USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) HEADER BACTERIOCIN 30-MAY-96 1IMQ TITLE COLICIN E9 IMMUNITY PROTEIN IM9, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: IM9; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: JM105 KEYWDS IMMUNITY PROTEIN, BACTERIOCIN, PLASMID, COLICIN EXPDTA SOLUTION NMR AUTHOR M.J.OSBORNE,A.L.BREEZE,L.Y.LIAN,A.REILLY,R.JAMES, AUTHOR 2 C.KLEANTHOUS,G.R.MOORE REVDAT 3 24-FEB-09 1IMQ 1 VERSN REVDAT 2 22-MAR-05 1IMQ 1 TITLE AUTHOR REVDAT 1 07-JUL-97 1IMQ 0 JRNL AUTH M.J.OSBORNE,A.L.BREEZE,L.Y.LIAN,A.REILLY,R.JAMES, JRNL AUTH 2 C.KLEANTHOUS,G.R.MOORE JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C JRNL TITL 2 NUCLEAR MAGNETIC RESONANCE ASSIGNMENTS OF THE JRNL TITL 3 COLICIN E9 IMMUNITY PROTEIN IM9. JRNL REF BIOCHEMISTRY V. 35 9505 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8755730 JRNL DOI 10.1021/BI960401K REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.J.OSBORNE,L.Y.LIAN,R.WALLIS,A.REILLY,R.JAMES, REMARK 1 AUTH 2 C.KLEANTHOUS,G.R.MOORE REMARK 1 TITL SEQUENTIAL ASSIGNMENTS AND IDENTIFICATION OF REMARK 1 TITL 2 SECONDARY STRUCTURE ELEMENTS OF THE COLICIN E9 REMARK 1 TITL 3 IMMUNITY PROTEIN IN SOLUTION BY HOMONUCLEAR AND REMARK 1 TITL 4 HETERONUCLEAR NMR REMARK 1 REF BIOCHEMISTRY V. 33 12347 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DIANA REMARK 3 AUTHORS : WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IMQ 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 CD LYS A 4 OD1 ASP A 9 1.56 REMARK 500 OG SER A 48 CB ASP A 51 1.86 REMARK 500 CE LYS A 4 OD1 ASP A 9 1.93 REMARK 500 O THR A 44 N HIS A 46 1.95 REMARK 500 O ILE A 22 CD2 LEU A 33 2.07 REMARK 500 NZ LYS A 4 OD1 ASP A 9 2.07 REMARK 500 CD2 LEU A 3 OH TYR A 10 2.10 REMARK 500 CD LYS A 4 CG ASP A 9 2.11 REMARK 500 O SER A 65 N ILE A 67 2.13 REMARK 500 REMARK 500 REMARK: NULL 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 GLU A 2 107.59 -172.79 REMARK 500 LEU A 3 -152.88 -83.12 REMARK 500 LYS A 4 -161.55 -106.32 REMARK 500 SER A 6 -161.25 -164.00 REMARK 500 SER A 29 -178.36 144.97 REMARK 500 MET A 43 -70.56 -88.52 REMARK 500 GLU A 45 -11.07 44.27 REMARK 500 HIS A 46 163.42 -16.28 REMARK 500 TYR A 55 61.67 -151.91 REMARK 500 LYS A 57 149.31 -36.47 REMARK 500 ASP A 60 -143.87 -89.97 REMARK 500 SER A 63 162.33 -32.47 REMARK 500 SER A 65 -76.64 -74.02 REMARK 500 PHE A 83 -168.74 -79.18 REMARK 500 LYS A 84 -139.05 -68.62 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IMP RELATED DB: PDB DBREF 1IMQ A 1 86 UNP P13479 IMM9_ECOLI 1 86 SEQRES 1 A 86 MET GLU LEU LYS HIS SER ILE SER ASP TYR THR GLU ALA SEQRES 2 A 86 GLU PHE LEU GLN LEU VAL THR THR ILE CYS ASN ALA ASP SEQRES 3 A 86 THR SER SER GLU GLU GLU LEU VAL LYS LEU VAL THR HIS SEQRES 4 A 86 PHE GLU GLU MET THR GLU HIS PRO SER GLY SER ASP LEU SEQRES 5 A 86 ILE TYR TYR PRO LYS GLU GLY ASP ASP ASP SER PRO SER SEQRES 6 A 86 GLY ILE VAL ASN THR VAL LYS GLN TRP ARG ALA ALA ASN SEQRES 7 A 86 GLY LYS SER GLY PHE LYS GLN GLY HELIX 1 1 GLU A 12 CYS A 23 1 12 HELIX 2 2 GLU A 30 THR A 44 1 15 HELIX 3 3 GLY A 49 TYR A 54 5 6 HELIX 4 4 SER A 65 ALA A 77 1 13 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 10 TYR OH : rot -3:sc= -15.5! USER MOD Set 1.2: A 39 HIS : no HD1:sc= -36.3! C(o=-63!,f=-66!) USER MOD Set 1.3: A 43 MET CE :methyl 140:sc= -11.2! (180deg=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.939) USER MOD Single : A 5 HIS : no HD1:sc=-0.00964 X(o=-0.0096,f=0) USER MOD Single : A 6 SER OG : rot 47:sc= 0.266 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.11! USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 20 THR OG1 : rot 103:sc= 0.388 USER MOD Single : A 21 THR OG1 : rot 70:sc= 0.0265 USER MOD Single : A 23 CYS SG : rot -165:sc= -11.2! USER MOD Single : A 24 ASN : amide:sc= -5.28! C(o=-5.3!,f=-3.1!) USER MOD Single : A 27 THR OG1 : rot 129:sc= -0.434 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 60:sc= 0.733 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 43:sc= -2.77! USER MOD Single : A 46 HIS : no HD1:sc= -16.2! C(o=-16!,f=-18!) USER MOD Single : A 48 SER OG : rot -178:sc= -15.8! USER MOD Single : A 50 SER OG : rot 180:sc= 0.136 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.0128 (180deg=-0.191) USER MOD Single : A 63 SER OG : rot 180:sc= 0.041 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.235 K(o=-0.24,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.526 0.885 -0.995 1.00 3.67 N ATOM 2 CA MET A 1 1.811 1.326 -0.383 1.00 2.99 C ATOM 3 C MET A 1 2.398 2.476 -1.204 1.00 2.26 C ATOM 4 O MET A 1 1.936 3.598 -1.136 1.00 2.75 O ATOM 5 CB MET A 1 2.797 0.155 -0.368 1.00 3.63 C ATOM 6 CG MET A 1 4.052 0.553 0.413 1.00 4.11 C ATOM 7 SD MET A 1 3.611 0.882 2.137 1.00 5.14 S ATOM 8 CE MET A 1 4.019 2.645 2.143 1.00 5.91 C ATOM 0 H1 MET A 1 0.126 0.103 -0.438 1.00 3.67 H new ATOM 0 H2 MET A 1 -0.144 1.680 -1.006 1.00 3.67 H new ATOM 0 H3 MET A 1 0.698 0.563 -1.969 1.00 3.67 H new ATOM 0 HA MET A 1 1.631 1.663 0.638 1.00 2.99 H new ATOM 0 HB2 MET A 1 2.333 -0.719 0.090 1.00 3.63 H new ATOM 0 HB3 MET A 1 3.063 -0.123 -1.388 1.00 3.63 H new ATOM 0 HG2 MET A 1 4.793 -0.245 0.362 1.00 4.11 H new ATOM 0 HG3 MET A 1 4.505 1.438 -0.033 1.00 4.11 H new ATOM 0 HE1 MET A 1 3.819 3.061 3.130 1.00 5.91 H new ATOM 0 HE2 MET A 1 5.074 2.775 1.901 1.00 5.91 H new ATOM 0 HE3 MET A 1 3.410 3.162 1.401 1.00 5.91 H new ATOM 20 N GLU A 2 3.413 2.208 -1.979 1.00 1.84 N ATOM 21 CA GLU A 2 4.027 3.287 -2.802 1.00 1.88 C ATOM 22 C GLU A 2 5.069 2.680 -3.745 1.00 1.44 C ATOM 23 O GLU A 2 6.136 2.275 -3.328 1.00 1.58 O ATOM 24 CB GLU A 2 4.703 4.308 -1.884 1.00 2.98 C ATOM 25 CG GLU A 2 4.311 5.723 -2.317 1.00 3.47 C ATOM 26 CD GLU A 2 3.059 6.161 -1.555 1.00 4.47 C ATOM 27 OE1 GLU A 2 3.158 6.358 -0.355 1.00 4.84 O ATOM 28 OE2 GLU A 2 2.023 6.293 -2.185 1.00 5.15 O ATOM 0 H GLU A 2 3.843 1.288 -2.078 1.00 1.84 H new ATOM 0 HA GLU A 2 3.252 3.782 -3.387 1.00 1.88 H new ATOM 0 HB2 GLU A 2 4.404 4.137 -0.850 1.00 2.98 H new ATOM 0 HB3 GLU A 2 5.786 4.190 -1.927 1.00 2.98 H new ATOM 0 HG2 GLU A 2 5.130 6.415 -2.121 1.00 3.47 H new ATOM 0 HG3 GLU A 2 4.124 5.748 -3.390 1.00 3.47 H new ATOM 35 N LEU A 3 4.769 2.616 -5.014 1.00 1.06 N ATOM 36 CA LEU A 3 5.733 2.042 -5.984 1.00 0.72 C ATOM 37 C LEU A 3 6.743 3.105 -6.389 1.00 0.63 C ATOM 38 O LEU A 3 7.030 4.028 -5.653 1.00 1.03 O ATOM 39 CB LEU A 3 4.972 1.579 -7.221 1.00 0.63 C ATOM 40 CG LEU A 3 5.426 0.182 -7.611 1.00 0.70 C ATOM 41 CD1 LEU A 3 4.762 -0.226 -8.924 1.00 0.79 C ATOM 42 CD2 LEU A 3 6.934 0.193 -7.781 1.00 0.74 C ATOM 0 H LEU A 3 3.891 2.940 -5.419 1.00 1.06 H new ATOM 0 HA LEU A 3 6.255 1.201 -5.528 1.00 0.72 H new ATOM 0 HB2 LEU A 3 3.900 1.581 -7.022 1.00 0.63 H new ATOM 0 HB3 LEU A 3 5.144 2.271 -8.045 1.00 0.63 H new ATOM 0 HG LEU A 3 5.144 -0.532 -6.837 1.00 0.70 H new ATOM 0 HD11 LEU A 3 5.089 -1.228 -9.201 1.00 0.79 H new ATOM 0 HD12 LEU A 3 3.679 -0.219 -8.802 1.00 0.79 H new ATOM 0 HD13 LEU A 3 5.043 0.477 -9.708 1.00 0.79 H new ATOM 0 HD21 LEU A 3 7.276 -0.803 -8.061 1.00 0.74 H new ATOM 0 HD22 LEU A 3 7.207 0.903 -8.562 1.00 0.74 H new ATOM 0 HD23 LEU A 3 7.404 0.487 -6.842 1.00 0.74 H new ATOM 54 N LYS A 4 7.279 2.973 -7.560 1.00 0.42 N ATOM 55 CA LYS A 4 8.275 3.963 -8.046 1.00 0.42 C ATOM 56 C LYS A 4 7.628 4.849 -9.111 1.00 0.41 C ATOM 57 O LYS A 4 6.420 4.930 -9.213 1.00 0.54 O ATOM 58 CB LYS A 4 9.474 3.227 -8.627 1.00 0.55 C ATOM 59 CG LYS A 4 10.323 2.723 -7.468 1.00 0.79 C ATOM 60 CD LYS A 4 11.801 2.952 -7.771 1.00 1.13 C ATOM 61 CE LYS A 4 12.596 2.960 -6.464 1.00 1.62 C ATOM 62 NZ LYS A 4 13.958 3.512 -6.713 1.00 1.65 N ATOM 0 H LYS A 4 7.070 2.216 -8.211 1.00 0.42 H new ATOM 0 HA LYS A 4 8.611 4.590 -7.220 1.00 0.42 H new ATOM 0 HB2 LYS A 4 9.145 2.394 -9.249 1.00 0.55 H new ATOM 0 HB3 LYS A 4 10.056 3.891 -9.265 1.00 0.55 H new ATOM 0 HG2 LYS A 4 10.046 3.242 -6.550 1.00 0.79 H new ATOM 0 HG3 LYS A 4 10.136 1.662 -7.303 1.00 0.79 H new ATOM 0 HD2 LYS A 4 12.173 2.168 -8.430 1.00 1.13 H new ATOM 0 HD3 LYS A 4 11.933 3.899 -8.295 1.00 1.13 H new ATOM 0 HE2 LYS A 4 12.080 3.561 -5.716 1.00 1.62 H new ATOM 0 HE3 LYS A 4 12.670 1.948 -6.065 1.00 1.62 H new ATOM 0 HZ1 LYS A 4 14.567 3.317 -5.893 1.00 1.65 H new ATOM 0 HZ2 LYS A 4 14.364 3.065 -7.559 1.00 1.65 H new ATOM 0 HZ3 LYS A 4 13.894 4.539 -6.861 1.00 1.65 H new ATOM 76 N HIS A 5 8.416 5.515 -9.903 1.00 0.47 N ATOM 77 CA HIS A 5 7.840 6.396 -10.957 1.00 0.55 C ATOM 78 C HIS A 5 7.769 5.630 -12.279 1.00 0.46 C ATOM 79 O HIS A 5 6.719 5.495 -12.875 1.00 0.53 O ATOM 80 CB HIS A 5 8.725 7.630 -11.131 1.00 0.74 C ATOM 81 CG HIS A 5 8.095 8.563 -12.128 1.00 1.37 C ATOM 82 ND1 HIS A 5 8.848 9.298 -13.030 1.00 2.01 N ATOM 83 CD2 HIS A 5 6.786 8.892 -12.377 1.00 2.19 C ATOM 84 CE1 HIS A 5 7.995 10.026 -13.773 1.00 2.55 C ATOM 85 NE2 HIS A 5 6.725 9.816 -13.416 1.00 2.64 N ATOM 0 H HIS A 5 9.435 5.489 -9.868 1.00 0.47 H new ATOM 0 HA HIS A 5 6.838 6.707 -10.662 1.00 0.55 H new ATOM 0 HB2 HIS A 5 8.854 8.136 -10.174 1.00 0.74 H new ATOM 0 HB3 HIS A 5 9.717 7.334 -11.471 1.00 0.74 H new ATOM 0 HD2 HIS A 5 5.933 8.494 -11.847 1.00 2.19 H new ATOM 0 HE1 HIS A 5 8.300 10.698 -14.562 1.00 2.55 H new ATOM 0 HE2 HIS A 5 5.890 10.241 -13.818 1.00 2.64 H new ATOM 93 N SER A 6 8.881 5.131 -12.743 1.00 0.44 N ATOM 94 CA SER A 6 8.886 4.380 -14.024 1.00 0.41 C ATOM 95 C SER A 6 10.184 3.579 -14.140 1.00 0.34 C ATOM 96 O SER A 6 10.862 3.338 -13.162 1.00 0.35 O ATOM 97 CB SER A 6 8.786 5.355 -15.173 1.00 0.45 C ATOM 98 OG SER A 6 7.473 5.314 -15.716 1.00 1.23 O ATOM 0 H SER A 6 9.789 5.213 -12.286 1.00 0.44 H new ATOM 0 HA SER A 6 8.038 3.696 -14.052 1.00 0.41 H new ATOM 0 HB2 SER A 6 9.018 6.363 -14.830 1.00 0.45 H