USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) HEADER PROTEIN BINDING 10-APR-03 1P0R TITLE SOLUTION STRUCTURE OF UBL5 A HUMAN UBIQUITIN-LIKE PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-LIKE 5; 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; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS UBIQUITIN-LIKE FOLD, PROTEIN BINDING EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.MCNALLY,Q.HUANG,R.S.JANIS,Z.LIU,E.T.OLEJNICZAK,R.M.REILLY REVDAT 2 24-FEB-09 1P0R 1 VERSN REVDAT 1 28-OCT-03 1P0R 0 JRNL AUTH T.MCNALLY,Q.HUANG,R.S.JANIS,Z.LIU,E.T.OLEJNICZAK, JRNL AUTH 2 R.M.REILLY JRNL TITL STRUCTURAL ANALYSIS OF UBL5, A NOVEL JRNL TITL 2 UBIQUITIN-LIKE MODIFIER JRNL REF PROTEIN SCI. V. 12 1562 2003 JRNL REFN ISSN 0961-8368 JRNL PMID 12824502 JRNL DOI 10.1110/PS.0382803 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNX 2000 REMARK 3 AUTHORS : BRUNGER, A.T. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BASED ON 952 NMR-DERIVED DISTANCE REMARK 3 AND TORSION ANGLE RESTRAINTS. REMARK 4 REMARK 4 1P0R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-03. REMARK 100 THE RCSB ID CODE IS RCSB018874. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5.7 REMARK 210 IONIC STRENGTH : 50MM SODIUM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : .5MM UBL5 U-15N,13C 50MM REMARK 210 SODIUM PHOSPHATE (PH 5.7), 2MM REMARK 210 DTT; 1.0MM UBL5 U-15N,13C 50MM REMARK 210 SODIUM PHOSPHATE (PH 5.7), 2MM REMARK 210 DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A -19 REMARK 465 GLY A -18 REMARK 465 SER A -17 REMARK 465 SER A -16 REMARK 465 HIS A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 HIS A -11 REMARK 465 HIS A -10 REMARK 465 SER A -9 REMARK 465 SER A -8 REMARK 465 GLY A -7 REMARK 465 LEU A -6 REMARK 465 VAL A -5 REMARK 465 PRO A -4 REMARK 465 ARG A -3 REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 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 CYS A 18 -149.45 -145.96 REMARK 500 ALA A 33 42.19 -95.11 REMARK 500 GLN A 34 -57.56 -151.91 REMARK 500 ARG A 38 176.71 63.42 REMARK 500 ASN A 40 -58.28 -120.96 REMARK 500 TRP A 47 -64.40 74.82 REMARK 500 TYR A 48 67.09 171.94 REMARK 500 SER A 56 61.30 -154.37 REMARK 500 GLU A 61 84.45 51.70 REMARK 500 REMARK 500 REMARK: NULL DBREF 1P0R A 1 73 UNP Q9BZL1 UBL5_HUMAN 1 73 SEQADV 1P0R MET A -19 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R GLY A -18 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R SER A -17 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R SER A -16 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -15 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -14 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -13 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -12 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -11 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A -10 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R SER A -9 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R SER A -8 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R GLY A -7 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R LEU A -6 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R VAL A -5 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R PRO A -4 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R ARG A -3 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R GLY A -2 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R SER A -1 UNP Q9BZL1 EXPRESSION TAG SEQADV 1P0R HIS A 0 UNP Q9BZL1 EXPRESSION TAG SEQRES 1 A 93 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 93 LEU VAL PRO ARG GLY SER HIS MET ILE GLU VAL VAL CYS SEQRES 3 A 93 ASN ASP ARG LEU GLY LYS LYS VAL ARG VAL LYS CYS ASN SEQRES 4 A 93 THR ASP ASP THR ILE GLY ASP LEU LYS LYS LEU ILE ALA SEQRES 5 A 93 ALA GLN THR GLY THR ARG TRP ASN LYS ILE VAL LEU LYS SEQRES 6 A 93 LYS TRP TYR THR ILE PHE LYS ASP HIS VAL SER LEU GLY SEQRES 7 A 93 ASP TYR GLU ILE HIS ASP GLY MET ASN LEU GLU LEU TYR SEQRES 8 A 93 TYR GLN HELIX 1 1 THR A 23 ALA A 33 1 11 SHEET 1 A 4 LYS A 12 CYS A 18 0 SHEET 2 A 4 ILE A 2 ASP A 8 -1 N ASP A 8 O LYS A 12 SHEET 3 A 4 MET A 66 TYR A 71 1 O MET A 66 N VAL A 5 SHEET 4 A 4 VAL A 43 LYS A 45 -1 N VAL A 43 O TYR A 71 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.917 K(o=-3.8,f=-4.3) USER MOD Set 1.3: A 66 MET CE :methyl -179:sc= -2.88 (180deg=-2.96) USER MOD Set 2.1: A 37 THR OG1 : rot -179:sc= 0.0509 USER MOD Set 2.2: A 72 TYR OH : rot 154:sc= -0.214! USER MOD Set 3.1: A 7 ASN : amide:sc= -0.45 X(o=-0.033,f=0.4) USER MOD Set 3.2: A 13 LYS NZ :NH3+ -175:sc= 0.417 (180deg=0.401) USER MOD Single : A 1 MET CE :methyl 133:sc=-0.00296 (180deg=-1.31) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0341 (180deg=0) USER MOD Single : A 6 CYS SG : rot -150:sc= -4.41! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -4:sc= -2.87! USER MOD Single : A 19 ASN : amide:sc= 0.0468 K(o=0.047,f=-1.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 126:sc= 0.595 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.9) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 40 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.063) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00508) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 83:sc=0.000384 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.315 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 67 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.071) USER MOD Single : A 71 TYR OH : rot 141:sc= 0.244 USER MOD Single : A 73 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.806 125.215 -59.634 1.00 0.51 N ATOM 2 CA MET A 1 51.143 126.351 -60.270 1.00 0.39 C ATOM 3 C MET A 1 51.713 127.668 -59.749 1.00 0.37 C ATOM 4 O MET A 1 52.187 127.744 -58.617 1.00 0.43 O ATOM 5 CB MET A 1 49.632 126.291 -60.023 1.00 0.49 C ATOM 6 CG MET A 1 48.805 126.966 -61.103 1.00 0.82 C ATOM 7 SD MET A 1 48.915 126.123 -62.693 1.00 1.17 S ATOM 8 CE MET A 1 48.027 127.270 -63.742 1.00 1.12 C ATOM 0 H1 MET A 1 52.336 124.677 -60.349 1.00 0.51 H new ATOM 0 H2 MET A 1 52.462 125.560 -58.904 1.00 0.51 H new ATOM 0 H3 MET A 1 51.093 124.598 -59.195 1.00 0.51 H new ATOM 0 HA MET A 1 51.325 126.298 -61.343 1.00 0.39 H new ATOM 0 HB2 MET A 1 49.328 125.247 -59.945 1.00 0.49 H new ATOM 0 HB3 MET A 1 49.412 126.760 -59.064 1.00 0.49 H new ATOM 0 HG2 MET A 1 47.762 127.002 -60.787 1.00 0.82 H new ATOM 0 HG3 MET A 1 49.139 127.997 -61.219 1.00 0.82 H new ATOM 0 HE1 MET A 1 48.598 127.446 -64.654 1.00 1.12 H new ATOM 0 HE2 MET A 1 47.054 126.850 -63.998 1.00 1.12 H new ATOM 0 HE3 MET A 1 47.887 128.213 -63.214 1.00 1.12 H new ATOM 18 N ILE A 2 51.669 128.702 -60.582 1.00 0.32 N ATOM 19 CA ILE A 2 52.187 130.011 -60.201 1.00 0.33 C ATOM 20 C ILE A 2 51.344 131.137 -60.783 1.00 0.27 C ATOM 21 O ILE A 2 51.278 131.316 -61.997 1.00 0.28 O ATOM 22 CB ILE A 2 53.639 130.203 -60.667 1.00 0.40 C ATOM 23 CG1 ILE A 2 54.586 129.342 -59.830 1.00 0.49 C ATOM 24 CG2 ILE A 2 54.029 131.672 -60.587 1.00 0.43 C ATOM 25 CD1 ILE A 2 56.041 129.729 -59.975 1.00 0.72 C ATOM 0 H ILE A 2 51.281 128.659 -61.524 1.00 0.32 H new ATOM 0 HA ILE A 2 52.146 130.049 -59.112 1.00 0.33 H new ATOM 0 HB ILE A 2 53.719 129.884 -61.706 1.00 0.40 H new ATOM 0 HG12 ILE A 2 54.301 129.418 -58.781 1.00 0.49 H new ATOM 0 HG13 ILE A 2 54.466 128.298 -60.119 1.00 0.49 H new ATOM 0 HG21 ILE A 2 55.060 131.793 -60.920 1.00 0.43 H new ATOM 0 HG22 ILE A 2 53.370 132.259 -61.226 1.00 0.43 H new ATOM 0 HG23 ILE A 2 53.937 132.017 -59.557 1.00 0.43 H new ATOM 0 HD11 ILE A 2 56.655 129.077 -59.354 1.00 0.72 H new ATOM 0 HD12 ILE A 2 56.343 129.626 -61.017 1.00 0.72 H new ATOM 0 HD13 ILE A 2 56.176 130.763 -59.659 1.00 0.72 H new ATOM 37 N GLU A 3 50.715 131.906 -59.909 1.00 0.26 N ATOM 38 CA GLU A 3 49.890 133.026 -60.341 1.00 0.26 C ATOM 39 C GLU A 3 50.717 134.304 -60.399 1.00 0.35 C ATOM 40 O GLU A 3 51.583 134.535 -59.552 1.00 0.49 O ATOM 41 CB GLU A 3 48.696 133.205 -59.402 1.00 0.37 C ATOM 42 CG GLU A 3 48.573 134.606 -58.827 1.00 1.38 C ATOM 43 CD GLU A 3 47.414 134.738 -57.860 1.00 1.48 C ATOM 44 OE1 GLU A 3 47.505 134.181 -56.745 1.00 2.19 O ATOM 45 OE2 GLU A 3 46.415 135.397 -58.217 1.00 1.50 O ATOM 0 H GLU A 3 50.759 131.777 -58.898 1.00 0.26 H new ATOM 0 HA GLU A 3 49.513 132.812 -61.341 1.00 0.26 H new ATOM 0 HB2 GLU A 3 47.781 132.963 -59.942 1.00 0.37 H new ATOM 0 HB3 GLU A 3 48.780 132.492 -58.582 1.00 0.37 H new ATOM 0 HG2 GLU A 3 49.500 134.868 -58.316 1.00 1.38 H new ATOM 0 HG3 GLU A 3 48.445 135.319 -59.641 1.00 1.38 H new ATOM 52 N VAL A 4 50.454 135.127 -61.406 1.00 0.41 N ATOM 53 CA VAL A 4 51.181 136.377 -61.578 1.00 0.58 C ATOM 54 C VAL A 4 50.248 137.502 -62.006 1.00 0.49 C ATOM 55 O VAL A 4 49.669 137.467 -63.090 1.00 0.46 O ATOM 56 CB VAL A 4 52.310 136.233 -62.618 1.00 0.77 C ATOM 57 CG1 VAL A 4 53.442 135.379 -62.065 1.00 0.80 C ATOM 58 CG2 VAL A 4 51.776 135.644 -63.916 1.00 0.84 C ATOM 0 H VAL A 4 49.743 134.951 -62.116 1.00 0.41 H new ATOM 0 HA VAL A 4 51.619 136.623 -60.611 1.00 0.58 H new ATOM 0 HB VAL A 4 52.704 137.226 -62.833 1.00 0.77 H new ATOM 0 HG11 VAL A 4 54.229 135.289 -62.814 1.00 0.80 H new ATOM 0 HG12 VAL A 4 53.846 135.848 -61.168 1.00 0.80 H new ATOM 0 HG13 VAL A 4 53.062 134.388 -61.817 1.00 0.80 H new ATOM 0 HG21 VAL A 4 52.590 135.551 -64.635 1.00 0.84 H new ATOM 0 HG22 VAL A 4 51.350 134.660 -63.721 1.00 0.84 H new ATOM 0 HG23 VAL A 4 51.005 136.299 -64.323 