514 6.072 1.00 0.00 C ATOM 452 NZ LYS A 29 6.365 -8.673 6.226 1.00 0.00 N ATOM 0 H LYS A 29 4.039 -2.389 5.526 1.00 0.00 H new ATOM 0 HA LYS A 29 3.166 -4.948 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.370 -4.334 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.648 -3.977 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.801 -6.188 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.120 -6.293 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.465 -7.065 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.086 -6.801 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.416 -8.764 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.544 -9.219 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.598 -9.684 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.848 -8.270 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.679 -8.178 7.085 1.00 0.00 H new ATOM 466 N LEU A 30 1.597 -3.807 7.447 1.00 0.00 N ATOM 467 CA LEU A 30 0.399 -4.045 8.251 1.00 0.00 C ATOM 468 C LEU A 30 -0.840 -4.114 7.345 1.00 0.00 C ATOM 469 O LEU A 30 -1.612 -5.075 7.415 1.00 0.00 O ATOM 470 CB LEU A 30 0.240 -2.981 9.349 1.00 0.00 C ATOM 471 CG LEU A 30 1.357 -2.992 10.409 1.00 0.00 C ATOM 472 CD1 LEU A 30 1.159 -1.807 11.361 1.00 0.00 C ATOM 473 CD2 LEU A 30 1.370 -4.289 11.228 1.00 0.00 C ATOM 0 H LEU A 30 2.094 -2.946 7.677 1.00 0.00 H new ATOM 0 HA LEU A 30 0.506 -5.005 8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.208 -1.996 8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.718 -3.130 9.847 1.00 0.00 H new ATOM 0 HG LEU A 30 2.309 -2.918 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.947 -1.810 12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.200 -0.876 10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.189 -1.892 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.175 -4.248 11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.416 -4.404 11.742 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.528 -5.138 10.563 1.00 0.00 H new ATOM 485 N LEU A 31 -1.039 -3.109 6.484 1.00 0.00 N ATOM 486 CA LEU A 31 -2.174 -3.075 5.565 1.00 0.00 C ATOM 487 C LEU A 31 -2.184 -4.342 4.720 1.00 0.00 C ATOM 488 O LEU A 31 -3.163 -5.083 4.721 1.00 0.00 O ATOM 489 CB LEU A 31 -2.130 -1.812 4.690 1.00 0.00 C ATOM 490 CG LEU A 31 -3.387 -1.627 3.813 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.463 -0.167 3.366 1.00 0.00 C ATOM 492 CD2 LEU A 31 -3.396 -2.478 2.532 1.00 0.00 C ATOM 0 H LEU A 31 -0.419 -2.302 6.408 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.100 -3.036 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.013 -0.939 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.251 -1.855 4.047 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.229 -1.940 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.347 -0.022 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.525 0.479 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.571 0.085 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.313 -2.287 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.536 -2.216 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.345 -3.534 2.796 1.00 0.00 H new ATOM 504 N LEU A 32 -1.090 -4.585 4.001 1.00 0.00 N ATOM 505 CA LEU A 32 -0.917 -5.730 3.129 1.00 0.00 C ATOM 506 C LEU A 32 -1.294 -7.020 3.854 1.00 0.00 C ATOM 507 O LEU A 32 -2.095 -7.789 3.333 1.00 0.00 O ATOM 508 CB LEU A 32 0.522 -5.774 2.599 1.00 0.00 C ATOM 509 CG LEU A 32 0.869 -4.673 1.579 1.00 0.00 C ATOM 510 CD1 LEU A 32 2.340 -4.824 1.176 1.00 0.00 C ATOM 511 CD2 LEU A 32 0.005 -4.742 0.313 1.00 0.00 C ATOM 0 H LEU A 32 -0.278 -3.968 4.014 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.586 -5.632 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.208 -5.697 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.694 -6.746 2.136 1.00 0.00 H new ATOM 0 HG LEU A 32 0.677 -3.712 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.601 -4.051 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.971 -4.723 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.496 -5.806 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.294 -3.942 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.151 -5.706 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.045 -4.627 0.582 1.00 0.00 H new ATOM 523 N GLN A 33 -0.748 -7.265 5.048 1.00 0.00 N ATOM 524 CA GLN A 33 -1.090 -8.463 5.808 1.00 0.00 C ATOM 525 C GLN A 33 -2.590 -8.534 6.089 1.00 0.00 C ATOM 526 O GLN A 33 -3.180 -9.605 5.989 1.00 0.00 O ATOM 527 CB GLN A 33 -0.329 -8.491 7.133 1.00 0.00 C ATOM 528 CG GLN A 33 1.138 -8.875 6.930 1.00 0.00 C ATOM 529 CD GLN A 33 1.925 -8.597 8.201 1.00 0.00 C ATOM 530 OE1 GLN A 33 2.432 -9.495 8.859 1.00 0.00 O ATOM 531 NE2 GLN A 33 2.046 -7.332 8.560 1.00 0.00 N ATOM 0 H GLN A 33 -0.072 -6.652 5.504 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.806 -9.325 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.387 -7.512 7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.802 -9.202 7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.214 -9.930 6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.560 -8.309 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.615 -6.599 7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.570 -7.088 9.400 1.00 0.00 H new ATOM 540 N THR A 34 -3.206 -7.408 6.452 1.00 0.00 N ATOM 541 CA THR A 34 -4.627 -7.394 6.769 1.00 0.00 C ATOM 542 C THR A 34 -5.487 -7.689 5.533 1.00 