new ATOM 0 HB3 SER A 6 9.517 5.104 -15.942 1.00 0.45 H new ATOM 0 HG SER A 6 6.817 5.357 -14.989 1.00 1.23 H new ATOM 104 N ILE A 7 10.538 3.165 -15.325 1.00 0.33 N ATOM 105 CA ILE A 7 11.795 2.386 -15.493 1.00 0.29 C ATOM 106 C ILE A 7 12.965 3.195 -14.929 1.00 0.32 C ATOM 107 O ILE A 7 14.025 2.667 -14.657 1.00 0.33 O ATOM 108 CB ILE A 7 12.030 2.112 -16.980 1.00 0.30 C ATOM 109 CG1 ILE A 7 12.670 0.733 -17.150 1.00 0.24 C ATOM 110 CG2 ILE A 7 12.962 3.179 -17.558 1.00 0.42 C ATOM 111 CD1 ILE A 7 11.634 -0.242 -17.711 1.00 0.32 C ATOM 0 H ILE A 7 10.012 3.332 -16.183 1.00 0.33 H new ATOM 0 HA ILE A 7 11.715 1.438 -14.961 1.00 0.29 H new ATOM 0 HB ILE A 7 11.076 2.139 -17.507 1.00 0.30 H new ATOM 0 HG12 ILE A 7 13.526 0.797 -17.822 1.00 0.24 H new ATOM 0 HG13 ILE A 7 13.043 0.372 -16.191 1.00 0.24 H new ATOM 0 HG21 ILE A 7 13.128 2.982 -18.617 1.00 0.42 H new ATOM 0 HG22 ILE A 7 12.507 4.162 -17.439 1.00 0.42 H new ATOM 0 HG23 ILE A 7 13.915 3.154 -17.030 1.00 0.42 H new ATOM 0 HD11 ILE A 7 12.088 -1.225 -17.833 1.00 0.32 H new ATOM 0 HD12 ILE A 7 10.792 -0.314 -17.023 1.00 0.32 H new ATOM 0 HD13 ILE A 7 11.282 0.117 -18.678 1.00 0.32 H new ATOM 123 N SER A 8 12.777 4.474 -14.748 1.00 0.38 N ATOM 124 CA SER A 8 13.873 5.321 -14.200 1.00 0.44 C ATOM 125 C SER A 8 14.059 5.009 -12.713 1.00 0.44 C ATOM 126 O SER A 8 15.119 5.211 -12.155 1.00 0.50 O ATOM 127 CB SER A 8 13.511 6.797 -14.370 1.00 0.54 C ATOM 128 OG SER A 8 14.688 7.585 -14.252 1.00 1.13 O ATOM 0 H SER A 8 11.910 4.969 -14.957 1.00 0.38 H new ATOM 0 HA SER A 8 14.799 5.111 -14.736 1.00 0.44 H new ATOM 0 HB2 SER A 8 13.046 6.960 -15.342 1.00 0.54 H new ATOM 0 HB3 SER A 8 12.783 7.094 -13.615 1.00 0.54 H new ATOM 0 HG SER A 8 14.460 8.532 -14.362 1.00 1.13 H new ATOM 134 N ASP A 9 13.038 4.515 -12.069 1.00 0.43 N ATOM 135 CA ASP A 9 13.159 4.187 -10.622 1.00 0.46 C ATOM 136 C ASP A 9 13.873 2.845 -10.463 1.00 0.43 C ATOM 137 O ASP A 9 14.450 2.555 -9.434 1.00 0.52 O ATOM 138 CB ASP A 9 11.776 4.101 -9.995 1.00 0.53 C ATOM 139 CG ASP A 9 11.767 4.866 -8.670 1.00 1.45 C ATOM 140 OD1 ASP A 9 12.389 4.394 -7.732 1.00 2.19 O ATOM 141 OD2 ASP A 9 11.139 5.910 -8.616 1.00 2.13 O ATOM 0 H ASP A 9 12.125 4.324 -12.483 1.00 0.43 H new ATOM 0 HA ASP A 9 13.732 4.969 -10.123 1.00 0.46 H new ATOM 0 HB2 ASP A 9 11.031 4.518 -10.673 1.00 0.53 H new ATOM 0 HB3 ASP A 9 11.506 3.059 -9.827 1.00 0.53 H new ATOM 146 N TYR A 10 13.842 2.023 -11.477 1.00 0.39 N ATOM 147 CA TYR A 10 14.522 0.701 -11.385 1.00 0.38 C ATOM 148 C TYR A 10 15.616 0.616 -12.452 1.00 0.33 C ATOM 149 O TYR A 10 15.424 1.012 -13.585 1.00 0.31 O ATOM 150 CB TYR A 10 13.503 -0.418 -11.613 1.00 0.42 C ATOM 151 CG TYR A 10 12.296 -0.188 -10.736 1.00 0.45 C ATOM 152 CD1 TYR A 10 12.310 -0.615 -9.402 1.00 1.23 C ATOM 153 CD2 TYR A 10 11.164 0.450 -11.256 1.00 1.39 C ATOM 154 CE1 TYR A 10 11.190 -0.403 -8.589 1.00 1.30 C ATOM 155 CE2 TYR A 10 10.045 0.662 -10.442 1.00 1.52 C ATOM 156 CZ TYR A 10 10.058 0.235 -9.109 1.00 0.87 C ATOM 157 OH TYR A 10 8.955 0.444 -8.306 1.00 1.12 O ATOM 0 H TYR A 10 13.375 2.210 -12.364 1.00 0.39 H new ATOM 0 HA TYR A 10 14.966 0.591 -10.396 1.00 0.38 H new ATOM 0 HB2 TYR A 10 13.204 -0.444 -12.661 1.00 0.42 H new ATOM 0 HB3 TYR A 10 13.952 -1.385 -11.385 1.00 0.42 H new ATOM 0 HD1 TYR A 10 13.184 -1.107 -9.001 1.00 1.23 H new ATOM 0 HD2 TYR A 10 11.154 0.779 -12.285 1.00 1.39 H new ATOM 0 HE1 TYR A 10 11.200 -0.732 -7.560 1.00 1.30 H new ATOM 0 HE2 TYR A 10 9.172 1.155 -10.843 1.00 1.52 H new ATOM 0 HH TYR A 10 9.112 0.046 -7.424 1.00 1.12 H new ATOM 167 N THR A 11 16.763 0.102 -12.101 1.00 0.33 N ATOM 168 CA THR A 11 17.865 -0.009 -13.097 1.00 0.32 C ATOM 169 C THR A 11 17.560 -1.156 -14.063 1.00 0.31 C ATOM 170 O THR A 11 16.515 -1.773 -13.996 1.00 0.29 O ATOM 171 CB THR A 11 19.183 -0.292 -12.371 1.00 0.36 C ATOM 172 OG1 THR A 11 18.994 -1.356 -11.449 1.00 0.38 O ATOM 173 CG2 THR A 11 19.634 0.962 -11.621 1.00 0.39 C ATOM 0 H THR A 11 16.984 -0.246 -11.168 1.00 0.33 H new ATOM 0 HA THR A 11 17.950 0.925 -13.653 1.00 0.32 H new ATOM 0 HB THR A 11 19.946 -0.571 -13.097 1.00 0.36 H new ATOM 0 HG1 THR A 11 19.837 -1.540 -10.984 1.00 0.38 H new ATOM 0 HG21 THR A 11 20.572 0.759 -11.105 1.00 0.39 H new ATOM 0 HG22 THR A 11 19.779 1.778 -12.330 1.00 0.39 H new ATOM 0 HG23 THR A 11 18.873 1.244 -10.893 1.00 0.39 H new ATOM 181 N GLU A 12 18.463 -1.453 -14.957 1.00 0.33 N ATOM 182 CA GLU A 12 18.217 -2.566 -15.916 1.00 0.33 C ATOM 183 C GLU A 12 18.185 -3.882 -15.142 1.00 0.31 C ATOM 184 O GLU A 12 17.622 -4.865 -15.581 1.00 0.29 O ATOM 185 CB GLU A 12 19.335 -2.609 -16.953 1.00 0.38 C ATOM 186 CG GLU A 12 20.658 -2.402 -16.236 1.00 0.57 C ATOM 187 CD GLU A 12 21.567 -3.609 -16.470 1.00 0.79 C ATOM 188 OE1 GLU A 12 21.256 -4.669 -15.952 1.00 1.52 O ATOM 189 OE2 GLU A 12 22.559 -3.454 -17.163 1.00 1.34 O ATOM 0 H GLU A 12 19.357 -0.975 -15.064 1.00 0.33 H new ATOM 0 HA GLU A 12 17.266 -2.411 -16.426 1.00 0.33 H new ATOM 0 HB2 GLU A 12 19.332 -3.566 -17.475 1.00 0.38 H new ATOM 0 HB3 GLU A 12 19.185 -1.834 -17.705 1.00 0.38 H new ATOM 0 HG2 GLU A 12 21.141 -1.495 -16.599 1.00 0.57 H new ATOM 0 HG3 GLU A 12 20.486 -2.266 -15.168 1.00 0.57 H new ATOM 196 N ALA A 13 18.782 -3.897 -13.984 1.00 0.32 N ATOM 197 CA ALA A 13 18.792 -5.133 -13.159 1.00 0.31 C ATOM 198 C ALA A 13 17.620 -5.082 -12.181 1.00 0.29 C ATOM 199 O ALA A 13 16.805 -5.982 -12.125 1.00 0.31 O ATOM 200 CB ALA A 13 20.107 -5.209 -12.383 1.00 0.35 C ATOM 0 H ALA A 13 19.267 -3.100 -13.572 1.00 0.32 H new ATOM 0 HA ALA A 13 18.699 -6.011 -13.798 1.00 0.31 H new ATOM 0 HB1 ALA A 13 20.119 -6.114 -11.776 1.00 0.35 H new ATOM 0 HB2 ALA A 13 20.942 -5.230 -13.083 1.00 0.35 H new ATOM 0 HB3 ALA A 13 20.198 -4.337 -11.736 1.00 0.35 H new ATOM 206 N GLU A 14 17.516 -4.025 -11.421 1.00 0.30 N ATOM 207 CA GLU A 14 16.399 -3.900 -10.469 1.00 0.30 C ATOM 208 C GLU A 14 15.086 -4.065 -11.231 1.00 0.26 C ATOM 209 O GLU A 14 14.144 -4.662 -10.750 1.00 0.27 O ATOM 210 CB GLU A 14 16.473 -2.515 -9.844 1.00 0.34 C ATOM 211 CG GLU A 14 16.820 -2.645 -8.364 1.00 0.36 C ATOM 212 CD GLU A 14 15.722 -1.997 -7.519 1.00 0.38 C ATOM 213 OE1 GLU A 14 15.504 -0.807 -7.677 1.00 1.16 O ATOM 214 OE2 GLU A 14 15.118 -2.703 -6.728 1.00 1.13 O ATOM 0 H GLU A 14 18.168 -3.241 -11.426 1.00 0.30 H new ATOM 0 HA GLU A 14 16.455 -4.661 -9.690 1.00 0.30 H new ATOM 0 HB2 GLU A 14 17.226 -1.914 -10.354 1.00 0.34 H new ATOM 0 HB3 GLU A 14 15.520 -1.999 -9.961 1.00 0.34 H new ATOM 0 HG2 GLU A 14 16.926 -3.696 -8.096 1.00 0.36 H new ATOM 0 HG3 GLU A 14 17.778 -2.167 -8.162 1.00 0.36 H new ATOM 221 N PHE A 15 15.027 -3.552 -12.431 1.00 0.24 N ATOM 222 CA PHE A 15 13.786 -3.694 -13.239 1.00 0.23 C ATOM 223 C PHE A 15 13.691 -5.137 -13.727 1.00 0.20 C ATOM 224 O PHE A 15 12.632 -5.732 -13.745 1.00 0.20 O ATOM 225 CB PHE A 15 13.843 -2.749 -14.439 1.00 0.25 C ATOM 226 CG PHE A 15 12.455 -2.574 -15.008 1.00 0.26 C ATOM 227 CD1 PHE A 15 11.415 -2.119 -14.188 1.00 1.11 C ATOM 228 CD2 PHE A 15 12.208 -2.866 -16.354 1.00 1.24 C ATOM 229 CE1 PHE A 15 10.128 -1.957 -14.715 1.00 1.08 C ATOM 230 CE2 PHE A 15 10.921 -2.704 -16.881 1.00 1.30 C ATOM 231 CZ PHE A 15 9.881 -2.250 -16.061 1.00 0.39 C ATOM 0 H PHE A 15 15.785 -3.042 -12.884 1.00 0.24 H new ATOM 0 HA PHE A 15 12.914 -3.444 -12.634 1.00 0.23 H new ATOM 0 HB2 PHE A 15 14.248 -1.783 -14.136 1.00 0.25 H new ATOM 0 HB3 PHE A 15 14.512 -3.151 -15.200 1.00 0.25 H new ATOM 0 HD1 PHE A 15 11.606 -1.893 -13.149 1.00 1.11 H new ATOM 0 HD2 PHE A 15 13.010 -3.216 -16.986 1.00 1.24 H new ATOM 0 HE1 PHE A 15 9.326 -1.606 -14.083 1.00 1.08 H new ATOM 0 HE2 PHE A 15 10.731 -2.929 -17.920 1.00 1.30 H new ATOM 0 HZ PHE A 15 8.888 -2.126 -16.467 1.00 0.39 H new ATOM 241 N LEU A 16 14.800 -5.709 -14.110 1.00 0.20 N ATOM 242 CA LEU A 16 14.789 -7.117 -14.581 1.00 0.19 C ATOM 243 C LEU A 16 14.227 -8.001 -13.469 1.00 0.19 C ATOM 244 O LEU A 16 13.595 -9.008 -13.719 1.00 0.21 O ATOM 245 CB LEU A 16 16.221 -7.545 -14.906 1.00 0.21 C ATOM 246 CG LEU A 16 16.207 -8.614 -15.993 1.00 0.27 C ATOM 247 CD1 LEU A 16 17.405 -8.408 -16.922 1.00 0.40 C ATOM 248 CD2 LEU A 16 16.291 -10.001 -15.351 1.00 0.36 C ATOM 0 H LEU A 16 15.715 -5.258 -14.116 1.00 0.20 H new ATOM 0 HA LEU A 16 14.171 -7.213 -15.474 1.00 0.19 H new ATOM 0 HB2 LEU A 16 16.801 -6.684 -15.238 1.00 0.21 H new ATOM 0 HB3 LEU A 16 16.707 -7.931 -14.010 1.00 0.21 H new ATOM 0 HG LEU A 16 15.283 -8.537 -16.566 1.00 0.27 H new ATOM 0 HD11 LEU A 16 17.397 -9.171 -17.700 1.00 0.40 H new ATOM 0 HD12 LEU A 16 17.344 -7.421 -17.381 1.00 0.40 H new ATOM 0 HD13 LEU A 16 18.328 -8.485 -16.348 1.00 0.40 H new ATOM 0 HD21 LEU A 16 16.281 -10.764 -16.130 1.00 0.36 H new ATOM 0 HD22 LEU A 16 17.214 -10.081 -14.777 1.00 0.36 H new ATOM 0 HD23 LEU A 16 15.438 -10.148 -14.689 1.00 0.36 H new ATOM 260 N GLN A 17 14.446 -7.623 -12.238 1.00 0.18 N ATOM 261 CA GLN A 17 13.918 -8.430 -11.105 1.00 0.19 C ATOM 262 C GLN A 17 12.392 -8.344 -11.105 1.00 0.20 C ATOM 263 O GLN A 17 11.706 -9.336 -10.977 1.00 0.22 O ATOM 264 CB GLN A 17 14.462 -7.880 -9.785 1.00 0.21 C ATOM 265 CG GLN A 17 15.001 -9.033 -8.936 1.00 0.70 C ATOM 266 CD GLN A 17 15.625 -8.476 -7.655 1.00 1.40 C ATOM 267 OE1 GLN A 17 15.647 -7.280 -7.446 1.00 2.29 O ATOM 268 NE2 GLN A 17 16.138 -9.300 -6.782 1.00 2.01 N ATOM 0 H GLN A 17 14.969 -6.789 -11.970 1.00 0.18 H new ATOM 0 HA GLN A 17 14.230 -9.469 -11.215 1.00 0.19 H new ATOM 0 HB2 GLN A 17 15.253 -7.156 -9.979 1.00 0.21 H new ATOM 0 HB3 GLN A 17 13.674 -7.354 -9.245 1.00 0.21 H new ATOM 0 HG2 GLN A 17 14.195 -9.725 -8.690 1.00 0.70 H new ATOM 0 HG3 GLN A 17 15.744 -9.597 -9.500 1.00 0.70 H new ATOM 0 HE21 GLN A 17 16.120 -10.305 -6.957 