USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) HEADER RIBONUCLEOPROTEIN 29-NOV-95 1VIH TITLE NMR STUDY OF VIGILIN, REPEAT 6, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VIGILIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: KH6, RESIDUES 432 TO 501; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 GENE: HUMAN VIGILIN SIXTH KH REPEAT; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET9D; SOURCE 1 EXPRESSION_SYSTEM_GENE: HUMAN VIGILIN SIXTH KH REPEAT; SOURCE 2 OTHER_DETAILS: N-TERMINAL 6-HISTIDINE FUSION PROTEIN YES KEYWDS RNA-BINDING PROTEIN, RIBONUCLEOPROTEIN EXPDTA SOLUTION NMR AUTHOR G.MUSCO,G.STIER,C.JOSEPH,M.A.C.MORELLI,M.NILGES,T.J.GIBSON, AUTHOR 2 A.PASTORE REVDAT 2 24-FEB-09 1VIH 1 VERSN REVDAT 1 03-APR-96 1VIH 0 JRNL AUTH G.MUSCO,G.STIER,C.JOSEPH,M.A.CASTIGLIONE MORELLI, JRNL AUTH 2 M.NILGES,T.J.GIBSON,A.PASTORE JRNL TITL THREE-DIMENSIONAL STRUCTURE AND STABILITY OF THE JRNL TITL 2 KH DOMAIN: MOLECULAR INSIGHTS INTO THE FRAGILE X JRNL TITL 3 SYNDROME. JRNL REF CELL(CAMBRIDGE,MASS.) V. 85 237 1996 JRNL REFN ISSN 0092-8674 JRNL PMID 8612276 JRNL DOI 10.1016/S0092-8674(00)81100-9 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.A.C.MORELLI,G.STIER,T.J.GIBSON,C.JOSEPH,G.MUSCO, REMARK 1 AUTH 2 A.PASTORE,G.TRAVE REMARK 1 TITL THE KH MODULE HAS AN ALFA(SLASH)BETA FOLD REMARK 1 REF FEBS LETT. V. 358 193 1995 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VIH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 7 -54.55 79.49 REMARK 500 ARG A 8 -158.34 35.99 REMARK 500 VAL A 12 146.84 -173.24 REMARK 500 ASN A 15 98.33 -68.57 REMARK 500 ASP A 17 -65.65 -149.56 REMARK 500 HIS A 18 -178.55 -50.65 REMARK 500 HIS A 21 -71.73 -45.60 REMARK 500 LYS A 27 -70.80 -50.94 REMARK 500 ALA A 30 -48.31 -144.63 REMARK 500 ASP A 48 93.82 42.96 REMARK 500 GLU A 50 -71.06 -134.09 REMARK 500 LYS A 51 -73.79 -87.63 REMARK 500 LEU A 54 111.55 -165.66 REMARK 500 ASP A 60 -67.06 -149.65 REMARK 500 GLU A 73 -67.52 -101.25 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 8 0.21 SIDE_CHAIN REMARK 500 ARG A 22 0.26 SIDE_CHAIN REMARK 500 ARG A 34 0.30 SIDE_CHAIN REMARK 500 ARG A 44 0.31 SIDE_CHAIN REMARK 500 ARG A 56 0.28 SIDE_CHAIN REMARK 500 ARG A 69 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1VIG RELATED DB: PDB DBREF 1VIH A 6 76 UNP Q00341 VIGLN_HUMAN 432 502 SEQRES 1 A 71 ILE ASN ARG MET ASP TYR VAL GLU ILE ASN ILE ASP HIS SEQRES 2 A 71 LYS PHE HIS ARG HIS LEU ILE GLY LYS SER GLY ALA ASN SEQRES 3 A 71 ILE ASN ARG ILE LYS ASP GLN TYR LYS VAL SER VAL ARG SEQRES 4 A 71 ILE PRO PRO ASP SER GLU LYS SER ASN LEU ILE ARG ILE SEQRES 5 A 71 GLU GLY ASP PRO GLN GLY VAL GLN GLN ALA LYS ARG GLU SEQRES 6 A 71 LEU LEU GLU LEU ALA SER HELIX 1 1 HIS A 21 ILE A 25 1 5 HELIX 2 2 ASN A 31 TYR A 39 1 9 HELIX 3 3 GLN A 62 LEU A 74 1 13 SHEET 1 A 3 ASP A 10 ILE A 16 0 SHEET 2 A 3 ASN A 53 GLY A 59 -1 N GLY A 59 O ASP A 10 SHEET 3 A 3 SER A 42 ARG A 44 -1 N ARG A 44 O ARG A 56 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN :FLIP amide:sc= -4.47! C(o=-5.8!,f=-4.5!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -3.17! C(o=-4.7!,f=-3.2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.043) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-6.2!) USER MOD Single : A 23 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.3!) USER MOD Single : A 33 ASN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.0145 (180deg=-0.116) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0188 (180deg=-0.243) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.1!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 66 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.8) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -21.144 -10.038 4.761 1.00 6.51 N ATOM 2 CA ILE A 6 -21.312 -9.126 3.635 1.00 5.95 C ATOM 3 C ILE A 6 -20.475 -7.870 3.838 1.00 5.14 C ATOM 4 O ILE A 6 -20.169 -7.492 4.969 1.00 5.46 O ATOM 5 CB ILE A 6 -22.782 -8.757 3.480 1.00 6.67 C ATOM 6 CG1 ILE A 6 -23.268 -7.972 4.696 1.00 7.44 C ATOM 7 CG2 ILE A 6 -23.628 -10.010 3.283 1.00 6.84 C ATOM 8 CD1 ILE A 6 -23.893 -6.643 4.281 1.00 8.10 C ATOM 0 HA ILE A 6 -20.973 -9.625 2.727 1.00 5.95 H new ATOM 0 HB ILE A 6 -22.887 -8.126 2.598 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -23.999 -8.565 5.246 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -22.432 -7.789 5.372 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -24.675 -9.728 3.174 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -23.298 -10.535 2.386 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -23.516 -10.664 4.148 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -24.230 -6.107 5.168 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -23.153 -6.042 3.753 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -24.744 -6.830 3.625 1.00 8.10 H new ATOM 20 N ASN A 7 -20.099 -7.235 2.732 1.00 4.48 N ATOM 21 CA ASN A 7 -19.283 -6.020 2.759 1.00 4.06 C ATOM 22 C ASN A 7 -17.808 -6.376 2.978 1.00 3.11 C ATOM 23 O ASN A 7 -16.951 -5.982 2.189 1.00 3.46 O ATOM 24 CB ASN A 7 -19.826 -5.028 3.816 1.00 4.82 C ATOM 25 CG ASN A 7 -19.031 -5.047 5.125 1.00 5.60 C ATOM 26 OD1 ASN A 7 -17.800 -4.550 5.076 1.00 5.87 O flip ATOM 27 ND2 ASN A 7 -19.527 -5.490 6.161 1.00 6.34 N flip ATOM 0 H ASN A 7 -20.349 -7.545 1.793 1.00 4.48 H new ATOM 0 HA ASN A 7 -19.347 -5.516 1.794 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -19.808 -4.020 3.402 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -20.868 -5.267 4.028 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -20.477 -5.862 6.153 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.988 -5.485 7.027 1.00 6.34 H new ATOM 34 N ARG A 8 -17.531 -7.125 4.053 1.00 2.49 N ATOM 35 CA ARG A 8 -16.172 -7.560 4.400 1.00 2.11 C ATOM 36 C ARG A 8 -15.128 -6.491 4.065 1.00 1.69 C ATOM 37 O ARG A 8 -15.452 -5.308 3.951 1.00 2.38 O ATOM 38 CB ARG A 8 -15.852 -8.890 3.695 1.00 2.95 C ATOM 39 CG ARG A 8 -15.417 -8.699 2.238 1.00 3.61 C ATOM 40 CD ARG A 8 -15.937 -9.825 1.345 1.00 4.57 C ATOM 41 NE ARG A 8 -17.380 -9.978 1.502 1.00 5.39 N ATOM 42 CZ ARG A 8 -18.233 -9.544 0.579 1.00 6.19 C ATOM 43 NH1 ARG A 8 -18.055 -8.359 0.015 1.00 6.74 N ATOM 44 NH2 ARG A 8 -19.262 -10.298 0.214 1.00 6.68 N ATOM 0 H ARG A 8 -18.244 -7.447 4.708 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.130 -7.714 5.478 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -15.061 -9.405 4.241 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -16.731 -9.533 3.726 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -15.786 -7.742 1.870 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -14.329 -8.664 2.184 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -15.700 -9.610 0.303 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -15.437 -10.759 1.600 1.00 4.57 H new ATOM 0 HE ARG A 8 -17.743 -10.429 2.341 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -17.263 -7.778 0.289 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -18.710 -8.028 -0.693 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -19.401 -11.214 0.642 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -19.915 -9.962 -0.494 1.00 6.68 H new ATOM 58 N MET A 9 -13.877 -6.913 3.913 1.00 1.18 N ATOM 59 CA MET A 9 -12.792 -5.993 3.593 1.00 0.82 C ATOM 60 C MET A 9 -12.005 -6.510 2.395 1.00 0.72 C ATOM 61 O MET A 9 -11.496 -7.630 2.415 1.00 0.97 O ATOM 62 CB MET A 9 -11.871 -5.833 4.799 1.00 1.08 C ATOM 63 CG MET A 9 -12.490 -4.911 5.847 1.00 1.61 C ATOM 64 SD MET A 9 -12.966 -5.793 7.343 1.00 2.27 S ATOM 65 CE MET A 9 -11.366 -6.001 8.140 1.00 2.82 C ATOM 0 H MET A 9 -13.589 -7.887 4.006 1.00 1.18 H new ATOM 0 HA MET A 9 -13.215 -5.020 3.342 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.673 -6.809 5.241 1.00 1.08 H new ATOM 0 HB3 MET A 9 -10.912 -5.429 4.476 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.778 -4.126 6.102 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.366 -4.421 5.423 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.495 -6.533 9.083 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.706 -6.574 7.488 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.926 -5.023 8.333 1.00 2.82 H new ATOM 75 N ASP A 10 -11.912 -5.694 1.350 1.00 0.49 N ATOM 76 CA ASP A 10 -11.188 -6.083 0.142 1.00 0.42 C ATOM 77 C ASP A 10 -9.697 -5.839 0.317 1.00 0.38 C ATOM 78 O ASP A 10 -9.291 -4.861 0.939 1.00 0.54 O ATOM 79 CB ASP A 10 -11.704 -5.296 -1.057 1.00 0.44 C ATOM 80 CG ASP A 10 -13.227 -5.310 -1.083 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.824 -6.255 -0.525 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.821 -4.376 -1.662 1.00 1.53 O ATOM 0 H ASP A 10 -12.327 -4.763 1.314 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.353 -7.146 -0.033 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.344 -4.268 -1.008 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.314 -5.727 -1.979 1.00 0.44 H new ATOM 87 N TYR A 11 -8.885 -6.734 -0.236 1.00 0.40 N ATOM 88 CA TYR A 11 -7.434 -6.614 -0.129 1.00 0.37 C ATOM 89 C TYR A 11 -6.761 -6.836 -1.479 1.00 0.34 C ATOM 90 O TYR A 11 -7.405 -7.219 -2.456 1.00 0.38 O ATOM 91 CB TYR A 11 -6.905 -7.618 0.891 1.00 0.42 C ATOM 92 CG TYR A 11 -7.032 -9.049 0.430 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.242 -9.713 0.548 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.938 -9.703 -0.110 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.356 -11.027 0.124 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.054 -11.016 -0.533 