0.00 C ATOM 543 O THR A 34 -6.369 -8.543 5.576 1.00 0.00 O ATOM 544 CB THR A 34 -5.043 -6.048 7.393 1.00 0.00 C ATOM 545 OG1 THR A 34 -4.143 -5.626 8.407 1.00 0.00 O ATOM 546 CG2 THR A 34 -6.440 -6.185 8.017 1.00 0.00 C ATOM 0 H THR A 34 -2.744 -6.502 6.532 1.00 0.00 H new ATOM 0 HA THR A 34 -4.799 -8.186 7.498 1.00 0.00 H new ATOM 0 HB THR A 34 -5.037 -5.306 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.295 -5.354 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.736 -5.234 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.157 -6.465 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.420 -6.953 8.790 1.00 0.00 H new ATOM 554 N GLU A 35 -5.259 -6.954 4.444 1.00 0.00 N ATOM 555 CA GLU A 35 -6.078 -7.021 3.243 1.00 0.00 C ATOM 556 C GLU A 35 -5.683 -8.103 2.236 1.00 0.00 C ATOM 557 O GLU A 35 -6.559 -8.781 1.704 1.00 0.00 O ATOM 558 CB GLU A 35 -6.067 -5.650 2.553 1.00 0.00 C ATOM 559 CG GLU A 35 -6.394 -4.471 3.482 1.00 0.00 C ATOM 560 CD GLU A 35 -7.696 -4.660 4.254 1.00 0.00 C ATOM 561 OE1 GLU A 35 -8.715 -4.948 3.590 1.00 0.00 O ATOM 562 OE2 GLU A 35 -7.648 -4.504 5.493 1.00 0.00 O ATOM 0 H GLU A 35 -4.489 -6.288 4.375 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.075 -7.300 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.084 -5.487 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.787 -5.663 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.576 -4.336 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.459 -3.558 2.891 1.00 0.00 H new ATOM 569 N PHE A 36 -4.390 -8.248 1.940 1.00 0.00 N ATOM 570 CA PHE A 36 -3.895 -9.154 0.904 1.00 0.00 C ATOM 571 C PHE A 36 -2.727 -10.021 1.404 1.00 0.00 C ATOM 572 O PHE A 36 -1.621 -9.926 0.864 1.00 0.00 O ATOM 573 CB PHE A 36 -3.495 -8.306 -0.317 1.00 0.00 C ATOM 574 CG PHE A 36 -4.419 -7.145 -0.645 1.00 0.00 C ATOM 575 CD1 PHE A 36 -5.757 -7.387 -1.008 1.00 0.00 C ATOM 576 CD2 PHE A 36 -3.969 -5.819 -0.489 1.00 0.00 C ATOM 577 CE1 PHE A 36 -6.651 -6.312 -1.167 1.00 0.00 C ATOM 578 CE2 PHE A 36 -4.860 -4.745 -0.657 1.00 0.00 C ATOM 579 CZ PHE A 36 -6.205 -4.992 -0.982 1.00 0.00 C ATOM 0 H PHE A 36 -3.650 -7.734 2.418 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.682 -9.855 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.492 -7.912 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.440 -8.959 -1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.098 -8.400 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.936 -5.627 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.681 -6.501 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.511 -3.730 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.895 -4.168 -1.089 1.00 0.00 H new ATOM 589 N PRO A 37 -2.956 -10.876 2.417 1.00 0.00 N ATOM 590 CA PRO A 37 -1.930 -11.728 3.012 1.00 0.00 C ATOM 591 C PRO A 37 -1.187 -12.587 1.986 1.00 0.00 C ATOM 592 O PRO A 37 0.009 -12.827 2.128 1.00 0.00 O ATOM 593 CB PRO A 37 -2.639 -12.567 4.082 1.00 0.00 C ATOM 594 CG PRO A 37 -4.120 -12.477 3.715 1.00 0.00 C ATOM 595 CD PRO A 37 -4.233 -11.095 3.076 1.00 0.00 C ATOM 0 HA PRO A 37 -1.141 -11.119 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.289 -13.599 4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.453 -12.175 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.413 -13.267 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.760 -12.569 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.056 -11.057 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.426 -10.328 3.827 1.00 0.00 H new ATOM 603 N SER A 38 -1.884 -13.056 0.953 1.00 0.00 N ATOM 604 CA SER A 38 -1.322 -13.875 -0.103 1.00 0.00 C ATOM 605 C SER A 38 -0.568 -12.998 -1.107 1.00 0.00 C ATOM 606 O SER A 38 0.651 -13.083 -1.249 1.00 0.00 O ATOM 607 CB SER A 38 -2.502 -14.584 -0.776 1.00 0.00 C ATOM 608 OG SER A 38 -3.555 -13.646 -0.962 1.00 0.00 O ATOM 0 H SER A 38 -2.879 -12.869 0.830 1.00 0.00 H new ATOM 0 HA SER A 38 -0.608 -14.599 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.194 -15.001 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.843 -15.417 -0.161 1.00 0.00 H new ATOM 0 HG SER A 38 -4.315 -14.089 -1.394 1.00 0.00 H new ATOM 614 N LEU A 39 -1.331 -12.165 -1.817 1.00 0.00 N ATOM 615 CA LEU A 39 -0.847 -11.277 -2.869 1.00 0.00 C ATOM 616 C LEU A 39 0.398 -10.485 -2.465 1.00 0.00 C ATOM 617 O LEU A 39 1.265 -10.273 -3.308 1.00 0.00 O ATOM 618 CB LEU A 39 -1.940 -10.330 -3.382 1.00 0.00 C ATOM 619 CG LEU A 39 -3.316 -10.978 -3.626 1.00 0.00 C ATOM 620 CD1 LEU A 39 -4.276 -9.933 -4.204 1.00 0.00 C ATOM 621 CD2 LEU A 39 -3.225 -12.166 -4.591 1.00 0.00 C ATOM 0 H LEU A 39 -2.337 -12.089 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.558 -11.938 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.061 -9.520 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.599 -9.880 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.684 -11.348 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.250 -10.390 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.382 -9.108 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.879 -9.556 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.217 -12.594 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.833 -11.827 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.560 -12.923 -4.175 1.00 0.00 H new ATOM 633 N LEU A 40 0.506 -10.043 -1.205 1.00 0.00 N ATOM 634 CA LEU A 40 1.687 -9.297 -0.773 1.00 0.00 C ATOM 635 C LEU A 40 2.980 -10.066 -1.033 1.00 0.00 C ATOM 636 O LEU A 40 4.017 -9.455 -1.272 1.00 0.00 O ATOM 637 CB LEU A 40 1.566 -8.845 0.689 1.00 0.00 C ATOM 638 CG LEU A 40 1.816 -9.916 1.769 1.00 0.00 C ATOM 639 CD1 LEU A 40 3.298 -10.061 2.155 1.00 0.00 C ATOM 640 CD2 LEU A 40 1.080 -9.516 3.050 1.00 0.00 C ATOM 0 H LEU A 40 -0.198 -10.187 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 40 1.737 -8.395 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.269 -8.028 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.565 -8.439 0.838 1.00 0.00 H new ATOM 0 HG LEU A 40 1.466 -10.858 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.401 -10.831 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.877 -10.342 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.667 -9.112 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.252 -10.269 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.451 -8.552 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.012 -9.442 2.848 1.00 0.00 H new ATOM 652 N LYS A 41 2.925 -11.400 -0.983 1.00 0.00 N ATOM 653 CA LYS A 41 4.087 -12.233 -1.222 1.00 0.00 C ATOM 654 C LYS A 41 4.315 -12.270 -2.732 1.00 0.00 C ATOM 655 O LYS A 41 5.344 -11.808 -3.221 1.00 0.00 O ATOM 656 CB LYS A 41 3.878 -13.636 -0.629 1.00 0.00 C ATOM 657 CG LYS A 41 3.441 -13.579 0.841 1.00 0.00 C ATOM 658 CD LYS A 41 3.417 -14.989 1.444 1.00 0.00 C ATOM 659 CE LYS A 41 2.710 -15.015 2.807 1.00 0.00 C ATOM 660 NZ LYS A 41 3.301 -14.065 3.770 1.00 0.00 N ATOM 0 H LYS A 41 2.074 -11.922 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 41 4.971 -11.827 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.125 -14.167 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.804 -14.206 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.125 -12.946 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.452 -13.127 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.910 -15.669 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.438 -15.353 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.655 -14.779 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.760 -16.023 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.856 -14.193 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.323 -14.240 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.140 -13.092 3.441 1.00 0.00 H new ATOM 674 N GLY A 42 3.332 -12.819 -3.457 1.00 0.00 N ATOM 675 CA GLY A 42 3.320 -12.972 -4.908 1.00 0.00 C ATOM 676 C GLY A 42 4.497 -13.813 -5.404 1.00 0.00 C ATOM 677 O GLY A 42 4.341 -14.969 -5.783 1.00 0.00 O ATOM 0 H GLY A 42 2.485 -13.185 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.385 -13.440 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.354 -11.989 -5.377 1.00 0.00 H new ATOM 681 N GLY A 43 5.680 -13.210 -5.382 1.00 0.00 N ATOM 682 CA GLY A 43 6.958 -13.772 -5.769 1.00 0.00 C ATOM 683 C GLY A 43 8.043 -12.716 -5.561 1.00 0.00 C ATOM 684 O GLY A 43 8.944 -12.583 -6.386 1.00 0.00 O ATOM 0 H GLY A 43 5.772 -12.244 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.176 -14.659 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.932 -14.086 -6.812 1.00 0.00 H new ATOM 688 N SER A 44 7.965 -11.938 -4.475 1.00 0.00 N ATOM 689 CA SER A 44 8.925 -10.885 -4.173 1.00 0.00 C ATOM 690 C SER A 44 8.932 -10.603 -2.670 1.00 0.00 C ATOM 691 O SER A 44 8.000 -10.980 -1.964 1.00 0.00 O ATOM 692 CB SER A 44 8.561 -9.615 -4.954 1.00 0.00 C ATOM 693 OG SER A 44 8.496 -9.867 -6.345 1.00 0.00 O ATOM 0 H SER A 44 7.225 -12.027 -3.779 1.00 0.00 H new ATOM 0 HA SER A 44 9.922 -11.208 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.601 -9.234 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.301 -8.840 -4.757 1.00 0.00 H new ATOM 0 HG SER A 44 8.261 -9.041 -6.816 1.00 0.00 H new ATOM 699 N THR A 45 9.980 -9.946 -2.173 1.00 0.00 N ATOM 700 CA THR A 45 10.102 -9.600 -0.766 1.00 0.00 C ATOM 701 C THR A 45 9.368 -8.291 -0.476 1.00 0.00 C ATOM 702 O THR A 45 9.045 -7.528 -1.389 1.00 0.00 O ATOM 703 CB THR A 45 11.587 -9.457 -0.396 1.00 0.00 C ATOM 704 OG1 THR A 45 12.159 -8.356 -1.078 1.00 0.00 O ATOM 705 CG2 THR A 45 12.377 -10.731 -0.717 1.00 0.00 C ATOM 0 H THR A 45 10.769 -9.640 -2.742 1.00 0.00 H new ATOM 0 HA THR A 45 9.654 -10.393 -0.167 1.00 0.00 H new ATOM 0 HB THR A 45 11.641 -9.288 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.104 -8.275 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.422 -10.590 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.963 -11.568 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.309 -10.942 -1.784 1.00 0.00 H new ATOM 713 N LEU A 46 9.133 -8.011 0.811 1.00 0.00 N ATOM 714 CA LEU A 46 8.525 -6.761 1.246 1.00 0.00 C ATOM 715 C LEU A 46 9.374 -5.605 0.720 1.00 0.00 C ATOM 716 O LEU A 46 8.843 -4.615 0.235 1.00 0.00 O ATOM 717 CB LEU A 46 8.448 -6.725 2.780 1.00 0.00 C ATOM 718 CG LEU A 46 8.063 -5.348 3.356 1.00 0.00 C ATOM 719 CD1 LEU A 46 6.695 -4.867 2.853 1.00 0.00 C ATOM 720 CD2 LEU A 46 8.063 -5.434 4.885 1.00 0.00 C ATOM 0 H LEU A 46 9.361 -8.648 1.575 1.00 0.00 H new ATOM 0 HA LEU A 46 7.511 -6.675 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.720 -7.464 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.414 -7.021 3.189 1.00 0.00 H new ATOM 0 HG LEU A 46 8.798 -4.619 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.470 -3.893 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.716 -4.784 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.927 -5.582 