USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) HEADER HEPARIN-BINDING GROWTH FACTOR 16-MAR-99 1MKN TITLE N-TERMINAL HALF OF MIDKINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (MIDKINE); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL HALF; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE SOURCE 4 SEQUENCE OF THIS PROTEIN IS NATURALLY FOUND IN HOMO SOURCE 5 SAPIENS (HUMAN). KEYWDS HEPARIN-BINDING GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR W.IWASAKI,K.NAGATA,H.HATANAKA,K.OGURA,T.INUI,T.KIMURA, AUTHOR 2 T.MURAMATSU,K.YOSHIDA,M.TASUMI,F.INAGAKI REVDAT 4 24-FEB-09 1MKN 1 VERSN REVDAT 3 01-APR-03 1MKN 1 JRNL REVDAT 2 21-APR-99 1MKN 1 REMARK REVDAT 1 23-MAR-99 1MKN 0 JRNL AUTH W.IWASAKI,K.NAGATA,H.HATANAKA,T.INUI,T.KIMURA, JRNL AUTH 2 T.MURAMATSU,K.YOSHIDA,M.TASUMI,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF MIDKINE, A NEW JRNL TITL 2 HEPARIN-BINDING GROWTH FACTOR. JRNL REF EMBO J. V. 16 6936 1997 JRNL REFN ISSN 0261-4189 JRNL PMID 9384573 JRNL DOI 10.1093/EMBOJ/16.23.6936 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: NULL REMARK 4 REMARK 4 1MKN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-99. REMARK 100 THE RCSB ID CODE IS RCSB000661. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 10% WATER/90% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY 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: MEAN STRUCTURE. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 3 46.41 -93.65 REMARK 500 LYS A 5 90.98 -47.35 REMARK 500 LYS A 8 151.86 57.03 REMARK 500 PRO A 11 -90.89 -78.25 REMARK 500 GLU A 14 145.66 -172.24 REMARK 500 CYS A 15 78.33 63.46 REMARK 500 GLU A 17 -88.85 -52.65 REMARK 500 TRP A 18 125.53 57.35 REMARK 500 ALA A 19 88.84 -57.20 REMARK 500 SER A 27 -97.41 -119.09 REMARK 500 LYS A 28 -132.72 -61.73 REMARK 500 CYS A 30 -104.72 178.41 REMARK 500 CYS A 39 -66.90 -120.96 REMARK 500 GLN A 42 -142.25 -114.99 REMARK 500 THR A 43 144.77 141.71 REMARK 500 GLN A 44 -167.12 165.24 REMARK 500 CYS A 48 132.77 -174.35 REMARK 500 PRO A 51 35.77 -79.17 REMARK 500 CYS A 52 60.49 39.19 REMARK 500 ASN A 53 33.71 -92.76 REMARK 500 GLU A 57 95.40 148.31 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 35 0.24 SIDE_CHAIN REMARK 500 ARG A 45 0.25 SIDE_CHAIN REMARK 500 ARG A 47 0.23 SIDE_CHAIN REMARK 500 ARG A 49 0.12 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1MKN A 1 59 UNP P21741 MK_HUMAN 23 81 SEQRES 1 A 59 LYS LYS LYS ASP LYS VAL LYS LYS GLY GLY PRO GLY SER SEQRES 2 A 59 GLU CYS ALA GLU TRP ALA TRP GLY PRO CYS THR PRO SER SEQRES 3 A 59 SER LYS ASP CYS GLY VAL GLY PHE ARG GLU GLY THR CYS SEQRES 4 A 59 GLY ALA GLN THR GLN ARG ILE ARG CYS ARG VAL PRO CYS SEQRES 5 A 59 ASN TRP LYS LYS GLU PHE GLY SHEET 1 B1 3 TRP A 20 PRO A 25 0 SHEET 2 B1 3 VAL A 32 CYS A 39 -1 O GLU A 36 N GLY A 21 SHEET 3 B1 3 GLN A 42 VAL A 50 -1 O ILE A 46 N ARG A 35 SSBOND *** CYS A 15 CYS A 39 1555 1555 2.02 SSBOND *** CYS A 23 CYS A 48 1555 1555 2.02 SSBOND *** CYS A 30 CYS A 52 1555 1555 2.02 HYDBND H GLY A 21 O GLU A 36 1555 1555 HYDBND H GLU A 36 O GLY A 21 1555 1555 HYDBND H CYS A 48 O GLY A 33 1555 1555 HYDBND H ARG A 35 O ILE A 46 1555 1555 HYDBND H ILE A 46 O ARG A 35 1555 1555 HYDBND H GLY A 37 O GLN A 44 1555 1555 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 LYS N :NH3+ 177:sc= 0 (180deg=-0.00779) USER MOD Single : A 1 LYS NZ :NH3+ -165:sc= -0.486 (180deg=-1.31!) USER MOD Single : A 2 LYS NZ :NH3+ -110:sc= -2.58! (180deg=-5.4!) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -1.09 (180deg=-2.51!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.101) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 23:sc= 0.388! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 43 THR OG1 : rot 74:sc= -7! USER MOD Single : A 44 GLN : amide:sc= -2.83! X(o=-2.8!,f=-2.4) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.47 F(o=-2.7!,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.225 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.600 -9.551 4.709 1.00 0.00 N ATOM 2 CA LYS A 1 -12.666 -8.988 5.724 1.00 0.00 C ATOM 3 C LYS A 1 -11.663 -10.064 6.145 1.00 0.00 C ATOM 4 O LYS A 1 -11.393 -10.252 7.315 1.00 0.00 O ATOM 5 CB LYS A 1 -13.459 -8.523 6.946 1.00 0.00 C ATOM 6 CG LYS A 1 -12.493 -8.037 8.028 1.00 0.00 C ATOM 7 CD LYS A 1 -12.686 -8.871 9.297 1.00 0.00 C ATOM 8 CE LYS A 1 -11.576 -8.543 10.297 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.310 -8.263 9.562 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.313 -8.837 4.460 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.067 -9.820 3.858 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.073 -10.391 5.100 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.131 -8.140 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.141 -7.720 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.069 -9.341 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.465 -8.122 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.671 -6.983 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.661 -8.662 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.668 -9.933 9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.858 -7.679 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.433 -9.377 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.510 -8.291 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.172 -8.981 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.364 -7.321 9.124 1.00 0.00 H new ATOM 25 N LYS A 2 -11.107 -10.772 5.200 1.00 0.00 N ATOM 26 CA LYS A 2 -10.121 -11.834 5.546 1.00 0.00 C ATOM 27 C LYS A 2 -8.969 -11.806 4.540 1.00 0.00 C ATOM 28 O LYS A 2 -9.061 -12.353 3.458 1.00 0.00 O ATOM 29 CB LYS A 2 -10.805 -13.202 5.500 1.00 0.00 C ATOM 30 CG LYS A 2 -9.950 -14.228 6.244 1.00 0.00 C ATOM 31 CD LYS A 2 -10.420 -14.330 7.696 1.00 0.00 C ATOM 32 CE LYS A 2 -9.219 -14.199 8.633 1.00 0.00 C ATOM 33 NZ LYS A 2 -9.662 -13.613 9.930 1.00 0.00 N ATOM 0 H LYS A 2 -11.293 -10.661 4.203 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.733 -11.656 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.794 -13.141 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.947 -13.514 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.025 -15.201 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.901 -13.935 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.148 -13.547 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.921 -15.284 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.766 -15.176 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.456 -13.567 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.288 -12.647 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.701 -13.586 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.306 -14.196 10.714 1.00 0.00 H new ATOM 47 N LYS A 3 -7.883 -11.170 4.887 1.00 0.00 N ATOM 48 CA LYS A 3 -6.725 -11.105 3.952 1.00 0.00 C ATOM 49 C LYS A 3 -5.756 -12.246 4.265 1.00 0.00 C ATOM 50 O LYS A 3 -4.561 -12.050 4.356 1.00 0.00 O ATOM 51 CB LYS A 3 -5.998 -9.767 4.121 1.00 0.00 C ATOM 52 CG LYS A 3 -7.014 -8.649 4.376 1.00 