HEADER IMMUNOGLOBULIN-BINDING PROTEIN 07-OCT-96 1EDI TITLE STAPHYLOCOCCAL PROTEIN A E-DOMAIN (180), NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAPHYLOCOCCAL PROTEIN A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: E-DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: PHE 11 CHI 1 ROTOMER IS 180 DEGREES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS IMMUNOGLOBULIN-BINDING PROTEIN, REPEAT, TRANSMEMBRANE, CELL KEYWDS 2 WALL, SIGNAL, IGG-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.A.STAROVASNIK,N.J.SKELTON,W.J.FAIRBROTHER REVDAT 3 24-FEB-09 1EDI 1 VERSN REVDAT 2 01-APR-03 1EDI 1 JRNL REVDAT 1 01-APR-97 1EDI 0 JRNL AUTH M.A.STAROVASNIK,N.J.SKELTON,M.P.O'CONNELL, JRNL AUTH 2 R.F.KELLEY,D.REILLY,W.J.FAIRBROTHER JRNL TITL SOLUTION STRUCTURE OF THE E-DOMAIN OF JRNL TITL 2 STAPHYLOCOCCAL PROTEIN A. JRNL REF BIOCHEMISTRY V. 35 15558 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8952510 JRNL DOI 10.1021/BI961409X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EDI 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) : 298 REMARK 210 PH : 5.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D COSY, TOCSY, NOESY, 2Q, REMARK 210 COSY-35, HSQC, TOCSY-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX-500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII, DISCOVER (BIOSYM) REMARK 210 (BIOSYM) REMARK 210 METHOD USED : DG FOLLOWED BY RESTRAINED REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST RESTRAINT VIOLATION REMARK 210 ENERGY 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 HIS A 3 -150.76 166.83 REMARK 500 ASP A 35 77.64 -118.64 REMARK 500 GLN A 38 39.85 -89.83 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EDJ RELATED DB: PDB DBREF 1EDI A 1 56 UNP P38507 SPA2_STAAU 37 92 SEQRES 1 A 56 ALA GLN HIS ASP GLU ALA GLN GLN ASN ALA PHE TYR GLN SEQRES 2 A 56 VAL LEU ASN MET PRO ASN LEU ASN ALA ASP GLN ARG ASN SEQRES 3 A 56 GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER GLN SER SEQRES 4 A 56 ALA ASN VAL LEU GLY GLU ALA GLN LYS LEU ASN ASP SER SEQRES 5 A 56 GLN ALA PRO LYS HELIX 1 H1 GLN A 8 LEU A 15 1 8 HELIX 2 H2 ALA A 22 ASP A 34 1 13 HELIX 3 H3 SER A 39 SER A 52 1 14 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 ALA A 1 -13.385 -1.123 -9.659 1.00 0.00 N ATOM 2 CA ALA A 1 -14.072 -1.599 -10.875 1.00 0.00 C ATOM 3 C ALA A 1 -15.276 -0.718 -11.204 1.00 0.00 C ATOM 4 O ALA A 1 -15.357 -0.148 -12.290 1.00 0.00 O ATOM 5 CB ALA A 1 -14.482 -3.067 -10.728 1.00 0.00 C ATOM 6 H1 ALA A 1 -13.129 -0.152 -9.771 1.00 0.00 H ATOM 7 H2 ALA A 1 -14.003 -1.214 -8.865 1.00 0.00 H ATOM 8 H3 ALA A 1 -12.548 -1.668 -9.496 1.00 0.00 H ATOM 9 HA ALA A 1 -13.365 -1.534 -11.703 1.00 0.00 H ATOM 10 HB1 ALA A 1 -13.597 -3.679 -10.556 1.00 0.00 H ATOM 11 HB2 ALA A 1 -15.167 -3.187 -9.888 1.00 0.00 H ATOM 12 HB3 ALA A 1 -14.973 -3.404 -11.642 1.00 0.00 H ATOM 13 N GLN A 2 -16.186 -0.581 -10.234 1.00 0.00 N ATOM 14 CA GLN A 2 -17.294 0.366 -10.261 1.00 0.00 C ATOM 15 C GLN A 2 -16.800 1.812 -10.384 1.00 0.00 C ATOM 16 O GLN A 2 -17.492 2.657 -10.948 1.00 0.00 O ATOM 17 CB GLN A 2 -18.179 0.171 -9.016 1.00 0.00 C ATOM 18 CG GLN A 2 -17.603 0.706 -7.690 1.00 0.00 C ATOM 19 CD GLN A 2 -16.277 0.063 -7.278 1.00 0.00 C ATOM 20 OE1 GLN A 2 -16.084 -1.140 -7.440 1.00 0.00 O ATOM 21 NE2 GLN A 2 -15.349 0.863 -6.752 1.00 0.00 N ATOM 22 H GLN A 2 -16.057 -1.113 -9.385 1.00 0.00 H ATOM 23 HA GLN A 2 -17.903 0.137 -11.137 1.00 0.00 H ATOM 24 HB2 GLN A 2 -19.119 0.697 -9.193 1.00 0.00 H ATOM 25 HB3 GLN A 2 -18.409 -0.890 -8.905 1.00 0.00 H ATOM 26 HG2 GLN A 2 -17.484 1.788 -7.758 1.00 0.00 H ATOM 27 HG3 GLN A 2 -18.327 0.504 -6.901 1.00 0.00 H ATOM 28 HE21 GLN A 2 -15.537 1.849 -6.617 1.00 0.00 H ATOM 29 HE22 GLN A 2 -14.456 0.479 -6.480 1.00 0.00 H ATOM 30 N HIS A 3 -15.610 2.087 -9.836 1.00 0.00 N ATOM 31 CA HIS A 3 -14.983 3.395 -9.769 1.00 0.00 C ATOM 32 C HIS A 3 -13.815 3.309 -8.787 1.00 0.00 C ATOM 33 O HIS A 3 -13.241 2.234 -8.606 1.00 0.00 O ATOM 34 CB HIS A 3 -16.007 4.393 -9.204 1.00 0.00 C ATOM 35 CG HIS A 3 -17.283 4.566 -9.996 1.00 0.00 C ATOM 36 ND1 HIS A 3 -17.441 5.503 -11.007 1.00 0.00 N ATOM 37 CD2 HIS A 3 -18.493 3.920 -9.917 1.00 0.00 C ATOM 38 CE1 HIS A 3 -18.691 5.371 -11.485 1.00 0.00 C ATOM 39 NE2 HIS A 3 -19.388 4.427 -10.853 1.00 0.00 N ATOM 40 H HIS A 3 -15.105 1.337 -9.387 1.00 0.00 H ATOM 41 HA HIS A 3 -14.671 3.744 -10.756 1.00 0.00 H ATOM 42 HB2 HIS A 3 -16.289 4.066 -8.204 1.00 0.00 H ATOM 43 HB3 HIS A 3 -15.529 5.368 -9.106 1.00 0.00 H ATOM 44 HD1 HIS A 3 -16.743 6.162 -11.325 1.00 0.00 H ATOM 45 HD2 HIS A 3 -18.720 3.127 -9.219 1.00 0.00 H ATOM 46 HE1 HIS A 3 -19.095 5.970 -12.285 1.00 0.00 H ATOM 47 N ASP A 4 -13.501 4.434 -8.132 1.00 0.00 N ATOM 48 CA ASP A 4 -12.558 4.508 -7.021 1.00 0.00 C ATOM 49 C ASP A 4 -11.192 3.939 -7.416 1.00 0.00 C ATOM 50 O ASP A 4 -10.650 3.069 -6.735 1.00 0.00 O ATOM 51 CB ASP A 4 -13.152 3.814 -5.784 1.00 0.00 C ATOM 52 CG ASP A 4 -14.557 4.318 -5.460 1.00 0.00 C ATOM 53 OD1 ASP A 4 -14.642 5.374 -4.796 1.00 0.00 O ATOM 54 OD2 ASP A 4 -15.519 3.643 -5.889 1.00 0.00 O ATOM 55 H ASP A 4 -14.018 5.273 -8.353 1.00 0.00 H ATOM 56 HA ASP A 4 -12.419 5.562 -6.777 1.00 0.00 H ATOM 57 HB2 ASP A 4 -13.190 2.735 -5.941 1.00 0.00 H ATOM 58 HB3 ASP A 4 -12.515 4.014 -4.924 1.00 0.00 H ATOM 59 N GLU A 5 -10.652 4.422 -8.540 1.00 0.00 N ATOM 60 CA GLU A 5 -9.462 3.856 -9.158 1.00 0.00 C ATOM 61 C GLU A 5 -8.226 4.043 -8.277 1.00 0.00 C ATOM 62 O GLU A 5 -7.459 3.102 -8.096 1.00 0.00 O ATOM 63 CB GLU A 5 -9.258 4.426 -10.564 1.00 0.00 C ATOM 64 CG GLU A 5 -10.432 4.052 -11.474 1.00 0.00 C ATOM 65 CD GLU A 5 -10.230 4.566 -12.894 1.00 0.00 C ATOM 66 OE1 GLU A 5 -9.524 3.871 -13.656 1.00 0.00 O ATOM 67 OE2 GLU A 5 -10.787 5.645 -13.193 1.00 0.00 O ATOM 68 H GLU A 5 -11.145 5.146 -9.043 1.00 0.00 H ATOM 69 HA GLU A 5 -9.632 2.789 -9.276 1.00 0.00 H ATOM 70 HB2 GLU A 5 -9.145 5.510 -10.521 1.00 0.00 H ATOM 71 HB3 GLU A 5 -8.353 3.982 -10.984 1.00 0.00 H ATOM 72 HG2 GLU A 5 -10.510 2.966 -11.507 1.00 0.00 H ATOM 73 HG3 GLU A 5 -11.362 4.462 -11.081 1.00 0.00 H ATOM 74 N ALA A 6 -8.047 5.242 -7.710 1.00 0.00 N ATOM 75 CA ALA A 6 -6.964 5.530 -6.779 1.00 0.00 C ATOM 76 C ALA A 6 -7.038 4.626 -5.543 1.00 0.00 C ATOM 77 O ALA A 6 -6.015 4.116 -5.089 1.00 0.00 O ATOM 78 CB ALA A 6 -7.018 7.005 -6.374 1.00 0.00 C ATOM 79 H ALA A 6 -8.714 5.976 -7.901 1.00 0.00 H ATOM 80 HA ALA A 6 -6.013 5.355 -7.286 1.00 0.00 H ATOM 81 HB1 ALA A 6 -6.926 7.634 -7.261 1.00 0.00 H ATOM 82 HB2 ALA A 6 -7.963 7.224 -5.876 1.00 0.00 H ATOM 83 HB3 ALA A 6 -6.196 7.229 -5.694 1.00 0.00 H ATOM 84 N GLN A 7 -8.252 4.434 -5.010 1.00 0.00 N ATOM 85 CA GLN A 7 -8.514 3.643 -3.816 1.00 0.00 C ATOM 86 C GLN A 7 -8.058 2.197 -4.025 1.00 0.00 C ATOM 87 O GLN A 7 -7.245 1.685 -3.256 1.00 0.00 O ATOM 88 CB GLN A 7 -10.016 3.720 -3.495 1.00 0.00 C ATOM 89 CG GLN A 7 -10.369 3.288 -2.066 1.00 0.00 C ATOM 90 CD GLN A 7 -9.855 4.255 -1.002 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.219 3.835 -0.041 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.139 5.550 -1.154 1.00 0.00 N ATOM 93 H GLN A 7 -9.044 4.870 -5.458 1.00 0.00 H ATOM 94 HA GLN A 7 -7.949 4.083 -2.994 1.00 0.00 H ATOM 95 HB2 GLN A 7 -10.372 4.738 -3.659 1.00 0.00 H ATOM 96 HB3 GLN A 7 -10.558 3.066 -4.176 1.00 0.00 H ATOM 97 HG2 GLN A 7 -11.455 3.239 -1.979 1.00 0.00 H ATOM 98 HG3 GLN A 7 -9.967 2.291 -1.879 1.00 0.00 H ATOM 99 HE21 GLN A 7 -10.678 5.868 -1.945 1.00 0.00 H ATOM 100 HE22 GLN A 7 -9.778 6.214 -0.482 1.00 0.00 H ATOM 101 N GLN A 8 -8.579 1.547 -5.075 1.00 0.00 N ATOM 102 CA GLN A 8 -8.259 0.159 -5.375 1.00 0.00 C ATOM 103 C GLN A 8 -6.789 0.004 -5.773 1.00 0.00 C ATOM 104 O GLN A 8 -6.155 -0.969 -5.375 1.00 0.00 O ATOM 105 CB GLN A 8 -9.223 -0.417 -6.424 1.00 0.00 C ATOM 106 CG GLN A 8 -8.986 0.137 -7.835 1.00 0.00 C ATOM 107 CD GLN A 8 -9.929 -0.441 -8.886 1.00 0.00 C ATOM 108 OE1 GLN A 8 -10.591 -1.452 -8.663 1.00 0.00 O ATOM 109 NE2 GLN A 8 -9.963 0.196 -10.058 1.00 0.00 N ATOM 110 H GLN A 8 -9.237 2.028 -5.675 1.00 0.00 H ATOM 111 HA GLN A 8 -8.421 -0.416 -4.462 1.00 0.00 H ATOM 112 HB2 GLN A 8 -9.092 -1.497 -6.439 1.00 0.00 H ATOM 113 HB3 GLN A 8 -10.249 -0.202 -6.121 1.00 0.00 H ATOM 114 HG2 GLN A 8 -9.124 1.212 -7.794 1.00 0.00 H ATOM 115 HG3 GLN A 8 -7.973 -0.082 -8.167 1.00 0.00 H ATOM 116 HE21 GLN A 8 -9.372 1.000 -10.209 1.00 0.00 H ATOM 117 HE22 GLN A 8 -10.554 -0.138 -10.803 1.00 0.00 H ATOM 118 N ASN A 9 -6.240 0.961 -6.536 1.00 0.00 N ATOM 119 CA ASN A 9 -4.848 0.943 -6.963 1.00 0.00 C ATOM 120 C ASN A 9 -3.923 0.914 -5.751 1.00 0.00 C ATOM 121 O ASN A 9 -3.044 0.062 -5.679 1.00 0.00 O ATOM 122 CB ASN A 9 -4.544 2.149 -7.859 1.00 0.00 C ATOM 123 CG ASN A 9 -3.068 2.200 -8.251 1.00 0.00 C ATOM 124 OD1 ASN A 9 -2.661 1.575 -9.227 1.00 0.00 O ATOM 125 ND2 ASN A 9 -2.259 2.943 -7.491 1.00 0.00 N ATOM 126 H ASN A 9 -6.812 1.739 -6.839 1.00 0.00 H ATOM 127 HA ASN A 9 -4.679 0.039 -7.550 1.00 0.00 H ATOM 128 HB2 ASN A 9 -5.139 2.072 -8.770 1.00 0.00 H ATOM 129 HB3 ASN A 9 -4.811 3.073 -7.345 1.00 0.00 H ATOM 130 HD21 ASN A 9 -2.627 3.440 -6.693 1.00 0.00 H ATOM 131 HD22 ASN A 9 -1.277 3.001 -7.719 1.00 0.00 H ATOM 132 N ALA A 10 -4.129 1.836 -4.803 1.00 0.00 N ATOM 133 CA ALA A 10 -3.345 1.903 -3.579 1.00 0.00 C ATOM 134 C ALA A 10 -3.376 0.565 -2.835 1.00 0.00 C ATOM 135 O ALA A 10 -2.329 0.066 -2.431 1.00 0.00 O ATOM 136 CB ALA A 10 -3.848 3.057 -2.709 1.00 0.00 C ATOM 137 H ALA A 10 -4.875 2.510 -4.923 1.00 0.00 H ATOM 138 HA ALA A 10 -2.312 2.120 -3.852 1.00 0.00 H ATOM 139 HB1 ALA A 10 -4.900 2.916 -2.462 1.00 0.00 H ATOM 140 HB2 ALA A 10 -3.264 3.107 -1.789 1.00 0.00 H ATOM 141 HB3 ALA A 10 -3.732 3.997 -3.250 1.00 0.00 H ATOM 142 N PHE A 11 -4.565 -0.032 -2.689 1.00 0.00 N ATOM 143 CA PHE A 11 -4.736 -1.329 -2.046 1.00 0.00 C ATOM 144 C PHE A 11 -3.926 -2.425 -2.753 1.00 0.00 C ATOM 145 O PHE A 11 -3.163 -3.139 -2.103 1.00 0.00 O ATOM 146 CB PHE A 11 -6.231 -1.666 -1.987 1.00 0.00 C ATOM 147 CG PHE A 11 -6.552 -3.027 -1.402 1.00 0.00 C ATOM 148 CD1 PHE A 11 -6.231 -3.310 -0.062 1.00 0.00 C ATOM 149 CD2 PHE A 11 -7.196 -4.001 -2.189 1.00 0.00 C ATOM 150 CE1 PHE A 11 -6.559 -4.560 0.491 1.00 0.00 C ATOM 151 CE2 PHE A 11 -7.537 -5.245 -1.630 1.00 0.00 C ATOM 152 CZ PHE A 11 -7.227 -5.521 -0.287 1.00 0.00 C ATOM 153 H PHE A 11 -5.389 0.429 -3.051 1.00 0.00 H ATOM 154 HA PHE A 11 -4.367 -1.247 -1.023 1.00 0.00 H ATOM 155 HB2 PHE A 11 -6.734 -0.909 -1.383 1.00 0.00 H ATOM 156 HB3 PHE A 11 -6.646 -1.610 -2.991 1.00 0.00 H ATOM 157 HD1 PHE A 11 -5.741 -2.567 0.550 1.00 0.00 H ATOM 158 HD2 PHE A 11 -7.446 -3.795 -3.219 1.00 0.00 H ATOM 159 HE1 PHE A 11 -6.304 -4.780 1.516 1.00 0.00 H ATOM 160 HE2 PHE A 11 -8.039 -5.988 -2.233 1.00 0.00 H ATOM 161 HZ PHE A 11 -7.489 -6.477 0.142 1.00 0.00 H ATOM 162 N TYR A 12 -4.079 -2.548 -4.079 1.00 0.00 N ATOM 163 CA TYR A 12 -3.366 -3.533 -4.886 1.00 0.00 C ATOM 164 C TYR A 12 -1.851 -3.358 -4.762 1.00 0.00 C ATOM 165 O TYR A 12 -1.128 -4.341 -4.622 1.00 0.00 O ATOM 166 CB TYR A 12 -3.788 -3.435 -6.360 1.00 0.00 C ATOM 167 CG TYR A 12 -5.271 -3.572 -6.673 1.00 0.00 C ATOM 168 CD1 TYR A 12 -6.111 -4.401 -5.902 1.00 0.00 C ATOM 169 CD2 TYR A 12 -5.800 -2.901 -7.792 1.00 0.00 C ATOM 170 CE1 TYR A 12 -7.475 -4.517 -6.222 1.00 0.00 C ATOM 171 CE2 TYR A 12 -7.164 -3.017 -8.111 1.00 0.00 C ATOM 172 CZ TYR A 12 -8.005 -3.817 -7.319 1.00 0.00 C ATOM 173 OH TYR A 12 -9.337 -3.907 -7.604 1.00 0.00 O ATOM 174 H TYR A 12 -4.716 -1.924 -4.556 1.00 0.00 H ATOM 175 HA TYR A 12 -3.608 -4.529 -4.517 1.00 0.00 H ATOM 176 HB2 TYR A 12 -3.448 -2.471 -6.742 1.00 0.00 H ATOM 177 HB3 TYR A 12 -3.264 -4.215 -6.915 1.00 0.00 H ATOM 178 HD1 TYR A 12 -5.726 -4.958 -5.062 1.00 0.00 H ATOM 179 HD2 TYR A 12 -5.160 -2.292 -8.414 1.00 0.00 H ATOM 180 HE1 TYR A 12 -8.117 -5.144 -5.621 