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.261 -11.672 -0.413 1.00 0.67 C ATOM 98 OH TYR A 11 -7.374 -12.977 -0.834 1.00 0.78 O ATOM 0 H TYR A 11 -9.205 -7.548 -0.761 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.199 -5.603 0.202 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.857 -7.400 1.097 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.447 -7.495 1.829 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.097 -9.206 0.971 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -4.993 -9.188 -0.201 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.299 -11.545 0.214 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.201 -11.526 -0.956 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.513 -13.282 -1.188 1.00 0.78 H new ATOM 108 N VAL A 12 -5.456 -6.582 -1.519 1.00 0.34 N ATOM 109 CA VAL A 12 -4.668 -6.738 -2.737 1.00 0.34 C ATOM 110 C VAL A 12 -3.189 -6.535 -2.423 1.00 0.35 C ATOM 111 O VAL A 12 -2.837 -5.743 -1.549 1.00 0.51 O ATOM 112 CB VAL A 12 -5.122 -5.721 -3.778 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.068 -4.310 -3.200 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.261 -5.820 -5.034 1.00 0.81 C ATOM 0 H VAL A 12 -4.918 -6.264 -0.713 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.814 -7.743 -3.133 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.153 -5.943 -4.052 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.395 -3.595 -3.955 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.724 -4.247 -2.332 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.046 -4.079 -2.900 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.600 -5.087 -5.766 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.220 -5.623 -4.778 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.348 -6.821 -5.457 1.00 0.81 H new ATOM 124 N GLU A 13 -2.325 -7.252 -3.135 1.00 0.49 N ATOM 125 CA GLU A 13 -0.883 -7.143 -2.919 1.00 0.54 C ATOM 126 C GLU A 13 -0.194 -6.634 -4.179 1.00 0.50 C ATOM 127 O GLU A 13 -0.400 -7.170 -5.268 1.00 0.60 O ATOM 128 CB GLU A 13 -0.295 -8.499 -2.522 1.00 0.67 C ATOM 129 CG GLU A 13 -1.278 -9.327 -1.695 1.00 1.05 C ATOM 130 CD GLU A 13 -0.585 -9.901 -0.466 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.118 -9.140 0.232 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.748 -11.111 -0.201 1.00 1.97 O ATOM 0 H GLU A 13 -2.595 -7.913 -3.864 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.713 -6.434 -2.109 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.020 -9.052 -3.420 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.620 -8.344 -1.950 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.119 -8.705 -1.389 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.684 -10.136 -2.303 1.00 1.05 H new ATOM 139 N ILE A 14 0.633 -5.603 -4.025 1.00 0.48 N ATOM 140 CA ILE A 14 1.361 -5.030 -5.156 1.00 0.49 C ATOM 141 C ILE A 14 2.777 -5.585 -5.204 1.00 0.48 C ATOM 142 O ILE A 14 3.532 -5.477 -4.235 1.00 0.43 O ATOM 143 CB ILE A 14 1.402 -3.502 -5.072 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.576 -3.028 -3.631 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.136 -2.899 -5.670 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.893 -1.536 -3.577 1.00 0.63 C ATOM 0 H ILE A 14 0.816 -5.148 -3.131 1.00 0.48 H new ATOM 0 HA ILE A 14 0.834 -5.307 -6.069 1.00 0.49 H new ATOM 0 HB ILE A 14 2.263 -3.163 -5.648 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.666 -3.230 -3.066 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.379 -3.591 -3.154 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.183 -1.812 -5.601 1.00 0.64 H new ATOM 0 HG22 ILE A 14 0.052 -3.193 -6.716 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.734 -3.260 -5.121 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.012 -1.227 -2.539 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.817 -1.340 -4.122 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.077 -0.974 -4.032 1.00 0.63 H new ATOM 158 N ASN A 15 3.128 -6.185 -6.338 1.00 0.59 N ATOM 159 CA ASN A 15 4.451 -6.768 -6.523 1.00 0.62 C ATOM 160 C ASN A 15 5.512 -5.680 -6.584 1.00 0.60 C ATOM 161 O ASN A 15 5.731 -5.067 -7.629 1.00 0.78 O ATOM 162 CB ASN A 15 4.484 -7.599 -7.802 1.00 0.79 C ATOM 163 CG ASN A 15 5.126 -8.952 -7.528 1.00 1.31 C ATOM 164 OD1 ASN A 15 4.361 -9.857 -6.930 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 6.293 -9.174 -7.849 1.00 1.54 N flip ATOM 0 H ASN A 15 2.511 -6.280 -7.145 1.00 0.59 H new ATOM 0 HA ASN A 15 4.664 -7.414 -5.672 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.472 -7.738 -8.181 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.044 -7.071 -8.574 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.843 -8.447 -8.307 1.00 1.54 H new ATOM 0 HD22 ASN A 15 6.710 -10.085 -7.657 1.00 1.54 H new ATOM 172 N ILE A 16 6.172 -5.453 -5.457 1.00 0.49 N ATOM 173 CA ILE A 16 7.221 -4.445 -5.367 1.00 0.49 C ATOM 174 C ILE A 16 8.578 -5.128 -5.236 1.00 0.56 C ATOM 175 O ILE A 16 8.650 -6.320 -4.942 1.00 0.66 O ATOM 176 CB ILE A 16 6.958 -3.537 -4.168 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.649 -2.772 -4.359 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.112 -2.563 -3.954 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.747 -1.789 -5.522 1.00 0.84 C ATOM 0 H ILE A 16 5.999 -5.956 -4.587 1.00 0.49 H new ATOM 0 HA ILE A 16 7.223 -3.836 -6.271 1.00 0.49 H new ATOM 0 HB ILE A 16 6.875 -4.165 -3.281 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.837 -3.476 -4.542 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.403 -2.233 -3.444 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.898 -1.929 -3.094 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.031 -3.121 -3.774 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.233 -1.942 -4.842 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.800 -1.260 -5.632 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.543 -1.071 -5.325 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.968 -2.333 -6.440 1.00 0.84 H new ATOM 191 N ASP A 17 9.651 -4.377 -5.465 1.00 0.63 N ATOM 192 CA ASP A 17 10.996 -4.934 -5.376 1.00 0.75 C ATOM 193 C ASP A 17 12.002 -3.875 -4.936 1.00 1.00 C ATOM 194 O ASP A 17 12.587 -3.975 -3.856 1.00 1.75 O ATOM 195 CB ASP A 17 11.404 -5.505 -6.730 1.00 1.27 C ATOM 196 CG ASP A 17 11.565 -7.016 -6.637 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.290 -7.482 -5.733 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.966 -7.732 -7.467 1.00 2.21 O ATOM 0 H ASP A 17 9.616 -3.388 -5.712 1.00 0.63 H new ATOM 0 HA ASP A 17 10.991 -5.728 -4.629 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.651 -5.258 -7.479 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.340 -5.052 -7.057 1.00 1.27 H new ATOM 203 N HIS A 18 12.210 -2.868 -5.780 1.00 1.27 N ATOM 204 CA HIS A 18 13.158 -1.795 -5.481 1.00 1.85 C ATOM 205 C HIS A 18 12.902 -1.218 -4.096 1.00 1.32 C ATOM 206 O HIS A 18 12.013 -1.671 -3.376 1.00 2.00 O ATOM 207 CB HIS A 18 13.051 -0.693 -6.531 1.00 2.83 C ATOM 208 CG HIS A 18 14.358 -0.416 -7.209 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.462 -0.042 -8.524 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.637 -0.457 -6.755 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.718 0.136 -8.865 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.469 -0.110 -7.804 1.00 4.84 N ATOM 0 H HIS A 18 11.735 -2.771 -6.678 1.00 1.27 H new ATOM 0 HA HIS A 18 14.165 -2.213 -5.501 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.311 -0.979 -7.279 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.690 0.220 -6.058 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.949 -0.715 -5.754 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.075 0.431 -9.841 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.487 -0.053 -7.766 1.00 4.84 H new ATOM 220 N LYS A 19 13.689 -0.211 -3.728 1.00 0.82 N ATOM 221 CA LYS A 19 13.554 0.436 -2.427 1.00 0.84 C ATOM 222 C LYS A 19 12.309 1.312 -2.398 1.00 0.77 C ATOM 223 O LYS A 19 12.397 2.533 -2.265 1.00 1.13 O ATOM 224 CB LYS A 19 14.795 1.273 -2.129 1.00 1.47 C ATOM 225 CG LYS A 19 16.000 0.384 -1.834 1.00 1.97 C ATOM 226 CD LYS A 19 17.291 1.197 -1.786 1.00 2.72 C ATOM 227 CE LYS A 19 18.251 0.779 -2.897 1.00 3.37 C ATOM 228 NZ LYS A 19 17.814 1.314 -4.218 1.00 4.03 N ATOM 0 H LYS A 19 14.429 0.175 -4.314 1.00 0.82 H new ATOM 0 HA LYS A 19 13.455 -0.333 -1.661 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.015 1.918 -2.979 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.602 1.924 -1.276 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.854 -0.126 -0.882 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.082 -0.387 -2.600 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.059 2.258 -1.883 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.772 1.063 -0.817 1.00 2.72 H new ATOM 0 HE2 LYS A 19 19.254 1.140 -2.669 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.307 -0.309 -2.943 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.485 1.014 -4.953 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 16.867 0.949 -4.444 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.785 2.353 -4.179 1.00 4.03 H new ATOM 242 N PHE A 20 11.149 0.676 -2.526 1.00 0.63 N ATOM 243 CA PHE A 20 9.874 1.385 -2.518 1.00 0.61 C ATOM 244 C PHE A 20 9.404 1.626 -1.088 1.00 0.62 C ATOM 245 O PHE A 20 9.037 2.743 -0.722 1.00 0.95 O ATOM 246 CB PHE A 20 8.829 0.566 -3.267 1.00 0.62 C ATOM 247 CG PHE A 20 8.574 1.068 -4.665 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.633 