HEADER APOPTOSIS 16-APR-03 1UCP TITLE NMR STRUCTURE OF THE PYRIN DOMAIN OF HUMAN ASC COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS-ASSOCIATED SPECK-LIKE PROTEIN COMPND 3 CONTAINING A CARD; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: PYRIN DOMAIN; COMPND 6 SYNONYM: PYCARD, ASC; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 TISSUE: LYMPHOCYTES; SOURCE 5 GENE: ASC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: M15; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PQE30 KEYWDS DEATH DOMAIN FOLD EXPDTA NMR, 20 STRUCTURES AUTHOR E.LIEPINSH,R.BARBALS,E.DAHL,A.SHARIPO,E.STAUB,G.OTTING REVDAT 1 04-NOV-03 1UCP 0 JRNL AUTH E.LIEPINSH,R.BARBALS,E.DAHL,A.SHARIPO,E.STAUB, JRNL AUTH 2 G.OTTING JRNL TITL THE DEATH-DOMAIN FOLD OF THE ASC PYRIN DOMAIN, JRNL TITL 2 PRESENTING A BASIS FOR PYRIN/PYRIN RECOGNITION JRNL REF J.MOL.BIOL. V. 332 1155 2003 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPAL 2.6 REMARK 3 AUTHORS : JONES,ZOU,COWAN,KJELDGAARD REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1118 NOE-DERIVED DISTANCE REMARK 3 RESTRAINTS, 206 COUPLING CONSTANTS REMARK 4 REMARK 4 1UCP COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ . REMARK 100 THE RCSB ID CODE IS RCSB005681. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 301 REMARK 210 PH : 3.7 REMARK 210 IONIC STRENGTH : 50MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM PYRIN DOMAIN; 1MM PYRIN REMARK 210 DOMAIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, W1- REMARK 210 DECOUPLED NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS,TARGET REMARK 210 FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 MET A 1 GLY A 2 6 142.12 REMARK 500 MET A 1 GLY A 2 10 -145.41 REMARK 500 MET A 1 GLY A 2 20 149.60 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5780 RELATED DB: BMRB REMARK 900 CHEMICAL SHIFTS DBREF 1UCP A 1 91 UNP Q9ULZ3 ASC_HUMAN 1 91 SEQRES 1 A 91 MET GLY ARG ALA ARG ASP ALA ILE LEU ASP ALA LEU GLU SEQRES 2 A 91 ASN LEU THR ALA GLU GLU LEU LYS LYS PHE LYS LEU LYS SEQRES 3 A 91 LEU LEU SER VAL PRO LEU ARG GLU GLY TYR GLY ARG ILE SEQRES 4 A 91 PRO ARG GLY ALA LEU LEU SER MET ASP ALA LEU ASP LEU SEQRES 5 A 91 THR ASP LYS LEU VAL SER PHE TYR LEU GLU THR TYR GLY SEQRES 6 A 91 ALA GLU LEU THR ALA ASN VAL LEU ARG ASP MET GLY LEU SEQRES 7 A 91 GLN GLU MET ALA GLY GLN LEU GLN ALA ALA THR HIS GLN HELIX 1 1 GLY A 2 LEU A 15 1 14 HELIX 2 2 THR A 16 LEU A 27 1 12 HELIX 3 3 PRO A 40 MET A 47 1 8 HELIX 4 4 ASP A 48 PHE A 59 1 12 HELIX 5 5 LEU A 61 MET A 76 1 16 HELIX 6 6 GLN A 79 GLN A 91 1 13 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N MET A 1 -5.244 15.593 3.588 1.00 1.00 N ATOM 2 CA MET A 1 -6.221 14.494 3.524 1.00 1.00 C ATOM 3 C MET A 1 -6.496 14.200 2.055 1.00 1.00 C ATOM 4 O MET A 1 -5.597 14.390 1.237 1.00 1.00 O ATOM 5 CB MET A 1 -7.441 14.821 4.394 1.00 1.00 C ATOM 6 CG MET A 1 -7.996 13.581 5.099 1.00 1.00 C ATOM 7 SD MET A 1 -9.442 13.985 6.114 1.00 1.00 S ATOM 8 CE MET A 1 -9.819 12.376 6.843 1.00 1.00 C ATOM 9 HA MET A 1 -5.786 13.593 3.933 1.00 1.00 H ATOM 10 HB2 MET A 1 -7.147 15.515 5.182 1.00 1.00 H ATOM 11 HB3 MET A 1 -8.213 15.297 3.790 1.00 1.00 H ATOM 12 HG2 MET A 1 -8.268 12.826 4.363 1.00 1.00 H ATOM 13 HG3 MET A 1 -7.223 13.165 5.746 1.00 1.00 H ATOM 14 HE1 MET A 1 -10.661 12.468 7.523 1.00 1.00 H ATOM 15 HE2 MET A 1 -10.087 11.667 6.062 1.00 1.00 H ATOM 16 HE3 MET A 1 -8.949 12.012 7.390 1.00 1.00 H ATOM 17 H1 MET A 1 -5.695 16.458 3.313 1.00 1.00 H ATOM 18 H2 MET A 1 -4.877 15.679 4.526 1.00 1.00 H ATOM 19 H3 MET A 1 -4.495 15.422 2.932 1.00 1.00 H ATOM 20 N GLY A 2 -7.680 13.694 1.726 1.00 1.00 N ATOM 21 CA GLY A 2 -8.132 13.425 0.365 1.00 1.00 C ATOM 22 C GLY A 2 -8.585 11.978 0.241 1.00 1.00 C ATOM 23 O GLY A 2 -8.186 11.140 1.053 1.00 1.00 O ATOM 24 H GLY A 2 -8.302 13.414 2.472 1.00 1.00 H ATOM 25 HA2 GLY A 2 -8.955 14.093 0.116 1.00 1.00 H ATOM 26 HA3 GLY A 2 -7.320 13.591 -0.340 1.00 1.00 H ATOM 27 N ARG A 3 -9.357 11.667 -0.804 1.00 1.00 N ATOM 28 CA ARG A 3 -9.888 10.325 -1.043 1.00 1.00 C ATOM 29 C ARG A 3 -8.795 9.276 -1.070 1.00 1.00 C ATOM 30 O ARG A 3 -9.040 8.182 -0.582 1.00 1.00 O ATOM 31 CB ARG A 3 -10.657 10.256 -2.366 1.00 1.00 C ATOM 32 CG ARG A 3 -12.020 10.952 -2.311 1.00 1.00 C ATOM 33 CD ARG A 3 -12.752 10.807 -3.653 1.00 1.00 C ATOM 34 NE ARG A 3 -14.212 10.849 -3.474 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.960 11.920 -3.191 1.00 1.00 C ATOM 36 NH1 ARG A 3 -14.400 13.125 -3.122 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.262 11.772 -2.966 1.00 1.00 N ATOM 38 H ARG A 3 -9.583 12.389 -1.482 1.00 1.00 H ATOM 39 HA ARG A 3 -10.564 10.061 -0.228 1.00 1.00 H ATOM 40 HB2 ARG A 3 -10.038 10.675 -3.156 1.00 1.00 H ATOM 41 HB3 ARG A 3 -10.837 9.205 -2.596 1.00 1.00 H ATOM 42 HG2 ARG A 3 -12.610 10.480 -1.525 1.00 1.00 H ATOM 43 HG3 ARG A 3 -11.897 12.009 -2.072 1.00 1.00 H ATOM 44 HD2 ARG A 3 -12.428 11.589 -4.338 1.00 1.00 H ATOM 45 HD3 ARG A 3 -12.503 9.843 -4.098 1.00 1.00 H ATOM 46 HE ARG A 3 -14.644 9.927 -3.453 1.00 1.00 H ATOM 47 HH11 ARG A 3 -13.436 13.263 -3.399 1.00 1.00 H ATOM 48 HH12 ARG A 3 -14.918 13.967 -2.884 1.00 1.00 H ATOM 49 HH21 ARG A 3 -16.731 10.871 -3.077 1.00 1.00 H ATOM 50 HH22 ARG A 3 -16.835 12.567 -2.690 1.00 1.00 H ATOM 51 N ALA A 4 -7.602 9.582 -1.595 1.00 1.00 N ATOM 52 CA ALA A 4 -6.503 8.625 -1.569 1.00 1.00 C ATOM 53 C ALA A 4 -6.217 8.205 -0.134 1.00 1.00 C ATOM 54 O ALA A 4 -6.123 7.020 0.156 1.00 1.00 O ATOM 55 CB ALA A 4 -5.248 9.230 -2.199 1.00 1.00 C ATOM 56 H ALA A 4 -7.454 10.493 -2.012 1.00 1.00 H ATOM 57 HA ALA A 4 -6.796 7.734 -2.128 1.00 1.00 H ATOM 58 HB1 ALA A 4 -5.445 9.511 -3.232 1.00 1.00 H ATOM 59 HB2 ALA A 4 -4.942 10.106 -1.633 1.00 1.00 H ATOM 60 HB3 ALA A 4 -4.441 8.495 -2.177 1.00 1.00 H ATOM 61 N ARG A 5 -6.075 9.174 0.771 1.00 1.00 N ATOM 62 CA ARG A 5 -5.753 8.890 2.162 1.00 1.00 C ATOM 63 C ARG A 5 -6.892 8.093 2.784 1.00 1.00 C ATOM 64 O ARG A 5 -6.641 7.081 3.429 1.00 1.00 O ATOM 65 CB ARG A 5 -5.462 10.184 2.943 1.00 1.00 C ATOM 66 CG ARG A 5 -4.509 11.117 2.190 