1.00 0.00 H ATOM 181 HE2 TYR A 12 -7.560 -2.496 -8.970 1.00 0.00 H ATOM 182 HH TYR A 12 -9.635 -3.273 -8.263 1.00 0.00 H ATOM 183 N GLN A 13 -1.370 -2.113 -4.812 1.00 0.00 N ATOM 184 CA GLN A 13 0.043 -1.796 -4.691 1.00 0.00 C ATOM 185 C GLN A 13 0.585 -2.241 -3.330 1.00 0.00 C ATOM 186 O GLN A 13 1.586 -2.948 -3.290 1.00 0.00 O ATOM 187 CB GLN A 13 0.258 -0.296 -4.925 1.00 0.00 C ATOM 188 CG GLN A 13 0.149 0.087 -6.407 1.00 0.00 C ATOM 189 CD GLN A 13 1.309 -0.468 -7.232 1.00 0.00 C ATOM 190 OE1 GLN A 13 1.115 -1.349 -8.066 1.00 0.00 O ATOM 191 NE2 GLN A 13 2.519 0.046 -7.003 1.00 0.00 N ATOM 192 H GLN A 13 -2.016 -1.345 -4.932 1.00 0.00 H ATOM 193 HA GLN A 13 0.589 -2.353 -5.453 1.00 0.00 H ATOM 194 HB2 GLN A 13 -0.489 0.258 -4.360 1.00 0.00 H ATOM 195 HB3 GLN A 13 1.246 -0.011 -4.565 1.00 0.00 H ATOM 196 HG2 GLN A 13 -0.788 -0.285 -6.821 1.00 0.00 H ATOM 197 HG3 GLN A 13 0.152 1.174 -6.491 1.00 0.00 H ATOM 198 HE21 GLN A 13 2.641 0.768 -6.308 1.00 0.00 H ATOM 199 HE22 GLN A 13 3.312 -0.297 -7.525 1.00 0.00 H ATOM 200 N VAL A 14 -0.074 -1.857 -2.228 1.00 0.00 N ATOM 201 CA VAL A 14 0.330 -2.246 -0.877 1.00 0.00 C ATOM 202 C VAL A 14 0.438 -3.771 -0.746 1.00 0.00 C ATOM 203 O VAL A 14 1.394 -4.258 -0.144 1.00 0.00 O ATOM 204 CB VAL A 14 -0.618 -1.627 0.165 1.00 0.00 C ATOM 205 CG1 VAL A 14 -0.341 -2.174 1.572 1.00 0.00 C ATOM 206 CG2 VAL A 14 -0.434 -0.103 0.224 1.00 0.00 C ATOM 207 H VAL A 14 -0.900 -1.282 -2.326 1.00 0.00 H ATOM 208 HA VAL A 14 1.326 -1.845 -0.687 1.00 0.00 H ATOM 209 HB VAL A 14 -1.651 -1.855 -0.102 1.00 0.00 H ATOM 210 HG11 VAL A 14 0.705 -2.013 1.837 1.00 0.00 H ATOM 211 HG12 VAL A 14 -0.975 -1.655 2.290 1.00 0.00 H ATOM 212 HG13 VAL A 14 -0.561 -3.240 1.621 1.00 0.00 H ATOM 213 HG21 VAL A 14 -0.511 0.344 -0.765 1.00 0.00 H ATOM 214 HG22 VAL A 14 -1.197 0.333 0.868 1.00 0.00 H ATOM 215 HG23 VAL A 14 0.548 0.133 0.630 1.00 0.00 H ATOM 216 N LEU A 15 -0.509 -4.524 -1.322 1.00 0.00 N ATOM 217 CA LEU A 15 -0.418 -5.979 -1.377 1.00 0.00 C ATOM 218 C LEU A 15 0.834 -6.413 -2.149 1.00 0.00 C ATOM 219 O LEU A 15 1.631 -7.195 -1.635 1.00 0.00 O ATOM 220 CB LEU A 15 -1.679 -6.577 -2.019 1.00 0.00 C ATOM 221 CG LEU A 15 -2.914 -6.531 -1.105 1.00 0.00 C ATOM 222 CD1 LEU A 15 -4.169 -6.759 -1.954 1.00 0.00 C ATOM 223 CD2 LEU A 15 -2.848 -7.618 -0.024 1.00 0.00 C ATOM 224 H LEU A 15 -1.287 -4.074 -1.786 1.00 0.00 H ATOM 225 HA LEU A 15 -0.322 -6.358 -0.360 1.00 0.00 H ATOM 226 HB2 LEU A 15 -1.897 -6.033 -2.936 1.00 0.00 H ATOM 227 HB3 LEU A 15 -1.488 -7.617 -2.285 1.00 0.00 H ATOM 228 HG LEU A 15 -2.992 -5.552 -0.631 1.00 0.00 H ATOM 229 HD11 LEU A 15 -4.077 -7.687 -2.518 1.00 0.00 H ATOM 230 HD12 LEU A 15 -5.042 -6.826 -1.307 1.00 0.00 H ATOM 231 HD13 LEU A 15 -4.307 -5.929 -2.646 1.00 0.00 H ATOM 232 HD21 LEU A 15 -2.795 -8.603 -0.487 1.00 0.00 H ATOM 233 HD22 LEU A 15 -1.977 -7.481 0.614 1.00 0.00 H ATOM 234 HD23 LEU A 15 -3.743 -7.569 0.598 1.00 0.00 H ATOM 235 N ASN A 16 1.003 -5.910 -3.378 1.00 0.00 N ATOM 236 CA ASN A 16 2.099 -6.277 -4.267 1.00 0.00 C ATOM 237 C ASN A 16 3.348 -5.440 -3.968 1.00 0.00 C ATOM 238 O ASN A 16 3.816 -4.680 -4.815 1.00 0.00 O ATOM 239 CB ASN A 16 1.651 -6.149 -5.731 1.00 0.00 C ATOM 240 CG ASN A 16 0.610 -7.205 -6.101 1.00 0.00 C ATOM 241 OD1 ASN A 16 0.957 -8.262 -6.622 1.00 0.00 O ATOM 242 ND2 ASN A 16 -0.669 -6.929 -5.841 1.00 0.00 N ATOM 243 H ASN A 16 0.326 -5.244 -3.724 1.00 0.00 H ATOM 244 HA ASN A 16 2.364 -7.324 -4.105 1.00 0.00 H ATOM 245 HB2 ASN A 16 1.255 -5.149 -5.917 1.00 0.00 H ATOM 246 HB3 ASN A 16 2.515 -6.302 -6.380 1.00 0.00 H ATOM 247 HD21 ASN A 16 -0.918 -6.048 -5.412 1.00 0.00 H ATOM 248 HD22 ASN A 16 -1.384 -7.604 -6.073 1.00 0.00 H ATOM 249 N MET A 17 3.900 -5.619 -2.763 1.00 0.00 N ATOM 250 CA MET A 17 5.160 -5.042 -2.311 1.00 0.00 C ATOM 251 C MET A 17 5.929 -6.152 -1.585 1.00 0.00 C ATOM 252 O MET A 17 5.744 -6.334 -0.382 1.00 0.00 O ATOM 253 CB MET A 17 4.879 -3.844 -1.396 1.00 0.00 C ATOM 254 CG MET A 17 4.728 -2.549 -2.194 1.00 0.00 C ATOM 255 SD MET A 17 4.244 -1.132 -1.180 1.00 0.00 S ATOM 256 CE MET A 17 3.771 0.022 -2.486 1.00 0.00 C ATOM 257 H MET A 17 3.430 -6.246 -2.122 1.00 0.00 H ATOM 258 HA MET A 17 5.741 -4.673 -3.154 1.00 0.00 H ATOM 259 HB2 MET A 17 3.978 -4.029 -0.812 1.00 0.00 H ATOM 260 HB3 MET A 17 5.712 -3.701 -0.715 1.00 0.00 H ATOM 261 HG2 MET A 17 5.676 -2.313 -2.677 1.00 0.00 H ATOM 262 HG3 MET A 17 3.983 -2.692 -2.970 1.00 0.00 H ATOM 263 HE1 MET A 17 4.610 0.177 -3.162 1.00 0.00 H ATOM 264 HE2 MET A 17 2.930 -0.390 -3.040 1.00 0.00 H ATOM 265 HE3 MET A 17 3.479 0.968 -2.034 1.00 0.00 H ATOM 266 N PRO A 18 6.775 -6.917 -2.297 1.00 0.00 N ATOM 267 CA PRO A 18 7.382 -8.138 -1.784 1.00 0.00 C ATOM 268 C PRO A 18 8.474 -7.900 -0.738 1.00 0.00 C ATOM 269 O PRO A 18 8.863 -8.850 -0.061 1.00 0.00 O ATOM 270 CB PRO A 18 7.935 -8.861 -3.015 1.00 0.00 C ATOM 271 CG PRO A 18 8.273 -7.714 -3.963 1.00 0.00 C ATOM 272 CD PRO A 18 7.158 -6.707 -3.685 1.00 0.00 C ATOM 273 HA PRO A 18 6.614 -8.768 -1.334 1.00 0.00 H ATOM 274 HB2 PRO A 18 8.803 -9.484 -2.793 1.00 0.00 H ATOM 275 HB3 PRO A 18 7.146 -9.468 -3.461 1.00 0.00 H ATOM 276 HG2 PRO A 18 9.234 -7.282 -3.678 1.00 0.00 H ATOM 277 HG3 PRO A 18 8.297 -8.030 -5.007 1.00 0.00 H ATOM 278 HD2 PRO A 18 7.540 -5.701 -3.859 1.00 0.00 H ATOM 279 HD3 PRO A 18 6.304 -6.908 -4.334 1.00 0.00 H ATOM 280 N ASN A 19 8.959 -6.661 -0.577 1.00 0.00 N ATOM 281 CA ASN A 19 10.040 -6.361 0.357 1.00 0.00 C ATOM 282 C ASN A 19 9.488 -6.037 1.747 1.00 0.00 C ATOM 283 O ASN A 19 10.243 -6.060 2.718 1.00 0.00 O ATOM 284 CB ASN A 19 10.872 -5.179 -0.147 1.00 0.00 C ATOM 285 CG ASN A 19 11.369 -5.335 -1.583 1.00 0.00 C ATOM 286 OD1 ASN A 19 11.548 -6.446 -2.079 1.00 0.00 O ATOM 287 ND2 ASN A 19 11.599 -4.208 -2.258 1.00 0.00 N ATOM 288 H ASN A 19 8.594 -5.899 -1.133 1.00 0.00 H ATOM 289 HA ASN A 19 10.709 -7.220 0.441 1.00 0.00 H ATOM 290 HB2 ASN A 19 10.259 -4.285 -0.075 1.00 0.00 H ATOM 291 HB3 ASN A 19 11.736 -5.050 0.505 1.00 0.00 H ATOM 292 HD21 ASN A 19 11.472 -3.317 -1.795 1.00 0.00 H ATOM 293 HD22 ASN A 19 11.933 -4.251 -3.209 1.00 0.00 H ATOM 294 N LEU A 20 8.181 -5.758 1.858 1.00 0.00 N ATOM 295 CA LEU A 20 7.517 -5.634 3.146 1.00 0.00 C ATOM 296 C LEU A 20 7.377 -7.014 3.788 1.00 0.00 C ATOM 297 O LEU A 20 7.521 -8.035 3.117 1.00 0.00 O ATOM 298 CB LEU A 20 6.112 -5.037 2.970 1.00 0.00 C ATOM 299 CG LEU A 20 6.080 -3.659 2.298 1.00 0.00 C ATOM 300 CD1 LEU A 20 4.621 -3.216 2.135 1.00 0.00 C ATOM 301 CD2 LEU A 20 6.825 -2.604 3.115 1.00 0.00 C ATOM 302 H LEU A 20 7.597 -5.757 1.032 1.00 0.00 H ATOM 303 HA LEU A 20 8.113 -4.996 3.795 1.00 0.00 H ATOM 304 HB2 LEU A 20 5.521 -5.727 2.365 1.00 0.00 H ATOM 305 HB3 LEU A 20 5.637 -4.954 3.948 1.00 0.00 H ATOM 306 HG LEU A 20 6.544 -3.729 1.317 1.00 0.00 H ATOM 307 HD11 LEU A 20 4.068 -3.957 1.559 1.00 0.00 H ATOM 308 HD12 LEU A 20 4.155 -3.108 3.114 1.00 0.00 H ATOM 309 HD13 LEU A 20 4.581 -2.260 1.616 1.00 0.00 H ATOM 310 HD21 LEU A 20 6.445 -2.594 4.135 1.00 0.00 H ATOM 311 HD22 LEU A 20 7.891 -2.818 3.121 1.00 0.00 H ATOM 312 HD23 LEU A 20 6.668 -1.626 2.663 1.00 0.00 H ATOM 313 N ASN A 21 7.056 -7.035 5.085 1.00 0.00 N ATOM 314 CA ASN A 21 6.638 -8.244 5.783 1.00 0.00 C ATOM 315 C ASN A 21 5.120 -8.190 5.988 1.00 0.00 C ATOM 316 O ASN A 21 4.466 -7.232 5.570 1.00 0.00 O ATOM 317 CB ASN A 21 7.439 -8.435 7.080 1.00 0.00 C ATOM 318 CG ASN A 21 7.224 -7.329 8.110 1.00 0.00 C ATOM 319 OD1 ASN A 21 6.094 -7.037 8.489 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.312 -6.721 8.584 1.00 0.00 N ATOM 321 H ASN A 21 6.984 -6.155 5.578 1.00 0.00 H ATOM 322 HA ASN A 21 6.840 -9.124 5.171 1.00 0.00 H ATOM 323 HB2 ASN A 21 7.161 -9.384 7.539 1.00 0.00 H ATOM 324 HB3 ASN A 21 8.497 -8.491 6.819 1.00 0.00 H ATOM 325 HD21 ASN A 21 9.228 -6.985 8.249 1.00 0.00 H ATOM 326 HD22 ASN A 21 8.218 -5.990 9.273 1.00 0.00 H ATOM 327 N ALA A 22 4.558 -9.230 6.614 1.00 0.00 N ATOM 328 CA ALA A 22 3.126 -9.345 6.839 1.00 0.00 C ATOM 329 C ALA A 22 2.610 -8.186 7.693 1.00 0.00 C ATOM 330 O ALA A 22 1.694 -7.481 7.278 1.00 0.00 O ATOM 331 CB ALA A 22 2.813 -10.694 7.492 1.00 0.00 C ATOM 332 H ALA A 22 5.146 -9.988 6.929 1.00 0.00 H ATOM 333 HA ALA A 22 2.623 -9.315 5.871 1.00 0.00 H ATOM 334 HB1 ALA A 22 3.144 -11.503 6.839 1.00 0.00 H ATOM 335 HB2 ALA A 22 3.323 -10.779 8.452 1.00 0.00 H ATOM 336 HB3 ALA A 22 1.737 -10.784 7.648 1.00 0.00 H ATOM 337 N ASP A 23 3.202 -7.987 8.876 1.00 0.00 N ATOM 338 CA ASP A 23 2.794 -6.963 9.833 1.00 0.00 C ATOM 339 C ASP A 23 2.746 -5.579 9.182 1.00 0.00 C ATOM 340 O ASP A 23 1.775 -4.847 9.360 1.00 0.00 O ATOM 341 CB ASP A 23 3.743 -6.961 11.039 1.00 0.00 C ATOM 342 CG ASP A 23 3.814 -8.330 11.710 1.00 0.00 C ATOM 343 OD1 ASP A 23 4.628 -9.153 11.234 1.00 0.00 O ATOM 344 OD2 ASP A 23 3.051 -8.533 12.678 1.00 0.00 O ATOM 345 H ASP A 23 3.970 -8.589 9.140 1.00 0.00 H ATOM 346 HA ASP A 23 1.793 -7.212 10.190 1.00 0.00 H ATOM 347 HB2 ASP A 23 4.745 -6.670 10.723 1.00 0.00 H ATOM 348 HB3 ASP A 23 3.389 -6.228 11.765 1.00 0.00 H ATOM 349 N GLN A 24 3.788 -5.237 8.416 1.00 0.00 N ATOM 350 CA GLN A 24 3.901 -3.975 7.702 1.00 0.00 C ATOM 351 C GLN A 24 2.759 -3.803 6.702 1.00 0.00 C ATOM 352 O GLN A 24 2.003 -2.840 6.810 1.00 0.00 O ATOM 353 CB GLN A 24 5.256 -3.910 6.993 1.00 0.00 C ATOM 354 CG GLN A 24 6.401 -3.714 7.994 1.00 0.00 C ATOM 355 CD GLN A 24 7.769 -3.874 7.337 1.00 0.00 C ATOM 356 OE1 GLN A 24 7.873 -4.308 6.194 1.00 0.00 O ATOM 357 NE2 GLN A 24 8.832 -3.532 8.066 1.00 0.00 N ATOM 358 H GLN A 24 4.552 -5.894 8.323 1.00 0.00 H ATOM 359 HA GLN A 24 3.849 -3.157 8.423 1.00 0.00 H ATOM 360 HB2 GLN A 24 5.400 -4.835 6.433 1.00 0.00 H ATOM 361 HB3 GLN A 24 5.260 -3.071 6.295 1.00 0.00 H ATOM 362 HG2 GLN A 24 6.324 -2.713 8.422 1.00 0.00 H ATOM 363 HG3 GLN A 24 6.322 -4.440 8.802 1.00 0.00 H ATOM 364 HE21 GLN A 24 8.711 -3.182 9.005 1.00 0.00 H ATOM 365 HE22 GLN A 24 9.759 -3.625 7.668 1.00 0.00 H ATOM 366 N ARG A 25 2.640 -4.708 5.720 1.00 0.00 N ATOM 367 CA ARG A 25 1.675 -4.543 4.639 1.00 0.00 C ATOM 368 C ARG A 25 0.234 -4.564 5.157 1.00 0.00 C ATOM 369 O ARG A 25 -0.576 -3.750 4.724 1.00 0.00 O ATOM 370 CB ARG A 25 1.930 -5.534 3.497 1.00 0.00 C ATOM 371 CG ARG A 25 1.471 -6.966 3.792 1.00 0.00 C ATOM 372 CD ARG A 25 1.851 -7.888 2.631 1.00 0.00 C ATOM 373 NE ARG A 25 3.307 -8.055 2.536 1.00 0.00 N ATOM 374 CZ ARG A 25 3.968 -8.475 1.443 1.00 0.00 C ATOM 375 NH1 ARG A 25 3.334 -8.688 0.281 1.00 0.00 N ATOM 376 NH2 ARG A 25 5.287 -8.689 1.508 1.00 0.00 N ATOM 377 H ARG A 25 3.273 -5.498 5.686 1.00 0.00 H ATOM 378 HA ARG A 25 1.845 -3.556 4.210 1.00 0.00 H ATOM 379 HB2 ARG A 25 1.399 -5.180 2.611 1.00 0.00 H ATOM 380 HB3 ARG A 25 2.997 -5.532 3.275 1.00 0.00 H ATOM 381 HG2 ARG A 25 1.935 -7.326 4.707 1.00 0.00 H ATOM 382 HG3 ARG A 25 0.387 -6.990 3.905 1.00 0.00 H ATOM 383 HD2 ARG A 25 1.402 -8.868 2.797 1.00 0.00 H ATOM 384 HD3 ARG A 25 1.446 -7.467 1.710 1.00 0.00 H ATOM 385 HE ARG A 25 3.836 -7.873 3.378 1.00 0.00 H ATOM 386 HH11 ARG A 25 2.347 -8.496 0.188 1.00 0.00 H ATOM 387 HH12 ARG A 25 3.855 -8.998 -0.527 1.00 0.00 H ATOM 388 HH21 ARG A 25 5.795 -8.522 2.367 1.00 0.00 H ATOM 389 HH22 ARG A 25 5.793 -8.989 0.688 1.00 0.00 H ATOM 390 N ASN A 26 -0.076 -5.455 6.109 1.00 0.00 N ATOM 391 CA ASN A 26 -1.377 -5.488 6.767 1.00 0.00 C ATOM 392 C ASN A 26 -1.621 -4.193 7.544 1.00 0.00 C ATOM 393 O ASN A 26 -2.726 -3.658 7.503 1.00 0.00 O ATOM 394 CB ASN A 26 -1.508 -6.718 7.675 1.00 0.00 C ATOM 395 CG ASN A 26 -1.776 -7.990 6.869 1.00 0.00 C ATOM 396 OD1 ASN A 26 -2.914 -8.444 6.791 1.00 0.00 O ATOM 397 ND2 ASN A 26 -0.739 -8.571 6.265 1.00 0.00 N ATOM 398 H ASN A 26 0.639 -6.090 6.439 1.00 0.00 H ATOM 399 HA ASN A 26 -2.151 -5.565 6.004 1.00 0.00 H ATOM 400 HB2 ASN A 26 -0.620 -6.832 8.297 1.00 0.00 H ATOM 401 HB3 ASN A 26 -2.363 -6.565 8.336 