1.471 -5.461 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.280 1.123 -5.155 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.398 1.928 -6.747 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.045 1.581 -6.441 1.00 1.17 C ATOM 252 CZ PHE A 20 8.103 1.983 -7.237 1.00 1.19 C ATOM 0 H PHE A 20 11.066 -0.335 -2.637 1.00 0.63 H new ATOM 0 HA PHE A 20 10.008 2.349 -3.009 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.156 -0.473 -3.315 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.894 0.581 -2.706 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.642 1.429 -5.079 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.454 0.809 -4.534 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.224 2.242 -7.368 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.036 1.624 -6.823 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.920 2.340 -8.240 1.00 1.19 H new ATOM 262 N HIS A 21 9.409 0.565 -0.287 1.00 0.53 N ATOM 263 CA HIS A 21 8.976 0.636 1.108 1.00 0.57 C ATOM 264 C HIS A 21 9.570 1.851 1.814 1.00 0.69 C ATOM 265 O HIS A 21 8.861 2.810 2.119 1.00 1.03 O ATOM 266 CB HIS A 21 9.392 -0.638 1.836 1.00 0.54 C ATOM 267 CG HIS A 21 8.662 -1.849 1.346 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.392 -2.935 2.136 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.136 -2.159 0.133 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.744 -3.856 1.464 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.568 -3.416 0.229 1.00 0.42 N ATOM 0 H HIS A 21 9.711 -0.363 -0.582 1.00 0.53 H new ATOM 0 HA HIS A 21 7.891 0.735 1.124 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.464 -0.790 1.710 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.210 -0.517 2.904 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.660 -3.017 3.117 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.157 -1.536 -0.749 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.412 -4.808 1.851 1.00 0.45 H new ATOM 279 N ARG A 22 10.874 1.802 2.083 1.00 0.68 N ATOM 280 CA ARG A 22 11.568 2.895 2.767 1.00 0.80 C ATOM 281 C ARG A 22 11.153 4.249 2.198 1.00 0.81 C ATOM 282 O ARG A 22 10.833 5.174 2.945 1.00 0.92 O ATOM 283 CB ARG A 22 13.078 2.719 2.631 1.00 0.93 C ATOM 284 CG ARG A 22 13.830 3.745 3.475 1.00 1.64 C ATOM 285 CD ARG A 22 15.290 3.342 3.671 1.00 2.14 C ATOM 286 NE ARG A 22 15.381 2.163 4.528 1.00 2.73 N ATOM 287 CZ ARG A 22 16.510 1.469 4.646 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.085 0.947 3.572 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.065 1.296 5.838 1.00 3.95 N ATOM 0 H ARG A 22 11.474 1.015 1.837 1.00 0.68 H new ATOM 0 HA ARG A 22 11.292 2.866 3.821 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.359 1.713 2.941 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.366 2.823 1.585 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.782 4.721 2.992 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.345 3.845 4.446 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.749 3.134 2.705 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.845 4.167 4.117 1.00 2.14 H new ATOM 0 HE ARG A 22 14.557 1.864 5.050 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.662 1.077 2.653 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.951 0.415 3.664 1.00 3.72 H new ATOM 0 HH21 ARG A 22 16.626 1.695 6.668 1.00 3.95 H new ATOM 0 HH22 ARG A 22 17.931 0.763 5.925 1.00 3.95 H new ATOM 303 N HIS A 23 11.163 4.359 0.875 1.00 0.90 N ATOM 304 CA HIS A 23 10.791 5.601 0.206 1.00 0.98 C ATOM 305 C HIS A 23 9.366 6.001 0.570 1.00 0.96 C ATOM 306 O HIS A 23 9.103 7.155 0.909 1.00 1.12 O ATOM 307 CB HIS A 23 10.910 5.434 -1.306 1.00 1.02 C ATOM 308 CG HIS A 23 12.169 6.028 -1.857 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.749 7.163 -1.352 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.978 5.648 -2.880 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.841 7.468 -2.013 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.015 6.561 -2.960 1.00 1.86 N ATOM 0 H HIS A 23 11.425 3.602 0.243 1.00 0.90 H new ATOM 0 HA HIS A 23 11.469 6.388 0.537 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.875 4.373 -1.554 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.051 5.902 -1.788 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.837 4.787 -3.517 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.485 8.312 -1.818 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.781 6.538 -3.633 1.00 1.86 H new ATOM 320 N LEU A 24 8.448 5.044 0.490 1.00 0.86 N ATOM 321 CA LEU A 24 7.044 5.297 0.801 1.00 0.87 C ATOM 322 C LEU A 24 6.866 5.642 2.276 1.00 0.97 C ATOM 323 O LEU A 24 6.399 6.730 2.614 1.00 1.16 O ATOM 324 CB LEU A 24 6.205 4.071 0.448 1.00 0.73 C ATOM 325 CG LEU A 24 5.963 3.985 -1.056 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.058 2.538 -1.532 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.605 4.580 -1.414 1.00 1.25 C ATOM 0 H LEU A 24 8.651 4.084 0.212 1.00 0.86 H new ATOM 0 HA LEU A 24 6.709 6.148 0.208 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.712 3.169 0.790 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.250 4.117 0.971 1.00 0.73 H new ATOM 0 HG LEU A 24 6.735 4.564 -1.563 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.883 2.496 -2.607 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.051 2.147 -1.311 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.308 1.936 -1.018 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.450 4.510 -2.491 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.819 4.029 -0.897 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.575 5.626 -1.110 1.00 1.25 H new ATOM 339 N ILE A 25 7.230 4.711 3.151 1.00 0.92 N ATOM 340 CA ILE A 25 7.098 4.923 4.590 1.00 1.10 C ATOM 341 C ILE A 25 7.782 6.221 5.005 1.00 1.41 C ATOM 342 O ILE A 25 7.422 6.828 6.013 1.00 1.91 O ATOM 343 CB ILE A 25 7.691 3.740 5.354 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.199 3.644 5.133 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.016 2.438 4.939 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.892 3.085 6.371 1.00 0.91 C ATOM 0 H ILE A 25 7.618 3.804 2.891 1.00 0.92 H new ATOM 0 HA ILE A 25 6.038 5.001 4.834 1.00 1.10 H new ATOM 0 HB ILE A 25 7.510 3.905 6.416 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.406 3.004 4.275 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.601 4.630 4.900 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.453 1.608 5.495 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.949 2.497 5.154 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.163 2.276 3.871 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.965 3.025 6.191 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.702 3.740 7.221 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.504 2.089 6.587 1.00 0.91 H new ATOM 358 N GLY A 26 8.767 6.647 4.222 1.00 1.49 N ATOM 359 CA GLY A 26 9.496 7.878 4.511 1.00 1.87 C ATOM 360 C GLY A 26 10.386 7.706 5.735 1.00 1.82 C ATOM 361 O GLY A 26 11.057 6.686 5.888 1.00 2.29 O ATOM 0 H GLY A 26 9.079 6.159 3.383 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.104 8.156 3.650 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.791 8.692 4.680 1.00 1.87 H new ATOM 365 N LYS A 27 10.386 8.710 6.607 1.00 1.86 N ATOM 366 CA LYS A 27 11.195 8.673 7.822 1.00 1.91 C ATOM 367 C LYS A 27 10.957 7.373 8.579 1.00 1.62 C ATOM 368 O LYS A 27 11.828 6.503 8.626 1.00 2.38 O ATOM 369 CB LYS A 27 10.854 9.866 8.712 1.00 2.21 C ATOM 370 CG LYS A 27 11.771 9.930 9.931 1.00 2.65 C ATOM 371 CD LYS A 27 13.241 9.893 9.522 1.00 3.30 C ATOM 372 CE LYS A 27 13.552 10.954 8.470 1.00 3.80 C ATOM 373 NZ LYS A 27 13.456 12.327 9.041 1.00 4.51 N ATOM 0 H LYS A 27 9.834 9.560 6.495 1.00 1.86 H new ATOM 0 HA LYS A 27 12.247 8.726 7.543 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.944 10.788 8.138 1.00 2.21 H new ATOM 0 HB3 LYS A 27 9.816 9.794 9.038 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.570 10.843 10.492 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.555 9.093 10.595 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.869 10.053 10.399 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.487 8.906 9.130 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.554 10.792 8.073 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.858 10.856 7.635 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 13.673 13.026 8.302 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.493 12.488 9.398 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.136 12.427 9.822 1.00 4.51 H new ATOM 387 N SER A 28 9.773 7.243 9.169 1.00 1.28 N ATOM 388 CA SER A 28 9.419 6.045 9.922 1.00 1.60 C ATOM 389 C SER A 28 7.979 5.643 9.630 1.00 1.60 C ATOM 390 O SER A 28 7.261 5.179 10.516 1.00 2.28 O ATOM 391 CB SER A 28 9.595 6.295 11.416 1.00 1.99 C ATOM 392 OG SER A 28 9.436 7.676 11.707 1.00 2.57 O ATOM 0 H SER A 28 9.042 7.953 9.140 1.00 1.28 H new ATOM 0 HA SER A 28 10.079 5.234 9.616 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.865 5.712 11.978 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.583 5.961 11.734 1.00 1.99 H new ATOM 0 HG SER A 28 9.550 7.823 12.669 1.00 2.57 H new ATOM 398 N GLY A 29 7.561 5.822 8.381 1.00 1.21 N ATOM 399 CA GLY A 29 6.204 5.477 7.969 1.00 1.23 C ATOM 400 C GLY A 29 5.257 6.646 8.197 1.00 1.36 C ATOM 401 O GLY A 29 4.952 7.000 9.336 1.00 2.05 O ATOM 0 H GLY A 29 8.143 6.204 7.636 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.199 5.199 6.915 