0.00 C ATOM 53 CD LYS A 3 -6.303 -7.449 5.004 1.00 0.00 C ATOM 54 CE LYS A 3 -6.644 -7.373 6.494 1.00 0.00 C ATOM 55 NZ LYS A 3 -6.610 -8.741 7.085 1.00 0.00 N ATOM 0 H LYS A 3 -7.748 -10.693 5.778 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.085 -11.196 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.295 -9.828 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.416 -9.544 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.490 -8.355 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.804 -9.005 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.225 -7.542 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.608 -6.530 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.933 -6.726 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.631 -6.932 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.435 -8.673 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.522 -9.213 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.849 -9.293 6.639 1.00 0.00 H new ATOM 69 N ASP A 4 -6.262 -13.438 4.437 1.00 0.00 N ATOM 70 CA ASP A 4 -5.366 -14.586 4.748 1.00 0.00 C ATOM 71 C ASP A 4 -4.354 -14.157 5.811 1.00 0.00 C ATOM 72 O ASP A 4 -3.174 -14.423 5.701 1.00 0.00 O ATOM 73 CB ASP A 4 -4.625 -15.015 3.481 1.00 0.00 C ATOM 74 CG ASP A 4 -5.638 -15.472 2.429 1.00 0.00 C ATOM 75 OD1 ASP A 4 -6.194 -16.545 2.598 1.00 0.00 O ATOM 76 OD2 ASP A 4 -5.842 -14.742 1.474 1.00 0.00 O ATOM 0 H ASP A 4 -7.255 -13.665 4.376 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.957 -15.423 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.032 -14.186 3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.931 -15.824 3.709 1.00 0.00 H new ATOM 81 N LYS A 5 -4.808 -13.489 6.835 1.00 0.00 N ATOM 82 CA LYS A 5 -3.878 -13.032 7.906 1.00 0.00 C ATOM 83 C LYS A 5 -2.960 -14.181 8.327 1.00 0.00 C ATOM 84 O LYS A 5 -3.276 -14.947 9.216 1.00 0.00 O ATOM 85 CB LYS A 5 -4.689 -12.561 9.115 1.00 0.00 C ATOM 86 CG LYS A 5 -5.616 -13.687 9.579 1.00 0.00 C ATOM 87 CD LYS A 5 -6.740 -13.104 10.437 1.00 0.00 C ATOM 88 CE LYS A 5 -6.209 -12.817 11.843 1.00 0.00 C ATOM 89 NZ LYS A 5 -6.991 -11.703 12.449 1.00 0.00 N ATOM 0 H LYS A 5 -5.787 -13.239 6.977 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.271 -12.210 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.019 -12.270 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.274 -11.679 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.035 -14.206 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.052 -14.424 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.119 -12.187 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.574 -13.803 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.287 -13.710 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.153 -12.552 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.632 -11.506 13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.894 -10.851 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.994 -11.973 12.505 1.00 0.00 H new ATOM 103 N VAL A 6 -1.821 -14.304 7.704 1.00 0.00 N ATOM 104 CA VAL A 6 -0.887 -15.399 8.084 1.00 0.00 C ATOM 105 C VAL A 6 -0.148 -14.995 9.361 1.00 0.00 C ATOM 106 O VAL A 6 0.434 -15.812 10.046 1.00 0.00 O ATOM 107 CB VAL A 6 0.099 -15.652 6.938 1.00 0.00 C ATOM 108 CG1 VAL A 6 0.577 -14.317 6.370 1.00 0.00 C ATOM 109 CG2 VAL A 6 1.300 -16.456 7.444 1.00 0.00 C ATOM 0 H VAL A 6 -1.498 -13.696 6.951 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.438 -16.321 8.270 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.404 -16.221 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.278 -14.498 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.278 -13.754 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.072 -13.744 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.994 -16.630 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.805 -15.898 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.957 -17.413 7.838 1.00 0.00 H new ATOM 119 N LYS A 7 -0.207 -13.740 9.699 1.00 0.00 N ATOM 120 CA LYS A 7 0.448 -13.258 10.950 1.00 0.00 C ATOM 121 C LYS A 7 -0.484 -13.575 12.119 1.00 0.00 C ATOM 122 O LYS A 7 -1.616 -13.140 12.148 1.00 0.00 O ATOM 123 CB LYS A 7 0.662 -11.742 10.866 1.00 0.00 C ATOM 124 CG LYS A 7 -0.678 -11.022 11.028 1.00 0.00 C ATOM 125 CD LYS A 7 -0.565 -9.607 10.455 1.00 0.00 C ATOM 126 CE LYS A 7 -1.899 -8.877 10.625 1.00 0.00 C ATOM 127 NZ LYS A 7 -2.078 -8.494 12.054 1.00 0.00 N ATOM 0 H LYS A 7 -0.685 -13.018 9.159 1.00 0.00 H new ATOM 0 HA LYS A 7 1.414 -13.745 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.355 -11.419 11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.112 -11.481 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.465 -11.573 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.956 -10.979 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.228 -9.060 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.295 -9.651 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.922 -7.989 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.720 -9.518 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.884 -7.842 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.260 -9.346 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.216 -8.026 12.399 1.00 0.00 H new ATOM 141 N LYS A 8 -0.020 -14.339 13.064 1.00 0.00 N ATOM 142 CA LYS A 8 -0.866 -14.710 14.239 1.00 0.00 C ATOM 143 C LYS A 8 -2.151 -15.394 13.772 1.00 0.00 C ATOM 144 O LYS A 8 -2.636 -15.160 12.683 1.00 0.00 O ATOM 145 CB LYS A 8 -1.186 -13.462 15.090 1.00 0.00 C ATOM 146 CG LYS A 8 -2.371 -12.674 14.512 1.00 0.00 C ATOM 147 CD LYS A 8 -3.105 -11.958 15.649 1.00 0.00 C ATOM 148 CE LYS A 8 -4.000 -12.954 16.388 1.00 0.00 C ATOM 149 NZ LYS A 8 -3.913 -12.706 17.856 1.00 0.00 N ATOM 0 H LYS A 8 0.922 -14.730 13.076 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.311 -15.412 14.862 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.414 -13.766 16.112 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.308 -12.818 15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.018 -11.949 13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.052 -13.348 13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.386 -11.518 16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.705 -11.140 15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.032 -12.851 16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.691 -13.974 16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.521 -13.383 18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.929 -12.825 18.