HEADER HIGH DENSITY LIPOPROTEINS 04-JUN-97 1GW3 TITLE THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN TITLE 2 APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY, 1 TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOA-I; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 142 - 187; COMPND 5 SYNONYM: APOLIPOPROTEIN A-I; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HIGH DENSITY LIPOPROTEINS, KEY IN VIVO COFACTOR FOR THE KEYWDS 2 ENZYME LECITHIN-CHOLESTEROL TRANSFERASE, CHOLESTEROL EFFLUX, KEYWDS 3 RECEPTOR BINDING, AMPHIPATHIC HELICES, HELIX-HINGE-HELIX KEYWDS 4 MOTIF EXPDTA SOLUTION NMR AUTHOR G.WANG,J.T.SPARROW,R.J.CUSHLEY REVDAT 2 24-FEB-09 1GW3 1 VERSN REVDAT 1 23-JUL-97 1GW3 0 JRNL AUTH G.WANG,J.T.SPARROW,R.J.CUSHLEY JRNL TITL THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN JRNL TITL 2 APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 36 13657 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9354635 JRNL DOI 10.1021/BI971151Q REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GW3 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) : 310 REMARK 210 PH : 4.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX 600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 CALCULATIONS USING NOE-DERIVED REMARK 210 DISTANCES REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWER OPTIMIZATION ERROR AND REMARK 210 NO DISTANCE VIOLATION GREATER REMARK 210 THAN 0.5 A) 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 5 CD GLU A 5 OE2 0.110 REMARK 500 GLU A 6 CD GLU A 6 OE2 0.110 REMARK 500 GLU A 28 CD GLU A 28 OE1 0.110 REMARK 500 GLU A 38 CD GLU A 38 OE2 0.110 REMARK 500 GLU A 42 CD GLU A 42 OE2 0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 9 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 16 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 27 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 30 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 32 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 36 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES 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 PRO A 2 166.21 -48.13 REMARK 500 GLU A 5 70.89 -178.22 REMARK 500 GLU A 6 -42.21 -156.10 REMARK 500 ARG A 12 36.56 -95.43 REMARK 500 ALA A 13 -41.82 -133.55 REMARK 500 LEU A 22 51.92 -143.38 REMARK 500 SER A 26 -49.35 -144.75 REMARK 500 LEU A 37 37.37 -94.33 REMARK 500 ALA A 39 -53.38 -162.15 REMARK 500 GLU A 42 80.57 64.12 REMARK 500 REMARK 500 REMARK: NULL DBREF 1GW3 A 1 46 UNP P02647 APOA1_HUMAN 166 211 SEQRES 1 A 46 SER PRO LEU GLY GLU GLU MET ARG ASP ARG ALA ARG ALA SEQRES 2 A 46 HIS VAL ASP ALA LEU ARG THR HIS LEU ALA PRO TYR SER SEQRES 3 A 46 ASP GLU LEU ARG GLN ARG LEU ALA ALA ARG LEU GLU ALA SEQRES 4 A 46 LEU LYS GLU ASN GLY GLY ALA HELIX 1 1 HIS A 14 HIS A 21 1 8 HELIX 2 2 ASP A 27 GLU A 38 1 12 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 ATOM 1 N SER A 1 29.068 -6.703 -8.148 1.00 0.00 N ATOM 2 CA SER A 1 29.505 -5.508 -7.432 1.00 0.00 C ATOM 3 C SER A 1 28.483 -5.090 -6.401 1.00 0.00 C ATOM 4 O SER A 1 27.655 -4.203 -6.624 1.00 0.00 O ATOM 5 CB SER A 1 29.820 -4.357 -8.420 1.00 0.00 C ATOM 6 OG SER A 1 28.991 -4.383 -9.587 1.00 0.00 O ATOM 7 H1 SER A 1 28.044 -6.686 -8.252 1.00 0.00 H ATOM 8 H2 SER A 1 29.507 -6.725 -9.079 1.00 0.00 H ATOM 9 H3 SER A 1 29.345 -7.542 -7.618 1.00 0.00 H ATOM 10 HA SER A 1 30.431 -5.759 -6.882 1.00 0.00 H ATOM 11 HB2 SER A 1 29.680 -3.382 -7.914 1.00 0.00 H ATOM 12 HB3 SER A 1 30.885 -4.371 -8.723 1.00 0.00 H ATOM 13 HG SER A 1 29.012 -3.503 -9.974 1.00 0.00 H ATOM 14 N PRO A 2 28.522 -5.737 -5.251 1.00 0.00 N ATOM 15 CA PRO A 2 27.584 -5.531 -4.064 1.00 0.00 C ATOM 16 C PRO A 2 27.378 -4.088 -3.659 1.00 0.00 C ATOM 17 O PRO A 2 28.099 -3.182 -4.092 1.00 0.00 O ATOM 18 CB PRO A 2 28.215 -6.272 -2.892 1.00 0.00 C ATOM 19 CG PRO A 2 28.890 -7.449 -3.616 1.00 0.00 C ATOM 20 CD PRO A 2 29.484 -6.801 -4.873 1.00 0.00 C ATOM 21 HA PRO A 2 26.609 -5.938 -4.301 1.00 0.00 H ATOM 22 HB2 PRO A 2 29.003 -5.640 -2.444 1.00 0.00 H ATOM 23 HB3 PRO A 2 27.423 -6.656 -2.236 1.00 0.00 H ATOM 24 HG2 PRO A 2 29.816 -7.802 -3.136 1.00 0.00 H ATOM 25 HG3 PRO A 2 28.100 -8.180 -3.825 1.00 0.00 H ATOM 26 HD2 PRO A 2 30.449 -6.336 -4.619 1.00 0.00 H ATOM 27 HD3 PRO A 2 29.549 -7.547 -5.683 1.00 0.00 H ATOM 28 N LEU A 3 26.373 -3.852 -2.837 1.00 0.00 N ATOM 29 CA LEU A 3 26.071 -2.512 -2.341 1.00 0.00 C ATOM 30 C LEU A 3 26.311 -2.418 -0.853 1.00 0.00 C ATOM 31 O LEU A 3 26.860 -3.330 -0.223 1.00 0.00 O ATOM 32 CB LEU A 3 24.607 -2.120 -2.695 1.00 0.00 C ATOM 33 CG LEU A 3 24.213 -2.052 -4.196 1.00 0.00 C ATOM 34 CD1 LEU A 3 22.953 -1.194 -4.371 1.00 0.00 C ATOM 35 CD2 LEU A 3 25.343 -1.502 -5.085 1.00 0.00 C ATOM 36 H LEU A 3 25.767 -4.674 -2.599 1.00 0.00 H ATOM 37 HA LEU A 3 26.770 -1.799 -2.814 1.00 0.00 H ATOM 38 HB2 LEU A 3 23.923 -2.829 -2.187 1.00 0.00 H ATOM 39 HB3 LEU A 3 24.382 -1.138 -2.233 1.00 0.00 H ATOM 40 HG LEU A 3 23.974 -3.081 -4.538 1.00 0.00 H ATOM 41 HD11 LEU A 3 22.103 -1.585 -3.780 1.00 0.00 H ATOM 42 HD12 LEU A 3 23.112 -0.144 -4.059 1.00 0.00 H ATOM 43 HD13 LEU A 3 22.618 -1.172 -5.426 1.00 0.00 H ATOM 44 HD21 LEU A 3 25.687 -0.505 -4.753 1.00 0.00 H ATOM 45 HD22 