1.00 0.84 H new ATOM 68 N VAL A 5 50.106 138.501 -61.145 1.00 0.48 N ATOM 69 CA VAL A 5 49.244 139.636 -61.434 1.00 0.42 C ATOM 70 C VAL A 5 49.977 140.677 -62.268 1.00 0.40 C ATOM 71 O VAL A 5 51.031 141.175 -61.874 1.00 0.65 O ATOM 72 CB VAL A 5 48.731 140.299 -60.144 1.00 0.53 C ATOM 73 CG1 VAL A 5 47.646 141.316 -60.459 1.00 0.63 C ATOM 74 CG2 VAL A 5 48.224 139.246 -59.170 1.00 0.64 C ATOM 0 H VAL A 5 50.577 138.547 -60.241 1.00 0.48 H new ATOM 0 HA VAL A 5 48.393 139.252 -61.996 1.00 0.42 H new ATOM 0 HB VAL A 5 49.560 140.827 -59.673 1.00 0.53 H new ATOM 0 HG11 VAL A 5 47.296 141.774 -59.534 1.00 0.63 H new ATOM 0 HG12 VAL A 5 48.050 142.087 -61.115 1.00 0.63 H new ATOM 0 HG13 VAL A 5 46.813 140.818 -60.954 1.00 0.63 H new ATOM 0 HG21 VAL A 5 47.865 139.732 -58.263 1.00 0.64 H new ATOM 0 HG22 VAL A 5 47.408 138.688 -59.630 1.00 0.64 H new ATOM 0 HG23 VAL A 5 49.035 138.563 -58.918 1.00 0.64 H new ATOM 84 N CYS A 6 49.413 140.996 -63.426 1.00 0.35 N ATOM 85 CA CYS A 6 50.011 141.975 -64.324 1.00 0.38 C ATOM 86 C CYS A 6 49.424 143.362 -64.092 1.00 0.30 C ATOM 87 O CYS A 6 48.463 143.762 -64.752 1.00 0.47 O ATOM 88 CB CYS A 6 49.800 141.555 -65.779 1.00 0.51 C ATOM 89 SG CYS A 6 51.273 140.865 -66.565 1.00 1.42 S ATOM 0 H CYS A 6 48.541 140.590 -63.766 1.00 0.35 H new ATOM 0 HA CYS A 6 51.080 142.017 -64.115 1.00 0.38 H new ATOM 0 HB2 CYS A 6 48.999 140.817 -65.821 1.00 0.51 H new ATOM 0 HB3 CYS A 6 49.467 142.420 -66.352 1.00 0.51 H new ATOM 0 HG CYS A 6 51.244 141.119 -67.840 1.00 1.42 H new ATOM 95 N ASN A 7 50.013 144.095 -63.155 1.00 0.36 N ATOM 96 CA ASN A 7 49.553 145.440 -62.844 1.00 0.33 C ATOM 97 C ASN A 7 49.937 146.403 -63.959 1.00 0.33 C ATOM 98 O ASN A 7 51.117 146.657 -64.192 1.00 0.47 O ATOM 99 CB ASN A 7 50.146 145.918 -61.518 1.00 0.37 C ATOM 100 CG ASN A 7 50.294 147.428 -61.464 1.00 1.08 C ATOM 101 OD1 ASN A 7 51.402 147.951 -61.346 1.00 1.85 O ATOM 102 ND2 ASN A 7 49.175 148.136 -61.555 1.00 1.80 N ATOM 0 H ASN A 7 50.808 143.780 -62.599 1.00 0.36 H new ATOM 0 HA ASN A 7 48.467 145.416 -62.754 1.00 0.33 H new ATOM 0 HB2 ASN A 7 49.509 145.588 -60.698 1.00 0.37 H new ATOM 0 HB3 ASN A 7 51.121 145.454 -61.370 1.00 0.37 H new ATOM 0 HD21 ASN A 7 49.213 149.155 -61.528 1.00 1.80 H new ATOM 0 HD22 ASN A 7 48.277 147.661 -61.652 1.00 1.80 H new ATOM 109 N ASP A 8 48.934 146.941 -64.639 1.00 0.38 N ATOM 110 CA ASP A 8 49.169 147.879 -65.722 1.00 0.42 C ATOM 111 C ASP A 8 49.365 149.277 -65.164 1.00 0.38 C ATOM 112 O ASP A 8 48.406 150.021 -64.964 1.00 0.50 O ATOM 113 CB ASP A 8 48.008 147.863 -66.718 1.00 0.58 C ATOM 114 CG ASP A 8 47.532 146.458 -67.033 1.00 1.16 C ATOM 115 OD1 ASP A 8 46.690 145.933 -66.278 1.00 1.98 O ATOM 116 OD2 ASP A 8 48.004 145.882 -68.032 1.00 1.79 O ATOM 0 H ASP A 8 47.950 146.742 -64.458 1.00 0.38 H new ATOM 0 HA ASP A 8 50.073 147.577 -66.250 1.00 0.42 H new ATOM 0 HB2 ASP A 8 47.178 148.442 -66.313 1.00 0.58 H new ATOM 0 HB3 ASP A 8 48.318 148.353 -67.641 1.00 0.58 H new ATOM 121 N ARG A 9 50.621 149.620 -64.912 1.00 0.32 N ATOM 122 CA ARG A 9 50.970 150.925 -64.374 1.00 0.41 C ATOM 123 C ARG A 9 50.401 152.043 -65.242 1.00 0.40 C ATOM 124 O ARG A 9 50.061 153.115 -64.741 1.00 0.46 O ATOM 125 CB ARG A 9 52.488 151.045 -64.272 1.00 0.54 C ATOM 126 CG ARG A 9 52.959 152.281 -63.524 1.00 0.71 C ATOM 127 CD ARG A 9 53.419 151.939 -62.116 1.00 1.01 C ATOM 128 NE ARG A 9 53.486 153.122 -61.261 1.00 1.27 N ATOM 129 CZ ARG A 9 54.486 154.002 -61.287 1.00 1.74 C ATOM 130 NH1 ARG A 9 55.499 153.846 -62.133 1.00 2.38 N ATOM 131 NH2 ARG A 9 54.471 155.044 -60.468 1.00 2.02 N ATOM 0 H ARG A 9 51.420 149.006 -65.074 1.00 0.32 H new ATOM 0 HA ARG A 9 50.535 151.023 -63.379 1.00 0.41 H new ATOM 0 HB2 ARG A 9 52.880 150.159 -63.773 1.00 0.54 H new ATOM 0 HB3 ARG A 9 52.910 151.058 -65.277 1.00 0.54 H new ATOM 0 HG2 ARG A 9 53.777 152.749 -64.071 1.00 0.71 H new ATOM 0 HG3 ARG A 9 52.149 153.009 -63.477 1.00 0.71 H new ATOM 0 HD2 ARG A 9 52.735 151.213 -61.677 1.00 1.01 H new ATOM 0 HD3 ARG A 9 54.400 151.467 -62.160 1.00 1.01 H new ATOM 0 HE ARG A 9 52.722 153.284 -60.605 1.00 1.27 H new ATOM 0 HH11 ARG A 9 55.515 153.048 -62.768 1.00 2.38 H new ATOM 0 HH12 ARG A 9 56.261 154.524 -62.147 1.00 2.38 H new ATOM 0 HH21 ARG A 9 53.695 155.171 -59.819 1.00 2.02 H new ATOM 0 HH22 ARG A 9 55.236 155.718 -60.487 1.00 2.02 H new ATOM 145 N LEU A 10 50.283 151.780 -66.544 1.00 0.44 N ATOM 146 CA LEU A 10 49.736 152.758 -67.476 1.00 0.54 C ATOM 147 C LEU A 10 48.368 153.242 -66.998 1.00 0.91 C ATOM 148 O LEU A 10 48.083 154.439 -67.010 1.00 1.51 O ATOM 149 CB LEU A 10 49.619 152.148 -68.875 1.00 0.91 C ATOM 150 CG LEU A 10 48.586 152.808 -69.792 1.00 1.53 C ATOM 151 CD1 LEU A 10 49.149 152.981 -71.194 1.00 2.18 C ATOM 152 CD2 LEU A 10 47.304 151.990 -69.829 1.00 2.20 C ATOM 0 H LEU A 10 50.560 150.897 -66.974 1.00 0.44 H new ATOM 0 HA LEU A 10 50.412 153.612 -67.519 1.00 0.54 H new ATOM 0 HB2 LEU A 10 50.595 152.199 -69.358 1.00 0.91 H new ATOM 0 HB3 LEU A 10 49.368 151.092 -68.773 1.00 0.91 H new ATOM 0 HG LEU A 10 48.353 153.794 -69.391 1.00 1.53 H new ATOM 0 HD11 LEU A 10 48.400 153.452 -71.831 1.00 2.18 H new ATOM 0 HD12 LEU A 10 50.038 153.610 -71.154 1.00 2.18 H new ATOM 0 HD13 LEU A 10 49.412 152.006 -71.603 1.00 2.18 H new ATOM 0 HD21 LEU A 10 46.582 152.475 -70.486 1.00 2.20 H new ATOM 0 HD22 LEU A 10 47.521 150.990 -70.204 1.00 2.20 H new ATOM 0 HD23 LEU A 10 46.889 151.918 -68.824 1.00 2.20 H new ATOM 164 N GLY A 11 47.528 152.302 -66.570 1.00 0.72 N ATOM 165 CA GLY A 11 46.206 152.654 -66.087 1.00 1.17 C ATOM 166 C GLY A 11 45.203 151.528 -66.251 1.00 0.77 C ATOM 167 O GLY A 11 44.187 151.693 -66.925 1.00 0.73 O ATOM 0 H GLY A 11 47.740 151.305 -66.550 1.00 0.72 H new ATOM 0 HA2 GLY A 11 46.270 152.928 -65.034 1.00 1.17 H new ATOM 0 HA3 GLY A 11 45.850 153.533 -66.624 1.00 1.17 H new ATOM 171 N LYS A 12 45.485 150.384 -65.632 1.00 0.71 N ATOM 172 CA LYS A 12 44.595 149.229 -65.715 1.00 0.54 C ATOM 173 C LYS A 12 45.079 148.098 -64.812 1.00 0.49 C ATOM 174 O LYS A 12 46.200 148.133 -64.307 1.00 0.61 O ATOM 175 CB LYS A 12 44.504 148.736 -67.162 1.00 0.79 C ATOM 176 CG LYS A 12 43.101 148.329 -67.581 1.00 1.22 C ATOM 177 CD LYS A 12 42.154 149.517 -67.585 1.00 1.59 C ATOM 178 CE LYS A 12 40.703 149.071 -67.533 1.00 1.94 C ATOM 179 NZ LYS A 12 40.083 149.046 -68.886 1.00 2.34 N ATOM 0 H LYS A 12 46.321 150.232 -65.068 1.00 0.71 H new ATOM 0 HA LYS A 12 43.606 149.539 -65.377 1.00 0.54 H new ATOM 0 HB2 LYS A 12 44.859 149.523 -67.828 1.00 0.79 H new ATOM 0 HB3 LYS A 12 45.173 147.885 -67.289 1.00 0.79 H new ATOM 0 HG2 LYS A 12 43.132 147.884 -68.575 1.00 1.22 H new ATOM 0 HG3 LYS A 12 42.725 147.565 -66.901 1.00 1.22 H new ATOM 0 HD2 LYS A 12 42.370 150.159 -66.731 1.00 1.59 H new ATOM 0 HD3 LYS A 12 42.321 150.114 -68.482 1.00 1.59 H new ATOM 0 HE2 LYS A 12 40.644 148.078 -67.088 1.00 1.94 H new ATOM 0 HE3 LYS A 12 40.139 149.744 -66.887 1.00 1.94 H new ATOM 0 HZ1 LYS A 12 39.093 148.737 -68.809 1.00 2.34 H new ATOM 0 HZ2 LYS A 12 40.116 149.999 -69.301 1.00 2.34 H new ATOM 0 HZ3 LYS A 12 40.606 148.385 -69.495 1.00 2.34 H new ATOM 193 N LYS A 13 44.228 147.093 -64.620 1.00 0.50 N ATOM 194 CA LYS A 13 44.565 145.943 -63.785 1.00 0.53 C ATOM 195 C LYS A 13 44.167 144.644 -64.480 1.00 0.57 C ATOM 196 O LYS A 13 42.982 144.374 -64.677 1.00 0.74 O ATOM 197 CB LYS A 13 43.864 146.043 -62.427 1.00 0.66 C ATOM 198 CG LYS A 13 44.822 146.136 -61.249 1.00 0.88 C ATOM 199 CD LYS A 13 45.794 147.293 -61.407 1.00 0.78 C ATOM 200 CE LYS A 13 45.067 148.618 -61.565 1.00 1.21 C ATOM 201 NZ LYS A 13 45.999 149.726 -61.911 1.00 1.25 N ATOM 0 H LYS A 13 43.296 147.052 -65.033 1.00 0.50 H new ATOM 0 HA LYS A 13 45.643 145.941 -63.625 1.00 0.53 H new ATOM 0 HB2 LYS A 13 43.216 146.919 -62.427 1.00 0.66 H new ATOM 0 HB3 LYS A 13 43.223 145.172 -62.294 1.00 0.66 H new ATOM 0 HG2 LYS A 13 44.254 146.261 -60.327 1.00 0.88 H new ATOM 0 HG3 LYS A 13 45.378 145.203 -61.157 1.00 0.88 H new ATOM 0 HD2 LYS A 13 46.450 147.339 -60.538 1.00 0.78 H new ATOM 0 HD3 LYS A 13 46.428 147.120 -62.276 1.00 0.78 H new ATOM 0 HE2 LYS A 13 44.309 148.525 -62.343 1.00 1.21 H new ATOM 0 HE3 LYS A 13 44.546 148.858 -60.639 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 45.478 150.626 -61.927 1.00 1.25 H new ATOM 0 HZ2 LYS A 13 46.757 149.777 -61.200 1.00 1.25 H new ATOM 0 HZ3 LYS A 13 46.414 149.550 -62.848 1.00 1.25 H new ATOM 215 N VAL A 14 45.163 143.846 -64.856 1.00 0.49 N ATOM 216 CA VAL A 14 44.915 142.579 -65.536 1.00 0.57 C ATOM 217 C VAL A 14 45.714 141.448 -64.900 1.00 0.51 C ATOM 218 O VAL A 14 46.924 141.346 -65.096 1.00 0.66 O ATOM 219 CB VAL A 14 45.276 142.661 -67.032 1.00 0.71 C ATOM 220 CG1 VAL A 14 45.055 141.318 -67.711 1.00 0.84 C ATOM 221 CG2 VAL A 14 44.467 143.752 -67.719 1.00 0.82 C ATOM 0 H VAL A 14 46.149 144.055 -64.701 1.00 0.49 H new ATOM 0 HA VAL A 14 43.849 142.373 -65.436 1.00 0.57 H new ATOM 0 HB VAL A 14 46.333 142.915 -67.117 1.00 0.71 H new ATOM 0 HG11 VAL A 14 45.315 141.397 -68.766 1.00 0.84 H new ATOM 0 HG12 VAL A 14 45.683 140.563 -67.238 1.00 0.84 H new ATOM 0 HG13 VAL A 14 44.008 141.030 -67.616 1.00 0.84 H new ATOM 0 HG21 VAL A 14 44.736 143.794 -68.774 1.00 0.82 H new ATOM 0 HG22 VAL A 14 43.404 143.531 -67.624 1.00 0.82 H new ATOM 0 HG23 VAL A 14 44.681 144.713 -67.251 1.00 0.82 H new ATOM 231 N ARG A 15 45.033 140.596 -64.143 1.00 0.48 N ATOM 232 CA ARG A 15 45.687 139.471 -63.486 1.00 