USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) HEADER COMPLEMENT FACTOR 13-DEC-93 1ERG TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE EXTRACELLULAR TITLE 2 REGION OF THE COMPLEMENT REGULATORY PROTEIN, CD59, A NEW TITLE 3 CELL SURFACE PROTEIN DOMAIN RELATED TO NEUROTOXINS COMPND MOL_ID: 1; COMPND 2 MOLECULE: CD59; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS COMPLEMENT FACTOR EXPDTA SOLUTION NMR AUTHOR B.KIEFFER,P.C.DRISCOLL,I.D.CAMPBELL,A.C.WILLIS,P.A.VAN DER AUTHOR 2 MERWE,S.J.DAVIS REVDAT 2 24-FEB-09 1ERG 1 VERSN REVDAT 1 30-APR-94 1ERG 0 JRNL AUTH B.KIEFFER,P.C.DRISCOLL,I.D.CAMPBELL,A.C.WILLIS, JRNL AUTH 2 P.A.VAN DER MERWE,S.J.DAVIS JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE JRNL TITL 2 EXTRACELLULAR REGION OF THE COMPLEMENT REGULATORY JRNL TITL 3 PROTEIN CD59, A NEW CELL-SURFACE PROTEIN DOMAIN JRNL TITL 4 RELATED TO SNAKE VENOM NEUROTOXINS. JRNL REF BIOCHEMISTRY V. 33 4471 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 7512825 JRNL DOI 10.1021/BI00181A006 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ERG 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 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 PRO A 9 86.80 -56.88 REMARK 500 LYS A 14 32.02 -152.86 REMARK 500 THR A 15 149.04 -32.58 REMARK 500 SER A 20 -99.38 -118.28 REMARK 500 SER A 21 -75.60 73.61 REMARK 500 PHE A 42 -52.18 -17.63 REMARK 500 GLU A 43 39.44 -78.66 REMARK 500 CYS A 45 53.27 -90.77 REMARK 500 ASN A 46 -84.97 -77.34 REMARK 500 PHE A 47 -94.44 -122.59 REMARK 500 ARG A 55 108.39 77.79 REMARK 500 ASN A 57 -96.81 160.25 REMARK 500 LEU A 59 -152.57 -73.76 REMARK 500 THR A 60 72.03 -161.22 REMARK 500 LYS A 65 58.00 -150.84 REMARK 500 LYS A 66 -44.04 -143.95 REMARK 500 ASP A 67 -163.49 -174.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: PYB REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ERH RELATED DB: PDB DBREF 1ERG A 1 70 UNP P13987 CD59_HUMAN 26 95 SEQRES 1 A 70 LEU GLN CYS TYR ASN CYS PRO ASN PRO THR ALA ASP CYS SEQRES 2 A 70 LYS THR ALA VAL ASN CYS SER SER ASP PHE ASP ALA CYS SEQRES 3 A 70 LEU ILE THR LYS ALA GLY LEU GLN VAL TYR ASN LYS CYS SEQRES 4 A 70 TRP LYS PHE GLU HIS CYS ASN PHE ASN ASP VAL THR THR SEQRES 5 A 70 ARG LEU ARG GLU ASN GLU LEU THR TYR TYR CYS CYS LYS SEQRES 6 A 70 LYS ASP LEU CYS ASN HELIX 1 H1 PHE A 47 LEU A 54 11/5 NOT WELL-DEFINED BY NMR 8 SHEET 1 B1 2 CYS A 3 ASN A 5 0 SHEET 2 B1 2 THR A 15 VAL A 17 -1 O VAL A 17 N CYS A 3 SHEET 1 B2 3 TYR A 36 TRP A 40 0 SHEET 2 B2 3 ALA A 25 LYS A 30 -1 N ALA A 25 O TRP A 40 SHEET 3 B2 3 TYR A 62 CYS A 64 -1 O CYS A 64 N CYS A 26 SSBOND *** CYS A 3 CYS A 26 1555 1555 2.02 SSBOND *** CYS A 6 CYS A 13 1555 1555 2.03 SSBOND *** CYS A 19 CYS A 39 1555 1555 2.02 SSBOND *** CYS A 45 CYS A 63 1555 1555 2.02 SSBOND *** CYS A 64 CYS A 69 1555 1555 2.02 SITE *** PYB 3 THR A 29 PHE A 47 CYS A 69 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 LEU N :NH3+ 164:sc= 0 (180deg=-0.0294) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.9! C(o=-6.2!,f=-1.9!) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0762 F(o=-0.67,f=-0.076) USER MOD Single : A 10 THR OG1 : rot -18:sc= -2.52! USER MOD Single : A 14 LYS NZ :NH3+ -134:sc= -0.729 (180deg=-1.88!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 18 ASN : amide:sc= -0.0926 K(o=-0.093,f=-0.95) USER MOD Single : A 20 SER OG : rot 140:sc= -0.0462 USER MOD Single : A 21 SER OG : rot -68:sc= 0.00823 USER MOD Single : A 29 THR OG1 : rot 151:sc= -3.61! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.88 K(o=-1.9,f=-4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -12.6! C(o=-13!,f=-17!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.97! C(o=-2!,f=-4.9!) USER MOD Single : A 46 ASN : amide:sc= 0.034 X(o=0.034,f=-0.011) USER MOD Single : A 48 ASN :FLIP amide:sc= -4.78! C(o=-6.3!,f=-4.8!) USER MOD Single : A 51 THR OG1 : rot -78:sc= 0.487 USER MOD Single : A 52 THR OG1 : rot 18:sc= -0.428 USER MOD Single : A 57 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 61 TYR OH : rot -159:sc= -3.56! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.88) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 40.760 -3.980 5.048 1.00 1.33 N ATOM 2 CA LEU A 1 42.187 -3.806 4.653 1.00 1.05 C ATOM 3 C LEU A 1 42.484 -2.321 4.443 1.00 0.96 C ATOM 4 O LEU A 1 42.442 -1.823 3.336 1.00 1.01 O ATOM 5 CB LEU A 1 42.456 -4.562 3.349 1.00 1.05 C ATOM 6 CG LEU A 1 43.281 -5.815 3.646 1.00 1.25 C ATOM 7 CD1 LEU A 1 44.705 -5.409 4.030 1.00 1.33 C ATOM 8 CD2 LEU A 1 42.643 -6.582 4.806 1.00 2.15 C ATOM 0 H1 LEU A 1 40.486 -4.976 4.928 1.00 1.33 H new ATOM 0 H2 LEU A 1 40.639 -3.705 6.044 1.00 1.33 H new ATOM 0 H3 LEU A 1 40.158 -3.381 4.448 1.00 1.33 H new ATOM 0 HA LEU A 1 42.827 -4.199 5.443 1.00 1.05 H new ATOM 0 HB2 LEU A 1 41.514 -4.838 2.875 1.00 1.05 H new ATOM 0 HB3 LEU A 1 42.989 -3.920 2.648 1.00 1.05 H new ATOM 0 HG LEU A 1 43.309 -6.449 2.760 1.00 1.25 H new ATOM 0 HD11 LEU A 1 45.293 -6.302 4.242 1.00 1.33 H new ATOM 0 HD12 LEU A 1 45.162 -4.861 3.206 1.00 1.33 H new ATOM 0 HD13 LEU A 1 44.676 -4.775 4.916 1.00 1.33 H new ATOM 0 HD21 LEU A 1 43.230 -7.475 5.018 1.00 2.15 H new ATOM 0 HD22 LEU A 1 42.616 -5.947 5.691 1.00 2.15 H new ATOM 0 HD23 LEU A 1 41.627 -6.871 4.536 1.00 2.15 H new ATOM 22 N GLN A 2 42.792 -1.610 5.491 1.00 0.95 N ATOM 23 CA GLN A 2 43.098 -0.163 5.334 1.00 0.90 C ATOM 24 C GLN A 2 44.608 0.021 5.220 1.00 0.82 C ATOM 25 O GLN A 2 45.340 -0.920 4.987 1.00 0.97 O ATOM 26 CB GLN A 2 42.593 0.607 6.550 1.00 1.06 C ATOM 27 CG GLN A 2 41.076 0.460 6.660 1.00 1.37 C ATOM 28 CD GLN A 2 40.602 1.064 7.984 1.00 1.72 C ATOM 29 OE1 GLN A 2 41.406 1.417 8.824 1.00 2.34 O ATOM 30 NE2 GLN A 2 39.324 1.197 8.210 1.00 1.93 N ATOM 0 H GLN A 2 42.845 -1.967 6.445 1.00 0.95 H new ATOM 0 HA GLN A 2 42.607 0.214 4.437 1.00 0.90 H new ATOM 0 HB2 GLN A 2 43.071 0.231 7.455 1.00 1.06 H new ATOM 0 HB3 GLN A 2 42.860 1.660 6.462 1.00 1.06 H new ATOM 0 HG2 GLN A 2 40.589 0.962 5.824 1.00 1.37 H new ATOM 0 HG3 GLN A 2 40.797 -0.592 6.607 1.00 1.37 H new ATOM 0 HE21 GLN A 2 38.648 0.901 7.506 1.00 1.93 H new ATOM 0 HE22 GLN A 2 39.001 1.597 9.091 1.00 1.93 H new ATOM 39 N CYS A 3 45.080 1.225 5.382 1.00 0.81 N ATOM 40 CA CYS A 3 46.543 1.469 5.282 1.00 0.83 C ATOM 41 C CYS A 3 46.889 2.815 5.919 1.00 0.95 C ATOM 42 O CYS A 3 46.372 3.845 5.539 1.00 0.79 O ATOM 43 CB CYS A 3 46.950 1.503 3.808 1.00 0.80 C ATOM 44 SG CYS A 3 47.286 -0.174 3.226 1.00 1.22 S ATOM 0 H CYS A 3 44.514 2.051 5.579 1.00 0.81 H new ATOM 0 HA CYS A 3 47.074 0.671 5.800 1.00 0.83 H new ATOM 0 HB2 CYS A 3 46.155 1.952 3.212 1.00 0.80 H new ATOM 0 HB3 CYS A 3 47.835 2.126 3.680 1.00 0.80 H new ATOM 49 N TYR A 4 47.787 2.820 6.861 1.00 1.46 N ATOM 50 CA TYR A 4 48.196 4.104 7.493 1.00 1.74 C ATOM 51 C TYR A 4 49.359 4.653 6.674 1.00 2.05 C ATOM 52 O TYR A 4 50.510 4.385 6.958 1.00 2.55 O ATOM 53 CB TYR A 4 48.655 3.836 8.924 1.00 2.38 C ATOM 54 CG TYR A 4 47.700 4.477 9.896 1.00 2.04 C ATOM 55 CD1 TYR A 4 47.769 5.852 10.147 1.00 1.53 C ATOM 56 CD2 TYR A 4 46.747 3.692 10.552 1.00 2.79 C ATOM 57 CE1 TYR A 4 46.881 6.441 11.054 1.00 1.48 C ATOM 58 CE2 TYR A 4 45.860 4.279 11.457 1.00 2.80 C ATOM 59 CZ TYR A 4 45.926 5.654 11.710 1.00 2.02 C ATOM 60 OH TYR A 4 45.048 6.233 12.604 1.00 2.31 O ATOM 0 H TYR A 4 48.257 1.990 7.222 1.00 1.46 H new ATOM 0 HA TYR A 4 47.370 4.814 7.519 1.00 1.74 H new ATOM 0 HB2 TYR A 4 48.705 2.762 9.104 1.00 2.38 H new ATOM 0 HB3 TYR A 4 49.660 4.231 9.073 1.00 2.38 H new ATOM 0 HD1 TYR A 4 48.507 6.458 9.641 1.00 1.53 H new ATOM 0 HD2 TYR A 4 46.697 2.631 10.359 1.00 2.79 H new ATOM 0 HE1 TYR A 4 46.932 7.502 11.248 1.00 1.48 H new ATOM 0 HE2 TYR A 4 45.123 3.672 11.962 1.00 2.80 H new ATOM 0 HH TYR A 4 44.452 5.546 12.968 1.00 2.31 H new ATOM 70 N ASN A 5 49.074 5.375 5.626 1.00 1.98 N ATOM 71 CA ASN A 5 50.178 5.874 4.767 1.00 2.56 C ATOM 72 C ASN A 5 49.813 7.196 4.096 1.00 2.71 