LEU A 3 26.221 -2.174 -5.075 1.00 0.00 H ATOM 46 HD23 LEU A 3 25.033 -1.418 -6.141 1.00 0.00 H ATOM 47 N GLY A 4 25.916 -1.304 -0.264 1.00 0.00 N ATOM 48 CA GLY A 4 25.972 -1.131 1.184 1.00 0.00 C ATOM 49 C GLY A 4 24.666 -0.591 1.716 1.00 0.00 C ATOM 50 O GLY A 4 23.820 -1.327 2.236 1.00 0.00 O ATOM 51 H GLY A 4 25.603 -0.532 -0.902 1.00 0.00 H ATOM 52 HA2 GLY A 4 26.193 -2.096 1.676 1.00 0.00 H ATOM 53 HA3 GLY A 4 26.789 -0.437 1.455 1.00 0.00 H ATOM 54 N GLU A 5 24.486 0.713 1.608 1.00 0.00 N ATOM 55 CA GLU A 5 23.314 1.379 2.169 1.00 0.00 C ATOM 56 C GLU A 5 23.331 2.861 1.869 1.00 0.00 C ATOM 57 O GLU A 5 23.509 3.708 2.752 1.00 0.00 O ATOM 58 CB GLU A 5 23.284 1.111 3.700 1.00 0.00 C ATOM 59 CG GLU A 5 24.382 1.795 4.580 1.00 0.00 C ATOM 60 CD GLU A 5 25.166 0.930 5.569 1.00 0.00 C ATOM 61 OE1 GLU A 5 24.729 -0.115 6.032 1.00 0.00 O ATOM 62 OE2 GLU A 5 26.393 1.431 5.883 1.00 0.00 O ATOM 63 H GLU A 5 25.226 1.236 1.079 1.00 0.00 H ATOM 64 HA GLU A 5 22.407 0.954 1.701 1.00 0.00 H ATOM 65 HB2 GLU A 5 22.289 1.405 4.093 1.00 0.00 H ATOM 66 HB3 GLU A 5 23.322 0.014 3.868 1.00 0.00 H ATOM 67 HG2 GLU A 5 25.126 2.290 3.929 1.00 0.00 H ATOM 68 HG3 GLU A 5 23.939 2.625 5.164 1.00 0.00 H ATOM 69 N GLU A 6 23.112 3.201 0.612 1.00 0.00 N ATOM 70 CA GLU A 6 23.027 4.596 0.189 1.00 0.00 C ATOM 71 C GLU A 6 22.227 4.729 -1.086 1.00 0.00 C ATOM 72 O GLU A 6 21.417 5.649 -1.253 1.00 0.00 O ATOM 73 CB GLU A 6 24.468 5.149 0.010 1.00 0.00 C ATOM 74 CG GLU A 6 24.688 6.235 -1.094 1.00 0.00 C ATOM 75 CD GLU A 6 26.122 6.567 -1.513 1.00 0.00 C ATOM 76 OE1 GLU A 6 26.848 7.313 -0.869 1.00 0.00 O ATOM 77 OE2 GLU A 6 26.512 5.955 -2.666 1.00 0.00 O ATOM 78 H GLU A 6 22.950 2.412 -0.059 1.00 0.00 H ATOM 79 HA GLU A 6 22.501 5.168 0.976 1.00 0.00 H ATOM 80 HB2 GLU A 6 24.818 5.549 0.982 1.00 0.00 H ATOM 81 HB3 GLU A 6 25.151 4.301 -0.194 1.00 0.00 H ATOM 82 HG2 GLU A 6 24.147 5.944 -2.015 1.00 0.00 H ATOM 83 HG3 GLU A 6 24.215 7.188 -0.791 1.00 0.00 H ATOM 84 N MET A 7 22.457 3.825 -2.020 1.00 0.00 N ATOM 85 CA MET A 7 21.631 3.728 -3.220 1.00 0.00 C ATOM 86 C MET A 7 20.209 3.360 -2.867 1.00 0.00 C ATOM 87 O MET A 7 19.240 3.850 -3.459 1.00 0.00 O ATOM 88 CB MET A 7 22.244 2.692 -4.203 1.00 0.00 C ATOM 89 CG MET A 7 21.587 2.612 -5.598 1.00 0.00 C ATOM 90 SD MET A 7 20.186 1.483 -5.549 1.00 0.00 S ATOM 91 CE MET A 7 20.711 0.350 -6.842 1.00 0.00 C ATOM 92 H MET A 7 23.240 3.153 -1.827 1.00 0.00 H ATOM 93 HA MET A 7 21.599 4.720 -3.708 1.00 0.00 H ATOM 94 HB2 MET A 7 23.318 2.916 -4.350 1.00 0.00 H ATOM 95 HB3 MET A 7 22.226 1.682 -3.744 1.00 0.00 H ATOM 96 HG2 MET A 7 21.239 3.615 -5.912 1.00 0.00 H ATOM 97 HG3 MET A 7 22.304 2.270 -6.367 1.00 0.00 H ATOM 98 HE1 MET A 7 21.763 0.539 -7.119 1.00 0.00 H ATOM 99 HE2 MET A 7 20.622 -0.699 -6.509 1.00 0.00 H ATOM 100 HE3 MET A 7 20.088 0.482 -7.746 1.00 0.00 H ATOM 101 N ARG A 8 20.062 2.461 -1.912 1.00 0.00 N ATOM 102 CA ARG A 8 18.765 1.872 -1.583 1.00 0.00 C ATOM 103 C ARG A 8 18.185 2.418 -0.298 1.00 0.00 C ATOM 104 O ARG A 8 17.008 2.170 0.019 1.00 0.00 O ATOM 105 CB ARG A 8 18.931 0.326 -1.507 1.00 0.00 C ATOM 106 CG ARG A 8 18.255 -0.455 -2.665 1.00 0.00 C ATOM 107 CD ARG A 8 16.810 -0.854 -2.341 1.00 0.00 C ATOM 108 NE ARG A 8 16.111 -1.159 -3.615 1.00 0.00 N ATOM 109 CZ ARG A 8 15.641 -2.347 -3.971 1.00 0.00 C ATOM 110 NH1 ARG A 8 15.735 -3.421 -3.244 1.00 0.00 N ATOM 111 NH2 ARG A 8 15.055 -2.436 -5.112 1.00 0.00 N ATOM 112 H ARG A 8 20.938 2.148 -1.432 1.00 0.00 H ATOM 113 HA ARG A 8 18.066 2.133 -2.399 1.00 0.00 H ATOM 114 HB2 ARG A 8 20.011 0.076 -1.466 1.00 0.00 H ATOM 115 HB3 ARG A 8 18.520 -0.050 -0.549 1.00 0.00 H ATOM 116 HG2 ARG A 8 18.271 0.150 -3.594 1.00 0.00 H ATOM 117 HG3 ARG A 8 18.824 -1.375 -2.910 1.00 0.00 H ATOM 118 HD2 ARG A 8 16.793 -1.737 -1.670 1.00 0.00 H ATOM 119 HD3 ARG A 8 16.294 -0.031 -1.805 1.00 0.00 H ATOM 120 HE ARG A 8 15.979 -0.381 -4.278 1.00 0.00 H ATOM 121 HH11 ARG A 8 16.210 -3.262 -2.355 1.00 0.00 H ATOM 122 HH12 ARG A 8 15.336 -4.276 -3.626 1.00 0.00 H ATOM 123 HH21 ARG A 8 15.033 -1.539 -5.601 1.00 0.00 H ATOM 124 HH22 ARG A 8 14.693 -3.345 -5.392 1.00 0.00 H ATOM 125 N ASP A 9 18.973 3.129 0.485 1.00 0.00 N ATOM 126 CA ASP A 9 18.505 3.703 1.746 1.00 0.00 C ATOM 127 C ASP A 9 17.493 4.800 1.508 1.00 0.00 C ATOM 128 O ASP A 9 16.638 5.088 2.357 1.00 0.00 O ATOM 129 CB ASP A 9 19.705 4.204 2.592 1.00 0.00 C ATOM 130 CG ASP A 9 19.370 4.874 3.932 1.00 0.00 C ATOM 131 OD1 ASP A 9 19.279 3.981 4.963 1.00 0.00 O ATOM 132 OD2 ASP A 9 19.224 6.081 4.055 1.00 0.00 O ATOM 133 H ASP A 9 19.971 3.214 0.178 1.00 0.00 H ATOM 134 HA ASP A 9 17.973 2.894 2.280 1.00 0.00 H ATOM 135 HB2 ASP A 9 20.380 3.351 2.810 1.00 0.00 H ATOM 136 HB3 ASP A 9 20.329 4.910 2.016 1.00 0.00 H ATOM 137 N ARG A 10 17.587 5.456 0.366 1.00 0.00 N ATOM 138 CA ARG A 10 16.580 6.430 -0.047 1.00 0.00 C ATOM 139 C ARG A 10 15.212 5.792 -0.121 1.00 0.00 C ATOM 140 O ARG A 10 14.181 6.425 0.134 1.00 0.00 O ATOM 141 CB ARG A 10 16.998 7.039 -1.414 1.00 0.00 C ATOM 142 CG ARG A 10 18.217 7.997 -1.357 1.00 0.00 C ATOM 143 CD ARG A 10 18.061 9.205 -2.290 1.00 0.00 C ATOM 144 NE ARG A 10 18.339 8.762 -3.679 1.00 0.00 N ATOM 145 CZ ARG A 10 18.778 9.537 -4.662 1.00 0.00 