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.228 -11.737 18.064 1.00 0.00 H new ATOM 163 N GLY A 9 -2.699 -16.248 14.592 1.00 0.00 N ATOM 164 CA GLY A 9 -3.947 -16.965 14.208 1.00 0.00 C ATOM 165 C GLY A 9 -3.882 -18.398 14.740 1.00 0.00 C ATOM 166 O GLY A 9 -4.871 -19.104 14.777 1.00 0.00 O ATOM 0 H GLY A 9 -2.334 -16.481 15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.817 -16.451 14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.060 -16.971 13.124 1.00 0.00 H new ATOM 170 N GLY A 10 -2.721 -18.831 15.153 1.00 0.00 N ATOM 171 CA GLY A 10 -2.583 -20.216 15.686 1.00 0.00 C ATOM 172 C GLY A 10 -1.129 -20.453 16.105 1.00 0.00 C ATOM 173 O GLY A 10 -0.215 -19.964 15.472 1.00 0.00 O ATOM 0 H GLY A 10 -1.861 -18.283 15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.247 -20.358 16.538 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.878 -20.941 14.928 1.00 0.00 H new ATOM 177 N PRO A 11 -0.960 -21.199 17.167 1.00 0.00 N ATOM 178 CA PRO A 11 0.372 -21.524 17.706 1.00 0.00 C ATOM 179 C PRO A 11 1.031 -22.631 16.877 1.00 0.00 C ATOM 180 O PRO A 11 1.714 -22.370 15.907 1.00 0.00 O ATOM 181 CB PRO A 11 0.074 -22.007 19.128 1.00 0.00 C ATOM 182 CG PRO A 11 -1.404 -22.469 19.130 1.00 0.00 C ATOM 183 CD PRO A 11 -2.080 -21.787 17.926 1.00 0.00 C ATOM 0 HA PRO A 11 1.062 -20.680 17.684 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.737 -22.825 19.408 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.232 -21.207 19.851 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.471 -23.554 19.049 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.896 -22.188 20.061 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.637 -22.504 17.323 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.788 -21.023 18.247 1.00 0.00 H new ATOM 191 N GLY A 12 0.831 -23.867 17.251 1.00 0.00 N ATOM 192 CA GLY A 12 1.446 -24.987 16.483 1.00 0.00 C ATOM 193 C GLY A 12 2.951 -25.030 16.751 1.00 0.00 C ATOM 194 O GLY A 12 3.723 -24.335 16.120 1.00 0.00 O ATOM 0 H GLY A 12 0.269 -24.148 18.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.988 -25.933 16.772 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.260 -24.855 15.417 1.00 0.00 H new ATOM 198 N SER A 13 3.376 -25.841 17.681 1.00 0.00 N ATOM 199 CA SER A 13 4.831 -25.928 17.988 1.00 0.00 C ATOM 200 C SER A 13 5.278 -27.391 17.919 1.00 0.00 C ATOM 201 O SER A 13 4.706 -28.255 18.553 1.00 0.00 O ATOM 202 CB SER A 13 5.090 -25.381 19.392 1.00 0.00 C ATOM 203 OG SER A 13 4.439 -26.212 20.345 1.00 0.00 O ATOM 0 H SER A 13 2.777 -26.447 18.242 1.00 0.00 H new ATOM 0 HA SER A 13 5.392 -25.341 17.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.161 -25.349 19.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.721 -24.359 19.471 1.00 0.00 H new ATOM 0 HG SER A 13 4.301 -27.103 19.962 1.00 0.00 H new ATOM 209 N GLU A 14 6.298 -27.676 17.153 1.00 0.00 N ATOM 210 CA GLU A 14 6.777 -29.081 17.045 1.00 0.00 C ATOM 211 C GLU A 14 8.085 -29.113 16.250 1.00 0.00 C ATOM 212 O GLU A 14 8.286 -28.339 15.335 1.00 0.00 O ATOM 213 CB GLU A 14 5.723 -29.926 16.328 1.00 0.00 C ATOM 214 CG GLU A 14 5.041 -30.854 17.335 1.00 0.00 C ATOM 215 CD GLU A 14 3.610 -30.374 17.584 1.00 0.00 C ATOM 216 OE1 GLU A 14 2.975 -29.947 16.632 1.00 0.00 O ATOM 217 OE2 GLU A 14 3.173 -30.441 18.720 1.00 0.00 O ATOM 0 H GLU A 14 6.818 -26.996 16.599 1.00 0.00 H new ATOM 0 HA GLU A 14 6.948 -29.485 18.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.984 -29.280 15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.189 -30.512 15.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.032 -31.876 16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.600 -30.866 18.271 1.00 0.00 H new ATOM 224 N CYS A 15 8.973 -30.003 16.595 1.00 0.00 N ATOM 225 CA CYS A 15 10.270 -30.090 15.865 1.00 0.00 C ATOM 226 C CYS A 15 11.058 -28.792 16.059 1.00 0.00 C ATOM 227 O CYS A 15 11.099 -27.947 15.187 1.00 0.00 O ATOM 228 CB CYS A 15 10.012 -30.300 14.368 1.00 0.00 C ATOM 229 SG CYS A 15 9.927 -32.064 13.999 1.00 0.00 S ATOM 0 H CYS A 15 8.857 -30.676 17.353 1.00 0.00 H new ATOM 0 HA CYS A 15 10.842 -30.931 16.258 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.080 -29.814 14.079 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.807 -29.836 13.785 1.00 0.00 H new ATOM 234 N ALA A 16 11.690 -28.623 17.191 1.00 0.00 N ATOM 235 CA ALA A 16 12.476 -27.376 17.416 1.00 0.00 C ATOM 236 C ALA A 16 13.318 -27.100 16.178 1.00 0.00 C ATOM 237 O ALA A 16 13.195 -26.063 15.560 1.00 0.00 O ATOM 238 CB ALA A 16 13.383 -27.545 18.635 1.00 0.00 C ATOM 0 H ALA A 16 11.696 -29.289 17.963 1.00 0.00 H new ATOM 0 HA ALA A 16 11.800 -26.540 17.598 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.954 -26.630 18.793 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.774 -27.750 19.516 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.068 -28.376 18.466 1.00 0.00 H new ATOM 244 N GLU A 17 14.148 -28.027 15.783 1.00 0.00 N ATOM 245 CA GLU A 17 14.945 -27.795 14.554 1.00 0.00 C ATOM 246 C GLU A 17 13.957 -27.419 13.472 1.00 0.00 C ATOM 247 O GLU A 17 13.624 -26.266 13.298 1.00 0.00 O ATOM 248 CB GLU A 17 15.697 -29.070 14.164 1.00 0.00 C ATOM 249 CG GLU A 17 16.918 -29.237 15.070 1.00 0.00 C ATOM 250 CD GLU A 17 17.751 -30.429 14.592 1.00 0.00 C ATOM 251 OE1 GLU A 17 17.301 -31.118 13.691 1.00 0.00 O ATOM 252 OE2 GLU A 17 18.825 -30.632 15.134 1.00 0.00 O ATOM 0 H GLU A 17 14.305 -28.919 16.252 1.00 0.00 H new ATOM 0 HA GLU A 17 15.686 -27.010 14.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.041 -29.935 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.009 -29.017 13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.521 -28.329 15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.600 -29.392 16.101 1.00 0.00 H new ATOM 259 N TRP A 18 13.444 -28.387 12.785 1.00 0.00 N ATOM 260 CA TRP A 18 12.421 -28.091 11.753 1.00 0.00 C ATOM 261 C TRP A 18 12.981 -27.105 10.726 1.00 0.00 C ATOM 262 O TRP A 18 13.403 -26.026 11.069 1.00 0.00 O ATOM 263 CB TRP A 18 11.210 -27.459 12.478 1.00 0.00 C ATOM 264 CG TRP A 18 10.247 -26.829 11.512 1.00 0.00 C ATOM 265 CD1 TRP A 18 10.550 -25.868 10.619 1.00 0.00 C ATOM 266 CD2 TRP A 18 8.824 -27.071 11.365 1.00 0.00 C ATOM 267 NE1 TRP A 18 9.427 -25.532 9.911 1.00 0.00 N ATOM 268 CE2 TRP A 18 8.334 -26.253 10.323 1.00 0.00 C ATOM 269 CE3 TRP A 18 7.926 -27.924 12.013 1.00 0.00 C ATOM 270 CZ2 TRP A 18 7.002 -26.283 9.936 1.00 0.00 C ATOM 271 CZ3 TRP A 18 6.579 -27.962 11.629 1.00 0.00 C ATOM 272 CH2 TRP A 18 6.120 -27.145 10.588 1.00 0.00 C ATOM 0 H TRP A 18 13.686 -29.372 12.891 1.00 0.00 H new ATOM 0 HA TRP A 18 12.130 -29.000 11.227 1.00 0.00 H new ATOM 0 HB2 TRP A 18 10.694 -28.224 13.058 1.00 0.00 H new ATOM 0 HB3 TRP A 18 11.561 -26.706 13.184 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.528 -25.430 10.482 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.405 -24.832 9.169 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.273 -28.558 12.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.651 -25.645 9.