0.43 C ATOM 233 C ARG A 15 45.863 138.309 -64.458 1.00 0.45 C ATOM 234 O ARG A 15 45.018 138.080 -65.323 1.00 0.57 O ATOM 235 CB ARG A 15 44.874 139.016 -62.274 1.00 0.47 C ATOM 236 CG ARG A 15 44.446 140.156 -61.366 1.00 0.52 C ATOM 237 CD ARG A 15 44.543 139.765 -59.901 1.00 0.60 C ATOM 238 NE ARG A 15 43.452 140.333 -59.113 1.00 0.99 N ATOM 239 CZ ARG A 15 43.056 139.854 -57.935 1.00 1.58 C ATOM 240 NH1 ARG A 15 43.665 138.805 -57.395 1.00 2.24 N ATOM 241 NH2 ARG A 15 42.049 140.430 -57.293 1.00 1.97 N ATOM 0 H ARG A 15 44.030 140.662 -63.969 1.00 0.48 H new ATOM 0 HA ARG A 15 46.671 139.798 -63.150 1.00 0.43 H new ATOM 0 HB2 ARG A 15 43.987 138.486 -62.620 1.00 0.47 H new ATOM 0 HB3 ARG A 15 45.465 138.305 -61.697 1.00 0.47 H new ATOM 0 HG2 ARG A 15 45.073 141.028 -61.554 1.00 0.52 H new ATOM 0 HG3 ARG A 15 43.421 140.444 -61.600 1.00 0.52 H new ATOM 0 HD2 ARG A 15 44.527 138.679 -59.813 1.00 0.60 H new ATOM 0 HD3 ARG A 15 45.497 140.103 -59.497 1.00 0.60 H new ATOM 0 HE ARG A 15 42.964 141.146 -59.488 1.00 0.99 H new ATOM 0 HH11 ARG A 15 44.442 138.360 -57.883 1.00 2.24 H new ATOM 0 HH12 ARG A 15 43.356 138.444 -56.492 1.00 2.24 H new ATOM 0 HH21 ARG A 15 41.579 141.238 -57.701 1.00 1.97 H new ATOM 0 HH22 ARG A 15 41.744 140.065 -56.391 1.00 1.97 H new ATOM 255 N VAL A 16 46.964 137.580 -64.311 1.00 0.38 N ATOM 256 CA VAL A 16 47.245 136.442 -65.179 1.00 0.41 C ATOM 257 C VAL A 16 47.464 135.171 -64.369 1.00 0.34 C ATOM 258 O VAL A 16 47.733 135.223 -63.169 1.00 0.40 O ATOM 259 CB VAL A 16 48.487 136.692 -66.055 1.00 0.48 C ATOM 260 CG1 VAL A 16 48.323 136.038 -67.420 1.00 0.70 C ATOM 261 CG2 VAL A 16 48.750 138.183 -66.199 1.00 0.72 C ATOM 0 H VAL A 16 47.675 137.756 -63.601 1.00 0.38 H new ATOM 0 HA VAL A 16 46.373 136.318 -65.821 1.00 0.41 H new ATOM 0 HB VAL A 16 49.349 136.240 -65.564 1.00 0.48 H new ATOM 0 HG11 VAL A 16 49.211 136.227 -68.023 1.00 0.70 H new ATOM 0 HG12 VAL A 16 48.191 134.963 -67.295 1.00 0.70 H new ATOM 0 HG13 VAL A 16 47.449 136.455 -67.921 1.00 0.70 H new ATOM 0 HG21 VAL A 16 49.631 138.339 -66.821 1.00 0.72 H new ATOM 0 HG22 VAL A 16 47.888 138.661 -66.664 1.00 0.72 H new ATOM 0 HG23 VAL A 16 48.919 138.619 -65.215 1.00 0.72 H new ATOM 271 N LYS A 17 47.353 134.032 -65.040 1.00 0.40 N ATOM 272 CA LYS A 17 47.544 132.740 -64.396 1.00 0.37 C ATOM 273 C LYS A 17 48.483 131.869 -65.220 1.00 0.34 C ATOM 274 O LYS A 17 48.230 131.605 -66.395 1.00 0.42 O ATOM 275 CB LYS A 17 46.201 132.032 -64.211 1.00 0.45 C ATOM 276 CG LYS A 17 46.311 130.712 -63.466 1.00 0.79 C ATOM 277 CD LYS A 17 45.594 130.768 -62.128 1.00 1.45 C ATOM 278 CE LYS A 17 45.933 129.565 -61.263 1.00 1.92 C ATOM 279 NZ LYS A 17 44.900 129.327 -60.217 1.00 2.51 N ATOM 0 H LYS A 17 47.131 133.977 -66.034 1.00 0.40 H new ATOM 0 HA LYS A 17 47.990 132.908 -63.416 1.00 0.37 H new ATOM 0 HB2 LYS A 17 45.523 132.691 -63.669 1.00 0.45 H new ATOM 0 HB3 LYS A 17 45.756 131.852 -65.190 1.00 0.45 H new ATOM 0 HG2 LYS A 17 45.887 129.913 -64.074 1.00 0.79 H new ATOM 0 HG3 LYS A 17 47.362 130.469 -63.307 1.00 0.79 H new ATOM 0 HD2 LYS A 17 45.870 131.683 -61.604 1.00 1.45 H new ATOM 0 HD3 LYS A 17 44.517 130.807 -62.293 1.00 1.45 H new ATOM 0 HE2 LYS A 17 46.024 128.679 -61.892 1.00 1.92 H new ATOM 0 HE3 LYS A 17 46.902 129.720 -60.788 1.00 1.92 H new ATOM 0 HZ1 LYS A 17 45.167 128.499 -59.648 1.00 2.51 H new ATOM 0 HZ2 LYS A 17 44.831 130.162 -59.601 1.00 2.51 H new ATOM 0 HZ3 LYS A 17 43.980 129.154 -60.670 1.00 2.51 H new ATOM 293 N CYS A 18 49.569 131.429 -64.599 1.00 0.28 N ATOM 294 CA CYS A 18 50.549 130.591 -65.278 1.00 0.29 C ATOM 295 C CYS A 18 51.160 129.586 -64.304 1.00 0.24 C ATOM 296 O CYS A 18 50.502 129.160 -63.354 1.00 0.25 O ATOM 297 CB CYS A 18 51.636 131.469 -65.908 1.00 0.39 C ATOM 298 SG CYS A 18 52.722 132.282 -64.711 1.00 1.51 S ATOM 0 H CYS A 18 49.794 131.638 -63.626 1.00 0.28 H new ATOM 0 HA CYS A 18 50.050 130.032 -66.069 1.00 0.29 H new ATOM 0 HB2 CYS A 18 52.243 130.855 -66.573 1.00 0.39 H new ATOM 0 HB3 CYS A 18 51.159 132.231 -66.525 1.00 0.39 H new ATOM 0 HG CYS A 18 52.311 132.021 -63.505 1.00 1.51 H new ATOM 304 N ASN A 19 52.414 129.209 -64.533 1.00 0.27 N ATOM 305 CA ASN A 19 53.092 128.261 -63.660 1.00 0.27 C ATOM 306 C ASN A 19 54.599 128.331 -63.860 1.00 0.32 C ATOM 307 O ASN A 19 55.078 128.858 -64.863 1.00 0.40 O ATOM 308 CB ASN A 19 52.594 126.838 -63.919 1.00 0.29 C ATOM 309 CG ASN A 19 52.538 126.502 -65.396 1.00 0.45 C ATOM 310 OD1 ASN A 19 53.528 126.062 -65.981 1.00 1.19 O ATOM 311 ND2 ASN A 19 51.377 126.705 -66.008 1.00 1.22 N ATOM 0 H ASN A 19 52.979 129.545 -65.313 1.00 0.27 H new ATOM 0 HA ASN A 19 52.864 128.528 -62.628 1.00 0.27 H new ATOM 0 HB2 ASN A 19 53.250 126.129 -63.413 1.00 0.29 H new ATOM 0 HB3 ASN A 19 51.601 126.719 -63.485 1.00 0.29 H new ATOM 0 HD21 ASN A 19 51.280 126.495 -67.001 1.00 1.22 H new ATOM 0 HD22 ASN A 19 50.582 127.071 -65.485 1.00 1.22 H new ATOM 318 N THR A 20 55.340 127.800 -62.896 1.00 0.33 N ATOM 319 CA THR A 20 56.801 127.801 -62.967 1.00 0.40 C ATOM 320 C THR A 20 57.286 127.205 -64.285 1.00 0.40 C ATOM 321 O THR A 20 58.185 127.746 -64.927 1.00 0.48 O ATOM 322 CB THR A 20 57.454 127.023 -61.801 1.00 0.47 C ATOM 323 OG1 THR A 20 58.519 126.205 -62.299 1.00 0.58 O ATOM 324 CG2 THR A 20 56.444 126.147 -61.071 1.00 0.45 C ATOM 0 H THR A 20 54.958 127.364 -62.057 1.00 0.33 H new ATOM 0 HA THR A 20 57.103 128.846 -62.895 1.00 0.40 H new ATOM 0 HB THR A 20 57.843 127.755 -61.093 1.00 0.47 H new ATOM 0 HG1 THR A 20 58.930 125.716 -61.556 1.00 0.58 H new ATOM 0 HG21 THR A 20 56.942 125.617 -60.259 1.00 0.45 H new ATOM 0 HG22 THR A 20 55.649 126.771 -60.663 1.00 0.45 H new ATOM 0 HG23 THR A 20 56.018 125.425 -61.768 1.00 0.45 H new ATOM 332 N ASP A 21 56.682 126.088 -64.684 1.00 0.36 N ATOM 333 CA ASP A 21 57.049 125.417 -65.928 1.00 0.40 C ATOM 334 C ASP A 21 56.972 126.371 -67.119 1.00 0.36 C ATOM 335 O ASP A 21 57.767 126.270 -68.054 1.00 0.41 O ATOM 336 CB ASP A 21 56.138 124.212 -66.165 1.00 0.46 C ATOM 337 CG ASP A 21 56.914 122.969 -66.549 1.00 0.89 C ATOM 338 OD1 ASP A 21 57.591 122.396 -65.669 1.00 1.33 O ATOM 339 OD2 ASP A 21 56.847 122.567 -67.730 1.00 1.61 O ATOM 0 H ASP A 21 55.935 125.628 -64.163 1.00 0.36 H new ATOM 0 HA ASP A 21 58.080 125.077 -65.833 1.00 0.40 H new ATOM 0 HB2 ASP A 21 55.561 124.013 -65.262 1.00 0.46 H new ATOM 0 HB3 ASP A 21 55.424 124.449 -66.953 1.00 0.46 H new ATOM 344 N ASP A 22 56.015 127.295 -67.080 1.00 0.35 N ATOM 345 CA ASP A 22 55.843 128.266 -68.155 1.00 0.34 C ATOM 346 C ASP A 22 57.100 129.115 -68.327 1.00 0.33 C ATOM 347 O ASP A 22 57.941 129.182 -67.432 1.00 0.66 O ATOM 348 CB ASP A 22 54.639 129.164 -67.863 1.00 0.40 C ATOM 349 CG ASP A 22 54.094 129.829 -69.112 1.00 0.57 C ATOM 350 OD1 ASP A 22 53.687 129.101 -70.041 1.00 1.16 O ATOM 351 OD2 ASP A 22 54.077 131.077 -69.161 1.00 1.24 O ATOM 0 H ASP A 22 55.347 127.391 -66.315 1.00 0.35 H new ATOM 0 HA ASP A 22 55.667 127.722 -69.083 1.00 0.34 H new ATOM 0 HB2 ASP A 22 53.852 128.571 -67.398 1.00 0.40 H new ATOM 0 HB3 ASP A 22 54.927 129.930 -67.144 1.00 0.40 H new ATOM 356 N THR A 23 57.226 129.757 -69.484 1.00 0.41 N ATOM 357 CA THR A 23 58.383 130.597 -69.772 1.00 0.38 C ATOM 358 C THR A 23 57.972 132.054 -69.957 1.00 0.38 C ATOM 359 O THR A 23 56.785 132.381 -69.939 1.00 0.55 O ATOM 360 CB THR A 23 59.117 130.118 -71.038 1.00 0.36 C ATOM 361 OG1 THR A 23 58.515 130.696 -72.201 1.00 0.67 O ATOM 362 CG2 THR A 23 59.080 128.601 -71.144 1.00 0.64 C ATOM 0 H THR A 23 56.540 129.711 -70.238 1.00 0.41 H new ATOM 0 HA THR A 23 59.055 130.519 -68.917 1.00 0.38 H new ATOM 0 HB THR A 23 60.157 130.437 -70.970 1.00 0.36 H new ATOM 0 HG1 THR A 23 59.201 131.152 -72.732 1.00 0.67 H new ATOM 0 HG21 THR A 23 59.605 128.286 -72.046 1.00 0.64 H new ATOM 0 HG22 THR A 23 59.564 128.163 -70.271 1.00 0.64 H new ATOM 0 HG23 THR A 23 58.044 128.265 -71.191 1.00 0.64 H new ATOM 370 N ILE A 24 58.961 132.926 -70.136 1.00 0.37 N ATOM 371 CA ILE A 24 58.702 134.349 -70.326 1.00 0.37 C ATOM 372 C ILE A 24 57.959 134.604 -71.630 1.00 0.31 C ATOM 373 O ILE A 24 56.991 135.363 -71.662 1.00 0.35 O ATOM 374 CB ILE A 24 60.010 135.162 -70.318 1.00 0.40 C ATOM 375 CG1 ILE A 24 60.553 135.257 -68.898 1.00 0.39 C ATOM 376 CG2 ILE A 24 59.784 136.552 -70.889 1.00 0.50 C ATOM 377 CD1 ILE A 24 59.570 135.866 -67.927 1.00 0.32 C ATOM 0 H ILE A 24 59.949 132.671 -70.153 1.00 0.37 H new ATOM 0 HA ILE A 24 58.079 134.673 -69.492 1.00 0.37 H new ATOM 0 HB ILE A 24 60.740 134.651 -70.945 1.00 0.40 H new ATOM 0 HG12 ILE A 24 60.826 134.260 -68.552 1.00 0.39 H new ATOM 0 HG13 ILE A 24 61.466 135.853 -68.904 1.00 0.39 H new ATOM 0 HG21 ILE A 24 60.721 137.108 -70.874 1.00 0.50 H new ATOM 0 HG22 ILE A 24 59.428 136.470 -71.916 1.00 0.50 H new ATOM 0 HG23 ILE A 24 59.041 137.076 -70.288 1.00 0.50 H new ATOM 0 HD11 ILE A 24 60.017 135.906 -66.934 1.00 0.32 H new ATOM 0 HD12 ILE A 24 59.316 136.875 -68.251 1.00 0.32 H new ATOM 0 HD13 ILE A 24 58.666 135.257 -67.894 1.00 0.32 H new ATOM 389 N GLY A 25 58.411 133.959 -72.700 1.00 0.30 N ATOM 390 CA GLY A 25 57.767 134.124 -73.988 1.00 0.29 C ATOM 391 C GLY A 25 56.296 133.769 -73.933 1.00 0.27 C ATOM 392 O GLY A 25 55.459 134.464 -74.509 1.00 0.26 O ATOM 0 H GLY A 25 59.211 133.326 -72.698 1.00 0.30 H new ATOM 0 HA2 GLY A 25 57.879 135.156 -74.321 1.00 0.29 H new ATOM 0 HA3 GLY A 25 58.265 133.495 -74.726 1.00 0.29 H new ATOM 396 N ASP A 26 55.982 132.689 -73.225 1.00 