1.00 1.00 C ATOM 67 CD ARG A 5 -3.645 11.919 3.169 1.00 1.00 C ATOM 68 NE ARG A 5 -2.855 12.932 2.463 1.00 1.00 N ATOM 69 CZ ARG A 5 -1.830 13.635 2.959 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.552 13.617 4.259 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.099 14.363 2.130 1.00 1.00 N ATOM 72 H ARG A 5 -6.347 10.111 0.511 1.00 1.00 H ATOM 73 HA ARG A 5 -4.866 8.256 2.180 1.00 1.00 H ATOM 74 HB2 ARG A 5 -6.391 10.716 3.155 1.00 1.00 H ATOM 75 HB3 ARG A 5 -4.999 9.915 3.890 1.00 1.00 H ATOM 76 HG2 ARG A 5 -3.857 10.528 1.552 1.00 1.00 H ATOM 77 HG3 ARG A 5 -5.091 11.777 1.545 1.00 1.00 H ATOM 78 HD2 ARG A 5 -4.274 12.398 3.916 1.00 1.00 H ATOM 79 HD3 ARG A 5 -2.969 11.231 3.681 1.00 1.00 H ATOM 80 HE ARG A 5 -3.039 13.015 1.463 1.00 1.00 H ATOM 81 HH11 ARG A 5 -2.080 13.043 4.916 1.00 1.00 H ATOM 82 HH12 ARG A 5 -0.819 14.215 4.643 1.00 1.00 H ATOM 83 HH21 ARG A 5 -1.321 14.318 1.124 1.00 1.00 H ATOM 84 HH22 ARG A 5 -0.291 14.913 2.401 1.00 1.00 H ATOM 85 N ASP A 6 -8.129 8.523 2.541 1.00 1.00 N ATOM 86 CA ASP A 6 -9.314 7.916 3.133 1.00 1.00 C ATOM 87 C ASP A 6 -9.399 6.446 2.705 1.00 1.00 C ATOM 88 O ASP A 6 -9.598 5.551 3.528 1.00 1.00 O ATOM 89 CB ASP A 6 -10.581 8.679 2.699 1.00 1.00 C ATOM 90 CG ASP A 6 -10.598 10.185 2.994 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.837 10.665 3.867 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.372 10.908 2.311 1.00 1.00 O ATOM 93 H ASP A 6 -8.268 9.344 1.961 1.00 1.00 H ATOM 94 HA ASP A 6 -9.231 7.965 4.219 1.00 1.00 H ATOM 95 HB2 ASP A 6 -10.716 8.541 1.626 1.00 1.00 H ATOM 96 HB3 ASP A 6 -11.435 8.228 3.201 1.00 1.00 H ATOM 97 N ALA A 7 -9.215 6.194 1.408 1.00 1.00 N ATOM 98 CA ALA A 7 -9.345 4.891 0.789 1.00 1.00 C ATOM 99 C ALA A 7 -8.177 3.965 1.132 1.00 1.00 C ATOM 100 O ALA A 7 -8.398 2.764 1.292 1.00 1.00 O ATOM 101 CB ALA A 7 -9.464 5.077 -0.724 1.00 1.00 C ATOM 102 H ALA A 7 -9.049 6.979 0.789 1.00 1.00 H ATOM 103 HA ALA A 7 -10.264 4.431 1.152 1.00 1.00 H ATOM 104 HB1 ALA A 7 -8.533 5.471 -1.133 1.00 1.00 H ATOM 105 HB2 ALA A 7 -9.688 4.116 -1.174 1.00 1.00 H ATOM 106 HB3 ALA A 7 -10.280 5.767 -0.947 1.00 1.00 H ATOM 107 N ILE A 8 -6.944 4.477 1.225 1.00 1.00 N ATOM 108 CA ILE A 8 -5.795 3.679 1.651 1.00 1.00 C ATOM 109 C ILE A 8 -6.048 3.252 3.098 1.00 1.00 C ATOM 110 O ILE A 8 -5.918 2.068 3.392 1.00 1.00 O ATOM 111 CB ILE A 8 -4.459 4.441 1.462 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.165 4.686 -0.037 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.251 3.712 2.078 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.194 5.856 -0.246 1.00 1.00 C ATOM 115 H ILE A 8 -6.810 5.468 1.052 1.00 1.00 H ATOM 116 HA ILE A 8 -5.761 2.775 1.041 1.00 1.00 H ATOM 117 HB ILE A 8 -4.543 5.394 1.979 1.00 1.00 H ATOM 118 HG12 ILE A 8 -3.752 3.787 -0.491 1.00 1.00 H ATOM 119 HG13 ILE A 8 -5.083 4.911 -0.574 1.00 1.00 H ATOM 120 HG21 ILE A 8 -3.397 3.597 3.151 1.00 1.00 H ATOM 121 HG22 ILE A 8 -3.129 2.731 1.622 1.00 1.00 H ATOM 122 HG23 ILE A 8 -2.340 4.288 1.930 1.00 1.00 H ATOM 123 HD11 ILE A 8 -3.180 6.136 -1.294 1.00 1.00 H ATOM 124 HD12 ILE A 8 -3.521 6.718 0.333 1.00 1.00 H ATOM 125 HD13 ILE A 8 -2.189 5.578 0.061 1.00 1.00 H ATOM 126 N LEU A 9 -6.449 4.173 3.982 1.00 1.00 N ATOM 127 CA LEU A 9 -6.744 3.851 5.376 1.00 1.00 C ATOM 128 C LEU A 9 -7.772 2.729 5.441 1.00 1.00 C ATOM 129 O LEU A 9 -7.532 1.721 6.105 1.00 1.00 O ATOM 130 CB LEU A 9 -7.205 5.119 6.116 1.00 1.00 C ATOM 131 CG LEU A 9 -7.484 4.976 7.626 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.873 4.415 7.949 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.402 4.181 8.370 1.00 1.00 C ATOM 134 H LEU A 9 -6.562 5.137 3.686 1.00 1.00 H ATOM 135 HA LEU A 9 -5.820 3.494 5.829 1.00 1.00 H ATOM 136 HB2 LEU A 9 -6.421 5.863 5.998 1.00 1.00 H ATOM 137 HB3 LEU A 9 -8.094 5.522 5.633 1.00 1.00 H ATOM 138 HG LEU A 9 -7.472 5.987 8.027 1.00 1.00 H ATOM 139 HD11 LEU A 9 -9.033 4.470 9.022 1.00 1.00 H ATOM 140 HD12 LEU A 9 -9.635 5.001 7.434 1.00 1.00 H ATOM 141 HD13 LEU A 9 -8.959 3.376 7.642 1.00 1.00 H ATOM 142 HD21 LEU A 9 -6.454 3.127 8.104 1.00 1.00 H ATOM 143 HD22 LEU A 9 -5.421 4.569 8.105 1.00 1.00 H ATOM 144 HD23 LEU A 9 -6.547 4.277 9.445 1.00 1.00 H ATOM 145 N ASP A 10 -8.884 2.887 4.721 1.00 1.00 N ATOM 146 CA ASP A 10 -9.940 1.880 4.631 1.00 1.00 C ATOM 147 C ASP A 10 -9.387 0.529 4.186 1.00 1.00 C ATOM 148 O ASP A 10 -9.693 -0.491 4.804 1.00 1.00 O ATOM 149 CB ASP A 10 -11.043 2.303 3.648 1.00 1.00 C ATOM 150 CG ASP A 10 -12.090 3.271 4.188 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.277 3.369 5.423 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.827 3.833 3.340 1.00 1.00 O ATOM 153 H ASP A 10 -9.008 3.772 4.236 1.00 1.00 H ATOM 154 HA ASP A 10 -10.375 1.747 5.619 1.00 1.00 H ATOM 155 HB2 ASP A 10 -10.589 2.732 2.757 1.00 1.00 H ATOM 156 HB3 ASP A 10 -11.578 1.409 3.335 1.00 1.00 H ATOM 157 N ALA A 11 -8.575 0.517 3.125 1.00 1.00 N ATOM 158 CA ALA A 11 -7.987 -0.699 2.589 1.00 1.00 C ATOM 159 C ALA A 11 -7.147 -1.387 3.655 1.00 1.00 C ATOM 160 O ALA A 11 -7.401 -2.546 3.968 1.00 1.00 O ATOM 161 CB ALA A 11 -7.170 -0.397 1.328 1.00 1.00 C ATOM 162 H ALA A 11 -8.342 1.405 2.694 1.00 1.00 H ATOM 163 HA ALA A 11 -8.796 -1.375 2.316 1.00 1.00 H ATOM 164 HB1 ALA A 11 -6.596 -1.276 1.042 1.00 1.00 H ATOM 165 HB2 ALA A 11 -7.855 -0.146 0.523 1.00 1.00 H ATOM 166 HB3 ALA A 11 -6.482 0.429 1.500 1.00 1.00 H ATOM 167 N LEU A 12 -6.166 -0.683 4.228 1.00 1.00 N ATOM 168 CA LEU A 12 -5.304 -1.216 5.279 1.00 1.00 C ATOM 169 C LEU A 12 -6.121 -1.783 6.446 1.00 1.00 C ATOM 170 O LEU A 12 -5.816 -2.867 6.940 1.00 1.00 O ATOM 171 CB LEU A 12 -4.298 -0.178 5.782 1.00 1.00 C ATOM 172 CG LEU A 12 -3.013 0.056 4.999 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.040 -1.119 5.169 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.246 0.317 3.532 1.00 1.00 C ATOM 175 H LEU A 12 -6.082 0.296 3.966 1.00 1.00 H ATOM 176 HA LEU A 12 -4.702 -2.004 4.826 1.00 1.00 H ATOM 177 HB2 LEU A 12 -4.814 0.775 5.913 1.00 1.00 H ATOM 178 HB3 LEU A 12 -3.952 -0.510 6.734 1.00 1.00 H ATOM 179 HG LEU A 12 -2.542 0.934 5.440 1.00 1.00 H ATOM 180 HD11 LEU A 12 -2.377 -1.967 4.576 1.00 1.00 H ATOM 181 HD12 LEU A 12 -1.040 -0.845 4.846 1.00 1.00 H ATOM 182 HD13 LEU A 12 -1.970 -1.395 6.220 1.00 1.00 H ATOM 183 HD21 LEU A 12 -3.900 -0.442 3.119 1.00 1.00 H ATOM 184 HD22 LEU A 12 -3.694 1.300 3.474 1.00 1.00 H ATOM 185 HD23 LEU A 12 -2.312 0.308 2.992 1.00 1.00 H ATOM 186 N GLU A 13 -7.160 -1.068 6.881 1.00 1.00 N ATOM 187 CA GLU A 13 -8.092 -1.512 7.909 1.00 1.00 C ATOM 188 C GLU A 13 -8.783 -2.823 7.522 1.00 1.00 C ATOM 189 O GLU A 13 -8.992 -3.683 8.389 1.00 1.00 O ATOM 190 CB GLU A 13 -9.129 -0.434 8.259 1.00 1.00 C ATOM 191 CG GLU A 13 -8.570 0.640 9.203 1.00 1.00 C ATOM 192 CD GLU A 13 -9.664 1.568 9.746 1.00 1.00 C ATOM 193 OE1 GLU A 13 -10.782 1.655 9.181 1.00 1.00 O ATOM 194 OE2 GLU A 13 -9.464 2.188 10.815 1.00 1.00 O ATOM 195 H GLU A 13 -7.320 -0.163 6.452 1.00 1.00 H ATOM 196 HA GLU A 13 -7.500 -1.715 8.797 1.00 1.00 H ATOM 197 HB2 GLU A 13 -9.513 0.030 7.351 1.00 1.00 H ATOM 198 HB3 GLU A 13 -9.962 -0.921 8.770 1.00 1.00 H ATOM 199 HG2 GLU A 13 -8.093 0.144 10.051 1.00 1.00 H ATOM 200 HG3 GLU A 13 -7.815 1.230 8.689 1.00 1.00 H ATOM 201 N ASN A 14 -9.227 -2.957 6.271 1.00 1.00 N ATOM 202 CA ASN A 14 -9.810 -4.167 5.709 1.00 1.00 C ATOM 203 C ASN A 14 -8.820 -5.317 5.508 1.00 1.00 C ATOM 204 O ASN A 14 -9.281 -6.445 5.315 1.00 1.00 O ATOM 205 CB ASN A 14 -10.548 -3.855 4.395 1.00 1.00 C ATOM 206 CG ASN A 14 -11.949 -3.312 4.613 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.248 -2.138 4.423 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.860 -4.177 5.020 1.00 1.00 N ATOM 209 H ASN A 14 -9.064 -2.202 5.609 1.00 1.00 H ATOM 210 HA ASN A 14 -10.552 -4.529 6.422 1.00 1.00 H ATOM 211 HB2 ASN A 14 -9.978 -3.123 3.825 1.00 1.00 H ATOM 212 HB3 ASN A 14 -10.614 -4.753 3.791 1.00 1.00 H ATOM 213 HD21 ASN A 14 -12.595 -5.151 5.151 1.00 1.00 H ATOM 214 HD22 ASN A 14 -13.819 -3.878 5.154 1.00 1.00 H ATOM 215 N LEU A 15 -7.502 -5.099 5.562 1.00 1.00 N ATOM 216 CA LEU A 15 -6.521 -6.168 5.470 1.00 1.00 C ATOM 217 C LEU A 15 -6.324 -6.795 6.847 1.00 1.00 C ATOM 218 O LEU A 15 -6.499 -6.142 7.879 1.00 1.00 O ATOM 219 CB LEU A 15 -5.190 -5.603 4.956 1.00 1.00 C ATOM 220 CG LEU A 15 -5.200 -5.101 3.503 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.812 -4.618 3.088 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.676 -6.170 2.515 1.00 1.00 C ATOM 223 H LEU A 15 -7.127 -4.171 5.705 1.00 1.00 H ATOM 224 HA LEU A 15 -6.881 -6.939 4.788 1.00 1.00 H ATOM 225 HB2 LEU A 15 -4.889 -4.789 5.609 1.00 1.00 H ATOM 226 HB3 LEU A 15 -4.444 -6.377 5.054 1.00 1.00 H ATOM 227 HG LEU A 15 -5.850 -4.241 3.434 1.00 1.00 H ATOM 228 HD11 LEU A 15 -3.491 -3.827 3.760 1.00 1.00 H ATOM 229 HD12 LEU A 15 -3.093 -5.437 3.089 1.00 1.00 H ATOM 230 HD13 LEU A 15 -3.881 -4.179 2.097 1.00 1.00 H ATOM 231 HD21 LEU A 15 -5.550 -5.809 1.498 1.00 1.00 H ATOM 232 HD22 LEU A 15 -5.107 -7.086 2.636 1.00 1.00 H ATOM 233 HD23 LEU A 15 -6.735 -6.375 2.668 1.00 1.00 H ATOM 234 N THR A 16 -5.954 -8.070 6.878 1.00 1.00 N ATOM 235 CA THR A 16 -5.785 -8.854 8.095 1.00 1.00 C ATOM 236 C THR A 16 -4.311 -8.881 8.498 1.00 1.00 C ATOM 237 O THR A 16 -3.464 -8.350 7.786 1.00 1.00 O ATOM 238 CB THR A 16 -6.351 -10.259 7.841 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.594 -10.925 6.852 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.819 -10.217 7.398 1.00 1.00 C ATOM 241 H THR A 16 -5.789 -8.575 6.020 1.00 1.00 H ATOM 242 HA THR A 16 -6.330 -8.393 8.917 1.00 1.00 H ATOM 243 HB THR A 16 -6.291 -10.832 8.762 1.00 1.00 H ATOM 244 HG1 THR A 16 -5.802 -11.876 6.927 1.00 1.00 H ATOM 245 HG21 THR A 16 -8.415 -9.679 8.134 1.00 1.00 H ATOM 246 HG22 THR A 16 -7.925 -9.734 6.426 1.00 1.00 H ATOM 247 HG23 THR A 16 -8.200 -11.231 7.317 1.00 1.00 H ATOM 248 N ALA A 17 -3.975 -9.527 9.616 1.00 1.00 N ATOM 249 CA ALA A 17 -2.592 -9.685 10.050 1.00 1.00 C ATOM 250 C ALA A 17 -1.756 -10.384 8.975 1.00 1.00 C ATOM 251 O ALA A 17 -0.626 -9.962 8.716 1.00 1.00 O ATOM 252 CB ALA A 17 -2.530 -10.472 11.364 1.00 1.00 C ATOM 253 H ALA A 17 -4.722 -9.862 10.205 1.00 1.00 H ATOM 254 HA ALA A 17 -2.181 -8.687 10.210 1.00 1.00 H ATOM 255 HB1 ALA A 17 -1.502 -10.491 11.727 1.00 1.00 H ATOM 256 HB2 ALA A 17 -3.162 -10.004 12.113 1.00 1.00 H ATOM 257 HB3 ALA A 17 -2.868 -11.496 11.208 1.00 1.00 H ATOM 258 N GLU A 18 -2.300 -11.441 8.362 1.00 1.00 N ATOM 259 CA GLU A 18 -1.647 -12.196 7.302 1.00 1.00 C ATOM 260 C GLU A 18 -1.410 -11.309 6.078 1.00 1.00 C ATOM 261 O GLU A 18 -0.300 -11.264 5.531 1.00 1.00 O ATOM 262 CB GLU A 18 -2.506 -13.410 6.910 1.00 1.00 C ATOM 263 CG GLU A 18 -1.655 -14.336 6.032 1.00 1.00 C ATOM 264 CD GLU A 18 -2.371 -15.543 5.442 1.00 1.00 C ATOM 265 OE1 GLU A 18 -3.612 -15.553 5.323 1.00 1.00 O ATOM 266 OE2 GLU A 18 -1.658 -16.468 4.982 1.00 1.00 O ATOM 267 H GLU A 18 -3.211 -11.761 8.675 1.00 1.00 H ATOM 268 HA GLU A 18 -0.687 -12.549 7.676 1.00 1.00 H ATOM 269 HB2 GLU A 18 -2.826 -13.949 7.800 1.00 1.00 H ATOM 270 HB3 GLU A 18 -3.389 -13.077 6.366 1.00 1.00 H ATOM 271 HG2 GLU A 18 -1.246 -13.774 5.192 1.00 1.00 H ATOM 272 HG3 GLU A 18 -0.830 -14.695 6.643 1.00 1.00 H ATOM 273 N GLU A 19 -2.466 -10.623 5.638 1.00 1.00 N ATOM 274 CA GLU A 19 -2.412 -9.799 4.447 1.00 1.00 C ATOM 275 C GLU A 19 -1.467 -8.628 4.704 1.00 1.00 C ATOM 276 O GLU A 19 -0.635 -8.332 3.860 1.00 1.00 O ATOM 277 CB GLU A 19 -3.806 -9.295 4.056 1.00 1.00 C ATOM 278 CG GLU A 19 -4.819 -10.395 3.702 1.00 1.00 C ATOM 279 CD GLU A 19 -4.711 -10.936 2.272 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.599 -11.255 1.798 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.780 -11.146 1.648 1.00 1.00 O ATOM 282 H GLU A 19 -3.350 -10.694 6.129 1.00 1.00 H ATOM 283 HA GLU A 19 -2.013 -10.396 3.626 1.00 1.00 H ATOM 284 HB2 GLU A 19 -4.205 -8.722 4.890 1.00 1.00 H ATOM 285 HB3 GLU A 19 -3.698 -8.628 3.203 1.00 1.00 H ATOM 286 HG2 GLU A 19 -4.726 -11.233 4.392 1.00 1.00 H ATOM 287 HG3 GLU A 19 -5.818 -9.973 3.832 1.00 1.00 H ATOM 288 N LEU A 