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.893 -28.623 12.137 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.083 -27.182 10.290 1.00 0.00 H new ATOM 283 N ALA A 19 12.940 -27.438 9.464 1.00 0.00 N ATOM 284 CA ALA A 19 13.412 -26.468 8.433 1.00 0.00 C ATOM 285 C ALA A 19 12.583 -25.197 8.617 1.00 0.00 C ATOM 286 O ALA A 19 11.519 -25.069 8.061 1.00 0.00 O ATOM 287 CB ALA A 19 13.137 -27.046 7.046 1.00 0.00 C ATOM 0 H ALA A 19 12.603 -28.331 9.104 1.00 0.00 H new ATOM 0 HA ALA A 19 14.478 -26.266 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.479 -26.344 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.669 -27.991 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.067 -27.216 6.928 1.00 0.00 H new ATOM 293 N TRP A 20 13.016 -24.286 9.447 1.00 0.00 N ATOM 294 CA TRP A 20 12.182 -23.071 9.712 1.00 0.00 C ATOM 295 C TRP A 20 12.696 -21.861 8.927 1.00 0.00 C ATOM 296 O TRP A 20 13.648 -21.215 9.314 1.00 0.00 O ATOM 297 CB TRP A 20 12.196 -22.751 11.225 1.00 0.00 C ATOM 298 CG TRP A 20 11.045 -23.447 11.905 1.00 0.00 C ATOM 299 CD1 TRP A 20 11.155 -24.437 12.835 1.00 0.00 C ATOM 300 CD2 TRP A 20 9.614 -23.221 11.729 1.00 0.00 C ATOM 301 NE1 TRP A 20 9.881 -24.857 13.193 1.00 0.00 N ATOM 302 CE2 TRP A 20 8.905 -24.133 12.550 1.00 0.00 C ATOM 303 CE3 TRP A 20 8.863 -22.336 10.938 1.00 0.00 C ATOM 304 CZ2 TRP A 20 7.514 -24.160 12.575 1.00 0.00 C ATOM 305 CZ3 TRP A 20 7.469 -22.363 10.968 1.00 0.00 C ATOM 306 CH2 TRP A 20 6.796 -23.267 11.777 1.00 0.00 C ATOM 0 H TRP A 20 13.902 -24.327 9.950 1.00 0.00 H new ATOM 0 HA TRP A 20 11.163 -23.281 9.386 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.139 -23.074 11.665 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.124 -21.674 11.379 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.081 -24.830 13.229 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.692 -25.611 13.853 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.370 -21.627 10.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 6.994 -24.866 13.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 6.908 -21.673 10.355 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.716 -23.280 11.790 1.00 0.00 H new ATOM 317 N GLY A 21 12.044 -21.529 7.839 1.00 0.00 N ATOM 318 CA GLY A 21 12.472 -20.335 7.054 1.00 0.00 C ATOM 319 C GLY A 21 12.389 -19.126 7.981 1.00 0.00 C ATOM 320 O GLY A 21 11.806 -19.221 9.037 1.00 0.00 O ATOM 0 H GLY A 21 11.239 -22.031 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.488 -20.464 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.829 -20.197 6.184 1.00 0.00 H new ATOM 324 N PRO A 22 12.978 -18.031 7.570 1.00 0.00 N ATOM 325 CA PRO A 22 13.004 -16.794 8.376 1.00 0.00 C ATOM 326 C PRO A 22 11.618 -16.157 8.464 1.00 0.00 C ATOM 327 O PRO A 22 10.669 -16.627 7.871 1.00 0.00 O ATOM 328 CB PRO A 22 13.993 -15.895 7.638 1.00 0.00 C ATOM 329 CG PRO A 22 14.051 -16.426 6.196 1.00 0.00 C ATOM 330 CD PRO A 22 13.643 -17.911 6.260 1.00 0.00 C ATOM 0 HA PRO A 22 13.299 -16.973 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.666 -14.855 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.977 -15.929 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.376 -15.866 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.053 -16.317 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.972 -18.178 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.509 -18.568 6.188 1.00 0.00 H new ATOM 338 N CYS A 23 11.497 -15.095 9.216 1.00 0.00 N ATOM 339 CA CYS A 23 10.173 -14.433 9.375 1.00 0.00 C ATOM 340 C CYS A 23 9.870 -13.550 8.167 1.00 0.00 C ATOM 341 O CYS A 23 10.688 -13.371 7.286 1.00 0.00 O ATOM 342 CB CYS A 23 10.185 -13.571 10.639 1.00 0.00 C ATOM 343 SG CYS A 23 10.790 -14.550 12.037 1.00 0.00 S ATOM 0 H CYS A 23 12.263 -14.657 9.728 1.00 0.00 H new ATOM 0 HA CYS A 23 9.403 -15.201 9.454 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.822 -12.699 10.490 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.181 -13.201 10.848 1.00 0.00 H new ATOM 348 N THR A 24 8.692 -12.995 8.131 1.00 0.00 N ATOM 349 CA THR A 24 8.306 -12.116 6.997 1.00 0.00 C ATOM 350 C THR A 24 7.150 -11.215 7.446 1.00 0.00 C ATOM 351 O THR A 24 6.192 -11.691 8.023 1.00 0.00 O ATOM 352 CB THR A 24 7.852 -12.978 5.818 1.00 0.00 C ATOM 353 OG1 THR A 24 8.744 -12.794 4.727 1.00 0.00 O ATOM 354 CG2 THR A 24 6.439 -12.570 5.399 1.00 0.00 C ATOM 0 H THR A 24 7.974 -13.115 8.846 1.00 0.00 H new ATOM 0 HA THR A 24 9.156 -11.506 6.691 1.00 0.00 H new ATOM 0 HB THR A 24 7.851 -14.027 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.455 -13.347 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.117 -13.185 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.756 -12.713 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.436 -11.521 5.103 1.00 0.00 H new ATOM 362 N PRO A 25 7.269 -9.942 7.173 1.00 0.00 N ATOM 363 CA PRO A 25 6.238 -8.962 7.546 1.00 0.00 C ATOM 364 C PRO A 25 5.042 -9.063 6.596 1.00 0.00 C ATOM 365 O PRO A 25 4.866 -8.251 5.710 1.00 0.00 O ATOM 366 CB PRO A 25 6.951 -7.615 7.408 1.00 0.00 C ATOM 367 CG PRO A 25 8.143 -7.849 6.450 1.00 0.00 C ATOM 368 CD PRO A 25 8.430 -9.362 6.466 1.00 0.00 C ATOM 0 HA PRO A 25 5.837 -9.116 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.276 -6.857 7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.296 -7.257 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.902 -7.511 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.018 -7.285 6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.521 -9.761 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.363 -9.585 6.983 1.00 0.00 H new ATOM 376 N SER A 26 4.221 -10.062 6.778 1.00 0.00 N ATOM 377 CA SER A 26 3.035 -10.231 5.894 1.00 0.00 C ATOM 378 C SER A 26 2.300 -8.897 5.752 1.00 0.00 C ATOM 379 O SER A 26 1.580 -8.674 4.799 1.00 0.00 O ATOM 380 CB SER A 26 2.092 -11.271 6.503 1.00 0.00 C ATOM 381 OG SER A 26 0.774 -10.739 6.549 1.00 0.00 O ATOM 0 H SER A 26 4.322 -10.771 7.505 1.00 0.00 H new ATOM 0 HA SER A 26 3.363 -10.566 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.107 -12.185 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.425 -11.537 7.506 1.00 0.00 H new ATOM 0 HG SER A 26 0.167 -11.403 6.937 1.00 0.00 H new ATOM 387 N SER A 27 2.470 -8.007 6.691 1.00 0.00 N ATOM 388 CA SER A 27 1.774 -6.692 6.602 1.00 0.00 C ATOM 389 C SER A 27 2.807 -5.563 6.547 1.00 0.00 C ATOM 390 O SER A 27 3.343 -5.250 5.502 1.00 0.00 O ATOM 391 CB SER A 27 0.869 -6.512 7.823 1.00 0.00 C ATOM 392 OG SER A 27 -0.377 -7.150 7.580 1.00 0.00 O ATOM 0 H SER A 27 3.059 -8.133 7.514 1.00 0.00 H new ATOM 0 HA SER A 27 1.168 -6.662 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.343 -6.938 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.715 -5.452 8.023 1.00 0.00 H new ATOM 0 HG SER A 27 -1.012 -6.906 8.285 1.00 0.00 H new ATOM 398 N LYS A 28 3.091 -4.946 7.662 1.00 0.00 N ATOM 399 CA LYS A 28 4.086 -3.837 7.669 1.00 0.00 C ATOM 400 C LYS A 28 5.454 -4.374 7.223 1.00 0.00 C ATOM 401 O LYS A 28 5.555 -5.074 6.236 1.00 0.00 O ATOM 402 CB LYS A 28 4.179 -3.255 9.082 1.00 0.00 C ATOM 403 CG LYS A 28 2.784 -2.842 9.555 1.00 0.00 C ATOM 404 CD LYS A 28 2.515 -1.392 9.146 1.00 0.00 C ATOM 405 CE LYS A 28 1.232 -1.324 8.317 1.00 0.00 C ATOM 406 NZ LYS A 28 0.398 -0.181 8.785 1.00 0.00 N ATOM 0 H LYS A 28 2.676 -5.163 8.568 1.00 0.00 H new ATOM 0 HA LYS A 28 3.774 -3.053 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.602 -3.993 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.847 -2.394 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.031 -3.499 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.710 -2.945 