1.00 2.01 H new ATOM 0 HE22 GLN A 17 16.557 -8.939 -5.925 1.00 2.01 H new ATOM 277 N LEU A 18 11.855 -7.163 -11.260 1.00 0.19 N ATOM 278 CA LEU A 18 10.372 -7.018 -11.282 1.00 0.20 C ATOM 279 C LEU A 18 9.798 -7.995 -12.305 1.00 0.21 C ATOM 280 O LEU A 18 8.916 -8.776 -12.007 1.00 0.25 O ATOM 281 CB LEU A 18 10.007 -5.583 -11.676 1.00 0.21 C ATOM 282 CG LEU A 18 8.487 -5.402 -11.636 1.00 0.25 C ATOM 283 CD1 LEU A 18 8.131 -4.280 -10.656 1.00 0.30 C ATOM 284 CD2 LEU A 18 7.982 -5.034 -13.034 1.00 0.28 C ATOM 0 H LEU A 18 12.379 -6.295 -11.372 1.00 0.19 H new ATOM 0 HA LEU A 18 9.960 -7.233 -10.296 1.00 0.20 H new ATOM 0 HB2 LEU A 18 10.484 -4.877 -10.996 1.00 0.21 H new ATOM 0 HB3 LEU A 18 10.382 -5.365 -12.676 1.00 0.21 H new ATOM 0 HG LEU A 18 8.019 -6.331 -11.311 1.00 0.25 H new ATOM 0 HD11 LEU A 18 7.049 -4.151 -10.628 1.00 0.30 H new ATOM 0 HD12 LEU A 18 8.492 -4.538 -9.660 1.00 0.30 H new ATOM 0 HD13 LEU A 18 8.598 -3.351 -10.981 1.00 0.30 H new ATOM 0 HD21 LEU A 18 6.900 -4.905 -13.008 1.00 0.28 H new ATOM 0 HD22 LEU A 18 8.451 -4.105 -13.357 1.00 0.28 H new ATOM 0 HD23 LEU A 18 8.235 -5.830 -13.734 1.00 0.28 H new ATOM 296 N VAL A 19 10.303 -7.967 -13.507 1.00 0.20 N ATOM 297 CA VAL A 19 9.799 -8.903 -14.547 1.00 0.22 C ATOM 298 C VAL A 19 10.131 -10.335 -14.128 1.00 0.24 C ATOM 299 O VAL A 19 9.455 -11.276 -14.495 1.00 0.27 O ATOM 300 CB VAL A 19 10.473 -8.591 -15.880 1.00 0.23 C ATOM 301 CG1 VAL A 19 10.746 -9.893 -16.634 1.00 0.28 C ATOM 302 CG2 VAL A 19 9.554 -7.700 -16.719 1.00 0.31 C ATOM 0 H VAL A 19 11.043 -7.336 -13.813 1.00 0.20 H new ATOM 0 HA VAL A 19 8.720 -8.792 -14.655 1.00 0.22 H new ATOM 0 HB VAL A 19 11.415 -8.074 -15.697 1.00 0.23 H new ATOM 0 HG11 VAL A 19 11.227 -9.668 -17.586 1.00 0.28 H new ATOM 0 HG12 VAL A 19 11.401 -10.529 -16.037 1.00 0.28 H new ATOM 0 HG13 VAL A 19 9.805 -10.412 -16.817 1.00 0.28 H new ATOM 0 HG21 VAL A 19 10.034 -7.476 -17.672 1.00 0.31 H new ATOM 0 HG22 VAL A 19 8.612 -8.217 -16.900 1.00 0.31 H new ATOM 0 HG23 VAL A 19 9.360 -6.771 -16.183 1.00 0.31 H new ATOM 312 N THR A 20 11.170 -10.503 -13.356 1.00 0.23 N ATOM 313 CA THR A 20 11.555 -11.870 -12.904 1.00 0.26 C ATOM 314 C THR A 20 10.554 -12.362 -11.857 1.00 0.26 C ATOM 315 O THR A 20 10.184 -13.519 -11.837 1.00 0.29 O ATOM 316 CB THR A 20 12.955 -11.829 -12.288 1.00 0.27 C ATOM 317 OG1 THR A 20 13.889 -11.397 -13.268 1.00 0.33 O ATOM 318 CG2 THR A 20 13.338 -13.225 -11.793 1.00 0.28 C ATOM 0 H THR A 20 11.770 -9.751 -13.018 1.00 0.23 H new ATOM 0 HA THR A 20 11.552 -12.548 -13.758 1.00 0.26 H new ATOM 0 HB THR A 20 12.963 -11.135 -11.448 1.00 0.27 H new ATOM 0 HG1 THR A 20 14.123 -10.459 -13.106 1.00 0.33 H new ATOM 0 HG21 THR A 20 14.335 -13.195 -11.354 1.00 0.28 H new ATOM 0 HG22 THR A 20 12.621 -13.554 -11.041 1.00 0.28 H new ATOM 0 HG23 THR A 20 13.331 -13.923 -12.630 1.00 0.28 H new ATOM 326 N THR A 21 10.106 -11.495 -10.989 1.00 0.25 N ATOM 327 CA THR A 21 9.127 -11.924 -9.953 1.00 0.26 C ATOM 328 C THR A 21 7.772 -12.157 -10.618 1.00 0.25 C ATOM 329 O THR A 21 6.908 -12.821 -10.082 1.00 0.27 O ATOM 330 CB THR A 21 8.994 -10.832 -8.889 1.00 0.26 C ATOM 331 OG1 THR A 21 10.271 -10.566 -8.325 1.00 0.31 O ATOM 332 CG2 THR A 21 8.037 -11.302 -7.793 1.00 0.32 C ATOM 0 H THR A 21 10.375 -10.512 -10.954 1.00 0.25 H new ATOM 0 HA THR A 21 9.470 -12.844 -9.480 1.00 0.26 H new ATOM 0 HB THR A 21 8.602 -9.923 -9.345 1.00 0.26 H new ATOM 0 HG1 THR A 21 10.836 -10.121 -8.990 1.00 0.31 H new ATOM 0 HG21 THR A 21 7.942 -10.525 -7.035 1.00 0.32 H new ATOM 0 HG22 THR A 21 7.059 -11.507 -8.228 1.00 0.32 H new ATOM 0 HG23 THR A 21 8.427 -12.210 -7.334 1.00 0.32 H new ATOM 340 N ILE A 22 7.586 -11.615 -11.789 1.00 0.23 N ATOM 341 CA ILE A 22 6.294 -11.800 -12.504 1.00 0.23 C ATOM 342 C ILE A 22 6.361 -13.077 -13.344 1.00 0.26 C ATOM 343 O ILE A 22 5.502 -13.932 -13.262 1.00 0.33 O ATOM 344 CB ILE A 22 6.048 -10.598 -13.417 1.00 0.21 C ATOM 345 CG1 ILE A 22 6.545 -9.327 -12.724 1.00 0.20 C ATOM 346 CG2 ILE A 22 4.552 -10.469 -13.702 1.00 0.20 C ATOM 347 CD1 ILE A 22 5.838 -8.111 -13.322 1.00 0.21 C ATOM 0 H ILE A 22 8.276 -11.050 -12.283 1.00 0.23 H new ATOM 0 HA ILE A 22 5.481 -11.882 -11.783 1.00 0.23 H new ATOM 0 HB ILE A 22 6.584 -10.738 -14.356 1.00 0.21 H new ATOM 0 HG12 ILE A 22 6.350 -9.384 -11.653 1.00 0.20 H new ATOM 0 HG13 ILE A 22 7.624 -9.231 -12.847 1.00 0.20 H new ATOM 0 HG21 ILE A 22 4.378 -9.612 -14.353 1.00 0.20 H new ATOM 0 HG22 ILE A 22 4.196 -11.375 -14.192 1.00 0.20 H new ATOM 0 HG23 ILE A 22 4.014 -10.328 -12.765 1.00 0.20 H new ATOM 0 HD11 ILE A 22 6.192 -7.206 -12.829 1.00 0.21 H new ATOM 0 HD12 ILE A 22 6.055 -8.052 -14.388 1.00 0.21 H new ATOM 0 HD13 ILE A 22 4.762 -8.207 -13.176 1.00 0.21 H new ATOM 359 N CYS A 23 7.379 -13.212 -14.148 1.00 0.27 N ATOM 360 CA CYS A 23 7.507 -14.433 -14.993 1.00 0.32 C ATOM 361 C CYS A 23 8.044 -15.589 -14.146 1.00 0.38 C ATOM 362 O CYS A 23 7.998 -16.736 -14.545 1.00 0.71 O ATOM 363 CB CYS A 23 8.477 -14.155 -16.144 1.00 0.32 C ATOM 364 SG CYS A 23 7.615 -14.349 -17.723 1.00 0.48 S ATOM 0 H CYS A 23 8.129 -12.529 -14.257 1.00 0.27 H new ATOM 0 HA CYS A 23 6.529 -14.700 -15.394 1.00 0.32 H new ATOM 0 HB2 CYS A 23 8.879 -13.145 -16.059 1.00 0.32 H new ATOM 0 HB3 CYS A 23 9.323 -14.840 -16.093 1.00 0.32 H new ATOM 0 HG CYS A 23 8.485 -14.425 -18.686 1.00 0.48 H new ATOM 370 N ASN A 24 8.558 -15.298 -12.982 1.00 0.33 N ATOM 371 CA ASN A 24 9.103 -16.381 -12.114 1.00 0.36 C ATOM 372 C ASN A 24 8.002 -16.909 -11.191 1.00 0.37 C ATOM 373 O ASN A 24 8.166 -17.914 -10.527 1.00 0.46 O ATOM 374 CB ASN A 24 10.254 -15.827 -11.271 1.00 0.38 C ATOM 375 CG ASN A 24 11.574 -16.020 -12.020 1.00 0.73 C ATOM 376 OD1 ASN A 24 12.515 -16.570 -11.484 1.00 1.22 O ATOM 377 ND2 ASN A 24 11.683 -15.587 -13.246 1.00 0.95 N ATOM 0 H ASN A 24 8.624 -14.357 -12.594 1.00 0.33 H new ATOM 0 HA ASN A 24 9.468 -17.195 -12.740 1.00 0.36 H new ATOM 0 HB2 ASN A 24 10.092 -14.769 -11.065 1.00 0.38 H new ATOM 0 HB3 ASN A 24 10.292 -16.337 -10.308 1.00 0.38 H new ATOM 0 HD21 ASN A 24 12.559 -15.710 -13.754 1.00 0.95 H new ATOM 0 HD22 ASN A 24 10.893 -15.125 -13.696 1.00 0.95 H new ATOM 384 N ALA A 25 6.881 -16.243 -11.142 1.00 0.32 N ATOM 385 CA ALA A 25 5.775 -16.711 -10.260 1.00 0.36 C ATOM 386 C ALA A 25 6.265 -16.767 -8.811 1.00 0.34 C ATOM 387 O ALA A 25 6.075 -17.748 -8.119 1.00 0.42 O ATOM 388 CB ALA A 25 5.329 -18.107 -10.701 1.00 0.45 C ATOM 0 H ALA A 25 6.683 -15.396 -11.674 1.00 0.32 H new ATOM 0 HA ALA A 25 4.935 -16.020 -10.333 1.00 0.36 H new ATOM 0 HB1 ALA A 25 4.520 -18.451 -10.057 1.00 0.45 H new ATOM 0 HB2 ALA A 25 4.980 -18.068 -11.733 1.00 0.45 H new ATOM 0 HB3 ALA A 25 6.169 -18.797 -10.628 1.00 0.45 H new ATOM 394 N ASP A 26 6.900 -15.725 -8.349 1.00 0.32 N ATOM 395 CA ASP A 26 7.409 -15.716 -6.952 1.00 0.35 C ATOM 396 C ASP A 26 6.507 -14.842 -6.092 1.00 0.37 C ATOM 397 O ASP A 26 6.797 -14.554 -4.947 1.00 0.42 O ATOM 398 CB ASP A 26 8.817 -15.142 -6.954 1.00 0.41 C ATOM 399 CG ASP A 26 9.688 -15.895 -5.947 1.00 0.51 C ATOM 400 OD1 ASP A 26 9.206 -16.161 -4.858 1.00 1.14 O ATOM 401 OD2 ASP A 26 10.822 -16.195 -6.283 1.00 1.25 O ATOM 0 H ASP A 26 7.088 -14.877 -8.883 1.00 0.32 H new ATOM 0 HA ASP A 26 7.419 -16.729 -6.549 1.00 0.35 H new ATOM 0 HB2 ASP A 26 9.249 -15.220 -7.952 1.00 0.41 H new ATOM 0 HB3 ASP A 26 8.787 -14.082 -6.701 1.00 0.41 H new ATOM 406 N THR A 27 5.419 -14.419 -6.647 1.00 0.40 N ATOM 407 CA THR A 27 4.474 -13.558 -5.893 1.00 0.51 C ATOM 408 C THR A 27 3.531 -14.431 -5.076 1.00 0.71 C ATOM 409 O THR A 27 3.786 -15.594 -4.836 1.00 1.05 O ATOM 410 CB THR A 27 3.661 -12.711 -6.874 1.00 0.40 C ATOM 411 OG1 THR A 27 2.823 -13.560 -7.646 1.00 0.41 O ATOM 412 CG2 THR A 27 4.608 -11.947 -7.799 1.00 0.38 C ATOM 0 H THR A 27 5.136 -14.633 -7.603 1.00 0.40 H new ATOM 0 HA THR A 27 5.034 -12.904 -5.225 1.00 0.51 H new ATOM 0 HB THR A 27 3.048 -12.000 -6.320 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.903 -13.224 -7.618 1.00 0.41 H new ATOM 0 HG21 THR A 27 4.027 -11.344 -8.497 1.00 0.38 H new ATOM 0 HG22 THR A 27 5.250 -11.297 -7.205 1.00 0.38 H new ATOM 0 HG23 THR A 27 5.223 -12.655 -8.355 1.00 0.38 H new ATOM 420 N SER A 28 2.438 -13.874 -4.656 1.00 0.80 N ATOM 421 CA SER A 28 1.459 -14.659 -3.859 1.00 0.96 C ATOM 422 C SER A 28 0.556 -15.425 -4.821 1.00 0.70 C ATOM 423 O SER A 28 -0.421 -16.030 -4.427 1.00 0.73 O ATOM 424 CB SER A 28 0.615 -13.713 -3.004 1.00 1.40 C ATOM 425 OG SER A 28 1.226 -13.560 -1.730 1.00 2.18 O ATOM 0 H SER A 28 2.176 -12.904 -4.830 1.00 0.80 H new ATOM 0 HA SER A 28 1.983 -15.355 -3.203 1.00 0.96 H new ATOM 0 HB2 SER A 28 0.524 -12.744 -3.495 1.00 1.40 H new ATOM 0 HB3 SER A 28 -0.394 -14.109 -2.891 1.00 1.40 H new ATOM 0 HG SER A 28 0.688 -12.953 -1.180 1.00 2.18 H new ATOM 431 N SER A 29 0.882 -15.401 -6.084 1.00 0.67 N ATOM 432 CA SER A 29 0.045 -16.128 -7.082 1.00 0.91 C ATOM 433 C SER A 29 0.013 -15.348 -8.398 1.00 0.79 C ATOM 434 O SER A 29 0.635 -14.315 -8.537 1.00 0.69 O ATOM 435 CB SER A 29 -1.378 -16.274 -6.543 1.00 1.16 C ATOM 436 OG SER A 29 -1.485 -17.495 -5.824 1.00 1.87 O ATOM 0 H SER A 29 1.690 -14.911 -6.468 1.00 0.67 H new ATOM 0 HA SER A 29 0.473 -17.115 -7.259 1.00 0.91 H new ATOM 0 HB2 SER A 29 -1.621 -15.433 -5.893 1.00 1.16 H new ATOM 0 HB3 SER A 29 -2.094 -16.259 -7.365 1.00 1.16 H new ATOM 0 HG SER A 29 -0.850 -17.492 -5.078 1.00 1.87 H new ATOM 442 N GLU A 30 -0.710 -15.843 -9.365 1.00 0.85 N ATOM 443 CA GLU A 30 -0.790 -15.142 -10.678 1.00 0.80 C ATOM 444 C GLU A 30 -1.301 -13.713 -10.475 1.00 0.64 C ATOM 445 O GLU A 30 -0.846 -12.786 -11.116 1.00 0.56 O ATOM 446 CB GLU A 30 -1.750 -15.897 -11.600 1.00 1.00 C ATOM 447 CG GLU A 30 -0.950 -16.747 -12.589 1.00 1.82 C ATOM 448 CD GLU A 30 -1.912 -17.545 -13.470 1.00 2.34 C ATOM 449 OE1 GLU A 30 -3.088 -17.221 -13.474 1.00 2.94 O ATOM 450 OE2 GLU A 30 -1.457 -18.467 -14.127 1.00 2.74 O ATOM 0 H GLU A 30 -1.251 -16.706 -9.302 1.00 0.85 H new ATOM 0 HA GLU A 30 0.202 -15.109 -11.127 1.00 0.80 H new ATOM 0 HB2 GLU A 30 -2.412 -16.532 -11.011 1.00 1.00 H new ATOM 0 HB3 GLU A 30 -2.382 -15.192 -12.139 1.00 1.00 H new ATOM 0 HG2 GLU A 30 -0.319 -16.108 -13.207 1.00 1.82 H new ATOM 0 HG3 GLU A 30 -0.287 -17.424 -12.050 1.00 1.82 H new ATOM 457 N GLU A 31 -2.244 -13.524 -9.592 1.00 0.66 N ATOM 458 CA GLU A 31 -2.779 -12.153 -9.359 1.00 0.61 C ATOM 459 C GLU A 31 -1.616 -11.191 -9.120 1.00 0.49 C ATOM 460 O GLU A 31 -1.370 -10.293 -9.901 1.00 0.57 O ATOM 461 CB GLU A 31 -3.696 -12.162 -8.134 1.00 0.75 C ATOM 462 CG GLU A 31 -3.941 -10.726 -7.667 1.00 0.79 C ATOM 463 CD GLU A 31 -5.390 -10.580 -7.199 1.00 1.42 C ATOM 464 OE1 GLU A 31 -6.241 -11.261 -7.747 1.00 2.05 O ATOM 465 OE2 GLU A 31 -5.625 -9.788 -6.301 1.00 2.16 O ATOM 0 H GLU A 31 -2.666 -14.258 -9.023 1.00 0.66 H new ATOM 0 HA GLU A 31 -3.347 -11.830 -10.232 1.00 0.61 H new ATOM 0 HB2 GLU A 31 -4.643 -12.642 -8.380 1.00 0.75 H new ATOM 0 HB3 GLU A 31 -3.242 -12.744 -7.332 1.00 0.75 H new ATOM 0 HG2 GLU A 31 -3.259 -10.475 -6.855 1.00 0.79 H new ATOM 0 HG3 GLU A 31 -3.739 -10.029 -8.480 1.00 0.79 H new ATOM 472 N GLU A 32 -0.895 -11.374 -8.050 1.00 0.37 N ATOM 473 CA GLU A 32 0.255 -10.471 -7.773 1.00 0.34 C ATOM 474 C GLU A 32 1.181 -10.464 -8.989 1.00 0.28 C ATOM 475 O GLU A 32 1.952 -9.547 -9.193 1.00 0.33 O ATOM 476 CB GLU A 32 1.022 -10.973 -6.547 1.00 0.40 C ATOM 477 CG GLU A 32 0.979 -9.910 -5.448 1.00 0.76 C ATOM 478 CD GLU A 32 1.480 -10.512 -4.135 1.00 1.29 C ATOM 479 OE1 GLU A 32 2.635 -10.903 -4.088 1.00 1.80 O ATOM 480 OE2 GLU A 32 0.701 -10.571 -3.198 1.00 2.08 O ATOM 0 H GLU A 32 -1.051 -12.107 -7.358 1.00 0.37 H new ATOM 0 HA GLU A 32 -0.107 -9.462 -7.577 1.00 0.34 H new ATOM 0 HB2 GLU A 32 0.583 -11.903 -6.186 1.00 0.40 H new ATOM 0 HB3 GLU A 32 2.055 -11.192 -6.816 1.00 0.40 H new ATOM 0 HG2 GLU A 32 1.597 -9.057 -5.728 1.00 0.76 H new ATOM 0 HG3 GLU A 32 -0.039 -9.540 -5.325 1.00 0.76 H new ATOM 487 N LEU A 33 1.106 -11.483 -9.803 1.00 0.26 N ATOM 488 CA LEU A 33 1.973 -11.541 -11.007 1.00 0.26 C ATOM 489 C LEU A 33 1.455 -10.551 -12.046 1.00 0.25 C ATOM 490 O LEU A 33 2.172 -10.126 -12.930 1.00 0.31 O ATOM 491 CB LEU A 33 1.940 -12.958 -11.577 1.00 0.33 C ATOM 492 CG LEU A 33 3.367 -13.457 -11.787 1.00 0.43 C ATOM 493 CD1 LEU A 33 3.738 -14.405 -10.650 1.00 1.30 C ATOM 494 CD2 LEU A 33 3.459 -14.201 -13.121 1.00 1.06 C ATOM 0 H LEU A 33 0.479 -12.278 -9.682 1.00 0.26 H new ATOM 0 HA LEU A 33 2.998 -11.281 -10.743 1.00 0.26 H new ATOM 0 HB2 LEU A 33 1.408 -13.623 -10.896 1.00 0.33 H new ATOM 0 HB3 LEU A 33 1.397 -12.968 -12.522 1.00 0.33 H new ATOM 0 HG LEU A 33 4.053 -12.610 -11.799 1.00 0.43 H new ATOM 0 HD11 LEU A 33 4.757 -14.765 -10.794 1.00 1.30 H new ATOM 0 HD12 LEU A 33 3.671 -13.876 -9.699 1.00 1.30 H new ATOM 0 HD13 LEU A 33 3.051 -15.252 -10.643 1.00 1.30 H new ATOM 0 HD21 LEU A 33 4.479 -14.557 -13.270 1.00 1.06 H new ATOM 0 HD22 LEU A 33 2.776 -15.050 -13.112 1.00 1.06 H new ATOM 0 HD23 LEU A 33 3.188 -13.526 -13.933 1.00 1.06 H new ATOM 506 N VAL A 34 0.215 -10.171 -11.936 1.00 0.24 N ATOM 507 CA VAL A 34 -0.355 -9.196 -12.904 1.00 0.24 C ATOM 508 C VAL A 34 0.065 -7.790 -12.486 1.00 0.24 C ATOM 509 O VAL A 34 0.708 -7.076 -13.229 1.00 0.25 O ATOM 510 CB VAL A 34 -1.879 -9.299 -12.893 1.00 0.28 C ATOM 511 CG1 VAL A 34 -2.462 -8.093 -12.159 1.00 0.29 C ATOM 512 CG2 VAL A 34 -2.400 -9.322 -14.332 1.00 0.30 C ATOM 0 H VAL A 34 -0.430 -10.494 -11.215 1.00 0.24 H new ATOM 0 HA VAL A 34 0.011 -9.410 -13.908 1.00 0.24 H new ATOM 0 HB VAL A 34 -2.179 -10.215 -12.385 1.00 0.28 H new ATOM 0 HG11 VAL A 34 -3.550 -8.164 -12.150 1.00 0.29 H new ATOM 0 HG12 VAL A 34 -2.091 -8.076 -11.134 1.00 0.29 H new ATOM 0 HG13 VAL A 34 -2.162 -7.177 -12.669 1.00 0.29 H new ATOM 0 HG21 VAL A 34 -3.487 -9.396 -14.324 1.00 0.30 H new ATOM 0 HG22 VAL A 34 -2.102 -8.406 -14.842 1.00 0.30 H new ATOM 0 HG23 VAL A 34 -1.982 -10.181 -14.857 1.00 0.30 H new ATOM 522 N LYS A 35 -0.281 -7.389 -11.294 1.00 0.25 N ATOM 523 CA LYS A 35 0.117 -6.033 -10.830 1.00 0.26 C ATOM 524 C LYS A 35 1.610 -5.847 -11.092 1.00 0.25 C ATOM 525 O LYS A 35 2.091 -4.744 -11.266 1.00 0.27 O ATOM 526 CB LYS A 35 -0.164 -5.897 -9.331 1.00 0.30 C ATOM 527 CG LYS A 35 -1.647 -5.591 -9.114 1.00 0.78 C ATOM 528 CD LYS A 35 -1.864 -5.114 -7.676 1.00 1.38 C ATOM 529 CE LYS A 35 -2.347 -3.662 -7.687 1.00 1.97 C ATOM 530 NZ LYS A 35 -3.782 -3.613 -7.289 1.00 2.70 N ATOM 0 H LYS A 35 -0.819 -7.939 -10.625 1.00 0.25 H new ATOM 0 HA LYS A 35 -0.453 -5.274 -11.366 1.00 0.26 H new ATOM 0 HB2 LYS A 35 0.107 -6.818 -8.815 1.00 0.30 H new ATOM 0 HB3 LYS A 35 0.448 -5.101 -8.906 1.00 0.30 H new ATOM 0 HG2 LYS A 35 -1.978 -4.826 -9.816 1.00 0.78 H new ATOM 0 HG3 LYS A 35 -2.245 -6.481 -9.307 1.00 0.78 H new ATOM 0 HD2 LYS A 35 -2.597 -5.748 -7.178 1.00 1.38 H new ATOM 0 HD3 LYS A 35 -0.936 -5.195 -7.111 1.00 1.38 H new ATOM 0 HE2 LYS A 35 -1.748 -3.063 -7.001 1.00 1.97 H new ATOM 0 HE3 LYS A 35 -2.219 -3.233 -8.681 1.00 1.97 H new ATOM 0 HZ1 LYS A 35 -4.111 -2.626 -7.296 1.00 2.70 H new ATOM 0 HZ2 LYS A 35 -4.348 -4.171 -7.960 1.00 2.70 H new ATOM 0 HZ3 LYS A 35 -3.891 -4.007 -6.333 1.00 2.70 H new ATOM 544 N LEU A 36 2.347 -6.925 -11.132 1.00 0.23 N ATOM 545 CA LEU A 36 3.805 -6.824 -11.395 1.00 0.24 C ATOM 546 C LEU A 36 4.016 -6.555 -12.884 1.00 0.21 C ATOM 547 O LEU A 36 4.847 -5.758 -13.271 1.00 0.22 O ATOM 548 CB LEU A 36 4.474 -8.145 -11.014 1.00 0.27 C ATOM 549 CG LEU A 36 5.774 -7.864 -10.259 1.00 0.44 C ATOM 550 CD1 LEU A 36 5.824 -6.389 -9.856 1.00 1.04 C ATOM 551 CD2 LEU A 36 5.831 -8.736 -9.003 1.00 1.43 C ATOM 0 H LEU A 36 1.997 -7.873 -10.993 1.00 0.23 H new ATOM 0 HA LEU A 36 4.240 -6.015 -10.808 1.00 0.24 H new ATOM 0 HB2 LEU A 36 3.802 -8.738 -10.393 1.00 0.27 H new ATOM 0 HB3 LEU A 36 4.681 -8.731 -11.910 1.00 0.27 H new ATOM 0 HG LEU A 36 6.624 -8.093 -10.902 1.00 0.44 H new ATOM 0 HD11 LEU A 36 6.751 -6.190 -9.318 1.00 1.04 H new ATOM 0 HD12 LEU A 36 5.782 -5.766 -10.749 1.00 1.04 H new ATOM 0 HD13 LEU A 36 4.975 -6.159 -9.213 1.00 1.04 H new ATOM 0 HD21 LEU A 36 6.757 -8.537 -8.464 1.00 1.43 H new ATOM 0 HD22 LEU A 36 4.981 -8.506 -8.361 1.00 1.43 H new ATOM 0 HD23 LEU A 36 5.796 -9.787 -9.288 1.00 1.43 H new ATOM 563 N VAL A 37 3.261 -7.212 -13.721 1.00 0.21 N ATOM 564 CA VAL A 37 3.406 -6.993 -15.185 1.00 0.20 C ATOM 565 C VAL A 37 2.860 -5.611 -15.540 1.00 0.19 C ATOM 566 O VAL A 37 3.505 -4.831 -16.212 1.00 0.19 O ATOM 567 CB VAL A 37 2.622 -8.063 -15.944 1.00 0.20 C ATOM 568 CG1 VAL A 37 1.238 -7.523 -16.305 1.00 0.20 C ATOM 569 CG2 VAL A 37 3.376 -8.428 -17.223 1.00 0.25 C ATOM 0 H VAL A 37 2.549 -7.892 -13.452 1.00 0.21 H new ATOM 0 HA VAL A 37 4.458 -7.055 -15.463 1.00 0.20 H new ATOM 0 HB VAL A 37 2.512 -8.948 -15.318 1.00 0.20 H new ATOM 0 HG11 VAL A 37 0.679 -8.287 -16.846 1.00 0.20 H new ATOM 0 HG12 VAL A 37 0.702 -7.259 -15.394 1.00 0.20 H new ATOM 0 HG13 VAL A 37 1.345 -6.638 -16.933 1.00 0.20 H new ATOM 0 HG21 VAL A 37 2.820 -9.191 -17.768 1.00 0.25 H new ATOM 0 HG22 VAL A 37 3.483 -7.541 -17.848 1.00 0.25 H new ATOM 0 HG23 VAL A 37 4.363 -8.812 -16.966 1.00 0.25 H new ATOM 579 N THR A 38 1.678 -5.296 -15.083 1.00 0.20 N ATOM 580 CA THR A 38 1.100 -3.959 -15.386 1.00 0.21 C ATOM 581 C THR A 38 2.120 -2.892 -14.997 1.00 0.21 C ATOM 582 O THR A 38 2.339 -1.936 -15.714 1.00 0.21 O ATOM 583 CB THR A 38 -0.187 -3.763 -14.582 1.00 0.24 C ATOM 584 OG1 THR A 38 -1.298 -3.740 -15.467 1.00 0.73 O ATOM 585 CG2 THR A 38 -0.116 -2.444 -13.814 1.00 0.81 C ATOM 0 H THR A 38 1.090 -5.906 -14.515 1.00 0.20 H new ATOM 0 HA THR A 38 0.867 -3.882 -16.448 1.00 0.21 H new ATOM 0 HB THR A 38 -0.302 -4.585 -13.875 1.00 0.24 H new ATOM 0 HG1 THR A 38 -2.123 -3.616 -14.953 1.00 0.73 H new ATOM 0 HG21 THR A 38 -1.034 -2.306 -13.242 1.00 0.81 H new ATOM 0 HG22 THR A 38 0.736 -2.464 -13.134 1.00 0.81 H new ATOM 0 HG23 THR A 38 0.000 -1.619 -14.517 1.00 0.81 H new ATOM 593 N HIS A 39 2.761 -3.057 -13.872 1.00 0.22 N ATOM 594 CA HIS A 39 3.782 -2.063 -13.449 1.00 0.23 C ATOM 595 C HIS A 39 4.850 -1.978 -14.537 1.00 0.22 C ATOM 596 O HIS A 39 5.286 -0.909 -14.916 1.00 0.23 O ATOM 597 CB HIS A 39 4.420 -2.509 -12.132 1.00 0.26 C ATOM 598 CG HIS A 39 5.174 -1.357 -11.526 1.00 0.29 C ATOM 599 ND1 HIS A 39 6.406 -1.520 -10.912 1.00 0.38 N ATOM 600 CD2 HIS A 39 4.883 -0.019 -11.432 1.00 0.40 C ATOM 601 CE1 HIS A 39 6.806 -0.311 -10.479 1.00 0.39 C ATOM 602 NE2 HIS A 39 5.915 0.640 -10.770 1.00 0.40 N ATOM 0 H HIS A 39 2.621 -3.837 -13.230 1.00 0.22 H new ATOM 0 HA HIS A 39 3.319 -1.087 -13.302 1.00 0.23 H new ATOM 0 HB2 HIS A 39 3.651 -2.857 -11.442 1.00 0.26 H new ATOM 0 HB3 HIS A 39 5.094 -3.347 -12.307 1.00 0.26 H new ATOM 0 HD2 HIS A 39 3.989 0.451 -11.814 1.00 0.40 H new ATOM 0 HE1 HIS A 39 7.735 -0.131 -9.959 1.00 0.39 H new ATOM 0 HE2 HIS A 39 5.977 1.635 -10.554 1.00 0.40 H new ATOM 610 N PHE A 40 5.263 -3.104 -15.056 1.00 0.20 N ATOM 611 CA PHE A 40 6.290 -3.096 -16.134 1.00 0.20 C ATOM 612 C PHE A 40 5.778 -2.241 -17.295 1.00 0.20 C ATOM 613 O PHE A 40 6.519 -1.508 -17.919 1.00 0.22 O ATOM 614 CB PHE A 40 6.526 -4.528 -16.622 1.00 0.20 C ATOM 615 CG PHE A 40 7.595 -4.530 -17.688 1.00 0.22 C ATOM 616 CD1 PHE A 40 7.256 -4.265 -19.020 1.00 1.24 C ATOM 617 CD2 PHE A 40 8.926 -4.799 -17.345 1.00 1.16 C ATOM 618 CE1 PHE A 40 8.247 -4.269 -20.009 1.00 1.28 C ATOM 619 CE2 PHE A 40 9.917 -4.803 -18.334 1.00 1.15 C ATOM 620 CZ PHE A 40 9.577 -4.538 -19.666 1.00 0.34 C ATOM 0 H PHE A 40 4.932 -4.028 -14.779 1.00 0.20 H new ATOM 0 HA PHE A 40 7.226 -2.686 -15.754 1.00 0.20 H new ATOM 0 HB2 PHE A 40 6.828 -5.162 -15.788 1.00 0.20 H new ATOM 0 HB3 PHE A 40 5.601 -4.945 -17.020 1.00 0.20 H new ATOM 0 HD1 PHE A 40 6.230 -4.057 -19.285 1.00 1.24 H new ATOM 0 HD2 PHE A 40 9.188 -5.003 -16.317 1.00 1.16 H new ATOM 0 HE1 PHE A 40 7.985 -4.065 -21.037 1.00 1.28 H new ATOM 0 HE2 PHE A 40 10.943 -5.010 -18.069 1.00 1.15 H new ATOM 0 HZ PHE A 40 10.341 -4.541 -20.429 1.00 0.34 H new ATOM 630 N GLU A 41 4.508 -2.332 -17.585 1.00 0.19 N ATOM 631 CA GLU A 41 3.915 -1.556 -18.674 1.00 0.20 C ATOM 632 C GLU A 41 4.067 -0.057 -18.398 1.00 0.22 C ATOM 633 O GLU A 41 4.646 0.673 -19.179 1.00 0.26 O ATOM 634 CB GLU A 41 2.450 -1.942 -18.693 1.00 0.21 C ATOM 635 CG GLU A 41 2.154 -2.738 -19.953 1.00 0.23 C ATOM 636 CD GLU A 41 1.098 -2.013 -20.789 1.00 0.26 C ATOM 637 OE1 GLU A 41 1.305 -0.849 -21.090 1.00 1.14 O ATOM 638 OE2 GLU A 41 0.099 -2.634 -21.114 1.00 1.08 O ATOM 0 H GLU A 41 3.851 -2.934 -17.089 1.00 0.19 H new ATOM 0 HA GLU A 41 4.399 -1.759 -19.629 1.00 0.20 H new ATOM 0 HB2 GLU A 41 2.207 -2.534 -17.810 1.00 0.21 H new ATOM 0 HB3 GLU A 41 1.827 -1.048 -18.659 1.00 0.21 H new ATOM 0 HG2 GLU A 41 3.066 -2.867 -20.535 1.00 0.23 H new ATOM 0 HG3 GLU A 41 1.801 -3.735 -19.690 1.00 0.23 H new ATOM 645 N GLU A 42 3.550 0.407 -17.293 1.00 0.24 N ATOM 646 CA GLU A 42 3.660 1.857 -16.965 1.00 0.27 C ATOM 647 C GLU A 42 5.127 2.223 -16.737 1.00 0.27 C ATOM 648 O GLU A 42 5.468 3.376 -16.556 1.00 0.34 O ATOM 649 CB GLU A 42 2.862 2.149 -15.693 1.00 0.29 C ATOM 650 CG GLU A 42 2.061 3.440 -15.874 1.00 0.35 C ATOM 651 CD GLU A 42 0.972 3.519 -14.803 1.00 1.31 C ATOM 652 OE1 GLU A 42 0.016 2.767 -14.900 1.00 2.19 O ATOM 653 OE2 GLU A 42 1.112 4.331 -13.902 1.00 1.99 O ATOM 0 H GLU A 42 3.055 -0.157 -16.602 1.00 0.24 H new ATOM 0 HA GLU A 42 3.264 2.447 -17.792 1.00 0.27 H new ATOM 0 HB2 GLU A 42 2.189 1.319 -15.475 1.00 0.29 H new ATOM 0 HB3 GLU A 42 3.537 2.244 -14.842 1.00 0.29 H new ATOM 0 HG2 GLU A 42 2.722 4.304 -15.800 1.00 0.35 H new ATOM 0 HG3 GLU A 42 1.612 3.466 -16.867 1.00 0.35 H new ATOM 660 N MET A 43 5.999 1.253 -16.738 1.00 0.24 N ATOM 661 CA MET A 43 7.442 1.550 -16.513 1.00 0.26 C ATOM 662 C MET A 43 8.126 1.859 -17.848 1.00 0.28 C ATOM 663 O MET A 43 8.503 2.982 -18.116 1.00 0.34 O ATOM 664 CB MET A 43 8.118 0.338 -15.867 1.00 0.27 C ATOM 665 CG MET A 43 8.662 0.730 -14.492 1.00 0.39 C ATOM 666 SD MET A 43 7.412 0.390 -13.229 1.00 0.71 S ATOM 667 CE MET A 43 7.152 2.100 -12.700 1.00 0.74 C ATOM 0 H MET A 43 5.775 0.269 -16.885 1.00 0.24 H new ATOM 0 HA MET A 43 7.530 2.415 -15.855 1.00 0.26 H new ATOM 0 HB2 MET A 43 7.404 -0.480 -15.768 1.00 0.27 H new ATOM 0 HB3 MET A 43 8.928 -0.021 -16.502 1.00 0.27 H new ATOM 0 HG2 MET A 43 9.573 0.171 -14.277 1.00 0.39 H new ATOM 0 HG3 MET A 43 8.926 1.787 -14.482 1.00 0.39 H new ATOM 0 HE1 MET A 43 6.090 2.268 -12.522 1.00 0.74 H new ATOM 0 HE2 MET A 43 7.708 2.285 -11.781 1.00 0.74 H new ATOM 0 HE3 MET A 43 7.501 2.779 -13.478 1.00 0.74 H new ATOM 677 N THR A 44 8.299 0.871 -18.682 1.00 0.25 N ATOM 678 CA THR A 44 8.970 1.110 -19.992 1.00 0.29 C ATOM 679 C THR A 44 7.931 1.478 -21.054 1.00 0.29 C ATOM 680 O THR A 44 8.215 1.481 -22.235 1.00 0.33 O ATOM 681 CB THR A 44 9.709 -0.159 -20.423 1.00 0.31 C ATOM 682 OG1 THR A 44 9.411 -0.439 -21.784 1.00 0.45 O ATOM 683 CG2 THR A 44 9.264 -1.332 -19.550 1.00 0.44 C ATOM 0 H THR A 44 8.005 -0.091 -18.514 1.00 0.25 H new ATOM 0 HA THR A 44 9.678 1.932 -19.886 1.00 0.29 H new ATOM 0 HB THR A 44 10.783 -0.011 -20.308 1.00 0.31 H new ATOM 0 HG1 THR A 44 9.445 0.391 -22.304 1.00 0.45 H new ATOM 0 HG21 THR A 44 9.791 -2.235 -19.858 1.00 0.44 H new ATOM 0 HG22 THR A 44 9.493 -1.116 -18.506 1.00 0.44 H new ATOM 0 HG23 THR A 44 8.190 -1.482 -19.662 1.00 0.44 H new ATOM 691 N GLU A 45 6.731 1.791 -20.649 1.00 0.29 N ATOM 692 CA GLU A 45 5.685 2.157 -21.646 1.00 0.32 C ATOM 693 C GLU A 45 5.734 1.174 -22.818 1.00 0.32 C ATOM 694 O GLU A 45 4.853 1.146 -23.655 1.00 0.37 O ATOM 695 CB GLU A 45 5.946 3.575 -22.162 1.00 0.39 C ATOM 696 CG GLU A 45 5.656 4.586 -21.051 1.00 0.60 C ATOM 697 CD GLU A 45 5.854 6.005 -21.588 1.00 0.99 C ATOM 698 OE1 GLU A 45 5.114 6.388 -22.480 1.00 1.45 O ATOM 699 OE2 GLU A 45 6.741 6.684 -21.099 1.00 1.69 O ATOM 0 H GLU A 45 6.430 1.809 -19.675 1.00 0.29 H new ATOM 0 HA GLU A 45 4.703 2.116 -21.175 1.00 0.32 H new ATOM 0 HB2 GLU A 45 6.981 3.668 -22.492 1.00 0.39 H new ATOM 0 HB3 GLU A 45 5.316 3.780 -23.028 1.00 0.39 H new ATOM 0 HG2 GLU A 45 4.635 4.462 -20.689 1.00 0.60 H new ATOM 0 HG3 GLU A 45 6.318 4.411 -20.203 1.00 0.60 H new ATOM 706 N HIS A 46 6.757 0.367 -22.883 1.00 0.29 N ATOM 707 CA HIS A 46 6.867 -0.617 -23.997 1.00 0.30 C ATOM 708 C HIS A 46 5.507 -0.769 -24.682 1.00 0.31 C ATOM 709 O HIS A 46 4.490 -0.389 -24.135 1.00 0.32 O ATOM 710 CB HIS A 46 7.309 -1.968 -23.431 1.00 0.29 C ATOM 711 CG HIS A 46 7.804 -2.847 -24.547 1.00 0.34 C ATOM 712 ND1 HIS A 46 7.025 -3.855 -25.094 1.00 0.41 N ATOM 713 CD2 HIS A 46 8.997 -2.885 -25.226 1.00 0.36 C ATOM 714 CE1 HIS A 46 7.752 -4.451 -26.057 1.00 0.46 C ATOM 715 NE2 HIS A 46 8.962 -3.898 -26.179 1.00 0.43 N ATOM 0 H HIS A 46 7.524 0.347 -22.211 1.00 0.29 H new ATOM 0 HA HIS A 46 7.599 -0.267 -24.725 1.00 0.30 H new ATOM 0 HB2 HIS A 46 8.097 -1.823 -22.692 1.00 0.29 H new ATOM 0 HB3 HIS A 46 6.476 -2.449 -22.919 1.00 0.29 H new ATOM 0 HD2 HIS A 46 9.835 -2.228 -25.047 1.00 0.36 H new ATOM 0 HE1 HIS A 46 7.400 -5.276 -26.658 1.00 0.46 H new ATOM 0 HE2 HIS A 46 9.701 -4.162 -26.831 1.00 0.43 H new ATOM 723 N PRO A 47 5.535 -1.328 -25.862 1.00 0.36 N ATOM 724 CA PRO A 47 4.321 -1.559 -26.664 1.00 0.40 C ATOM 725 C PRO A 47 3.539 -2.752 -26.107 1.00 0.37 C ATOM 726 O PRO A 47 2.374 -2.642 -25.781 1.00 0.45 O ATOM 727 CB PRO A 47 4.866 -1.855 -28.064 1.00 0.47 C ATOM 728 CG PRO A 47 6.328 -2.324 -27.872 1.00 0.46 C ATOM 729 CD PRO A 47 6.784 -1.784 -26.503 1.00 0.41 C ATOM 0 HA PRO A 47 3.630 -0.716 -26.658 1.00 0.40 H new ATOM 0 HB2 PRO A 47 4.273 -2.625 -28.557 1.00 0.47 H new ATOM 0 HB3 PRO A 47 4.822 -0.966 -28.694 1.00 0.47 H new ATOM 0 HG2 PRO A 47 6.394 -3.412 -27.901 1.00 0.46 H new ATOM 0 HG3 PRO A 47 6.965 -1.944 -28.671 1.00 0.46 H new ATOM 0 HD2 PRO A 47 7.276 -2.558 -25.913 1.00 0.41 H new ATOM 0 HD3 PRO A 47 7.497 -0.967 -26.614 1.00 0.41 H new ATOM 737 N SER A 48 4.170 -3.888 -25.987 1.00 0.31 N ATOM 738 CA SER A 48 3.457 -5.076 -25.440 1.00 0.29 C ATOM 739 C SER A 48 3.147 -4.837 -23.965 1.00 0.27 C ATOM 740 O SER A 48 2.170 -5.330 -23.437 1.00 0.26 O ATOM 741 CB SER A 48 4.343 -6.316 -25.560 1.00 0.29 C ATOM 742 OG SER A 48 3.611 -7.360 -26.188 1.00 1.29 O ATOM 0 H SER A 48 5.145 -4.044 -26.243 1.00 0.31 H new ATOM 0 HA SER A 48 2.535 -5.230 -26.001 1.00 0.29 H new ATOM 0 HB2 SER A 48 5.236 -6.084 -26.140 1.00 0.29 H new ATOM 0 HB3 SER A 48 4.678 -6.634 -24.573 1.00 0.29 H new ATOM 0 HG SER A 48 4.167 -8.165 -26.238 1.00 1.29 H new ATOM 748 N GLY A 49 3.982 -4.096 -23.293 1.00 0.28 N ATOM 749 CA GLY A 49 3.746 -3.841 -21.849 1.00 0.30 C ATOM 750 C GLY A 49 3.682 -5.182 -21.126 1.00 0.28 C ATOM 751 O GLY A 49 4.691 -5.815 -20.879 1.00 0.30 O ATOM 0 H GLY A 49 4.816 -3.657 -23.682 1.00 0.28 H new ATOM 0 HA2 GLY A 49 4.546 -3.226 -21.437 1.00 0.30 H new ATOM 0 HA3 GLY A 49 2.816 -3.290 -21.708 1.00 0.30 H new ATOM 755 N SER A 50 2.506 -5.631 -20.800 1.00 0.27 N ATOM 756 CA SER A 50 2.381 -6.939 -20.105 1.00 0.28 C ATOM 757 C SER A 50 2.568 -8.068 -21.116 1.00 0.27 C ATOM 758 O SER A 50 2.531 -9.233 -20.773 1.00 0.29 O ATOM 759 CB SER A 50 1.001 -7.052 -19.457 1.00 0.28 C ATOM 760 OG SER A 50 0.096 -6.182 -20.123 1.00 0.60 O ATOM 0 H SER A 50 1.626 -5.150 -20.984 1.00 0.27 H new ATOM 0 HA SER A 50 3.145 -7.012 -19.331 1.00 0.28 H new ATOM 0 HB2 SER A 50 0.643 -8.080 -19.514 1.00 0.28 H new ATOM 0 HB3 SER A 50 1.061 -6.793 -18.400 1.00 0.28 H new ATOM 0 HG SER A 50 -0.790 -6.254 -19.711 1.00 0.60 H new ATOM 766 N ASP A 51 2.782 -7.736 -22.360 1.00 0.27 N ATOM 767 CA ASP A 51 2.985 -8.788 -23.379 1.00 0.31 C ATOM 768 C ASP A 51 4.424 -9.281 -23.283 1.00 0.35 C ATOM 769 O ASP A 51 4.712 -10.438 -23.512 1.00 0.42 O ATOM 770 CB ASP A 51 2.755 -8.192 -24.765 1.00 0.32 C ATOM 771 CG ASP A 51 1.978 -9.183 -25.633 1.00 0.82 C ATOM 772 OD1 ASP A 51 1.472 -10.149 -25.086 1.00 1.66 O ATOM 773 OD2 ASP A 51 1.900 -8.957 -26.830 1.00 1.43 O ATOM 0 H ASP A 51 2.824 -6.778 -22.709 1.00 0.27 H new ATOM 0 HA ASP A 51 2.291 -9.612 -23.214 1.00 0.31 H new ATOM 0 HB2 ASP A 51 2.202 -7.256 -24.681 1.00 0.32 H new ATOM 0 HB3 ASP A 51 3.711 -7.956 -25.233 1.00 0.32 H new ATOM 778 N LEU A 52 5.329 -8.404 -22.937 1.00 0.35 N ATOM 779 CA LEU A 52 6.750 -8.808 -22.825 1.00 0.41 C ATOM 780 C LEU A 52 6.833 -10.127 -22.064 1.00 0.40 C ATOM 781 O LEU A 52 7.793 -10.865 -22.169 1.00 0.42 O ATOM 782 CB LEU A 52 7.512 -7.718 -22.090 1.00 0.45 C ATOM 783 CG LEU A 52 8.722 -7.295 -22.922 1.00 0.52 C ATOM 784 CD1 LEU A 52 8.585 -7.856 -24.340 1.00 0.58 C ATOM 785 CD2 LEU A 52 8.781 -5.768 -22.989 1.00 0.62 C ATOM 0 H LEU A 52 5.139 -7.424 -22.728 1.00 0.35 H new ATOM 0 HA LEU A 52 7.189 -8.944 -23.813 1.00 0.41 H new ATOM 0 HB2 LEU A 52 6.862 -6.861 -21.912 1.00 0.45 H new ATOM 0 HB3 LEU A 52 7.836 -8.080 -21.114 1.00 0.45 H new ATOM 0 HG LEU A 52 9.633 -7.679 -22.462 1.00 0.52 H new ATOM 0 HD11 LEU A 52 9.447 -7.555 -24.935 1.00 0.58 H new ATOM 0 HD12 LEU A 52 8.535 -8.944 -24.298 1.00 0.58 H new ATOM 0 HD13 LEU A 52 7.675 -7.469 -24.798 1.00 0.58 H new ATOM 0 HD21 LEU A 52 9.643 -5.463 -23.582 1.00 0.62 H new ATOM 0 HD22 LEU A 52 7.870 -5.389 -23.452 1.00 0.62 H new