C ATOM 73 O ASN A 5 48.788 7.794 4.357 1.00 2.57 O ATOM 74 CB ASN A 5 50.443 4.838 3.678 1.00 2.78 C ATOM 75 CG ASN A 5 49.186 4.681 2.818 1.00 2.33 C ATOM 76 OD1 ASN A 5 48.085 4.233 3.362 1.00 2.75 O flip ATOM 77 ND2 ASN A 5 49.204 4.973 1.638 1.00 1.83 N flip ATOM 0 H ASN A 5 48.134 5.638 5.331 1.00 1.98 H new ATOM 0 HA ASN A 5 51.057 6.036 5.391 1.00 2.56 H new ATOM 0 HB2 ASN A 5 51.285 5.150 3.060 1.00 2.78 H new ATOM 0 HB3 ASN A 5 50.713 3.882 4.126 1.00 2.78 H new ATOM 0 HD21 ASN A 5 50.062 5.323 1.212 1.00 1.83 H new ATOM 0 HD22 ASN A 5 48.361 4.868 1.074 1.00 1.83 H new ATOM 84 N CYS A 6 50.672 7.638 3.222 1.00 3.49 N ATOM 85 CA CYS A 6 50.449 8.908 2.489 1.00 3.81 C ATOM 86 C CYS A 6 51.012 8.719 1.069 1.00 4.26 C ATOM 87 O CYS A 6 52.054 8.115 0.901 1.00 3.89 O ATOM 88 CB CYS A 6 51.186 10.021 3.228 1.00 3.96 C ATOM 89 SG CYS A 6 50.338 11.607 2.998 1.00 4.03 S ATOM 0 H CYS A 6 51.539 7.158 2.981 1.00 3.49 H new ATOM 0 HA CYS A 6 49.393 9.172 2.430 1.00 3.81 H new ATOM 0 HB2 CYS A 6 51.244 9.784 4.290 1.00 3.96 H new ATOM 0 HB3 CYS A 6 52.210 10.093 2.861 1.00 3.96 H new ATOM 94 N PRO A 7 50.281 9.181 0.087 1.00 5.27 N ATOM 95 CA PRO A 7 50.660 9.008 -1.332 1.00 5.95 C ATOM 96 C PRO A 7 52.039 9.578 -1.694 1.00 5.53 C ATOM 97 O PRO A 7 52.883 8.868 -2.204 1.00 5.87 O ATOM 98 CB PRO A 7 49.554 9.713 -2.125 1.00 7.16 C ATOM 99 CG PRO A 7 48.502 10.227 -1.110 1.00 7.21 C ATOM 100 CD PRO A 7 49.019 9.910 0.303 1.00 6.00 C ATOM 0 HA PRO A 7 50.749 7.947 -1.563 1.00 5.95 H new ATOM 0 HB2 PRO A 7 49.965 10.541 -2.702 1.00 7.16 H new ATOM 0 HB3 PRO A 7 49.096 9.026 -2.836 1.00 7.16 H new ATOM 0 HG2 PRO A 7 48.348 11.300 -1.229 1.00 7.21 H new ATOM 0 HG3 PRO A 7 47.539 9.746 -1.281 1.00 7.21 H new ATOM 0 HD2 PRO A 7 49.182 10.821 0.878 1.00 6.00 H new ATOM 0 HD3 PRO A 7 48.303 9.305 0.860 1.00 6.00 H new ATOM 108 N ASN A 8 52.280 10.837 -1.485 1.00 4.97 N ATOM 109 CA ASN A 8 53.602 11.395 -1.880 1.00 4.75 C ATOM 110 C ASN A 8 54.596 11.215 -0.733 1.00 3.68 C ATOM 111 O ASN A 8 54.217 10.801 0.341 1.00 3.20 O ATOM 112 CB ASN A 8 53.465 12.888 -2.222 1.00 5.22 C ATOM 113 CG ASN A 8 51.998 13.236 -2.491 1.00 6.15 C ATOM 114 OD1 ASN A 8 51.236 13.608 -1.499 1.00 6.36 O flip ATOM 115 ND2 ASN A 8 51.541 13.165 -3.614 1.00 6.96 N flip ATOM 0 H ASN A 8 51.629 11.499 -1.063 1.00 4.97 H new ATOM 0 HA ASN A 8 53.965 10.864 -2.760 1.00 4.75 H new ATOM 0 HB2 ASN A 8 53.845 13.493 -1.399 1.00 5.22 H new ATOM 0 HB3 ASN A 8 54.069 13.125 -3.098 1.00 5.22 H new ATOM 0 HD21 ASN A 8 52.136 12.874 -4.389 1.00 6.96 H new ATOM 0 HD22 ASN A 8 50.562 13.396 -3.782 1.00 6.96 H new ATOM 122 N PRO A 9 55.843 11.527 -0.991 1.00 3.52 N ATOM 123 CA PRO A 9 56.897 11.402 0.026 1.00 2.80 C ATOM 124 C PRO A 9 56.505 12.234 1.241 1.00 2.48 C ATOM 125 O PRO A 9 56.854 13.393 1.358 1.00 3.20 O ATOM 126 CB PRO A 9 58.161 11.954 -0.644 1.00 3.26 C ATOM 127 CG PRO A 9 57.799 12.294 -2.113 1.00 4.08 C ATOM 128 CD PRO A 9 56.296 12.028 -2.298 1.00 4.28 C ATOM 0 HA PRO A 9 57.052 10.379 0.368 1.00 2.80 H new ATOM 0 HB2 PRO A 9 58.515 12.842 -0.121 1.00 3.26 H new ATOM 0 HB3 PRO A 9 58.966 11.220 -0.607 1.00 3.26 H new ATOM 0 HG2 PRO A 9 58.033 13.336 -2.333 1.00 4.08 H new ATOM 0 HG3 PRO A 9 58.383 11.684 -2.802 1.00 4.08 H new ATOM 0 HD2 PRO A 9 55.765 12.937 -2.580 1.00 4.28 H new ATOM 0 HD3 PRO A 9 56.117 11.297 -3.086 1.00 4.28 H new ATOM 136 N THR A 10 55.754 11.657 2.133 1.00 1.66 N ATOM 137 CA THR A 10 55.304 12.413 3.324 1.00 1.59 C ATOM 138 C THR A 10 55.976 11.879 4.583 1.00 1.39 C ATOM 139 O THR A 10 55.837 10.725 4.935 1.00 1.54 O ATOM 140 CB THR A 10 53.795 12.251 3.474 1.00 1.68 C ATOM 141 OG1 THR A 10 53.526 11.006 4.103 1.00 1.64 O ATOM 142 CG2 THR A 10 53.121 12.294 2.095 1.00 2.17 C ATOM 0 H THR A 10 55.433 10.690 2.086 1.00 1.66 H new ATOM 0 HA THR A 10 55.569 13.462 3.194 1.00 1.59 H new ATOM 0 HB THR A 10 53.399 13.065 4.081 1.00 1.68 H new ATOM 0 HG1 THR A 10 54.313 10.426 4.031 1.00 1.64 H new ATOM 0 HG21 THR A 10 52.044 12.177 2.213 1.00 2.17 H new ATOM 0 HG22 THR A 10 53.332 13.250 1.616 1.00 2.17 H new ATOM 0 HG23 THR A 10 53.508 11.485 1.476 1.00 2.17 H new ATOM 150 N ALA A 11 56.674 12.722 5.284 1.00 1.79 N ATOM 151 CA ALA A 11 57.323 12.281 6.543 1.00 2.24 C ATOM 152 C ALA A 11 56.371 12.597 7.697 1.00 2.16 C ATOM 153 O ALA A 11 56.501 12.080 8.789 1.00 2.58 O ATOM 154 CB ALA A 11 58.638 13.037 6.736 1.00 3.05 C ATOM 0 H ALA A 11 56.823 13.701 5.038 1.00 1.79 H new ATOM 0 HA ALA A 11 57.537 11.213 6.508 1.00 2.24 H new ATOM 0 HB1 ALA A 11 59.113 12.711 7.662 1.00 3.05 H new ATOM 0 HB2 ALA A 11 59.302 12.832 5.896 1.00 3.05 H new ATOM 0 HB3 ALA A 11 58.438 14.107 6.788 1.00 3.05 H new ATOM 160 N ASP A 12 55.406 13.446 7.451 1.00 1.95 N ATOM 161 CA ASP A 12 54.428 13.810 8.511 1.00 2.23 C ATOM 162 C ASP A 12 53.015 13.526 8.011 1.00 2.12 C ATOM 163 O ASP A 12 52.140 14.366 8.085 1.00 2.85 O ATOM 164 CB ASP A 12 54.547 15.299 8.820 1.00 2.80 C ATOM 165 CG ASP A 12 55.221 15.489 10.179 1.00 3.50 C ATOM 166 OD1 ASP A 12 54.884 14.752 11.092 1.00 3.78 O ATOM 167 OD2 ASP A 12 56.063 16.364 10.284 1.00 4.07 O ATOM 0 H ASP A 12 55.256 13.905 6.552 1.00 1.95 H new ATOM 0 HA ASP A 12 54.632 13.226 9.408 1.00 2.23 H new ATOM 0 HB2 ASP A 12 55.127 15.797 8.043 1.00 2.80 H new ATOM 0 HB3 ASP A 12 53.559 15.760 8.825 1.00 2.80 H new ATOM 172 N CYS A 13 52.780 12.354 7.499 1.00 1.64 N ATOM 173 CA CYS A 13 51.419 12.035 6.997 1.00 1.85 C ATOM 174 C CYS A 13 51.302 10.535 6.743 1.00 1.56 C ATOM 175 O CYS A 13 52.124 9.933 6.082 1.00 1.88 O ATOM 176 CB CYS A 13 51.159 12.800 5.694 1.00 2.58 C ATOM 177 SG CYS A 13 49.698 12.119 4.852 1.00 3.64 S ATOM 0 H CYS A 13 53.468 11.606 7.407 1.00 1.64 H new ATOM 0 HA CYS A 13 50.682 12.331 7.743 1.00 1.85 H new ATOM 0 HB2 CYS A 13 51.005 13.858 5.908 1.00 2.58 H new ATOM 0 HB3 CYS A 13 52.030 12.730 5.042 1.00 2.58 H new ATOM 182 N LYS A 14 50.274 9.941 7.265 1.00 1.53 N ATOM 183 CA LYS A 14 50.044 8.485 7.063 1.00 1.67 C ATOM 184 C LYS A 14 48.543 8.227 7.167 1.00 1.47 C ATOM 185 O LYS A 14 48.113 7.189 7.630 1.00 2.23 O ATOM 186 CB LYS A 14 50.779 7.655 8.121 1.00 2.28 C ATOM 187 CG LYS A 14 51.160 8.533 9.320 1.00 3.13 C ATOM 188 CD LYS A 14 52.610 9.011 9.169 1.00 3.75 C ATOM 189 CE LYS A 14 53.549 7.805 9.203 1.00 4.93 C ATOM 190 NZ LYS A 14 54.051 7.532 7.826 1.00 5.70 N ATOM 0 H LYS A 14 49.569 10.409 7.834 1.00 1.53 H new ATOM 0 HA LYS A 14 50.426 8.192 6.085 1.00 1.67 H new ATOM 0 HB2 LYS A 14 50.145 6.832 8.452 1.00 2.28 H new ATOM 0 HB3 LYS A 14 51.675 7.212 7.687 1.00 2.28 H new ATOM 0 HG2 LYS A 14 50.489 9.390 9.384 1.00 3.13 H new ATOM 0 HG3 LYS A 14 51.047 7.970 10.246 1.00 3.13 H new ATOM 0 HD2 LYS A 14 52.730 9.553 8.231 1.00 3.75 H new ATOM 0 HD3 LYS A 14 52.861 9.704 9.972 1.00 3.75 H new ATOM 0 HE2 LYS A 14 54.385 7.999 9.875 1.00 4.93 H new ATOM 0 HE3 LYS A 14 53.024 6.932 9.591 1.00 4.93 H new ATOM 0 HZ1 LYS A 14 53.983 6.513 7.627 1.00 5.70 H new ATOM 0 HZ2 LYS A 14 53.477 8.058 7.137 1.00 5.70 H new ATOM 0 HZ3 LYS A 14 55.044 7.834 7.752 1.00 5.70 H new ATOM 204 N THR A 15 47.752 9.188 6.760 1.00 1.24 N ATOM 205 CA THR A 15 46.266 9.055 6.842 1.00 1.60 C ATOM 206 C THR A 15 45.838 7.603 6.645 1.00 1.31 C ATOM 207 O THR A 15 46.475 6.842 5.943 1.00 1.19 O ATOM 208 CB THR A 15 45.617 9.925 5.762 1.00 2.18 C ATOM 209 OG1 THR A 15 46.515 10.076 4.672 1.00 2.48 O ATOM 210 CG2 THR A 15 45.280 11.299 6.344 1.00 2.57 C ATOM 0 H THR A 15 48.078 10.072 6.369 1.00 1.24 H new ATOM 0 HA THR A 15 45.943 9.382 7.831 1.00 1.60 H new ATOM 0 HB THR A 15 44.702 9.447 5.413 1.00 2.18 H new ATOM 0 HG1 THR A 15 46.099 10.632 3.980 1.00 2.48 H new ATOM 0 HG21 THR A 15 44.818 11.917 5.574 1.00 2.57 H new ATOM 0 HG22 THR A 15 44.588 11.181 7.178 1.00 2.57 H new ATOM 0 HG23 THR A 15 46.193 11.779 6.695 1.00 2.57 H new ATOM 218 N ALA A 16 44.758 7.215 7.266 1.00 1.25 N ATOM 219 CA ALA A 16 44.279 5.816 7.123 1.00 