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.421 -0.765 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.354 -1.004 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.475 -1.203 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.676 -2.257 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.475 -0.134 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.156 -0.315 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.930 0.706 8.673 1.00 0.00 H new ATOM 420 N ASP A 29 6.507 -4.055 7.932 1.00 0.00 N ATOM 421 CA ASP A 29 7.851 -4.558 7.529 1.00 0.00 C ATOM 422 C ASP A 29 8.590 -5.089 8.759 1.00 0.00 C ATOM 423 O ASP A 29 9.800 -5.195 8.770 1.00 0.00 O ATOM 424 CB ASP A 29 8.658 -3.419 6.902 1.00 0.00 C ATOM 425 CG ASP A 29 9.374 -3.930 5.650 1.00 0.00 C ATOM 426 OD1 ASP A 29 8.917 -4.912 5.088 1.00 0.00 O ATOM 427 OD2 ASP A 29 10.368 -3.331 5.274 1.00 0.00 O ATOM 0 H ASP A 29 6.493 -3.471 8.768 1.00 0.00 H new ATOM 0 HA ASP A 29 7.732 -5.362 6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.998 -2.591 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.385 -3.036 7.619 1.00 0.00 H new ATOM 432 N CYS A 30 7.871 -5.429 9.794 1.00 0.00 N ATOM 433 CA CYS A 30 8.525 -5.958 11.017 1.00 0.00 C ATOM 434 C CYS A 30 7.457 -6.237 12.082 1.00 0.00 C ATOM 435 O CYS A 30 6.739 -7.208 11.978 1.00 0.00 O ATOM 436 CB CYS A 30 9.544 -4.944 11.539 1.00 0.00 C ATOM 437 SG CYS A 30 8.982 -3.266 11.149 1.00 0.00 S ATOM 0 H CYS A 30 6.854 -5.362 9.842 1.00 0.00 H new ATOM 0 HA CYS A 30 9.046 -6.886 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.666 -5.057 12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.519 -5.127 11.087 1.00 0.00 H new ATOM 442 N GLY A 31 7.347 -5.396 13.094 1.00 0.00 N ATOM 443 CA GLY A 31 6.326 -5.610 14.169 1.00 0.00 C ATOM 444 C GLY A 31 6.142 -7.105 14.396 1.00 0.00 C ATOM 445 O GLY A 31 6.866 -7.732 15.143 1.00 0.00 O ATOM 0 H GLY A 31 7.928 -4.566 13.217 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.646 -5.127 15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.378 -5.154 13.883 1.00 0.00 H new ATOM 449 N VAL A 32 5.199 -7.681 13.718 1.00 0.00 N ATOM 450 CA VAL A 32 4.976 -9.144 13.836 1.00 0.00 C ATOM 451 C VAL A 32 5.602 -9.803 12.609 1.00 0.00 C ATOM 452 O VAL A 32 5.569 -9.257 11.523 1.00 0.00 O ATOM 453 CB VAL A 32 3.477 -9.443 13.883 1.00 0.00 C ATOM 454 CG1 VAL A 32 3.012 -9.935 12.512 1.00 0.00 C ATOM 455 CG2 VAL A 32 3.210 -10.526 14.931 1.00 0.00 C ATOM 0 H VAL A 32 4.566 -7.198 13.080 1.00 0.00 H new ATOM 0 HA VAL A 32 5.427 -9.529 14.751 1.00 0.00 H new ATOM 0 HB VAL A 32 2.932 -8.537 14.147 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.944 -10.148 12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.205 -9.166 11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.555 -10.842 12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.142 -10.742 14.967 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.754 -11.432 14.665 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.543 -10.177 15.908 1.00 0.00 H new ATOM 465 N GLY A 33 6.187 -10.956 12.758 1.00 0.00 N ATOM 466 CA GLY A 33 6.820 -11.607 11.577 1.00 0.00 C ATOM 467 C GLY A 33 7.038 -13.088 11.859 1.00 0.00 C ATOM 468 O GLY A 33 7.910 -13.468 12.614 1.00 0.00 O ATOM 0 H GLY A 33 6.255 -11.472 13.635 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.186 -11.484 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.772 -11.126 11.352 1.00 0.00 H new ATOM 472 N PHE A 34 6.236 -13.926 11.272 1.00 0.00 N ATOM 473 CA PHE A 34 6.386 -15.391 11.522 1.00 0.00 C ATOM 474 C PHE A 34 7.309 -16.052 10.507 1.00 0.00 C ATOM 475 O PHE A 34 7.318 -15.721 9.338 1.00 0.00 O ATOM 476 CB PHE A 34 5.025 -16.076 11.405 1.00 0.00 C ATOM 477 CG PHE A 34 4.325 -15.462 10.242 1.00 0.00 C ATOM 478 CD1 PHE A 34 4.540 -15.943 8.950 1.00 0.00 C ATOM 479 CD2 PHE A 34 3.504 -14.372 10.460 1.00 0.00 C ATOM 480 CE1 PHE A 34 3.912 -15.319 7.867 1.00 0.00 C ATOM 481 CE2 PHE A 34 2.889 -13.739 9.394 1.00 0.00 C ATOM 482 CZ PHE A 34 3.085 -14.209 8.089 1.00 0.00 C ATOM 0 H PHE A 34 5.485 -13.667 10.632 1.00 0.00 H new ATOM 0 HA PHE A 34 6.808 -15.499 12.521 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.145 -17.150 11.259 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.446 -15.941 12.318 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.187 -16.792 8.787 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.342 -14.013 11.466 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.064 -15.691 6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.257 -12.881 9.569 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.601 -13.718 7.257 1.00 0.00 H new ATOM 492 N ARG A 35 8.031 -17.048 10.943 1.00 0.00 N ATOM 493 CA ARG A 35 8.893 -17.807 10.003 1.00 0.00 C ATOM 494 C ARG A 35 8.013 -18.887 9.393 1.00 0.00 C ATOM 495 O ARG A 35 6.836 -18.959 9.687 1.00 0.00 O ATOM 496 CB ARG A 35 10.108 -18.442 10.711 1.00 0.00 C ATOM 497 CG ARG A 35 9.951 -18.415 12.233 1.00 0.00 C ATOM 498 CD ARG A 35 10.884 -19.451 12.865 1.00 0.00 C ATOM 499 NE ARG A 35 10.212 -20.076 14.044 1.00 0.00 N ATOM 500 CZ ARG A 35 10.743 -19.963 15.232 1.00 0.00 C ATOM 501 NH1 ARG A 35 11.087 -18.788 15.684 1.00 0.00 N ATOM 502 NH2 ARG A 35 10.930 -21.025 15.966 1.00 0.00 N ATOM 0 H ARG A 35 8.059 -17.367 11.912 1.00 0.00 H new ATOM 0 HA ARG A 35 9.301 -17.138 9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.228 -19.472 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.015 -17.907 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.183 -17.421 12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.917 -18.628 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.143 -20.216 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.815 -18.976 13.174 1.00 0.00 H new ATOM 0 HE ARG A 35 9.340 -20.590 13.921 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.941 -17.958 15.110 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.502 -18.700 16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.662 -21.943 15.612 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.345 -20.937 16.894 1.00 0.00 H new ATOM 516 N GLU A 36 8.527 -19.718 8.538 1.00 0.00 N ATOM 517 CA GLU A 36 7.628 -20.745 7.947 1.00 0.00 C ATOM 518 C GLU A 36 8.428 -21.891 7.342 1.00 0.00 C ATOM 519 O GLU A 36 9.383 -21.668 6.624 1.00 0.00 O ATOM 520 CB GLU A 36 6.781 -20.097 6.853 1.00 0.00 C ATOM 521 CG GLU A 36 5.561 -20.972 6.590 1.00 0.00 C ATOM 522 CD GLU A 36 5.385 -21.173 5.084 1.00 0.00 C ATOM 523 OE1 GLU A 36 6.217 -21.844 4.495 1.00 0.00 O ATOM 524 OE2 GLU A 36 4.421 -20.655 4.545 1.00 0.00 O ATOM 0 H GLU A 36 9.499 -19.735 8.228 1.00 0.00 H new ATOM 0 HA GLU A 36 6.993 -21.145 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.470 -19.098 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.367 -19.983 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.680 -21.936 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.670 -20.506 7.011 1.00 0.00 H new ATOM 531 N GLY A 37 8.059 -23.125 7.600 1.00 0.00 N ATOM 532 CA GLY A 37 8.849 -24.217 6.980 1.00 0.00 C ATOM 533 C GLY A 37 