1.00 0.00 H ATOM 402 HD21 ASN A 26 0.186 -8.175 6.361 1.00 0.00 H ATOM 403 HD22 ASN A 26 -0.883 -9.411 5.722 1.00 0.00 H ATOM 404 N GLY A 27 -0.593 -3.670 8.223 1.00 0.00 N ATOM 405 CA GLY A 27 -0.646 -2.381 8.896 1.00 0.00 C ATOM 406 C GLY A 27 -1.067 -1.272 7.932 1.00 0.00 C ATOM 407 O GLY A 27 -1.995 -0.520 8.223 1.00 0.00 O ATOM 408 H GLY A 27 0.292 -4.161 8.238 1.00 0.00 H ATOM 409 HA2 GLY A 27 -1.351 -2.437 9.726 1.00 0.00 H ATOM 410 HA3 GLY A 27 0.344 -2.149 9.291 1.00 0.00 H ATOM 411 N PHE A 28 -0.401 -1.189 6.773 1.00 0.00 N ATOM 412 CA PHE A 28 -0.726 -0.219 5.739 1.00 0.00 C ATOM 413 C PHE A 28 -2.143 -0.427 5.196 1.00 0.00 C ATOM 414 O PHE A 28 -2.850 0.556 5.002 1.00 0.00 O ATOM 415 CB PHE A 28 0.328 -0.237 4.624 1.00 0.00 C ATOM 416 CG PHE A 28 1.680 0.333 5.022 1.00 0.00 C ATOM 417 CD1 PHE A 28 1.780 1.677 5.431 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.846 -0.451 4.929 1.00 0.00 C ATOM 419 CE1 PHE A 28 3.025 2.214 5.801 1.00 0.00 C ATOM 420 CE2 PHE A 28 4.092 0.088 5.296 1.00 0.00 C ATOM 421 CZ PHE A 28 4.182 1.422 5.729 1.00 0.00 C ATOM 422 H PHE A 28 0.361 -1.832 6.600 1.00 0.00 H ATOM 423 HA PHE A 28 -0.710 0.769 6.200 1.00 0.00 H ATOM 424 HB2 PHE A 28 0.447 -1.261 4.270 1.00 0.00 H ATOM 425 HB3 PHE A 28 -0.042 0.363 3.791 1.00 0.00 H ATOM 426 HD1 PHE A 28 0.903 2.305 5.472 1.00 0.00 H ATOM 427 HD2 PHE A 28 2.796 -1.466 4.570 1.00 0.00 H ATOM 428 HE1 PHE A 28 3.089 3.233 6.150 1.00 0.00 H ATOM 429 HE2 PHE A 28 4.986 -0.514 5.227 1.00 0.00 H ATOM 430 HZ PHE A 28 5.139 1.843 5.999 1.00 0.00 H ATOM 431 N ILE A 29 -2.580 -1.675 4.977 1.00 0.00 N ATOM 432 CA ILE A 29 -3.945 -1.973 4.544 1.00 0.00 C ATOM 433 C ILE A 29 -4.959 -1.419 5.549 1.00 0.00 C ATOM 434 O ILE A 29 -5.916 -0.767 5.144 1.00 0.00 O ATOM 435 CB ILE A 29 -4.127 -3.484 4.296 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.398 -3.863 2.995 1.00 0.00 C ATOM 437 CG2 ILE A 29 -5.612 -3.869 4.199 1.00 0.00 C ATOM 438 CD1 ILE A 29 -3.196 -5.370 2.822 1.00 0.00 C ATOM 439 H ILE A 29 -1.955 -2.452 5.144 1.00 0.00 H ATOM 440 HA ILE A 29 -4.122 -1.464 3.594 1.00 0.00 H ATOM 441 HB ILE A 29 -3.692 -4.035 5.127 1.00 0.00 H ATOM 442 HG12 ILE A 29 -3.942 -3.471 2.136 1.00 0.00 H ATOM 443 HG13 ILE A 29 -2.412 -3.410 3.002 1.00 0.00 H ATOM 444 HG21 ILE A 29 -6.105 -3.265 3.437 1.00 0.00 H ATOM 445 HG22 ILE A 29 -5.716 -4.922 3.945 1.00 0.00 H ATOM 446 HG23 ILE A 29 -6.112 -3.716 5.155 1.00 0.00 H ATOM 447 HD11 ILE A 29 -2.702 -5.788 3.698 1.00 0.00 H ATOM 448 HD12 ILE A 29 -4.147 -5.877 2.663 1.00 0.00 H ATOM 449 HD13 ILE A 29 -2.562 -5.536 1.952 1.00 0.00 H ATOM 450 N GLN A 30 -4.752 -1.663 6.849 1.00 0.00 N ATOM 451 CA GLN A 30 -5.632 -1.158 7.895 1.00 0.00 C ATOM 452 C GLN A 30 -5.614 0.372 7.949 1.00 0.00 C ATOM 453 O GLN A 30 -6.660 0.982 8.160 1.00 0.00 O ATOM 454 CB GLN A 30 -5.259 -1.772 9.252 1.00 0.00 C ATOM 455 CG GLN A 30 -5.585 -3.272 9.319 1.00 0.00 C ATOM 456 CD GLN A 30 -7.080 -3.549 9.176 1.00 0.00 C ATOM 457 OE1 GLN A 30 -7.522 -4.087 8.164 1.00 0.00 O ATOM 458 NE2 GLN A 30 -7.866 -3.180 10.189 1.00 0.00 N ATOM 459 H GLN A 30 -3.948 -2.211 7.125 1.00 0.00 H ATOM 460 HA GLN A 30 -6.652 -1.452 7.651 1.00 0.00 H ATOM 461 HB2 GLN A 30 -4.194 -1.628 9.435 1.00 0.00 H ATOM 462 HB3 GLN A 30 -5.813 -1.260 10.040 1.00 0.00 H ATOM 463 HG2 GLN A 30 -5.055 -3.802 8.529 1.00 0.00 H ATOM 464 HG3 GLN A 30 -5.245 -3.663 10.278 1.00 0.00 H ATOM 465 HE21 GLN A 30 -7.467 -2.738 11.004 1.00 0.00 H ATOM 466 HE22 GLN A 30 -8.861 -3.347 10.135 1.00 0.00 H ATOM 467 N SER A 31 -4.450 0.997 7.732 1.00 0.00 N ATOM 468 CA SER A 31 -4.343 2.448 7.636 1.00 0.00 C ATOM 469 C SER A 31 -5.174 2.975 6.461 1.00 0.00 C ATOM 470 O SER A 31 -5.867 3.979 6.600 1.00 0.00 O ATOM 471 CB SER A 31 -2.875 2.872 7.504 1.00 0.00 C ATOM 472 OG SER A 31 -2.106 2.348 8.566 1.00 0.00 O ATOM 473 H SER A 31 -3.614 0.447 7.586 1.00 0.00 H ATOM 474 HA SER A 31 -4.731 2.883 8.559 1.00 0.00 H ATOM 475 HB2 SER A 31 -2.461 2.528 6.557 1.00 0.00 H ATOM 476 HB3 SER A 31 -2.816 3.961 7.532 1.00 0.00 H ATOM 477 HG SER A 31 -2.121 1.388 8.519 1.00 0.00 H ATOM 478 N LEU A 32 -5.115 2.285 5.316 1.00 0.00 N ATOM 479 CA LEU A 32 -5.871 2.606 4.110 1.00 0.00 C ATOM 480 C LEU A 32 -7.374 2.507 4.391 1.00 0.00 C ATOM 481 O LEU A 32 -8.133 3.416 4.068 1.00 0.00 O ATOM 482 CB LEU A 32 -5.455 1.644 2.981 1.00 0.00 C ATOM 483 CG LEU A 32 -5.310 2.316 1.610 1.00 0.00 C ATOM 484 CD1 LEU A 32 -4.838 1.262 0.602 1.00 0.00 C ATOM 485 CD2 LEU A 32 -6.624 2.930 1.125 1.00 0.00 C ATOM 486 H LEU A 32 -4.520 1.468 5.282 1.00 0.00 H ATOM 487 HA LEU A 32 -5.621 3.628 3.823 1.00 0.00 H ATOM 488 HB2 LEU A 32 -4.484 1.211 3.212 1.00 0.00 H ATOM 489 HB3 LEU A 32 -6.166 0.820 2.906 1.00 0.00 H ATOM 490 HG LEU A 32 -4.554 3.101 1.668 1.00 0.00 H ATOM 491 HD11 LEU A 32 -3.878 0.849 0.913 1.00 0.00 H ATOM 492 HD12 LEU A 32 -5.570 0.457 0.533 1.00 0.00 H ATOM 493 HD13 LEU A 32 -4.721 1.720 -0.378 1.00 0.00 H ATOM 494 HD21 LEU A 32 -7.418 2.183 1.158 1.00 0.00 H ATOM 495 HD22 LEU A 32 -6.896 3.780 1.750 1.00 0.00 H ATOM 496 HD23 LEU A 32 -6.506 3.282 0.100 1.00 0.00 H ATOM 497 N LYS A 33 -7.793 1.395 5.005 1.00 0.00 N ATOM 498 CA LYS A 33 -9.174 1.104 5.359 1.00 0.00 C ATOM 499 C LYS A 33 -9.734 2.184 6.288 1.00 0.00 C ATOM 500 O LYS A 33 -10.838 2.678 6.066 1.00 0.00 O ATOM 501 CB LYS A 33 -9.229 -0.288 6.003 1.00 0.00 C ATOM 502 CG LYS A 33 -10.658 -0.734 6.327 1.00 0.00 C ATOM 503 CD LYS A 33 -10.636 -2.147 6.924 1.00 0.00 C ATOM 504 CE LYS A 33 -12.045 -2.656 7.244 1.00 0.00 C ATOM 505 NZ LYS A 33 -12.689 -1.864 8.306 1.00 0.00 N ATOM 506 H LYS A 33 -7.104 0.695 5.240 1.00 0.00 H ATOM 507 HA LYS A 33 -9.766 1.084 4.442 1.00 0.00 H ATOM 508 HB2 LYS A 33 -8.786 -1.009 5.315 1.00 0.00 H ATOM 509 HB3 LYS A 33 -8.647 -0.285 6.925 1.00 0.00 H ATOM 510 HG2 LYS A 33 -11.102 -0.042 7.043 1.00 0.00 H ATOM 511 HG3 LYS A 33 -11.254 -0.733 5.412 1.00 0.00 H ATOM 512 