20 -1.522 -7.986 5.875 1.00 1.00 N ATOM 289 CA LEU A 20 -0.625 -6.887 6.206 1.00 1.00 C ATOM 290 C LEU A 20 0.818 -7.369 6.269 1.00 1.00 C ATOM 291 O LEU A 20 1.694 -6.638 5.828 1.00 1.00 O ATOM 292 CB LEU A 20 -1.047 -6.140 7.489 1.00 1.00 C ATOM 293 CG LEU A 20 -2.301 -5.252 7.314 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.588 -4.401 8.554 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.133 -4.256 6.168 1.00 1.00 C ATOM 296 H LEU A 20 -2.210 -8.276 6.563 1.00 1.00 H ATOM 297 HA LEU A 20 -0.656 -6.195 5.370 1.00 1.00 H ATOM 298 HB2 LEU A 20 -1.219 -6.862 8.289 1.00 1.00 H ATOM 299 HB3 LEU A 20 -0.220 -5.501 7.795 1.00 1.00 H ATOM 300 HG LEU A 20 -3.171 -5.881 7.122 1.00 1.00 H ATOM 301 HD11 LEU A 20 -2.649 -5.041 9.425 1.00 1.00 H ATOM 302 HD12 LEU A 20 -1.811 -3.651 8.703 1.00 1.00 H ATOM 303 HD13 LEU A 20 -3.547 -3.890 8.429 1.00 1.00 H ATOM 304 HD21 LEU A 20 -2.115 -4.777 5.218 1.00 1.00 H ATOM 305 HD22 LEU A 20 -2.986 -3.578 6.160 1.00 1.00 H ATOM 306 HD23 LEU A 20 -1.211 -3.689 6.289 1.00 1.00 H ATOM 307 N LYS A 21 1.097 -8.585 6.745 1.00 1.00 N ATOM 308 CA LYS A 21 2.451 -9.144 6.728 1.00 1.00 C ATOM 309 C LYS A 21 2.967 -9.150 5.288 1.00 1.00 C ATOM 310 O LYS A 21 3.995 -8.544 4.956 1.00 1.00 O ATOM 311 CB LYS A 21 2.393 -10.575 7.280 1.00 1.00 C ATOM 312 CG LYS A 21 3.789 -11.193 7.469 1.00 1.00 C ATOM 313 CD LYS A 21 3.749 -12.611 8.062 1.00 1.00 C ATOM 314 CE LYS A 21 3.133 -12.690 9.463 1.00 1.00 C ATOM 315 NZ LYS A 21 3.092 -14.082 9.954 1.00 1.00 N ATOM 316 H LYS A 21 0.332 -9.153 7.098 1.00 1.00 H ATOM 317 HA LYS A 21 3.106 -8.528 7.343 1.00 1.00 H ATOM 318 HB2 LYS A 21 1.880 -10.558 8.241 1.00 1.00 H ATOM 319 HB3 LYS A 21 1.814 -11.175 6.569 1.00 1.00 H ATOM 320 HG2 LYS A 21 4.289 -11.245 6.502 1.00 1.00 H ATOM 321 HG3 LYS A 21 4.384 -10.551 8.117 1.00 1.00 H ATOM 322 HD2 LYS A 21 3.181 -13.256 7.400 1.00 1.00 H ATOM 323 HD3 LYS A 21 4.772 -12.989 8.105 1.00 1.00 H ATOM 324 HE2 LYS A 21 3.729 -12.083 10.147 1.00 1.00 H ATOM 325 HE3 LYS A 21 2.120 -12.286 9.439 1.00 1.00 H ATOM 326 HZ1 LYS A 21 2.468 -14.659 9.390 1.00 1.00 H ATOM 327 HZ2 LYS A 21 2.747 -14.099 10.913 1.00 1.00 H ATOM 328 HZ3 LYS A 21 2.096 -14.012 10.102 1.00 1.00 H ATOM 329 N LYS A 22 2.226 -9.857 4.430 1.00 1.00 N ATOM 330 CA LYS A 22 2.594 -10.024 3.036 1.00 1.00 C ATOM 331 C LYS A 22 2.664 -8.659 2.362 1.00 1.00 C ATOM 332 O LYS A 22 3.613 -8.435 1.626 1.00 1.00 O ATOM 333 CB LYS A 22 1.605 -10.979 2.359 1.00 1.00 C ATOM 334 CG LYS A 22 1.832 -12.442 2.737 1.00 1.00 C ATOM 335 CD LYS A 22 2.917 -13.112 1.891 1.00 1.00 C ATOM 336 CE LYS A 22 2.885 -14.622 2.128 1.00 1.00 C ATOM 337 NZ LYS A 22 3.896 -15.352 1.337 1.00 1.00 N ATOM 338 H LYS A 22 1.353 -10.265 4.767 1.00 1.00 H ATOM 339 HA LYS A 22 3.594 -10.454 2.987 1.00 1.00 H ATOM 340 HB2 LYS A 22 0.602 -10.716 2.682 1.00 1.00 H ATOM 341 HB3 LYS A 22 1.671 -10.879 1.276 1.00 1.00 H ATOM 342 HG2 LYS A 22 2.110 -12.495 3.784 1.00 1.00 H ATOM 343 HG3 LYS A 22 0.893 -12.980 2.599 1.00 1.00 H ATOM 344 HD2 LYS A 22 2.702 -12.918 0.846 1.00 1.00 H ATOM 345 HD3 LYS A 22 3.896 -12.708 2.150 1.00 1.00 H ATOM 346 HE2 LYS A 22 3.048 -14.823 3.187 1.00 1.00 H ATOM 347 HE3 LYS A 22 1.895 -14.990 1.863 1.00 1.00 H ATOM 348 HZ1 LYS A 22 3.820 -16.348 1.535 1.00 1.00 H ATOM 349 HZ2 LYS A 22 3.707 -15.258 0.343 1.00 1.00 H ATOM 350 HZ3 LYS A 22 4.819 -15.006 1.559 1.00 1.00 H ATOM 351 N PHE A 23 1.748 -7.732 2.648 1.00 1.00 N ATOM 352 CA PHE A 23 1.717 -6.398 2.068 1.00 1.00 C ATOM 353 C PHE A 23 2.982 -5.647 2.423 1.00 1.00 C ATOM 354 O PHE A 23 3.663 -5.132 1.545 1.00 1.00 O ATOM 355 CB PHE A 23 0.498 -5.621 2.572 1.00 1.00 C ATOM 356 CG PHE A 23 0.318 -4.247 1.948 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.302 -4.098 0.546 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.148 -3.113 2.768 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.084 -2.835 -0.029 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.083 -1.854 2.187 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.116 -1.714 0.792 1.00 1.00 C ATOM 362 H PHE A 23 0.968 -7.990 3.241 1.00 1.00 H ATOM 363 HA PHE A 23 1.655 -6.498 0.987 1.00 1.00 H ATOM 364 HB2 PHE A 23 -0.389 -6.208 2.375 1.00 1.00 H ATOM 365 HB3 PHE A 23 0.573 -5.513 3.652 1.00 1.00 H ATOM 366 HD1 PHE A 23 0.453 -4.949 -0.099 1.00 1.00 H ATOM 367 HD2 PHE A 23 0.196 -3.197 3.846 1.00 1.00 H ATOM 368 HE1 PHE A 23 0.051 -2.724 -1.101 1.00 1.00 H ATOM 369 HE2 PHE A 23 -0.219 -0.982 2.803 1.00 1.00 H ATOM 370 HZ PHE A 23 -0.284 -0.741 0.358 1.00 1.00 H ATOM 371 N LYS A 24 3.313 -5.595 3.710 1.00 1.00 N ATOM 372 CA LYS A 24 4.497 -4.929 4.216 1.00 1.00 C ATOM 373 C LYS A 24 5.755 -5.476 3.537 1.00 1.00 C ATOM 374 O LYS A 24 6.662 -4.701 3.252 1.00 1.00 O ATOM 375 CB LYS A 24 4.482 -5.022 5.738 1.00 1.00 C ATOM 376 CG LYS A 24 3.360 -4.149 6.349 1.00 1.00 C ATOM 377 CD LYS A 24 3.239 -4.407 7.851 1.00 1.00 C ATOM 378 CE LYS A 24 2.167 -3.522 8.484 1.00 1.00 C ATOM 379 NZ LYS A 24 2.418 -3.343 9.926 1.00 1.00 N ATOM 380 H LYS A 24 2.696 -6.030 4.389 1.00 1.00 H ATOM 381 HA LYS A 24 4.439 -3.882 3.946 1.00 1.00 H ATOM 382 HB2 LYS A 24 4.362 -6.063 6.042 1.00 1.00 H ATOM 383 HB3 LYS A 24 5.438 -4.670 6.096 1.00 1.00 H ATOM 384 HG2 LYS A 24 3.574 -3.096 6.181 1.00 1.00 H ATOM 385 HG3 LYS A 24 2.402 -4.342 5.872 1.00 1.00 H ATOM 386 HD2 LYS A 24 3.005 -5.456 8.039 1.00 1.00 H ATOM 387 HD3 LYS A 24 4.194 -4.169 8.305 1.00 1.00 H ATOM 388 HE2 LYS A 24 2.192 -2.547 7.999 1.00 1.00 H ATOM 389 HE3 LYS A 24 1.184 -3.966 8.320 1.00 1.00 H ATOM 390 HZ1 LYS A 24 3.241 -2.747 10.041 1.00 1.00 H ATOM 391 HZ2 LYS A 24 1.675 -2.798 10.344 1.00 1.00 H ATOM 392 HZ3 LYS A 24 2.527 -4.241 10.375 1.00 1.00 H ATOM 393 N LEU A 25 5.837 -6.779 3.259 1.00 1.00 N ATOM 394 CA LEU A 25 6.969 -7.315 2.499 1.00 1.00 C ATOM 395 C LEU A 25 6.845 -6.894 1.035 1.00 1.00 C ATOM 396 O LEU A 25 7.829 -6.446 0.453 1.00 1.00 O ATOM 397 CB LEU A 25 6.988 -8.850 2.572 1.00 1.00 C ATOM 398 CG LEU A 25 7.404 -9.400 3.947 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.719 -10.748 4.182 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.926 -9.568 4.021 1.00 1.00 C ATOM 401 H LEU A 25 5.126 -7.411 3.623 1.00 1.00 H ATOM 402 HA LEU A 25 7.906 -6.874 2.859 1.00 1.00 H ATOM 403 HB2 LEU A 25 5.992 -9.214 2.320 1.00 1.00 H ATOM 404 HB3 LEU A 25 7.669 -9.238 1.813 1.00 1.00 H ATOM 405 HG LEU A 25 7.085 -8.713 4.732 1.00 1.00 H ATOM 406 HD11 LEU A 25 6.994 -11.143 5.157 1.00 1.00 H ATOM 407 HD12 LEU A 25 5.638 -10.622 4.167 1.00 1.00 H ATOM 408 HD13 LEU A 25 7.011 -11.454 3.404 1.00 1.00 H ATOM 409 HD21 LEU A 25 9.248 -10.377 3.364 1.00 1.00 H ATOM 410 HD22 LEU A 25 9.427 -8.656 3.702 1.00 1.00 H ATOM 411 HD23 LEU A 25 9.223 -9.801 5.042 1.00 1.00 H ATOM 412 N LYS A 26 5.671 -7.048 0.422 1.00 1.00 N ATOM 413 CA LYS A 26 5.391 -6.790 -0.990 1.00 1.00 C ATOM 414 C LYS A 26 5.715 -5.359 -1.379 1.00 1.00 C ATOM 415 O LYS A 26 6.326 -5.157 -2.427 1.00 1.00 O ATOM 416 CB LYS A 26 3.932 -7.131 -1.304 1.00 1.00 C ATOM 417 CG LYS A 26 3.752 -8.644 -1.477 1.00 1.00 C ATOM 418 CD LYS A 26 3.984 -9.052 -2.926 1.00 1.00 C ATOM 419 CE LYS A 26 3.631 -10.525 -3.088 1.00 1.00 C ATOM 420 NZ LYS A 26 3.660 -10.907 -4.505 1.00 1.00 N ATOM 421 H LYS A 26 4.905 -7.414 0.979 1.00 1.00 H ATOM 422 HA LYS A 26 6.022 -7.444 -1.578 1.00 1.00 H ATOM 423 HB2 LYS A 26 3.290 -6.773 -0.504 1.00 1.00 H ATOM 424 HB3 LYS A 26 3.623 -6.628 -2.220 1.00 1.00 H ATOM 425 HG2 LYS A 26 4.422 -9.199 -0.818 1.00 1.00 H ATOM 426 HG3 LYS A 26 2.733 -8.903 -1.222 1.00 1.00 H ATOM 427 HD2 LYS A 26 3.323 -8.459 -3.560 1.00 1.00 H ATOM 428 HD3 LYS A 26 5.022 -8.879 -3.212 1.00 1.00 H ATOM 429 HE2 LYS A 26 4.340 -11.137 -2.525 1.00 1.00 H ATOM 430 HE3 LYS A 26 2.628 -10.693 -2.693 1.00 1.00 H ATOM 431 HZ1 LYS A 26 3.353 -10.116 -5.078 1.00 1.00 H ATOM 432 HZ2 LYS A 26 4.615 -11.078 -4.795 1.00 1.00 H ATOM 433 HZ3 LYS A 26 3.079 -11.719 -4.655 1.00 1.00 H ATOM 434 N LEU A 27 5.384 -4.401 -0.516 1.00 1.00 N ATOM 435 CA LEU A 27 5.683 -2.975 -0.623 1.00 1.00 C ATOM 436 C LEU A 27 7.177 -2.725 -0.828 1.00 1.00 C ATOM 437 O LEU A 27 7.555 -1.661 -1.326 1.00 1.00 O ATOM 438 CB LEU A 27 5.245 -2.284 0.679 1.00 1.00 C ATOM 439 CG LEU A 27 3.745 -1.963 0.813 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.428 -1.514 2.240 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.351 -0.837 -0.136 1.00 1.00 C ATOM 442 H LEU A 27 4.869 -4.697 0.306 1.00 1.00 H ATOM 443 HA LEU A 27 5.154 -2.550 -1.476 1.00 1.00 H ATOM 444 HB2 LEU A 27 5.543 -2.926 1.507 1.00 1.00 H ATOM 445 HB3 LEU A 27 5.799 -1.349 0.779 1.00 1.00 H ATOM 446 HG LEU A 27 3.142 -2.837 0.581 1.00 1.00 H ATOM 447 HD11 LEU A 27 3.475 -2.371 2.903 1.00 1.00 H ATOM 448 HD12 LEU A 27 4.134 -0.757 2.572 1.00 1.00 H ATOM 449 HD13 LEU A 27 2.417 -1.123 2.294 1.00 1.00 H ATOM 450 HD21 LEU A 27 3.324 -1.227 -1.144 1.00 1.00 H ATOM 451 HD22 LEU A 27 2.357 -0.459 0.096 1.00 1.00 H ATOM 452 HD23 LEU A 27 4.084 -0.034 -0.102 1.00 1.00 H ATOM 453 N LEU A 28 8.028 -3.689 -0.468 1.00 1.00 N ATOM 454 CA LEU A 28 9.469 -3.616 -0.613 1.00 1.00 C ATOM 455 C LEU A 28 9.980 -4.918 -1.263 1.00 1.00 C ATOM 456 O LEU A 28 11.134 -5.300 -1.092 1.00 1.00 O ATOM 457 CB LEU A 28 10.048 -3.338 0.787 1.00 1.00 C ATOM 458 CG LEU A 28 11.469 -2.709 0.831 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.402 -3.460 1.775 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.198 -2.420 -0.494 1.00 1.00 C ATOM 461 H LEU A 28 7.667 -4.534 -0.039 1.00 1.00 H ATOM 462 HA LEU A 28 9.702 -2.788 -1.279 1.00 1.00 H ATOM 463 HB2 LEU A 28 9.390 -2.624 1.289 1.00 1.00 H ATOM 464 HB3 LEU A 28 9.977 -4.271 1.379 1.00 1.00 H ATOM 465 HG LEU A 28 11.326 -1.726 1.275 1.00 1.00 H ATOM 466 HD11 LEU A 28 13.287 -2.853 1.979 1.00 1.00 H ATOM 467 HD12 LEU A 28 11.891 -3.646 2.713 1.00 1.00 H ATOM 468 HD13 LEU A 28 12.701 -4.412 1.342 1.00 1.00 H ATOM 469 HD21 LEU A 28 12.501 -3.342 -0.982 1.00 1.00 H ATOM 470 HD22 LEU A 28 11.573 -1.812 -1.148 1.00 1.00 H ATOM 471 HD23 LEU A 28 13.104 -1.853 -0.288 1.00 1.00 H ATOM 472 N SER A 29 9.122 -5.625 -2.004 1.00 1.00 N ATOM 473 CA SER A 29 9.446 -6.819 -2.770 1.00 1.00 C ATOM 474 C SER A 29 9.503 -6.392 -4.223 1.00 1.00 C ATOM 475 O SER A 29 10.564 -6.469 -4.843 1.00 1.00 O ATOM 476 CB SER A 29 8.405 -7.925 -2.547 1.00 1.00 C ATOM 477 OG SER A 29 8.825 -9.139 -3.137 1.00 1.00 O ATOM 478 H SER A 29 8.189 -5.250 -2.119 1.00 1.00 H ATOM 479 HA SER A 29 10.417 -7.201 -2.475 1.00 1.00 H ATOM 480 HB2 SER A 29 8.264 -8.089 -1.480 1.00 1.00 H ATOM 481 HB3 SER A 29 7.463 -7.619 -3.006 1.00 1.00 H ATOM 482 HG SER A 29 8.116 -9.813 -3.037 1.00 1.00 H ATOM 483 N VAL A 30 8.364 -5.942 -4.758 1.00 1.00 N ATOM 484 CA VAL A 30 8.280 -5.455 -6.117 1.00 1.00 C ATOM 485 C VAL A 30 9.187 -4.210 -6.182 1.00 1.00 C ATOM 486 O VAL A 30 9.008 -3.290 -5.375 1.00 1.00 O ATOM 487 CB VAL A 30 6.794 -5.282 -6.498 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.063 -4.142 -5.781 1.00 1.00 C ATOM 489 CG2 VAL A 30 6.633 -5.155 -8.012 1.00 1.00 C ATOM 490 H VAL A 30 7.548 -5.810 -4.175 1.00 1.00 H ATOM 491 HA VAL A 30 8.685 -6.243 -6.748 1.00 1.00 H ATOM 492 HB VAL A 30 6.283 -6.204 -6.215 1.00 1.00 H ATOM 493 HG11 VAL A 30 6.201 -4.221 -4.705 1.00 1.00 H ATOM 494 HG12 VAL A 30 6.446 -3.177 -6.111 1.00 1.00 H ATOM 495 HG13 VAL A 30 4.996 -4.199 -5.997 1.00 1.00 H ATOM 496 HG21 VAL A 30 5.577 -5.063 -8.268 1.00 1.00 H ATOM 497 HG22 VAL A 30 7.172 -4.282 -8.369 1.00 1.00 H ATOM 498 HG23 VAL A 30 7.026 -6.046 -8.497 1.00 1.00 H ATOM 499 N PRO A 31 10.216 -4.190 -7.050 1.00 1.00 N ATOM 500 CA PRO A 31 11.178 -3.101 -7.084 1.00 1.00 C ATOM 501 C PRO A 31 10.532 -1.814 -7.601 1.00 1.00 C ATOM 502 O PRO A 31 9.876 -1.800 -8.652 1.00 1.00 O ATOM 503 CB PRO A 31 12.326 -3.589 -7.970 1.00 1.00 C ATOM 504 CG PRO A 31 11.662 -4.615 -8.882 1.00 1.00 C ATOM 505 CD PRO A 31 10.584 -5.228 -7.999 1.00 1.00 C ATOM 506 HA PRO A 31 11.554 -2.934 -6.069 1.00 1.00 H ATOM 507 HB2 PRO A 31 12.774 -2.779 -8.545 1.00 1.00 H ATOM 508 HB3 PRO A 31 13.079 -4.083 -7.356 1.00 1.00 H ATOM 509 HG2 PRO A 31 11.189 -4.094 -9.712 1.00 1.00 H ATOM 510 HG3 PRO