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.859 4.608 8.530 1.00 1.23 H new ATOM 405 N ALA A 30 4.794 7.243 7.103 1.00 1.00 N ATOM 406 CA ALA A 30 3.879 8.378 7.171 1.00 1.10 C ATOM 407 C ALA A 30 2.883 8.319 6.021 1.00 1.06 C ATOM 408 O ALA A 30 1.677 8.463 6.221 1.00 1.43 O ATOM 409 CB ALA A 30 4.665 9.684 7.109 1.00 1.27 C ATOM 0 H ALA A 30 5.039 6.958 6.155 1.00 1.00 H new ATOM 0 HA ALA A 30 3.333 8.334 8.113 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.975 10.527 7.160 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.359 9.731 7.948 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.223 9.729 6.174 1.00 1.27 H new ATOM 415 N ASN A 31 3.397 8.106 4.814 1.00 0.73 N ATOM 416 CA ASN A 31 2.556 8.026 3.625 1.00 0.69 C ATOM 417 C ASN A 31 1.439 7.012 3.831 1.00 0.60 C ATOM 418 O ASN A 31 0.308 7.224 3.393 1.00 0.58 O ATOM 419 CB ASN A 31 3.402 7.634 2.418 1.00 0.71 C ATOM 420 CG ASN A 31 4.051 8.870 1.810 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.877 9.983 2.307 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.802 8.677 0.733 1.00 1.42 N ATOM 0 H ASN A 31 4.394 7.985 4.633 1.00 0.73 H new ATOM 0 HA ASN A 31 2.108 9.004 3.446 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.170 6.921 2.718 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.780 7.137 1.674 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.262 9.469 0.284 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.919 7.737 0.355 1.00 1.42 H new ATOM 429 N ILE A 32 1.759 5.910 4.504 1.00 0.58 N ATOM 430 CA ILE A 32 0.778 4.862 4.771 1.00 0.56 C ATOM 431 C ILE A 32 -0.483 5.459 5.384 1.00 0.52 C ATOM 432 O ILE A 32 -1.583 4.942 5.192 1.00 0.51 O ATOM 433 CB ILE A 32 1.370 3.820 5.714 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.767 4.466 7.038 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.572 3.133 5.072 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.304 3.428 8.018 1.00 1.07 C ATOM 0 H ILE A 32 2.690 5.720 4.874 1.00 0.58 H new ATOM 0 HA ILE A 32 0.516 4.382 3.828 1.00 0.56 H new ATOM 0 HB ILE A 32 0.610 3.064 5.911 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.525 5.229 6.861 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.904 4.969 7.474 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.979 2.393 5.761 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.260 2.639 4.152 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.336 3.876 4.843 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.579 3.918 8.952 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.536 2.680 8.213 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.182 2.944 7.590 1.00 1.07 H new ATOM 448 N ASN A 33 -0.315 6.553 6.120 1.00 0.56 N ATOM 449 CA ASN A 33 -1.439 7.227 6.762 1.00 0.59 C ATOM 450 C ASN A 33 -2.098 8.199 5.793 1.00 0.54 C ATOM 451 O ASN A 33 -3.313 8.397 5.827 1.00 0.55 O ATOM 452 CB ASN A 33 -0.958 7.975 8.002 1.00 0.71 C ATOM 453 CG ASN A 33 -1.993 7.874 9.116 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.591 8.874 9.514 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.204 6.664 9.620 1.00 1.62 N ATOM 0 H ASN A 33 0.590 6.993 6.287 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.173 6.477 7.059 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.009 7.560 8.340 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.779 9.022 7.757 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.885 6.535 10.368 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.685 5.864 9.259 1.00 1.62 H new ATOM 462 N ARG A 34 -1.291 8.804 4.927 1.00 0.55 N ATOM 463 CA ARG A 34 -1.795 9.758 3.945 1.00 0.56 C ATOM 464 C ARG A 34 -2.878 9.112 3.090 1.00 0.48 C ATOM 465 O ARG A 34 -3.941 9.695 2.876 1.00 0.48 O ATOM 466 CB ARG A 34 -0.654 10.244 3.057 1.00 0.65 C ATOM 467 CG ARG A 34 -0.924 11.651 2.533 1.00 0.89 C ATOM 468 CD ARG A 34 -0.505 12.707 3.550 1.00 1.22 C ATOM 469 NE ARG A 34 0.832 13.204 3.240 1.00 1.69 N ATOM 470 CZ ARG A 34 1.110 14.503 3.237 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.324 15.140 4.380 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.176 15.167 2.091 1.00 2.78 N ATOM 0 H ARG A 34 -0.284 8.650 4.885 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.224 10.610 4.473 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.278 10.236 3.621 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.525 9.559 2.219 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.382 11.805 1.600 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.985 11.761 2.307 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -1.218 13.532 3.543 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.519 12.282 4.553 1.00 1.22 H new ATOM 0 HE ARG A 34 1.572 12.537 3.020 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.275 14.633 5.263 1.00 2.90 H new ATOM 0 HH12 ARG A 34 1.537 16.137 4.376 1.00 2.90 H new ATOM 0 HH21 ARG A 34 1.013 14.680 1.210 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.390 16.164 2.091 1.00 2.78 H new ATOM 486 N ILE A 35 -2.603 7.906 2.605 1.00 0.45 N ATOM 487 CA ILE A 35 -3.556 7.181 1.772 1.00 0.40 C ATOM 488 C ILE A 35 -4.647 6.560 2.638 1.00 0.34 C ATOM 489 O ILE A 35 -5.834 6.692 2.345 1.00 0.34 O ATOM 490 CB ILE A 35 -2.836 6.096 0.976 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.756 6.714 0.090 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.826 5.306 0.128 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.441 6.871 0.848 1.00 1.29 C ATOM 0 H ILE A 35 -1.728 7.410 2.774 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.018 7.881 1.076 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.362 5.412 1.680 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.600 6.087 -0.788 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.090 7.688 -0.269 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.293 4.537 -0.432 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.566 4.836 0.776 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.328 5.979 -0.567 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.307 7.313 0.190 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.594 7.519 1.711 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.096 5.893 1.184 1.00 1.29 H new ATOM 505 N LYS A 36 -4.239 5.884 3.707 1.00 0.35 N ATOM 506 CA LYS A 36 -5.182 5.242 4.622 1.00 0.36 C ATOM 507 C LYS A 36 -6.302 6.206 4.999 1.00 0.39 C ATOM 508 O LYS A 36 -7.430 5.791 5.263 1.00 0.51 O ATOM 509 CB LYS A 36 -4.452 4.776 5.881 1.00 0.44 C ATOM 510 CG LYS A 36 -5.421 4.168 6.892 1.00 1.09 C ATOM 511 CD LYS A 36 -5.258 4.804 8.270 1.00 1.41 C ATOM 512 CE LYS A 36 -4.562 3.855 9.241 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.362 3.671 10.485 1.00 2.76 N ATOM 0 H LYS A 36 -3.259 5.765 3.963 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.619 4.379 4.120 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.694 4.040 5.613 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.931 5.619 6.335 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.445 4.305 6.545 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.249 3.094 6.962 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.681 5.725 8.182 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.237 5.078 8.664 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.406 2.889 8.760 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -3.577 4.248 9.494 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -4.863 3.021 11.125 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.489 4.590 10.955 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -6.292 3.274 10.244 1.00 2.76 H new ATOM 527 N ASP A 37 -5.983 7.496 5.018 1.00 0.40 N ATOM 528 CA ASP A 37 -6.958 8.523 5.358 1.00 0.45 C ATOM 529 C ASP A 37 -7.514 9.166 4.094 1.00 0.44 C ATOM 530 O ASP A 37 -8.724 9.341 3.954 1.00 0.60 O ATOM 531 CB ASP A 37 -6.306 9.582 6.235 1.00 0.51 C ATOM 532 CG ASP A 37 -7.191 9.895 7.433 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.075 10.768 7.309 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.999 9.266 8.496 1.00 1.56 O ATOM 0 H ASP A 37 -5.053 7.855 4.801 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.780 8.060 5.904 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.332 9.232 6.576 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.134 10.489 5.655 1.00 0.51 H new ATOM 539 N GLN A 38 -6.621 9.516 3.172 1.00 0.41 N ATOM 540 CA GLN A 38 -7.020 10.141 1.915 1.00 0.46 C ATOM 541 C GLN A 38 -7.963 9.225 1.143 1.00 0.42 C ATOM 542 O GLN A 38 -8.984 9.669 0.620 1.00 0.68 O ATOM 543 CB GLN A 38 -5.785 10.448 1.073 1.00 0.54 C ATOM 544 CG GLN A 38 -6.168 11.065 -0.269 1.00 0.65 C ATOM 545 CD GLN A 38 -6.580 12.519 -0.081 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.067 13.210 0.799 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.509 12.985 -0.907 1.00 1.66 N ATOM 0 H GLN A 38 -5.615 9.377 3.272 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.542 11.072 2.136 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.132 11.131 1.617 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.219 9.531 0.906 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.326 11.004 -0.959 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.988 10.502 -0.716 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.907 12.376 -1.622 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.825 13.952 -0.826 1.00 1.66 H new ATOM 556 N TYR A 39 -7.614 7.945 1.076 1.00 0.34 N ATOM 557 CA TYR A 39 -8.429 6.963 0.368 1.00 0.34 C ATOM 558 C TYR A 39 -9.238 