ATOM 0 HD23 LEU A 52 8.872 -5.363 -21.981 1.00 0.62 H new ATOM 797 N ILE A 53 5.815 -10.431 -21.313 1.00 0.37 N ATOM 798 CA ILE A 53 5.793 -11.706 -20.550 1.00 0.36 C ATOM 799 C ILE A 53 4.668 -12.576 -21.111 1.00 0.38 C ATOM 800 O ILE A 53 4.798 -13.776 -21.245 1.00 0.43 O ATOM 801 CB ILE A 53 5.529 -11.405 -19.072 1.00 0.32 C ATOM 802 CG1 ILE A 53 6.521 -10.345 -18.586 1.00 0.34 C ATOM 803 CG2 ILE A 53 5.702 -12.680 -18.245 1.00 0.34 C ATOM 804 CD1 ILE A 53 5.772 -9.266 -17.800 1.00 0.25 C ATOM 0 H ILE A 53 4.989 -9.845 -21.194 1.00 0.37 H new ATOM 0 HA ILE A 53 6.747 -12.225 -20.641 1.00 0.36 H new ATOM 0 HB ILE A 53 4.510 -11.036 -18.955 1.00 0.32 H new ATOM 0 HG12 ILE A 53 7.282 -10.806 -17.957 1.00 0.34 H new ATOM 0 HG13 ILE A 53 7.037 -9.898 -19.436 1.00 0.34 H new ATOM 0 HG21 ILE A 53 5.513 -12.461 -17.194 1.00 0.34 H new ATOM 0 HG22 ILE A 53 4.997 -13.436 -18.590 1.00 0.34 H new ATOM 0 HG23 ILE A 53 6.720 -13.053 -18.360 1.00 0.34 H new ATOM 0 HD11 ILE A 53 6.478 -8.511 -17.454 1.00 0.25 H new ATOM 0 HD12 ILE A 53 5.027 -8.798 -18.444 1.00 0.25 H new ATOM 0 HD13 ILE A 53 5.276 -9.719 -16.942 1.00 0.25 H new ATOM 816 N TYR A 54 3.566 -11.963 -21.452 1.00 0.37 N ATOM 817 CA TYR A 54 2.421 -12.727 -22.022 1.00 0.40 C ATOM 818 C TYR A 54 2.520 -12.723 -23.548 1.00 0.47 C ATOM 819 O TYR A 54 1.555 -12.970 -24.243 1.00 0.57 O ATOM 820 CB TYR A 54 1.109 -12.067 -21.598 1.00 0.40 C ATOM 821 CG TYR A 54 0.977 -12.124 -20.095 1.00 0.44 C ATOM 822 CD1 TYR A 54 1.791 -11.319 -19.289 1.00 1.23 C ATOM 823 CD2 TYR A 54 0.039 -12.981 -19.507 1.00 1.37 C ATOM 824 CE1 TYR A 54 1.668 -11.372 -17.895 1.00 1.26 C ATOM 825 CE2 TYR A 54 -0.083 -13.034 -18.113 1.00 1.42 C ATOM 826 CZ TYR A 54 0.731 -12.229 -17.307 1.00 0.64 C ATOM 827 OH TYR A 54 0.610 -12.281 -15.934 1.00 0.78 O ATOM 0 H TYR A 54 3.410 -10.959 -21.359 1.00 0.37 H new ATOM 0 HA TYR A 54 2.448 -13.753 -21.656 1.00 0.40 H new ATOM 0 HB2 TYR A 54 1.085 -11.031 -21.936 1.00 0.40 H new ATOM 0 HB3 TYR A 54 0.266 -12.575 -22.067 1.00 0.40 H new ATOM 0 HD1 TYR A 54 2.514 -10.657 -19.742 1.00 1.23 H new ATOM 0 HD2 TYR A 54 -0.590 -13.601 -20.128 1.00 1.37 H new ATOM 0 HE1 TYR A 54 2.296 -10.751 -17.274 1.00 1.26 H new ATOM 0 HE2 TYR A 54 -0.805 -13.696 -17.659 1.00 1.42 H new ATOM 0 HH TYR A 54 -0.087 -12.926 -15.691 1.00 0.78 H new ATOM 837 N TYR A 55 3.677 -12.436 -24.075 1.00 0.45 N ATOM 838 CA TYR A 55 3.836 -12.405 -25.555 1.00 0.55 C ATOM 839 C TYR A 55 5.280 -12.744 -25.920 1.00 0.51 C ATOM 840 O TYR A 55 5.982 -11.947 -26.509 1.00 0.58 O ATOM 841 CB TYR A 55 3.488 -11.009 -26.080 1.00 0.69 C ATOM 842 CG TYR A 55 2.567 -11.132 -27.271 1.00 0.91 C ATOM 843 CD1 TYR A 55 1.343 -11.800 -27.144 1.00 1.37 C ATOM 844 CD2 TYR A 55 2.937 -10.578 -28.502 1.00 1.60 C ATOM 845 CE1 TYR A 55 0.489 -11.913 -28.248 1.00 1.56 C ATOM 846 CE2 TYR A 55 2.084 -10.691 -29.606 1.00 1.78 C ATOM 847 CZ TYR A 55 0.860 -11.359 -29.479 1.00 1.41 C ATOM 848 OH TYR A 55 0.018 -11.470 -30.567 1.00 1.68 O ATOM 0 H TYR A 55 4.521 -12.221 -23.544 1.00 0.45 H new ATOM 0 HA TYR A 55 3.167 -13.137 -26.006 1.00 0.55 H new ATOM 0 HB2 TYR A 55 3.009 -10.423 -25.296 1.00 0.69 H new ATOM 0 HB3 TYR A 55 4.397 -10.479 -26.363 1.00 0.69 H new ATOM 0 HD1 TYR A 55 1.058 -12.228 -26.194 1.00 1.37 H new ATOM 0 HD2 TYR A 55 3.881 -10.063 -28.600 1.00 1.60 H new ATOM 0 HE1 TYR A 55 -0.456 -12.427 -28.150 1.00 1.56 H new ATOM 0 HE2 TYR A 55 2.370 -10.263 -30.556 1.00 1.78 H new ATOM 0 HH TYR A 55 0.426 -11.030 -31.342 1.00 1.68 H new ATOM 858 N PRO A 56 5.667 -13.930 -25.553 1.00 0.47 N ATOM 859 CA PRO A 56 7.018 -14.454 -25.812 1.00 0.51 C ATOM 860 C PRO A 56 7.149 -14.889 -27.275 1.00 0.65 C ATOM 861 O PRO A 56 6.341 -15.641 -27.784 1.00 0.79 O ATOM 862 CB PRO A 56 7.122 -15.654 -24.866 1.00 0.51 C ATOM 863 CG PRO A 56 5.669 -16.082 -24.544 1.00 0.52 C ATOM 864 CD PRO A 56 4.777 -14.861 -24.840 1.00 0.47 C ATOM 0 HA PRO A 56 7.806 -13.720 -25.646 1.00 0.51 H new ATOM 0 HB2 PRO A 56 7.673 -16.470 -25.333 1.00 0.51 H new ATOM 0 HB3 PRO A 56 7.659 -15.386 -23.956 1.00 0.51 H new ATOM 0 HG2 PRO A 56 5.372 -16.936 -25.153 1.00 0.52 H new ATOM 0 HG3 PRO A 56 5.576 -16.386 -23.501 1.00 0.52 H new ATOM 0 HD2 PRO A 56 3.916 -15.135 -25.450 1.00 0.47 H new ATOM 0 HD3 PRO A 56 4.390 -14.418 -23.922 1.00 0.47 H new ATOM 872 N LYS A 57 8.158 -14.416 -27.955 1.00 0.75 N ATOM 873 CA LYS A 57 8.341 -14.794 -29.383 1.00 0.90 C ATOM 874 C LYS A 57 7.927 -16.252 -29.588 1.00 0.98 C ATOM 875 O LYS A 57 8.053 -17.074 -28.702 1.00 1.54 O ATOM 876 CB LYS A 57 9.811 -14.622 -29.771 1.00 1.73 C ATOM 877 CG LYS A 57 9.914 -13.704 -30.991 1.00 2.46 C ATOM 878 CD LYS A 57 10.570 -14.463 -32.146 1.00 3.17 C ATOM 879 CE LYS A 57 9.640 -14.448 -33.361 1.00 3.77 C ATOM 880 NZ LYS A 57 9.487 -13.049 -33.851 1.00 4.55 N ATOM 0 H LYS A 57 8.865 -13.783 -27.581 1.00 0.75 H new ATOM 0 HA LYS A 57 7.721 -14.152 -30.008 1.00 0.90 H new ATOM 0 HB2 LYS A 57 10.371 -14.200 -28.937 1.00 1.73 H new ATOM 0 HB3 LYS A 57 10.255 -15.592 -29.994 1.00 1.73 H new ATOM 0 HG2 LYS A 57 8.923 -13.359 -31.285 1.00 2.46 H new ATOM 0 HG3 LYS A 57 10.500 -12.818 -30.745 1.00 2.46 H new ATOM 0 HD2 LYS A 57 11.525 -14.004 -32.400 1.00 3.17 H new ATOM 0 HD3 LYS A 57 10.779 -15.490 -31.848 1.00 3.17 H new ATOM 0 HE2 LYS A 57 10.046 -15.079 -34.151 1.00 3.77 H new ATOM 0 HE3 LYS A 57 8.667 -14.859 -33.093 1.00 3.77 H new ATOM 0 HZ1 LYS A 57 9.204 -13.061 -34.852 1.00 4.55 H new ATOM 0 HZ2 LYS A 57 8.758 -12.563 -33.291 1.00 4.55 H new ATOM 0 HZ3 LYS A 57 10.392 -12.546 -33.753 1.00 4.55 H new ATOM 894 N GLU A 58 7.438 -16.580 -30.753 1.00 1.32 N ATOM 895 CA GLU A 58 7.021 -17.985 -31.015 1.00 2.10 C ATOM 896 C GLU A 58 8.267 -18.852 -31.190 1.00 2.42 C ATOM 897 O GLU A 58 8.702 -19.121 -32.292 1.00 2.90 O ATOM 898 CB GLU A 58 6.174 -18.042 -32.288 1.00 2.66 C ATOM 899 CG GLU A 58 5.725 -19.483 -32.541 1.00 3.44 C ATOM 900 CD GLU A 58 4.935 -19.550 -33.849 1.00 4.19 C ATOM 901 OE1 GLU A 58 5.252 -18.791 -34.750 1.00 4.65 O ATOM 902 OE2 GLU A 58 4.027 -20.361 -33.928 1.00 4.66 O ATOM 0 H GLU A 58 7.310 -15.936 -31.533 1.00 1.32 H new ATOM 0 HA GLU A 58 6.431 -18.354 -30.176 1.00 2.10 H new ATOM 0 HB2 GLU A 58 5.305 -17.392 -32.188 1.00 2.66 H new ATOM 0 HB3 GLU A 58 6.751 -17.675 -33.137 1.00 2.66 H new ATOM 0 HG2 GLU A 58 6.592 -20.141 -32.594 1.00 3.44 H new ATOM 0 HG3 GLU A 58 5.109 -19.834 -31.713 1.00 3.44 H new ATOM 909 N GLY A 59 8.847 -19.282 -30.106 1.00 2.28 N ATOM 910 CA GLY A 59 10.070 -20.124 -30.195 1.00 2.60 C ATOM 911 C GLY A 59 11.182 -19.472 -29.375 1.00 2.42 C ATOM 912 O GLY A 59 12.266 -20.005 -29.243 1.00 2.76 O ATOM 0 H GLY A 59 8.525 -19.086 -29.158 1.00 2.28 H new ATOM 0 HA2 GLY A 59 9.865 -21.127 -29.821 1.00 2.60 H new ATOM 0 HA3 GLY A 59 10.380 -20.229 -31.235 1.00 2.60 H new ATOM 916 N ASP A 60 10.918 -18.320 -28.821 1.00 1.94 N ATOM 917 CA ASP A 60 11.956 -17.629 -28.005 1.00 1.85 C ATOM 918 C ASP A 60 11.835 -18.069 -26.549 1.00 1.56 C ATOM 919 O ASP A 60 11.532 -19.208 -26.252 1.00 1.68 O ATOM 920 CB ASP A 60 11.754 -16.115 -28.091 1.00 1.72 C ATOM 921 CG ASP A 60 13.070 -15.404 -27.770 1.00 2.05 C ATOM 922 OD1 ASP A 60 14.109 -16.026 -27.921 1.00 2.55 O ATOM 923 OD2 ASP A 60 13.016 -14.250 -27.378 1.00 2.26 O ATOM 0 H ASP A 60 10.028 -17.828 -28.898 1.00 1.94 H new ATOM 0 HA ASP A 60 12.944 -17.888 -28.386 1.00 1.85 H new ATOM 0 HB2 ASP A 60 11.414 -15.839 -29.089 1.00 1.72 H new ATOM 0 HB3 ASP A 60 10.979 -15.801 -27.392 1.00 1.72 H new ATOM 928 N ASP A 61 12.071 -17.170 -25.639 1.00 1.30 N ATOM 929 CA ASP A 61 11.972 -17.524 -24.195 1.00 1.06 C ATOM 930 C ASP A 61 11.208 -16.426 -23.453 1.00 0.78 C ATOM 931 O ASP A 61 11.511 -15.255 -23.573 1.00 0.89 O ATOM 932 CB ASP A 61 13.377 -17.655 -23.604 1.00 1.15 C ATOM 933 CG ASP A 61 14.347 -18.118 -24.692 1.00 1.80 C ATOM 934 OD1 ASP A 61 14.432 -19.315 -24.912 1.00 2.51 O ATOM 935 OD2 ASP A 61 14.988 -17.268 -25.288 1.00 2.20 O ATOM 0 H ASP A 61 12.329 -16.202 -25.831 1.00 1.30 H new ATOM 0 HA ASP A 61 11.443 -18.471 -24.089 1.00 1.06 H new ATOM 0 HB2 ASP A 61 13.702 -16.698 -23.196 1.00 1.15 H new ATOM 0 HB3 ASP A 61 13.371 -18.368 -22.780 1.00 1.15 H new ATOM 940 N ASP A 62 10.217 -16.794 -22.688 1.00 0.57 N ATOM 941 CA ASP A 62 9.435 -15.774 -21.940 1.00 0.44 C ATOM 942 C ASP A 62 10.202 -15.364 -20.683 1.00 0.44 C ATOM 943 O ASP A 62 9.799 -14.474 -19.960 1.00 0.80 O ATOM 944 CB ASP A 62 8.084 -16.365 -21.544 1.00 0.55 C ATOM 945 CG ASP A 62 8.156 -17.892 -21.596 1.00 1.21 C ATOM 946 OD1 ASP A 62 8.782 -18.466 -20.720 1.00 1.80 O ATOM 947 OD2 ASP A 62 7.585 -18.462 -22.512 1.00 1.96 O ATOM 0 H ASP A 62 9.916 -17.759 -22.550 1.00 0.57 H new ATOM 0 HA ASP A 62 9.280 -14.898 -22.570 1.00 0.44 H new ATOM 0 HB2 ASP A 62 7.813 -16.038 -20.540 1.00 0.55 H new ATOM 0 HB3 ASP A 62 7.307 -16.004 -22.218 1.00 0.55 H new ATOM 952 N SER A 63 11.308 -16.005 -20.415 1.00 0.32 N ATOM 953 CA SER A 63 12.100 -15.648 -19.205 1.00 0.30 C ATOM 954 C SER A 63 11.952 -14.151 -18.928 1.00 0.28 C ATOM 955 O SER A 63 11.549 -13.397 -19.791 1.00 0.29 O ATOM 956 CB SER A 63 13.573 -15.981 -19.444 1.00 0.34 C ATOM 957 OG SER A 63 13.671 -17.245 -20.087 1.00 1.30 O ATOM 0 H SER A 63 11.696 -16.759 -20.981 1.00 0.32 H new ATOM 0 HA SER A 63 11.736 -16.215 -18.348 1.00 0.30 H new ATOM 0 HB2 SER A 63 14.037 -15.210 -20.060 1.00 0.34 H new ATOM 0 HB3 SER A 63 14.112 -15.999 -18.497 1.00 0.34 H new ATOM 0 HG SER A 63 14.614 -17.460 -20.243 1.00 1.30 H new ATOM 963 N PRO A 64 12.284 -13.771 -17.725 1.00 0.30 N ATOM 964 CA PRO A 64 12.203 -12.369 -17.282 1.00 0.32 C ATOM 965 C PRO A 64 13.384 -11.566 -17.828 1.00 0.33 C ATOM 966 O PRO A 64 13.312 -10.362 -17.974 1.00 