A 31 12.369 -5.363 -9.241 1.00 1.00 H ATOM 511 HD2 PRO A 31 9.731 -5.530 -8.606 1.00 1.00 H ATOM 512 HD3 PRO A 31 10.992 -6.086 -7.461 1.00 1.00 H ATOM 513 N LEU A 32 10.740 -0.728 -6.860 1.00 1.00 N ATOM 514 CA LEU A 32 10.171 0.584 -7.142 1.00 1.00 C ATOM 515 C LEU A 32 11.043 1.317 -8.160 1.00 1.00 C ATOM 516 O LEU A 32 12.261 1.111 -8.204 1.00 1.00 O ATOM 517 CB LEU A 32 10.152 1.390 -5.833 1.00 1.00 C ATOM 518 CG LEU A 32 9.263 2.646 -5.862 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.780 2.280 -5.754 1.00 1.00 C ATOM 520 CD2 LEU A 32 9.651 3.539 -4.684 1.00 1.00 C ATOM 521 H LEU A 32 11.327 -0.824 -6.045 1.00 1.00 H ATOM 522 HA LEU A 32 9.158 0.463 -7.530 1.00 1.00 H ATOM 523 HB2 LEU A 32 9.820 0.751 -5.014 1.00 1.00 H ATOM 524 HB3 LEU A 32 11.178 1.695 -5.625 1.00 1.00 H ATOM 525 HG LEU A 32 9.421 3.208 -6.778 1.00 1.00 H ATOM 526 HD11 LEU A 32 7.565 1.885 -4.762 1.00 1.00 H ATOM 527 HD12 LEU A 32 7.169 3.161 -5.938 1.00 1.00 H ATOM 528 HD13 LEU A 32 7.513 1.534 -6.503 1.00 1.00 H ATOM 529 HD21 LEU A 32 9.015 4.416 -4.654 1.00 1.00 H ATOM 530 HD22 LEU A 32 9.532 2.995 -3.749 1.00 1.00 H ATOM 531 HD23 LEU A 32 10.684 3.872 -4.792 1.00 1.00 H ATOM 532 N ARG A 33 10.449 2.220 -8.932 1.00 1.00 N ATOM 533 CA ARG A 33 11.175 3.071 -9.868 1.00 1.00 C ATOM 534 C ARG A 33 11.936 4.155 -9.112 1.00 1.00 C ATOM 535 O ARG A 33 11.663 4.425 -7.942 1.00 1.00 O ATOM 536 CB ARG A 33 10.180 3.704 -10.852 1.00 1.00 C ATOM 537 CG ARG A 33 9.676 2.648 -11.838 1.00 1.00 C ATOM 538 CD ARG A 33 8.691 3.258 -12.835 1.00 1.00 C ATOM 539 NE ARG A 33 8.415 2.315 -13.926 1.00 1.00 N ATOM 540 CZ ARG A 33 9.242 2.013 -14.931 1.00 1.00 C ATOM 541 NH1 ARG A 33 10.398 2.652 -15.086 1.00 1.00 N ATOM 542 NH2 ARG A 33 8.902 1.059 -15.781 1.00 1.00 N ATOM 543 H ARG A 33 9.446 2.353 -8.834 1.00 1.00 H ATOM 544 HA ARG A 33 11.900 2.465 -10.413 1.00 1.00 H ATOM 545 HB2 ARG A 33 9.345 4.148 -10.307 1.00 1.00 H ATOM 546 HB3 ARG A 33 10.678 4.496 -11.411 1.00 1.00 H ATOM 547 HG2 ARG A 33 10.534 2.238 -12.371 1.00 1.00 H ATOM 548 HG3 ARG A 33 9.183 1.832 -11.308 1.00 1.00 H ATOM 549 HD2 ARG A 33 7.758 3.492 -12.317 1.00 1.00 H ATOM 550 HD3 ARG A 33 9.098 4.183 -13.245 1.00 1.00 H ATOM 551 HE ARG A 33 7.527 1.820 -13.858 1.00 1.00 H ATOM 552 HH11 ARG A 33 10.645 3.426 -14.475 1.00 1.00 H ATOM 553 HH12 ARG A 33 11.102 2.433 -15.787 1.00 1.00 H ATOM 554 HH21 ARG A 33 8.048 0.517 -15.654 1.00 1.00 H ATOM 555 HH22 ARG A 33 9.494 0.815 -16.566 1.00 1.00 H ATOM 556 N GLU A 34 12.883 4.791 -9.795 1.00 1.00 N ATOM 557 CA GLU A 34 13.709 5.841 -9.222 1.00 1.00 C ATOM 558 C GLU A 34 12.955 7.172 -9.304 1.00 1.00 C ATOM 559 O GLU A 34 12.245 7.455 -10.278 1.00 1.00 O ATOM 560 CB GLU A 34 15.060 5.863 -9.955 1.00 1.00 C ATOM 561 CG GLU A 34 16.066 6.889 -9.405 1.00 1.00 C ATOM 562 CD GLU A 34 16.242 8.082 -10.347 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.045 7.981 -11.304 1.00 1.00 O ATOM 564 OE2 GLU A 34 15.589 9.132 -10.172 1.00 1.00 O ATOM 565 H GLU A 34 13.052 4.514 -10.755 1.00 1.00 H ATOM 566 HA GLU A 34 13.888 5.604 -8.173 1.00 1.00 H ATOM 567 HB2 GLU A 34 15.505 4.874 -9.846 1.00 1.00 H ATOM 568 HB3 GLU A 34 14.896 6.035 -11.021 1.00 1.00 H ATOM 569 HG2 GLU A 34 15.762 7.230 -8.413 1.00 1.00 H ATOM 570 HG3 GLU A 34 17.035 6.399 -9.296 1.00 1.00 H ATOM 571 N GLY A 35 13.106 7.973 -8.251 1.00 1.00 N ATOM 572 CA GLY A 35 12.442 9.240 -8.011 1.00 1.00 C ATOM 573 C GLY A 35 11.833 9.153 -6.626 1.00 1.00 C ATOM 574 O GLY A 35 12.268 9.837 -5.700 1.00 1.00 O ATOM 575 H GLY A 35 13.664 7.649 -7.475 1.00 1.00 H ATOM 576 HA2 GLY A 35 13.166 10.047 -8.020 1.00 1.00 H ATOM 577 HA3 GLY A 35 11.664 9.431 -8.752 1.00 1.00 H ATOM 578 N TYR A 36 10.884 8.237 -6.479 1.00 1.00 N ATOM 579 CA TYR A 36 10.172 7.986 -5.233 1.00 1.00 C ATOM 580 C TYR A 36 11.087 7.341 -4.200 1.00 1.00 C ATOM 581 O TYR A 36 12.255 7.049 -4.472 1.00 1.00 O ATOM 582 CB TYR A 36 8.943 7.126 -5.532 1.00 1.00 C ATOM 583 CG TYR A 36 7.986 7.828 -6.465 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.302 8.977 -6.024 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.883 7.408 -7.803 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.538 9.730 -6.928 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.133 8.168 -8.712 1.00 1.00 C ATOM 588 CZ TYR A 36 6.469 9.338 -8.279 1.00 1.00 C ATOM 589 OH TYR A 36 5.854 10.135 -9.190 1.00 1.00 O ATOM 590 H TYR A 36 10.701 7.640 -7.269 1.00 1.00 H ATOM 591 HA TYR A 36 9.835 8.934 -4.813 1.00 1.00 H ATOM 592 HB2 TYR A 36 9.265 6.186 -5.980 1.00 1.00 H ATOM 593 HB3 TYR A 36 8.426 6.911 -4.600 1.00 1.00 H ATOM 594 HD1 TYR A 36 7.408 9.324 -5.005 1.00 1.00 H ATOM 595 HD2 TYR A 36 8.403 6.527 -8.151 1.00 1.00 H ATOM 596 HE1 TYR A 36 6.068 10.643 -6.602 1.00 1.00 H ATOM 597 HE2 TYR A 36 7.087 7.860 -9.745 1.00 1.00 H ATOM 598 HH TYR A 36 6.465 10.219 -9.947 1.00 1.00 H ATOM 599 N GLY A 37 10.558 7.138 -2.999 1.00 1.00 N ATOM 600 CA GLY A 37 11.287 6.525 -1.894 1.00 1.00 C ATOM 601 C GLY A 37 10.740 5.137 -1.595 1.00 1.00 C ATOM 602 O GLY A 37 9.565 4.872 -1.840 1.00 1.00 O ATOM 603 H GLY A 37 9.570 7.348 -2.894 1.00 1.00 H ATOM 604 HA2 GLY A 37 12.350 6.453 -2.123 1.00 1.00 H ATOM 605 HA3 GLY A 37 11.169 7.151 -1.010 1.00 1.00 H ATOM 606 N ARG A 38 11.552 4.255 -1.011 1.00 1.00 N ATOM 607 CA ARG A 38 11.124 2.926 -0.577 1.00 1.00 C ATOM 608 C ARG A 38 11.046 2.913 0.934 1.00 1.00 C ATOM 609 O ARG A 38 12.023 3.262 1.603 1.00 1.00 O ATOM 610 CB ARG A 38 12.065 1.838 -1.107 1.00 1.00 C ATOM 611 CG ARG A 38 11.719 1.491 -2.556 1.00 1.00 C ATOM 612 CD ARG A 38 12.654 0.421 -3.117 1.00 1.00 C ATOM 613 NE ARG A 38 13.748 1.009 -3.901 1.00 1.00 N ATOM 614 CZ ARG A 38 15.039 0.677 -3.867 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.567 0.008 -2.847 1.00 1.00 N ATOM 616 NH2 ARG A 38 15.795 1.059 -4.890 1.00 1.00 N ATOM 617 H ARG A 38 12.494 4.545 -0.763 1.00 1.00 H ATOM 618 HA ARG A 38 10.125 2.722 -0.964 1.00 1.00 H ATOM 619 HB2 ARG A 38 13.097 2.180 -1.050 1.00 1.00 H ATOM 620 HB3 ARG A 38 11.951 0.939 -0.498 1.00 1.00 H ATOM 621 HG2 ARG A 38 