C ATOM 146 NH1 ARG A 10 19.024 10.808 -4.540 1.00 0.00 N ATOM 147 NH2 ARG A 10 18.972 8.988 -5.809 1.00 0.00 N ATOM 148 H ARG A 10 18.440 5.257 -0.210 1.00 0.00 H ATOM 149 HA ARG A 10 16.536 7.228 0.717 1.00 0.00 H ATOM 150 HB2 ARG A 10 17.230 6.226 -2.130 1.00 0.00 H ATOM 151 HB3 ARG A 10 16.130 7.565 -1.863 1.00 0.00 H ATOM 152 HG2 ARG A 10 18.375 8.352 -0.318 1.00 0.00 H ATOM 153 HG3 ARG A 10 19.152 7.467 -1.628 1.00 0.00 H ATOM 154 HD2 ARG A 10 17.036 9.622 -2.214 1.00 0.00 H ATOM 155 HD3 ARG A 10 18.761 10.013 -1.995 1.00 0.00 H ATOM 156 HE ARG A 10 18.177 7.768 -3.899 1.00 0.00 H ATOM 157 HH11 ARG A 10 18.847 11.161 -3.599 1.00 0.00 H ATOM 158 HH12 ARG A 10 19.359 11.297 -5.367 1.00 0.00 H ATOM 159 HH21 ARG A 10 18.750 7.991 -5.798 1.00 0.00 H ATOM 160 HH22 ARG A 10 19.310 9.577 -6.567 1.00 0.00 H ATOM 161 N ALA A 11 15.185 4.512 -0.445 1.00 0.00 N ATOM 162 CA ALA A 11 13.959 3.720 -0.393 1.00 0.00 C ATOM 163 C ALA A 11 13.615 3.338 1.027 1.00 0.00 C ATOM 164 O ALA A 11 12.445 3.145 1.383 1.00 0.00 O ATOM 165 CB ALA A 11 14.157 2.497 -1.306 1.00 0.00 C ATOM 166 H ALA A 11 16.090 4.108 -0.791 1.00 0.00 H ATOM 167 HA ALA A 11 13.125 4.337 -0.777 1.00 0.00 H ATOM 168 HB1 ALA A 11 14.367 2.794 -2.351 1.00 0.00 H ATOM 169 HB2 ALA A 11 15.001 1.861 -0.974 1.00 0.00 H ATOM 170 HB3 ALA A 11 13.257 1.855 -1.334 1.00 0.00 H ATOM 171 N ARG A 12 14.627 3.207 1.864 1.00 0.00 N ATOM 172 CA ARG A 12 14.433 2.926 3.285 1.00 0.00 C ATOM 173 C ARG A 12 14.450 4.196 4.102 1.00 0.00 C ATOM 174 O ARG A 12 14.951 4.233 5.235 1.00 0.00 O ATOM 175 CB ARG A 12 15.534 1.937 3.760 1.00 0.00 C ATOM 176 CG ARG A 12 15.700 0.669 2.881 1.00 0.00 C ATOM 177 CD ARG A 12 14.357 0.091 2.418 1.00 0.00 C ATOM 178 NE ARG A 12 14.605 -1.245 1.817 1.00 0.00 N ATOM 179 CZ ARG A 12 13.746 -1.925 1.070 1.00 0.00 C ATOM 180 NH1 ARG A 12 12.553 -1.510 0.762 1.00 0.00 N ATOM 181 NH2 ARG A 12 14.125 -3.070 0.623 1.00 0.00 N ATOM 182 H ARG A 12 15.585 3.261 1.445 1.00 0.00 H ATOM 183 HA ARG A 12 13.438 2.460 3.404 1.00 0.00 H ATOM 184 HB2 ARG A 12 16.511 2.458 3.802 1.00 0.00 H ATOM 185 HB3 ARG A 12 15.333 1.639 4.810 1.00 0.00 H ATOM 186 HG2 ARG A 12 16.328 0.897 1.996 1.00 0.00 H ATOM 187 HG3 ARG A 12 16.250 -0.124 3.427 1.00 0.00 H ATOM 188 HD2 ARG A 12 13.657 0.006 3.274 1.00 0.00 H ATOM 189 HD3 ARG A 12 13.882 0.765 1.676 1.00 0.00 H ATOM 190 HE ARG A 12 15.522 -1.679 1.996 1.00 0.00 H ATOM 191 HH11 ARG A 12 12.334 -0.593 1.154 1.00 0.00 H ATOM 192 HH12 ARG A 12 11.984 -2.122 0.180 1.00 0.00 H ATOM 193 HH21 ARG A 12 15.074 -3.301 0.922 1.00 0.00 H ATOM 194 HH22 ARG A 12 13.470 -3.598 0.051 1.00 0.00 H ATOM 195 N ALA A 13 13.901 5.262 3.551 1.00 0.00 N ATOM 196 CA ALA A 13 13.794 6.535 4.260 1.00 0.00 C ATOM 197 C ALA A 13 12.410 7.125 4.116 1.00 0.00 C ATOM 198 O ALA A 13 11.825 7.649 5.073 1.00 0.00 O ATOM 199 CB ALA A 13 14.895 7.465 3.721 1.00 0.00 C ATOM 200 H ALA A 13 13.500 5.134 2.592 1.00 0.00 H ATOM 201 HA ALA A 13 13.959 6.347 5.337 1.00 0.00 H ATOM 202 HB1 ALA A 13 15.905 7.036 3.872 1.00 0.00 H ATOM 203 HB2 ALA A 13 14.784 7.656 2.636 1.00 0.00 H ATOM 204 HB3 ALA A 13 14.889 8.447 4.228 1.00 0.00 H ATOM 205 N HIS A 14 11.859 7.046 2.919 1.00 0.00 N ATOM 206 CA HIS A 14 10.494 7.502 2.666 1.00 0.00 C ATOM 207 C HIS A 14 9.466 6.412 2.862 1.00 0.00 C ATOM 208 O HIS A 14 8.250 6.665 2.770 1.00 0.00 O ATOM 209 CB HIS A 14 10.474 7.986 1.203 1.00 0.00 C ATOM 210 CG HIS A 14 10.252 6.871 0.222 1.00 0.00 C ATOM 211 ND1 HIS A 14 9.528 6.960 -0.964 1.00 0.00 N ATOM 212 CD2 HIS A 14 10.765 5.596 0.411 1.00 0.00 C ATOM 213 CE1 HIS A 14 9.660 5.696 -1.409 1.00 0.00 C ATOM 214 NE2 HIS A 14 10.381 4.823 -0.654 1.00 0.00 N ATOM 215 H HIS A 14 12.467 6.666 2.155 1.00 0.00 H ATOM 216 HA HIS A 14 10.265 8.281 3.415 1.00 0.00 H ATOM 217 HB2 HIS A 14 9.678 8.741 1.030 1.00 0.00 H ATOM 218 HB3 HIS A 14 11.423 8.492 0.936 1.00 0.00 H ATOM 219 HD1 HIS A 14 9.034 7.762 -1.382 1.00 0.00 H ATOM 220 HD2 HIS A 14 11.363 5.296 1.266 1.00 0.00 H ATOM 221 HE1 HIS A 14 9.185 5.443 -2.348 1.00 0.00 H ATOM 222 HE2 HIS A 14 10.588 3.829 -0.830 1.00 0.00 H ATOM 223 N VAL A 15 9.893 5.193 3.128 1.00 0.00 N ATOM 224 CA VAL A 15 8.977 4.085 3.388 1.00 0.00 C ATOM 225 C VAL A 15 8.578 4.041 4.844 1.00 0.00 C ATOM 226 O VAL A 15 7.459 3.655 5.202 1.00 0.00 O ATOM 227 CB VAL A 15 9.647 2.723 2.947 1.00 0.00 C ATOM 228 CG1 VAL A 15 9.096 1.433 3.616 1.00 0.00 C ATOM 229 CG2 VAL A 15 9.581 2.455 1.424 1.00 0.00 C ATOM 230 H VAL A 15 10.931 5.050 3.094 1.00 0.00 H ATOM 231 HA VAL A 15 8.051 4.242 2.805 1.00 0.00 H ATOM 232 HB VAL A 15 10.723 2.784 3.221 1.00 0.00 H ATOM 233 HG11 VAL A 15 8.017 1.285 3.423 1.00 0.00 H ATOM 234 HG12 VAL A 15 9.620 0.523 3.267 1.00 0.00 H ATOM 235 HG13 VAL A 15 9.232 1.436 4.714 1.00 0.00 H ATOM 236 HG21 VAL A 15 10.014 3.287 0.841 1.00 0.00 H ATOM 237 HG22 VAL A 15 10.154 1.551 1.140 1.00 0.00 H ATOM 238 HG23 VAL A 15 8.544 2.312 1.068 1.00 0.00 H ATOM 239 N ASP A 16 9.491 4.436 5.712 1.00 0.00 N ATOM 240 CA ASP A 16 9.230 4.468 7.149 1.00 0.00 C ATOM 241 C ASP A 16 8.236 5.553 7.494 1.00 0.00 C ATOM 242 O ASP A 16 7.444 5.435 8.436 1.00 0.00 O ATOM 243 CB ASP A 16 10.558 4.631 7.934 1.00 0.00 C ATOM 244 CG ASP A 16 11.139 3.363 8.577 