0.30 N ATOM 397 CA ASP A 26 54.603 132.246 -73.079 1.00 0.30 C ATOM 398 C ASP A 26 53.790 133.289 -72.323 1.00 0.27 C ATOM 399 O ASP A 26 52.688 133.649 -72.735 1.00 0.26 O ATOM 400 CB ASP A 26 54.548 130.913 -72.335 1.00 0.35 C ATOM 401 CG ASP A 26 54.884 129.736 -73.227 1.00 0.82 C ATOM 402 OD1 ASP A 26 53.979 129.255 -73.940 1.00 1.33 O ATOM 403 OD2 ASP A 26 56.052 129.295 -73.210 1.00 1.51 O ATOM 0 H ASP A 26 56.666 132.105 -72.744 1.00 0.30 H new ATOM 0 HA ASP A 26 54.178 132.115 -74.074 1.00 0.30 H new ATOM 0 HB2 ASP A 26 55.244 130.940 -71.497 1.00 0.35 H new ATOM 0 HB3 ASP A 26 53.551 130.775 -71.917 1.00 0.35 H new ATOM 408 N LEU A 27 54.347 133.773 -71.216 1.00 0.30 N ATOM 409 CA LEU A 27 53.683 134.780 -70.396 1.00 0.31 C ATOM 410 C LEU A 27 53.377 136.033 -71.210 1.00 0.27 C ATOM 411 O LEU A 27 52.281 136.587 -71.125 1.00 0.27 O ATOM 412 CB LEU A 27 54.553 135.141 -69.193 1.00 0.36 C ATOM 413 CG LEU A 27 54.338 134.266 -67.959 1.00 0.40 C ATOM 414 CD1 LEU A 27 55.653 134.041 -67.229 1.00 0.47 C ATOM 415 CD2 LEU A 27 53.311 134.898 -67.033 1.00 0.50 C ATOM 0 H LEU A 27 55.260 133.482 -70.866 1.00 0.30 H new ATOM 0 HA LEU A 27 52.741 134.360 -70.043 1.00 0.31 H new ATOM 0 HB2 LEU A 27 55.600 135.077 -69.488 1.00 0.36 H new ATOM 0 HB3 LEU A 27 54.361 136.179 -68.922 1.00 0.36 H new ATOM 0 HG LEU A 27 53.958 133.297 -68.283 1.00 0.40 H new ATOM 0 HD11 LEU A 27 55.480 133.416 -66.353 1.00 0.47 H new ATOM 0 HD12 LEU A 27 56.359 133.545 -67.895 1.00 0.47 H new ATOM 0 HD13 LEU A 27 56.064 135.001 -66.915 1.00 0.47 H new ATOM 0 HD21 LEU A 27 53.169 134.262 -66.159 1.00 0.50 H new ATOM 0 HD22 LEU A 27 53.663 135.879 -66.715 1.00 0.50 H new ATOM 0 HD23 LEU A 27 52.363 135.006 -67.560 1.00 0.50 H new ATOM 427 N LYS A 28 54.350 136.472 -72.004 1.00 0.27 N ATOM 428 CA LYS A 28 54.175 137.654 -72.839 1.00 0.26 C ATOM 429 C LYS A 28 52.981 137.473 -73.768 1.00 0.24 C ATOM 430 O LYS A 28 52.191 138.394 -73.968 1.00 0.25 O ATOM 431 CB LYS A 28 55.437 137.920 -73.661 1.00 0.27 C ATOM 432 CG LYS A 28 56.668 138.199 -72.815 1.00 0.27 C ATOM 433 CD LYS A 28 57.242 139.576 -73.104 1.00 0.43 C ATOM 434 CE LYS A 28 57.432 140.379 -71.827 1.00 0.61 C ATOM 435 NZ LYS A 28 58.511 141.397 -71.965 1.00 1.00 N ATOM 0 H LYS A 28 55.265 136.028 -72.086 1.00 0.27 H new ATOM 0 HA LYS A 28 53.992 138.509 -72.189 1.00 0.26 H new ATOM 0 HB2 LYS A 28 55.633 137.058 -74.299 1.00 0.27 H new ATOM 0 HB3 LYS A 28 55.259 138.770 -74.319 1.00 0.27 H new ATOM 0 HG2 LYS A 28 56.409 138.126 -71.759 1.00 0.27 H new ATOM 0 HG3 LYS A 28 57.425 137.440 -73.011 1.00 0.27 H new ATOM 0 HD2 LYS A 28 58.199 139.473 -73.616 1.00 0.43 H new ATOM 0 HD3 LYS A 28 56.576 140.115 -73.778 1.00 0.43 H new ATOM 0 HE2 LYS A 28 56.497 140.875 -71.568 1.00 0.61 H new ATOM 0 HE3 LYS A 28 57.673 139.704 -71.006 1.00 0.61 H new ATOM 0 HZ1 LYS A 28 58.609 141.923 -71.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 59.409 140.923 -72.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 58.269 142.057 -72.731 1.00 1.00 H new ATOM 449 N LYS A 29 52.856 136.274 -74.327 1.00 0.24 N ATOM 450 CA LYS A 29 51.758 135.960 -75.229 1.00 0.24 C ATOM 451 C LYS A 29 50.438 135.842 -74.471 1.00 0.23 C ATOM 452 O LYS A 29 49.378 136.136 -75.014 1.00 0.28 O ATOM 453 CB LYS A 29 52.047 134.662 -75.982 1.00 0.27 C ATOM 454 CG LYS A 29 51.416 134.605 -77.363 1.00 0.71 C ATOM 455 CD LYS A 29 51.790 135.820 -78.198 1.00 0.66 C ATOM 456 CE LYS A 29 52.572 135.424 -79.440 1.00 1.28 C ATOM 457 NZ LYS A 29 54.023 135.257 -79.152 1.00 1.98 N ATOM 0 H LYS A 29 53.505 135.503 -74.169 1.00 0.24 H new ATOM 0 HA LYS A 29 51.667 136.777 -75.945 1.00 0.24 H new ATOM 0 HB2 LYS A 29 53.126 134.541 -76.080 1.00 0.27 H new ATOM 0 HB3 LYS A 29 51.684 133.821 -75.391 1.00 0.27 H new ATOM 0 HG2 LYS A 29 51.738 133.698 -77.874 1.00 0.71 H new ATOM 0 HG3 LYS A 29 50.332 134.548 -77.267 1.00 0.71 H new ATOM 0 HD2 LYS A 29 50.886 136.354 -78.491 1.00 0.66 H new ATOM 0 HD3 LYS A 29 52.385 136.507 -77.596 1.00 0.66 H new ATOM 0 HE2 LYS A 29 52.172 134.492 -79.840 1.00 1.28 H new ATOM 0 HE3 LYS A 29 52.440 136.184 -80.210 1.00 1.28 H new ATOM 0 HZ1 LYS A 29 54.521 134.987 -80.024 1.00 1.98 H new ATOM 0 HZ2 LYS A 29 54.411 136.153 -78.795 1.00 1.98 H new ATOM 0 HZ3 LYS A 29 54.151 134.514 -78.436 1.00 1.98 H new ATOM 471 N LEU A 30 50.507 135.409 -73.215 1.00 0.21 N ATOM 472 CA LEU A 30 49.313 135.259 -72.393 1.00 0.20 C ATOM 473 C LEU A 30 48.542 136.573 -72.311 1.00 0.24 C ATOM 474 O LEU A 30 47.328 136.604 -72.504 1.00 0.28 O ATOM 475 CB LEU A 30 49.693 134.788 -70.988 1.00 0.23 C ATOM 476 CG LEU A 30 49.321 133.341 -70.668 1.00 0.43 C ATOM 477 CD1 LEU A 30 50.242 132.376 -71.400 1.00 1.06 C ATOM 478 CD2 LEU A 30 49.372 133.095 -69.167 1.00 1.12 C ATOM 0 H LEU A 30 51.377 135.156 -72.746 1.00 0.21 H new ATOM 0 HA LEU A 30 48.672 134.511 -72.858 1.00 0.20 H new ATOM 0 HB2 LEU A 30 50.769 134.907 -70.860 1.00 0.23 H new ATOM 0 HB3 LEU A 30 49.211 135.440 -70.260 1.00 0.23 H new ATOM 0 HG LEU A 30 48.301 133.166 -71.010 1.00 0.43 H new ATOM 0 HD11 LEU A 30 49.961 131.351 -71.159 1.00 1.06 H new ATOM 0 HD12 LEU A 30 50.154 132.533 -72.475 1.00 1.06 H new ATOM 0 HD13 LEU A 30 51.272 132.552 -71.091 1.00 1.06 H new ATOM 0 HD21 LEU A 30 49.104 132.059 -68.959 1.00 1.12 H new ATOM 0 HD22 LEU A 30 50.380 133.290 -68.800 1.00 1.12 H new ATOM 0 HD23 LEU A 30 48.669 133.760 -68.665 1.00 1.12 H new ATOM 490 N ILE A 31 49.257 137.657 -72.027 1.00 0.26 N ATOM 491 CA ILE A 31 48.640 138.974 -71.921 1.00 0.32 C ATOM 492 C ILE A 31 48.414 139.595 -73.296 1.00 0.30 C ATOM 493 O ILE A 31 47.344 140.137 -73.573 1.00 0.46 O ATOM 494 CB ILE A 31 49.501 139.930 -71.076 1.00 0.37 C ATOM 495 CG1 ILE A 31 49.609 139.416 -69.639 1.00 0.44 C ATOM 496 CG2 ILE A 31 48.915 141.333 -71.103 1.00 0.49 C ATOM 497 CD1 ILE A 31 50.975 138.861 -69.301 1.00 0.56 C ATOM 0 H ILE A 31 50.264 137.649 -71.866 1.00 0.26 H new ATOM 0 HA ILE A 31 47.677 138.830 -71.431 1.00 0.32 H new ATOM 0 HB ILE A 31 50.503 139.969 -71.503 1.00 0.37 H new ATOM 0 HG12 ILE A 31 49.375 140.229 -68.952 1.00 0.44 H new ATOM 0 HG13 ILE A 31 48.860 138.640 -69.481 1.00 0.44 H new ATOM 0 HG21 ILE A 31 49.535 141.998 -70.501 1.00 0.49 H new ATOM 0 HG22 ILE A 31 48.886 141.695 -72.131 1.00 0.49 H new ATOM 0 HG23 ILE A 31 47.904 141.313 -70.697 1.00 0.49 H new ATOM 0 HD11 ILE A 31 50.981 138.514 -68.268 1.00 0.56 H new ATOM 0 HD12 ILE A 31 51.203 138.027 -69.965 1.00 0.56 H new ATOM 0 HD13 ILE A 31 51.726 139.641 -69.427 1.00 0.56 H new ATOM 509 N ALA A 32 49.428 139.513 -74.153 1.00 0.23 N ATOM 510 CA ALA A 32 49.339 140.069 -75.499 1.00 0.32 C ATOM 511 C ALA A 32 48.196 139.433 -76.285 1.00 0.43 C ATOM 512 O ALA A 32 47.531 140.099 -77.078 1.00 0.62 O ATOM 513 CB ALA A 32 50.656 139.881 -76.236 1.00 0.37 C ATOM 0 H ALA A 32 50.320 139.067 -73.939 1.00 0.23 H new ATOM 0 HA ALA A 32 49.133 141.136 -75.410 1.00 0.32 H new ATOM 0 HB1 ALA A 32 50.575 140.301 -77.239 1.00 0.37 H new ATOM 0 HB2 ALA A 32 51.453 140.390 -75.693 1.00 0.37 H new ATOM 0 HB3 ALA A 32 50.886 138.818 -76.305 1.00 0.37 H new ATOM 519 N ALA A 33 47.969 138.142 -76.056 1.00 0.44 N ATOM 520 CA ALA A 33 46.903 137.418 -76.738 1.00 0.57 C ATOM 521 C ALA A 33 45.636 137.384 -75.889 1.00 0.62 C ATOM 522 O ALA A 33 44.964 136.357 -75.798 1.00 0.97 O ATOM 523 CB ALA A 33 47.354 136.004 -77.073 1.00 0.78 C ATOM 0 H ALA A 33 48.510 137.576 -75.402 1.00 0.44 H new ATOM 0 HA ALA A 33 46.676 137.943 -77.666 1.00 0.57 H new ATOM 0 HB1 ALA A 33 46.548 135.476 -77.582 1.00 0.78 H new ATOM 0 HB2 ALA A 33 48.228 136.045 -77.723 1.00 0.78 H new ATOM 0 HB3 ALA A 33 47.610 135.477 -76.154 1.00 0.78 H new ATOM 529 N GLN A 34 45.317 138.517 -75.273 1.00 0.77 N ATOM 530 CA GLN A 34 44.132 138.633 -74.432 1.00 0.88 C ATOM 531 C GLN A 34 43.630 140.069 -74.431 1.00 0.92 C ATOM 532 O GLN A 34 42.485 140.342 -74.793 1.00 1.44 O ATOM 533 CB GLN A 34 44.447 138.192 -73.001 1.00 0.91 C ATOM 534 CG GLN A 34 44.083 136.744 -72.714 1.00 1.32 C ATOM 535 CD GLN A 34 42.585 136.523 -72.640 1.00 1.42 C ATOM 536 OE1 GLN A 34 41.796 137.431 -72.901 1.00 1.94 O ATOM 537 NE2 GLN A 34 42.184 135.309 -72.279 1.00 1.96 N ATOM 0 H GLN A 34 45.867 139.373 -75.341 1.00 0.77 H new ATOM 0 HA GLN A 34 43.356 137.984 -74.837 1.00 0.88 H new ATOM 0 HB2 GLN A 34 45.511 138.334 -72.812 1.00 0.91 H new ATOM 0 HB3 GLN A 34 43.911 138.837 -72.305 1.00 0.91 H new ATOM 0 HG2 GLN A 34 44.503 136.107 -73.492 1.00 1.32 H new ATOM 0 HG3 GLN A 34 44.539 136.439 -71.772 1.00 1.32 H new ATOM 0 HE21 GLN A 34 42.872 134.585 -72.071 1.00 1.96 H new ATOM 0 HE22 GLN A 34 41.188 135.101 -72.209 1.00 1.96 H new ATOM 546 N THR A 35 44.503 140.984 -74.028 1.00 0.64 N ATOM 547 CA THR A 35 44.169 142.399 -73.983 1.00 0.74 C ATOM 548 C THR A 35 44.679 143.126 -75.228 1.00 0.83 C ATOM 549 O THR A 35 44.158 144.177 -75.599 1.00 1.66 O ATOM 550 CB THR A 35 44.761 143.072 -72.731 1.00 0.70 C ATOM 551 OG1 THR A 35 46.143 143.385 -72.946 1.00 0.99 O ATOM 552 CG2 THR A 35 44.625 142.167 -71.516 1.00 1.18 C ATOM 0 H THR A 35 45.453 140.768 -73.726 1.00 0.64 H new ATOM 0 HA THR A 35 43.082 142.468 -73.946 1.00 0.74 H new ATOM 0 HB THR A 35 44.207 143.992 -72.545 1.00 0.70 H new ATOM 0 HG1 THR A 35 46.510 143.814 -72.145 1.00 0.99 H new ATOM 0 HG21 THR A 35 45.050 142.663 -70.643 1.00 1.18 H new ATOM 0 HG22 THR A 35 43.571 141.956 -71.336 1.00 1.18 H new ATOM 0 HG23 THR A 35 45.157 141.233 -71.697 1.00 1.18 H