6.105 1.342 1.00 0.30 C ATOM 559 O TYR A 39 -9.924 5.173 0.924 1.00 0.32 O ATOM 560 CB TYR A 39 -7.535 6.069 -0.487 1.00 0.39 C ATOM 561 CG TYR A 39 -6.998 6.771 -1.709 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.849 7.537 -1.620 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.654 6.651 -2.923 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.356 8.181 -2.742 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.160 7.296 -4.044 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.013 8.058 -3.948 1.00 0.66 C ATOM 567 OH TYR A 39 -5.523 8.699 -5.063 1.00 0.77 O ATOM 0 H TYR A 39 -6.771 7.562 1.504 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.129 7.502 -0.271 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.700 5.714 0.118 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.100 5.190 -0.798 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.336 7.633 -0.674 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.551 6.054 -2.995 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.459 8.778 -2.673 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.671 7.203 -4.991 1.00 0.73 H new ATOM 0 HH TYR A 39 -6.102 8.509 -5.831 1.00 0.77 H new ATOM 577 N LYS A 40 -9.161 6.415 2.637 1.00 0.28 N ATOM 578 CA LYS A 40 -9.893 5.657 3.649 1.00 0.31 C ATOM 579 C LYS A 40 -9.620 4.165 3.489 1.00 0.29 C ATOM 580 O LYS A 40 -10.519 3.337 3.635 1.00 0.39 O ATOM 581 CB LYS A 40 -11.390 5.935 3.528 1.00 0.38 C ATOM 582 CG LYS A 40 -11.896 6.742 4.720 1.00 0.86 C ATOM 583 CD LYS A 40 -13.338 6.381 5.062 1.00 1.29 C ATOM 584 CE LYS A 40 -14.281 7.546 4.774 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.039 8.681 5.709 1.00 2.56 N ATOM 0 H LYS A 40 -8.601 7.183 3.007 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.555 5.970 4.637 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.589 6.480 2.605 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.934 4.993 3.465 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.258 6.557 5.584 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.829 7.807 4.496 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.645 5.510 4.483 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.407 6.105 6.114 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.144 7.883 3.746 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -15.314 7.211 4.864 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.862 9.317 5.704 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.892 8.313 6.671 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.194 9.206 5.406 1.00 2.56 H new ATOM 599 N VAL A 41 -8.370 3.833 3.187 1.00 0.23 N ATOM 600 CA VAL A 41 -7.962 2.443 3.001 1.00 0.23 C ATOM 601 C VAL A 41 -6.978 2.031 4.090 1.00 0.27 C ATOM 602 O VAL A 41 -6.764 2.767 5.053 1.00 0.33 O ATOM 603 CB VAL A 41 -7.324 2.280 1.624 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.378 2.398 0.531 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.226 3.319 1.422 1.00 0.23 C ATOM 0 H VAL A 41 -7.617 4.510 3.065 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.839 1.800 3.069 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.877 1.288 1.564 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.906 2.279 -0.444 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.131 1.622 0.666 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.853 3.378 0.587 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.780 3.190 0.436 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.653 4.319 1.500 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.459 3.191 2.186 1.00 0.23 H new ATOM 615 N SER A 42 -6.382 0.852 3.937 1.00 0.29 N ATOM 616 CA SER A 42 -5.422 0.346 4.910 1.00 0.34 C ATOM 617 C SER A 42 -4.148 -0.114 4.211 1.00 0.30 C ATOM 618 O SER A 42 -3.970 -1.302 3.941 1.00 0.36 O ATOM 619 CB SER A 42 -6.034 -0.812 5.690 1.00 0.43 C ATOM 620 OG SER A 42 -5.567 -0.805 7.032 1.00 0.93 O ATOM 0 H SER A 42 -6.548 0.229 3.147 1.00 0.29 H new ATOM 0 HA SER A 42 -5.170 1.150 5.602 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.121 -0.734 5.676 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.776 -1.757 5.213 1.00 0.43 H new ATOM 0 HG SER A 42 -5.969 -1.552 7.522 1.00 0.93 H new ATOM 626 N VAL A 43 -3.262 0.834 3.922 1.00 0.33 N ATOM 627 CA VAL A 43 -2.000 0.527 3.257 1.00 0.34 C ATOM 628 C VAL A 43 -0.916 0.261 4.294 1.00 0.35 C ATOM 629 O VAL A 43 -0.688 1.074 5.189 1.00 0.55 O ATOM 630 CB VAL A 43 -1.592 1.684 2.342 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.576 3.003 3.109 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.227 1.419 1.711 1.00 0.54 C ATOM 0 H VAL A 43 -3.395 1.822 4.138 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.128 -0.368 2.648 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.332 1.760 1.545 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.283 3.811 2.438 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.571 3.205 3.507 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.863 2.937 3.931 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.043 2.254 1.065 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.522 1.310 2.496 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.270 0.503 1.122 1.00 0.54 H new ATOM 642 N ARG A 44 -0.254 -0.885 4.174 1.00 0.31 N ATOM 643 CA ARG A 44 0.802 -1.255 5.110 1.00 0.42 C ATOM 644 C ARG A 44 2.037 -1.742 4.363 1.00 0.40 C ATOM 645 O ARG A 44 1.940 -2.543 3.433 1.00 0.41 O ATOM 646 CB ARG A 44 0.303 -2.347 6.052 1.00 0.52 C ATOM 647 CG ARG A 44 -0.632 -1.775 7.113 1.00 0.78 C ATOM 648 CD ARG A 44 -1.926 -2.577 7.200 1.00 1.05 C ATOM 649 NE ARG A 44 -1.644 -3.950 7.611 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.861 -4.364 8.854 1.00 1.74 C ATOM 651 NH1 ARG A 44 -0.943 -4.166 9.791 1.00 2.27 N ATOM 652 NH2 ARG A 44 -2.994 -4.981 9.162 1.00 2.28 N ATOM 0 H ARG A 44 -0.429 -1.572 3.440 1.00 0.31 H new ATOM 0 HA ARG A 44 1.073 -0.373 5.691 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.218 -3.114 5.480 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.152 -2.831 6.534 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.133 -1.780 8.082 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.861 -0.736 6.877 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.605 -2.109 7.913 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.429 -2.576 6.233 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.271 -4.607 6.926 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -0.069 -3.695 9.557 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -1.111 -4.485 10.745 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -3.701 -5.138 8.443 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -3.159 -5.298 10.117 1.00 2.28 H new ATOM 666 N ILE A 45 3.201 -1.252 4.781 1.00 0.46 N ATOM 667 CA ILE A 45 4.465 -1.633 4.162 1.00 0.47 C ATOM 668 C ILE A 45 5.128 -2.745 4.982 1.00 0.53 C ATOM 669 O ILE A 45 5.563 -2.514 6.110 1.00 0.64 O ATOM 670 CB ILE A 45 5.379 -0.397 4.065 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.938 0.494 2.901 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.856 -0.778 3.905 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.273 -0.136 1.549 1.00 0.56 C ATOM 0 H ILE A 45 3.294 -0.587 5.549 1.00 0.46 H new ATOM 0 HA ILE A 45 4.286 -2.012 3.156 1.00 0.47 H new ATOM 0 HB ILE A 45 5.284 0.151 5.002 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.864 0.671 2.964 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.426 1.465 2.981 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.460 0.127 3.841 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.175 -1.367 4.765 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.984 -1.365 2.995 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.945 0.526 0.748 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.350 -0.288 1.475 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.764 -1.095 1.459 1.00 0.56 H new ATOM 685 N PRO A 46 5.225 -3.964 4.422 1.00 0.48 N ATOM 686 CA PRO A 46 5.853 -5.097 5.112 1.00 0.58 C ATOM 687 C PRO A 46 7.376 -4.981 5.085 1.00 0.61 C ATOM 688 O PRO A 46 7.974 -4.851 4.017 1.00 0.56 O ATOM 689 CB PRO A 46 5.381 -6.313 4.327 1.00 0.57 C ATOM 690 CG PRO A 46 5.056 -5.810 2.958 1.00 0.47 C ATOM 691 CD PRO A 46 4.753 -4.334 3.077 1.00 0.41 C ATOM 0 HA PRO A 46 5.581 -5.149 6.166 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.155 -7.079 4.289 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.507 -6.766 4.795 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.893 -5.976 2.280 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.200 -6.345 2.546 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.267 -3.761 2.305 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.687 -4.138 2.963 1.00 0.41 H new ATOM 699 N PRO A 47 8.026 -5.008 6.262 1.00 0.74 N ATOM 700 CA PRO A 47 9.484 -4.885 6.358 1.00 0.81 C ATOM 701 C PRO A 47 10.206 -6.202 6.105 1.00 0.87 C ATOM 702 O PRO A 47 9.606 -7.177 5.653 1.00 1.53 O ATOM 703 CB PRO A 47 9.712 -4.410 7.786 1.00 0.98 C ATOM 704 CG PRO A 47 8.523 -4.870 8.568 1.00 1.03 C ATOM 705 CD PRO A 47 7.403 -5.143 7.588 1.00 0.85 C ATOM 0 HA PRO A 47 9.880 -4.205 5.603 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.633 -4.828 8.194 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.809 -3.325 7.826 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.763 -5.770 9.134 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.223 -4.110 9.289 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.987 -6.140 7.730 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.584 -4.435 7.715 1.00 0.85 H new ATOM 713 N ASP A 48 11.505 -6.215 6.400 1.00 1.32 N ATOM 714 CA ASP A 48 12.344 -7.400 6.213 1.00 1.46 C ATOM 715 C ASP A 48 12.046 -8.085 4.883 1.00 1.48 C ATOM 716 O ASP A 48 11.149 -8.923 4.789 1.00 2.18 O ATOM 717 CB ASP A 48 12.149 -8.385 7.367 1.00 2.16 C ATOM 718 CG ASP A 48 10.668 -8.641 7.615 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.026 -7.811 8.292 1.00 3.01 O ATOM 720 OD2 ASP A 48 10.153 -9.671 7.132 1.00 3.03 O ATOM 0 H ASP A 48 12.005 -5.408 6.774 1.00 1.32 H new ATOM 0 HA ASP A 48 13.383 -7.071 6.201 1.00 1.46 H new ATOM 0 HB2 ASP A 48 12.652 -9.325 7.138 1.00 2.16 H new ATOM 0 HB3 ASP A 48 12.611 -7.989 8.271 1.00 2.16 H new ATOM 725 N SER A 49 12.818 -7.729 3.861 1.00 1.59 N ATOM 726 CA SER A 49 12.659 -8.311 2.531 1.00 2.11 C ATOM 727 C SER A 49 13.964 -8.973 2.109 1.00 1.90 C ATOM 728 O SER A 49 15.026 -8.655 2.643 1.00 2.33 O ATOM 729 CB SER A 49 12.266 -7.232 1.526 1.00 3.03 C ATOM 730 OG SER A 49 12.812 -5.978 1.900 1.00 3.81 O ATOM 0 H SER A 49 13.564 -7.037 3.929 1.00 1.59 H new ATOM 0 HA SER A 49 11.868 -9.060 2.559 1.00 2.11 H new ATOM 0 HB2 SER A 49 12.620 -7.507 0.532 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.180 -7.159 1.469 1.00 3.03 H new ATOM 0 HG SER A 49 12.551 -5.299 1.243 1.00 3.81 H new ATOM 736 N GLU A 50 13.888 -9.902 1.161 1.00 1.92 N ATOM 737 CA GLU A 50 15.086 -10.605 0.698 1.00 2.27 C ATOM 738 C GLU A 50 15.124 -10.671 -0.822 1.00 2.09 C ATOM 739 O GLU A 50 15.948 -10.016 -1.461 1.00 2.74 O ATOM 740 CB GLU A 50 15.147 -12.030 1.270 1.00 3.06 C ATOM 741 CG GLU A 50 14.309 -12.191 2.540 1.00 3.83 C ATOM 742 CD GLU A 50 12.833 -12.311 2.183 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.524 -12.855 1.102 1.00 4.97 O ATOM 744 OE2 GLU A 50 11.987 -11.861 2.985 1.00 4.75 O ATOM 0 H GLU A 50 13.022 -10.185 0.701 1.00 1.92 H new ATOM 0 HA GLU A 50 15.950 -10.043 1.054 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.797 -12.735 0.516 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.184 -12.286 1.488 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.632 -13.076 3.088 1.00 3.83 H new ATOM 0 HG3 GLU A 50 14.463 -11.336 3.198 1.00 3.83 H new ATOM 751 N LYS A 51 14.242 -11.480 -1.395 1.00 1.76 N ATOM 752 CA LYS A 51 14.185 -11.651 -2.841 1.00 1.77 C ATOM 753 C LYS A 51 13.283 -10.604 -3.476 1.00 1.55 C ATOM 754 O LYS A 51 13.760 -9.668 -4.117 1.00 2.20 O ATOM 755 CB LYS A 51 13.678 -13.051 -3.171 1.00 2.14 C ATOM 756 CG LYS A 51 14.656 -14.120 -2.688 1.00 2.60 C ATOM 757 CD LYS A 51 16.064 -13.858 -3.218 1.00 3.36 C ATOM 758 CE LYS A 51 16.063 -13.731 -4.738 1.00 4.12 C ATOM 759 NZ LYS A 51 15.467 -14.938 -5.378 1.00 4.81 N ATOM 0 H LYS A 51 13.555 -12.029 -0.879 1.00 1.76 H new ATOM 0 HA LYS A 51 15.189 -11.524 -3.247 1.00 1.77 H new ATOM 0 HB2 LYS A 51 12.705 -13.207 -2.705 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.535 -13.145 -4.248 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.672 -14.137 -1.598 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.317 -15.102 -3.017 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.459 -12.944 -2.774 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.726 -14.670 -2.918 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.500 -12.845 -5.031 1.00 4.12 H new ATOM 0 HE3 LYS A 51 17.084 -13.593 -5.095 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 15.645 -14.912 -6.402 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 15.898 -15.794 -4.973 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.441 -14.952 -5.206 1.00 4.81 H new ATOM 773 N SER A 52 11.978 -10.771 -3.303 1.00 1.19 N ATOM 774 CA SER A 52 11.011 -9.839 -3.869 1.00 1.04 C ATOM 775 C SER A 52 10.218 -9.151 -2.766 1.00 0.92 C ATOM 776 O SER A 52 10.185 -9.615 -1.626 1.00 1.19 O ATOM 777 CB SER A 52 10.063 -10.580 -4.806 1.00 1.25 C ATOM 778 OG SER A 52 8.990 -11.156 -4.077 1.00 2.03 O ATOM 0 H SER A 52 11.565 -11.541 -2.777 1.00 1.19 H new ATOM 0 HA SER A 52 11.552 -9.078 -4.432 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.673 -9.892 -5.556 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.606 -11.359 -5.341 1.00 1.25 H new ATOM 0 HG SER A 52 8.391 -11.626 -4.694 1.00 2.03 H new ATOM 784 N ASN A 53 9.579 -8.041 -3.118 1.00 0.68 N ATOM 785 CA ASN A 53 8.778 -7.275 -2.170 1.00 0.61 C ATOM 786 C ASN A 53 7.304 -7.352 -2.547 1.00 0.59 C ATOM 787 O ASN A 53 6.960 -7.698 -3.676 1.00 0.99 O ATOM 788 CB ASN A 53 9.235 -5.818 -2.160 1.00 0.60 C ATOM 789 CG ASN A 53 9.882 -5.472 -0.826 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.672 -6.156 0.175 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.672 -4.404 -0.811 1.00 1.28 N ATOM 0 H ASN A 53 9.601 -7.649 -4.060 1.00 0.68 H new ATOM 0 HA ASN A 53 8.911 -7.698 -1.174 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.944 -5.647 -2.970 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.383 -5.162 -2.339 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.133 -4.122 0.054 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.818 -3.866 -1.665 1.00 1.28 H new ATOM 798 N LEU A 54 6.437 -7.026 -1.595 1.00 0.55 N ATOM 799 CA LEU A 54 4.996 -7.057 -1.825 1.00 0.51 C ATOM 800 C LEU A 54 4.273 -6.313 -0.712 1.00 0.44 C ATOM 801 O LEU A 54 4.252 -6.764 0.433 1.00 0.57 O ATOM 802 CB LEU A 54 4.509 -8.504 -1.885 1.00 0.65 C ATOM 803 CG LEU A 54 4.018 -8.868 -3.284 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.073 -9.682 -4.026 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.706 -9.643 -3.204 1.00 1.49 C ATOM 0 H LEU A 54 6.707 -6.737 -0.655 1.00 0.55 H new ATOM 0 HA LEU A 54 4.780 -6.569 -2.775 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.318 -9.174 -1.596 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.703 -8.649 -1.166 1.00 0.65 H new ATOM 0 HG LEU A 54 3.842 -7.946 -3.838 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.706 -9.933 -5.021 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.989 -9.097 -4.114 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.280 -10.599 -3.474 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.370 -9.895 -4.210 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.859 -10.559 -2.633 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.951 -9.030 -2.712 1.00 1.49 H new ATOM 817 N ILE A 55 3.680 -5.172 -1.048 1.00 0.31 N ATOM 818 CA ILE A 55 2.959 -4.374 -0.061 1.00 0.26 C ATOM 819 C ILE A 55 1.536 -4.890 0.096 1.00 0.27 C ATOM 820 O ILE A 55 0.951 -5.421 -0.847 1.00 0.34 O ATOM 821 CB ILE A 55 2.931 -2.907 -0.477 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.322 -2.439 -0.898 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.398 -2.042 0.661 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.292 -0.996 -1.396 1.00 0.35 C ATOM 0 H ILE A 55 3.684 -4.780 -1.990 1.00 0.31 H new ATOM 0 HA ILE A 55 3.478 -4.460 0.894 1.00 0.26 H new ATOM 0 HB ILE A 55 2.263 -2.805 -1.332 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.007 -2.521 -0.054 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.705 -3.090 -1.684 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.384 -0.998 0.349 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.386 -2.358 0.915 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.042 -2.151 1.533 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.297 -0.691 -1.689 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.626 -0.921 -2.255 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.932 -0.344 -0.600 1.00 0.35 H new ATOM 836 N ARG A 56 0.984 -4.732 1.294 1.00 0.29 N ATOM 837 CA ARG A 56 -0.374 -5.185 1.576 1.00 0.32 C ATOM 838 C ARG A 56 -1.337 -4.005 1.609 1.00 0.29 C ATOM 839 O ARG A 56 -1.178 -3.080 2.405 1.00 0.42 O ATOM 840 CB ARG A 56 -0.413 -5.924 2.910 1.00 0.42 C ATOM 841 CG ARG A 56 0.099 -7.354 2.768 1.00 0.55 C ATOM 842 CD ARG A 56 1.097 -7.695 3.873 1.00 0.84 C ATOM 843 NE ARG A 56 1.597 -9.055 3.706 1.00 1.44 N ATOM 844 CZ ARG A 56 1.913 -9.816 4.750 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.923 -9.477 5.540 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.221 -10.918 5.004 1.00 2.33 N ATOM 0 H ARG A 56 1.455 -4.294 2.085 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.683 -5.864 0.781 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.193 -5.390 3.642 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.434 -5.937 3.291 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.740 -8.049 2.805 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.573 -7.478 1.795 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.928 -6.990 3.851 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.619 -7.594 4.847 1.00 0.84 H new ATOM 0 HE ARG A 56 1.707 -9.432 2.765 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.459 -8.631 5.348 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.163 -10.062 6.340 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.445 -11.184 4.398 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.465 -11.500 5.805 1.00 2.33 H new ATOM 860 N ILE A 57 -2.340 -4.050 0.739 1.00 0.24 N ATOM 861 CA ILE A 57 -3.343 -2.992 0.660 1.00 0.24 C ATOM 862 C ILE A 57 -4.736 -3.584 0.825 1.00 0.26 C ATOM 863 O ILE A 57 -5.093 -4.542 0.143 1.00 0.40 O ATOM 864 CB ILE A 57 -3.239 -2.278 -0.682 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.780 -1.954 -0.999 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.085 -1.007 -0.684 