1.00 0.00 C ATOM 245 OD1 ASP A 16 10.561 3.067 9.780 1.00 0.00 O ATOM 246 OD2 ASP A 16 12.023 2.698 8.058 1.00 0.00 O ATOM 247 H ASP A 16 10.426 4.693 5.313 1.00 0.00 H ATOM 248 HA ASP A 16 8.752 3.505 7.406 1.00 0.00 H ATOM 249 HB2 ASP A 16 11.346 5.067 7.295 1.00 0.00 H ATOM 250 HB3 ASP A 16 10.415 5.374 8.744 1.00 0.00 H ATOM 251 N ALA A 17 8.266 6.633 6.736 1.00 0.00 N ATOM 252 CA ALA A 17 7.290 7.708 6.882 1.00 0.00 C ATOM 253 C ALA A 17 5.982 7.347 6.217 1.00 0.00 C ATOM 254 O ALA A 17 4.900 7.784 6.628 1.00 0.00 O ATOM 255 CB ALA A 17 7.917 8.989 6.305 1.00 0.00 C ATOM 256 H ALA A 17 9.053 6.689 6.045 1.00 0.00 H ATOM 257 HA ALA A 17 7.081 7.853 7.958 1.00 0.00 H ATOM 258 HB1 ALA A 17 8.854 9.260 6.829 1.00 0.00 H ATOM 259 HB2 ALA A 17 8.166 8.884 5.231 1.00 0.00 H ATOM 260 HB3 ALA A 17 7.240 9.858 6.398 1.00 0.00 H ATOM 261 N LEU A 18 6.061 6.563 5.157 1.00 0.00 N ATOM 262 CA LEU A 18 4.873 6.012 4.511 1.00 0.00 C ATOM 263 C LEU A 18 3.976 5.329 5.517 1.00 0.00 C ATOM 264 O LEU A 18 2.754 5.518 5.532 1.00 0.00 O ATOM 265 CB LEU A 18 5.273 5.031 3.370 1.00 0.00 C ATOM 266 CG LEU A 18 4.324 4.908 2.148 1.00 0.00 C ATOM 267 CD1 LEU A 18 2.946 4.336 2.521 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.150 6.276 1.473 1.00 0.00 C ATOM 269 H LEU A 18 7.028 6.348 4.815 1.00 0.00 H ATOM 270 HA LEU A 18 4.284 6.843 4.085 1.00 0.00 H ATOM 271 HB2 LEU A 18 6.282 5.305 3.001 1.00 0.00 H ATOM 272 HB3 LEU A 18 5.398 4.025 3.814 1.00 0.00 H ATOM 273 HG LEU A 18 4.796 4.223 1.413 1.00 0.00 H ATOM 274 HD11 LEU A 18 3.022 3.354 3.022 1.00 0.00 H ATOM 275 HD12 LEU A 18 2.403 5.014 3.206 1.00 0.00 H ATOM 276 HD13 LEU A 18 2.297 4.212 1.635 1.00 0.00 H ATOM 277 HD21 LEU A 18 3.756 7.034 2.176 1.00 0.00 H ATOM 278 HD22 LEU A 18 5.103 6.669 1.070 1.00 0.00 H ATOM 279 HD23 LEU A 18 3.436 6.227 0.630 1.00 0.00 H ATOM 280 N ARG A 19 4.564 4.498 6.357 1.00 0.00 N ATOM 281 CA ARG A 19 3.801 3.636 7.255 1.00 0.00 C ATOM 282 C ARG A 19 2.935 4.452 8.187 1.00 0.00 C ATOM 283 O ARG A 19 1.763 4.135 8.429 1.00 0.00 O ATOM 284 CB ARG A 19 4.788 2.733 8.045 1.00 0.00 C ATOM 285 CG ARG A 19 5.676 1.813 7.164 1.00 0.00 C ATOM 286 CD ARG A 19 5.615 0.343 7.600 1.00 0.00 C ATOM 287 NE ARG A 19 6.428 -0.459 6.651 1.00 0.00 N ATOM 288 CZ ARG A 19 7.108 -1.556 6.956 1.00 0.00 C ATOM 289 NH1 ARG A 19 7.151 -2.086 8.142 1.00 0.00 N ATOM 290 NH2 ARG A 19 7.764 -2.130 6.011 1.00 0.00 N ATOM 291 H ARG A 19 5.612 4.470 6.320 1.00 0.00 H ATOM 292 HA ARG A 19 3.129 3.006 6.642 1.00 0.00 H ATOM 293 HB2 ARG A 19 5.430 3.366 8.691 1.00 0.00 H ATOM 294 HB3 ARG A 19 4.224 2.094 8.753 1.00 0.00 H ATOM 295 HG2 ARG A 19 5.375 1.873 6.099 1.00 0.00 H ATOM 296 HG3 ARG A 19 6.728 2.162 7.188 1.00 0.00 H ATOM 297 HD2 ARG A 19 6.002 0.230 8.633 1.00 0.00 H ATOM 298 HD3 ARG A 19 4.565 -0.014 7.606 1.00 0.00 H ATOM 299 HE ARG A 19 6.468 -0.136 5.674 1.00 0.00 H ATOM 300 HH11 ARG A 19 6.605 -1.569 8.832 1.00 0.00 H ATOM 301 HH12 ARG A 19 7.709 -2.931 8.253 1.00 0.00 H ATOM 302 HH21 ARG A 19 7.664 -1.635 5.122 1.00 0.00 H ATOM 303 HH22 ARG A 19 8.289 -2.972 6.238 1.00 0.00 H ATOM 304 N THR A 20 3.495 5.517 8.729 1.00 0.00 N ATOM 305 CA THR A 20 2.770 6.389 9.650 1.00 0.00 C ATOM 306 C THR A 20 1.646 7.107 8.941 1.00 0.00 C ATOM 307 O THR A 20 0.561 7.324 9.493 1.00 0.00 O ATOM 308 CB THR A 20 3.746 7.414 10.320 1.00 0.00 C ATOM 309 OG1 THR A 20 4.347 6.846 11.476 1.00 0.00 O ATOM 310 CG2 THR A 20 3.115 8.732 10.820 1.00 0.00 C ATOM 311 H THR A 20 4.476 5.727 8.424 1.00 0.00 H ATOM 312 HA THR A 20 2.316 5.762 10.439 1.00 0.00 H ATOM 313 HB THR A 20 4.545 7.664 9.590 1.00 0.00 H ATOM 314 HG1 THR A 20 4.981 7.497 11.794 1.00 0.00 H ATOM 315 HG21 THR A 20 2.312 8.549 11.559 1.00 0.00 H ATOM 316 HG22 THR A 20 3.859 9.393 11.301 1.00 0.00 H ATOM 317 HG23 THR A 20 2.672 9.327 9.999 1.00 0.00 H ATOM 318 N HIS A 21 1.885 7.486 7.699 1.00 0.00 N ATOM 319 CA HIS A 21 0.943 8.312 6.949 1.00 0.00 C ATOM 320 C HIS A 21 -0.375 7.597 6.761 1.00 0.00 C ATOM 321 O HIS A 21 -1.450 8.210 6.746 1.00 0.00 O ATOM 322 CB HIS A 21 1.598 8.595 5.586 1.00 0.00 C ATOM 323 CG HIS A 21 1.910 10.050 5.394 1.00 0.00 C ATOM 324 ND1 HIS A 21 0.996 11.041 5.040 1.00 0.00 N ATOM 325 CD2 HIS A 21 3.186 10.571 5.558 1.00 0.00 C ATOM 326 CE1 HIS A 21 1.815 12.110 5.016 1.00 0.00 C ATOM 327 NE2 HIS A 21 3.129 11.918 5.310 1.00 0.00 N ATOM 328 H HIS A 21 2.789 7.153 7.284 1.00 0.00 H ATOM 329 HA HIS A 21 0.732 9.210 7.553 1.00 0.00 H ATOM 330 HB2 HIS A 21 2.545 8.030 5.457 1.00 0.00 H ATOM 331 HB3 HIS A 21 0.945 8.271 4.751 1.00 0.00 H ATOM 332 HD1 HIS A 21 -0.014 10.974 4.851 1.00 0.00 H ATOM 333 HD2 HIS A 21 4.059 9.987 5.835 1.00 0.00 H ATOM 334 HE1 HIS A 21 1.379 13.068 4.764 1.00 0.00 H ATOM 335 HE2 HIS A 21 3.895 12.607 5.340 1.00 0.00 H ATOM 336 N LEU A 22 -0.317 6.289 6.597 1.00 0.00 N ATOM 337 CA LEU A 22 -1.513 5.485 6.356 1.00 0.00 C ATOM 338 C LEU A 22 -1.412 4.145 7.047 1.00 0.00 C ATOM 339 O LEU A 22 -1.610 3.083 6.446 1.00 0.00 O ATOM 340 CB LEU A 22 -1.753 5.305 4.830 1.00 0.00 C ATOM 341 CG LEU A 22 -1.120 6.340 3.861 1.00 0.00 C ATOM 342 CD1 LEU A 22 -0.775 5.735 2.490 1.00 0.00 C ATOM 343 CD2 LEU A 22 -2.063 7.537 3.676 1.00 0.00 C ATOM 344 H LEU A 22 0.630 5.850 6.698 