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.792 -4.465 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.340 -6.184 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.057 -5.715 5.234 1.00 0.00 H new ATOM 732 N ASP A 47 10.699 -5.734 0.818 1.00 0.00 N ATOM 733 CA ASP A 47 11.633 -4.722 0.350 1.00 0.00 C ATOM 734 C ASP A 47 11.429 -4.484 -1.144 1.00 0.00 C ATOM 735 O ASP A 47 11.194 -3.352 -1.555 1.00 0.00 O ATOM 736 CB ASP A 47 13.073 -5.133 0.672 1.00 0.00 C ATOM 737 CG ASP A 47 13.258 -5.329 2.171 1.00 0.00 C ATOM 738 OD1 ASP A 47 13.567 -4.324 2.847 1.00 0.00 O ATOM 739 OD2 ASP A 47 13.042 -6.478 2.615 1.00 0.00 O ATOM 0 H ASP A 47 11.151 -6.551 1.228 1.00 0.00 H new ATOM 0 HA ASP A 47 11.442 -3.783 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.318 -6.056 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.763 -4.369 0.313 1.00 0.00 H new ATOM 744 N GLU A 48 11.499 -5.543 -1.956 1.00 0.00 N ATOM 745 CA GLU A 48 11.309 -5.429 -3.398 1.00 0.00 C ATOM 746 C GLU A 48 9.970 -4.759 -3.714 1.00 0.00 C ATOM 747 O GLU A 48 9.922 -3.805 -4.486 1.00 0.00 O ATOM 748 CB GLU A 48 11.384 -6.816 -4.041 1.00 0.00 C ATOM 749 CG GLU A 48 12.824 -7.347 -4.070 1.00 0.00 C ATOM 750 CD GLU A 48 12.884 -8.805 -4.518 1.00 0.00 C ATOM 751 OE1 GLU A 48 11.988 -9.569 -4.096 1.00 0.00 O ATOM 752 OE2 GLU A 48 13.828 -9.131 -5.267 1.00 0.00 O ATOM 0 H GLU A 48 11.687 -6.492 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 48 12.102 -4.806 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.751 -7.509 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.992 -6.769 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.423 -6.735 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.265 -7.254 -3.078 1.00 0.00 H new ATOM 759 N LEU A 49 8.880 -5.254 -3.121 1.00 0.00 N ATOM 760 CA LEU A 49 7.551 -4.698 -3.342 1.00 0.00 C ATOM 761 C LEU A 49 7.541 -3.213 -2.968 1.00 0.00 C ATOM 762 O LEU A 49 7.132 -2.367 -3.757 1.00 0.00 O ATOM 763 CB LEU A 49 6.518 -5.509 -2.545 1.00 0.00 C ATOM 764 CG LEU A 49 5.077 -4.988 -2.687 1.00 0.00 C ATOM 765 CD1 LEU A 49 4.603 -4.980 -4.146 1.00 0.00 C ATOM 766 CD2 LEU A 49 4.145 -5.878 -1.860 1.00 0.00 C ATOM 0 H LEU A 49 8.898 -6.046 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 49 7.283 -4.767 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.553 -6.548 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.796 -5.499 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 49 5.056 -3.959 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.581 -4.604 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.255 -4.336 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.636 -5.994 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.120 -5.518 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.204 -6.904 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.447 -5.847 -0.813 1.00 0.00 H new ATOM 778 N PHE A 50 8.006 -2.892 -1.763 1.00 0.00 N ATOM 779 CA PHE A 50 8.086 -1.529 -1.261 1.00 0.00 C ATOM 780 C PHE A 50 8.825 -0.642 -2.267 1.00 0.00 C ATOM 781 O PHE A 50 8.316 0.407 -2.641 1.00 0.00 O ATOM 782 CB PHE A 50 8.766 -1.522 0.112 1.00 0.00 C ATOM 783 CG PHE A 50 9.144 -0.136 0.590 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.164 0.717 1.130 1.00 0.00 C ATOM 785 CD2 PHE A 50 10.432 0.361 0.318 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.468 2.067 1.377 1.00 0.00 C ATOM 787 CE2 PHE A 50 10.728 1.715 0.541 1.00 0.00 C ATOM 788 CZ PHE A 50 9.742 2.568 1.059 1.00 0.00 C ATOM 0 H PHE A 50 8.343 -3.588 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 50 7.082 -1.122 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.099 -1.980 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.663 -2.140 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.179 0.335 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.195 -0.301 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.724 2.718 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.712 2.099 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.963 3.614 1.214 1.00 0.00 H new ATOM 798 N GLU A 51 10.012 -1.062 -2.708 1.00 0.00 N ATOM 799 CA GLU A 51 10.813 -0.325 -3.677 1.00 0.00 C ATOM 800 C GLU A 51 10.020 -0.125 -4.972 1.00 0.00 C ATOM 801 O GLU A 51 9.955 0.982 -5.499 1.00 0.00 O ATOM 802 CB GLU A 51 12.122 -1.081 -3.947 1.00 0.00 C ATOM 803 CG GLU A 51 13.068 -1.041 -2.738 1.00 0.00 C ATOM 804 CD GLU A 51 14.196 -2.059 -2.882 1.00 0.00 C ATOM 805 OE1 GLU A 51 14.983 -1.898 -3.840 1.00 0.00 O ATOM 806 OE2 GLU A 51 14.248 -2.981 -2.041 1.00 0.00 O ATOM 0 H GLU A 51 10.445 -1.932 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 51 11.056 0.658 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.897 -2.118 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.621 -0.645 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.489 -0.041 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.506 -1.245 -1.827 1.00 0.00 H new ATOM 813 N GLU A 52 9.416 -1.202 -5.483 1.00 0.00 N ATOM 814 CA GLU A 52 8.617 -1.173 -6.699 1.00 0.00 C ATOM 815 C GLU A 52 7.504 -0.127 -6.579 1.00 0.00 C ATOM 816 O GLU A 52 7.270 0.636 -7.512 1.00 0.00 O ATOM 817 CB GLU A 52 8.045 -2.572 -6.972 1.00 0.00 C ATOM 818 CG GLU A 52 7.293 -2.644 -8.308 1.00 0.00 C ATOM 819 CD GLU A 52 6.616 -3.997 -8.492 1.00 0.00 C ATOM 820 OE1 GLU A 52 5.747 -4.316 -7.652 1.00 0.00 O ATOM 821 OE2 GLU A 52 6.964 -4.685 -9.476 1.00 0.00 O ATOM 0 H GLU A 52 9.472 -2.126 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 52 9.247 -0.889 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.857 -3.300 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.370 -2.850 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.545 -1.852 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.988 -2.469 -9.129 1.00 0.00 H new ATOM 828 N LEU A 53 6.811 -0.098 -5.441 1.00 0.00 N ATOM 829 CA LEU A 53 5.733 0.848 -5.205 1.00 0.00 C ATOM 830 C LEU A 53 6.284 2.265 -5.032 1.00 0.00 C ATOM 831 O LEU A 53 5.926 3.162 -5.789 1.00 0.00 O ATOM 832 CB LEU A 53 4.898 0.410 -3.995 1.00 0.00 C ATOM 833 CG LEU A 53 4.176 -0.935 -4.191 1.00 0.00 C ATOM 834 CD1 LEU A 53 3.475 -1.317 -2.885 1.00 0.00 C ATOM 835 CD2 LEU A 53 3.161 -0.889 -5.336 1.00 0.00 C ATOM 0 H LEU A 53 6.985 -0.731 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 53 5.077 0.860 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.549 0.339 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.158 1.180 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 53 4.922 -1.684 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.960 -2.269 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.214 -1.408 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.751 -0.546 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.679 -1.862 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.408 -0.130 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.673 -0.643 -6.266 1.00 0.00 H new ATOM 847 N ASP A 54 7.154 2.490 -4.045 1.00 0.00 N ATOM 848 CA ASP A 54 7.745 3.795 -3.768 1.00 0.00 C ATOM 849 C ASP A 54 8.853 4.098 -4.779 1.00 0.00 C ATOM 850 O ASP A 54 10.012 4.268 -4.408 1.00 0.00 O ATOM 851 CB ASP A 54 8.250 3.869 -2.314 1.00 0.00 C ATOM 852 CG ASP A 54 8.822 5.242 -1.937 1.00 0.00 C ATOM 853 OD1 ASP A 54 8.558 6.219 -2.673 1.00 0.00 O ATOM 854 OD2 ASP A 54 9.530 5.302 -0.908 1.00 0.00 O ATOM 0 H ASP A 54 7.470 1.758 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 54 6.979 4.563 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.429 3.628 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.018 3.110 -2.165 1.00 0.00 H new ATOM 859 N LYS A 55 8.491 4.195 -6.060 1.00 0.00 N ATOM 860 CA LYS A 55 9.403 4.528 -7.150 1.00 0.00 C ATOM 861 C LYS A 55 10.117 5.845 -6.829 1.00 0.00 C ATOM 862 O LYS A 55 11.299 6.015 -7.109 1.00 0.00 O ATOM 863 CB LYS A 55 8.620 4.662 -8.464 1.00 0.00 C ATOM 864 CG LYS A 55 7.892 3.366 -8.846 1.00 0.00 C ATOM 865 CD LYS A 55 7.036 3.517 -10.110 1.00 0.00 C ATOM 866 CE LYS A 55 7.879 3.791 -11.363 1.00 0.00 C ATOM 867 NZ LYS A 55 7.053 3.782 -12.587 1.00 0.00 N ATOM 0 H LYS A 55 7.533 4.040 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 55 10.142 3.734 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.894 5.469 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.305 4.941 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.625 2.575 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.257 3.053 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.453 2.609 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.326 4.332 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.374 4.757 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.663 3.038 -11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.655 3.971 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.600 2.852 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.321 4.517 -12.517 1.00 0.00 H new ATOM 881 N ASN A 56 9.374 6.775 -6.227 1.00 0.00 N ATOM 882 CA ASN A 56 9.841 8.086 -5.801 1.00 0.00 C ATOM 883 C ASN A 56 10.953 7.987 -4.746 1.00 0.00 C ATOM 884 O ASN A 56 11.713 8.931 -4.559 1.00 0.00 O ATOM 885 CB ASN A 56 8.633 8.862 -5.265 1.00 0.00 C ATOM 886 CG ASN A 56 8.964 10.311 -4.932 1.00 0.00 C ATOM 887 OD1 ASN A 56 9.578 11.024 -5.712 1.00 0.00 O ATOM 888 ND2 ASN A 56 8.547 10.788 -3.770 1.00 0.00 N ATOM 0 H ASN A 56 8.388 6.624 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 56 10.281 8.610 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.833 8.837 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.255 8.366 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.737 11.758 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.035 10.185 -3.125 1.00 0.00 H new ATOM 895 N GLY A 57 11.059 6.851 -4.051 1.00 0.00 N ATOM 896 CA GLY A 57 12.069 6.590 -3.036 1.00 0.00 C ATOM 897 C GLY A 57 12.040 7.587 -1.879 1.00 0.00 C ATOM 898 O GLY A 57 13.082 7.886 -1.303 1.00 0.00 O ATOM 0 H GLY A 57 10.422 6.067 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.926 5.584 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.055 6.613 -3.501 1.00 0.00 H new ATOM 902 N ASP A 58 10.860 8.100 -1.517 1.00 0.00 N ATOM 903 CA ASP A 58 10.746 9.060 -0.420 1.00 0.00 C ATOM 904 C ASP A 58 10.806 8.390 0.953 1.00 0.00 C ATOM 905 O ASP A 58 11.168 9.045 1.925 1.00 0.00 O ATOM 906 CB ASP A 58 9.497 9.939 -0.557 1.00 0.00 C ATOM 907 CG ASP A 58 8.197 9.146 -0.612 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.826 8.587 0.442 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.598 9.127 -1.711 1.00 0.00 O ATOM 0 H ASP A 58 9.975 7.866 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 58 11.617 9.711 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.456 10.631 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.584 10.541 -1.461 1.00 0.00 H new ATOM 914 N GLY A 59 10.451 7.105 1.043 1.00 0.00 N ATOM 915 CA GLY