new ATOM 560 N GLY A 36 45.701 142.560 -75.869 1.00 0.66 N ATOM 561 CA GLY A 36 46.259 143.173 -77.060 1.00 0.59 C ATOM 562 C GLY A 36 47.213 144.304 -76.732 1.00 0.56 C ATOM 563 O GLY A 36 47.042 145.427 -77.206 1.00 0.70 O ATOM 0 H GLY A 36 46.150 141.690 -75.584 1.00 0.66 H new ATOM 0 HA2 GLY A 36 46.783 142.416 -77.644 1.00 0.59 H new ATOM 0 HA3 GLY A 36 45.450 143.553 -77.684 1.00 0.59 H new ATOM 567 N THR A 37 48.216 144.008 -75.913 1.00 0.59 N ATOM 568 CA THR A 37 49.196 145.009 -75.513 1.00 0.69 C ATOM 569 C THR A 37 50.597 144.670 -76.019 1.00 0.87 C ATOM 570 O THR A 37 51.589 145.179 -75.495 1.00 1.87 O ATOM 571 CB THR A 37 49.235 145.156 -73.986 1.00 0.74 C ATOM 572 OG1 THR A 37 49.377 143.869 -73.374 1.00 0.86 O ATOM 573 CG2 THR A 37 47.967 145.831 -73.482 1.00 0.75 C ATOM 0 H THR A 37 48.371 143.082 -75.513 1.00 0.59 H new ATOM 0 HA THR A 37 48.883 145.951 -75.964 1.00 0.69 H new ATOM 0 HB THR A 37 50.090 145.777 -73.719 1.00 0.74 H new ATOM 0 HG1 THR A 37 49.388 143.970 -72.399 1.00 0.86 H new ATOM 0 HG21 THR A 37 48.012 145.927 -72.397 1.00 0.75 H new ATOM 0 HG22 THR A 37 47.879 146.821 -73.930 1.00 0.75 H new ATOM 0 HG23 THR A 37 47.101 145.230 -73.757 1.00 0.75 H new ATOM 581 N ARG A 38 50.672 143.818 -77.042 1.00 0.79 N ATOM 582 CA ARG A 38 51.952 143.420 -77.623 1.00 0.81 C ATOM 583 C ARG A 38 52.814 142.666 -76.614 1.00 0.91 C ATOM 584 O ARG A 38 52.443 142.508 -75.451 1.00 1.73 O ATOM 585 CB ARG A 38 52.708 144.648 -78.137 1.00 1.00 C ATOM 586 CG ARG A 38 52.008 145.356 -79.284 1.00 1.11 C ATOM 587 CD ARG A 38 52.860 145.349 -80.543 1.00 1.11 C ATOM 588 NE ARG A 38 52.079 145.675 -81.734 1.00 1.46 N ATOM 589 CZ ARG A 38 52.592 145.745 -82.961 1.00 1.77 C ATOM 590 NH1 ARG A 38 53.885 145.519 -83.164 1.00 2.29 N ATOM 591 NH2 ARG A 38 51.810 146.044 -83.990 1.00 2.28 N ATOM 0 H ARG A 38 49.859 143.390 -77.485 1.00 0.79 H new ATOM 0 HA ARG A 38 51.742 142.750 -78.457 1.00 0.81 H new ATOM 0 HB2 ARG A 38 52.843 145.351 -77.315 1.00 1.00 H new ATOM 0 HB3 ARG A 38 53.702 144.342 -78.462 1.00 1.00 H new ATOM 0 HG2 ARG A 38 51.054 144.869 -79.486 1.00 1.11 H new ATOM 0 HG3 ARG A 38 51.787 146.384 -78.998 1.00 1.11 H new ATOM 0 HD2 ARG A 38 53.673 146.067 -80.435 1.00 1.11 H new ATOM 0 HD3 ARG A 38 53.317 144.367 -80.666 1.00 1.11 H new ATOM 0 HE ARG A 38 51.082 145.860 -81.619 1.00 1.46 H new ATOM 0 HH11 ARG A 38 54.492 145.290 -82.377 1.00 2.29 H new ATOM 0 HH12 ARG A 38 54.271 145.574 -84.107 1.00 2.29 H new ATOM 0 HH21 ARG A 38 50.816 146.220 -83.841 1.00 2.28 H new ATOM 0 HH22 ARG A 38 52.202 146.098 -84.930 1.00 2.28 H new ATOM 605 N TRP A 39 53.971 142.204 -77.073 1.00 0.59 N ATOM 606 CA TRP A 39 54.899 141.471 -76.220 1.00 0.61 C ATOM 607 C TRP A 39 56.333 141.964 -76.418 1.00 0.73 C ATOM 608 O TRP A 39 57.288 141.300 -76.013 1.00 1.32 O ATOM 609 CB TRP A 39 54.817 139.970 -76.513 1.00 0.73 C ATOM 610 CG TRP A 39 54.346 139.656 -77.900 1.00 1.14 C ATOM 611 CD1 TRP A 39 53.221 138.965 -78.246 1.00 2.13 C ATOM 612 CD2 TRP A 39 54.987 140.021 -79.129 1.00 1.19 C ATOM 613 NE1 TRP A 39 53.121 138.879 -79.613 1.00 2.76 N ATOM 614 CE2 TRP A 39 54.193 139.520 -80.178 1.00 2.19 C ATOM 615 CE3 TRP A 39 56.154 140.724 -79.444 1.00 0.93 C ATOM 616 CZ2 TRP A 39 54.530 139.699 -81.518 1.00 2.58 C ATOM 617 CZ3 TRP A 39 56.486 140.901 -80.772 1.00 1.32 C ATOM 618 CH2 TRP A 39 55.677 140.392 -81.796 1.00 2.02 C ATOM 0 H TRP A 39 54.290 142.325 -78.034 1.00 0.59 H new ATOM 0 HA TRP A 39 54.615 141.648 -75.183 1.00 0.61 H new ATOM 0 HB2 TRP A 39 55.800 139.524 -76.362 1.00 0.73 H new ATOM 0 HB3 TRP A 39 54.142 139.504 -75.795 1.00 0.73 H new ATOM 0 HD1 TRP A 39 52.512 138.547 -77.546 1.00 2.13 H new ATOM 0 HE1 TRP A 39 52.371 138.414 -80.125 1.00 2.76 H new ATOM 0 HE3 TRP A 39 56.784 141.121 -78.662 1.00 0.93 H new ATOM 0 HZ2 TRP A 39 53.909 139.305 -82.309 1.00 2.58 H new ATOM 0 HZ3 TRP A 39 57.386 141.442 -81.026 1.00 1.32 H new ATOM 0 HH2 TRP A 39 55.964 140.550 -82.825 1.00 2.02 H new ATOM 629 N ASN A 40 56.479 143.134 -77.040 1.00 0.50 N ATOM 630 CA ASN A 40 57.793 143.713 -77.287 1.00 0.54 C ATOM 631 C ASN A 40 57.902 145.081 -76.625 1.00 0.60 C ATOM 632 O ASN A 40 58.772 145.308 -75.784 1.00 0.79 O ATOM 633 CB ASN A 40 58.045 143.835 -78.791 1.00 0.54 C ATOM 634 CG ASN A 40 58.974 144.983 -79.131 1.00 1.25 C ATOM 635 OD1 ASN A 40 60.168 144.940 -78.834 1.00 2.14 O ATOM 636 ND2 ASN A 40 58.428 146.020 -79.755 1.00 1.59 N ATOM 0 H ASN A 40 55.700 143.698 -77.381 1.00 0.50 H new ATOM 0 HA ASN A 40 58.548 143.055 -76.857 1.00 0.54 H new ATOM 0 HB2 ASN A 40 58.473 142.903 -79.161 1.00 0.54 H new ATOM 0 HB3 ASN A 40 57.094 143.976 -79.305 1.00 0.54 H new ATOM 0 HD21 ASN A 40 59.003 146.824 -80.008 1.00 1.59 H new ATOM 0 HD22 ASN A 40 57.434 146.013 -79.982 1.00 1.59 H new ATOM 643 N LYS A 41 57.004 145.987 -77.003 1.00 0.55 N ATOM 644 CA LYS A 41 56.986 147.330 -76.439 1.00 0.62 C ATOM 645 C LYS A 41 56.592 147.285 -74.966 1.00 0.68 C ATOM 646 O LYS A 41 57.040 148.107 -74.166 1.00 1.14 O ATOM 647 CB LYS A 41 56.014 148.222 -77.214 1.00 0.70 C ATOM 648 CG LYS A 41 56.506 149.649 -77.388 1.00 1.18 C ATOM 649 CD LYS A 41 55.710 150.387 -78.452 1.00 1.56 C ATOM 650 CE LYS A 41 56.246 150.102 -79.845 1.00 2.08 C ATOM 651 NZ LYS A 41 57.477 150.887 -80.137 1.00 2.54 N ATOM 0 H LYS A 41 56.279 145.813 -77.699 1.00 0.55 H new ATOM 0 HA LYS A 41 57.989 147.749 -76.521 1.00 0.62 H new ATOM 0 HB2 LYS A 41 55.837 147.785 -78.197 1.00 0.70 H new ATOM 0 HB3 LYS A 41 55.056 148.238 -76.695 1.00 0.70 H new ATOM 0 HG2 LYS A 41 56.427 150.180 -76.439 1.00 1.18 H new ATOM 0 HG3 LYS A 41 57.561 149.640 -77.662 1.00 1.18 H new ATOM 0 HD2 LYS A 41 54.663 150.090 -78.396 1.00 1.56 H new ATOM 0 HD3 LYS A 41 55.748 151.459 -78.258 1.00 1.56 H new ATOM 0 HE2 LYS A 41 56.463 149.038 -79.940 1.00 2.08 H new ATOM 0 HE3 LYS A 41 55.481 150.339 -80.584 1.00 2.08 H new ATOM 0 HZ1 LYS A 41 57.773 150.716 -81.119 1.00 2.54 H new ATOM 0 HZ2 LYS A 41 57.282 151.900 -80.005 1.00 2.54 H new ATOM 0 HZ3 LYS A 41 58.237 150.594 -79.491 1.00 2.54 H new ATOM 665 N ILE A 42 55.756 146.310 -74.615 1.00 0.58 N ATOM 666 CA ILE A 42 55.304 146.141 -73.242 1.00 0.56 C ATOM 667 C ILE A 42 56.482 145.861 -72.314 1.00 0.55 C ATOM 668 O ILE A 42 57.361 145.060 -72.635 1.00 0.65 O ATOM 669 CB ILE A 42 54.285 144.988 -73.131 1.00 0.55 C ATOM 670 CG1 ILE A 42 53.777 144.856 -71.696 1.00 0.60 C ATOM 671 CG2 ILE A 42 54.907 143.680 -73.597 1.00 0.61 C ATOM 672 CD1 ILE A 42 52.839 143.684 -71.495 1.00 0.62 C ATOM 0 H ILE A 42 55.378 145.624 -75.268 1.00 0.58 H new ATOM 0 HA ILE A 42 54.822 147.071 -72.942 1.00 0.56 H new ATOM 0 HB ILE A 42 53.437 145.217 -73.777 1.00 0.55 H new ATOM 0 HG12 ILE A 42 54.629 144.749 -71.025 1.00 0.60 H new ATOM 0 HG13 ILE A 42 53.263 145.775 -71.414 1.00 0.60 H new ATOM 0 HG21 ILE A 42 54.174 142.878 -73.512 1.00 0.61 H new ATOM 0 HG22 ILE A 42 55.220 143.776 -74.637 1.00 0.61 H new ATOM 0 HG23 ILE A 42 55.773 143.448 -72.977 1.00 0.61 H new ATOM 0 HD11 ILE A 42 52.517 143.650 -70.454 1.00 0.62 H new ATOM 0 HD12 ILE A 42 51.968 143.800 -72.141 1.00 0.62 H new ATOM 0 HD13 ILE A 42 53.356 142.757 -71.745 1.00 0.62 H new ATOM 684 N VAL A 43 56.500 146.530 -71.166 1.00 0.48 N ATOM 685 CA VAL A 43 57.576 146.355 -70.199 1.00 0.49 C ATOM 686 C VAL A 43 57.142 145.461 -69.042 1.00 0.43 C ATOM 687 O VAL A 43 56.660 145.944 -68.018 1.00 0.51 O ATOM 688 CB VAL A 43 58.053 147.706 -69.634 1.00 0.61 C ATOM 689 CG1 VAL A 43 59.355 147.531 -68.867 1.00 0.83 C ATOM 690 CG2 VAL A 43 58.216 148.726 -70.750 1.00 1.34 C ATOM 0 H VAL A 43 55.782 147.197 -70.883 1.00 0.48 H new ATOM 0 HA VAL A 43 58.400 145.880 -70.732 1.00 0.49 H new ATOM 0 HB VAL A 43 57.296 148.078 -68.943 1.00 0.61 H new ATOM 0 HG11 VAL A 43 59.678 148.495 -68.474 1.00 0.83 H new ATOM 0 HG12 VAL A 43 59.200 146.836 -68.041 1.00 0.83 H new ATOM 0 HG13 VAL A 43 60.121 147.136 -69.535 1.00 0.83 H new ATOM 0 HG21 VAL A 43 58.554 149.674 -70.330 1.00 1.34 H new ATOM 0 HG22 VAL A 43 58.952 148.365 -71.469 1.00 1.34 H new ATOM 0 HG23 VAL A 43 57.260 148.872 -71.252 1.00 1.34 H new ATOM 700 N LEU A 44 57.322 144.156 -69.213 1.00 0.44 N ATOM 701 CA LEU A 44 56.956 143.191 -68.183 1.00 0.51 C ATOM 702 C LEU A 44 58.169 142.835 -67.329 1.00 0.46 C ATOM 703 O LEU A 44 58.955 141.957 -67.686 1.00 0.59 O ATOM 704 CB LEU A 44 56.379 141.928 -68.824 1.00 0.70 C ATOM 705 CG LEU A 44 54.861 141.783 -68.718 1.00 0.53 C ATOM 706 CD1 LEU A 44 54.405 140.483 -69.362 1.00 0.97 C ATOM 707 CD2 LEU A 44 54.423 141.842 -67.263 1.00 0.82 C ATOM 0 H LEU A 44 57.720 143.742 -70.056 1.00 0.44 H new ATOM 0 HA LEU A 44 56.198 143.641 -67.542 1.00 0.51 H new ATOM 0 HB2 LEU A 44 56.657 141.915 -69.878 1.00 0.70 H new ATOM 0 HB3 LEU A 44 56.845 141.058 -68.360 1.00 0.70 H new ATOM 0 HG LEU A 44 54.395 142.612 -69.251 1.00 0.53 H new ATOM 0 HD11 LEU A 44 53.322 140.396 -69.278 1.00 0.97 H new ATOM 0 HD12 LEU A 44 54.689 140.479 -70.414 1.00 0.97 H new ATOM 0 HD13 LEU A 44 54.877 139.641 -68.856 1.00 0.97 H new ATOM 0 HD21 LEU A 44 53.340 141.737 -67.205 1.00 0.82 H new ATOM 0 HD22 LEU A 44 54.896 141.032 -66.707 1.00 0.82 H new ATOM 0 HD23 LEU A 44 54.719 142.799 -66.833 1.00 0.82 H new ATOM 719 N LYS A 45 58.322 143.530 -66.206 1.00 0.39 N ATOM 720 CA LYS A 45 59.448 143.291 -65.310 1.00 0.35 C ATOM 721 C LYS A 45 59.014 143.305 -63.847 1.00 0.44 C ATOM 722 O LYS A 45 58.498 144.307 -63.352 1.00 0.48 O ATOM 723 CB LYS A 45 60.530 