1.00 0.00 H ATOM 345 HA LEU A 22 -2.377 6.002 6.810 1.00 0.00 H ATOM 346 HB2 LEU A 22 -1.403 4.296 4.532 1.00 0.00 H ATOM 347 HB3 LEU A 22 -2.846 5.284 4.647 1.00 0.00 H ATOM 348 HG LEU A 22 -0.181 6.714 4.321 1.00 0.00 H ATOM 349 HD11 LEU A 22 -0.201 4.796 2.599 1.00 0.00 H ATOM 350 HD12 LEU A 22 -1.682 5.474 1.914 1.00 0.00 H ATOM 351 HD13 LEU A 22 -0.169 6.421 1.870 1.00 0.00 H ATOM 352 HD21 LEU A 22 -2.368 7.974 4.646 1.00 0.00 H ATOM 353 HD22 LEU A 22 -1.600 8.349 3.083 1.00 0.00 H ATOM 354 HD23 LEU A 22 -2.994 7.245 3.155 1.00 0.00 H ATOM 355 N ALA A 23 -1.111 4.173 8.333 1.00 0.00 N ATOM 356 CA ALA A 23 -1.146 2.973 9.163 1.00 0.00 C ATOM 357 C ALA A 23 -2.568 2.526 9.406 1.00 0.00 C ATOM 358 O ALA A 23 -2.986 1.433 9.014 1.00 0.00 O ATOM 359 CB ALA A 23 -0.388 3.284 10.465 1.00 0.00 C ATOM 360 H ALA A 23 -0.830 5.106 8.719 1.00 0.00 H ATOM 361 HA ALA A 23 -0.632 2.155 8.624 1.00 0.00 H ATOM 362 HB1 ALA A 23 0.662 3.573 10.270 1.00 0.00 H ATOM 363 HB2 ALA A 23 -0.854 4.116 11.029 1.00 0.00 H ATOM 364 HB3 ALA A 23 -0.356 2.410 11.142 1.00 0.00 H ATOM 365 N PRO A 24 -3.338 3.377 10.066 1.00 0.00 N ATOM 366 CA PRO A 24 -4.819 3.178 10.394 1.00 0.00 C ATOM 367 C PRO A 24 -5.781 3.331 9.233 1.00 0.00 C ATOM 368 O PRO A 24 -6.940 2.895 9.310 1.00 0.00 O ATOM 369 CB PRO A 24 -5.170 4.224 11.442 1.00 0.00 C ATOM 370 CG PRO A 24 -4.198 5.366 11.117 1.00 0.00 C ATOM 371 CD PRO A 24 -2.922 4.687 10.617 1.00 0.00 C ATOM 372 HA PRO A 24 -4.958 2.179 10.788 1.00 0.00 H ATOM 373 HB2 PRO A 24 -6.202 4.568 11.276 1.00 0.00 H ATOM 374 HB3 PRO A 24 -4.917 3.827 12.445 1.00 0.00 H ATOM 375 HG2 PRO A 24 -4.692 5.998 10.367 1.00 0.00 H ATOM 376 HG3 PRO A 24 -3.791 5.866 12.020 1.00 0.00 H ATOM 377 HD2 PRO A 24 -2.485 5.292 9.802 1.00 0.00 H ATOM 378 HD3 PRO A 24 -2.226 4.529 11.460 1.00 0.00 H ATOM 379 N TYR A 25 -5.342 3.933 8.144 1.00 0.00 N ATOM 380 CA TYR A 25 -6.144 4.046 6.931 1.00 0.00 C ATOM 381 C TYR A 25 -5.929 2.852 6.028 1.00 0.00 C ATOM 382 O TYR A 25 -5.292 2.944 4.972 1.00 0.00 O ATOM 383 CB TYR A 25 -5.768 5.330 6.134 1.00 0.00 C ATOM 384 CG TYR A 25 -5.694 6.645 6.921 1.00 0.00 C ATOM 385 CD1 TYR A 25 -5.790 6.666 8.316 1.00 0.00 C ATOM 386 CD2 TYR A 25 -5.530 7.851 6.227 1.00 0.00 C ATOM 387 CE1 TYR A 25 -5.721 7.873 9.006 1.00 0.00 C ATOM 388 CE2 TYR A 25 -5.464 9.056 6.919 1.00 0.00 C ATOM 389 CZ TYR A 25 -5.557 9.067 8.308 1.00 0.00 C ATOM 390 OH TYR A 25 -5.488 10.249 8.988 1.00 0.00 O ATOM 391 H TYR A 25 -4.369 4.330 8.209 1.00 0.00 H ATOM 392 HA TYR A 25 -7.214 4.074 7.207 1.00 0.00 H ATOM 393 HB2 TYR A 25 -4.787 5.193 5.637 1.00 0.00 H ATOM 394 HB3 TYR A 25 -6.471 5.441 5.275 1.00 0.00 H ATOM 395 HD1 TYR A 25 -5.913 5.743 8.867 1.00 0.00 H ATOM 396 HD2 TYR A 25 -5.445 7.849 5.148 1.00 0.00 H ATOM 397 HE1 TYR A 25 -5.789 7.887 10.084 1.00 0.00 H ATOM 398 HE2 TYR A 25 -5.333 9.977 6.370 1.00 0.00 H ATOM 399 HH TYR A 25 -6.111 10.866 8.599 1.00 0.00 H ATOM 400 N SER A 26 -6.448 1.707 6.431 1.00 0.00 N ATOM 401 CA SER A 26 -6.324 0.478 5.650 1.00 0.00 C ATOM 402 C SER A 26 -7.568 -0.371 5.775 1.00 0.00 C ATOM 403 O SER A 26 -8.140 -0.838 4.783 1.00 0.00 O ATOM 404 CB SER A 26 -5.054 -0.310 6.058 1.00 0.00 C ATOM 405 OG SER A 26 -5.266 -1.159 7.192 1.00 0.00 O ATOM 406 H SER A 26 -6.970 1.731 7.340 1.00 0.00 H ATOM 407 HA SER A 26 -6.234 0.759 4.585 1.00 0.00 H ATOM 408 HB2 SER A 26 -4.716 -0.938 5.211 1.00 0.00 H ATOM 409 HB3 SER A 26 -4.207 0.374 6.262 1.00 0.00 H ATOM 410 HG SER A 26 -4.641 -1.887 7.126 1.00 0.00 H ATOM 411 N ASP A 27 -8.008 -0.588 7.001 1.00 0.00 N ATOM 412 CA ASP A 27 -9.178 -1.418 7.271 1.00 0.00 C ATOM 413 C ASP A 27 -10.457 -0.664 6.988 1.00 0.00 C ATOM 414 O ASP A 27 -11.454 -1.228 6.520 1.00 0.00 O ATOM 415 CB ASP A 27 -9.134 -1.951 8.727 1.00 0.00 C ATOM 416 CG ASP A 27 -8.380 -3.270 8.957 1.00 0.00 C ATOM 417 OD1 ASP A 27 -7.041 -3.165 8.706 1.00 0.00 O ATOM 418 OD2 ASP A 27 -8.931 -4.298 9.321 1.00 0.00 O ATOM 419 H ASP A 27 -7.454 -0.145 7.773 1.00 0.00 H ATOM 420 HA ASP A 27 -9.140 -2.260 6.556 1.00 0.00 H ATOM 421 HB2 ASP A 27 -8.702 -1.201 9.412 1.00 0.00 H ATOM 422 HB3 ASP A 27 -10.170 -2.098 9.094 1.00 0.00 H ATOM 423 N GLU A 28 -10.458 0.621 7.287 1.00 0.00 N ATOM 424 CA GLU A 28 -11.652 1.450 7.146 1.00 0.00 C ATOM 425 C GLU A 28 -12.108 1.498 5.707 1.00 0.00 C ATOM 426 O GLU A 28 -13.252 1.164 5.375 1.00 0.00 O ATOM 427 CB GLU A 28 -11.335 2.874 7.689 1.00 0.00 C ATOM 428 CG GLU A 28 -12.537 3.744 8.183 1.00 0.00 C ATOM 429 CD GLU A 28 -12.732 5.131 7.565 1.00 0.00 C ATOM 430 OE1 GLU A 28 -12.872 5.113 6.210 1.00 0.00 O ATOM 431 OE2 GLU A 28 -12.760 6.159 8.229 1.00 0.00 O ATOM 432 H GLU A 28 -9.536 1.023 7.585 1.00 0.00 H ATOM 433 HA GLU A 28 -12.470 1.010 7.744 1.00 0.00 H ATOM 434 HB2 GLU A 28 -10.592 2.784 8.506 1.00 0.00 H ATOM 435 HB3 GLU A 28 -10.802 3.431 6.895 1.00 0.00 H ATOM 436 HG2 GLU A 28 -13.483 3.192 8.031 1.00 0.00 H ATOM 437 HG3 GLU A 28 -12.479 3.888 9.278 1.00 0.00 H ATOM 438 N LEU A 29 -11.225 1.933 4.827 1.00 0.00 N ATOM 439 CA LEU A 29 -11.571 2.153 3.426 1.00 0.00 C ATOM 440 C LEU A 29 -11.913 0.850 2.742 1.00 0.00 C ATOM 441 O LEU A 29 -12.802 0.778 1.885 1.00 0.00 O ATOM 442 CB LEU A 29 -10.413 2.881 2.685 1.00 0.00 C ATOM 443 CG