1.03 C ATOM 220 C ALA A 16 43.336 5.728 5.926 1.00 0.90 C ATOM 221 O ALA A 16 42.387 6.478 5.810 1.00 0.92 O ATOM 222 CB ALA A 16 43.533 5.396 8.391 1.00 1.17 C ATOM 0 H ALA A 16 44.187 7.810 7.867 1.00 1.25 H new ATOM 0 HA ALA A 16 45.131 5.153 6.970 1.00 1.03 H new ATOM 0 HB1 ALA A 16 43.183 4.369 8.284 1.00 1.17 H new ATOM 0 HB2 ALA A 16 44.204 5.463 9.247 1.00 1.17 H new ATOM 0 HB3 ALA A 16 42.680 6.056 8.547 1.00 1.17 H new ATOM 228 N VAL A 17 43.593 4.817 5.037 1.00 0.88 N ATOM 229 CA VAL A 17 42.721 4.667 3.842 1.00 0.93 C ATOM 230 C VAL A 17 42.519 3.181 3.576 1.00 0.85 C ATOM 231 O VAL A 17 42.834 2.348 4.398 1.00 0.91 O ATOM 232 CB VAL A 17 43.401 5.315 2.634 1.00 1.13 C ATOM 233 CG1 VAL A 17 43.122 6.820 2.629 1.00 1.66 C ATOM 234 CG2 VAL A 17 44.911 5.081 2.718 1.00 1.48 C ATOM 0 H VAL A 17 44.375 4.164 5.085 1.00 0.88 H new ATOM 0 HA VAL A 17 41.759 5.150 4.014 1.00 0.93 H new ATOM 0 HB VAL A 17 43.009 4.872 1.718 1.00 1.13 H new ATOM 0 HG11 VAL A 17 43.608 7.277 1.767 1.00 1.66 H new ATOM 0 HG12 VAL A 17 42.047 6.991 2.572 1.00 1.66 H new ATOM 0 HG13 VAL A 17 43.512 7.265 3.544 1.00 1.66 H new ATOM 0 HG21 VAL A 17 45.399 5.541 1.859 1.00 1.48 H new ATOM 0 HG22 VAL A 17 45.297 5.525 3.636 1.00 1.48 H new ATOM 0 HG23 VAL A 17 45.114 4.010 2.720 1.00 1.48 H new ATOM 244 N ASN A 18 42.003 2.833 2.440 1.00 0.89 N ATOM 245 CA ASN A 18 41.804 1.393 2.146 1.00 0.81 C ATOM 246 C ASN A 18 41.980 1.158 0.651 1.00 0.84 C ATOM 247 O ASN A 18 41.205 1.628 -0.159 1.00 1.30 O ATOM 248 CB ASN A 18 40.399 0.961 2.576 1.00 1.15 C ATOM 249 CG ASN A 18 39.443 2.153 2.499 1.00 1.83 C ATOM 250 OD1 ASN A 18 39.442 3.004 3.367 1.00 2.51 O ATOM 251 ND2 ASN A 18 38.623 2.250 1.489 1.00 2.49 N ATOM 0 H ASN A 18 41.711 3.477 1.705 1.00 0.89 H new ATOM 0 HA ASN A 18 42.538 0.806 2.698 1.00 0.81 H new ATOM 0 HB2 ASN A 18 40.043 0.156 1.933 1.00 1.15 H new ATOM 0 HB3 ASN A 18 40.425 0.569 3.593 1.00 1.15 H new ATOM 0 HD21 ASN A 18 37.981 3.040 1.428 1.00 2.49 H new ATOM 0 HD22 ASN A 18 38.624 1.536 0.761 1.00 2.49 H new ATOM 258 N CYS A 19 43.001 0.444 0.276 1.00 0.59 N ATOM 259 CA CYS A 19 43.225 0.195 -1.177 1.00 0.79 C ATOM 260 C CYS A 19 43.778 -1.212 -1.412 1.00 0.65 C ATOM 261 O CYS A 19 44.962 -1.394 -1.616 1.00 1.25 O ATOM 262 CB CYS A 19 44.223 1.220 -1.718 1.00 1.39 C ATOM 263 SG CYS A 19 45.618 1.363 -0.574 1.00 1.78 S ATOM 0 H CYS A 19 43.686 0.024 0.904 1.00 0.59 H new ATOM 0 HA CYS A 19 42.270 0.286 -1.694 1.00 0.79 H new ATOM 0 HB2 CYS A 19 44.576 0.915 -2.703 1.00 1.39 H new ATOM 0 HB3 CYS A 19 43.737 2.188 -1.839 1.00 1.39 H new ATOM 268 N SER A 20 42.932 -2.209 -1.416 1.00 0.73 N ATOM 269 CA SER A 20 43.424 -3.589 -1.675 1.00 0.99 C ATOM 270 C SER A 20 42.759 -4.126 -2.947 1.00 0.82 C ATOM 271 O SER A 20 43.187 -3.815 -4.036 1.00 1.43 O ATOM 272 CB SER A 20 43.116 -4.508 -0.488 1.00 1.69 C ATOM 273 OG SER A 20 42.100 -3.921 0.315 1.00 2.55 O ATOM 0 H SER A 20 41.929 -2.126 -1.252 1.00 0.73 H new ATOM 0 HA SER A 20 44.506 -3.564 -1.808 1.00 0.99 H new ATOM 0 HB2 SER A 20 42.792 -5.485 -0.846 1.00 1.69 H new ATOM 0 HB3 SER A 20 44.016 -4.668 0.105 1.00 1.69 H new ATOM 0 HG SER A 20 41.479 -4.616 0.616 1.00 2.55 H new ATOM 279 N SER A 21 41.727 -4.929 -2.818 1.00 0.94 N ATOM 280 CA SER A 21 41.046 -5.505 -4.016 1.00 1.30 C ATOM 281 C SER A 21 41.957 -6.585 -4.594 1.00 1.49 C ATOM 282 O SER A 21 41.740 -7.766 -4.414 1.00 2.16 O ATOM 283 CB SER A 21 40.789 -4.414 -5.059 1.00 1.48 C ATOM 284 OG SER A 21 39.955 -4.935 -6.087 1.00 2.31 O ATOM 0 H SER A 21 41.326 -5.210 -1.923 1.00 0.94 H new ATOM 0 HA SER A 21 40.083 -5.930 -3.735 1.00 1.30 H new ATOM 0 HB2 SER A 21 40.314 -3.552 -4.591 1.00 1.48 H new ATOM 0 HB3 SER A 21 41.733 -4.068 -5.481 1.00 1.48 H new ATOM 0 HG SER A 21 40.449 -5.609 -6.599 1.00 2.31 H new ATOM 290 N ASP A 22 42.994 -6.177 -5.258 1.00 1.18 N ATOM 291 CA ASP A 22 43.958 -7.133 -5.823 1.00 1.33 C ATOM 292 C ASP A 22 45.335 -6.833 -5.222 1.00 1.18 C ATOM 293 O ASP A 22 46.324 -7.442 -5.575 1.00 1.59 O ATOM 294 CB ASP A 22 44.014 -6.976 -7.343 1.00 1.51 C ATOM 295 CG ASP A 22 42.666 -6.469 -7.864 1.00 2.12 C ATOM 296 OD1 ASP A 22 41.701 -7.209 -7.767 1.00 2.76 O ATOM 297 OD2 ASP A 22 42.622 -5.350 -8.347 1.00 2.53 O ATOM 0 H ASP A 22 43.214 -5.197 -5.434 1.00 1.18 H new ATOM 0 HA ASP A 22 43.657 -8.154 -5.589 1.00 1.33 H new ATOM 0 HB2 ASP A 22 44.805 -6.278 -7.616 1.00 1.51 H new ATOM 0 HB3 ASP A 22 44.257 -7.932 -7.807 1.00 1.51 H new ATOM 302 N PHE A 23 45.405 -5.884 -4.314 1.00 0.83 N ATOM 303 CA PHE A 23 46.711 -5.540 -3.693 1.00 0.71 C ATOM 304 C PHE A 23 46.512 -5.107 -2.240 1.00 0.63 C ATOM 305 O PHE A 23 46.523 -3.936 -1.924 1.00 0.72 O ATOM 306 CB PHE A 23 47.360 -4.393 -4.469 1.00 0.88 C ATOM 307 CG PHE A 23 46.302 -3.429 -4.934 1.00 0.95 C ATOM 308 CD1 PHE A 23 45.898 -2.378 -4.101 1.00 1.41 C ATOM 309 CD2 PHE A 23 45.727 -3.586 -6.196 1.00 1.46 C ATOM 310 CE1 PHE A 23 44.914 -1.483 -4.535 1.00 1.89 C ATOM 311 CE2 PHE A 23 44.743 -2.691 -6.632 1.00 1.69 C ATOM 312 CZ PHE A 23 44.336 -1.639 -5.802 1.00 1.78 C ATOM 0 H PHE A 23 44.610 -5.338 -3.982 1.00 0.83 H new ATOM 0 HA PHE A 23 47.353 -6.421 -3.721 1.00 0.71 H new ATOM 0 HB2 PHE A 23 48.082 -3.877 -3.837 1.00 0.88 H new ATOM 0 HB3 PHE A 23 47.909 -4.786 -5.325 1.00 0.88 H new ATOM 0 HD1 PHE A 23 46.345 -2.259 -3.125 1.00 1.41 H new ATOM 0 HD2 PHE A 23 46.041 -4.397 -6.836 1.00 1.46 H new ATOM 0 HE1 PHE A 23 44.600 -0.672 -3.894 1.00 1.89 H new ATOM 0 HE2 PHE A 23 44.298 -2.812 -7.608 1.00 1.69 H new ATOM 0 HZ PHE A 23 43.577 -0.948 -6.138 1.00 1.78 H new ATOM 322 N ASP A 24 46.363 -6.041 -1.345 1.00 0.56 N ATOM 323 CA ASP A 24 46.193 -5.666 0.089 1.00 0.60 C ATOM 324 C ASP A 24 47.533 -5.758 0.784 1.00 0.54 C ATOM 325 O ASP A 24 47.627 -5.641 1.990 1.00 0.67 O ATOM 326 CB ASP A 24 45.221 -6.581 0.821 1.00 0.69 C ATOM 327 CG ASP A 24 44.426 -7.437 -0.173 1.00 0.71 C ATOM 328 OD1 ASP A 24 44.156 -6.959 -1.262 1.00 0.95 O ATOM 329 OD2 ASP A 24 44.097 -8.558 0.177 1.00 0.92 O ATOM 0 H ASP A 24 46.351 -7.042 -1.540 1.00 0.56 H new ATOM 0 HA ASP A 24 45.792 -4.653 0.112 1.00 0.60 H new ATOM 0 HB2 ASP A 24 45.769 -7.227 1.507 1.00 0.69 H new ATOM 0 HB3 ASP A 24 44.536 -5.984 1.423 1.00 0.69 H new ATOM 334 N ALA A 25 48.580 -5.919 0.042 1.00 0.50 N ATOM 335 CA ALA A 25 49.899 -5.959 0.687 1.00 0.52 C ATOM 336 C ALA A 25 50.263 -4.507 0.841 1.00 0.47 C ATOM 337 O ALA A 25 50.645 -3.832 -0.092 1.00 0.57 O ATOM 338 CB ALA A 25 50.918 -6.675 -0.198 1.00 0.65 C ATOM 0 H ALA A 25 48.577 -6.023 -0.973 1.00 0.50 H new ATOM 0 HA ALA A 25 49.888 -6.500 1.633 1.00 0.52 H new ATOM 0 HB1 ALA A 25 51.886 -6.691 0.302 1.00 0.65 H new ATOM 0 HB2 ALA A 25 50.587 -7.697 -0.381 1.00 0.65 H new ATOM 0 HB3 ALA A 25 51.009 -6.148 -1.148 1.00 0.65 H new ATOM 344 N CYS A 26 50.065 -4.014 2.010 1.00 0.45 N ATOM 345 CA CYS A 26 50.292 -2.587 2.265 1.00 0.51 C ATOM 346 C CYS A 26 51.780 -2.378 2.509 1.00 0.47 C ATOM 347 O CYS A 26 52.325 -2.735 3.531 1.00 0.50 O ATOM 348 CB CYS A 26 49.441 -2.240 3.482 1.00 0.66 C ATOM 349 SG CYS A 26 49.247 -0.451 3.619 1.00 0.85 S ATOM 0 H CYS A 26 49.749 -4.550 2.818 1.00 0.45 H new ATOM 0 HA CYS A 26 50.011 -1.942 1.432 1.00 0.51 H new ATOM 0 HB2 CYS A 26 48.463 -2.714 3.398 1.00 0.66 H new ATOM 0 HB3 CYS A 26 49.908 -2.632 4.385 1.00 0.66 H new ATOM 354 N LEU A 27 52.444 -1.850 1.513 1.00 0.46 N ATOM 355 CA LEU A 27 53.915 -1.662 1.590 1.00 0.49 C ATOM 356 C LEU A 27 54.275 -0.294 2.178 1.00 0.47 C ATOM 357 O LEU A 27 53.719 0.726 1.823 1.00 0.48 O ATOM 358 CB LEU A 27 54.491 -1.822 0.161 1.00 0.59 C ATOM 359 CG LEU A 27 54.857 -0.460 -0.453 1.00 0.71 C ATOM 360 CD1 LEU A 27 56.231 -0.021 0.053 1.00 1.31 C ATOM 361 CD2 LEU A 27 54.894 -0.579 -1.978 1.00 1.07 C ATOM 0 H LEU A 27 52.019 -1.538 0.640 1.00 0.46 H new ATOM 0 HA LEU A 27 54.347 -2.409 2.255 1.00 0.49 H new ATOM 0 HB2 LEU A 27 55.376 -2.458 0.193 1.00 0.59 H new ATOM 0 HB3 LEU A 27 53.760 -2.324 -0.473 1.00 0.59 H new ATOM 0 HG LEU A 27 54.109 0.278 -0.162 1.00 0.71 H new ATOM 0 HD11 LEU A 27 56.488 0.944 -0.383 1.00 1.31 H new ATOM 0 HD12 LEU A 27 56.208 0.067 1.139 1.00 1.31 H new ATOM 0 HD13 LEU A 27 56.978 -0.760 -0.236 1.00 1.31 H new ATOM 0 HD21 LEU A 27 55.153 0.387 -2.412 1.00 1.07 H new ATOM 0 HD22 LEU A 27 55.640 -1.319 -2.267 1.00 1.07 H new ATOM 0 HD23 LEU A 27 53.915 -0.889 -2.343 1.00 1.07 H new ATOM 373 N ILE A 28 55.240 -0.282 3.052 1.00 0.51 N ATOM 374 CA ILE A 28 55.710 0.991 3.656 1.00 0.53 C ATOM 375 C ILE A 28 57.178 1.143 3.263 1.00 0.53 C ATOM 376 O ILE A 28 58.041 0.508 3.828 1.00 0.73 O ATOM 377 CB ILE A 28 55.591 0.923 5.182 1.00 0.60 C ATOM 378 CG1 ILE A 28 54.133 0.666 5.576 1.00 1.02 C ATOM 379 CG2 ILE A 28 56.056 2.247 5.789 1.00 1.36 C ATOM 380 CD1 ILE A 28 54.075 -0.430 6.642 1.00 1.91 C ATOM 0 H ILE A 28 55.730 -1.115 3.378 1.00 0.51 H new ATOM 0 HA ILE A 28 55.114 1.834 3.307 1.00 0.53 H new ATOM 0 HB ILE A 28 56.214 0.111 5.556 1.00 0.60 H new ATOM 0 HG12 ILE A 28 53.682 1.582 5.957 1.00 1.02 H new ATOM 0 HG13 ILE A 28 53.556 0.367 4.701 1.00 1.02 H new ATOM 0 HG21 ILE A 28 55.971 2.199 6.875 1.00 1.36 H new ATOM 0 HG22 ILE A 28 57.095 2.429 5.514 1.00 1.36 H new ATOM 0 HG23 ILE A 28 55.434 3.059 5.412 1.00 1.36 H new ATOM 0 HD11 ILE A 28 53.037 -0.612 6.921 1.00 1.91 H new ATOM 0 HD12 ILE A 28 54.510 -1.347 6.245 1.00 1.91 H new ATOM 0 HD13 ILE A 28 54.637 -0.113 7.521 1.00 1.91 H new ATOM 392 N THR A 29 57.478 1.940 2.280 1.00 0.51 N ATOM 393 CA THR A 29 58.899 2.055 1.857 1.00 0.58 C ATOM 394 C THR A 29 59.618 3.113 2.683 1.00 0.47 C ATOM 395 O THR A 29 59.057 4.124 3.045 1.00 0.63 O ATOM 396 CB THR A 29 58.964 2.447 0.379 1.00 0.77 C ATOM 397 OG1 THR A 29 58.436 1.395 -0.415 1.00 1.19 O ATOM 398 CG2 THR A 29 60.418 2.708 -0.014 1.00 0.85 C ATOM 0 H THR A 29 56.813 2.510 1.757 1.00 0.51 H new ATOM 0 HA THR A 29 59.385 1.092 2.010 1.00 0.58 H new ATOM 0 HB THR A 29 58.377 3.351 0.216 1.00 0.77 H new ATOM 0 HG1 THR A 29 58.048 1.767 -1.234 1.00 1.19 H new ATOM 0 HG21 THR A 29 60.466 2.987 -1.067 1.00 0.85 H new ATOM 0 HG22 THR A 29 60.820 3.518 0.595 1.00 0.85 H new ATOM 0 HG23 THR A 29 61.007 1.805 0.149 1.00 0.85 H new ATOM 406 N LYS A 30 60.869 2.875 2.970 1.00 0.40 N ATOM 407 CA LYS A 30 61.671 3.846 3.761 1.00 0.46 C ATOM 408 C LYS A 30 62.977 4.102 3.012 1.00 0.51 C ATOM 409 O LYS A 30 64.018 3.589 3.371 1.00 0.67 O ATOM 410 CB LYS A 30 61.988 3.255 5.138 1.00 0.61 C ATOM 411 CG LYS A 30 61.479 4.194 6.234 1.00 0.83 C ATOM 412 CD LYS A 30 62.209 3.893 7.545 1.00 1.51 C ATOM 413 CE LYS A 30 62.301 5.171 8.382 1.00 1.84 C ATOM 414 NZ LYS A 30 62.437 4.816 9.823 1.00 2.37 N ATOM 0 H LYS A 30 61.375 2.036 2.685 1.00 0.40 H new ATOM 0 HA LYS A 30 61.114 4.774 3.892 1.00 0.46 H new ATOM 0 HB2 LYS A 30 61.521 2.275 5.240 1.00 0.61 H new ATOM 0 HB3 LYS A 30 63.063 3.108 5.242 1.00 0.61 H new ATOM 0 HG2 LYS A 30 61.644 5.232 5.944 1.00 0.83 H new ATOM 0 HG3 LYS A 30 60.405 4.067 6.366 1.00 0.83 H new ATOM 0 HD2 LYS A 30 61.678 3.119 8.100 1.00 1.51 H new ATOM 0 HD3 LYS A 30 63.208 3.508 7.338 1.00 1.51 H new ATOM 0 HE2 LYS A 30 63.156 5.767 8.062 1.00 1.84 H new ATOM 0 HE3 LYS A 30 61.411 5.782 8.230 1.00 1.84 H new ATOM 0 HZ1 LYS A 30 62.499 5.685 10.390 1.00 2.37 H new ATOM 0 HZ2 LYS A 30 61.608 4.265 10.124 1.00 2.37 H new ATOM 0 HZ3 LYS A 30 63.298 4.250 9.961 1.00 2.37 H new ATOM 428 N ALA A 31 62.935 4.881 1.968 1.00 0.49 N ATOM 429 CA ALA A 31 64.181 5.149 1.200 1.00 0.63 C ATOM 430 C ALA A 31 64.886 6.358 1.814 1.00 0.82 C ATOM 431 O ALA A 31 64.333 7.438 1.890 1.00 1.33 O ATOM 432 CB ALA A 31 63.824 5.448 -0.257 1.00 0.70 C ATOM 0 H ALA A 31 62.096 5.341 1.615 1.00 0.49 H new ATOM 0 HA ALA A 31 64.838 4.280 1.237 1.00 0.63 H new ATOM 0 HB1 ALA A 31 64.735 5.645 -0.822 1.00 0.70 H new ATOM 0 HB2 ALA A 31 63.308 4.590 -0.688 1.00 0.70 H new ATOM 0 HB3 ALA A 31 63.174 6.322 -0.300 1.00 0.70 H new ATOM 438 N GLY A 32 66.099 6.188 2.264 1.00 1.29 N ATOM 439 CA GLY A 32 66.826 7.326 2.883 1.00 1.50 C ATOM 440 C GLY A 32 65.977 7.904 4.016 1.00 1.73 C ATOM 441 O GLY A 32 66.061 7.473 5.149 1.00 2.37 O ATOM 0 H GLY A 32 66.616 5.309 2.229 1.00 1.29 H new ATOM 0 HA2 GLY A 32 67.790 6.992 3.268 1.00 1.50 H new ATOM 0 HA3 GLY A 32 67.029 8.093 2.136 1.00 1.50 H new ATOM 445 N LEU A 33 65.153 8.872 3.719 1.00 1.74 N ATOM 446 CA LEU A 33 64.292 9.473 4.777 1.00 2.01 C ATOM 447 C LEU A 33 62.838 9.491 4.301 1.00 1.35 C ATOM 448 O LEU A 33 61.918 9.305 5.073 1.00 1.66 O ATOM 449 CB LEU A 33 64.743 10.907 5.056 1.00 2.55 C ATOM 450 CG LEU A 33 66.266 10.999 4.952 1.00 3.41 C ATOM 451 CD1 LEU A 33 66.658 11.333 3.513 1.00 3.64 C ATOM 452 CD2 LEU A 33 66.775 12.100 5.886 1.00 3.91 C ATOM 0 H LEU A 33 65.039 9.273 2.788 1.00 1.74 H new ATOM 0 HA LEU A 33 64.376 8.880 5.687 1.00 2.01 H new ATOM 0 HB2 LEU A 33 64.279 11.589 4.344 1.00 2.55 H new ATOM 0 HB3 LEU A 33 64.418 11.214 6.050 1.00 2.55 H new ATOM 0 HG LEU A 33 66.708 10.045 5.238 1.00 3.41 H new ATOM 0 HD11 LEU A 33 67.743 11.399 3.438 1.00 3.64 H new ATOM 0 HD12 LEU A 33 66.295 10.551 2.846 1.00 3.64 H new ATOM 0 HD13 LEU A 33 66.216 12.288 3.228 1.00 3.64 H new ATOM 0 HD21 LEU A 33 67.861 12.166 5.813 1.00 3.91 H new ATOM 0 HD22 LEU A 33 66.333 13.054 5.599 1.00 3.91 H new ATOM 0 HD23 LEU A 33 66.495 11.865 6.913 1.00 3.91 H new ATOM 464 N GLN A 34 62.625 9.721 3.035 1.00 0.90 N ATOM 465 CA GLN A 34 61.233 9.761 2.508 1.00 0.93 C ATOM 466 C GLN A 34 60.670 8.341 2.423 1.00 0.79 C ATOM 467 O GLN A 34 61.226 7.476 1.771 1.00 0.80 O ATOM 468 CB GLN A 34 61.235 10.390 1.113 1.00 1.43 C ATOM 469 CG GLN A 34 61.147 11.913 1.235 1.00 2.06 C ATOM 470 CD GLN A 34 61.375 12.544 -0.139 1.00 2.96 C ATOM 471 OE1 GLN A 34 60.629 13.408 -0.555 1.00 3.48 O ATOM 472 NE2 GLN A 34 62.383 12.145 -0.866 1.00 3.72 N ATOM 0 H GLN A 34 63.356 9.883 2.342 1.00 0.90 H new ATOM 0 HA GLN A 34 60.612 10.355 3.178 1.00 0.93 H new ATOM 0 HB2 GLN A 34 62.143 10.110 0.578 1.00 1.43 H new ATOM 0 HB3 GLN A 34 60.394 10.013 0.532 1.00 1.43 H new ATOM 0 HG2 GLN A 34 60.170 12.202 1.623 1.00 2.06 H new ATOM 0 HG3 GLN A 34 61.892 12.276 1.943 1.00 2.06 H new ATOM 0 HE21 GLN A 34 63.009 11.420 -0.516 1.00 3.72 H new ATOM 0 HE22 GLN A 34 62.545 12.559 -1.784 1.00 3.72 H new ATOM 481 N VAL A 35 59.565 8.095 3.071 1.00 0.72 N ATOM 482 CA VAL A 35 58.965 6.734 3.018 1.00 0.62 C ATOM 483 C VAL A 35 58.008 6.659 1.827 1.00 0.55 C ATOM 484 O VAL A 35 57.028 7.374 1.764 1.00 0.70 O ATOM 485 CB VAL A 35 58.199 6.441 4.332 1.00 0.71 C ATOM 486 CG1 VAL A 35 56.907 5.647 4.059 1.00 1.35 C ATOM 487 CG2 VAL A 35 59.084 5.608 5.260 1.00 0.71 C ATOM 0 H VAL A 35 59.054 8.776 3.633 1.00 0.72 H new ATOM 0 HA VAL A 35 59.753 5.990 2.902 1.00 0.62 H new ATOM 0 HB VAL A 35 57.942 7.396 4.791 1.00 0.71 H new ATOM 0 HG11 VAL A 35 56.391 5.457 5.000 1.00 1.35 H new ATOM 0 HG12 VAL A 35 56.258 6.224 3.400 1.00 1.35 H new ATOM 0 HG13 VAL A 35 57.156 4.698 3.584 1.00 1.35 H new ATOM 0 HG21 VAL A 35 58.547 5.401 6.186 1.00 0.71 H new ATOM 0 HG22 VAL A 35 59.341 4.668 4.771 1.00 0.71 H new ATOM 0 HG23 VAL A 35 59.996 6.161 5.486 1.00 0.71 H new ATOM 497 N TYR A 36 58.264 5.783 0.899 1.00 0.45 N ATOM 498 CA TYR A 36 57.340 5.655 -0.257 1.00 0.42 C ATOM 499 C TYR A 36 56.280 4.624 0.116 1.00 0.46 C ATOM 500 O TYR A 36 56.351 3.469 -0.256 1.00 0.68 O ATOM 501 CB TYR A 36 58.112 5.204 -1.497 1.00 0.45 C ATOM 502 CG TYR A 36 58.669 6.419 -2.203 1.00 1.10 C ATOM 503 CD1 TYR A 36 57.831 7.503 -2.502 1.00 1.85 C ATOM 504 CD2 TYR A 36 60.023 6.465 -2.555 1.00 1.87 C ATOM 505 CE1 TYR A 36 58.349 8.629 -3.152 1.00 2.70 C ATOM 506 CE2 TYR A 36 60.541 7.592 -3.205 1.00 2.75 C ATOM 507 CZ TYR A 36 59.704 8.674 -3.504 1.00 3.02 C ATOM 508 OH TYR A 36 60.214 9.785 -4.144 1.00 3.99 O ATOM 0 H TYR A 36 59.067 5.154 0.891 1.00 0.45 H new ATOM 0 HA TYR A 36 56.873 6.613 -0.486 1.00 0.42 H new ATOM 0 HB2 TYR A 