144.351 -65.533 1.00 0.35 C ATOM 724 CG LYS A 45 61.224 144.239 -66.879 1.00 0.57 C ATOM 725 CD LYS A 45 62.226 145.364 -67.085 1.00 0.80 C ATOM 726 CE LYS A 45 63.194 145.471 -65.917 1.00 1.59 C ATOM 727 NZ LYS A 45 64.245 146.498 -66.160 1.00 2.29 N ATOM 0 H LYS A 45 57.682 144.261 -65.895 1.00 0.39 H new ATOM 0 HA LYS A 45 59.847 142.303 -65.537 1.00 0.35 H new ATOM 0 HB2 LYS A 45 60.081 145.340 -65.447 1.00 0.35 H new ATOM 0 HB3 LYS A 45 61.275 144.269 -64.742 1.00 0.35 H new ATOM 0 HG2 LYS A 45 61.735 143.278 -66.947 1.00 0.57 H new ATOM 0 HG3 LYS A 45 60.481 144.262 -67.676 1.00 0.57 H new ATOM 0 HD2 LYS A 45 62.783 145.192 -68.006 1.00 0.80 H new ATOM 0 HD3 LYS A 45 61.695 146.308 -67.206 1.00 0.80 H new ATOM 0 HE2 LYS A 45 62.643 145.722 -65.011 1.00 1.59 H new ATOM 0 HE3 LYS A 45 63.665 144.503 -65.746 1.00 1.59 H new ATOM 0 HZ1 LYS A 45 64.885 146.540 -65.341 1.00 2.29 H new ATOM 0 HZ2 LYS A 45 64.787 146.245 -67.010 1.00 2.29 H new ATOM 0 HZ3 LYS A 45 63.798 147.427 -66.298 1.00 2.29 H new ATOM 741 N LYS A 46 59.248 142.194 -63.154 1.00 0.55 N ATOM 742 CA LYS A 46 58.904 142.094 -61.741 1.00 0.69 C ATOM 743 C LYS A 46 59.954 142.818 -60.911 1.00 0.67 C ATOM 744 O LYS A 46 61.080 142.339 -60.775 1.00 0.61 O ATOM 745 CB LYS A 46 58.810 140.629 -61.311 1.00 0.77 C ATOM 746 CG LYS A 46 58.215 140.437 -59.926 1.00 1.01 C ATOM 747 CD LYS A 46 59.285 140.112 -58.897 1.00 1.27 C ATOM 748 CE LYS A 46 58.760 140.269 -57.479 1.00 1.75 C ATOM 749 NZ LYS A 46 59.604 139.543 -56.491 1.00 2.14 N ATOM 0 H LYS A 46 59.673 141.354 -63.547 1.00 0.55 H new ATOM 0 HA LYS A 46 57.931 142.559 -61.580 1.00 0.69 H new ATOM 0 HB2 LYS A 46 58.205 140.085 -62.036 1.00 0.77 H new ATOM 0 HB3 LYS A 46 59.807 140.188 -61.333 1.00 0.77 H new ATOM 0 HG2 LYS A 46 57.686 141.342 -59.628 1.00 1.01 H new ATOM 0 HG3 LYS A 46 57.480 139.633 -59.954 1.00 1.01 H new ATOM 0 HD2 LYS A 46 59.636 139.091 -59.045 1.00 1.27 H new ATOM 0 HD3 LYS A 46 60.143 140.768 -59.043 1.00 1.27 H new ATOM 0 HE2 LYS A 46 58.726 141.327 -57.219 1.00 1.75 H new ATOM 0 HE3 LYS A 46 57.737 139.895 -57.427 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 59.213 139.675 -55.537 1.00 2.14 H new ATOM 0 HZ2 LYS A 46 59.616 138.529 -56.723 1.00 2.14 H new ATOM 0 HZ3 LYS A 46 60.574 139.917 -56.522 1.00 2.14 H new ATOM 763 N TRP A 47 59.583 143.986 -60.389 1.00 0.80 N ATOM 764 CA TRP A 47 60.492 144.811 -59.594 1.00 0.86 C ATOM 765 C TRP A 47 61.510 145.500 -60.502 1.00 0.83 C ATOM 766 O TRP A 47 61.516 146.724 -60.621 1.00 1.21 O ATOM 767 CB TRP A 47 61.204 143.981 -58.522 1.00 0.89 C ATOM 768 CG TRP A 47 60.660 144.199 -57.143 1.00 1.21 C ATOM 769 CD1 TRP A 47 60.413 143.241 -56.203 1.00 2.08 C ATOM 770 CD2 TRP A 47 60.294 145.450 -56.548 1.00 1.38 C ATOM 771 NE1 TRP A 47 59.917 143.818 -55.060 1.00 2.28 N ATOM 772 CE2 TRP A 47 59.836 145.173 -55.246 1.00 1.71 C ATOM 773 CE3 TRP A 47 60.311 146.778 -56.986 1.00 2.10 C ATOM 774 CZ2 TRP A 47 59.398 146.173 -54.381 1.00 1.98 C ATOM 775 CZ3 TRP A 47 59.876 147.769 -56.127 1.00 2.66 C ATOM 776 CH2 TRP A 47 59.426 147.462 -54.837 1.00 2.37 C ATOM 0 H TRP A 47 58.651 144.385 -60.504 1.00 0.80 H new ATOM 0 HA TRP A 47 59.900 145.572 -59.086 1.00 0.86 H new ATOM 0 HB2 TRP A 47 61.119 142.924 -58.775 1.00 0.89 H new ATOM 0 HB3 TRP A 47 62.266 144.226 -58.529 1.00 0.89 H new ATOM 0 HD1 TRP A 47 60.583 142.183 -56.338 1.00 2.08 H new ATOM 0 HE1 TRP A 47 59.652 143.319 -54.211 1.00 2.28 H new ATOM 0 HE3 TRP A 47 60.658 147.025 -57.978 1.00 2.10 H new ATOM 0 HZ2 TRP A 47 59.049 145.939 -53.386 1.00 1.98 H new ATOM 0 HZ3 TRP A 47 59.883 148.798 -56.456 1.00 2.66 H new ATOM 0 HH2 TRP A 47 59.094 148.260 -54.189 1.00 2.37 H new ATOM 787 N TYR A 48 62.352 144.700 -61.153 1.00 0.59 N ATOM 788 CA TYR A 48 63.363 145.212 -62.072 1.00 0.57 C ATOM 789 C TYR A 48 64.299 144.092 -62.509 1.00 0.50 C ATOM 790 O TYR A 48 65.483 144.082 -62.172 1.00 0.55 O ATOM 791 CB TYR A 48 64.158 146.359 -61.440 1.00 0.68 C ATOM 792 CG TYR A 48 64.054 147.656 -62.213 1.00 0.91 C ATOM 793 CD1 TYR A 48 62.941 147.930 -63.001 1.00 1.61 C ATOM 794 CD2 TYR A 48 65.069 148.602 -62.161 1.00 1.52 C ATOM 795 CE1 TYR A 48 62.844 149.109 -63.713 1.00 1.82 C ATOM 796 CE2 TYR A 48 64.978 149.786 -62.869 1.00 1.75 C ATOM 797 CZ TYR A 48 63.864 150.034 -63.644 1.00 1.50 C ATOM 798 OH TYR A 48 63.772 151.209 -64.353 1.00 1.82 O ATOM 0 H TYR A 48 62.352 143.684 -61.058 1.00 0.59 H new ATOM 0 HA TYR A 48 62.851 145.604 -62.951 1.00 0.57 H new ATOM 0 HB2 TYR A 48 63.802 146.521 -60.422 1.00 0.68 H new ATOM 0 HB3 TYR A 48 65.206 146.069 -61.369 1.00 0.68 H new ATOM 0 HD1 TYR A 48 62.139 147.208 -63.057 1.00 1.61 H new ATOM 0 HD2 TYR A 48 65.944 148.410 -61.558 1.00 1.52 H new ATOM 0 HE1 TYR A 48 61.973 149.306 -64.321 1.00 1.82 H new ATOM 0 HE2 TYR A 48 65.775 150.513 -62.816 1.00 1.75 H new ATOM 0 HH TYR A 48 64.573 151.751 -64.194 1.00 1.82 H new ATOM 808 N THR A 49 63.752 143.146 -63.263 1.00 0.42 N ATOM 809 CA THR A 49 64.525 142.013 -63.752 1.00 0.38 C ATOM 810 C THR A 49 64.212 141.736 -65.217 1.00 0.35 C ATOM 811 O THR A 49 63.048 141.721 -65.618 1.00 0.33 O ATOM 812 CB THR A 49 64.239 140.744 -62.930 1.00 0.37 C ATOM 813 OG1 THR A 49 64.103 141.077 -61.544 1.00 0.53 O ATOM 814 CG2 THR A 49 65.354 139.723 -63.106 1.00 0.50 C ATOM 0 H THR A 49 62.773 143.142 -63.549 1.00 0.42 H new ATOM 0 HA THR A 49 65.578 142.274 -63.647 1.00 0.38 H new ATOM 0 HB THR A 49 63.308 140.307 -63.290 1.00 0.37 H new ATOM 0 HG1 THR A 49 63.192 141.394 -61.372 1.00 0.53 H new ATOM 0 HG21 THR A 49 65.130 138.834 -62.516 1.00 0.50 H new ATOM 0 HG22 THR A 49 65.434 139.449 -64.158 1.00 0.50 H new ATOM 0 HG23 THR A 49 66.298 140.153 -62.770 1.00 0.50 H new ATOM 822 N ILE A 50 65.254 141.519 -66.011 1.00 0.38 N ATOM 823 CA ILE A 50 65.080 141.245 -67.431 1.00 0.38 C ATOM 824 C ILE A 50 64.464 139.867 -67.652 1.00 0.35 C ATOM 825 O ILE A 50 65.113 138.841 -67.447 1.00 0.38 O ATOM 826 CB ILE A 50 66.414 141.336 -68.202 1.00 0.44 C ATOM 827 CG1 ILE A 50 66.222 140.893 -69.654 1.00 0.69 C ATOM 828 CG2 ILE A 50 67.488 140.493 -67.527 1.00 0.66 C ATOM 829 CD1 ILE A 50 65.074 141.587 -70.354 1.00 0.56 C ATOM 0 H ILE A 50 66.224 141.527 -65.697 1.00 0.38 H new ATOM 0 HA ILE A 50 64.405 142.009 -67.816 1.00 0.38 H new ATOM 0 HB ILE A 50 66.742 142.375 -68.195 1.00 0.44 H new ATOM 0 HG12 ILE A 50 67.142 141.083 -70.207 1.00 0.69 H new ATOM 0 HG13 ILE A 50 66.053 139.816 -69.677 1.00 0.69 H new ATOM 0 HG21 ILE A 50 68.419 140.573 -68.088 1.00 0.66 H new ATOM 0 HG22 ILE A 50 67.646 140.851 -66.510 1.00 0.66 H new ATOM 0 HG23 ILE A 50 67.169 139.451 -67.500 1.00 0.66 H new ATOM 0 HD11 ILE A 50 64.999 141.223 -71.379 1.00 0.56 H new ATOM 0 HD12 ILE A 50 64.145 141.377 -69.825 1.00 0.56 H new ATOM 0 HD13 ILE A 50 65.250 142.663 -70.364 1.00 0.56 H new ATOM 841 N PHE A 51 63.205 139.855 -68.071 1.00 0.38 N ATOM 842 CA PHE A 51 62.495 138.608 -68.322 1.00 0.43 C ATOM 843 C PHE A 51 62.822 138.075 -69.714 1.00 0.54 C ATOM 844 O PHE A 51 62.265 138.533 -70.711 1.00 0.71 O ATOM 845 CB PHE A 51 60.987 138.822 -68.177 1.00 0.49 C ATOM 846 CG PHE A 51 60.507 138.801 -66.750 1.00 0.51 C ATOM 847 CD1 PHE A 51 61.390 139.006 -65.701 1.00 1.23 C ATOM 848 CD2 PHE A 51 59.170 138.578 -66.459 1.00 1.21 C ATOM 849 CE1 PHE A 51 60.949 138.988 -64.392 1.00 1.40 C ATOM 850 CE2 PHE A 51 58.725 138.558 -65.152 1.00 1.24 C ATOM 851 CZ PHE A 51 59.615 138.764 -64.117 1.00 0.87 C ATOM 0 H PHE A 51 62.654 140.696 -68.244 1.00 0.38 H new ATOM 0 HA PHE A 51 62.819 137.871 -67.587 1.00 0.43 H new ATOM 0 HB2 PHE A 51 60.720 139.778 -68.627 1.00 0.49 H new ATOM 0 HB3 PHE A 51 60.464 138.048 -68.739 1.00 0.49 H new ATOM 0 HD1 PHE A 51 62.435 139.182 -65.910 1.00 1.23 H new ATOM 0 HD2 PHE A 51 58.468 138.418 -67.264 1.00 1.21 H new ATOM 0 HE1 PHE A 51 61.648 139.149 -63.584 1.00 1.40 H new ATOM 0 HE2 PHE A 51 57.681 138.381 -64.940 1.00 1.24 H new ATOM 0 HZ PHE A 51 59.268 138.750 -63.094 1.00 0.87 H new ATOM 861 N LYS A 52 63.731 137.106 -69.771 1.00 0.62 N ATOM 862 CA LYS A 52 64.136 136.508 -71.041 1.00 0.77 C ATOM 863 C LYS A 52 63.386 135.202 -71.288 1.00 0.71 C ATOM 864 O LYS A 52 63.155 134.426 -70.365 1.00 0.86 O ATOM 865 CB LYS A 52 65.648 136.260 -71.059 1.00 0.95 C ATOM 866 CG LYS A 52 66.182 135.638 -69.779 1.00 1.30 C ATOM 867 CD LYS A 52 67.351 134.707 -70.055 1.00 1.74 C ATOM 868 CE LYS A 52 68.590 135.480 -70.482 1.00 1.74 C ATOM 869 NZ LYS A 52 69.734 135.259 -69.554 1.00 2.24 N ATOM 0 H LYS A 52 64.201 136.718 -68.953 1.00 0.62 H new ATOM 0 HA LYS A 52 63.886 137.206 -71.840 1.00 0.77 H new ATOM 0 HB2 LYS A 52 65.890 135.607 -71.898 1.00 0.95 H new ATOM 0 HB3 LYS A 52 66.160 137.206 -71.233 1.00 0.95 H new ATOM 0 HG2 LYS A 52 66.497 136.426 -69.095 1.00 1.30 H new ATOM 0 HG3 LYS A 52 65.385 135.085 -69.282 1.00 1.30 H new ATOM 0 HD2 LYS A 52 67.574 134.126 -69.160 1.00 1.74 H new ATOM 0 HD3 LYS A 52 67.076 133.998 -70.836 1.00 1.74 H new ATOM 0 HE2 LYS A 52 68.877 135.177 -71.489 1.00 1.74 H new ATOM 0 HE3 LYS A 52 68.357 136.544 -70.523 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 70.557 135.804 -69.882 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 69.471 135.571 -68.598 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 69.974 134.247 -69.534 1.00 2.24 H new ATOM 883 N ASP A 53 63.002 134.975 -72.539 1.00 0.63 N ATOM 884 CA ASP A 53 62.266 133.770 -72.918 1.00 0.64 C ATOM 885 C ASP A 53 62.988 132.493 -72.481 1.00 0.63 