LEU A 29 -10.008 4.297 3.175 1.00 0.00 C ATOM 444 CD1 LEU A 29 -8.510 4.587 2.984 1.00 0.00 C ATOM 445 CD2 LEU A 29 -10.837 5.365 2.447 1.00 0.00 C ATOM 446 H LEU A 29 -10.252 2.082 5.188 1.00 0.00 H ATOM 447 HA LEU A 29 -12.484 2.774 3.384 1.00 0.00 H ATOM 448 HB2 LEU A 29 -9.511 2.236 2.717 1.00 0.00 H ATOM 449 HB3 LEU A 29 -10.670 2.946 1.610 1.00 0.00 H ATOM 450 HG LEU A 29 -10.239 4.367 4.258 1.00 0.00 H ATOM 451 HD11 LEU A 29 -7.888 3.766 3.388 1.00 0.00 H ATOM 452 HD12 LEU A 29 -8.239 4.677 1.915 1.00 0.00 H ATOM 453 HD13 LEU A 29 -8.194 5.518 3.490 1.00 0.00 H ATOM 454 HD21 LEU A 29 -11.923 5.166 2.526 1.00 0.00 H ATOM 455 HD22 LEU A 29 -10.661 6.380 2.850 1.00 0.00 H ATOM 456 HD23 LEU A 29 -10.601 5.397 1.367 1.00 0.00 H ATOM 457 N ARG A 30 -11.204 -0.203 3.104 1.00 0.00 N ATOM 458 CA ARG A 30 -11.352 -1.500 2.450 1.00 0.00 C ATOM 459 C ARG A 30 -12.756 -2.035 2.612 1.00 0.00 C ATOM 460 O ARG A 30 -13.289 -2.732 1.738 1.00 0.00 O ATOM 461 CB ARG A 30 -10.302 -2.482 3.039 1.00 0.00 C ATOM 462 CG ARG A 30 -8.950 -2.535 2.279 1.00 0.00 C ATOM 463 CD ARG A 30 -8.778 -1.372 1.294 1.00 0.00 C ATOM 464 NE ARG A 30 -7.513 -0.666 1.619 1.00 0.00 N ATOM 465 CZ ARG A 30 -6.542 -0.389 0.758 1.00 0.00 C ATOM 466 NH1 ARG A 30 -6.566 -0.708 -0.502 1.00 0.00 N ATOM 467 NH2 ARG A 30 -5.512 0.237 1.207 1.00 0.00 N ATOM 468 H ARG A 30 -10.534 -0.056 3.897 1.00 0.00 H ATOM 469 HA ARG A 30 -11.170 -1.364 1.367 1.00 0.00 H ATOM 470 HB2 ARG A 30 -10.094 -2.216 4.096 1.00 0.00 H ATOM 471 HB3 ARG A 30 -10.741 -3.501 3.093 1.00 0.00 H ATOM 472 HG2 ARG A 30 -8.095 -2.522 2.986 1.00 0.00 H ATOM 473 HG3 ARG A 30 -8.857 -3.497 1.734 1.00 0.00 H ATOM 474 HD2 ARG A 30 -8.753 -1.750 0.251 1.00 0.00 H ATOM 475 HD3 ARG A 30 -9.639 -0.676 1.365 1.00 0.00 H ATOM 476 HE ARG A 30 -7.378 -0.364 2.595 1.00 0.00 H ATOM 477 HH11 ARG A 30 -7.416 -1.204 -0.773 1.00 0.00 H ATOM 478 HH12 ARG A 30 -5.760 -0.441 -1.064 1.00 0.00 H ATOM 479 HH21 ARG A 30 -5.593 0.440 2.205 1.00 0.00 H ATOM 480 HH22 ARG A 30 -4.765 0.454 0.551 1.00 0.00 H ATOM 481 N GLN A 31 -13.371 -1.748 3.744 1.00 0.00 N ATOM 482 CA GLN A 31 -14.673 -2.318 4.083 1.00 0.00 C ATOM 483 C GLN A 31 -15.743 -1.829 3.134 1.00 0.00 C ATOM 484 O GLN A 31 -16.726 -2.524 2.850 1.00 0.00 O ATOM 485 CB GLN A 31 -15.011 -1.943 5.543 1.00 0.00 C ATOM 486 CG GLN A 31 -15.823 -0.625 5.764 1.00 0.00 C ATOM 487 CD GLN A 31 -17.193 -0.697 6.450 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.552 -1.704 7.038 1.00 0.00 O ATOM 489 NE2 GLN A 31 -17.988 0.343 6.432 1.00 0.00 N ATOM 490 H GLN A 31 -12.852 -1.124 4.407 1.00 0.00 H ATOM 491 HA GLN A 31 -14.615 -3.418 3.982 1.00 0.00 H ATOM 492 HB2 GLN A 31 -15.572 -2.783 6.006 1.00 0.00 H ATOM 493 HB3 GLN A 31 -14.062 -1.882 6.120 1.00 0.00 H ATOM 494 HG2 GLN A 31 -15.211 0.108 6.325 1.00 0.00 H ATOM 495 HG3 GLN A 31 -16.025 -0.128 4.797 1.00 0.00 H ATOM 496 HE21 GLN A 31 -17.642 1.143 5.899 1.00 0.00 H ATOM 497 HE22 GLN A 31 -18.888 0.206 6.896 1.00 0.00 H ATOM 498 N ARG A 32 -15.559 -0.632 2.609 1.00 0.00 N ATOM 499 CA ARG A 32 -16.460 -0.085 1.599 1.00 0.00 C ATOM 500 C ARG A 32 -16.252 -0.759 0.263 1.00 0.00 C ATOM 501 O ARG A 32 -17.199 -0.991 -0.501 1.00 0.00 O ATOM 502 CB ARG A 32 -16.235 1.449 1.501 1.00 0.00 C ATOM 503 CG ARG A 32 -15.137 1.888 0.497 1.00 0.00 C ATOM 504 CD ARG A 32 -15.411 3.272 -0.107 1.00 0.00 C ATOM 505 NE ARG A 32 -16.037 4.123 0.937 1.00 0.00 N ATOM 506 CZ ARG A 32 -15.390 4.743 1.914 1.00 0.00 C ATOM 507 NH1 ARG A 32 -14.104 4.685 2.095 1.00 0.00 N ATOM 508 NH2 ARG A 32 -16.087 5.448 2.734 1.00 0.00 N ATOM 509 H ARG A 32 -14.758 -0.078 2.996 1.00 0.00 H ATOM 510 HA ARG A 32 -17.500 -0.288 1.917 1.00 0.00 H ATOM 511 HB2 ARG A 32 -17.183 1.948 1.217 1.00 0.00 H ATOM 512 HB3 ARG A 32 -16.002 1.852 2.509 1.00 0.00 H ATOM 513 HG2 ARG A 32 -14.140 1.912 0.981 1.00 0.00 H ATOM 514 HG3 ARG A 32 -15.045 1.142 -0.319 1.00 0.00 H ATOM 515 HD2 ARG A 32 -14.468 3.731 -0.467 1.00 0.00 H ATOM 516 HD3 ARG A 32 -16.083 3.183 -0.986 1.00 0.00 H ATOM 517 HE ARG A 32 -17.059 4.242 0.898 1.00 0.00 H ATOM 518 HH11 ARG A 32 -13.628 4.105 1.404 1.00 0.00 H ATOM 519 HH12 ARG A 32 -13.722 5.206 2.883 1.00 0.00 H ATOM 520 HH21 ARG A 32 -17.083 5.428 2.503 1.00 0.00 H ATOM 521 HH22 ARG A 32 -15.597 5.929 3.485 1.00 0.00 H ATOM 522 N LEU A 33 -15.008 -1.059 -0.059 1.00 0.00 N ATOM 523 CA LEU A 33 -14.669 -1.689 -1.333 1.00 0.00 C ATOM 524 C LEU A 33 -14.611 -3.198 -1.242 1.00 0.00 C ATOM 525 O LEU A 33 -14.230 -3.877 -2.212 1.00 0.00 O ATOM 526 CB LEU A 33 -13.315 -1.127 -1.863 1.00 0.00 C ATOM 527 CG LEU A 33 -13.307 0.302 -2.470 1.00 0.00 C ATOM 528 CD1 LEU A 33 -11.965 1.025 -2.272 1.00 0.00 C ATOM 529 CD2 LEU A 33 -13.646 0.241 -3.966 1.00 0.00 C ATOM 530 H LEU A 33 -14.270 -0.775 0.629 1.00 0.00 H ATOM 531 HA LEU A 33 -15.475 -1.458 -2.053 1.00 0.00 H ATOM 532 HB2 LEU A 33 -12.574 -1.155 -1.039 1.00 0.00 H ATOM 533 HB3 LEU A 33 -12.917 -1.829 -2.620 1.00 0.00 H ATOM 534 HG LEU A 33 -14.099 0.895 -1.967 1.00 0.00 H ATOM 535 HD11 LEU A 33 -11.633 0.972 -1.218 1.00 0.00 H ATOM 536 HD12 LEU A 33 -11.156 0.566 -2.870 1.00 0.00 H ATOM 537 HD13 LEU A 33 -12.020 2.094 -2.546 1.00 0.00 H ATOM 538 HD21 LEU A 33 -14.587 -0.311 -4.153 1.00 0.00 