HD2 LYS A 33 -10.179 -2.829 6.204 1.00 0.00 H ATOM 513 HD3 LYS A 33 -10.035 -2.152 7.834 1.00 0.00 H ATOM 514 HE2 LYS A 33 -12.662 -2.621 6.346 1.00 0.00 H ATOM 515 HE3 LYS A 33 -11.977 -3.691 7.581 1.00 0.00 H ATOM 516 HZ1 LYS A 33 -12.121 -1.891 9.141 1.00 0.00 H ATOM 517 HZ2 LYS A 33 -12.793 -0.906 8.002 1.00 0.00 H ATOM 518 HZ3 LYS A 33 -13.601 -2.250 8.508 1.00 0.00 H ATOM 519 N ASP A 34 -8.967 2.546 7.323 1.00 0.00 N ATOM 520 CA ASP A 34 -9.345 3.560 8.296 1.00 0.00 C ATOM 521 C ASP A 34 -9.417 4.945 7.648 1.00 0.00 C ATOM 522 O ASP A 34 -10.365 5.687 7.894 1.00 0.00 O ATOM 523 CB ASP A 34 -8.344 3.543 9.457 1.00 0.00 C ATOM 524 CG ASP A 34 -8.775 4.488 10.576 1.00 0.00 C ATOM 525 OD1 ASP A 34 -9.608 4.050 11.399 1.00 0.00 O ATOM 526 OD2 ASP A 34 -8.270 5.631 10.588 1.00 0.00 O ATOM 527 H ASP A 34 -8.073 2.090 7.447 1.00 0.00 H ATOM 528 HA ASP A 34 -10.329 3.304 8.693 1.00 0.00 H ATOM 529 HB2 ASP A 34 -8.282 2.532 9.863 1.00 0.00 H ATOM 530 HB3 ASP A 34 -7.355 3.832 9.099 1.00 0.00 H ATOM 531 N ASP A 35 -8.410 5.285 6.833 1.00 0.00 N ATOM 532 CA ASP A 35 -8.261 6.579 6.182 1.00 0.00 C ATOM 533 C ASP A 35 -8.284 6.394 4.660 1.00 0.00 C ATOM 534 O ASP A 35 -7.228 6.442 4.029 1.00 0.00 O ATOM 535 CB ASP A 35 -6.947 7.228 6.638 1.00 0.00 C ATOM 536 CG ASP A 35 -6.888 7.417 8.150 1.00 0.00 C ATOM 537 OD1 ASP A 35 -7.602 8.319 8.638 1.00 0.00 O ATOM 538 OD2 ASP A 35 -6.122 6.662 8.788 1.00 0.00 O ATOM 539 H ASP A 35 -7.670 4.613 6.680 1.00 0.00 H ATOM 540 HA ASP A 35 -9.057 7.262 6.477 1.00 0.00 H ATOM 541 HB2 ASP A 35 -6.099 6.617 6.327 1.00 0.00 H ATOM 542 HB3 ASP A 35 -6.865 8.206 6.165 1.00 0.00 H ATOM 543 N PRO A 36 -9.464 6.199 4.044 1.00 0.00 N ATOM 544 CA PRO A 36 -9.585 6.027 2.601 1.00 0.00 C ATOM 545 C PRO A 36 -9.168 7.295 1.852 1.00 0.00 C ATOM 546 O PRO A 36 -8.645 7.211 0.743 1.00 0.00 O ATOM 547 CB PRO A 36 -11.048 5.656 2.350 1.00 0.00 C ATOM 548 CG PRO A 36 -11.781 6.294 3.529 1.00 0.00 C ATOM 549 CD PRO A 36 -10.775 6.159 4.671 1.00 0.00 C ATOM 550 HA PRO A 36 -8.950 5.205 2.268 1.00 0.00 H ATOM 551 HB2 PRO A 36 -11.420 6.014 1.390 1.00 0.00 H ATOM 552 HB3 PRO A 36 -11.156 4.572 2.411 1.00 0.00 H ATOM 553 HG2 PRO A 36 -11.955 7.350 3.318 1.00 0.00 H ATOM 554 HG3 PRO A 36 -12.725 5.794 3.748 1.00 0.00 H ATOM 555 HD2 PRO A 36 -10.931 6.968 5.383 1.00 0.00 H ATOM 556 HD3 PRO A 36 -10.909 5.194 5.159 1.00 0.00 H ATOM 557 N SER A 37 -9.363 8.466 2.471 1.00 0.00 N ATOM 558 CA SER A 37 -8.851 9.738 1.980 1.00 0.00 C ATOM 559 C SER A 37 -7.335 9.687 1.754 1.00 0.00 C ATOM 560 O SER A 37 -6.843 10.235 0.769 1.00 0.00 O ATOM 561 CB SER A 37 -9.223 10.851 2.967 1.00 0.00 C ATOM 562 OG SER A 37 -8.737 10.563 4.264 1.00 0.00 O ATOM 563 H SER A 37 -9.820 8.468 3.370 1.00 0.00 H ATOM 564 HA SER A 37 -9.333 9.959 1.026 1.00 0.00 H ATOM 565 HB2 SER A 37 -8.794 11.794 2.625 1.00 0.00 H ATOM 566 HB3 SER A 37 -10.308 10.955 3.009 1.00 0.00 H ATOM 567 HG SER A 37 -9.216 9.811 4.618 1.00 0.00 H ATOM 568 N GLN A 38 -6.598 9.021 2.654 1.00 0.00 N ATOM 569 CA GLN A 38 -5.142 8.966 2.641 1.00 0.00 C ATOM 570 C GLN A 38 -4.624 7.783 1.813 1.00 0.00 C ATOM 571 O GLN A 38 -3.629 7.164 2.186 1.00 0.00 O ATOM 572 CB GLN A 38 -4.634 8.905 4.089 1.00 0.00 C ATOM 573 CG GLN A 38 -4.964 10.182 4.870 1.00 0.00 C ATOM 574 CD GLN A 38 -4.288 10.170 6.239 1.00 0.00 C ATOM 575 OE1 GLN A 38 -3.062 10.191 6.323 1.00 0.00 O ATOM 576 NE2 GLN A 38 -5.076 10.134 7.316 1.00 0.00 N ATOM 577 H GLN A 38 -7.070 8.546 3.411 1.00 0.00 H ATOM 578 HA GLN A 38 -4.744 9.876 2.189 1.00 0.00 H ATOM 579 HB2 GLN A 38 -5.063 8.040 4.593 1.00 0.00 H ATOM 580 HB3 GLN A 38 -3.554 8.790 4.090 1.00 0.00 H ATOM 581 HG2 GLN A 38 -4.592 11.045 4.317 1.00 0.00 H ATOM 582 HG3 GLN A 38 -6.043 10.282 4.984 1.00 0.00 H ATOM 583 HE21 GLN A 38 -6.081 10.121 7.214 1.00 0.00 H ATOM 584 HE22 GLN A 38 -4.661 10.122 8.236 1.00 0.00 H ATOM 585 N SER A 39 -5.254 7.491 0.667 1.00 0.00 N ATOM 586 CA SER A 39 -4.780 6.466 -0.257 1.00 0.00 C ATOM 587 C SER A 39 -3.356 6.782 -0.720 1.00 0.00 C ATOM 588 O SER A 39 -2.475 5.929 -0.632 1.00 0.00 O ATOM 589 CB SER A 39 -5.724 6.357 -1.460 1.00 0.00 C ATOM 590 OG SER A 39 -6.968 5.828 -1.061 1.00 0.00 O ATOM 591 H SER A 39 -6.064 8.033 0.400 1.00 0.00 H ATOM 592 HA SER A 39 -4.770 5.504 0.258 1.00 0.00 H ATOM 593 HB2 SER A 39 -5.873 7.336 -1.918 1.00 0.00 H ATOM 594 HB3 SER A 39 -5.293 5.683 -2.200 1.00 0.00 H ATOM 595 HG SER A 39 -7.354 6.398 -0.390 1.00 0.00 H ATOM 596 N ALA A 40 -3.137 8.013 -1.200 1.00 0.00 N ATOM 597 CA ALA A 40 -1.855 8.478 -1.711 1.00 0.00 C ATOM 598 C ALA A 40 -0.762 8.433 -0.639 1.00 0.00 C ATOM 599 O ALA A 40 0.351 7.995 -0.919 1.00 0.00 O ATOM 600 CB ALA A 40 -2.014 9.897 -2.263 1.00 0.00 C ATOM 601 H ALA A 40 -3.911 8.661 -1.228 1.00 0.00 H ATOM 602 HA ALA A 40 -1.559 7.829 -2.537 1.00 0.00 H ATOM 603 HB1 ALA A 40 -2.764 9.902 -3.055 1.00 0.00 H ATOM 604 HB2 ALA A 40 -2.327 10.576 -1.469 1.00 0.00 H ATOM 605 HB3 ALA A 40 -1.063 10.239 -2.672 1.00 0.00 H ATOM 606 N ASN A 41 -1.073 8.891 0.580 1.00 0.00 N ATOM 607 CA ASN A 41 -0.118 8.921 1.680 1.00 0.00 C ATOM 608 C ASN A 41 0.294 7.500 2.066 1.00 0.00 C ATOM 609 O ASN A 41 1.483 7.195 2.078 1.00 0.00 O ATOM 610 CB ASN A 41 -0.717 9.677 2.872 1.00 0.00 C ATOM 611 CG ASN A 41 0.237 9.750 4.065 1.00 0.00 C ATOM 612 OD1 ASN A 41 1.454 9.760 3.898 1.00 0.00 O ATOM 613 ND2 ASN A 41 -0.312 9.805 5.280 1.00 0.00 N ATOM 614 H ASN A 41 -2.008 9.230 0.753 1.00 0.00 H ATOM 615 HA ASN A 41 0.768 9.465 1.345 1.00 0.00 H ATOM 616 HB2 ASN A 41 -0.971 10.692 2.567 1.00 0.00 H ATOM 617 HB3 ASN A 41 -1.628 9.167 3.176 1.00 0.00 H ATOM 618 HD21 ASN A 41 -1.318 9.812 5.397 1.00 0.00 H ATOM 619 HD22 ASN A 41 0.288 9.842 6.091 1.00 0.00 H ATOM 620 N VAL A 42 -0.684 6.632 2.356 1.00 0.00 N ATOM 621 CA VAL A 42 -0.447 5.236 2.711 1.00 0.00 C ATOM 622 C VAL A 42 0.370 4.532 1.624 1.00 0.00 C ATOM 623 O VAL A 42 1.330 3.832 1.941 1.00 