0.39 O ATOM 967 CB PRO A 64 12.267 -12.472 -15.756 1.00 0.36 C ATOM 968 CG PRO A 64 12.939 -13.830 -15.439 1.00 0.38 C ATOM 969 CD PRO A 64 12.773 -14.707 -16.694 1.00 0.33 C ATOM 0 HA PRO A 64 11.306 -11.859 -17.632 1.00 0.32 H new ATOM 0 HB2 PRO A 64 12.841 -11.647 -15.335 1.00 0.36 H new ATOM 0 HB3 PRO A 64 11.269 -12.421 -15.321 1.00 0.36 H new ATOM 0 HG2 PRO A 64 13.993 -13.694 -15.198 1.00 0.38 H new ATOM 0 HG3 PRO A 64 12.473 -14.300 -14.573 1.00 0.38 H new ATOM 0 HD2 PRO A 64 13.717 -15.166 -16.988 1.00 0.33 H new ATOM 0 HD3 PRO A 64 12.064 -15.518 -16.523 1.00 0.33 H new ATOM 977 N SER A 65 14.468 -12.219 -18.140 1.00 0.34 N ATOM 978 CA SER A 65 15.641 -11.487 -18.683 1.00 0.37 C ATOM 979 C SER A 65 15.347 -11.086 -20.127 1.00 0.38 C ATOM 980 O SER A 65 15.050 -9.945 -20.414 1.00 0.40 O ATOM 981 CB SER A 65 16.874 -12.389 -18.641 1.00 0.43 C ATOM 982 OG SER A 65 18.009 -11.655 -19.082 1.00 0.88 O ATOM 0 H SER A 65 14.591 -13.227 -18.042 1.00 0.34 H new ATOM 0 HA SER A 65 15.831 -10.597 -18.083 1.00 0.37 H new ATOM 0 HB2 SER A 65 17.036 -12.756 -17.628 1.00 0.43 H new ATOM 0 HB3 SER A 65 16.722 -13.262 -19.276 1.00 0.43 H new ATOM 0 HG SER A 65 18.802 -12.231 -19.054 1.00 0.88 H new ATOM 988 N GLY A 66 15.430 -12.013 -21.039 1.00 0.44 N ATOM 989 CA GLY A 66 15.162 -11.680 -22.457 1.00 0.49 C ATOM 990 C GLY A 66 14.009 -10.690 -22.541 1.00 0.46 C ATOM 991 O GLY A 66 13.782 -10.056 -23.552 1.00 0.52 O ATOM 0 H GLY A 66 15.673 -12.987 -20.859 1.00 0.44 H new ATOM 0 HA2 GLY A 66 16.054 -11.254 -22.916 1.00 0.49 H new ATOM 0 HA3 GLY A 66 14.919 -12.585 -23.014 1.00 0.49 H new ATOM 995 N ILE A 67 13.299 -10.544 -21.471 1.00 0.43 N ATOM 996 CA ILE A 67 12.163 -9.581 -21.449 1.00 0.42 C ATOM 997 C ILE A 67 12.701 -8.221 -21.015 1.00 0.37 C ATOM 998 O ILE A 67 12.305 -7.189 -21.518 1.00 0.39 O ATOM 999 CB ILE A 67 11.099 -10.056 -20.457 1.00 0.43 C ATOM 1000 CG1 ILE A 67 10.646 -11.469 -20.834 1.00 0.57 C ATOM 1001 CG2 ILE A 67 9.900 -9.108 -20.501 1.00 0.48 C ATOM 1002 CD1 ILE A 67 9.284 -11.757 -20.198 1.00 0.41 C ATOM 0 H ILE A 67 13.452 -11.051 -20.600 1.00 0.43 H new ATOM 0 HA ILE A 67 11.710 -9.510 -22.438 1.00 0.42 H new ATOM 0 HB ILE A 67 11.518 -10.064 -19.451 1.00 0.43 H new ATOM 0 HG12 ILE A 67 10.580 -11.564 -21.918 1.00 0.57 H new ATOM 0 HG13 ILE A 67 11.380 -12.200 -20.494 1.00 0.57 H new ATOM 0 HG21 ILE A 67 9.142 -9.447 -19.794 1.00 0.48 H new ATOM 0 HG22 ILE A 67 10.222 -8.102 -20.233 1.00 0.48 H new ATOM 0 HG23 ILE A 67 9.480 -9.099 -21.507 1.00 0.48 H new ATOM 0 HD11 ILE A 67 8.962 -12.763 -20.467 1.00 0.41 H new ATOM 0 HD12 ILE A 67 9.365 -11.680 -19.114 1.00 0.41 H new ATOM 0 HD13 ILE A 67 8.553 -11.034 -20.560 1.00 0.41 H new ATOM 1014 N VAL A 68 13.625 -8.223 -20.095 1.00 0.33 N ATOM 1015 CA VAL A 68 14.225 -6.949 -19.629 1.00 0.29 C ATOM 1016 C VAL A 68 15.282 -6.526 -20.646 1.00 0.30 C ATOM 1017 O VAL A 68 15.530 -5.356 -20.861 1.00 0.29 O ATOM 1018 CB VAL A 68 14.876 -7.186 -18.269 1.00 0.29 C ATOM 1019 CG1 VAL A 68 14.840 -5.898 -17.446 1.00 0.27 C ATOM 1020 CG2 VAL A 68 14.108 -8.284 -17.533 1.00 0.32 C ATOM 0 H VAL A 68 13.991 -9.062 -19.644 1.00 0.33 H new ATOM 0 HA VAL A 68 13.469 -6.169 -19.535 1.00 0.29 H new ATOM 0 HB VAL A 68 15.913 -7.490 -18.409 1.00 0.29 H new ATOM 0 HG11 VAL A 68 15.306 -6.073 -16.476 1.00 0.27 H new ATOM 0 HG12 VAL A 68 15.383 -5.114 -17.973 1.00 0.27 H new ATOM 0 HG13 VAL A 68 13.805 -5.588 -17.301 1.00 0.27 H new ATOM 0 HG21 VAL A 68 14.567 -8.459 -16.560 1.00 0.32 H new ATOM 0 HG22 VAL A 68 13.072 -7.974 -17.395 1.00 0.32 H new ATOM 0 HG23 VAL A 68 14.136 -9.203 -18.119 1.00 0.32 H new ATOM 1030 N ASN A 69 15.896 -7.485 -21.283 1.00 0.36 N ATOM 1031 CA ASN A 69 16.929 -7.171 -22.306 1.00 0.39 C ATOM 1032 C ASN A 69 16.246 -6.554 -23.525 1.00 0.38 C ATOM 1033 O ASN A 69 16.775 -5.671 -24.170 1.00 0.39 O ATOM 1034 CB ASN A 69 17.642 -8.462 -22.719 1.00 0.45 C ATOM 1035 CG ASN A 69 19.093 -8.150 -23.086 1.00 0.68 C ATOM 1036 OD1 ASN A 69 19.532 -7.023 -22.973 1.00 1.34 O ATOM 1037 ND2 ASN A 69 19.863 -9.109 -23.526 1.00 1.39 N ATOM 0 H ASN A 69 15.724 -8.480 -21.136 1.00 0.36 H new ATOM 0 HA ASN A 69 17.657 -6.471 -21.897 1.00 0.39 H new ATOM 0 HB2 ASN A 69 17.610 -9.184 -21.903 1.00 0.45 H new ATOM 0 HB3 ASN A 69 17.131 -8.916 -23.568 1.00 0.45 H new ATOM 0 HD21 ASN A 69 20.832 -8.911 -23.774 1.00 1.39 H new ATOM 0 HD22 ASN A 69 19.495 -10.056 -23.621 1.00 1.39 H new ATOM 1044 N THR A 70 15.066 -7.013 -23.837 1.00 0.39 N ATOM 1045 CA THR A 70 14.332 -6.460 -25.007 1.00 0.41 C ATOM 1046 C THR A 70 13.891 -5.029 -24.692 1.00 0.37 C ATOM 1047 O THR A 70 14.021 -4.135 -25.504 1.00 0.43 O ATOM 1048 CB THR A 70 13.101 -7.324 -25.287 1.00 0.44 C ATOM 1049 OG1 THR A 70 13.267 -7.995 -26.529 1.00 0.47 O ATOM 1050 CG2 THR A 70 11.856 -6.438 -25.345 1.00 0.46 C ATOM 0 H THR A 70 14.577 -7.750 -23.329 1.00 0.39 H new ATOM 0 HA THR A 70 14.981 -6.459 -25.883 1.00 0.41 H new ATOM 0 HB THR A 70 12.984 -8.059 -24.490 1.00 0.44 H new ATOM 0 HG1 THR A 70 12.480 -8.550 -26.709 1.00 0.47 H new ATOM 0 HG21 THR A 70 10.980 -7.055 -25.545 1.00 0.46 H new ATOM 0 HG22 THR A 70 11.730 -5.925 -24.391 1.00 0.46 H new ATOM 0 HG23 THR A 70 11.970 -5.702 -26.140 1.00 0.46 H new ATOM 1058 N VAL A 71 13.373 -4.807 -23.515 1.00 0.32 N ATOM 1059 CA VAL A 71 12.925 -3.437 -23.142 1.00 0.30 C ATOM 1060 C VAL A 71 14.135 -2.505 -23.075 1.00 0.30 C ATOM 1061 O VAL A 71 14.180 -1.483 -23.731 1.00 0.33 O ATOM 1062 CB VAL A 71 12.244 -3.476 -21.780 1.00 0.30 C ATOM 1063 CG1 VAL A 71 13.283 -3.217 -20.698 1.00 0.29 C ATOM 1064 CG2 VAL A 71 11.169 -2.391 -21.721 1.00 0.34 C ATOM 0 H VAL A 71 13.241 -5.517 -22.795 1.00 0.32 H new ATOM 0 HA VAL A 71 12.222 -3.071 -23.891 1.00 0.30 H new ATOM 0 HB VAL A 71 11.785 -4.452 -21.624 1.00 0.30 H new ATOM 0 HG11 VAL A 71 12.804 -3.243 -19.719 1.00 0.29 H new ATOM 0 HG12 VAL A 71 14.056 -3.985 -20.744 1.00 0.29 H new ATOM 0 HG13 VAL A 71 13.735 -2.238 -20.854 1.00 0.29 H new ATOM 0 HG21 VAL A 71 10.680 -2.416 -20.747 1.00 0.34 H new ATOM 0 HG22 VAL A 71 11.629 -1.414 -21.871 1.00 0.34 H new ATOM 0 HG23 VAL A 71 10.430 -2.568 -22.503 1.00 0.34 H new ATOM 1074 N LYS A 72 15.116 -2.848 -22.287 1.00 0.30 N ATOM 1075 CA LYS A 72 16.320 -1.977 -22.182 1.00 0.34 C ATOM 1076 C LYS A 72 16.666 -1.433 -23.568 1.00 0.36 C ATOM 1077 O LYS A 72 16.953 -0.265 -23.734 1.00 0.39 O ATOM 1078 CB LYS A 72 17.498 -2.793 -21.645 1.00 0.40 C ATOM 1079 CG LYS A 72 18.723 -1.887 -21.501 1.00 1.01 C ATOM 1080 CD LYS A 72 19.827 -2.633 -20.749 1.00 1.20 C ATOM 1081 CE LYS A 72 20.568 -3.559 -21.716 1.00 0.99 C ATOM 1082 NZ LYS A 72 21.581 -4.353 -20.964 1.00 1.50 N ATOM 0 H LYS A 72 15.136 -3.691 -21.713 1.00 0.30 H new ATOM 0 HA LYS A 72 16.116 -1.150 -21.502 1.00 0.34 H new ATOM 0 HB2 LYS A 72 17.241 -3.231 -20.681 1.00 0.40 H new ATOM 0 HB3 LYS A 72 17.720 -3.619 -22.321 1.00 0.40 H new ATOM 0 HG2 LYS A 72 19.081 -1.583 -22.485 1.00 1.01 H new ATOM 0 HG3 LYS A 72 18.454 -0.977 -20.964 1.00 1.01 H new ATOM 0 HD2 LYS A 72 20.523 -1.922 -20.304 1.00 1.20 H new ATOM 0 HD3 LYS A 72 19.397 -3.212 -19.932 1.00 1.20 H new ATOM 0 HE2 LYS A 72 19.862 -4.226 -22.211 1.00 0.99 H new ATOM 0 HE3 LYS A 72 21.055 -2.974 -22.496 1.00 0.99 H new ATOM 0 HZ1 LYS A 72 22.085 -4.983 -21.620 1.00 1.50 H new ATOM 0 HZ2 LYS A 72 22.261 -3.709 -20.511 1.00 1.50 H new ATOM 0 HZ3 LYS A 72 21.105 -4.922 -20.235 1.00 1.50 H new ATOM 1096 N GLN A 73 16.633 -2.271 -24.568 1.00 0.37 N ATOM 1097 CA GLN A 73 16.951 -1.800 -25.944 1.00 0.41 C ATOM 1098 C GLN A 73 15.754 -1.024 -26.497 1.00 0.39 C ATOM 1099 O GLN A 73 15.878 -0.242 -27.419 1.00 0.42 O ATOM 1100 CB GLN A 73 17.243 -3.004 -26.843 1.00 0.46 C ATOM 1101 CG GLN A 73 18.707 -3.417 -26.682 1.00 0.58 C ATOM 1102 CD GLN A 73 19.148 -4.227 -27.903 1.00 0.95 C ATOM 1103 OE1 GLN A 73 19.363 -3.677 -28.965 1.00 1.53 O ATOM 1104 NE2 GLN A 73 19.292 -5.519 -27.796 1.00 1.62 N ATOM 0 H GLN A 73 16.400 -3.261 -24.491 1.00 0.37 H new ATOM 0 HA GLN A 73 17.827 -1.152 -25.917 1.00 0.41 H new ATOM 0 HB2 GLN A 73 16.589 -3.835 -26.580 1.00 0.46 H new ATOM 0 HB3 GLN A 73 17.037 -2.753 -27.884 1.00 0.46 H new ATOM 0 HG2 GLN A 73 19.335 -2.533 -26.573 1.00 0.58 H new ATOM 0 HG3 GLN A 73 18.831 -4.010 -25.776 1.00 0.58 H new ATOM 0 HE21 GLN A 73 19.111 -5.980 -26.904 1.00 1.62 H new ATOM 0 HE22 GLN A 73 19.585 -6.068 -28.604 1.00 1.62 H new ATOM 1113 N TRP A 74 14.594 -1.233 -25.935 1.00 0.36 N ATOM 1114 CA TRP A 74 13.384 -0.510 -26.418 1.00 0.37 C ATOM 1115 C TRP A 74 13.594 0.997 -26.254 1.00 0.36 C ATOM 1116 O TRP A 74 13.643 1.735 -27.218 1.00 0.44 O ATOM 1117 CB TRP A 74 12.171 -0.949 -25.594 1.00 0.35 C ATOM 1118 CG TRP A 74 10.913 -0.522 -26.279 1.00 0.37 C ATOM 1119 CD1 TRP A 74 10.445 -1.038 -27.438 1.00 0.47 C ATOM 1120 CD2 TRP A 74 9.954 0.496 -25.867 1.00 0.37 C ATOM 1121 NE1 TRP A 74 9.259 -0.404 -27.764 1.00 0.50 N ATOM 1122 CE2 TRP A 74 8.915 0.550 -26.826 1.00 0.43 C ATOM 1123 CE3 TRP A 74 9.886 1.368 -24.766 1.00 0.40 C ATOM 1124 CZ2 TRP A 74 7.847 1.437 -26.697 1.00 0.47 C ATOM 1125 CZ3 TRP A 74 8.811 2.263 -24.633 1.00 0.46 C ATOM 1126 CH2 TRP A 74 7.794 2.297 -25.597 1.00 0.47 C ATOM 0 H TRP A 74 14.433 -1.876 -25.160 1.00 0.36 H new ATOM 0 HA TRP A 74 13.214 -0.741 -27.470 1.00 0.37 H new ATOM 0 HB2 TRP A 74 12.178 -2.032 -25.468 1.00 0.35 H new ATOM 0 HB3 TRP A 74 12.220 -0.512 -24.597 1.00 0.35 H new ATOM 0 HD1 TRP A 74 10.920 -1.818 -28.015 1.00 0.47 H new ATOM 0 HE1 TRP A 74 8.707 -0.615 -28.595 1.00 0.50 H new ATOM 0 HE3 TRP A 74 10.665 1.350 -24.018 1.00 0.40 H new ATOM 0 HZ2 TRP A 74 7.066 1.459 -27.442 1.00 0.47 H new ATOM 0 HZ3 TRP A 74 8.768 2.928 -23.783 1.00 0.46 H new ATOM 0 HH2 