H ATOM 539 HD22 LEU A 33 -13.764 1.248 -4.411 1.00 0.00 H ATOM 540 HD23 LEU A 33 -12.857 -0.279 -4.542 1.00 0.00 H ATOM 541 N ALA A 34 -15.004 -3.765 -0.119 1.00 0.00 N ATOM 542 CA ALA A 34 -14.918 -5.208 0.097 1.00 0.00 C ATOM 543 C ALA A 34 -16.186 -5.908 -0.335 1.00 0.00 C ATOM 544 O ALA A 34 -16.173 -7.085 -0.727 1.00 0.00 O ATOM 545 CB ALA A 34 -14.591 -5.437 1.583 1.00 0.00 C ATOM 546 H ALA A 34 -15.430 -3.131 0.598 1.00 0.00 H ATOM 547 HA ALA A 34 -14.096 -5.604 -0.529 1.00 0.00 H ATOM 548 HB1 ALA A 34 -13.637 -4.957 1.873 1.00 0.00 H ATOM 549 HB2 ALA A 34 -15.375 -5.028 2.250 1.00 0.00 H ATOM 550 HB3 ALA A 34 -14.490 -6.512 1.821 1.00 0.00 H ATOM 551 N ALA A 35 -17.308 -5.221 -0.244 1.00 0.00 N ATOM 552 CA ALA A 35 -18.613 -5.827 -0.500 1.00 0.00 C ATOM 553 C ALA A 35 -19.152 -5.422 -1.852 1.00 0.00 C ATOM 554 O ALA A 35 -19.935 -6.147 -2.481 1.00 0.00 O ATOM 555 CB ALA A 35 -19.545 -5.425 0.656 1.00 0.00 C ATOM 556 H ALA A 35 -17.218 -4.225 0.071 1.00 0.00 H ATOM 557 HA ALA A 35 -18.493 -6.927 -0.513 1.00 0.00 H ATOM 558 HB1 ALA A 35 -19.159 -5.767 1.635 1.00 0.00 H ATOM 559 HB2 ALA A 35 -19.676 -4.327 0.725 1.00 0.00 H ATOM 560 HB3 ALA A 35 -20.554 -5.865 0.543 1.00 0.00 H ATOM 561 N ARG A 36 -18.774 -4.245 -2.313 1.00 0.00 N ATOM 562 CA ARG A 36 -19.187 -3.757 -3.627 1.00 0.00 C ATOM 563 C ARG A 36 -18.616 -4.613 -4.733 1.00 0.00 C ATOM 564 O ARG A 36 -19.251 -4.847 -5.769 1.00 0.00 O ATOM 565 CB ARG A 36 -18.742 -2.275 -3.776 1.00 0.00 C ATOM 566 CG ARG A 36 -19.728 -1.232 -3.186 1.00 0.00 C ATOM 567 CD ARG A 36 -20.256 -1.636 -1.804 1.00 0.00 C ATOM 568 NE ARG A 36 -20.433 -0.406 -0.991 1.00 0.00 N ATOM 569 CZ ARG A 36 -21.565 0.270 -0.851 1.00 0.00 C ATOM 570 NH1 ARG A 36 -22.688 -0.054 -1.420 1.00 0.00 N ATOM 571 NH2 ARG A 36 -21.544 1.314 -0.100 1.00 0.00 N ATOM 572 H ARG A 36 -18.198 -3.657 -1.663 1.00 0.00 H ATOM 573 HA ARG A 36 -20.290 -3.824 -3.688 1.00 0.00 H ATOM 574 HB2 ARG A 36 -17.754 -2.134 -3.295 1.00 0.00 H ATOM 575 HB3 ARG A 36 -18.562 -2.053 -4.849 1.00 0.00 H ATOM 576 HG2 ARG A 36 -19.248 -0.237 -3.099 1.00 0.00 H ATOM 577 HG3 ARG A 36 -20.582 -1.081 -3.878 1.00 0.00 H ATOM 578 HD2 ARG A 36 -21.221 -2.174 -1.899 1.00 0.00 H ATOM 579 HD3 ARG A 36 -19.547 -2.329 -1.307 1.00 0.00 H ATOM 580 HE ARG A 36 -19.605 -0.051 -0.491 1.00 0.00 H ATOM 581 HH11 ARG A 36 -22.603 -0.852 -2.050 1.00 0.00 H ATOM 582 HH12 ARG A 36 -23.507 0.503 -1.182 1.00 0.00 H ATOM 583 HH21 ARG A 36 -20.617 1.481 0.295 1.00 0.00 H ATOM 584 HH22 ARG A 36 -22.411 1.834 0.018 1.00 0.00 H ATOM 585 N LEU A 37 -17.407 -5.104 -4.531 1.00 0.00 N ATOM 586 CA LEU A 37 -16.662 -5.794 -5.580 1.00 0.00 C ATOM 587 C LEU A 37 -16.859 -7.290 -5.511 1.00 0.00 C ATOM 588 O LEU A 37 -15.943 -8.078 -5.782 1.00 0.00 O ATOM 589 CB LEU A 37 -15.149 -5.435 -5.496 1.00 0.00 C ATOM 590 CG LEU A 37 -14.498 -4.710 -6.704 1.00 0.00 C ATOM 591 CD1 LEU A 37 -13.896 -3.346 -6.325 1.00 0.00 C ATOM 592 CD2 LEU A 37 -13.411 -5.597 -7.328 1.00 0.00 C ATOM 593 H LEU A 37 -16.990 -4.922 -3.585 1.00 0.00 H ATOM 594 HA LEU A 37 -17.064 -5.475 -6.559 1.00 0.00 H ATOM 595 HB2 LEU A 37 -14.983 -4.813 -4.591 1.00 0.00 H ATOM 596 HB3 LEU A 37 -14.579 -6.364 -5.300 1.00 0.00 H ATOM 597 HG LEU A 37 -15.282 -4.542 -7.471 1.00 0.00 H ATOM 598 HD11 LEU A 37 -14.621 -2.733 -5.758 1.00 0.00 H ATOM 599 HD12 LEU A 37 -13.010 -3.452 -5.673 1.00 0.00 H ATOM 600 HD13 LEU A 37 -13.593 -2.761 -7.212 1.00 0.00 H ATOM 601 HD21 LEU A 37 -13.796 -6.605 -7.576 1.00 0.00 H ATOM 602 HD22 LEU A 37 -13.001 -5.166 -8.261 1.00 0.00 H ATOM 603 HD23 LEU A 37 -12.560 -5.747 -6.637 1.00 0.00 H ATOM 604 N GLU A 38 -18.064 -7.714 -5.179 1.00 0.00 N ATOM 605 CA GLU A 38 -18.438 -9.124 -5.254 1.00 0.00 C ATOM 606 C GLU A 38 -19.824 -9.284 -5.834 1.00 0.00 C ATOM 607 O GLU A 38 -20.608 -10.146 -5.422 1.00 0.00 O ATOM 608 CB GLU A 38 -18.349 -9.735 -3.827 1.00 0.00 C ATOM 609 CG GLU A 38 -16.987 -10.380 -3.407 1.00 0.00 C ATOM 610 CD GLU A 38 -16.854 -11.903 -3.468 1.00 0.00 C ATOM 611 OE1 GLU A 38 -16.673 -12.515 -4.512 1.00 0.00 O ATOM 612 OE2 GLU A 38 -16.956 -12.511 -2.253 1.00 0.00 O ATOM 613 H GLU A 38 -18.724 -6.986 -4.813 1.00 0.00 H ATOM 614 HA GLU A 38 -17.730 -9.645 -5.925 1.00 0.00 H ATOM 615 HB2 GLU A 38 -18.607 -8.952 -3.088 1.00 0.00 H ATOM 616 HB3 GLU A 38 -19.153 -10.489 -3.714 1.00 0.00 H ATOM 617 HG2 GLU A 38 -16.171 -9.964 -4.028 1.00 0.00 H ATOM 618 HG3 GLU A 38 -16.723 -10.077 -2.376 1.00 0.00 H ATOM 619 N ALA A 39 -20.159 -8.430 -6.783 1.00 0.00 N ATOM 620 CA ALA A 39 -21.506 -8.383 -7.345 1.00 0.00 C ATOM 621 C ALA A 39 -21.514 -7.655 -8.670 1.00 0.00 C ATOM 622 O ALA A 39 -21.991 -8.165 -9.690 1.00 0.00 O ATOM 623 CB ALA A 39 -22.426 -7.728 -6.300 1.00 0.00 C ATOM 624 H ALA A 39 -19.400 -7.784 -7.110 1.00 0.00 H ATOM 625 HA ALA A 39 -21.845 -9.418 -7.538 1.00 0.00 H ATOM 626 HB1 ALA A 39 -22.437 -8.295 -5.350 1.00 0.00 H ATOM 627 HB2 ALA A 39 -22.110 -6.695 -6.057 1.00 0.00 H ATOM 628 HB3 ALA A 39 -23.473 -7.675 -6.649 1.00 0.00 H ATOM 629 N LEU A 40 -20.981 -6.448 -8.676 1.00 0.00 N ATOM 630 CA LEU A 40 -21.061 -5.571 -9.840 1.00 0.00 C ATOM 631 C LEU A 40 -20.330 -6.168 -11.020 1.00 0.00 C ATOM 632 O LEU A 40 -20.922 -6.518 -12.048 1.00 0.00 O ATOM 633 