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.213 -0.936 -0.015 1.00 1.32 C ATOM 0 H ILE A 57 -2.481 -4.811 0.075 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.165 -2.274 1.460 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.622 -2.942 -1.457 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.186 -2.867 -0.963 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.704 -1.564 -2.014 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.997 -0.513 -1.651 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.128 -1.264 -0.502 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.735 -0.336 0.100 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.173 -0.726 -0.267 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.793 -0.015 -0.070 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.267 -1.339 0.997 1.00 1.32 H new ATOM 879 N GLU A 58 -5.520 -3.018 1.734 1.00 0.23 N ATOM 880 CA GLU A 58 -6.873 -3.506 1.982 1.00 0.25 C ATOM 881 C GLU A 58 -7.764 -2.376 2.473 1.00 0.24 C ATOM 882 O GLU A 58 -7.363 -1.571 3.313 1.00 0.26 O ATOM 883 CB GLU A 58 -6.832 -4.634 3.014 1.00 0.32 C ATOM 884 CG GLU A 58 -8.231 -5.142 3.354 1.00 0.37 C ATOM 885 CD GLU A 58 -8.347 -5.408 4.848 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.603 -4.448 5.604 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.184 -6.575 5.261 1.00 1.47 O ATOM 0 H GLU A 58 -5.244 -2.223 2.311 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.287 -3.889 1.049 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.230 -5.457 2.629 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.344 -4.279 3.921 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.976 -4.407 3.050 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.439 -6.056 2.798 1.00 0.37 H new ATOM 894 N GLY A 59 -8.977 -2.324 1.936 1.00 0.25 N ATOM 895 CA GLY A 59 -9.942 -1.297 2.304 1.00 0.27 C ATOM 896 C GLY A 59 -11.357 -1.827 2.144 1.00 0.39 C ATOM 897 O GLY A 59 -11.680 -2.916 2.624 1.00 0.59 O ATOM 0 H GLY A 59 -9.317 -2.987 1.239 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.777 -0.985 3.335 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.803 -0.416 1.678 1.00 0.27 H new ATOM 901 N ASP A 60 -12.200 -1.067 1.456 1.00 0.53 N ATOM 902 CA ASP A 60 -13.577 -1.488 1.236 1.00 0.70 C ATOM 903 C ASP A 60 -14.118 -0.949 -0.082 1.00 0.59 C ATOM 904 O ASP A 60 -14.388 -1.721 -1.003 1.00 1.04 O ATOM 905 CB ASP A 60 -14.463 -1.039 2.394 1.00 1.22 C ATOM 906 CG ASP A 60 -14.919 -2.242 3.209 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.160 -2.680 4.099 1.00 2.66 O ATOM 908 OD2 ASP A 60 -16.035 -2.743 2.957 1.00 2.31 O ATOM 0 H ASP A 60 -11.958 -0.166 1.045 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.588 -2.577 1.184 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.915 -0.346 3.032 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.330 -0.502 2.010 1.00 1.22 H new ATOM 913 N PRO A 61 -14.295 0.378 -0.202 1.00 0.72 N ATOM 914 CA PRO A 61 -14.817 0.981 -1.435 1.00 1.14 C ATOM 915 C PRO A 61 -13.765 1.012 -2.533 1.00 0.88 C ATOM 916 O PRO A 61 -12.680 0.454 -2.380 1.00 1.22 O ATOM 917 CB PRO A 61 -15.203 2.391 -1.018 1.00 1.82 C ATOM 918 CG PRO A 61 -14.346 2.706 0.163 1.00 1.82 C ATOM 919 CD PRO A 61 -14.010 1.395 0.830 1.00 1.17 C ATOM 0 HA PRO A 61 -15.652 0.415 -1.848 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.032 3.100 -1.828 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.261 2.449 -0.762 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.438 3.224 -0.147 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.870 3.366 0.854 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.966 1.363 1.142 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.615 1.236 1.723 1.00 1.17 H new ATOM 927 N GLN A 62 -14.084 1.677 -3.637 1.00 0.64 N ATOM 928 CA GLN A 62 -13.151 1.786 -4.751 1.00 0.47 C ATOM 929 C GLN A 62 -11.806 2.318 -4.260 1.00 0.41 C ATOM 930 O GLN A 62 -10.773 2.100 -4.891 1.00 0.47 O ATOM 931 CB GLN A 62 -13.717 2.718 -5.819 1.00 0.69 C ATOM 932 CG GLN A 62 -15.063 2.217 -6.336 1.00 0.85 C ATOM 933 CD GLN A 62 -15.550 3.097 -7.481 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.256 4.291 -7.529 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.298 2.505 -8.405 1.00 1.73 N ATOM 0 H GLN A 62 -14.977 2.147 -3.784 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.005 0.796 -5.183 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.834 3.720 -5.406 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.013 2.795 -6.647 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.969 1.186 -6.676 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.795 2.221 -5.528 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.517 1.512 -8.325 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.654 3.043 -9.195 1.00 1.73 H new ATOM 944 N GLY A 63 -11.831 3.025 -3.133 1.00 0.37 N ATOM 945 CA GLY A 63 -10.625 3.602 -2.551 1.00 0.34 C ATOM 946 C GLY A 63 -9.482 2.594 -2.478 1.00 0.27 C ATOM 947 O GLY A 63 -8.347 2.917 -2.829 1.00 0.29 O ATOM 0 H GLY A 63 -12.681 3.212 -2.602 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.312 4.461 -3.144 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.847 3.970 -1.549 1.00 0.34 H new ATOM 951 N VAL A 64 -9.765 1.381 -2.005 1.00 0.24 N ATOM 952 CA VAL A 64 -8.721 0.365 -1.879 1.00 0.21 C ATOM 953 C VAL A 64 -8.102 0.038 -3.237 1.00 0.24 C ATOM 954 O VAL A 64 -6.884 -0.099 -3.351 1.00 0.28 O ATOM 955 CB VAL A 64 -9.253 -0.907 -1.197 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.047 -1.791 -2.156 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.084 -1.694 -0.614 1.00 0.26 C ATOM 0 H VAL A 64 -10.693 1.081 -1.707 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.938 0.779 -1.243 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.935 -0.599 -0.404 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.401 -2.676 -1.627 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.900 -1.234 -2.542 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.407 -2.095 -2.984 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.458 -2.596 -0.130 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.396 -1.970 -1.413 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.561 -1.079 0.119 1.00 0.26 H new ATOM 967 N GLN A 65 -8.937 -0.090 -4.264 1.00 0.25 N ATOM 968 CA GLN A 65 -8.447 -0.405 -5.603 1.00 0.30 C ATOM 969 C GLN A 65 -7.807 0.822 -6.241 1.00 0.30 C ATOM 970 O GLN A 65 -6.920 0.702 -7.086 1.00 0.34 O ATOM 971 CB GLN A 65 -9.590 -0.915 -6.479 1.00 0.37 C ATOM 972 CG GLN A 65 -10.633 0.169 -6.728 1.00 0.42 C ATOM 973 CD GLN A 65 -11.385 -0.114 -8.022 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.612 -1.270 -8.379 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.771 0.943 -8.728 1.00 0.82 N ATOM 0 H GLN A 65 -9.949 0.018 -4.197 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.692 -1.187 -5.518 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.191 -1.263 -7.432 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.063 -1.772 -5.999 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.333 0.210 -5.893 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.149 1.144 -6.786 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.561 1.884 -8.394 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.277 0.814 -9.604 1.00 0.82 H new ATOM 984 N GLN A 66 -8.259 2.003 -5.831 1.00 0.29 N ATOM 985 CA GLN A 66 -7.727 3.254 -6.361 1.00 0.31 C ATOM 986 C GLN A 66 -6.329 3.500 -5.814 1.00 0.29 C ATOM 987 O GLN A 66 -5.375 3.668 -6.574 1.00 0.36 O ATOM 988 CB GLN A 66 -8.645 4.414 -5.988 1.00 0.35 C ATOM 989 CG GLN A 66 -9.966 4.338 -6.749 1.00 0.79 C ATOM 990 CD GLN A 66 -10.139 5.567 -7.633 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.169 6.095 -8.176 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.378 6.023 -7.777 1.00 1.31 N ATOM 0 H GLN A 66 -8.993 2.120 -5.133 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.674 3.181 -7.447 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -8.839 4.398 -4.915 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.149 5.359 -6.208 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.990 3.436 -7.360 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.795 4.268 -6.045 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.152 5.553 -7.308 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.555 6.843 -8.357 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.210 3.511 -4.491 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.923 3.725 -3.843 1.00 0.27 C ATOM 1003 C ALA A 67 -3.952 2.629 -4.258 1.00 0.26 C ATOM 1004 O ALA A 67 -2.756 2.870 -4.418 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.093 3.729 -2.326 1.00 0.29 C ATOM 0 H ALA A 67 -6.989 3.374 -3.847 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.524 4.691 -4.152 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.125 3.890 -1.852 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.775 4.529 -2.038 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.501 2.771 -2.003 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.483 1.423 -4.440 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.675 0.280 -4.847 1.00 0.28 C ATOM 1013 C LYS A 68 -2.983 0.573 -6.173 1.00 0.31 C ATOM 1014 O LYS A 68 -1.755 0.568 -6.258 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.560 -0.958 -4.977 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.770 -2.156 -5.494 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.365 -2.688 -6.795 