36 58.921 4.531 -1.212 1.00 0.45 H new ATOM 0 HB3 TYR A 36 57.456 4.648 -2.167 1.00 0.45 H new ATOM 0 HD1 TYR A 36 56.786 7.469 -2.231 1.00 1.85 H new ATOM 0 HD2 TYR A 36 60.669 5.630 -2.325 1.00 1.87 H new ATOM 0 HE1 TYR A 36 57.704 9.464 -3.382 1.00 2.70 H new ATOM 0 HE2 TYR A 36 61.586 7.627 -3.476 1.00 2.75 H new ATOM 0 HH TYR A 36 61.170 9.654 -4.315 1.00 3.99 H new ATOM 518 N ASN A 37 55.314 5.033 0.888 1.00 0.58 N ATOM 519 CA ASN A 37 54.259 4.087 1.334 1.00 0.66 C ATOM 520 C ASN A 37 53.100 4.069 0.341 1.00 0.60 C ATOM 521 O ASN A 37 52.522 5.087 0.017 1.00 0.77 O ATOM 522 CB ASN A 37 53.745 4.527 2.704 1.00 1.00 C ATOM 523 CG ASN A 37 53.091 3.341 3.414 1.00 1.16 C ATOM 524 OD1 ASN A 37 53.429 3.036 4.538 1.00 2.07 O ATOM 525 ND2 ASN A 37 52.163 2.654 2.805 1.00 0.91 N ATOM 0 H ASN A 37 55.210 5.988 1.231 1.00 0.58 H new ATOM 0 HA ASN A 37 54.682 3.084 1.394 1.00 0.66 H new ATOM 0 HB2 ASN A 37 54.568 4.914 3.305 1.00 1.00 H new ATOM 0 HB3 ASN A 37 53.025 5.337 2.590 1.00 1.00 H new ATOM 0 HD21 ASN A 37 51.724 1.862 3.275 1.00 0.91 H new ATOM 0 HD22 ASN A 37 51.877 2.909 1.860 1.00 0.91 H new ATOM 532 N LYS A 38 52.750 2.905 -0.125 1.00 0.49 N ATOM 533 CA LYS A 38 51.618 2.782 -1.079 1.00 0.58 C ATOM 534 C LYS A 38 50.979 1.402 -0.900 1.00 0.51 C ATOM 535 O LYS A 38 51.410 0.606 -0.082 1.00 0.53 O ATOM 536 CB LYS A 38 52.133 2.933 -2.513 1.00 0.67 C ATOM 537 CG LYS A 38 51.000 3.420 -3.419 1.00 1.13 C ATOM 538 CD LYS A 38 51.432 4.704 -4.133 1.00 1.51 C ATOM 539 CE LYS A 38 51.650 4.416 -5.620 1.00 1.60 C ATOM 540 NZ LYS A 38 50.335 4.385 -6.318 1.00 2.05 N ATOM 0 H LYS A 38 53.205 2.025 0.117 1.00 0.49 H new ATOM 0 HA LYS A 38 50.881 3.561 -0.887 1.00 0.58 H new ATOM 0 HB2 LYS A 38 52.962 3.640 -2.539 1.00 0.67 H new ATOM 0 HB3 LYS A 38 52.516 1.979 -2.875 1.00 0.67 H new ATOM 0 HG2 LYS A 38 50.749 2.652 -4.150 1.00 1.13 H new ATOM 0 HG3 LYS A 38 50.102 3.604 -2.829 1.00 1.13 H new ATOM 0 HD2 LYS A 38 50.671 5.475 -4.009 1.00 1.51 H new ATOM 0 HD3 LYS A 38 52.350 5.088 -3.688 1.00 1.51 H new ATOM 0 HE2 LYS A 38 52.289 5.182 -6.060 1.00 1.60 H new ATOM 0 HE3 LYS A 38 52.163 3.462 -5.745 1.00 1.60 H new ATOM 0 HZ1 LYS A 38 50.483 4.189 -7.329 1.00 2.05 H new ATOM 0 HZ2 LYS A 38 49.740 3.639 -5.904 1.00 2.05 H new ATOM 0 HZ3 LYS A 38 49.862 5.305 -6.209 1.00 2.05 H new ATOM 554 N CYS A 39 49.972 1.098 -1.666 1.00 0.50 N ATOM 555 CA CYS A 39 49.333 -0.241 -1.541 1.00 0.47 C ATOM 556 C CYS A 39 50.087 -1.189 -2.470 1.00 0.44 C ATOM 557 O CYS A 39 50.754 -0.751 -3.382 1.00 0.86 O ATOM 558 CB CYS A 39 47.851 -0.174 -1.935 1.00 0.72 C ATOM 559 SG CYS A 39 47.227 1.524 -1.782 1.00 1.25 S ATOM 0 H CYS A 39 49.565 1.714 -2.370 1.00 0.50 H new ATOM 0 HA CYS A 39 49.379 -0.591 -0.510 1.00 0.47 H new ATOM 0 HB2 CYS A 39 47.725 -0.523 -2.960 1.00 0.72 H new ATOM 0 HB3 CYS A 39 47.269 -0.840 -1.298 1.00 0.72 H new ATOM 564 N TRP A 40 50.038 -2.472 -2.240 1.00 0.57 N ATOM 565 CA TRP A 40 50.826 -3.386 -3.119 1.00 0.92 C ATOM 566 C TRP A 40 50.124 -4.717 -3.324 1.00 0.60 C ATOM 567 O TRP A 40 49.209 -5.076 -2.616 1.00 0.54 O ATOM 568 CB TRP A 40 52.191 -3.617 -2.460 1.00 1.67 C ATOM 569 CG TRP A 40 53.283 -3.634 -3.482 1.00 1.04 C ATOM 570 CD1 TRP A 40 53.988 -4.732 -3.828 1.00 0.88 C ATOM 571 CD2 TRP A 40 53.828 -2.531 -4.270 1.00 0.70 C ATOM 572 NE1 TRP A 40 54.920 -4.383 -4.789 1.00 0.72 N ATOM 573 CE2 TRP A 40 54.860 -3.038 -5.094 1.00 0.54 C ATOM 574 CE3 TRP A 40 53.529 -1.159 -4.356 1.00 0.83 C ATOM 575 CZ2 TRP A 40 55.569 -2.214 -5.968 1.00 0.74 C ATOM 576 CZ3 TRP A 40 54.244 -0.326 -5.233 1.00 0.60 C ATOM 577 CH2 TRP A 40 55.261 -0.852 -6.038 1.00 0.63 C ATOM 0 H TRP A 40 49.500 -2.921 -1.499 1.00 0.57 H new ATOM 0 HA TRP A 40 50.937 -2.925 -4.101 1.00 0.92 H new ATOM 0 HB2 TRP A 40 52.384 -2.831 -1.729 1.00 1.67 H new ATOM 0 HB3 TRP A 40 52.181 -4.562 -1.917 1.00 1.67 H new ATOM 0 HD1 TRP A 40 53.847 -5.722 -3.421 1.00 0.88 H new ATOM 0 HE1 TRP A 40 55.572 -5.039 -5.219 1.00 0.72 H new ATOM 0 HE3 TRP A 40 52.743 -0.743 -3.743 1.00 0.83 H new ATOM 0 HZ2 TRP A 40 56.352 -2.626 -6.587 1.00 0.74 H new ATOM 0 HZ3 TRP A 40 54.007 0.726 -5.286 1.00 0.60 H new ATOM 0 HH2 TRP A 40 55.806 -0.207 -6.711 1.00 0.63 H new ATOM 588 N LYS A 41 50.555 -5.448 -4.315 1.00 0.52 N ATOM 589 CA LYS A 41 49.925 -6.755 -4.605 1.00 0.46 C ATOM 590 C LYS A 41 50.616 -7.841 -3.799 1.00 0.44 C ATOM 591 O LYS A 41 51.705 -8.277 -4.116 1.00 0.77 O ATOM 592 CB LYS A 41 50.035 -7.062 -6.099 1.00 0.72 C ATOM 593 CG LYS A 41 49.082 -6.148 -6.872 1.00 1.47 C ATOM 594 CD LYS A 41 49.319 -6.308 -8.374 1.00 1.69 C ATOM 595 CE LYS A 41 48.053 -5.907 -9.134 1.00 2.34 C ATOM 596 NZ LYS A 41 48.143 -6.393 -10.539 1.00 2.38 N ATOM 0 H LYS A 41 51.321 -5.190 -4.937 1.00 0.52 H new ATOM 0 HA LYS A 41 48.871 -6.719 -4.328 1.00 0.46 H new ATOM 0 HB2 LYS A 41 51.059 -6.910 -6.439 1.00 0.72 H new ATOM 0 HB3 LYS A 41 49.788 -8.107 -6.287 1.00 0.72 H new ATOM 0 HG2 LYS A 41 48.049 -6.395 -6.629 1.00 1.47 H new ATOM 0 HG3 LYS A 41 49.239 -5.110 -6.578 1.00 1.47 H new ATOM 0 HD2 LYS A 41 50.158 -5.687 -8.689 1.00 1.69 H new ATOM 0 HD3 LYS A 41 49.583 -7.340 -8.604 1.00 1.69 H new ATOM 0 HE2 LYS A 41 47.174 -6.330 -8.647 1.00 2.34 H new ATOM 0 HE3 LYS A 41 47.935 -4.824 -9.119 1.00 2.34 H new ATOM 0 HZ1 LYS A 41 47.283 -6.121 -11.056 1.00 2.38 H new ATOM 0 HZ2 LYS A 41 48.973 -5.969 -11.000 1.00 2.38 H new ATOM 0 HZ3 LYS A 41 48.236 -7.429 -10.543 1.00 2.38 H new ATOM 610 N PHE A 42 49.953 -8.260 -2.761 1.00 0.39 N ATOM 611 CA PHE A 42 50.461 -9.330 -1.850 1.00 0.51 C ATOM 612 C PHE A 42 51.578 -10.140 -2.498 1.00 0.60 C ATOM 613 O PHE A 42 52.632 -10.337 -1.926 1.00 0.74 O ATOM 614 CB PHE A 42 49.300 -10.273 -1.526 1.00 0.72 C ATOM 615 CG PHE A 42 48.120 -9.995 -2.443 1.00 0.70 C ATOM 616 CD1 PHE A 42 48.027 -10.652 -3.672 1.00 0.93 C ATOM 617 CD2 PHE A 42 47.117 -9.092 -2.060 1.00 1.06 C ATOM 618 CE1 PHE A 42 46.937 -10.418 -4.518 1.00 1.10 C ATOM 619 CE2 PHE A 42 46.029 -8.854 -2.909 1.00 1.27 C ATOM 620 CZ PHE A 42 45.937 -9.520 -4.136 1.00 1.15 C ATOM 0 H PHE A 42 49.041 -7.891 -2.493 1.00 0.39 H new ATOM 0 HA PHE A 42 50.860 -8.859 -0.952 1.00 0.51 H new ATOM 0 HB2 PHE A 42 49.621 -11.308 -1.640 1.00 0.72 H new ATOM 0 HB3 PHE A 42 48.999 -10.145 -0.486 1.00 0.72 H new ATOM 0 HD1 PHE A 42 48.800 -11.344 -3.971 1.00 0.93 H new ATOM 0 HD2 PHE A 42 47.184 -8.581 -1.111 1.00 1.06 H new ATOM 0 HE1 PHE A 42 46.869 -10.931 -5.466 1.00 1.10 H new ATOM 0 HE2 PHE A 42 45.260 -8.155 -2.616 1.00 1.27 H new ATOM 0 HZ PHE A 42 45.094 -9.340 -4.787 1.00 1.15 H new ATOM 630 N GLU A 43 51.336 -10.636 -3.671 1.00 0.61 N ATOM 631 CA GLU A 43 52.356 -11.463 -4.365 1.00 0.77 C ATOM 632 C GLU A 43 53.445 -10.587 -5.006 1.00 0.74 C ATOM 633 O GLU A 43 53.906 -10.872 -6.093 1.00 1.04 O ATOM 634 CB GLU A 43 51.670 -12.290 -5.455 1.00 0.93 C ATOM 635 CG GLU A 43 51.829 -13.779 -5.143 1.00 1.33 C ATOM 636 CD GLU A 43 51.597 -14.595 -6.416 1.00 1.87 C ATOM 637 OE1 GLU A 43 50.454 -14.696 -6.832 1.00 2.18 O ATOM 638 OE2 GLU A 43 52.566 -15.105 -6.954 1.00 2.67 O ATOM 0 H GLU A 43 50.466 -10.504 -4.187 1.00 0.61 H new ATOM 0 HA GLU A 43 52.830 -12.114 -3.630 1.00 0.77 H new ATOM 0 HB2 GLU A 43 50.613 -12.031 -5.512 1.00 0.93 H new ATOM 0 HB3 GLU A 43 52.107 -12.063 -6.428 1.00 0.93 H new ATOM 0 HG2 GLU A 43 52.827 -13.974 -4.750 1.00 1.33 H new ATOM 0 HG3 GLU A 43 51.118 -14.078 -4.372 1.00 1.33 H new ATOM 645 N HIS A 44 53.876 -9.534 -4.356 1.00 0.71 N ATOM 646 CA HIS A 44 54.943 -8.686 -4.967 1.00 0.81 C ATOM 647 C HIS A 44 55.890 -8.147 -3.888 1.00 0.72 C ATOM 648 O HIS A 44 56.775 -7.366 -4.177 1.00 0.81 O ATOM 649 CB HIS A 44 54.316 -7.508 -5.714 1.00 1.08 C ATOM 650 CG HIS A 44 53.791 -7.978 -7.044 1.00 1.50 C ATOM 651 ND1 HIS A 44 52.511 -8.486 -7.198 1.00 1.88 N ATOM 652 CD2 HIS A 44 54.365 -8.023 -8.290 1.00 2.33 C ATOM 653 CE1 HIS A 44 52.358 -8.812 -8.495 1.00 2.37 C ATOM 654 NE2 HIS A 44 53.458 -8.550 -9.205 1.00 2.64 N ATOM 0 H HIS A 44 53.541 -9.229 -3.442 1.00 0.71 H new ATOM 0 HA HIS A 44 55.509 -9.304 -5.664 1.00 0.81 H new ATOM 0 HB2 HIS A 44 53.507 -7.078 -5.123 1.00 1.08 H new ATOM 0 HB3 HIS A 44 55.056 -6.721 -5.861 1.00 1.08 H new ATOM 0 HD2 HIS A 44 55.368 -7.699 -8.525 1.00 2.33 H new ATOM 0 HE1 HIS A 44 51.455 -9.234 -8.911 1.00 2.37 H new ATOM 0 HE2 HIS A 44 53.603 -8.703 -10.203 1.00 2.64 H new ATOM 662 N CYS A 45 55.732 -8.549 -2.654 1.00 0.74 N ATOM 663 CA CYS A 45 56.656 -8.035 -1.600 1.00 0.71 C ATOM 664 C CYS A 45 57.852 -8.974 -1.475 1.00 0.64 C ATOM 665 O CYS A 45 58.183 -9.440 -0.403 1.00 0.71 O ATOM 666 CB CYS A 45 55.936 -7.935 -0.252 1.00 0.86 C ATOM 667 SG CYS A 45 56.993 -7.066 0.936 1.00 1.53 S ATOM 0 H CYS A 45 55.015 -9.200 -2.334 1.00 0.74 H new ATOM 0 HA CYS A 45 56.996 -7.039 -1.885 1.00 0.71 H new ATOM 0 HB2 CYS A 45 54.992 -7.404 -0.371 1.00 0.86 H new ATOM 0 HB3 CYS A 45 55.697 -8.932 0.119 1.00 0.86 H new ATOM 672 N ASN A 46 58.508 -9.246 -2.568 1.00 0.76 N ATOM 673 CA ASN A 46 59.693 -10.145 -2.525 1.00 0.87 C ATOM 674 C ASN A 46 60.881 -9.364 -1.974 1.00 0.93 C ATOM 675 O ASN A 46 61.171 -9.390 -0.794 1.00 1.49 O ATOM 676 CB ASN A 46 60.020 -10.617 -3.942 1.00 0.92 C ATOM 677 CG ASN A 46 59.063 -11.740 -4.342 1.00 1.06 C ATOM 678 OD1 ASN A 46 59.095 -12.814 -3.775 1.00 1.39 O ATOM 679 ND2 ASN A 46 58.205 -11.534 -5.303 1.00 1.09 N ATOM 0 H ASN A 46 58.273 -8.883 -3.492 1.00 0.76 H new ATOM 0 HA ASN A 46 59.483 -11.007 -1.891 1.00 0.87 H new ATOM 0 HB2 ASN A 46 59.934 -9.786 -4.642 1.00 0.92 H new ATOM 0 HB3 ASN A 46 61.050 -10.969 -3.990 1.00 0.92 H new ATOM 0 HD21 ASN A 46 57.560 -12.275 -5.579 1.00 1.09 H new ATOM 0 HD22 ASN A 46 58.179 -10.632 -5.779 1.00 1.09 H new ATOM 686 N PHE A 47 61.562 -8.658 -2.828 1.00 0.90 N ATOM 687 CA PHE A 47 62.728 -7.855 -2.382 1.00 0.93 C ATOM 688 C PHE A 47 62.489 -6.395 -2.766 1.00 0.72 C ATOM 689 O PHE A 47 61.844 -5.654 -2.052 1.00 0.72 O ATOM 690 CB PHE A 47 63.995 -8.375 -3.061 1.00 1.10 C ATOM 691 CG PHE A 47 65.156 -7.509 -2.656 1.00 1.20 C ATOM 692 CD1 PHE A 47 65.352 -7.197 -1.307 1.00 1.31 C ATOM 693 CD2 PHE A 47 66.033 -7.013 -3.625 1.00 1.29 C ATOM 694 CE1 PHE A 47 66.426 -6.390 -0.925 1.00 1.45 C ATOM 695 CE2 PHE A 47 67.108 -6.205 -3.245 1.00 1.41 C ATOM 696 CZ PHE A 47 67.306 -5.892 -1.894 1.00 1.47 C ATOM 0 H PHE A 47 61.358 -8.603 -3.826 1.00 0.90 H new ATOM 0 HA PHE A 47 62.851 -7.935 -1.302 1.00 0.93 H new ATOM 0 HB2 PHE A 47 64.179 -9.410 -2.774 1.00 1.10 H new ATOM 0 HB3 PHE A 47 63.875 -8.362 -4.144 1.00 1.10 H new ATOM 0 HD1 PHE A 47 64.673 -7.580 -0.560 1.00 1.31 H new ATOM 0 HD2 PHE A 47 65.880 -7.254 -4.667 1.00 1.29 H new ATOM 0 HE1 PHE A 47 66.578 -6.150 0.117 1.00 1.45 H new ATOM 0 HE2 PHE A 47 67.786 -5.822 -3.993 1.00 1.41 H new ATOM 0 HZ PHE A 47 68.136 -5.267 -1.600 1.00 1.47 H new ATOM 706 N ASN A 48 62.984 -5.974 -3.893 1.00 0.65 N ATOM 707 CA ASN A 48 62.757 -4.566 -4.309 1.00 0.49 C ATOM 708 C ASN A 48 61.482 -4.487 -5.152 1.00 0.44 C ATOM 709 O ASN A 48 61.083 -3.427 -5.586 1.00 0.52 O ATOM 710 CB ASN A 48 63.950 -4.068 -5.125 1.00 0.58 C ATOM 711 CG ASN A 48 65.000 -3.482 -4.178 1.00 0.64 C ATOM 712 OD1 ASN A 48 64.624 -2.672 -3.223 1.00 1.00 O flip ATOM 713 ND2 ASN A 48 66.175 -3.764 -4.307 1.00 0.59 N flip ATOM 0 H ASN A 48 63.533 -6.540 -4.541 1.00 0.65 H new ATOM 0 HA ASN A 48 62.647 -3.939 -3.424 1.00 0.49 H new ATOM 0 HB2 ASN A 48 64.380 -4.888 -5.700 1.00 0.58 H new ATOM 0 HB3 ASN A 48 63.626 -3.312 -5.840 1.00 0.58 H new ATOM 0 HD21 ASN A 48 66.469 -4.396 -5.052 1.00 0.59 H new ATOM 0 HD22 ASN A 48 66.867 -3.369 -3.670 1.00 0.59 H new ATOM 720 N ASP A 49 60.837 -5.602 -5.382 1.00 0.46 N ATOM 721 CA ASP A 49 59.588 -5.585 -6.194 1.00 0.58 C ATOM 722 C ASP A 49 58.589 -4.617 -5.565 1.00 0.57 C ATOM 723 O ASP A 49 57.641 -4.198 -6.195 1.00 0.76 O ATOM 724 CB ASP A 49 58.976 -6.987 -6.234 1.00 0.70 C ATOM 725 CG ASP A 49 60.061 -8.007 -6.586 1.00 0.81 C ATOM 726 OD1 ASP A 49 61.190 -7.594 -6.796 1.00 0.86 O ATOM 727 OD2 ASP A 49 59.746 -9.184 -6.640 1.00 1.17 O ATOM 0 H ASP A 49 61.122 -6.521 -5.042 1.00 0.46 H new ATOM 0 HA ASP A 49 59.823 -5.265 -7.209 1.00 0.58 H new ATOM 0 HB2 ASP A 49 58.533 -7.230 -5.268 1.00 0.70 H new ATOM 0 HB3 ASP A 49 58.174 -7.024 -6.971 1.00 0.70 H new ATOM 732 N VAL A 50 58.790 -4.258 -4.327 1.00 0.46 N ATOM 733 CA VAL A 50 57.844 -3.314 -3.669 1.00 0.62 C ATOM 734 C VAL A 50 58.219 -1.888 -4.048 1.00 0.56 C ATOM 735 O VAL A 50 57.432 -1.153 -4.608 1.00 0.65 O ATOM 736 CB VAL A 50 57.926 -3.471 -2.148 1.00 0.73 C ATOM 737 CG1 VAL A 50 57.160 -2.336 -1.465 1.00 1.17 C ATOM 738 CG2 VAL A 50 57.309 -4.804 -1.739 1.00 1.21 C ATOM 0 H VAL A 50 59.565 -4.576 -3.745 1.00 0.46 H new ATOM 0 HA VAL A 50 56.828 -3.532 -3.998 1.00 0.62 H new ATOM 0 HB VAL A 50 58.972 -3.438 -1.844 1.00 0.73 H new ATOM 0 HG11 VAL A 50 57.223 -2.454 -0.383 1.00 1.17 H new ATOM 0 HG12 VAL A 50 57.596 -1.379 -1.751 1.00 1.17 H new ATOM 0 HG13 VAL A 50 56.115 -2.365 -1.773 1.00 1.17 H new ATOM 0 HG21 VAL A 50 57.368 -4.915 -0.656 1.00 1.21 H new ATOM 0 HG22 VAL A 50 56.265 -4.833 -2.051 1.00 1.21 H new ATOM 0 HG23 VAL A 50 57.853 -5.619 -2.217 1.00 1.21 H new ATOM 748 N THR A 51 59.412 -1.483 -3.743 1.00 0.46 N ATOM 749 CA THR A 51 59.819 -0.102 -4.089 1.00 0.41 C ATOM 750 C THR A 51 60.394 -0.086 -5.508 1.00 0.36 C ATOM 751 O THR A 51 60.996 0.881 -5.931 1.00 0.35 O ATOM 752 CB THR A 51 60.860 0.392 -3.082 1.00 0.43 C ATOM 753 OG1 THR A 51 60.965 1.805 -3.171 1.00 1.14 O ATOM 754 CG2 THR A 51 62.213 -0.250 -3.382 1.00 1.14 C ATOM 0 H THR A 51 60.121 -2.045 -3.271 1.00 0.46 H new ATOM 0 HA THR A 51 58.955 0.561 -4.050 1.00 0.41 H new ATOM 0 HB THR A 51 60.553 0.115 -2.074 1.00 0.43 H new ATOM 0 HG1 THR A 51 61.499 2.044 -3.957 1.00 1.14 H new ATOM 0 HG21 THR A 51 62.951 0.104 -2.663 1.00 1.14 H new ATOM 0 HG22 THR A 51 62.126 -1.334 -3.308 1.00 1.14 H new ATOM 0 HG23 THR A 51 62.529 0.021 -4.389 1.00 1.14 H new ATOM 762 N THR A 52 60.196 -1.142 -6.259 1.00 0.43 N ATOM 763 CA THR A 52 60.711 -1.163 -7.649 1.00 0.49 C ATOM 764 C THR A 52 60.060 -0.005 -8.392 1.00 0.47 C ATOM 765 O THR A 52 60.719 0.865 -8.925 1.00 0.44 O ATOM 766 CB THR A 52 60.339 -2.491 -8.326 1.00 0.64 C ATOM 767 OG1 THR A 52 61.236 -3.507 -7.901 1.00 1.09 O ATOM 768 CG2 THR A 52 60.422 -2.344 -9.849 1.00 0.99 C ATOM 0 H THR A 52 59.701 -1.984 -5.964 1.00 0.43 H new ATOM 0 HA THR A 52 61.797 -1.068 -7.658 1.00 0.49 H new ATOM 0 HB THR A 52 59.320 -2.760 -8.047 1.00 0.64 H new ATOM 0 HG1 THR A 52 61.696 -3.217 -7.086 1.00 1.09 H new ATOM 0 HG21 THR A 52 60.157 -3.290 -10.321 1.00 0.99 H new ATOM 0 HG22 THR A 52 59.731 -1.568 -10.178 1.00 0.99 H new ATOM 0 HG23 THR A 52 61.438 -2.069 -10.133 1.00 0.99 H new ATOM 776 N ARG A 53 58.757 0.018 -8.401 1.00 0.57 N ATOM 777 CA ARG A 53 58.035 1.121 -9.071 1.00 0.62 C ATOM 778 C ARG A 53 58.073 2.351 -8.161 1.00 0.58 C ATOM 779 O ARG A 53 57.607 3.416 -8.513 1.00 0.72 O ATOM 780 CB ARG A 53 56.581 0.707 -9.308 1.00 0.79 C ATOM 781 CG ARG A 53 56.164 1.094 -10.727 1.00 1.25 C ATOM 782 CD ARG A 53 55.534 -0.115 -11.420 1.00 1.83 C ATOM 783 NE ARG A 53 54.299 0.306 -12.139 1.00 1.84 N ATOM 784 CZ ARG A 53 53.775 -0.469 -13.052 1.00 2.58 C ATOM 785 NH1 ARG A 53 54.344 -1.606 -13.353 1.00 3.42 N ATOM 786 NH2 ARG A 53 52.684 -0.104 -13.668 1.00 2.87 N ATOM 0 H ARG A 53 58.162 -0.688 -7.968 1.00 0.57 H new ATOM 0 HA ARG A 53 58.504 1.349 -10.028 1.00 0.62 H new ATOM 0 HB2 ARG A 53 56.470 -0.368 -9.166 1.00 0.79 H new ATOM 0 HB3 ARG A 53 55.930 1.193 -8.581 1.00 0.79 H new ATOM 0 HG2 ARG A 53 55.454 1.920 -10.696 1.00 1.25 H new ATOM 0 HG3 ARG A 53 57.031 1.439 -11.291 1.00 1.25 H new ATOM 0 HD2 ARG A 53 56.243 -0.555 -12.122 1.00 1.83 H new ATOM 0 HD3 ARG A 53 55.295 -0.884 -10.685 1.00 1.83 H new ATOM 0 HE ARG A 53 53.862 1.201 -11.918 1.00 1.84 H new ATOM 0 HH11 ARG A 53 55.199 -1.891 -12.875 