8.244 -25.598 7.203 1.00 0.00 C ATOM 534 O GLY A 37 7.051 -25.795 7.120 1.00 0.00 O ATOM 0 H GLY A 37 7.276 -23.408 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.933 -24.033 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.860 -24.201 7.386 1.00 0.00 H new ATOM 538 N THR A 38 9.088 -26.572 7.427 1.00 0.00 N ATOM 539 CA THR A 38 8.607 -27.967 7.592 1.00 0.00 C ATOM 540 C THR A 38 9.415 -28.698 8.668 1.00 0.00 C ATOM 541 O THR A 38 10.535 -28.346 8.965 1.00 0.00 O ATOM 542 CB THR A 38 8.824 -28.695 6.265 1.00 0.00 C ATOM 543 OG1 THR A 38 10.196 -28.609 5.906 1.00 0.00 O ATOM 544 CG2 THR A 38 7.974 -28.051 5.169 1.00 0.00 C ATOM 0 H THR A 38 10.098 -26.454 7.503 1.00 0.00 H new ATOM 0 HA THR A 38 7.557 -27.952 7.884 1.00 0.00 H new ATOM 0 HB THR A 38 8.532 -29.739 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.342 -29.076 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.135 -28.576 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.921 -28.112 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.259 -27.005 5.054 1.00 0.00 H new ATOM 552 N CYS A 39 8.857 -29.742 9.219 1.00 0.00 N ATOM 553 CA CYS A 39 9.591 -30.547 10.244 1.00 0.00 C ATOM 554 C CYS A 39 9.699 -31.978 9.732 1.00 0.00 C ATOM 555 O CYS A 39 10.764 -32.472 9.421 1.00 0.00 O ATOM 556 CB CYS A 39 8.832 -30.517 11.579 1.00 0.00 C ATOM 557 SG CYS A 39 8.781 -32.173 12.334 1.00 0.00 S ATOM 0 H CYS A 39 7.918 -30.076 9.003 1.00 0.00 H new ATOM 0 HA CYS A 39 10.585 -30.132 10.409 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.315 -29.817 12.261 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.817 -30.155 11.417 1.00 0.00 H new ATOM 562 N GLY A 40 8.590 -32.629 9.639 1.00 0.00 N ATOM 563 CA GLY A 40 8.567 -34.034 9.142 1.00 0.00 C ATOM 564 C GLY A 40 7.341 -34.221 8.247 1.00 0.00 C ATOM 565 O GLY A 40 7.438 -34.228 7.036 1.00 0.00 O ATOM 0 H GLY A 40 7.677 -32.249 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.478 -34.252 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.532 -34.730 9.980 1.00 0.00 H new ATOM 569 N ALA A 41 6.186 -34.357 8.835 1.00 0.00 N ATOM 570 CA ALA A 41 4.950 -34.526 8.024 1.00 0.00 C ATOM 571 C ALA A 41 4.030 -33.333 8.282 1.00 0.00 C ATOM 572 O ALA A 41 2.846 -33.375 8.011 1.00 0.00 O ATOM 573 CB ALA A 41 4.239 -35.819 8.431 1.00 0.00 C ATOM 0 H ALA A 41 6.045 -34.358 9.845 1.00 0.00 H new ATOM 0 HA ALA A 41 5.205 -34.579 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.334 -35.940 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.902 -36.668 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.974 -35.772 9.487 1.00 0.00 H new ATOM 579 N GLN A 42 4.571 -32.269 8.812 1.00 0.00 N ATOM 580 CA GLN A 42 3.738 -31.069 9.101 1.00 0.00 C ATOM 581 C GLN A 42 4.199 -29.900 8.221 1.00 0.00 C ATOM 582 O GLN A 42 4.542 -30.093 7.074 1.00 0.00 O ATOM 583 CB GLN A 42 3.886 -30.704 10.580 1.00 0.00 C ATOM 584 CG GLN A 42 3.550 -31.924 11.440 1.00 0.00 C ATOM 585 CD GLN A 42 3.419 -31.497 12.903 1.00 0.00 C ATOM 586 OE1 GLN A 42 4.393 -30.838 13.468 1.00 0.00 O flip ATOM 587 NE2 GLN A 42 2.419 -31.766 13.540 1.00 0.00 N flip ATOM 0 H GLN A 42 5.557 -32.180 9.057 1.00 0.00 H new ATOM 0 HA GLN A 42 2.691 -31.282 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.904 -30.371 10.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.223 -29.875 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.620 -32.378 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.329 -32.679 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.657 -32.281 13.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.342 -31.476 14.515 1.00 0.00 H new ATOM 596 N THR A 43 4.197 -28.697 8.761 1.00 0.00 N ATOM 597 CA THR A 43 4.617 -27.472 7.997 1.00 0.00 C ATOM 598 C THR A 43 3.696 -26.325 8.404 1.00 0.00 C ATOM 599 O THR A 43 2.522 -26.531 8.643 1.00 0.00 O ATOM 600 CB THR A 43 4.488 -27.683 6.482 1.00 0.00 C ATOM 601 OG1 THR A 43 5.613 -28.407 6.007 1.00 0.00 O ATOM 602 CG2 THR A 43 4.427 -26.325 5.774 1.00 0.00 C ATOM 0 H THR A 43 3.914 -28.511 9.723 1.00 0.00 H new ATOM 0 HA THR A 43 5.660 -27.255 8.226 1.00 0.00 H new ATOM 0 HB THR A 43 3.576 -28.243 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.536 -29.346 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.335 -26.479 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.564 -25.765 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.338 -25.764 5.984 1.00 0.00 H new ATOM 610 N GLN A 44 4.192 -25.117 8.478 1.00 0.00 N ATOM 611 CA GLN A 44 3.290 -23.989 8.862 1.00 0.00 C ATOM 612 C GLN A 44 4.109 -22.763 9.242 1.00 0.00 C ATOM 613 O GLN A 44 5.293 -22.685 8.979 1.00 0.00 O ATOM 614 CB GLN A 44 2.412 -24.392 10.050 1.00 0.00 C ATOM 615 CG GLN A 44 3.234 -25.200 11.059 1.00 0.00 C ATOM 616 CD GLN A 44 3.357 -24.416 12.371 1.00 0.00 C ATOM 617 OE1 GLN A 44 2.397 -23.837 12.839 1.00 0.00 O ATOM 618 NE2 GLN A 44 4.510 -24.376 12.984 1.00 0.00 N ATOM 0 H GLN A 44 5.163 -24.865 8.293 1.00 0.00 H new ATOM 0 HA GLN A 44 2.658 -23.752 8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.005 -23.502 10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.565 -24.983 9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.757 -26.163 11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.224 -25.407 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.315 -24.863 12.589 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.606 -23.858 13.857 1.00 0.00 H new ATOM 627 N ARG A 45 3.481 -21.790 9.842 1.00 0.00 N ATOM 628 CA ARG A 45 4.216 -20.561 10.216 1.00 0.00 C ATOM 629 C ARG A 45 4.043 -20.273 11.704 1.00 0.00 C ATOM 630 O ARG A 45 3.150 -20.770 12.360 1.00 0.00 O ATOM 631 CB ARG A 45 3.689 -19.365 9.411 1.00 0.00 C ATOM 632 CG ARG A 45 2.660 -19.823 8.370 1.00 0.00 C ATOM 633 CD ARG A 45 1.248 -19.539 8.888 1.00 0.00 C ATOM 634 NE ARG A 45 0.263 -19.758 7.790 1.00 0.00 N ATOM 635 CZ ARG A 45 -0.827 -19.040 7.737 1.00 0.00 C ATOM 636 NH1 ARG A 45 -1.614 -18.971 8.774 1.00 0.00 N ATOM 637 NH2 ARG A 45 -1.131 -18.396 6.644 1.00 0.00 N ATOM 0 H ARG A 45 2.491 -21.798 10.087 1.00 0.00 H new ATOM 0 HA ARG A 45 5.273 -20.713 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.234 -18.639 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.518 -18.862 8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.824 -19.302 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.778 -20.888 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.020 -20.191 9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.182 -18.514 9.251 1.00 0.00 H new ATOM 0 HE ARG A 45 0.440 -20.469 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.379 -19.478 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.465 -18.410 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.518 -18.453 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.982 -17.835 6.602 1.00 0.00 H new ATOM 651 N ILE A 46 4.905 -19.451 12.214 1.00 0.00 N ATOM 652 CA ILE A 46 4.872 -19.052 13.651 1.00 0.00 C ATOM 653 C ILE A 46 5.457 -17.677 13.725 1.00 0.00 C ATOM 654 O ILE A 46 6.410 -17.382 13.063 1.00 0.00 O ATOM 655 CB ILE A 46 5.696 -20.003 14.504 1.00 0.00 C ATOM 656 CG1 ILE A 46 7.170 -19.919 14.151 1.00 0.00 C ATOM 657 CG2 ILE A 46 5.215 -21.387 14.213 1.00 0.00 C ATOM 658 CD1 ILE A 46 7.339 -20.208 12.668 1.00 0.00 C ATOM 0 H ILE A 46 5.660 -19.021 11.680 1.00 0.00 H new ATOM 0 HA ILE A 46 3.850 -19.080 14.028 1.00 0.00 H new ATOM 0 HB ILE A 46 5.582 -19.742 15.