10.700 1.101 -2.580 1.00 1.00 H ATOM 622 HG3 ARG A 38 11.770 2.386 -3.174 1.00 1.00 H ATOM 623 HD2 ARG A 38 13.037 -0.206 -2.312 1.00 1.00 H ATOM 624 HD3 ARG A 38 12.075 -0.212 -3.789 1.00 1.00 H ATOM 625 HE ARG A 38 13.462 1.598 -4.680 1.00 1.00 H ATOM 626 HH11 ARG A 38 15.051 -0.089 -1.970 1.00 1.00 H ATOM 627 HH12 ARG A 38 16.546 -0.269 -2.801 1.00 1.00 H ATOM 628 HH21 ARG A 38 15.325 1.542 -5.661 1.00 1.00 H ATOM 629 HH22 ARG A 38 16.721 0.676 -5.073 1.00 1.00 H ATOM 630 N ILE A 39 9.890 2.558 1.476 1.00 1.00 N ATOM 631 CA ILE A 39 9.709 2.409 2.910 1.00 1.00 C ATOM 632 C ILE A 39 10.199 0.981 3.199 1.00 1.00 C ATOM 633 O ILE A 39 9.615 0.036 2.668 1.00 1.00 O ATOM 634 CB ILE A 39 8.240 2.681 3.313 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.753 4.048 2.765 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.147 2.672 4.847 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.290 4.388 3.069 1.00 1.00 C ATOM 638 H ILE A 39 9.169 2.159 0.878 1.00 1.00 H ATOM 639 HA ILE A 39 10.337 3.141 3.416 1.00 1.00 H ATOM 640 HB ILE A 39 7.605 1.891 2.908 1.00 1.00 H ATOM 641 HG12 ILE A 39 8.385 4.842 3.165 1.00 1.00 H ATOM 642 HG13 ILE A 39 7.847 4.055 1.678 1.00 1.00 H ATOM 643 HG21 ILE A 39 8.529 1.731 5.233 1.00 1.00 H ATOM 644 HG22 ILE A 39 8.726 3.492 5.274 1.00 1.00 H ATOM 645 HG23 ILE A 39 7.110 2.757 5.162 1.00 1.00 H ATOM 646 HD11 ILE A 39 5.644 3.595 2.704 1.00 1.00 H ATOM 647 HD12 ILE A 39 6.135 4.508 4.137 1.00 1.00 H ATOM 648 HD13 ILE A 39 6.022 5.318 2.567 1.00 1.00 H ATOM 649 N PRO A 40 11.301 0.788 3.948 1.00 1.00 N ATOM 650 CA PRO A 40 11.866 -0.536 4.159 1.00 1.00 C ATOM 651 C PRO A 40 10.930 -1.389 5.023 1.00 1.00 C ATOM 652 O PRO A 40 10.083 -0.884 5.766 1.00 1.00 O ATOM 653 CB PRO A 40 13.241 -0.296 4.788 1.00 1.00 C ATOM 654 CG PRO A 40 12.991 0.966 5.595 1.00 1.00 C ATOM 655 CD PRO A 40 12.080 1.777 4.673 1.00 1.00 C ATOM 656 HA PRO A 40 12.005 -1.028 3.200 1.00 1.00 H ATOM 657 HB2 PRO A 40 13.560 -1.115 5.426 1.00 1.00 H ATOM 658 HB3 PRO A 40 13.979 -0.100 4.009 1.00 1.00 H ATOM 659 HG2 PRO A 40 12.448 0.660 6.484 1.00 1.00 H ATOM 660 HG3 PRO A 40 13.912 1.494 5.843 1.00 1.00 H ATOM 661 HD2 PRO A 40 11.447 2.451 5.253 1.00 1.00 H ATOM 662 HD3 PRO A 40 12.690 2.337 3.967 1.00 1.00 H ATOM 663 N ARG A 41 11.116 -2.706 4.984 1.00 1.00 N ATOM 664 CA ARG A 41 10.231 -3.644 5.661 1.00 1.00 C ATOM 665 C ARG A 41 10.266 -3.477 7.173 1.00 1.00 C ATOM 666 O ARG A 41 9.248 -3.712 7.820 1.00 1.00 O ATOM 667 CB ARG A 41 10.569 -5.072 5.212 1.00 1.00 C ATOM 668 CG ARG A 41 9.481 -6.096 5.575 1.00 1.00 C ATOM 669 CD ARG A 41 9.944 -7.116 6.622 1.00 1.00 C ATOM 670 NE ARG A 41 10.099 -6.529 7.965 1.00 1.00 N ATOM 671 CZ ARG A 41 10.689 -7.122 9.009 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.351 -8.266 8.868 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.621 -6.578 10.214 1.00 1.00 N ATOM 674 H ARG A 41 11.909 -3.065 4.462 1.00 1.00 H ATOM 675 HA ARG A 41 9.220 -3.404 5.335 1.00 1.00 H ATOM 676 HB2 ARG A 41 10.665 -5.078 4.125 1.00 1.00 H ATOM 677 HB3 ARG A 41 11.530 -5.370 5.633 1.00 1.00 H ATOM 678 HG2 ARG A 41 8.567 -5.601 5.901 1.00 1.00 H ATOM 679 HG3 ARG A 41 9.234 -6.644 4.669 1.00 1.00 H ATOM 680 HD2 ARG A 41 9.198 -7.908 6.675 1.00 1.00 H ATOM 681 HD3 ARG A 41 10.888 -7.549 6.290 1.00 1.00 H ATOM 682 HE ARG A 41 9.612 -5.648 8.114 1.00 1.00 H ATOM 683 HH11 ARG A 41 11.534 -8.659 7.943 1.00 1.00 H ATOM 684 HH12 ARG A 41 11.873 -8.689 9.632 1.00 1.00 H ATOM 685 HH21 ARG A 41 10.220 -5.670 10.448 1.00 1.00 H ATOM 686 HH22 ARG A 41 10.965 -7.079 11.031 1.00 1.00 H ATOM 687 N GLY A 42 11.399 -3.099 7.761 1.00 1.00 N ATOM 688 CA GLY A 42 11.482 -2.815 9.186 1.00 1.00 C ATOM 689 C GLY A 42 10.489 -1.714 9.538 1.00 1.00 C ATOM 690 O GLY A 42 9.623 -1.911 10.392 1.00 1.00 O ATOM 691 H GLY A 42 12.243 -2.984 7.211 1.00 1.00 H ATOM 692 HA2 GLY A 42 11.246 -3.714 9.751 1.00 1.00 H ATOM 693 HA3 GLY A 42 12.490 -2.489 9.441 1.00 1.00 H ATOM 694 N ALA A 43 10.577 -0.587 8.817 1.00 1.00 N ATOM 695 CA ALA A 43 9.688 0.554 8.985 1.00 1.00 C ATOM 696 C ALA A 43 8.240 0.089 8.886 1.00 1.00 C ATOM 697 O ALA A 43 7.452 0.335 9.799 1.00 1.00 O ATOM 698 CB ALA A 43 10.004 1.648 7.958 1.00 1.00 C ATOM 699 H ALA A 43 11.236 -0.567 8.053 1.00 1.00 H ATOM 700 HA ALA A 43 9.844 0.973 9.976 1.00 1.00 H ATOM 701 HB1 ALA A 43 11.024 2.005 8.088 1.00 1.00 H ATOM 702 HB2 ALA A 43 9.888 1.272 6.948 1.00 1.00 H ATOM 703 HB3 ALA A 43 9.315 2.483 8.098 1.00 1.00 H ATOM 704 N LEU A 44 7.906 -0.631 7.815 1.00 1.00 N ATOM 705 CA LEU A 44 6.546 -1.075 7.551 1.00 1.00 C ATOM 706 C LEU A 44 5.977 -1.938 8.680 1.00 1.00 C ATOM 707 O LEU A 44 4.809 -1.760 9.030 1.00 1.00 O ATOM 708 CB LEU A 44 6.481 -1.773 6.190 1.00 1.00 C ATOM 709 CG LEU A 44 6.656 -0.807 5.003 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.708 -1.611 3.712 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.509 0.209 4.910 1.00 1.00 C ATOM 712 H LEU A 44 8.621 -0.789 7.113 1.00 1.00 H ATOM 713 HA LEU A 44 5.921 -0.191 7.520 1.00 1.00 H ATOM 714 HB2 LEU A 44 7.242 -2.553 6.151 1.00 1.00 H ATOM 715 HB3 LEU A 44 5.513 -2.249 6.095 1.00 1.00 H ATOM 716 HG LEU A 44 7.597 -0.273 5.104 1.00 1.00 H ATOM 717 HD11 LEU A 44 7.559 -2.292 3.726 1.00 1.00 H ATOM 718 HD12 LEU A 44 5.796 -2.189 3.607 1.00 1.00 H ATOM 719 HD13 LEU A 44 6.821 -0.941 2.859 1.00 1.00 H ATOM 720 HD21 LEU A 44 5.557 0.910 5.739 1.00 1.00 H ATOM 721 HD22 LEU A 44 5.597 0.784 3.987 1.00 1.00 H ATOM 722 HD23 LEU A 44 4.545 -0.301 4.926 1.00 1.00 H ATOM 723 N LEU A 45 6.755 -2.859 9.255 1.00 1.00 N ATOM 724 CA LEU A 45 6.305 -3.634 10.418 1.00 1.00 C ATOM 725 C LEU A 45 6.113 -2.755 11.653 1.00 1.00 C ATOM 726 O LEU A 45 5.126 -2.961 12.360 1.00 1.00 O ATOM 727 CB LEU A 45 7.176 -4.867 10.728 1.00 1.00 C ATOM 728 CG LEU A 45 6.913 -6.158 9.918 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.633 -6.847 10.404 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.791 -5.998 8.405 1.00 1.00 C ATOM 731 H LEU A 45 7.714 -2.935 8.932 1.00 1.00 H ATOM 732 HA LEU A 45 5.311 -4.013 10.185 