1.00 3.42 H new ATOM 0 HH12 ARG A 53 53.933 -2.209 -14.066 1.00 3.42 H new ATOM 0 HH21 ARG A 53 52.241 0.785 -13.437 1.00 2.87 H new ATOM 0 HH22 ARG A 53 52.274 -0.708 -14.381 1.00 2.87 H new ATOM 800 N LEU A 54 58.618 2.199 -6.983 1.00 0.55 N ATOM 801 CA LEU A 54 58.684 3.336 -6.027 1.00 0.66 C ATOM 802 C LEU A 54 60.151 3.656 -5.709 1.00 0.78 C ATOM 803 O LEU A 54 60.479 4.093 -4.624 1.00 1.17 O ATOM 804 CB LEU A 54 57.954 2.930 -4.744 1.00 0.81 C ATOM 805 CG LEU A 54 56.789 3.886 -4.483 1.00 1.49 C ATOM 806 CD1 LEU A 54 57.271 5.331 -4.621 1.00 2.55 C ATOM 807 CD2 LEU A 54 55.676 3.620 -5.500 1.00 1.94 C ATOM 0 H LEU A 54 59.023 1.327 -6.642 1.00 0.55 H new ATOM 0 HA LEU A 54 58.216 4.220 -6.460 1.00 0.66 H new ATOM 0 HB2 LEU A 54 57.584 1.908 -4.833 1.00 0.81 H new ATOM 0 HB3 LEU A 54 58.645 2.946 -3.901 1.00 0.81 H new ATOM 0 HG LEU A 54 56.408 3.727 -3.474 1.00 1.49 H new ATOM 0 HD11 LEU A 54 56.440 6.011 -4.435 1.00 2.55 H new ATOM 0 HD12 LEU A 54 58.064 5.521 -3.898 1.00 2.55 H new ATOM 0 HD13 LEU A 54 57.653 5.492 -5.629 1.00 2.55 H new ATOM 0 HD21 LEU A 54 54.845 4.300 -5.316 1.00 1.94 H new ATOM 0 HD22 LEU A 54 56.059 3.779 -6.508 1.00 1.94 H new ATOM 0 HD23 LEU A 54 55.331 2.591 -5.401 1.00 1.94 H new ATOM 819 N ARG A 55 61.038 3.436 -6.647 1.00 0.85 N ATOM 820 CA ARG A 55 62.485 3.720 -6.400 1.00 1.05 C ATOM 821 C ARG A 55 63.084 2.592 -5.557 1.00 0.85 C ATOM 822 O ARG A 55 62.796 2.465 -4.386 1.00 1.31 O ATOM 823 CB ARG A 55 62.629 5.045 -5.650 1.00 1.76 C ATOM 824 CG ARG A 55 63.936 5.724 -6.065 1.00 2.32 C ATOM 825 CD ARG A 55 63.619 7.046 -6.762 1.00 2.86 C ATOM 826 NE ARG A 55 64.885 7.772 -7.058 1.00 3.55 N ATOM 827 CZ ARG A 55 64.892 8.747 -7.929 1.00 3.82 C ATOM 828 NH1 ARG A 55 63.796 9.072 -8.560 1.00 3.63 N ATOM 829 NH2 ARG A 55 65.998 9.394 -8.171 1.00 4.65 N ATOM 0 H ARG A 55 60.822 3.071 -7.575 1.00 0.85 H new ATOM 0 HA ARG A 55 63.010 3.786 -7.353 1.00 1.05 H new ATOM 0 HB2 ARG A 55 61.782 5.695 -5.871 1.00 1.76 H new ATOM 0 HB3 ARG A 55 62.623 4.869 -4.574 1.00 1.76 H new ATOM 0 HG2 ARG A 55 64.561 5.902 -5.190 1.00 2.32 H new ATOM 0 HG3 ARG A 55 64.501 5.074 -6.733 1.00 2.32 H new ATOM 0 HD2 ARG A 55 63.071 6.859 -7.685 1.00 2.86 H new ATOM 0 HD3 ARG A 55 62.977 7.658 -6.128 1.00 2.86 H new ATOM 0 HE ARG A 55 65.747 7.508 -6.581 1.00 3.55 H new ATOM 0 HH11 ARG A 55 62.931 8.565 -8.374 1.00 3.63 H new ATOM 0 HH12 ARG A 55 63.805 9.833 -9.239 1.00 3.63 H new ATOM 0 HH21 ARG A 55 66.856 9.139 -7.681 1.00 4.65 H new ATOM 0 HH22 ARG A 55 66.006 10.155 -8.850 1.00 4.65 H new ATOM 843 N GLU A 56 63.909 1.765 -6.139 1.00 0.79 N ATOM 844 CA GLU A 56 64.501 0.643 -5.354 1.00 1.24 C ATOM 845 C GLU A 56 66.025 0.761 -5.289 1.00 0.70 C ATOM 846 O GLU A 56 66.633 1.568 -5.962 1.00 1.30 O ATOM 847 CB GLU A 56 64.103 -0.695 -5.994 1.00 2.40 C ATOM 848 CG GLU A 56 65.057 -1.048 -7.143 1.00 3.41 C ATOM 849 CD GLU A 56 65.019 0.053 -8.204 1.00 4.19 C ATOM 850 OE1 GLU A 56 64.069 0.078 -8.970 1.00 4.72 O ATOM 851 OE2 GLU A 56 65.940 0.854 -8.233 1.00 4.54 O ATOM 0 H GLU A 56 64.197 1.816 -7.116 1.00 0.79 H new ATOM 0 HA GLU A 56 64.116 0.691 -4.335 1.00 1.24 H new ATOM 0 HB2 GLU A 56 64.122 -1.484 -5.242 1.00 2.40 H new ATOM 0 HB3 GLU A 56 63.081 -0.636 -6.368 1.00 2.40 H new ATOM 0 HG2 GLU A 56 66.072 -1.164 -6.763 1.00 3.41 H new ATOM 0 HG3 GLU A 56 64.771 -2.002 -7.585 1.00 3.41 H new ATOM 858 N ASN A 57 66.634 -0.053 -4.468 1.00 0.72 N ATOM 859 CA ASN A 57 68.116 -0.031 -4.318 1.00 0.85 C ATOM 860 C ASN A 57 68.476 -0.701 -2.987 1.00 0.67 C ATOM 861 O ASN A 57 68.561 -1.910 -2.897 1.00 0.91 O ATOM 862 CB ASN A 57 68.620 1.416 -4.334 1.00 1.67 C ATOM 863 CG ASN A 57 69.173 1.746 -5.722 1.00 2.74 C ATOM 864 OD1 ASN A 57 69.820 0.924 -6.342 1.00 3.32 O ATOM 865 ND2 ASN A 57 68.944 2.921 -6.240 1.00 3.48 N ATOM 0 H ASN A 57 66.158 -0.743 -3.886 1.00 0.72 H new ATOM 0 HA ASN A 57 68.585 -0.567 -5.143 1.00 0.85 H new ATOM 0 HB2 ASN A 57 67.808 2.098 -4.082 1.00 1.67 H new ATOM 0 HB3 ASN A 57 69.395 1.551 -3.580 1.00 1.67 H new ATOM 0 HD21 ASN A 57 69.308 3.150 -7.165 1.00 3.48 H new ATOM 0 HD22 ASN A 57 68.401 3.611 -5.720 1.00 3.48 H new ATOM 872 N GLU A 58 68.684 0.067 -1.951 1.00 0.60 N ATOM 873 CA GLU A 58 69.029 -0.527 -0.639 1.00 0.69 C ATOM 874 C GLU A 58 68.142 0.094 0.441 1.00 0.63 C ATOM 875 O GLU A 58 68.605 0.483 1.495 1.00 0.80 O ATOM 876 CB GLU A 58 70.486 -0.210 -0.350 1.00 0.93 C ATOM 877 CG GLU A 58 71.041 -1.201 0.675 1.00 1.20 C ATOM 878 CD GLU A 58 72.390 -1.736 0.191 1.00 1.35 C ATOM 879 OE1 GLU A 58 73.393 -1.102 0.476 1.00 1.95 O ATOM 880 OE2 GLU A 58 72.397 -2.771 -0.455 1.00 1.71 O ATOM 0 H GLU A 58 68.628 1.085 -1.963 1.00 0.60 H new ATOM 0 HA GLU A 58 68.874 -1.606 -0.650 1.00 0.69 H new ATOM 0 HB2 GLU A 58 71.068 -0.261 -1.270 1.00 0.93 H new ATOM 0 HB3 GLU A 58 70.578 0.808 0.029 1.00 0.93 H new ATOM 0 HG2 GLU A 58 71.158 -0.712 1.642 1.00 1.20 H new ATOM 0 HG3 GLU A 58 70.341 -2.024 0.816 1.00 1.20 H new ATOM 887 N LEU A 59 66.871 0.198 0.177 1.00 0.50 N ATOM 888 CA LEU A 59 65.945 0.805 1.172 1.00 0.49 C ATOM 889 C LEU A 59 65.702 -0.157 2.335 1.00 0.39 C ATOM 890 O LEU A 59 66.528 -0.985 2.665 1.00 0.40 O ATOM 891 CB LEU A 59 64.617 1.175 0.484 1.00 0.60 C ATOM 892 CG LEU A 59 63.752 -0.067 0.234 1.00 1.04 C ATOM 893 CD1 LEU A 59 62.375 0.374 -0.268 1.00 1.61 C ATOM 894 CD2 LEU A 59 64.410 -0.955 -0.823 1.00 1.78 C ATOM 0 H LEU A 59 66.431 -0.113 -0.689 1.00 0.50 H new ATOM 0 HA LEU A 59 66.398 1.711 1.575 1.00 0.49 H new ATOM 0 HB2 LEU A 59 64.069 1.883 1.105 1.00 0.60 H new ATOM 0 HB3 LEU A 59 64.823 1.674 -0.463 1.00 0.60 H new ATOM 0 HG LEU A 59 63.650 -0.628 1.163 1.00 1.04 H new ATOM 0 HD11 LEU A 59 61.755 -0.504 -0.448 1.00 1.61 H new ATOM 0 HD12 LEU A 59 61.900 1.006 0.482 1.00 1.61 H new ATOM 0 HD13 LEU A 59 62.488 0.934 -1.196 1.00 1.61 H new ATOM 0 HD21 LEU A 59 63.791 -1.835 -0.996 1.00 1.78 H new ATOM 0 HD22 LEU A 59 64.515 -0.397 -1.753 1.00 1.78 H new ATOM 0 HD23 LEU A 59 65.395 -1.267 -0.474 1.00 1.78 H new ATOM 906 N THR A 60 64.570 -0.036 2.953 1.00 0.35 N ATOM 907 CA THR A 60 64.215 -0.906 4.104 1.00 0.34 C ATOM 908 C THR A 60 62.706 -0.817 4.255 1.00 0.33 C ATOM 909 O THR A 60 62.183 -0.173 5.143 1.00 0.35 O ATOM 910 CB THR A 60 64.902 -0.402 5.375 1.00 0.37 C ATOM 911 OG1 THR A 60 66.092 0.291 5.025 1.00 0.83 O ATOM 912 CG2 THR A 60 65.246 -1.591 6.273 1.00 1.02 C ATOM 0 H THR A 60 63.855 0.647 2.704 1.00 0.35 H new ATOM 0 HA THR A 60 64.538 -1.934 3.940 1.00 0.34 H new ATOM 0 HB THR A 60 64.233 0.273 5.909 1.00 0.37 H new ATOM 0 HG1 THR A 60 66.533 0.616 5.838 1.00 0.83 H new ATOM 0 HG21 THR A 60 65.736 -1.233 7.179 1.00 1.02 H new ATOM 0 HG22 THR A 60 64.332 -2.122 6.540 1.00 1.02 H new ATOM 0 HG23 THR A 60 65.916 -2.267 5.741 1.00 1.02 H new ATOM 920 N TYR A 61 62.014 -1.420 3.343 1.00 0.38 N ATOM 921 CA TYR A 61 60.535 -1.351 3.340 1.00 0.42 C ATOM 922 C TYR A 61 59.930 -2.469 4.191 1.00 0.37 C ATOM 923 O TYR A 61 60.461 -3.557 4.296 1.00 0.51 O ATOM 924 CB TYR A 61 60.082 -1.524 1.898 1.00 0.49 C ATOM 925 CG TYR A 61 60.656 -2.820 1.394 1.00 0.51 C ATOM 926 CD1 TYR A 61 60.047 -4.019 1.757 1.00 0.68 C ATOM 927 CD2 TYR A 61 61.800 -2.825 0.584 1.00 0.57 C ATOM 928 CE1 TYR A 61 60.571 -5.236 1.314 1.00 0.85 C ATOM 929 CE2 TYR A 61 62.329 -4.046 0.139 1.00 0.67 C ATOM 930 CZ TYR A 61 61.712 -5.252 0.504 1.00 0.81 C ATOM 931 OH TYR A 61 62.232 -6.457 0.075 1.00 1.01 O ATOM 0 H TYR A 61 62.417 -1.969 2.584 1.00 0.38 H new ATOM 0 HA TYR A 61 60.208 -0.398 3.756 1.00 0.42 H new ATOM 0 HB2 TYR A 61 58.994 -1.538 1.837 1.00 0.49 H new ATOM 0 HB3 TYR A 61 60.425 -0.690 1.286 1.00 0.49 H new ATOM 0 HD1 TYR A 61 59.167 -4.008 2.383 1.00 0.68 H new ATOM 0 HD2 TYR A 61 62.271 -1.895 0.304 1.00 0.57 H new ATOM 0 HE1 TYR A 61 60.096 -6.164 1.596 1.00 0.85 H new ATOM 0 HE2 TYR A 61 63.211 -4.057 -0.484 1.00 0.67 H new ATOM 0 HH TYR A 61 63.173 -6.338 -0.172 1.00 1.01 H new ATOM 