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.559 -18.929 14.389 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.740 -20.636 14.742 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.783 -22.102 14.808 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.157 -21.465 14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.353 -21.605 13.154 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.395 -20.150 12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.964 -21.207 12.447 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.779 -19.474 12.088 1.00 0.00 H new ATOM 670 N ARG A 47 4.873 -16.832 14.485 1.00 0.00 N ATOM 671 CA ARG A 47 5.372 -15.426 14.529 1.00 0.00 C ATOM 672 C ARG A 47 6.748 -15.289 15.153 1.00 0.00 C ATOM 673 O ARG A 47 7.333 -16.215 15.681 1.00 0.00 O ATOM 674 CB ARG A 47 4.422 -14.554 15.309 1.00 0.00 C ATOM 675 CG ARG A 47 3.296 -14.091 14.396 1.00 0.00 C ATOM 676 CD ARG A 47 2.042 -14.144 15.227 1.00 0.00 C ATOM 677 NE ARG A 47 1.783 -15.568 15.607 1.00 0.00 N ATOM 678 CZ ARG A 47 1.059 -15.842 16.657 1.00 0.00 C ATOM 679 NH1 ARG A 47 1.283 -15.223 17.785 1.00 0.00 N ATOM 680 NH2 ARG A 47 0.113 -16.736 16.581 1.00 0.00 N ATOM 0 H ARG A 47 4.072 -17.034 15.084 1.00 0.00 H new ATOM 0 HA ARG A 47 5.439 -15.110 13.488 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.015 -15.107 16.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.952 -13.693 15.716 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.480 -13.081 14.031 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.212 -14.736 13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.153 -13.528 16.119 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.198 -13.743 14.665 1.00 0.00 H new ATOM 0 HE ARG A 47 2.173 -16.325 15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.024 -14.525 17.845 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.717 -15.438 18.606 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.061 -17.221 15.701 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.453 -16.950 17.402 1.00 0.00 H new ATOM 694 N CYS A 48 7.243 -14.091 15.072 1.00 0.00 N ATOM 695 CA CYS A 48 8.580 -13.744 15.623 1.00 0.00 C ATOM 696 C CYS A 48 8.761 -12.230 15.471 1.00 0.00 C ATOM 697 O CYS A 48 8.476 -11.666 14.432 1.00 0.00 O ATOM 698 CB CYS A 48 9.672 -14.492 14.849 1.00 0.00 C ATOM 699 SG CYS A 48 10.447 -13.381 13.648 1.00 0.00 S ATOM 0 H CYS A 48 6.759 -13.309 14.631 1.00 0.00 H new ATOM 0 HA CYS A 48 8.654 -14.031 16.672 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.423 -14.875 15.540 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.242 -15.353 14.337 1.00 0.00 H new ATOM 704 N ARG A 49 9.196 -11.557 16.499 1.00 0.00 N ATOM 705 CA ARG A 49 9.352 -10.075 16.401 1.00 0.00 C ATOM 706 C ARG A 49 10.340 -9.713 15.290 1.00 0.00 C ATOM 707 O ARG A 49 11.120 -10.530 14.841 1.00 0.00 O ATOM 708 CB ARG A 49 9.857 -9.520 17.733 1.00 0.00 C ATOM 709 CG ARG A 49 8.784 -9.710 18.810 1.00 0.00 C ATOM 710 CD ARG A 49 7.424 -9.265 18.266 1.00 0.00 C ATOM 711 NE ARG A 49 6.641 -8.616 19.355 1.00 0.00 N ATOM 712 CZ ARG A 49 5.420 -8.215 19.128 1.00 0.00 C ATOM 713 NH1 ARG A 49 5.029 -7.979 17.906 1.00 0.00 N ATOM 714 NH2 ARG A 49 4.590 -8.052 20.122 1.00 0.00 N ATOM 0 H ARG A 49 9.450 -11.964 17.399 1.00 0.00 H new ATOM 0 HA ARG A 49 8.382 -9.638 16.166 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.775 -10.030 18.026 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.099 -8.462 17.629 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.741 -10.756 19.114 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.039 -9.131 19.697 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.562 -8.569 17.438 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.879 -10.123 17.874 1.00 0.00 H new ATOM 0 HE ARG A 49 7.059 -8.485 20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.677 -8.108 17.129 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.075 -7.666 17.727 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.895 -8.238 21.077 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.636 -7.739 19.944 1.00 0.00 H new ATOM 728 N VAL A 50 10.306 -8.485 14.846 1.00 0.00 N ATOM 729 CA VAL A 50 11.232 -8.044 13.764 1.00 0.00 C ATOM 730 C VAL A 50 11.676 -6.600 14.053 1.00 0.00 C ATOM 731 O VAL A 50 10.856 -5.755 14.349 1.00 0.00 O ATOM 732 CB VAL A 50 10.499 -8.114 12.420 1.00 0.00 C ATOM 733 CG1 VAL A 50 11.373 -8.850 11.400 1.00 0.00 C ATOM 734 CG2 VAL A 50 9.186 -8.880 12.601 1.00 0.00 C ATOM 0 H VAL A 50 9.672 -7.764 15.189 1.00 0.00 H new ATOM 0 HA VAL A 50 12.109 -8.690 13.724 1.00 0.00 H new ATOM 0 HB VAL A 50 10.293 -7.104 12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.852 -8.900 10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.314 -8.314 11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.576 -9.860 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.661 -8.932 11.647 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.399 -9.889 12.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.562 -8.365 13.331 1.00 0.00 H new ATOM 744 N PRO A 51 12.967 -6.365 13.982 1.00 0.00 N ATOM 745 CA PRO A 51 13.555 -5.037 14.259 1.00 0.00 C ATOM 746 C PRO A 51 13.405 -4.078 13.069 1.00 0.00 C ATOM 747 O PRO A 51 14.272 -3.265 12.816 1.00 0.00 O ATOM 748 CB PRO A 51 15.032 -5.348 14.509 1.00 0.00 C ATOM 749 CG PRO A 51 15.319 -6.702 13.819 1.00 0.00 C ATOM 750 CD PRO A 51 13.959 -7.398 13.624 1.00 0.00 C ATOM 0 HA PRO A 51 13.064 -4.538 15.094 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.668 -4.562 14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.241 -5.405 15.577 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.817 -6.550 12.861 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.983 -7.314 14.430 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.829 -7.736 12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.867 -8.277 14.262 1.00 0.00 H new ATOM 758 N CYS A 52 12.316 -4.150 12.351 1.00 0.00 N ATOM 759 CA CYS A 52 12.115 -3.227 11.193 1.00 0.00 C ATOM 760 C CYS A 52 13.434 -3.030 10.440 1.00 0.00 C ATOM 761 O CYS A 52 13.937 -1.930 10.326 1.00 0.00 O ATOM 762 CB CYS A 52 11.612 -1.876 11.707 1.00 0.00 C ATOM 763 SG CYS A 52 9.978 -2.089 12.456 1.00 0.00 S ATOM 0 H CYS A 52 11.555 -4.809 12.516 1.00 0.00 H new ATOM 0 HA CYS A 52 11.382 -3.660 10.513 1.00 0.00 H new ATOM 0 HB2 CYS A 52 12.310 -1.470 12.439 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.558 -1.160 10.887 1.00 0.00 H new ATOM 768 N ASN A 53 13.996 -4.088 9.922 1.00 0.00 N ATOM 769 CA ASN A 53 15.280 -3.963 9.175 1.00 0.00 C ATOM 770 C ASN A 53 14.983 -3.779 7.686 1.00 0.00 C ATOM 771 O ASN A 53 15.715 -4.242 6.837 1.00 0.00 O ATOM 772 CB ASN A 53 16.107 -5.237 