C ATOM 886 O ASP A 53 62.347 131.505 -72.126 1.00 0.74 O ATOM 887 CB ASP A 53 62.049 133.747 -74.432 1.00 0.73 C ATOM 888 CG ASP A 53 60.824 132.950 -74.839 1.00 1.66 C ATOM 889 OD1 ASP A 53 60.306 132.184 -74.002 1.00 2.42 O ATOM 890 OD2 ASP A 53 60.384 133.092 -75.998 1.00 2.40 O ATOM 0 H ASP A 53 63.188 135.612 -73.313 1.00 0.63 H new ATOM 0 HA ASP A 53 61.305 133.799 -72.405 1.00 0.64 H new ATOM 0 HB2 ASP A 53 61.949 134.770 -74.795 1.00 0.73 H new ATOM 0 HB3 ASP A 53 62.930 133.322 -74.914 1.00 0.73 H new ATOM 895 N HIS A 54 64.319 132.512 -72.518 1.00 0.63 N ATOM 896 CA HIS A 54 65.115 131.345 -72.135 1.00 0.69 C ATOM 897 C HIS A 54 65.138 131.146 -70.618 1.00 0.69 C ATOM 898 O HIS A 54 66.202 131.164 -70.000 1.00 1.20 O ATOM 899 CB HIS A 54 66.545 131.492 -72.661 1.00 0.84 C ATOM 900 CG HIS A 54 66.643 131.430 -74.154 1.00 1.10 C ATOM 901 ND1 HIS A 54 66.789 130.250 -74.851 1.00 1.34 N ATOM 902 CD2 HIS A 54 66.618 132.414 -75.085 1.00 1.84 C ATOM 903 CE1 HIS A 54 66.853 130.510 -76.145 1.00 1.59 C ATOM 904 NE2 HIS A 54 66.751 131.815 -76.314 1.00 1.92 N ATOM 0 H HIS A 54 64.869 133.320 -72.809 1.00 0.63 H new ATOM 0 HA HIS A 54 64.648 130.466 -72.580 1.00 0.69 H new ATOM 0 HB2 HIS A 54 66.954 132.442 -72.317 1.00 0.84 H new ATOM 0 HB3 HIS A 54 67.164 130.705 -72.231 1.00 0.84 H new ATOM 0 HD2 HIS A 54 66.513 133.472 -74.896 1.00 1.84 H new ATOM 0 HE1 HIS A 54 66.969 129.779 -76.931 1.00 1.59 H new ATOM 0 HE2 HIS A 54 66.768 132.300 -77.211 1.00 1.92 H new ATOM 913 N VAL A 55 63.960 130.946 -70.029 1.00 0.66 N ATOM 914 CA VAL A 55 63.835 130.734 -68.589 1.00 0.59 C ATOM 915 C VAL A 55 62.537 129.999 -68.263 1.00 0.53 C ATOM 916 O VAL A 55 61.798 129.601 -69.163 1.00 0.74 O ATOM 917 CB VAL A 55 63.831 132.065 -67.817 1.00 0.69 C ATOM 918 CG1 VAL A 55 65.068 132.892 -68.128 1.00 1.37 C ATOM 919 CG2 VAL A 55 62.568 132.840 -68.136 1.00 1.84 C ATOM 0 H VAL A 55 63.073 130.926 -70.532 1.00 0.66 H new ATOM 0 HA VAL A 55 64.697 130.140 -68.285 1.00 0.59 H new ATOM 0 HB VAL A 55 63.851 131.844 -66.750 1.00 0.69 H new ATOM 0 HG11 VAL A 55 65.033 133.825 -67.566 1.00 1.37 H new ATOM 0 HG12 VAL A 55 65.960 132.332 -67.846 1.00 1.37 H new ATOM 0 HG13 VAL A 55 65.100 133.112 -69.195 1.00 1.37 H new ATOM 0 HG21 VAL A 55 62.570 133.781 -67.587 1.00 1.84 H new ATOM 0 HG22 VAL A 55 62.527 133.044 -69.206 1.00 1.84 H new ATOM 0 HG23 VAL A 55 61.697 132.252 -67.845 1.00 1.84 H new ATOM 929 N SER A 56 62.257 129.839 -66.971 1.00 0.54 N ATOM 930 CA SER A 56 61.037 129.169 -66.529 1.00 0.53 C ATOM 931 C SER A 56 60.629 129.642 -65.135 1.00 0.46 C ATOM 932 O SER A 56 60.562 128.846 -64.199 1.00 0.45 O ATOM 933 CB SER A 56 61.217 127.647 -66.530 1.00 0.60 C ATOM 934 OG SER A 56 62.145 127.237 -67.521 1.00 1.33 O ATOM 0 H SER A 56 62.858 130.164 -66.213 1.00 0.54 H new ATOM 0 HA SER A 56 60.246 129.428 -67.232 1.00 0.53 H new ATOM 0 HB2 SER A 56 61.561 127.319 -65.549 1.00 0.60 H new ATOM 0 HB3 SER A 56 60.256 127.165 -66.708 1.00 0.60 H new ATOM 0 HG SER A 56 62.240 126.262 -67.497 1.00 1.33 H new ATOM 940 N LEU A 57 60.351 130.941 -65.011 1.00 0.45 N ATOM 941 CA LEU A 57 59.940 131.525 -63.733 1.00 0.42 C ATOM 942 C LEU A 57 60.844 131.050 -62.600 1.00 0.38 C ATOM 943 O LEU A 57 60.406 130.326 -61.706 1.00 0.61 O ATOM 944 CB LEU A 57 58.485 131.159 -63.425 1.00 0.45 C ATOM 945 CG LEU A 57 57.433 131.939 -64.216 1.00 0.42 C ATOM 946 CD1 LEU A 57 57.429 131.501 -65.671 1.00 0.68 C ATOM 947 CD2 LEU A 57 56.055 131.751 -63.598 1.00 0.42 C ATOM 0 H LEU A 57 60.403 131.609 -65.780 1.00 0.45 H new ATOM 0 HA LEU A 57 60.027 132.608 -63.814 1.00 0.42 H new ATOM 0 HB2 LEU A 57 58.346 130.095 -63.619 1.00 0.45 H new ATOM 0 HB3 LEU A 57 58.306 131.315 -62.361 1.00 0.45 H new ATOM 0 HG LEU A 57 57.686 132.998 -64.176 1.00 0.42 H new ATOM 0 HD11 LEU A 57 56.675 132.066 -66.219 1.00 0.68 H new ATOM 0 HD12 LEU A 57 58.410 131.685 -66.109 1.00 0.68 H new ATOM 0 HD13 LEU A 57 57.199 130.437 -65.730 1.00 0.68 H new ATOM 0 HD21 LEU A 57 55.319 132.313 -64.173 1.00 0.42 H new ATOM 0 HD22 LEU A 57 55.793 130.693 -63.608 1.00 0.42 H new ATOM 0 HD23 LEU A 57 56.065 132.113 -62.570 1.00 0.42 H new ATOM 959 N GLY A 58 62.105 131.458 -62.647 1.00 0.48 N ATOM 960 CA GLY A 58 63.051 131.059 -61.621 1.00 0.51 C ATOM 961 C GLY A 58 64.261 131.969 -61.557 1.00 0.53 C ATOM 962 O GLY A 58 64.697 132.357 -60.473 1.00 0.76 O ATOM 0 H GLY A 58 62.491 132.058 -63.376 1.00 0.48 H new ATOM 0 HA2 GLY A 58 62.551 131.057 -60.652 1.00 0.51 H new ATOM 0 HA3 GLY A 58 63.379 130.037 -61.812 1.00 0.51 H new ATOM 966 N ASP A 59 64.803 132.312 -62.722 1.00 0.55 N ATOM 967 CA ASP A 59 65.967 133.186 -62.802 1.00 0.62 C ATOM 968 C ASP A 59 65.673 134.554 -62.187 1.00 0.60 C ATOM 969 O ASP A 59 66.581 135.242 -61.720 1.00 0.73 O ATOM 970 CB ASP A 59 66.400 133.345 -64.262 1.00 0.67 C ATOM 971 CG ASP A 59 67.172 134.627 -64.508 1.00 1.01 C ATOM 972 OD1 ASP A 59 68.333 134.717 -64.055 1.00 1.84 O ATOM 973 OD2 ASP A 59 66.617 135.539 -65.157 1.00 1.49 O ATOM 0 H ASP A 59 64.452 131.996 -63.626 1.00 0.55 H new ATOM 0 HA ASP A 59 66.777 132.729 -62.234 1.00 0.62 H new ATOM 0 HB2 ASP A 59 67.017 132.494 -64.548 1.00 0.67 H new ATOM 0 HB3 ASP A 59 65.518 133.329 -64.902 1.00 0.67 H new ATOM 978 N TYR A 60 64.401 134.943 -62.184 1.00 0.54 N ATOM 979 CA TYR A 60 63.997 136.227 -61.623 1.00 0.55 C ATOM 980 C TYR A 60 63.207 136.042 -60.326 1.00 0.61 C ATOM 981 O TYR A 60 62.412 136.902 -59.951 1.00 1.09 O ATOM 982 CB TYR A 60 63.164 137.013 -62.642 1.00 0.54 C ATOM 983 CG TYR A 60 62.416 136.140 -63.620 1.00 0.39 C ATOM 984 CD1 TYR A 60 63.042 135.631 -64.748 1.00 0.39 C ATOM 985 CD2 TYR A 60 61.086 135.819 -63.407 1.00 0.42 C ATOM 986 CE1 TYR A 60 62.360 134.826 -65.635 1.00 0.41 C ATOM 987 CE2 TYR A 60 60.397 135.012 -64.288 1.00 0.42 C ATOM 988 CZ TYR A 60 61.037 134.518 -65.399 1.00 0.40 C ATOM 989 OH TYR A 60 60.351 133.708 -66.271 1.00 0.54 O ATOM 0 H TYR A 60 63.634 134.388 -62.563 1.00 0.54 H new ATOM 0 HA TYR A 60 64.900 136.791 -61.390 1.00 0.55 H new ATOM 0 HB2 TYR A 60 62.449 137.639 -62.108 1.00 0.54 H new ATOM 0 HB3 TYR A 60 63.822 137.682 -63.196 1.00 0.54 H new ATOM 0 HD1 TYR A 60 64.079 135.869 -64.934 1.00 0.39 H new ATOM 0 HD2 TYR A 60 60.579 136.207 -62.536 1.00 0.42 H new ATOM 0 HE1 TYR A 60 62.860 134.438 -66.511 1.00 0.41 H new ATOM 0 HE2 TYR A 60 59.360 134.770 -64.106 1.00 0.42 H new ATOM 0 HH TYR A 60 59.431 133.592 -65.955 1.00 0.54 H new ATOM 999 N GLU A 61 63.442 134.919 -59.643 1.00 0.53 N ATOM 1000 CA GLU A 61 62.763 134.619 -58.383 1.00 0.56 C ATOM 1001 C GLU A 61 61.248 134.752 -58.515 1.00 0.72 C ATOM 1002 O GLU A 61 60.674 135.792 -58.191 1.00 1.74 O ATOM 1003 CB GLU A 61 63.274 135.536 -57.271 1.00 0.71 C ATOM 1004 CG GLU A 61 63.222 134.901 -55.890 1.00 1.10 C ATOM 1005 CD GLU A 61 62.998 135.917 -54.788 1.00 1.94 C ATOM 1006 OE1 GLU A 61 63.262 137.115 -55.021 1.00 2.74 O ATOM 1007 OE2 GLU A 61 62.559 135.514 -53.690 1.00 2.48 O ATOM 0 H GLU A 61 64.100 134.201 -59.944 1.00 0.53 H new ATOM 0 HA GLU A 61 62.988 133.584 -58.127 1.00 0.56 H new ATOM 0 HB2 GLU A 61 64.302 135.824 -57.492 1.00 0.71 H new ATOM 0 HB3 GLU A 61 62.682 136.451 -57.264 1.00 0.71 H new ATOM 0 HG2 GLU A 61 62.422 134.161 -55.865 1.00 1.10 H new ATOM 0 HG3 GLU A 61 64.155 134.369 -55.704 1.00 1.10 H new ATOM 1014 N ILE A 62 60.604 133.690 -58.988 1.00 0.53 N ATOM 1015 CA ILE A 62 59.157 133.689 -59.161 1.00 0.47 C ATOM 1016 C ILE A 62 58.473 132.799 -58.130 1.00 0.55 C ATOM 1017 O ILE A 62 58.966 131.722 -57.796 1.00 0.82 O ATOM 1018 CB ILE A 62 58.762 133.211 -60.568 1.00 0.62 C ATOM 1019 CG1 ILE A 62 59.211 134.224 -61.616 1.00 1.16 C ATOM 1020 CG2 ILE A 62 57.262 132.985 -60.655 1.00 1.02 C ATOM 1021 CD1 ILE A 62 58.397 135.500 -61.618 1.00 0.89 C ATOM 0 H ILE A 62 61.062 132.819 -59.258 1.00 0.53 H new ATOM 0 HA ILE A 62 58.826 134.718 -59.023 1.00 0.47 H new ATOM 0 HB ILE A 62 59.262 132.263 -60.764 1.00 0.62 H new ATOM 0 HG12 ILE A 62 60.258 134.472 -61.443 1.00 1.16 H new ATOM 0 HG13 ILE A 62 59.151 133.764 -62.602 1.00 1.16 H new ATOM 0 HG21 ILE A 62 57.003 132.647 -61.658 1.00 1.02 H new ATOM 0 HG22 ILE A 62 56.965 132.228 -59.929 1.00 1.02 H new ATOM 0 HG23 ILE A 62 56.740 133.918 -60.440 1.00 1.02 H new ATOM 0 HD11 ILE A 62 58.775 136.171 -62.389 1.00 0.89 H new ATOM 0 HD12 ILE A 62 57.352 135.265 -61.822 1.00 0.89 H new ATOM 0 HD13 ILE A 62 58.477 135.984 -60.645 1.00 0.89 H new ATOM 1033 N HIS A 63 57.328 133.257 -57.636 1.00 0.55 N ATOM 1034 CA HIS A 63 56.562 132.506 -56.649 1.00 0.65 C ATOM 1035 C HIS A 63 55.103 132.400 -57.076 1.00 0.74 C ATOM 1036 O HIS A 63 54.638 133.170 -57.916 1.00 1.69 O ATOM 1037 CB HIS A 63 56.657 133.174 -55.276 1.00 0.80 C ATOM 1038 CG HIS A 63 57.565 134.365 -55.248 1.00 1.19 C ATOM 1039 ND1 HIS A 63 58.932 134.274 -55.412 1.00 2.12 N ATOM 1040 CD2 HIS A 63 57.297 135.681 -55.075 1.00 1.82 C ATOM 1041 CE1 HIS A 63 59.463 135.481 -55.341 1.00 2.87 C ATOM 1042 NE2 HIS A 63 58.493 136.352 -55.138 1.00 2.69 N ATOM 0 H HIS A 63 56.909 134.148 -57.904 1.00 0.55 H new ATOM 0 HA HIS A 63 56.983 131.503 -56.581 1.00 0.65 H new ATOM 0 HB2 HIS A 63 55.660 133.481 -54.961 1.00 0.80 H new ATOM 0 HB3 HIS A 63 57.009 132.442 -54.549 1.00 0.80 H new ATOM 0 HD2 HIS A 63 56.323 136.121 -54.917 1.00 1.82 H new ATOM 0 HE1 HIS A 63 60.513 135.715 -55.433 1.00 2.87 H new ATOM 0 HE2 HIS A 63 58.612 137.361 -55.043 1.00 2.69 H new ATOM 1051 N ASP A 64 54.387 131.442 -56.496 1.00 0.54 N ATOM 1052 CA ASP A 64 52.979 131.236 -56.821 1.00 0.51 C ATOM 1053 C ASP A 64 52.097 132.270 -56.122 1.00 0.57 C ATOM 1054 O ASP A 64 51.390 131.961 -55.163 1.00 1.02 O ATOM 1055 CB ASP A 64 52.544 129.815 -56.442 1.00 0.57 C ATOM 1056 CG ASP A 64 52.592 129.552 -54.946 1.00 1.35 C ATOM 1057 OD1 ASP A 64 53.625 129.862 -54.316 1.00 1.85 O ATOM 1058 OD2 ASP A 64 51.594 129.032 -54.405 1.00 2.29 O ATOM 0 H ASP A 64 54.758 130.796 -55.799 1.00 0.54 H new ATOM 0 HA ASP A 64 52.858 131.362 -57.897 1.00 0.51 H new ATOM 0 HB2 ASP A 64 51.529 129.645 -56.802 1.00 0.57 H new ATOM 0 HB3 ASP A 64 53.187 129.097 -56.951 1.00 0.57 H new ATOM 1063 N GLY A 65 52.144 133.503 -56.612 1.00 0.70 N ATOM 1064 CA GLY A 65 51.351 134.566 -56.027 1.00 0.74 C ATOM 1065 C GLY A 65 52.163 135.823 -55.784 1.00 0.79 C ATOM 1066 O GLY A 65 52.494 136.144 -54.643 1.00 1.31 O ATOM 0 H GLY A 65 52.719 133.785 -57.406 1.00 0.70 H new ATOM 0 HA2 GLY A 65 50.515 134.798 -56.687 1.00 0.74 H new ATOM 0 HA3 GLY A 65 50.926 134.222 -55.084 1.00 0.74 H new ATOM 1070 N MET A 66 52.485 136.534 -56.860 1.00 0.72 N ATOM 1071 CA MET A 66 53.265 137.763 -56.758 1.00 0.79 C ATOM 1072 C MET A 66 52.799 138.793 -57.781 1.00 0.63 C ATOM 1073 O MET A 66 52.100 138.460 -58.738 1.00 0.82 O ATOM 1074 CB MET A 66 54.753 137.472 -56.955 1.00 0.99 C ATOM 1075 CG MET A 66 55.027 136.341 -57.930 1.00 1.20 C ATOM 1076 SD MET A 66 56.165 136.819 -59.245 1.00 1.72 S ATOM 1077 CE MET A 66 57.702 136.957 -58.335 1.00 0.89 C ATOM 0 H MET A 66 52.218 136.281 -57.811 1.00 0.72 H new ATOM 0 HA MET A 66 53.112 138.173 -55.760 1.00 0.79 H new ATOM 0 HB2 MET A 66 55.247 138.376 -57.312 1.00 0.99 H new ATOM 0 HB3 MET A 66 55.197 137.225 -55.991 1.00 0.99 H new ATOM 0 HG2 MET A 66 55.441 135.491 -57.388 1.00 1.20 H new ATOM 0 HG3 MET A 66 54.087 136.010 -58.371 1.00 1.20 H new ATOM 0 HE1 MET A 66 58.499 137.264 -59.012 1.00 0.89 H new ATOM 0 HE2 MET A 66 57.591 137.699 -57.544 1.00 0.89 H new ATOM 0 HE3 MET A 66 57.952 135.992 -57.895 1.00 0.89 H new ATOM 1087 N ASN A 67 53.195 140.044 -57.573 1.00 0.62 N ATOM 1088 CA ASN A 67 52.822 141.126 -58.476 1.00 0.52 C ATOM 1089 C ASN A 67 53.996 141.522 -59.365 1.00 0.48 C ATOM 1090 O ASN A 67 55.155 141.420 -58.963 1.00 0.88 O ATOM 1091 CB ASN A 67 52.336 142.339 -57.681 1.00 0.70 C ATOM 1092 CG ASN A 67 50.874 142.644 -57.934 1.00 1.67 C ATOM 1093 OD1 ASN A 67 50.537 143.632 -58.585 1.00 2.50 O ATOM 1094 ND2 ASN A 67 49.995 141.791 -57.420 1.00 2.29 N ATOM 0 H ASN A 67 53.775 140.334 -56.786 1.00 0.62 H new ATOM 0 HA ASN A 67 52.012 140.771 -59.113 1.00 0.52 H new ATOM 0 HB2 ASN A 67 52.488 142.158 -56.617 1.00 0.70 H new ATOM 0 HB3 ASN A 67 52.937 143.209 -57.946 1.00 0.70 H new ATOM 0 HD21 ASN A 67 48.996 141.943 -57.559 1.00 2.29 H new ATOM 0 HD22 ASN A 67 50.319 140.984 -56.886 1.00 2.29 H new ATOM 1101 N LEU A 68 53.686 141.970 -60.577 1.00 0.54 N ATOM 1102 CA LEU A 68 54.711 142.378 -61.531 1.00 0.50 C ATOM 1103 C LEU A 68 54.382 143.740 -62.130 1.00 0.45 C ATOM 1104 O LEU A 68 53.217 144.057 -62.373 1.00 0.56 O ATOM 1105 CB LEU A 68 54.840 141.338 -62.647 1.00 0.53 C ATOM 1106 CG LEU A 68 55.166 139.917 -62.181 1.00 0.61 C ATOM 1107 CD1 LEU A 68 53.900 139.181 -61.772 1.00 0.69 C ATOM 1108 CD2 LEU A 68 55.894 139.153 -63.277 1.00 0.81 C ATOM 0 H LEU A 68 52.731 142.060 -60.923 1.00 0.54 H new ATOM 0 HA LEU A 68 55.659 142.452 -60.999 1.00 0.50 H new ATOM 0 HB2 LEU A 68 53.906 141.314 -63.208 1.00 0.53 H new ATOM 0 HB3 LEU A 68 55.618 141.664 -63.337 1.00 0.53 H new ATOM 0 HG LEU A 68 55.819 139.984 -61.311 1.00 0.61 H new ATOM 0 HD11 LEU A 68 54.155 138.173 -61.444 1.00 0.69 H new ATOM 0 HD12 LEU A 68 53.416 139.716 -60.956 1.00 0.69 H new ATOM 0 HD13 LEU A 68 53.221 139.125 -62.623 1.00 0.69 H new ATOM 0 HD21 LEU A 68 56.119 138.144 -62.930 1.00 0.81 H new ATOM 0 HD22 LEU A 68 55.263 139.099 -64.164 1.00 0.81 H new ATOM 0 HD23 LEU A 68 56.823 139.667 -63.523 1.00 0.81 H new ATOM 1120 N GLU A 69 55.414 144.544 -62.372 1.00 0.37 N ATOM 1121 CA GLU A 69 55.223 145.868 -62.949 1.00 0.40 C ATOM 1122 C GLU A 69 55.023 145.773 -64.454 1.00 0.38 C ATOM 1123 O GLU A 69 55.794 145.116 -65.154 1.00 0.52 O ATOM 1124 CB GLU A 69 56.418 146.766 -62.637 1.00 0.47 C ATOM 1125 CG GLU A 69 56.462 147.235 -61.193 1.00 0.87 C ATOM 1126 CD GLU A 69 57.801 146.969 -60.537 1.00 1.21 C ATOM 1127 OE1 GLU A 69 58.824 146.999 -61.252 1.00 1.78 O ATOM 1128 OE2 GLU A 69 57.827 146.731 -59.312 1.00 1.86 O ATOM 0 H GLU A 69 56.386 144.302 -62.178 1.00 0.37 H new ATOM 0 HA GLU A 69 54.329 146.306 -62.505 1.00 0.40 H new ATOM 0 HB2 GLU A 69 57.337 146.226 -62.864 1.00 0.47 H new ATOM 0 HB3 GLU A 69 56.390 147.636 -63.293 1.00 0.47 H new ATOM 0 HG2 GLU A 69 56.248 148.303 -61.155 1.00 0.87 H new ATOM 0 HG3 GLU A 69 55.678 146.732 -60.627 1.00 0.87 H new ATOM 1135 N LEU A 70 53.978 146.427 -64.945 1.00 0.37 N ATOM 1136 CA LEU A 70 53.665 146.413 -66.366 1.00 0.37 C ATOM 1137 C LEU A 70 53.552 147.832 -66.913 1.00 0.37 C ATOM 1138 O LEU A 70 52.519 148.485 -66.764 1.00 0.41 O ATOM 1139 CB LEU A 70 52.361 145.651 -66.605 1.00 0.42 C ATOM 1140 CG LEU A 70 52.253 144.956 -67.961 1.00 0.55 C ATOM 1141 CD1 LEU A 70 50.946 144.185 -68.057 1.00 0.99 C ATOM 1142 CD2 LEU A 70 52.361 145.972 -69.086 1.00 1.06 C ATOM 0 H LEU A 70 53.332 146.975 -64.377 1.00 0.37 H new ATOM 0 HA LEU A 70 54.476 145.910 -66.892 1.00 0.37 H new ATOM 0 HB2 LEU A 70 52.247 144.902 -65.821 1.00 0.42 H new ATOM 0 HB3 LEU A 70 51.528 146.347 -66.504 1.00 0.42 H new ATOM 0 HG LEU A 70 53.077 144.249 -68.058 1.00 0.55 H new ATOM 0 HD11 LEU A 70 50.883 143.695 -69.029 1.00 0.99 H new ATOM 0 HD12 LEU A 70 50.908 143.433 -67.268 1.00 0.99 H new ATOM 0 HD13 LEU A 70 50.108 144.873 -67.943 1.00 0.99 H new ATOM 0 HD21 LEU A 70 52.282 145.462 -70.046 1.00 1.06 H new ATOM 0 HD22 LEU A 70 51.556 146.702 -68.996 1.00 1.06 H new ATOM 0 HD23 LEU A 70 53.322 146.482 -69.024 1.00 1.06 H new ATOM 1154 N TYR A 71 54.618 148.302 -67.550 1.00 0.41 N ATOM 1155 CA TYR A 71 54.636 149.643 -68.122 1.00 0.45 C ATOM 1156 C TYR A 71 54.353 149.594 -69.620 1.00 0.48 C ATOM 1157 O TYR A 71 54.968 148.819 -70.351 1.00 0.53 O ATOM 1158 CB TYR A 71 55.988 150.315 -67.875 1.00 0.47 C ATOM 1159 CG TYR A 71 56.536 150.098 -66.482 1.00 0.43 C ATOM 1160 CD1 TYR A 71 55.880 150.607 -65.368 1.00 1.32 C ATOM 1161 CD2 TYR A 71 57.713 149.388 -66.282 1.00 1.17 C ATOM 1162 CE1 TYR A 71 56.382 150.415 -64.094 1.00 1.30 C ATOM 1163 CE2 TYR A 71 58.222 149.192 -65.013 1.00 1.24 C ATOM 1164 CZ TYR A 71 57.553 149.707 -63.922 1.00 0.53 C ATOM 1165 OH TYR A 71 58.059 149.516 -62.657 1.00 0.63 O ATOM 0 H TYR A 71 55.481 147.775 -67.683 1.00 0.41 H new ATOM 0 HA TYR A 71 53.855 150.227 -67.634 1.00 0.45 H new ATOM 0 HB2 TYR A 71 56.708 149.937 -68.601 1.00 0.47 H new ATOM 0 HB3 TYR A 71 55.888 151.386 -68.053 1.00 0.47 H new ATOM 0 HD1 TYR A 71 54.963 151.162 -65.499 1.00 1.32 H new ATOM 0 HD2 TYR A 71 58.239 148.982 -67.133 1.00 1.17 H new ATOM 0 HE1 TYR A 71 55.860 150.817 -63.238 1.00 1.30 H new ATOM 0 HE2 TYR A 71 59.139 148.638 -64.876 1.00 1.24 H new ATOM 0 HH TYR A 71 58.427 148.611 -62.585 1.00 0.63 H new ATOM 1175 N TYR A 72 53.423 150.428 -70.073 1.00 0.51 N ATOM 1176 CA TYR A 72 53.070 150.477 -71.487 1.00 0.56 C ATOM 1177 C TYR A 72 53.649 151.721 -72.148 1.00 0.65 C ATOM 1178 O TYR A 72 53.405 152.842 -71.704 1.00 1.28 O ATOM 1179 CB TYR A 72 51.551 150.464 -71.661 1.00 0.60 C ATOM 1180 CG TYR A 72 50.919 149.118 -71.397 1.00 0.71 C ATOM 1181 CD1 TYR A 72 51.421 147.964 -71.983 1.00 1.54 C ATOM 1182 CD2 TYR A 72 49.818 149.003 -70.559 1.00 1.41 C ATOM 1183 CE1 TYR A 72 50.842 146.734 -71.742 1.00 2.18 C ATOM 1184 CE2 TYR A 72 49.235 147.777 -70.312 1.00 1.93 C ATOM 1185 CZ TYR A 72 49.750 146.645 -70.905 1.00 2.15 C ATOM 1186 OH TYR A 72 49.172 145.421 -70.661 1.00 2.92 O ATOM 0 H TYR A 72 52.902 151.077 -69.484 1.00 0.51 H new ATOM 0 HA TYR A 72 53.493 149.595 -71.967 1.00 0.56 H new ATOM 0 HB2 TYR A 72 51.111 151.200 -70.988 1.00 0.60 H new ATOM 0 HB3 TYR A 72 51.308 150.776 -72.677 1.00 0.60 H new ATOM 0 HD1 TYR A 72 52.278 148.029 -72.637 1.00 1.54 H new ATOM 0 HD2 TYR A 72 49.411 149.888 -70.093 1.00 1.41 H new ATOM 0 HE1 TYR A 72 51.243 145.845 -72.207 1.00 2.18 H new ATOM 0 HE2 TYR A 72 48.379 147.705 -69.657 1.00 1.93 H new ATOM 0 HH TYR A 72 48.719 145.441 -69.792 1.00 2.92 H new ATOM 1196 N GLN A 73 54.412 151.516 -73.214 1.00 0.98 N ATOM 1197 CA GLN A 73 55.021 152.623 -73.941 1.00 1.17 C ATOM 1198 C GLN A 73 55.011 152.350 -75.440 1.00 1.85 C ATOM 1199 O GLN A 73 55.666 153.107 -76.186 1.00 2.58 O ATOM 1200 CB GLN A 73 56.453 152.857 -73.456 1.00 1.67 C ATOM 1201 CG GLN A 73 56.537 153.739 -72.220 1.00 2.41 C ATOM 1202 CD GLN A 73 57.709 154.699 -72.265 1.00 3.35 C ATOM 1203 OE1 GLN A 73 58.661 154.502 -73.020 1.00 3.80 O ATOM 1204 NE2 GLN A 73 57.644 155.748 -71.453 1.00 4.09 N ATOM 1205 OXT GLN A 73 54.343 151.380 -75.855 1.00 2.51 O ATOM 0 H GLN A 73 54.624 150.594 -73.595 1.00 0.98 H new ATOM 0 HA GLN A 73 54.435 153.522 -73.749 1.00 1.17 H new ATOM 0 HB2 GLN A 73 56.917 151.895 -73.238 1.00 1.67 H new ATOM 0 HB3 GLN A 73 57.030 153.315 -74.259 1.00 1.67 H new ATOM 0 HG2 GLN A 73 55.612 154.306 -72.120 1.00 2.41 H new ATOM 0 HG3 GLN A 73 56.622 153.109 -71.334 1.00 2.41 H new ATOM 0 HE21 GLN A 73 56.835 155.872 -70.844 1.00 4.09 H new ATOM 0 HE22 GLN A 73 58.403 156.430 -71.439 1.00 4.09 H new TER 1214 GLN A 73 END