TRP A 74 6.970 2.987 -25.490 1.00 0.47 H new ATOM 1137 N ARG A 75 13.717 1.459 -25.040 1.00 0.33 N ATOM 1138 CA ARG A 75 13.922 2.912 -24.811 1.00 0.34 C ATOM 1139 C ARG A 75 15.091 3.412 -25.661 1.00 0.42 C ATOM 1140 O ARG A 75 15.069 4.514 -26.170 1.00 0.61 O ATOM 1141 CB ARG A 75 14.226 3.143 -23.331 1.00 0.41 C ATOM 1142 CG ARG A 75 13.977 1.853 -22.550 1.00 0.90 C ATOM 1143 CD ARG A 75 12.660 1.973 -21.782 1.00 0.53 C ATOM 1144 NE ARG A 75 12.772 3.064 -20.774 1.00 0.45 N ATOM 1145 CZ ARG A 75 11.724 3.782 -20.471 1.00 0.50 C ATOM 1146 NH1 ARG A 75 10.558 3.478 -20.973 1.00 1.22 N ATOM 1147 NH2 ARG A 75 11.841 4.803 -19.666 1.00 1.19 N ATOM 0 H ARG A 75 13.684 0.888 -24.195 1.00 0.33 H new ATOM 0 HA ARG A 75 13.022 3.458 -25.093 1.00 0.34 H new ATOM 0 HB2 ARG A 75 15.261 3.461 -23.207 1.00 0.41 H new ATOM 0 HB3 ARG A 75 13.598 3.944 -22.941 1.00 0.41 H new ATOM 0 HG2 ARG A 75 13.937 1.003 -23.232 1.00 0.90 H new ATOM 0 HG3 ARG A 75 14.799 1.669 -21.858 1.00 0.90 H new ATOM 0 HD2 ARG A 75 11.842 2.183 -22.471 1.00 0.53 H new ATOM 0 HD3 ARG A 75 12.427 1.030 -21.288 1.00 0.53 H new ATOM 0 HE ARG A 75 13.667 3.250 -20.321 1.00 0.45 H new ATOM 0 HH11 ARG A 75 10.466 2.680 -21.602 1.00 1.22 H new ATOM 0 HH12 ARG A 75 9.739 4.038 -20.737 1.00 1.22 H new ATOM 0 HH21 ARG A 75 12.752 5.041 -19.273 1.00 1.19 H new ATOM 0 HH22 ARG A 75 11.022 5.363 -19.430 1.00 1.19 H new ATOM 1161 N ALA A 76 16.111 2.613 -25.828 1.00 0.59 N ATOM 1162 CA ALA A 76 17.265 3.060 -26.655 1.00 0.73 C ATOM 1163 C ALA A 76 16.796 3.232 -28.093 1.00 0.78 C ATOM 1164 O ALA A 76 17.372 3.968 -28.870 1.00 0.91 O ATOM 1165 CB ALA A 76 18.383 2.017 -26.595 1.00 0.85 C ATOM 0 H ALA A 76 16.194 1.677 -25.430 1.00 0.59 H new ATOM 0 HA ALA A 76 17.649 4.006 -26.274 1.00 0.73 H new ATOM 0 HB1 ALA A 76 19.225 2.350 -27.202 1.00 0.85 H new ATOM 0 HB2 ALA A 76 18.708 1.891 -25.562 1.00 0.85 H new ATOM 0 HB3 ALA A 76 18.014 1.065 -26.978 1.00 0.85 H new ATOM 1171 N ALA A 77 15.740 2.562 -28.442 1.00 0.73 N ATOM 1172 CA ALA A 77 15.199 2.678 -29.816 1.00 0.82 C ATOM 1173 C ALA A 77 14.180 3.807 -29.842 1.00 0.78 C ATOM 1174 O ALA A 77 14.275 4.737 -30.618 1.00 0.91 O ATOM 1175 CB ALA A 77 14.500 1.378 -30.194 1.00 0.80 C ATOM 0 H ALA A 77 15.224 1.933 -27.827 1.00 0.73 H new ATOM 0 HA ALA A 77 16.008 2.879 -30.518 1.00 0.82 H new ATOM 0 HB1 ALA A 77 14.101 1.460 -31.205 1.00 0.80 H new ATOM 0 HB2 ALA A 77 15.214 0.555 -30.152 1.00 0.80 H new ATOM 0 HB3 ALA A 77 13.685 1.187 -29.496 1.00 0.80 H new ATOM 1181 N ASN A 78 13.207 3.731 -28.981 1.00 0.64 N ATOM 1182 CA ASN A 78 12.180 4.771 -28.915 1.00 0.64 C ATOM 1183 C ASN A 78 12.729 5.919 -28.080 1.00 0.59 C ATOM 1184 O ASN A 78 12.055 6.891 -27.802 1.00 0.58 O ATOM 1185 CB ASN A 78 10.963 4.162 -28.241 1.00 0.58 C ATOM 1186 CG ASN A 78 10.239 3.255 -29.228 1.00 0.70 C ATOM 1187 OD1 ASN A 78 9.261 3.645 -29.835 1.00 0.89 O ATOM 1188 ND2 ASN A 78 10.689 2.046 -29.413 1.00 0.64 N ATOM 0 H ASN A 78 13.089 2.971 -28.311 1.00 0.64 H new ATOM 0 HA ASN A 78 11.908 5.144 -29.902 1.00 0.64 H new ATOM 0 HB2 ASN A 78 11.267 3.593 -27.363 1.00 0.58 H new ATOM 0 HB3 ASN A 78 10.293 4.949 -27.895 1.00 0.58 H new ATOM 0 HD21 ASN A 78 10.220 1.422 -30.070 1.00 0.64 H new ATOM 0 HD22 ASN A 78 11.510 1.724 -28.901 1.00 0.64 H new ATOM 1195 N GLY A 79 13.964 5.798 -27.676 1.00 0.62 N ATOM 1196 CA GLY A 79 14.589 6.869 -26.851 1.00 0.64 C ATOM 1197 C GLY A 79 13.818 7.016 -25.538 1.00 0.52 C ATOM 1198 O GLY A 79 13.345 8.083 -25.201 1.00 0.51 O ATOM 0 H GLY A 79 14.568 5.002 -27.882 1.00 0.62 H new ATOM 0 HA2 GLY A 79 15.632 6.625 -26.648 1.00 0.64 H new ATOM 0 HA3 GLY A 79 14.583 7.813 -27.396 1.00 0.64 H new ATOM 1202 N LYS A 80 13.686 5.951 -24.794 1.00 0.46 N ATOM 1203 CA LYS A 80 12.944 6.033 -23.504 1.00 0.41 C ATOM 1204 C LYS A 80 13.854 6.633 -22.430 1.00 0.49 C ATOM 1205 O LYS A 80 15.035 6.825 -22.640 1.00 0.62 O ATOM 1206 CB LYS A 80 12.505 4.631 -23.074 1.00 0.39 C ATOM 1207 CG LYS A 80 11.252 4.224 -23.852 1.00 0.67 C ATOM 1208 CD LYS A 80 10.341 5.441 -24.032 1.00 0.76 C ATOM 1209 CE LYS A 80 9.483 5.255 -25.284 1.00 0.79 C ATOM 1210 NZ LYS A 80 8.583 6.432 -25.450 1.00 1.26 N ATOM 0 H LYS A 80 14.059 5.030 -25.023 1.00 0.46 H new ATOM 0 HA LYS A 80 12.065 6.665 -23.632 1.00 0.41 H new ATOM 0 HB2 LYS A 80 13.307 3.916 -23.257 1.00 0.39 H new ATOM 0 HB3 LYS A 80 12.302 4.615 -22.003 1.00 0.39 H new ATOM 0 HG2 LYS A 80 11.531 3.819 -24.825 1.00 0.67 H new ATOM 0 HG3 LYS A 80 10.721 3.435 -23.319 1.00 0.67 H new ATOM 0 HD2 LYS A 80 9.704 5.564 -23.156 1.00 0.76 H new ATOM 0 HD3 LYS A 80 10.940 6.347 -24.120 1.00 0.76 H new ATOM 0 HE2 LYS A 80 10.120 5.145 -26.161 1.00 0.79 H new ATOM 0 HE3 LYS A 80 8.893 4.342 -25.201 1.00 0.79 H new ATOM 0 HZ1 LYS A 80 7.999 6.305 -26.302 1.00 1.26 H new ATOM 0 HZ2 LYS A 80 7.966 6.518 -24.617 1.00 1.26 H new ATOM 0 HZ3 LYS A 80 9.155 7.295 -25.547 1.00 1.26 H new ATOM 1224 N SER A 81 13.313 6.933 -21.282 1.00 0.52 N ATOM 1225 CA SER A 81 14.146 7.523 -20.196 1.00 0.66 C ATOM 1226 C SER A 81 15.147 6.482 -19.691 1.00 0.68 C ATOM 1227 O SER A 81 15.972 6.760 -18.844 1.00 1.30 O ATOM 1228 CB SER A 81 13.242 7.960 -19.042 1.00 0.76 C ATOM 1229 OG SER A 81 13.463 9.337 -18.768 1.00 1.40 O ATOM 0 H SER A 81 12.330 6.795 -21.048 1.00 0.52 H new ATOM 0 HA SER A 81 14.687 8.386 -20.584 1.00 0.66 H new ATOM 0 HB2 SER A 81 12.196 7.792 -19.300 1.00 0.76 H new ATOM 0 HB3 SER A 81 13.451 7.363 -18.155 1.00 0.76 H new ATOM 0 HG SER A 81 12.884 9.621 -18.030 1.00 1.40 H new ATOM 1235 N GLY A 82 15.081 5.283 -20.203 1.00 0.49 N ATOM 1236 CA GLY A 82 16.029 4.228 -19.749 1.00 0.45 C ATOM 1237 C GLY A 82 15.808 3.950 -18.263 1.00 0.40 C ATOM 1238 O GLY A 82 14.968 4.553 -17.625 1.00 0.42 O ATOM 0 H GLY A 82 14.412 4.989 -20.915 1.00 0.49 H new ATOM 0 HA2 GLY A 82 15.879 3.316 -20.327 1.00 0.45 H new ATOM 0 HA3 GLY A 82 17.056 4.549 -19.921 1.00 0.45 H new ATOM 1242 N PHE A 83 16.553 3.036 -17.710 1.00 0.37 N ATOM 1243 CA PHE A 83 16.404 2.701 -16.292 1.00 0.35 C ATOM 1244 C PHE A 83 17.114 3.750 -15.437 1.00 0.41 C ATOM 1245 O PHE A 83 17.518 4.791 -15.917 1.00 0.56 O ATOM 1246 CB PHE A 83 17.058 1.346 -16.090 1.00 0.36 C ATOM 1247 CG PHE A 83 16.454 0.345 -17.046 1.00 0.74 C ATOM 1248 CD1 PHE A 83 15.296 -0.355 -16.686 1.00 1.54 C ATOM 1249 CD2 PHE A 83 17.051 0.119 -18.291 1.00 1.53 C ATOM 1250 CE1 PHE A 83 14.737 -1.283 -17.573 1.00 1.95 C ATOM 1251 CE2 PHE A 83 16.492 -0.809 -19.177 1.00 1.93 C ATOM 1252 CZ PHE A 83 15.334 -1.510 -18.818 1.00 1.83 C ATOM 0 H PHE A 83 17.270 2.503 -18.202 1.00 0.37 H new ATOM 0 HA PHE A 83 15.354 2.677 -16.002 1.00 0.35 H new ATOM 0 HB2 PHE A 83 18.133 1.421 -16.257 1.00 0.36 H new ATOM 0 HB3 PHE A 83 16.918 1.013 -15.062 1.00 0.36 H new ATOM 0 HD1 PHE A 83 14.835 -0.179 -15.725 1.00 1.54 H new ATOM 0 HD2 PHE A 83 17.943 0.661 -18.568 1.00 1.53 H new ATOM 0 HE1 PHE A 83 13.844 -1.824 -17.296 1.00 1.95 H new ATOM 0 HE2 PHE A 83 16.954 -0.985 -20.137 1.00 1.93 H new ATOM 0 HZ PHE A 83 14.902 -2.226 -19.502 1.00 1.83 H new ATOM 1262 N LYS A 84 17.269 3.482 -14.174 1.00 0.38 N ATOM 1263 CA LYS A 84 17.954 4.458 -13.279 1.00 0.45 C ATOM 1264 C LYS A 84 19.437 4.534 -13.650 1.00 0.53 C ATOM 1265 O LYS A 84 19.797 4.534 -14.811 1.00 0.83 O ATOM 1266 CB LYS A 84 17.814 4.003 -11.825 1.00 0.49 C ATOM 1267 CG LYS A 84 17.755 5.227 -10.909 1.00 1.11 C ATOM 1268 CD LYS A 84 17.696 4.772 -9.450 1.00 1.23 C ATOM 1269 CE LYS A 84 19.064 4.976 -8.796 1.00 1.44 C ATOM 1270 NZ LYS A 84 18.881 5.320 -7.357 1.00 1.93 N ATOM 0 H LYS A 84 16.951 2.627 -13.719 1.00 0.38 H new ATOM 0 HA LYS A 84 17.499 5.441 -13.396 1.00 0.45 H new ATOM 0 HB2 LYS A 84 16.912 3.403 -11.706 1.00 0.49 H new ATOM 0 HB3 LYS A 84 18.657 3.369 -11.549 1.00 0.49 H new ATOM 0 HG2 LYS A 84 18.630 5.857 -11.069 1.00 1.11 H new ATOM 0 HG3 LYS A 84 16.880 5.831 -11.148 1.00 1.11 H new ATOM 0 HD2 LYS A 84 16.936 5.338 -8.912 1.00 1.23 H new ATOM 0 HD3 LYS A 84 17.409 3.722 -9.397 1.00 1.23 H new ATOM 0 HE2 LYS A 84 19.663 4.070 -8.891 1.00 1.44 H new ATOM 0 HE3 LYS A 84 19.607 5.772 -9.305 1.00 1.44 H new ATOM 0 HZ1 LYS A 84 19.811 5.459 -6.912 1.00 1.93 H new ATOM 0 HZ2 LYS A 84 18.325 6.195 -7.277 1.00 1.93 H new ATOM 0 HZ3 LYS A 84 18.379 4.546 -6.876 1.00 1.93 H new ATOM 1284 N GLN A 85 20.301 4.598 -12.674 1.00 0.71 N ATOM 1285 CA GLN A 85 21.759 4.673 -12.972 1.00 0.82 C ATOM 1286 C GLN A 85 22.492 3.567 -12.211 1.00 0.79 C ATOM 1287 O GLN A 85 22.089 3.168 -11.137 1.00 1.11 O ATOM 1288 CB GLN A 85 22.299 6.037 -12.537 1.00 1.19 C ATOM 1289 CG GLN A 85 23.437 6.457 -13.470 1.00 1.42 C ATOM 1290 CD GLN A 85 24.283 7.536 -12.790 1.00 2.04 C ATOM 1291 OE1 GLN A 85 23.932 8.024 -11.735 1.00 2.72 O ATOM 1292 NE2 GLN A 85 25.391 7.931 -13.355 1.00 2.55 N ATOM 0 H GLN A 85 20.060 4.602 -11.683 1.00 0.71 H new ATOM 0 HA GLN A 85 21.919 4.544 -14.043 1.00 0.82 H new ATOM 0 HB2 GLN A 85 21.502 6.780 -12.561 1.00 1.19 H new ATOM 0 HB3 GLN A 85 22.657 5.987 -11.509 1.00 1.19 H new ATOM 0 HG2 GLN A 85 24.057 5.595 -13.716 1.00 1.42 H new ATOM 0 HG3 GLN A 85 23.031 6.836 -14.408 1.00 1.42 H new ATOM 0 HE21 GLN A 85 25.686 7.521 -14.241 1.00 2.55 H new ATOM 0 HE22 GLN A 85 25.962 8.650 -12.910 1.00 2.55 H new ATOM 1301 N GLY A 86 23.566 3.068 -12.759 1.00 0.98 N ATOM 1302 CA GLY A 86 24.323 1.988 -12.066 1.00 1.30 C ATOM 1303 C GLY A 86 25.819 2.154 -12.341 1.00 1.87 C ATOM 1304 O GLY A 86 26.178 2.269 -13.501 1.00 2.50 O ATOM 1305 OXT GLY A 86 26.579 2.162 -11.387 1.00 2.46 O ATOM 0 H GLY A 86 23.952 3.362 -13.656 1.00 0.98 H new ATOM 0 HA2 GLY A 86 24.133 2.027 -10.993 1.00 1.30 H new ATOM 0 HA3 GLY A 86 23.985 1.012 -12.414 1.00 1.30 H new TER 1309 GLY A 86 END