0.00 O ATOM 624 CB VAL A 42 -1.789 4.537 2.987 1.00 0.00 C ATOM 625 CG1 VAL A 42 -1.630 3.018 3.118 1.00 0.00 C ATOM 626 CG2 VAL A 42 -2.399 5.067 4.293 1.00 0.00 C ATOM 627 H VAL A 42 -1.645 6.943 2.307 1.00 0.00 H ATOM 628 HA VAL A 42 0.140 5.210 3.630 1.00 0.00 H ATOM 629 HB VAL A 42 -2.476 4.734 2.163 1.00 0.00 H ATOM 630 HG11 VAL A 42 -0.896 2.783 3.889 1.00 0.00 H ATOM 631 HG12 VAL A 42 -2.588 2.584 3.395 1.00 0.00 H ATOM 632 HG13 VAL A 42 -1.317 2.576 2.172 1.00 0.00 H ATOM 633 HG21 VAL A 42 -2.496 6.151 4.267 1.00 0.00 H ATOM 634 HG22 VAL A 42 -3.387 4.632 4.442 1.00 0.00 H ATOM 635 HG23 VAL A 42 -1.762 4.796 5.136 1.00 0.00 H ATOM 636 N LEU A 43 0.008 4.736 0.351 1.00 0.00 N ATOM 637 CA LEU A 43 0.737 4.208 -0.794 1.00 0.00 C ATOM 638 C LEU A 43 2.198 4.669 -0.767 1.00 0.00 C ATOM 639 O LEU A 43 3.100 3.846 -0.904 1.00 0.00 O ATOM 640 CB LEU A 43 0.024 4.636 -2.086 1.00 0.00 C ATOM 641 CG LEU A 43 0.753 4.240 -3.380 1.00 0.00 C ATOM 642 CD1 LEU A 43 0.976 2.728 -3.461 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.081 4.697 -4.583 1.00 0.00 C ATOM 644 H LEU A 43 -0.800 5.314 0.161 1.00 0.00 H ATOM 645 HA LEU A 43 0.712 3.119 -0.728 1.00 0.00 H ATOM 646 HB2 LEU A 43 -0.970 4.189 -2.093 1.00 0.00 H ATOM 647 HB3 LEU A 43 -0.089 5.720 -2.085 1.00 0.00 H ATOM 648 HG LEU A 43 1.719 4.743 -3.431 1.00 0.00 H ATOM 649 HD11 LEU A 43 0.032 2.212 -3.298 1.00 0.00 H ATOM 650 HD12 LEU A 43 1.371 2.468 -4.443 1.00 0.00 H ATOM 651 HD13 LEU A 43 1.691 2.408 -2.706 1.00 0.00 H ATOM 652 HD21 LEU A 43 -0.229 5.777 -4.541 1.00 0.00 H ATOM 653 HD22 LEU A 43 0.439 4.450 -5.509 1.00 0.00 H ATOM 654 HD23 LEU A 43 -1.053 4.203 -4.578 1.00 0.00 H ATOM 655 N GLY A 44 2.429 5.974 -0.584 1.00 0.00 N ATOM 656 CA GLY A 44 3.758 6.565 -0.528 1.00 0.00 C ATOM 657 C GLY A 44 4.612 5.949 0.580 1.00 0.00 C ATOM 658 O GLY A 44 5.736 5.521 0.327 1.00 0.00 O ATOM 659 H GLY A 44 1.639 6.598 -0.477 1.00 0.00 H ATOM 660 HA2 GLY A 44 4.251 6.427 -1.492 1.00 0.00 H ATOM 661 HA3 GLY A 44 3.656 7.634 -0.339 1.00 0.00 H ATOM 662 N GLU A 45 4.073 5.900 1.803 1.00 0.00 N ATOM 663 CA GLU A 45 4.738 5.343 2.974 1.00 0.00 C ATOM 664 C GLU A 45 5.096 3.873 2.748 1.00 0.00 C ATOM 665 O GLU A 45 6.225 3.465 3.009 1.00 0.00 O ATOM 666 CB GLU A 45 3.829 5.491 4.200 1.00 0.00 C ATOM 667 CG GLU A 45 3.638 6.957 4.606 1.00 0.00 C ATOM 668 CD GLU A 45 2.556 7.091 5.673 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.371 6.927 5.308 1.00 0.00 O ATOM 670 OE2 GLU A 45 2.930 7.349 6.838 1.00 0.00 O ATOM 671 H GLU A 45 3.139 6.267 1.929 1.00 0.00 H ATOM 672 HA GLU A 45 5.659 5.901 3.155 1.00 0.00 H ATOM 673 HB2 GLU A 45 2.861 5.038 3.983 1.00 0.00 H ATOM 674 HB3 GLU A 45 4.283 4.965 5.040 1.00 0.00 H ATOM 675 HG2 GLU A 45 4.582 7.346 4.990 1.00 0.00 H ATOM 676 HG3 GLU A 45 3.349 7.561 3.748 1.00 0.00 H ATOM 677 N ALA A 46 4.135 3.083 2.256 1.00 0.00 N ATOM 678 CA ALA A 46 4.327 1.671 1.966 1.00 0.00 C ATOM 679 C ALA A 46 5.418 1.464 0.916 1.00 0.00 C ATOM 680 O ALA A 46 6.290 0.618 1.099 1.00 0.00 O ATOM 681 CB ALA A 46 3.001 1.051 1.524 1.00 0.00 C ATOM 682 H ALA A 46 3.224 3.479 2.067 1.00 0.00 H ATOM 683 HA ALA A 46 4.642 1.172 2.881 1.00 0.00 H ATOM 684 HB1 ALA A 46 2.242 1.223 2.288 1.00 0.00 H ATOM 685 HB2 ALA A 46 2.671 1.499 0.586 1.00 0.00 H ATOM 686 HB3 ALA A 46 3.125 -0.023 1.388 1.00 0.00 H ATOM 687 N GLN A 47 5.378 2.243 -0.172 1.00 0.00 N ATOM 688 CA GLN A 47 6.355 2.172 -1.249 1.00 0.00 C ATOM 689 C GLN A 47 7.752 2.530 -0.742 1.00 0.00 C ATOM 690 O GLN A 47 8.721 1.877 -1.121 1.00 0.00 O ATOM 691 CB GLN A 47 5.922 3.087 -2.405 1.00 0.00 C ATOM 692 CG GLN A 47 6.872 3.039 -3.611 1.00 0.00 C ATOM 693 CD GLN A 47 6.975 1.643 -4.226 1.00 0.00 C ATOM 694 OE1 GLN A 47 6.223 1.308 -5.138 1.00 0.00 O ATOM 695 NE2 GLN A 47 7.912 0.827 -3.738 1.00 0.00 N ATOM 696 H GLN A 47 4.634 2.921 -0.259 1.00 0.00 H ATOM 697 HA GLN A 47 6.367 1.142 -1.603 1.00 0.00 H ATOM 698 HB2 GLN A 47 4.927 2.796 -2.740 1.00 0.00 H ATOM 699 HB3 GLN A 47 5.874 4.116 -2.047 1.00 0.00 H ATOM 700 HG2 GLN A 47 6.485 3.719 -4.371 1.00 0.00 H ATOM 701 HG3 GLN A 47 7.864 3.391 -3.326 1.00 0.00 H ATOM 702 HE21 GLN A 47 8.497 1.134 -2.971 1.00 0.00 H ATOM 703 HE22 GLN A 47 8.014 -0.101 -4.123 1.00 0.00 H ATOM 704 N LYS A 48 7.856 3.555 0.111 1.00 0.00 N ATOM 705 CA LYS A 48 9.112 3.969 0.717 1.00 0.00 C ATOM 706 C LYS A 48 9.680 2.846 1.589 1.00 0.00 C ATOM 707 O LYS A 48 10.866 2.536 1.495 1.00 0.00 O ATOM 708 CB LYS A 48 8.892 5.261 1.516 1.00 0.00 C ATOM 709 CG LYS A 48 10.206 5.805 2.088 1.00 0.00 C ATOM 710 CD LYS A 48 9.957 7.130 2.820 1.00 0.00 C ATOM 711 CE LYS A 48 11.256 7.729 3.370 1.00 0.00 C ATOM 712 NZ LYS A 48 11.861 6.879 4.410 1.00 0.00 N ATOM 713 H LYS A 48 7.021 4.066 0.367 1.00 0.00 H ATOM 714 HA LYS A 48 9.821 4.185 -0.083 1.00 0.00 H ATOM 715 HB2 LYS A 48 8.461 6.013 0.852 1.00 0.00 H ATOM 716 HB3 LYS A 48 8.195 5.078 2.334 1.00 0.00 H ATOM 717 HG2 LYS A 48 10.626 5.080 2.785 1.00 0.00 H ATOM 718 HG3 LYS A 48 10.913 5.969 1.274 1.00 0.00 H ATOM 719 HD2 LYS A 48 9.517 7.843 2.121 1.00 0.00 H ATOM 720 HD3 LYS A 48 9.257 6.969 3.641 1.00 0.00 H ATOM 721 HE2 LYS A 48 11.970 7.866 2.558 1.00 0.00 H ATOM 722 HE3 LYS A 48 11.035 8.703 3.809 1.00 0.00 H ATOM 723 HZ1 LYS A 48 11.203 6.747 5.164 1.00 0.00 H ATOM 724 HZ2 LYS A 48 12.106 5.982 4.016 1.00 0.00 H ATOM 725 HZ3 LYS A 48 12.694 7.325 4.766 1.00 0.00 H ATOM 726 N LEU A 49 8.839 2.234 2.432 1.00 0.00 N ATOM 727 CA LEU A 49 9.264 1.166 3.326 1.00 0.00 C ATOM 728 C LEU A 49 9.696 -0.072 2.527 1.00 0.00 C ATOM 729 O LEU A 49 10.704 -0.695 2.850 1.00 0.00 O ATOM 730 CB LEU A 49 8.162 0.857 4.352 1.00 0.00 C ATOM 731 CG LEU A 49 8.742 0.258 5.645 1.00 0.00 C ATOM 732 CD1 LEU A 49 9.329 1.350 6.548 1.00 0.00 C ATOM 733 CD2 LEU A 49 7.660 -0.477 6.439 1.00 0.00 C ATOM 734 H LEU A 49 7.873 2.535 2.473 1.00 0.00 H ATOM 735 HA LEU A 49 10.128 1.541 3.869 1.00 0.00 H ATOM 736 