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.311 -3.402 -7.634 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.929 -4.103 -8.795 1.00 0.88 N ATOM 0 H LYS A 68 -5.473 1.213 -4.311 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.913 0.094 -4.090 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.996 -1.199 -4.007 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.387 -0.746 -5.654 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.732 -1.868 -5.657 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.767 -2.945 -4.742 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.181 -3.375 -6.570 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.791 -1.863 -7.367 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.577 -2.680 -7.991 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.776 -4.122 -7.014 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.188 -4.580 -9.347 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.612 -4.808 -8.451 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.419 -3.411 -9.398 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.779 0.832 -7.207 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.247 1.132 -8.532 1.00 0.43 C ATOM 1035 C ARG A 69 -2.432 2.420 -8.499 1.00 0.42 C ATOM 1036 O ARG A 69 -1.447 2.562 -9.223 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.392 1.268 -9.531 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.034 0.637 -10.874 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.744 1.347 -12.024 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.011 0.686 -12.322 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.385 0.421 -13.570 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.767 -0.527 -14.262 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -7.377 1.103 -14.126 1.00 2.76 N ATOM 0 H ARG A 69 -4.797 0.840 -7.152 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.595 0.315 -8.841 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.286 0.791 -9.130 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.630 2.322 -9.674 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.955 0.684 -11.025 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.310 -0.418 -10.868 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.923 2.390 -11.762 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.108 1.346 -12.909 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.626 0.420 -11.552 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.004 -1.054 -13.837 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -6.055 -0.729 -15.219 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -7.854 1.832 -13.596 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -7.663 0.898 -15.084 1.00 2.76 H new ATOM 1057 N GLU A 70 -2.851 3.359 -7.655 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.163 4.641 -7.527 1.00 0.43 C ATOM 1059 C GLU A 70 -0.724 4.429 -7.074 1.00 0.44 C ATOM 1060 O GLU A 70 0.188 5.125 -7.520 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.898 5.528 -6.525 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.357 6.955 -6.546 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.968 7.736 -7.702 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -2.927 7.236 -8.846 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.486 8.847 -7.462 1.00 1.38 O ATOM 0 H GLU A 70 -3.665 3.256 -7.049 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.154 5.131 -8.501 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.963 5.537 -6.757 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.794 5.112 -5.523 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.585 7.451 -5.603 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.271 6.938 -6.643 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.526 3.463 -6.183 1.00 0.40 N ATOM 1073 CA LEU A 71 0.802 3.155 -5.665 1.00 0.47 C ATOM 1074 C LEU A 71 1.638 2.455 -6.728 1.00 0.52 C ATOM 1075 O LEU A 71 2.788 2.820 -6.967 1.00 0.60 O ATOM 1076 CB LEU A 71 0.680 2.268 -4.430 1.00 0.51 C ATOM 1077 CG LEU A 71 0.097 3.043 -3.251 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.835 2.152 -2.434 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.212 3.602 -2.371 1.00 1.15 C ATOM 0 H LEU A 71 -1.271 2.878 -5.804 1.00 0.40 H new ATOM 0 HA LEU A 71 1.298 4.086 -5.392 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.045 1.411 -4.655 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.661 1.876 -4.162 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.482 3.880 -3.643 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.241 2.721 -1.598 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.651 1.803 -3.066 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.279 1.295 -2.054 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.776 4.151 -1.536 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.819 2.782 -1.988 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.838 4.273 -2.959 1.00 1.15 H new ATOM 1091 N LEU A 72 1.056 1.444 -7.362 1.00 0.52 N ATOM 1092 CA LEU A 72 1.747 0.687 -8.398 1.00 0.63 C ATOM 1093 C LEU A 72 2.170 1.598 -9.547 1.00 0.67 C ATOM 1094 O LEU A 72 3.069 1.259 -10.317 1.00 0.83 O ATOM 1095 CB LEU A 72 0.837 -0.421 -8.916 1.00 0.66 C ATOM 1096 CG LEU A 72 1.648 -1.633 -9.359 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.923 -2.559 -8.177 1.00 1.04 C ATOM 1098 CD2 LEU A 72 0.922 -2.385 -10.471 1.00 1.99 C ATOM 0 H LEU A 72 0.104 1.129 -7.176 1.00 0.52 H new ATOM 0 HA LEU A 72 2.645 0.246 -7.966 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.135 -0.714 -8.135 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.246 -0.049 -9.753 1.00 0.66 H new ATOM 0 HG LEU A 72 2.604 -1.282 -9.747 1.00 0.88 H new ATOM 0 HD11 LEU A 72 2.503 -3.418 -8.515 1.00 1.04 H new ATOM 0 HD12 LEU A 72 2.485 -2.019 -7.415 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.978 -2.902 -7.756 1.00 1.04 H new ATOM 0 HD21 LEU A 72 1.516 -3.247 -10.775 1.00 1.99 H new ATOM 0 HD22 LEU A 72 -0.049 -2.723 -10.108 1.00 1.99 H new ATOM 0 HD23 LEU A 72 0.780 -1.723 -11.325 1.00 1.99 H new ATOM 1110 N GLU A 73 1.522 2.755 -9.664 1.00 0.64 N ATOM 1111 CA GLU A 73 1.842 3.706 -10.725 1.00 0.74 C ATOM 1112 C GLU A 73 2.706 4.841 -10.188 1.00 0.71 C ATOM 1113 O GLU A 73 3.875 4.968 -10.552 1.00 0.88 O ATOM 1114 CB GLU A 73 0.557 4.270 -11.324 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.279 3.171 -11.973 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.721 3.598 -13.367 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.124 4.112 -14.129 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -1.913 3.415 -13.695 1.00 2.01 O ATOM 0 H GLU A 73 0.774 3.056 -9.039 1.00 0.64 H new ATOM 0 HA GLU A 73 2.401 3.183 -11.501 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.026 4.761 -10.545 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.802 5.030 -12.066 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.302 2.251 -12.034 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.152 2.957 -11.357 1.00 1.00 H new ATOM 1125 N LEU A 74 2.124 5.667 -9.323 1.00 0.64 N ATOM 1126 CA LEU A 74 2.841 6.798 -8.739 1.00 0.71 C ATOM 1127 C LEU A 74 3.825 6.322 -7.678 1.00 0.82 C ATOM 1128 O LEU A 74 4.976 6.757 -7.646 1.00 1.13 O ATOM 1129 CB LEU A 74 1.852 7.779 -8.119 1.00 0.85 C ATOM 1130 CG LEU A 74 0.713 8.097 -9.082 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.244 9.110 -8.463 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.263 8.619 -10.406 1.00 1.32 C ATOM 0 H LEU A 74 1.157 5.575 -9.010 1.00 0.64 H new ATOM 0 HA LEU A 74 3.397 7.298 -9.532 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.447 7.358 -7.199 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.370 8.699 -7.848 1.00 0.85 H new ATOM 0 HG LEU A 74 0.160 7.178 -9.277 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.050 9.325 -9.164 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.662 8.701 -7.544 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.296 10.030 -8.238 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.437 8.841 -11.081 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.840 9.527 -10.228 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.906 7.863 -10.856 1.00 1.32 H new ATOM 1144 N ALA A 75 3.364 5.431 -6.808 1.00 0.78 N ATOM 1145 CA ALA A 75 4.202 4.899 -5.739 1.00 0.99 C ATOM 1146 C ALA A 75 4.778 6.036 -4.904 1.00 1.70 C ATOM 1147 O ALA A 75 5.909 5.957 -4.426 1.00 2.16 O ATOM 1148 CB ALA A 75 5.333 4.061 -6.328 1.00 1.14 C ATOM 0 H ALA A 75 2.414 5.061 -6.822 1.00 0.78 H new ATOM 0 HA ALA A 75 3.589 4.267 -5.097 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.953 3.668 -5.522 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.913 3.233 -6.899 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.942 4.682 -6.985 1.00 1.14 H new ATOM 1154 N SER A 76 3.991 7.093 -4.730 1.00 2.17 N ATOM 1155 CA SER A 76 4.420 8.248 -3.949 1.00 3.01 C ATOM 1156 C SER A 76 4.256 7.971 -2.460 1.00 3.57 C ATOM 1157 O SER A 76 3.116 8.068 -1.960 1.00 4.23 O ATOM 1158 CB SER A 76 3.605 9.477 -4.340 1.00 3.63 C ATOM 1159 OG SER A 76 3.890 10.560 -3.465 1.00 4.36 O ATOM 1160 OXT SER A 76 5.267 7.658 -1.797 1.00 3.89 O ATOM 0 H SER A 76 3.052 7.174 -5.120 1.00 2.17 H new ATOM 0 HA SER A 76 5.473 8.437 -4.158 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.834 9.761 -5.367 1.00 3.63 H new ATOM 0 HB3 SER A 76 2.541 9.242 -4.304 1.00 3.63 H new ATOM 0 HG SER A 76 3.361 11.342 -3.729 1.00 4.36 H new TER 1166 SER A 76 END