A 59 10.446 6.355 2.293 1.00 0.00 C ATOM 916 C GLY A 59 9.078 5.730 2.571 1.00 0.00 C ATOM 917 O GLY A 59 8.978 4.822 3.393 1.00 0.00 O ATOM 0 H GLY A 59 10.156 6.554 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.202 5.571 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.718 7.016 3.116 1.00 0.00 H new ATOM 921 N GLU A 60 8.026 6.197 1.894 1.00 0.00 N ATOM 922 CA GLU A 60 6.672 5.699 2.049 1.00 0.00 C ATOM 923 C GLU A 60 6.017 5.517 0.681 1.00 0.00 C ATOM 924 O GLU A 60 6.441 6.107 -0.308 1.00 0.00 O ATOM 925 CB GLU A 60 5.835 6.716 2.830 1.00 0.00 C ATOM 926 CG GLU A 60 6.471 7.237 4.127 1.00 0.00 C ATOM 927 CD GLU A 60 7.234 8.537 3.892 1.00 0.00 C ATOM 928 OE1 GLU A 60 6.550 9.544 3.595 1.00 0.00 O ATOM 929 OE2 GLU A 60 8.477 8.504 4.020 1.00 0.00 O ATOM 0 H GLU A 60 8.102 6.949 1.209 1.00 0.00 H new ATOM 0 HA GLU A 60 6.717 4.746 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.628 7.566 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.875 6.260 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.695 7.400 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.148 6.484 4.530 1.00 0.00 H new ATOM 936 N VAL A 61 4.950 4.724 0.638 1.00 0.00 N ATOM 937 CA VAL A 61 4.145 4.512 -0.547 1.00 0.00 C ATOM 938 C VAL A 61 3.003 5.521 -0.430 1.00 0.00 C ATOM 939 O VAL A 61 2.117 5.361 0.411 1.00 0.00 O ATOM 940 CB VAL A 61 3.653 3.056 -0.608 1.00 0.00 C ATOM 941 CG1 VAL A 61 2.672 2.849 -1.770 1.00 0.00 C ATOM 942 CG2 VAL A 61 4.846 2.112 -0.799 1.00 0.00 C ATOM 0 H VAL A 61 4.619 4.201 1.449 1.00 0.00 H new ATOM 0 HA VAL A 61 4.699 4.664 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 61 3.142 2.838 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.342 1.810 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.809 3.502 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.167 3.088 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.492 1.082 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.359 2.358 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.536 2.224 0.037 1.00 0.00 H new ATOM 952 N SER A 62 3.029 6.570 -1.254 1.00 0.00 N ATOM 953 CA SER A 62 1.988 7.585 -1.250 1.00 0.00 C ATOM 954 C SER A 62 0.697 6.987 -1.806 1.00 0.00 C ATOM 955 O SER A 62 0.740 5.946 -2.456 1.00 0.00 O ATOM 956 CB SER A 62 2.435 8.784 -2.089 1.00 0.00 C ATOM 957 OG SER A 62 2.592 8.402 -3.444 1.00 0.00 O ATOM 0 H SER A 62 3.769 6.734 -1.936 1.00 0.00 H new ATOM 0 HA SER A 62 1.806 7.926 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.700 9.585 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.376 9.177 -1.703 1.00 0.00 H new ATOM 0 HG SER A 62 2.876 9.177 -3.972 1.00 0.00 H new ATOM 963 N PHE A 63 -0.455 7.627 -1.585 1.00 0.00 N ATOM 964 CA PHE A 63 -1.698 7.132 -2.177 1.00 0.00 C ATOM 965 C PHE A 63 -1.540 7.019 -3.701 1.00 0.00 C ATOM 966 O PHE A 63 -2.056 6.095 -4.325 1.00 0.00 O ATOM 967 CB PHE A 63 -2.896 8.008 -1.790 1.00 0.00 C ATOM 968 CG PHE A 63 -4.216 7.471 -2.318 1.00 0.00 C ATOM 969 CD1 PHE A 63 -4.650 6.185 -1.942 1.00 0.00 C ATOM 970 CD2 PHE A 63 -4.948 8.196 -3.279 1.00 0.00 C ATOM 971 CE1 PHE A 63 -5.793 5.620 -2.532 1.00 0.00 C ATOM 972 CE2 PHE A 63 -6.107 7.640 -3.850 1.00 0.00 C ATOM 973 CZ PHE A 63 -6.529 6.352 -3.479 1.00 0.00 C ATOM 0 H PHE A 63 -0.552 8.468 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.902 6.138 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.949 8.084 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.741 9.017 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.101 5.630 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.619 9.180 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.106 4.623 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.674 8.204 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.417 5.926 -3.921 1.00 0.00 H new ATOM 983 N GLU A 64 -0.796 7.953 -4.303 1.00 0.00 N ATOM 984 CA GLU A 64 -0.503 7.939 -5.726 1.00 0.00 C ATOM 985 C GLU A 64 0.275 6.660 -6.058 1.00 0.00 C ATOM 986 O GLU A 64 -0.160 5.861 -6.883 1.00 0.00 O ATOM 987 CB GLU A 64 0.276 9.209 -6.096 1.00 0.00 C ATOM 988 CG GLU A 64 0.570 9.292 -7.600 1.00 0.00 C ATOM 989 CD GLU A 64 1.343 10.562 -7.938 1.00 0.00 C ATOM 990 OE1 GLU A 64 2.484 10.675 -7.442 1.00 0.00 O ATOM 991 OE2 GLU A 64 0.775 11.398 -8.673 1.00 0.00 O ATOM 0 H GLU A 64 -0.381 8.742 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.420 7.936 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.295 10.085 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.215 9.232 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.145 8.419 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.366 9.272 -8.158 1.00 0.00 H new ATOM 998 N GLU A 65 1.422 6.447 -5.407 1.00 0.00 N ATOM 999 CA GLU A 65 2.240 5.260 -5.644 1.00 0.00 C ATOM 1000 C GLU A 65 1.419 3.983 -5.419 1.00 0.00 C ATOM 1001 O GLU A 65 1.544 3.010 -6.159 1.00 0.00 O ATOM 1002 CB GLU A 65 3.471 5.302 -4.730 1.00 0.00 C ATOM 1003 CG GLU A 65 4.431 6.461 -5.055 1.00 0.00 C ATOM 1004 CD GLU A 65 5.405 6.159 -6.192 1.00 0.00 C ATOM 1005 OE1 GLU A 65 4.932 5.786 -7.285 1.00 0.00 O ATOM 1006 OE2 GLU A 65 6.618 6.343 -5.949 1.00 0.00 O ATOM 0 H GLU A 65 1.804 7.086 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 65 2.575 5.251 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.143 5.390 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.010 4.358 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.845 7.342 