941 N TYR A 62 58.802 -2.194 4.782 1.00 0.62 N ATOM 942 CA TYR A 62 58.103 -3.201 5.620 1.00 0.65 C ATOM 943 C TYR A 62 56.680 -3.345 5.071 1.00 0.62 C ATOM 944 O TYR A 62 55.875 -2.441 5.173 1.00 0.78 O ATOM 945 CB TYR A 62 58.075 -2.701 7.070 1.00 0.90 C ATOM 946 CG TYR A 62 56.961 -3.374 7.832 1.00 0.74 C ATOM 947 CD1 TYR A 62 57.042 -4.739 8.123 1.00 1.44 C ATOM 948 CD2 TYR A 62 55.850 -2.631 8.247 1.00 1.58 C ATOM 949 CE1 TYR A 62 56.010 -5.366 8.830 1.00 2.15 C ATOM 950 CE2 TYR A 62 54.817 -3.257 8.954 1.00 2.21 C ATOM 951 CZ TYR A 62 54.897 -4.625 9.246 1.00 2.34 C ATOM 952 OH TYR A 62 53.878 -5.242 9.942 1.00 3.24 O ATOM 0 H TYR A 62 58.327 -1.294 4.717 1.00 0.62 H new ATOM 0 HA TYR A 62 58.608 -4.166 5.596 1.00 0.65 H new ATOM 0 HB2 TYR A 62 59.031 -2.907 7.552 1.00 0.90 H new ATOM 0 HB3 TYR A 62 57.936 -1.620 7.087 1.00 0.90 H new ATOM 0 HD1 TYR A 62 57.901 -5.310 7.802 1.00 1.44 H new ATOM 0 HD2 TYR A 62 55.790 -1.576 8.022 1.00 1.58 H new ATOM 0 HE1 TYR A 62 56.072 -6.421 9.055 1.00 2.15 H new ATOM 0 HE2 TYR A 62 53.958 -2.686 9.274 1.00 2.21 H new ATOM 0 HH TYR A 62 53.183 -4.585 10.155 1.00 3.24 H new ATOM 962 N CYS A 63 56.371 -4.453 4.454 1.00 0.69 N ATOM 963 CA CYS A 63 55.010 -4.613 3.868 1.00 0.71 C ATOM 964 C CYS A 63 54.132 -5.516 4.738 1.00 0.65 C ATOM 965 O CYS A 63 54.418 -6.680 4.934 1.00 0.84 O ATOM 966 CB CYS A 63 55.134 -5.226 2.470 1.00 0.95 C ATOM 967 SG CYS A 63 55.848 -6.887 2.593 1.00 1.45 S ATOM 0 H CYS A 63 56.997 -5.249 4.331 1.00 0.69 H new ATOM 0 HA CYS A 63 54.542 -3.630 3.814 1.00 0.71 H new ATOM 0 HB2 CYS A 63 54.154 -5.275 1.996 1.00 0.95 H new ATOM 0 HB3 CYS A 63 55.762 -4.596 1.840 1.00 0.95 H new ATOM 972 N CYS A 64 53.039 -4.990 5.226 1.00 0.56 N ATOM 973 CA CYS A 64 52.108 -5.819 6.044 1.00 0.67 C ATOM 974 C CYS A 64 51.003 -6.327 5.115 1.00 0.69 C ATOM 975 O CYS A 64 50.874 -5.876 3.994 1.00 0.96 O ATOM 976 CB CYS A 64 51.470 -5.005 7.191 1.00 0.86 C ATOM 977 SG CYS A 64 52.161 -3.328 7.290 1.00 1.31 S ATOM 0 H CYS A 64 52.751 -4.021 5.093 1.00 0.56 H new ATOM 0 HA CYS A 64 52.666 -6.640 6.495 1.00 0.67 H new ATOM 0 HB2 CYS A 64 50.392 -4.946 7.040 1.00 0.86 H new ATOM 0 HB3 CYS A 64 51.631 -5.521 8.137 1.00 0.86 H new ATOM 982 N LYS A 65 50.203 -7.253 5.560 1.00 0.75 N ATOM 983 CA LYS A 65 49.113 -7.769 4.687 1.00 1.04 C ATOM 984 C LYS A 65 47.952 -8.229 5.561 1.00 0.93 C ATOM 985 O LYS A 65 47.538 -9.371 5.526 1.00 1.39 O ATOM 986 CB LYS A 65 49.629 -8.936 3.845 1.00 1.55 C ATOM 987 CG LYS A 65 49.226 -8.713 2.387 1.00 2.12 C ATOM 988 CD LYS A 65 48.432 -9.923 1.891 1.00 2.45 C ATOM 989 CE LYS A 65 47.247 -9.449 1.045 1.00 2.61 C ATOM 990 NZ LYS A 65 45.976 -9.759 1.757 1.00 3.33 N ATOM 0 H LYS A 65 50.256 -7.674 6.487 1.00 0.75 H new ATOM 0 HA LYS A 65 48.774 -6.979 4.017 1.00 1.04 H new ATOM 0 HB2 LYS A 65 50.713 -9.011 3.929 1.00 1.55 H new ATOM 0 HB3 LYS A 65 49.216 -9.876 4.211 1.00 1.55 H new ATOM 0 HG2 LYS A 65 48.625 -7.808 2.298 1.00 2.12 H new ATOM 0 HG3 LYS A 65 50.113 -8.568 1.771 1.00 2.12 H new ATOM 0 HD2 LYS A 65 49.075 -10.575 1.301 1.00 2.45 H new ATOM 0 HD3 LYS A 65 48.076 -10.509 2.738 1.00 2.45 H new ATOM 0 HE2 LYS A 65 47.322 -8.377 0.862 1.00 2.61 H new ATOM 0 HE3 LYS A 65 47.261 -9.940 0.072 1.00 2.61 H new ATOM 0 HZ1 LYS A 65 45.170 -9.563 1.130 1.00 3.33 H new ATOM 0 HZ2 LYS A 65 45.967 -10.763 2.030 1.00 3.33 H new ATOM 0 HZ3 LYS A 65 45.903 -9.168 2.609 1.00 3.33 H new ATOM 1004 N LYS A 66 47.434 -7.340 6.352 1.00 0.55 N ATOM 1005 CA LYS A 66 46.300 -7.700 7.252 1.00 0.68 C ATOM 1006 C LYS A 66 45.341 -6.513 7.364 1.00 0.79 C ATOM 1007 O LYS A 66 44.137 -6.662 7.306 1.00 0.98 O ATOM 1008 CB LYS A 66 46.852 -8.037 8.640 1.00 0.78 C ATOM 1009 CG LYS A 66 46.203 -9.322 9.158 1.00 1.23 C ATOM 1010 CD LYS A 66 47.037 -9.884 10.312 1.00 1.69 C ATOM 1011 CE LYS A 66 46.227 -10.946 11.057 1.00 2.06 C ATOM 1012 NZ LYS A 66 46.669 -12.302 10.626 1.00 2.47 N ATOM 0 H LYS A 66 47.746 -6.371 6.418 1.00 0.55 H new ATOM 0 HA LYS A 66 45.767 -8.560 6.846 1.00 0.68 H new ATOM 0 HB2 LYS A 66 47.934 -8.159 8.591 1.00 0.78 H new ATOM 0 HB3 LYS A 66 46.655 -7.216 9.329 1.00 0.78 H new ATOM 0 HG2 LYS A 66 45.186 -9.119 9.495 1.00 1.23 H new ATOM 0 HG3 LYS A 66 46.132 -10.056 8.355 1.00 1.23 H new ATOM 0 HD2 LYS A 66 47.961 -10.318 9.929 1.00 1.69 H new ATOM 0 HD3 LYS A 66 47.320 -9.082 10.994 1.00 1.69 H new ATOM 0 HE2 LYS A 66 46.362 -10.833 12.133 1.00 2.06 H new ATOM 0 HE3 LYS A 66 45.164 -10.817 10.854 1.00 2.06 H new ATOM 0 HZ1 LYS A 66 46.118 -13.024 11.133 1.00 2.47 H new ATOM 0 HZ2 LYS A 66 46.519 -12.407 9.602 1.00 2.47 H new ATOM 0 HZ3 LYS A 66 47.679 -12.423 10.842 1.00 2.47 H new ATOM 1026 N ASP A 67 45.872 -5.336 7.529 1.00 0.91 N ATOM 1027 CA ASP A 67 45.011 -4.128 7.654 1.00 1.10 C ATOM 1028 C ASP A 67 45.913 -2.902 7.701 1.00 0.93 C ATOM 1029 O ASP A 67 47.071 -2.969 7.340 1.00 1.64 O ATOM 1030 CB ASP A 67 44.188 -4.222 8.942 1.00 1.75 C ATOM 1031 CG ASP A 67 42.764 -3.727 8.679 1.00 2.42 C ATOM 1032 OD1 ASP A 67 42.556 -2.526 8.729 1.00 3.09 O ATOM 1033 OD2 ASP A 67 41.905 -4.559 8.435 1.00 2.92 O ATOM 0 H ASP A 67 46.875 -5.157 7.583 1.00 0.91 H new ATOM 0 HA ASP A 67 44.330 -4.055 6.806 1.00 1.10 H new ATOM 0 HB2 ASP A 67 44.166 -5.252 9.297 1.00 1.75 H new ATOM 0 HB3 ASP A 67 44.652 -3.625 9.727 1.00 1.75 H new ATOM 1038 N LEU A 68 45.403 -1.783 8.132 1.00 0.78 N ATOM 1039 CA LEU A 68 46.258 -0.564 8.188 1.00 0.95 C ATOM 1040 C LEU A 68 47.633 -0.949 8.760 1.00 1.17 C ATOM 1041 O LEU A 68 48.643 -0.351 8.446 1.00 1.88 O ATOM 1042 CB LEU A 68 45.576 0.531 9.026 1.00 1.29 C ATOM 1043 CG LEU A 68 45.477 0.125 10.500 1.00 1.27 C ATOM 1044 CD1 LEU A 68 44.864 1.277 11.299 1.00 1.63 C ATOM 1045 CD2 LEU A 68 44.585 -1.109 10.643 1.00 1.93 C ATOM 0 H LEU A 68 44.440 -1.659 8.445 1.00 0.78 H new ATOM 0 HA LEU A 68 46.398 -0.158 7.186 1.00 0.95 H new ATOM 0 HB2 LEU A 68 46.138 1.461 8.940 1.00 1.29 H new ATOM 0 HB3 LEU A 68 44.578 0.724 8.632 1.00 1.29 H new ATOM 0 HG LEU A 68 46.474 -0.104 10.876 1.00 1.27 H new ATOM 0 HD11 LEU A 68 44.791 0.993 12.349 1.00 1.63 H new ATOM 0 HD12 LEU A 68 45.495 2.161 11.205 1.00 1.63 H new ATOM 0 HD13 LEU A 68 43.869 1.498 10.913 1.00 1.63 H new ATOM 0 HD21 LEU A 68 44.520 -1.391 11.694 1.00 1.93 H new ATOM 0 HD22 LEU A 68 43.588 -0.883 10.266 1.00 1.93 H new ATOM 0 HD23 LEU A 68 45.011 -1.934 10.072 1.00 1.93 H new ATOM 1057 N CYS A 69 47.668 -1.976 9.565 1.00 0.99 N ATOM 1058 CA CYS A 69 48.953 -2.473 10.144 1.00 1.14 C ATOM 1059 C CYS A 69 49.801 -1.308 10.642 1.00 1.34 C ATOM 1060 O CYS A 69 51.013 -1.326 10.565 1.00 1.59 O ATOM 1061 CB CYS A 69 49.715 -3.286 9.082 1.00 1.06 C ATOM 1062 SG CYS A 69 50.626 -2.191 7.959 1.00 1.11 S ATOM 0 H CYS A 69 46.844 -2.503 9.853 1.00 0.99 H new ATOM 0 HA CYS A 69 48.736 -3.118 10.996 1.00 1.14 H new ATOM 0 HB2 CYS A 69 50.408 -3.971 9.571 1.00 1.06 H new ATOM 0 HB3 CYS A 69 49.013 -3.896 8.512 1.00 1.06 H new ATOM 1067 N ASN A 70 49.171 -0.303 11.164 1.00 1.55 N ATOM 1068 CA ASN A 70 49.939 0.862 11.690 1.00 1.81 C ATOM 1069 C ASN A 70 49.152 1.532 12.819 1.00 2.21 C ATOM 1070 O ASN A 70 48.319 2.370 12.515 1.00 2.92 O ATOM 1071 CB ASN A 70 50.188 1.869 10.569 1.00 2.13 C ATOM 1072 CG ASN A 70 51.672 2.239 10.534 1.00 2.91 C ATOM 1073 OD1 ASN A 70 52.527 1.385 10.660 1.00 3.39 O ATOM 1074 ND2 ASN A 70 52.016 3.486 10.365 1.00 3.68 N ATOM 1075 OXT ASN A 70 49.398 1.199 13.966 1.00 2.22 O ATOM 0 H ASN A 70 48.157 -0.232 11.252 1.00 1.55 H new ATOM 0 HA ASN A 70 50.897 0.513 12.076 1.00 1.81 H new ATOM 0 HB2 ASN A 70 49.886 1.445 9.611 1.00 2.13 H new ATOM 0 HB3 ASN A 70 49.583 2.762 10.727 1.00 2.13 H new ATOM 0 HD21 ASN A 70 53.003 3.744 10.339 1.00 3.68 H new ATOM 0 HD22 ASN A 70 51.298 4.203 10.259 1.00 3.68 H new TER 1082 ASN A 70 CONECT 44 349 CONECT 89 177 CONECT 177 89 CONECT 263 559 CONECT 349 44 CONECT 559 263 CONECT 667 967 CONECT 967 667 CONECT 977 1062 CONECT 1062 977 END