CB LEU A 40 -20.504 -4.159 -9.500 1.00 0.00 C ATOM 634 CG LEU A 40 -20.404 -3.116 -10.645 1.00 0.00 C ATOM 635 CD1 LEU A 40 -21.676 -2.264 -10.786 1.00 0.00 C ATOM 636 CD2 LEU A 40 -19.191 -2.201 -10.423 1.00 0.00 C ATOM 637 H LEU A 40 -20.489 -6.158 -7.796 1.00 0.00 H ATOM 638 HA LEU A 40 -22.121 -5.486 -10.142 1.00 0.00 H ATOM 639 HB2 LEU A 40 -21.119 -3.721 -8.688 1.00 0.00 H ATOM 640 HB3 LEU A 40 -19.498 -4.278 -9.051 1.00 0.00 H ATOM 641 HG LEU A 40 -20.246 -3.664 -11.598 1.00 0.00 H ATOM 642 HD11 LEU A 40 -22.581 -2.899 -10.820 1.00 0.00 H ATOM 643 HD12 LEU A 40 -21.814 -1.582 -9.927 1.00 0.00 H ATOM 644 HD13 LEU A 40 -21.671 -1.650 -11.705 1.00 0.00 H ATOM 645 HD21 LEU A 40 -18.260 -2.781 -10.274 1.00 0.00 H ATOM 646 HD22 LEU A 40 -19.018 -1.518 -11.276 1.00 0.00 H ATOM 647 HD23 LEU A 40 -19.316 -1.571 -9.522 1.00 0.00 H ATOM 648 N LYS A 41 -19.025 -6.310 -10.884 1.00 0.00 N ATOM 649 CA LYS A 41 -18.165 -6.708 -11.995 1.00 0.00 C ATOM 650 C LYS A 41 -18.000 -8.209 -12.054 1.00 0.00 C ATOM 651 O LYS A 41 -17.660 -8.781 -13.100 1.00 0.00 O ATOM 652 CB LYS A 41 -16.785 -6.006 -11.855 1.00 0.00 C ATOM 653 CG LYS A 41 -15.833 -6.710 -10.858 1.00 0.00 C ATOM 654 CD LYS A 41 -14.985 -5.766 -10.001 1.00 0.00 C ATOM 655 CE LYS A 41 -13.927 -5.093 -10.885 1.00 0.00 C ATOM 656 NZ LYS A 41 -12.672 -5.862 -10.819 1.00 0.00 N ATOM 657 H LYS A 41 -18.638 -6.109 -9.930 1.00 0.00 H ATOM 658 HA LYS A 41 -18.647 -6.392 -12.939 1.00 0.00 H ATOM 659 HB2 LYS A 41 -16.294 -5.949 -12.847 1.00 0.00 H ATOM 660 HB3 LYS A 41 -16.935 -4.949 -11.551 1.00 0.00 H ATOM 661 HG2 LYS A 41 -16.412 -7.336 -10.152 1.00 0.00 H ATOM 662 HG3 LYS A 41 -15.176 -7.415 -11.406 1.00 0.00 H ATOM 663 HD2 LYS A 41 -15.638 -5.018 -9.510 1.00 0.00 H ATOM 664 HD3 LYS A 41 -14.496 -6.337 -9.185 1.00 0.00 H ATOM 665 HE2 LYS A 41 -14.285 -5.024 -11.934 1.00 0.00 H ATOM 666 HE3 LYS A 41 -13.740 -4.048 -10.561 1.00 0.00 H ATOM 667 HZ1 LYS A 41 -12.798 -6.674 -10.198 1.00 0.00 H ATOM 668 HZ2 LYS A 41 -12.418 -6.188 -11.763 1.00 0.00 H ATOM 669 HZ3 LYS A 41 -11.920 -5.262 -10.450 1.00 0.00 H ATOM 670 N GLU A 42 -18.200 -8.875 -10.932 1.00 0.00 N ATOM 671 CA GLU A 42 -18.249 -10.334 -10.899 1.00 0.00 C ATOM 672 C GLU A 42 -16.916 -10.926 -11.294 1.00 0.00 C ATOM 673 O GLU A 42 -16.694 -11.327 -12.443 1.00 0.00 O ATOM 674 CB GLU A 42 -19.384 -10.815 -11.847 1.00 0.00 C ATOM 675 CG GLU A 42 -20.836 -10.320 -11.536 1.00 0.00 C ATOM 676 CD GLU A 42 -21.544 -10.877 -10.299 1.00 0.00 C ATOM 677 OE1 GLU A 42 -20.942 -11.345 -9.341 1.00 0.00 O ATOM 678 OE2 GLU A 42 -22.902 -10.805 -10.365 1.00 0.00 O ATOM 679 H GLU A 42 -18.268 -8.292 -10.061 1.00 0.00 H ATOM 680 HA GLU A 42 -18.468 -10.663 -9.866 1.00 0.00 H ATOM 681 HB2 GLU A 42 -19.132 -10.523 -12.885 1.00 0.00 H ATOM 682 HB3 GLU A 42 -19.380 -11.923 -11.870 1.00 0.00 H ATOM 683 HG2 GLU A 42 -20.840 -9.218 -11.436 1.00 0.00 H ATOM 684 HG3 GLU A 42 -21.499 -10.516 -12.399 1.00 0.00 H ATOM 685 N ASN A 43 -15.993 -10.961 -10.350 1.00 0.00 N ATOM 686 CA ASN A 43 -14.697 -11.600 -10.557 1.00 0.00 C ATOM 687 C ASN A 43 -14.867 -13.007 -11.081 1.00 0.00 C ATOM 688 O ASN A 43 -14.205 -13.431 -12.036 1.00 0.00 O ATOM 689 CB ASN A 43 -13.898 -11.604 -9.221 1.00 0.00 C ATOM 690 CG ASN A 43 -12.390 -11.861 -9.314 1.00 0.00 C ATOM 691 OD1 ASN A 43 -11.720 -11.484 -10.264 1.00 0.00 O ATOM 692 ND2 ASN A 43 -11.802 -12.507 -8.344 1.00 0.00 N ATOM 693 H ASN A 43 -16.231 -10.460 -9.459 1.00 0.00 H ATOM 694 HA ASN A 43 -14.144 -11.030 -11.326 1.00 0.00 H ATOM 695 HB2 ASN A 43 -14.023 -10.627 -8.715 1.00 0.00 H ATOM 696 HB3 ASN A 43 -14.331 -12.335 -8.515 1.00 0.00 H ATOM 697 HD21 ASN A 43 -12.369 -12.740 -7.529 1.00 0.00 H ATOM 698 HD22 ASN A 43 -10.786 -12.553 -8.463 1.00 0.00 H ATOM 699 N GLY A 44 -15.737 -13.767 -10.442 1.00 0.00 N ATOM 700 CA GLY A 44 -16.006 -15.144 -10.848 1.00 0.00 C ATOM 701 C GLY A 44 -17.287 -15.232 -11.645 1.00 0.00 C ATOM 702 O GLY A 44 -17.413 -14.667 -12.738 1.00 0.00 O ATOM 703 H GLY A 44 -16.189 -13.340 -9.598 1.00 0.00 H ATOM 704 HA2 GLY A 44 -15.171 -15.533 -11.459 1.00 0.00 H ATOM 705 HA3 GLY A 44 -16.087 -15.796 -9.960 1.00 0.00 H ATOM 706 N GLY A 45 -18.248 -15.971 -11.124 1.00 0.00 N ATOM 707 CA GLY A 45 -19.551 -16.111 -11.768 1.00 0.00 C ATOM 708 C GLY A 45 -19.627 -17.394 -12.563 1.00 0.00 C ATOM 709 O GLY A 45 -18.788 -18.292 -12.432 1.00 0.00 O ATOM 710 H GLY A 45 -18.009 -16.484 -10.241 1.00 0.00 H ATOM 711 HA2 GLY A 45 -20.355 -16.106 -11.009 1.00 0.00 H ATOM 712 HA3 GLY A 45 -19.739 -15.255 -12.442 1.00 0.00 H ATOM 713 N ALA A 46 -20.631 -17.494 -13.414 1.00 0.00 N ATOM 714 CA ALA A 46 -20.900 -18.725 -14.152 1.00 0.00 C ATOM 715 C ALA A 46 -20.404 -18.623 -15.574 1.00 0.00 C ATOM 716 O ALA A 46 -21.093 -18.077 -16.490 1.00 0.00 O ATOM 717 CB ALA A 46 -22.412 -18.998 -14.066 1.00 0.00 C ATOM 718 OXT ALA A 46 -19.257 -19.121 -15.801 1.00 0.00 O ATOM 719 H ALA A 46 -21.215 -16.633 -13.541 1.00 0.00 H ATOM 720 HA ALA A 46 -20.348 -19.553 -13.670 1.00 0.00 H ATOM 721 HB1 ALA A 46 -22.826 -18.743 -13.071 1.00 0.00 H ATOM 722 HB2 ALA A 46 -22.979 -18.413 -14.814 1.00 0.00 H ATOM 723 HB3 ALA A 46 -22.648 -20.063 -14.252 1.00 0.00 H TER 724 ALA A 46 MASTER 126 0 0 2 0 0 0 6 723 1 0 4 END