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.000 6.710 -4.159 1.00 0.00 H new ATOM 1013 N PHE A 66 0.558 3.990 -4.399 1.00 0.00 N ATOM 1014 CA PHE A 66 -0.314 2.876 -4.051 1.00 0.00 C ATOM 1015 C PHE A 66 -1.164 2.430 -5.241 1.00 0.00 C ATOM 1016 O PHE A 66 -1.546 1.265 -5.308 1.00 0.00 O ATOM 1017 CB PHE A 66 -1.191 3.244 -2.852 1.00 0.00 C ATOM 1018 CG PHE A 66 -1.891 2.071 -2.194 1.00 0.00 C ATOM 1019 CD1 PHE A 66 -1.154 1.167 -1.405 1.00 0.00 C ATOM 1020 CD2 PHE A 66 -3.289 1.936 -2.288 1.00 0.00 C ATOM 1021 CE1 PHE A 66 -1.814 0.154 -0.689 1.00 0.00 C ATOM 1022 CE2 PHE A 66 -3.950 0.924 -1.570 1.00 0.00 C ATOM 1023 CZ PHE A 66 -3.214 0.040 -0.763 1.00 0.00 C ATOM 0 H PHE A 66 0.448 4.793 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 66 0.315 2.030 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.572 3.745 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.943 3.963 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.079 1.252 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.855 2.611 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.247 -0.536 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.023 0.826 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.724 -0.727 -0.199 1.00 0.00 H new ATOM 1033 N GLN A 67 -1.455 3.314 -6.203 1.00 0.00 N ATOM 1034 CA GLN A 67 -2.223 2.904 -7.371 1.00 0.00 C ATOM 1035 C GLN A 67 -1.516 1.746 -8.091 1.00 0.00 C ATOM 1036 O GLN A 67 -2.175 0.911 -8.704 1.00 0.00 O ATOM 1037 CB GLN A 67 -2.519 4.085 -8.305 1.00 0.00 C ATOM 1038 CG GLN A 67 -3.267 5.241 -7.619 1.00 0.00 C ATOM 1039 CD GLN A 67 -4.446 4.781 -6.767 1.00 0.00 C ATOM 1040 OE1 GLN A 67 -5.437 4.274 -7.273 1.00 0.00 O ATOM 1041 NE2 GLN A 67 -4.367 4.944 -5.456 1.00 0.00 N ATOM 0 H GLN A 67 -1.175 4.295 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.194 2.541 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.580 4.461 -8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.111 3.730 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.568 5.793 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.627 5.933 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.536 5.368 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.137 4.646 -4.858 1.00 0.00 H new ATOM 1050 N VAL A 68 -0.184 1.658 -8.000 1.00 0.00 N ATOM 1051 CA VAL A 68 0.559 0.551 -8.586 1.00 0.00 C ATOM 1052 C VAL A 68 0.147 -0.738 -7.860 1.00 0.00 C ATOM 1053 O VAL A 68 -0.089 -1.761 -8.497 1.00 0.00 O ATOM 1054 CB VAL A 68 2.075 0.812 -8.509 1.00 0.00 C ATOM 1055 CG1 VAL A 68 2.870 -0.353 -9.116 1.00 0.00 C ATOM 1056 CG2 VAL A 68 2.451 2.099 -9.260 1.00 0.00 C ATOM 0 H VAL A 68 0.398 2.346 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 68 0.323 0.448 -9.645 1.00 0.00 H new ATOM 0 HB VAL A 68 2.326 0.915 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.937 -0.140 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.647 -1.269 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.591 -0.477 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.527 2.260 -9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.165 2.005 -10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.928 2.946 -8.816 1.00 0.00 H new ATOM 1066 N LEU A 69 0.031 -0.692 -6.527 1.00 0.00 N ATOM 1067 CA LEU A 69 -0.385 -1.837 -5.725 1.00 0.00 C ATOM 1068 C LEU A 69 -1.791 -2.227 -6.166 1.00 0.00 C ATOM 1069 O LEU A 69 -2.043 -3.392 -6.468 1.00 0.00 O ATOM 1070 CB LEU A 69 -0.304 -1.508 -4.221 1.00 0.00 C ATOM 1071 CG LEU A 69 -0.593 -2.663 -3.242 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -2.091 -2.920 -3.031 1.00 0.00 C ATOM 1073 CD2 LEU A 69 0.125 -3.964 -3.623 1.00 0.00 C ATOM 0 H LEU A 69 0.225 0.145 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 69 0.282 -2.685 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.695 -1.125 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.006 -0.701 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.184 -2.323 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.224 -3.745 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.561 -2.023 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.554 -3.175 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.118 -4.740 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.199 -4.281 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.202 -3.797 -3.629 1.00 0.00 H new ATOM 1085 N VAL A 70 -2.698 -1.245 -6.221 1.00 0.00 N ATOM 1086 CA VAL A 70 -4.073 -1.458 -6.661 1.00 0.00 C ATOM 1087 C VAL A 70 -4.063 -2.179 -8.014 1.00 0.00 C ATOM 1088 O VAL A 70 -4.730 -3.199 -8.187 1.00 0.00 O ATOM 1089 CB VAL A 70 -4.857 -0.134 -6.707 1.00 0.00 C ATOM 1090 CG1 VAL A 70 -6.280 -0.362 -7.234 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -4.942 0.493 -5.308 1.00 0.00 C ATOM 0 H VAL A 70 -2.494 -0.280 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.592 -2.090 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.325 0.540 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.816 0.587 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.233 -0.778 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.804 -1.058 -6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.500 1.428 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.450 -0.194 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.937 0.691 -4.936 1.00 0.00 H new ATOM 1101 N LYS A 71 -3.297 -1.659 -8.975 1.00 0.00 N ATOM 1102 CA LYS A 71 -3.178 -2.254 -10.295 1.00 0.00 C