9.370 1.00 0.00 C ATOM 773 CG ASN A 53 17.261 -4.962 10.338 1.00 0.00 C ATOM 774 OD1 ASN A 53 17.934 -3.849 10.235 1.00 0.00 O flip ATOM 775 ND2 ASN A 53 17.554 -5.771 11.195 1.00 0.00 N flip ATOM 0 H ASN A 53 13.621 -5.035 9.984 1.00 0.00 H new ATOM 0 HA ASN A 53 15.837 -3.103 9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.476 -6.036 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 53 16.498 -5.578 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.028 -6.641 11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 53 18.326 -5.580 11.834 1.00 0.00 H new ATOM 782 N TRP A 54 13.908 -3.115 7.362 1.00 0.00 N ATOM 783 CA TRP A 54 13.562 -2.913 5.927 1.00 0.00 C ATOM 784 C TRP A 54 14.810 -2.499 5.138 1.00 0.00 C ATOM 785 O TRP A 54 14.984 -2.880 3.998 1.00 0.00 O ATOM 786 CB TRP A 54 12.494 -1.824 5.809 1.00 0.00 C ATOM 787 CG TRP A 54 13.106 -0.491 6.084 1.00 0.00 C ATOM 788 CD1 TRP A 54 13.455 -0.037 7.309 1.00 0.00 C ATOM 789 CD2 TRP A 54 13.447 0.564 5.141 1.00 0.00 C ATOM 790 NE1 TRP A 54 13.988 1.233 7.178 1.00 0.00 N ATOM 791 CE2 TRP A 54 14.005 1.648 5.860 1.00 0.00 C ATOM 792 CE3 TRP A 54 13.327 0.687 3.743 1.00 0.00 C ATOM 793 CZ2 TRP A 54 14.428 2.812 5.217 1.00 0.00 C ATOM 794 CZ3 TRP A 54 13.752 1.856 3.093 1.00 0.00 C ATOM 795 CH2 TRP A 54 14.302 2.918 3.828 1.00 0.00 C ATOM 0 H TRP A 54 13.255 -2.704 8.029 1.00 0.00 H new ATOM 0 HA TRP A 54 13.178 -3.847 5.517 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.057 -1.836 4.811 1.00 0.00 H new ATOM 0 HB3 TRP A 54 11.685 -2.016 6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 54 13.337 -0.577 8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.327 1.795 7.959 1.00 0.00 H new ATOM 0 HE3 TRP A 54 12.905 -0.124 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 14.850 3.626 5.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 13.655 1.939 2.021 1.00 0.00 H new ATOM 0 HH2 TRP A 54 14.627 3.815 3.322 1.00 0.00 H new ATOM 806 N LYS A 55 15.678 -1.717 5.724 1.00 0.00 N ATOM 807 CA LYS A 55 16.901 -1.285 4.987 1.00 0.00 C ATOM 808 C LYS A 55 18.134 -1.990 5.547 1.00 0.00 C ATOM 809 O LYS A 55 19.210 -1.913 4.988 1.00 0.00 O ATOM 810 CB LYS A 55 17.078 0.226 5.137 1.00 0.00 C ATOM 811 CG LYS A 55 17.512 0.819 3.798 1.00 0.00 C ATOM 812 CD LYS A 55 18.975 1.270 3.882 1.00 0.00 C ATOM 813 CE LYS A 55 19.846 0.381 2.993 1.00 0.00 C ATOM 814 NZ LYS A 55 20.984 1.184 2.465 1.00 0.00 N ATOM 0 H LYS A 55 15.594 -1.361 6.676 1.00 0.00 H new ATOM 0 HA LYS A 55 16.787 -1.545 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.144 0.682 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.824 0.442 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.395 0.079 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.875 1.665 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.063 2.310 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.322 1.218 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.219 -0.470 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.256 -0.021 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.580 0.585 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 20.617 1.982 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.550 1.547 3.258 1.00 0.00 H new ATOM 828 N LYS A 56 17.990 -2.658 6.655 1.00 0.00 N ATOM 829 CA LYS A 56 19.153 -3.362 7.279 1.00 0.00 C ATOM 830 C LYS A 56 20.197 -2.337 7.749 1.00 0.00 C ATOM 831 O LYS A 56 21.240 -2.704 8.253 1.00 0.00 O ATOM 832 CB LYS A 56 19.797 -4.314 6.260 1.00 0.00 C ATOM 833 CG LYS A 56 19.002 -5.621 6.199 1.00 0.00 C ATOM 834 CD LYS A 56 17.800 -5.439 5.272 1.00 0.00 C ATOM 835 CE LYS A 56 17.881 -6.442 4.119 1.00 0.00 C ATOM 836 NZ LYS A 56 19.222 -6.358 3.473 1.00 0.00 N ATOM 0 H LYS A 56 17.110 -2.750 7.163 1.00 0.00 H new ATOM 0 HA LYS A 56 18.798 -3.935 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.821 -3.846 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.830 -4.518 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.637 -6.429 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 56 18.667 -5.903 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.874 -5.584 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 56 17.781 -4.422 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.708 -7.452 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.100 -6.233 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.121 -6.489 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.641 -5.426 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.840 -7.101 3.858 1.00 0.00 H new ATOM 850 N GLU A 57 19.911 -1.062 7.593 1.00 0.00 N ATOM 851 CA GLU A 57 20.861 0.015 8.022 1.00 0.00 C ATOM 852 C GLU A 57 20.704 1.217 7.087 1.00 0.00 C ATOM 853 O GLU A 57 21.298 1.269 6.029 1.00 0.00 O ATOM 854 CB GLU A 57 22.312 -0.472 7.950 1.00 0.00 C ATOM 855 CG GLU A 57 22.760 -0.941 9.336 1.00 0.00 C ATOM 856 CD GLU A 57 23.963 -1.876 9.197 1.00 0.00 C ATOM 857 OE1 GLU A 57 23.749 -3.058 8.985 1.00 0.00 O ATOM 858 OE2 GLU A 57 25.078 -1.393 9.307 1.00 0.00 O ATOM 0 H GLU A 57 19.044 -0.719 7.179 1.00 0.00 H new ATOM 0 HA GLU A 57 20.631 0.289 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.398 -1.288 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.960 0.331 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.023 -0.083 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.942 -1.457 9.839 1.00 0.00 H new ATOM 865 N PHE A 58 19.912 2.184 7.464 1.00 0.00 N ATOM 866 CA PHE A 58 19.728 3.378 6.587 1.00 0.00 C ATOM 867 C PHE A 58 20.971 4.270 6.674 1.00 0.00 C ATOM 868 O PHE A 58 20.991 5.252 7.388 1.00 0.00 O ATOM 869 CB PHE A 58 18.497 4.170 7.043 1.00 0.00 C ATOM 870 CG PHE A 58 17.882 4.870 5.853 1.00 0.00 C ATOM 871 CD1 PHE A 58 17.592 4.146 4.693 1.00 0.00 C ATOM 872 CD2 PHE A 58 17.605 6.242 5.907 1.00 0.00 C ATOM 873 CE1 PHE A 58 17.027 4.787 3.585 1.00 0.00 C ATOM 874 CE2 PHE A 58 17.039 6.885 4.799 1.00 0.00 C ATOM 875 CZ PHE A 58 16.751 6.157 3.637 1.00 0.00 C ATOM 0 H PHE A 58 19.386 2.200 8.338 1.00 0.00 H new ATOM 0 HA PHE A 58 19.584 3.051 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.769 3.500 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.781 4.900 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 58 17.805 3.088 4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 58 17.828 6.804 6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 58 16.804 4.224 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 58 16.824 7.943 4.840 1.00 0.00 H new ATOM 0 HZ PHE A 58 16.316 6.653 2.782 1.00 0.00 H new ATOM 885 N GLY A 59 22.006 3.937 5.949 1.00 0.00 N ATOM 886 CA GLY A 59 23.245 4.768 5.991 1.00 0.00 C ATOM 887 C GLY A 59 24.155 4.285 7.121 1.00 0.00 C ATOM 888 O GLY A 59 24.182 3.090 7.365 1.00 0.00 O ATOM 889 OXT GLY A 59 24.813 5.119 7.722 1.00 0.00 O ATOM 0 H GLY A 59 22.047 3.127 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.769 4.704 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.986 5.816 6.143 1.00 0.00 H new TER 893 GLY A 59 CONECT 229 557 CONECT 343 699 CONECT 437 763 CONECT 557 229 CONECT 699 343 CONECT 763 437 END