HB2 LEU A 49 7.629 1.773 4.613 1.00 0.00 H ATOM 737 HB3 LEU A 49 7.446 0.169 3.905 1.00 0.00 H ATOM 738 HG LEU A 49 9.528 -0.454 5.398 1.00 0.00 H ATOM 739 HD11 LEU A 49 8.547 2.059 6.820 1.00 0.00 H ATOM 740 HD12 LEU A 49 9.727 0.895 7.456 1.00 0.00 H ATOM 741 HD13 LEU A 49 10.137 1.881 6.048 1.00 0.00 H ATOM 742 HD21 LEU A 49 6.854 0.208 6.699 1.00 0.00 H ATOM 743 HD22 LEU A 49 7.262 -1.300 5.849 1.00 0.00 H ATOM 744 HD23 LEU A 49 8.089 -0.880 7.356 1.00 0.00 H ATOM 745 N ASN A 50 8.960 -0.406 1.460 1.00 0.00 N ATOM 746 CA ASN A 50 9.303 -1.479 0.534 1.00 0.00 C ATOM 747 C ASN A 50 10.658 -1.208 -0.127 1.00 0.00 C ATOM 748 O ASN A 50 11.520 -2.084 -0.159 1.00 0.00 O ATOM 749 CB ASN A 50 8.186 -1.618 -0.511 1.00 0.00 C ATOM 750 CG ASN A 50 8.498 -2.674 -1.572 1.00 0.00 C ATOM 751 OD1 ASN A 50 8.167 -3.847 -1.412 1.00 0.00 O ATOM 752 ND2 ASN A 50 9.133 -2.258 -2.670 1.00 0.00 N ATOM 753 H ASN A 50 8.133 0.138 1.255 1.00 0.00 H ATOM 754 HA ASN A 50 9.365 -2.413 1.095 1.00 0.00 H ATOM 755 HB2 ASN A 50 7.261 -1.889 -0.004 1.00 0.00 H ATOM 756 HB3 ASN A 50 8.025 -0.661 -1.006 1.00 0.00 H ATOM 757 HD21 ASN A 50 9.398 -1.289 -2.766 1.00 0.00 H ATOM 758 HD22 ASN A 50 9.364 -2.924 -3.392 1.00 0.00 H ATOM 759 N ASP A 51 10.837 0.003 -0.664 1.00 0.00 N ATOM 760 CA ASP A 51 12.039 0.412 -1.375 1.00 0.00 C ATOM 761 C ASP A 51 13.268 0.342 -0.465 1.00 0.00 C ATOM 762 O ASP A 51 14.280 -0.243 -0.842 1.00 0.00 O ATOM 763 CB ASP A 51 11.837 1.824 -1.938 1.00 0.00 C ATOM 764 CG ASP A 51 13.070 2.304 -2.697 1.00 0.00 C ATOM 765 OD1 ASP A 51 13.219 1.883 -3.864 1.00 0.00 O ATOM 766 OD2 ASP A 51 13.844 3.079 -2.094 1.00 0.00 O ATOM 767 H ASP A 51 10.089 0.678 -0.590 1.00 0.00 H ATOM 768 HA ASP A 51 12.188 -0.269 -2.214 1.00 0.00 H ATOM 769 HB2 ASP A 51 10.987 1.820 -2.620 1.00 0.00 H ATOM 770 HB3 ASP A 51 11.625 2.520 -1.125 1.00 0.00 H ATOM 771 N SER A 52 13.178 0.931 0.732 1.00 0.00 N ATOM 772 CA SER A 52 14.263 0.933 1.705 1.00 0.00 C ATOM 773 C SER A 52 14.641 -0.486 2.147 1.00 0.00 C ATOM 774 O SER A 52 15.816 -0.747 2.397 1.00 0.00 O ATOM 775 CB SER A 52 13.897 1.823 2.897 1.00 0.00 C ATOM 776 OG SER A 52 12.695 1.395 3.495 1.00 0.00 O ATOM 777 H SER A 52 12.318 1.399 0.982 1.00 0.00 H ATOM 778 HA SER A 52 15.140 1.377 1.230 1.00 0.00 H ATOM 779 HB2 SER A 52 14.699 1.789 3.636 1.00 0.00 H ATOM 780 HB3 SER A 52 13.775 2.853 2.558 1.00 0.00 H ATOM 781 HG SER A 52 11.980 1.514 2.862 1.00 0.00 H ATOM 782 N GLN A 53 13.667 -1.405 2.209 1.00 0.00 N ATOM 783 CA GLN A 53 13.899 -2.800 2.571 1.00 0.00 C ATOM 784 C GLN A 53 14.221 -3.671 1.347 1.00 0.00 C ATOM 785 O GLN A 53 14.256 -4.895 1.472 1.00 0.00 O ATOM 786 CB GLN A 53 12.666 -3.346 3.306 1.00 0.00 C ATOM 787 CG GLN A 53 12.458 -2.674 4.670 1.00 0.00 C ATOM 788 CD GLN A 53 11.200 -3.205 5.351 1.00 0.00 C ATOM 789 OE1 GLN A 53 11.269 -3.821 6.412 1.00 0.00 O ATOM 790 NE2 GLN A 53 10.041 -2.964 4.739 1.00 0.00 N ATOM 791 H GLN A 53 12.715 -1.127 2.009 1.00 0.00 H ATOM 792 HA GLN A 53 14.747 -2.871 3.254 1.00 0.00 H ATOM 793 HB2 GLN A 53 11.788 -3.204 2.673 1.00 0.00 H ATOM 794 HB3 GLN A 53 12.789 -4.414 3.487 1.00 0.00 H ATOM 795 HG2 GLN A 53 13.320 -2.882 5.304 1.00 0.00 H ATOM 796 HG3 GLN A 53 12.370 -1.593 4.560 1.00 0.00 H ATOM 797 HE21 GLN A 53 10.033 -2.428 3.881 1.00 0.00 H ATOM 798 HE22 GLN A 53 9.180 -3.315 5.139 1.00 0.00 H ATOM 799 N ALA A 54 14.471 -3.078 0.170 1.00 0.00 N ATOM 800 CA ALA A 54 14.808 -3.842 -1.024 1.00 0.00 C ATOM 801 C ALA A 54 16.172 -4.521 -0.857 1.00 0.00 C ATOM 802 O ALA A 54 17.089 -3.907 -0.313 1.00 0.00 O ATOM 803 CB ALA A 54 14.806 -2.930 -2.253 1.00 0.00 C ATOM 804 H ALA A 54 14.440 -2.070 0.090 1.00 0.00 H ATOM 805 HA ALA A 54 14.026 -4.585 -1.155 1.00 0.00 H ATOM 806 HB1 ALA A 54 13.836 -2.443 -2.355 1.00 0.00 H ATOM 807 HB2 ALA A 54 15.584 -2.171 -2.157 1.00 0.00 H ATOM 808 HB3 ALA A 54 14.999 -3.521 -3.149 1.00 0.00 H ATOM 809 N PRO A 55 16.329 -5.776 -1.313 1.00 0.00 N ATOM 810 CA PRO A 55 17.572 -6.521 -1.180 1.00 0.00 C ATOM 811 C PRO A 55 18.670 -5.941 -2.077 1.00 0.00 C ATOM 812 O PRO A 55 19.822 -5.850 -1.659 1.00 0.00 O ATOM 813 CB PRO A 55 17.225 -7.964 -1.558 1.00 0.00 C ATOM 814 CG PRO A 55 16.044 -7.812 -2.516 1.00 0.00 C ATOM 815 CD PRO A 55 15.313 -6.586 -1.968 1.00 0.00 C ATOM 816 HA PRO A 55 17.914 -6.501 -0.144 1.00 0.00 H ATOM 817 HB2 PRO A 55 18.062 -8.497 -2.013 1.00 0.00 H ATOM 818 HB3 PRO A 55 16.888 -8.495 -0.666 1.00 0.00 H ATOM 819 HG2 PRO A 55 16.411 -7.604 -3.521 1.00 0.00 H ATOM 820 HG3 PRO A 55 15.407 -8.698 -2.529 1.00 0.00 H ATOM 821 HD2 PRO A 55 14.823 -6.051 -2.783 1.00 0.00 H ATOM 822 HD3 PRO A 55 14.576 -6.904 -1.228 1.00 0.00 H ATOM 823 N LYS A 56 18.321 -5.551 -3.309 1.00 0.00 N ATOM 824 CA LYS A 56 19.275 -4.985 -4.248 1.00 0.00 C ATOM 825 C LYS A 56 19.901 -6.103 -5.085 1.00 0.00 C ATOM 826 O LYS A 56 19.717 -6.057 -6.321 1.00 0.00 O ATOM 827 CB LYS A 56 20.329 -4.177 -3.476 1.00 0.00 C ATOM 828 CG LYS A 56 21.415 -3.553 -4.366 1.00 0.00 C ATOM 829 CD LYS A 56 20.840 -2.561 -5.388 1.00 0.00 C ATOM 830 CE LYS A 56 21.949 -1.803 -6.128 1.00 0.00 C ATOM 831 NZ LYS A 56 22.747 -2.711 -6.931 1.00 0.00 N ATOM 832 OXT LYS A 56 20.554 -6.981 -4.480 1.00 0.00 O ATOM 833 H LYS A 56 17.360 -5.640 -3.603 1.00 0.00 H ATOM 834 HA LYS A 56 18.721 -4.313 -4.902 1.00 0.00 H ATOM 835 HB2 LYS A 56 19.827 -3.379 -2.927 1.00 0.00 H ATOM 836 HB3 LYS A 56 20.818 -4.830 -2.751 1.00 0.00 H ATOM 837 HG2 LYS A 56 22.108 -3.017 -3.715 1.00 0.00 H ATOM 838 HG3 LYS A 56 21.971 -4.339 -4.878 1.00 0.00 H ATOM 839 HD2 LYS A 56 20.223 -3.084 -6.119 1.00 0.00 H ATOM 840 HD3 LYS A 56 20.220 -1.833 -4.862 1.00 0.00 H ATOM 841 HE2 LYS A 56 21.495 -1.057 -6.781 1.00 0.00 H ATOM 842 HE3 LYS A 56 22.592 -1.294 -5.409 1.00 0.00 H ATOM 843 HZ1 LYS A 56 23.545 -2.272 -7.366 1.00 0.00 H ATOM 844 HZ2 LYS A 56 22.202 -3.275 -7.568 1.00 0.00 H TER 845 LYS A 56 MASTER 71 0 0 3 0 0 0 6 844 1 0 5 END