ATOM 1103 C LYS A 71 -2.703 -3.705 -10.181 1.00 0.00 C ATOM 1104 O LYS A 71 -3.311 -4.590 -10.780 1.00 0.00 O ATOM 1105 CB LYS A 71 -2.253 -1.405 -11.179 1.00 0.00 C ATOM 1106 CG LYS A 71 -2.300 -1.868 -12.642 1.00 0.00 C ATOM 1107 CD LYS A 71 -1.388 -0.986 -13.505 1.00 0.00 C ATOM 1108 CE LYS A 71 -1.517 -1.327 -14.995 1.00 0.00 C ATOM 1109 NZ LYS A 71 -1.133 -2.720 -15.284 1.00 0.00 N ATOM 0 H LYS A 71 -2.743 -0.811 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.157 -2.271 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.548 -0.358 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.230 -1.470 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.984 -2.909 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.323 -1.820 -13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.641 0.063 -13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.352 -1.115 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.546 -1.162 -15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.889 -0.651 -15.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.138 -2.875 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.179 -2.902 -14.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.810 -3.368 -14.833 1.00 0.00 H new ATOM 1123 N LYS A 72 -1.635 -3.965 -9.424 1.00 0.00 N ATOM 1124 CA LYS A 72 -1.117 -5.317 -9.253 1.00 0.00 C ATOM 1125 C LYS A 72 -2.197 -6.257 -8.714 1.00 0.00 C ATOM 1126 O LYS A 72 -2.458 -7.290 -9.330 1.00 0.00 O ATOM 1127 CB LYS A 72 0.131 -5.330 -8.356 1.00 0.00 C ATOM 1128 CG LYS A 72 1.388 -4.749 -9.020 1.00 0.00 C ATOM 1129 CD LYS A 72 1.825 -5.560 -10.250 1.00 0.00 C ATOM 1130 CE LYS A 72 3.270 -5.249 -10.658 1.00 0.00 C ATOM 1131 NZ LYS A 72 4.242 -5.826 -9.713 1.00 0.00 N ATOM 0 H LYS A 72 -1.112 -3.250 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.818 -5.682 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.081 -4.765 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.336 -6.356 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.196 -3.718 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.202 -4.726 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.730 -6.624 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.158 -5.342 -11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.458 -5.641 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.409 -4.169 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.186 -5.835 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.266 -5.252 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.960 -6.799 -9.476 1.00 0.00 H new ATOM 1145 N ILE A 73 -2.832 -5.925 -7.585 1.00 0.00 N ATOM 1146 CA ILE A 73 -3.863 -6.799 -7.025 1.00 0.00 C ATOM 1147 C ILE A 73 -5.025 -6.975 -8.005 1.00 0.00 C ATOM 1148 O ILE A 73 -5.552 -8.076 -8.132 1.00 0.00 O ATOM 1149 CB ILE A 73 -4.313 -6.385 -5.611 1.00 0.00 C ATOM 1150 CG1 ILE A 73 -5.011 -5.017 -5.592 1.00 0.00 C ATOM 1151 CG2 ILE A 73 -3.114 -6.423 -4.651 1.00 0.00 C ATOM 1152 CD1 ILE A 73 -5.584 -4.648 -4.224 1.00 0.00 C ATOM 0 H ILE A 73 -2.654 -5.074 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.410 -7.781 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.058 -7.105 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.300 -4.250 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.816 -5.018 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.438 -6.129 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.706 -7.433 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.346 -5.733 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.063 -3.670 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.319 -5.395 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.779 -4.615 -3.489 1.00 0.00 H new ATOM 1164 N SER A 74 -5.422 -5.910 -8.714 1.00 0.00 N ATOM 1165 CA SER A 74 -6.489 -6.002 -9.704 1.00 0.00 C ATOM 1166 C SER A 74 -6.088 -7.009 -10.786 1.00 0.00 C ATOM 1167 O SER A 74 -6.887 -7.846 -11.194 1.00 0.00 O ATOM 1168 CB SER A 74 -6.793 -4.626 -10.303 1.00 0.00 C ATOM 1169 OG SER A 74 -7.183 -3.724 -9.287 1.00 0.00 O ATOM 0 H SER A 74 -5.018 -4.979 -8.617 1.00 0.00 H new ATOM 0 HA SER A 74 -7.402 -6.352 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.912 -4.244 -10.819 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.586 -4.712 -11.046 1.00 0.00 H new ATOM 0 HG SER A 74 -6.392 -3.435 -8.785 1.00 0.00 H new ATOM 1175 N GLN A 75 -4.835 -6.936 -11.239 1.00 0.00 N ATOM 1176 CA GLN A 75 -4.277 -7.857 -12.215 1.00 0.00 C ATOM 1177 C GLN A 75 -3.798 -9.089 -11.450 1.00 0.00 C ATOM 1178 O GLN A 75 -3.452 -10.102 -12.056 1.00 0.00 O ATOM 1179 CB GLN A 75 -3.127 -7.188 -12.987 1.00 0.00 C ATOM 1180 CG GLN A 75 -3.570 -6.536 -14.307 1.00 0.00 C ATOM 1181 CD GLN A 75 -4.668 -5.481 -14.196 1.00 0.00 C ATOM 1182 OE1 GLN A 75 -5.575 -5.432 -15.013 1.00 0.00 O ATOM 1183 NE2 GLN A 75 -4.634 -4.605 -13.204 1.00 0.00 N ATOM 0 H GLN A 75 -4.175 -6.223 -10.930 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.024 -8.146 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.668 -6.430 -12.353 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.361 -7.933 -13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.698 -6.077 -14.773 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.915 -7.321 -14.980 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.880 -4.640 -12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.362 -3.895 -13.125 1.00 0.00 H new TER 1192 GLN A 75 END