1.00 1.00 H ATOM 733 HB2 LEU A 45 8.214 -4.577 10.576 1.00 1.00 H ATOM 734 HB3 LEU A 45 7.071 -5.109 11.787 1.00 1.00 H ATOM 735 HG LEU A 45 7.744 -6.837 10.108 1.00 1.00 H ATOM 736 HD11 LEU A 45 5.471 -7.769 9.847 1.00 1.00 H ATOM 737 HD12 LEU A 45 5.722 -7.100 11.460 1.00 1.00 H ATOM 738 HD13 LEU A 45 4.764 -6.203 10.272 1.00 1.00 H ATOM 739 HD21 LEU A 45 6.786 -6.977 7.924 1.00 1.00 H ATOM 740 HD22 LEU A 45 5.869 -5.487 8.163 1.00 1.00 H ATOM 741 HD23 LEU A 45 7.616 -5.421 8.020 1.00 1.00 H ATOM 742 N SER A 46 6.990 -1.783 11.932 1.00 1.00 N ATOM 743 CA SER A 46 6.798 -0.858 13.044 1.00 1.00 C ATOM 744 C SER A 46 5.646 0.141 12.820 1.00 1.00 C ATOM 745 O SER A 46 5.145 0.730 13.776 1.00 1.00 O ATOM 746 CB SER A 46 8.126 -0.151 13.324 1.00 1.00 C ATOM 747 OG SER A 46 8.733 0.400 12.171 1.00 1.00 O ATOM 748 H SER A 46 7.839 -1.645 11.390 1.00 1.00 H ATOM 749 HA SER A 46 6.547 -1.433 13.935 1.00 1.00 H ATOM 750 HB2 SER A 46 7.949 0.633 14.046 1.00 1.00 H ATOM 751 HB3 SER A 46 8.821 -0.868 13.763 1.00 1.00 H ATOM 752 HG SER A 46 8.064 0.499 11.467 1.00 1.00 H ATOM 753 N MET A 47 5.237 0.351 11.568 1.00 1.00 N ATOM 754 CA MET A 47 4.110 1.173 11.158 1.00 1.00 C ATOM 755 C MET A 47 2.835 0.329 11.147 1.00 1.00 C ATOM 756 O MET A 47 2.870 -0.902 11.181 1.00 1.00 O ATOM 757 CB MET A 47 4.358 1.695 9.734 1.00 1.00 C ATOM 758 CG MET A 47 5.460 2.753 9.643 1.00 1.00 C ATOM 759 SD MET A 47 6.190 2.922 7.990 1.00 1.00 S ATOM 760 CE MET A 47 4.718 3.335 7.023 1.00 1.00 C ATOM 761 H MET A 47 5.723 -0.124 10.818 1.00 1.00 H ATOM 762 HA MET A 47 3.990 2.011 11.847 1.00 1.00 H ATOM 763 HB2 MET A 47 4.619 0.855 9.093 1.00 1.00 H ATOM 764 HB3 MET A 47 3.440 2.134 9.346 1.00 1.00 H ATOM 765 HG2 MET A 47 5.042 3.712 9.942 1.00 1.00 H ATOM 766 HG3 MET A 47 6.258 2.505 10.342 1.00 1.00 H ATOM 767 HE1 MET A 47 4.998 3.531 5.989 1.00 1.00 H ATOM 768 HE2 MET A 47 4.013 2.505 7.046 1.00 1.00 H ATOM 769 HE3 MET A 47 4.247 4.224 7.441 1.00 1.00 H ATOM 770 N ASP A 48 1.690 0.990 11.067 1.00 1.00 N ATOM 771 CA ASP A 48 0.357 0.425 10.928 1.00 1.00 C ATOM 772 C ASP A 48 -0.338 1.097 9.749 1.00 1.00 C ATOM 773 O ASP A 48 0.329 1.646 8.869 1.00 1.00 O ATOM 774 CB ASP A 48 -0.435 0.551 12.228 1.00 1.00 C ATOM 775 CG ASP A 48 -0.603 1.980 12.732 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.039 2.857 11.955 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.322 2.184 13.935 1.00 1.00 O ATOM 778 H ASP A 48 1.692 1.996 11.092 1.00 1.00 H ATOM 779 HA ASP A 48 0.433 -0.636 10.693 1.00 1.00 H ATOM 780 HB2 ASP A 48 -1.411 0.085 12.110 1.00 1.00 H ATOM 781 HB3 ASP A 48 0.092 -0.026 12.966 1.00 1.00 H ATOM 782 N ALA A 49 -1.658 0.962 9.697 1.00 1.00 N ATOM 783 CA ALA A 49 -2.510 1.428 8.619 1.00 1.00 C ATOM 784 C ALA A 49 -2.439 2.938 8.418 1.00 1.00 C ATOM 785 O ALA A 49 -2.135 3.381 7.308 1.00 1.00 O ATOM 786 CB ALA A 49 -3.955 0.997 8.921 1.00 1.00 C ATOM 787 H ALA A 49 -2.080 0.551 10.518 1.00 1.00 H ATOM 788 HA ALA A 49 -2.137 0.978 7.692 1.00 1.00 H ATOM 789 HB1 ALA A 49 -4.288 1.416 9.870 1.00 1.00 H ATOM 790 HB2 ALA A 49 -4.622 1.366 8.143 1.00 1.00 H ATOM 791 HB3 ALA A 49 -4.025 -0.090 8.976 1.00 1.00 H ATOM 792 N LEU A 50 -2.749 3.738 9.441 1.00 1.00 N ATOM 793 CA LEU A 50 -2.747 5.190 9.281 1.00 1.00 C ATOM 794 C LEU A 50 -1.326 5.702 9.130 1.00 1.00 C ATOM 795 O LEU A 50 -1.076 6.576 8.305 1.00 1.00 O ATOM 796 CB LEU A 50 -3.450 5.884 10.441 1.00 1.00 C ATOM 797 CG LEU A 50 -3.797 7.354 10.118 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.848 7.479 9.005 1.00 1.00 C ATOM 799 CD2 LEU A 50 -4.364 8.033 11.363 1.00 1.00 C ATOM 800 H LEU A 50 -2.981 3.336 10.342 1.00 1.00 H ATOM 801 HA LEU A 50 -3.300 5.410 8.375 1.00 1.00 H ATOM 802 HB2 LEU A 50 -4.357 5.331 10.641 1.00 1.00 H ATOM 803 HB3 LEU A 50 -2.812 5.837 11.325 1.00 1.00 H ATOM 804 HG LEU A 50 -2.898 7.892 9.822 1.00 1.00 H ATOM 805 HD11 LEU A 50 -5.155 8.518 8.895 1.00 1.00 H ATOM 806 HD12 LEU A 50 -4.442 7.159 8.047 1.00 1.00 H ATOM 807 HD13 LEU A 50 -5.722 6.881 9.253 1.00 1.00 H ATOM 808 HD21 LEU A 50 -3.603 8.054 12.143 1.00 1.00 H ATOM 809 HD22 LEU A 50 -4.641 9.056 11.126 1.00 1.00 H ATOM 810 HD23 LEU A 50 -5.244 7.497 11.717 1.00 1.00 H ATOM 811 N ASP A 51 -0.391 5.117 9.881 1.00 1.00 N ATOM 812 CA ASP A 51 1.027 5.442 9.747 1.00 1.00 C ATOM 813 C ASP A 51 1.490 5.235 8.313 1.00 1.00 C ATOM 814 O ASP A 51 2.244 6.064 7.792 1.00 1.00 O ATOM 815 CB ASP A 51 1.903 4.672 10.741 1.00 1.00 C ATOM 816 CG ASP A 51 1.924 5.317 12.121 1.00 1.00 C ATOM 817 OD1 ASP A 51 0.873 5.493 12.773 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.029 5.724 12.550 1.00 1.00 O ATOM 819 H ASP A 51 -0.699 4.397 10.528 1.00 1.00 H ATOM 820 HA ASP A 51 1.139 6.505 9.968 1.00 1.00 H ATOM 821 HB2 ASP A 51 1.538 3.652 10.825 1.00 1.00 H ATOM 822 HB3 ASP A 51 2.922 4.628 10.357 1.00 1.00 H ATOM 823 N LEU A 52 1.067 4.138 7.672 1.00 1.00 N ATOM 824 CA LEU A 52 1.361 3.925 6.271 1.00 1.00 C ATOM 825 C LEU A 52 0.629 4.968 5.460 1.00 1.00 C ATOM 826 O LEU A 52 1.283 5.581 4.643 1.00 1.00 O ATOM 827 CB LEU A 52 0.970 2.512 5.828 1.00 1.00 C ATOM 828 CG LEU A 52 0.951 2.354 4.281 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.807 1.197 3.774 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.482 2.138 3.797 1.00 1.00 C ATOM 831 H LEU A 52 0.493 3.434 8.133 1.00 1.00 H ATOM 832 HA LEU A 52 2.426 4.099 6.100 1.00 1.00 H ATOM 833 HB2 LEU A 52 1.666 1.828 6.303 1.00 1.00 H ATOM 834 HB3 LEU A 52 -0.017 2.274 6.225 1.00 1.00 H ATOM 835 HG LEU A 52 1.343 3.237 3.793 1.00 1.00 H ATOM 836 HD11 LEU A 52 1.490 0.259 4.227 1.00 1.00 H ATOM 837 HD12 LEU A 52 1.706 1.134 2.689 1.00 1.00 H ATOM 838 HD13 LEU A 52 2.851 1.394 4.014 1.00 1.00 H ATOM 839 HD21 LEU A 52 -0.797 1.183 4.184 1.00 1.00 H ATOM 840 HD22 LEU A 52 -1.169 2.894 4.181 1.00 1.00 H ATOM 841 HD23 LEU A 52 -0.554 2.116 2.710 1.00 1.00 H ATOM 842 N THR A 53 -0.672 5.165 5.631 1.00 1.00 N ATOM 843 CA THR A 53 -1.445 6.099 4.829 1.00 1.00 C ATOM 844 C THR A 53 -0.742 7.456 4.757 1.00 1.00 C ATOM 845 O THR A 53 -0.458 7.944 3.662 1.00 1.00 O ATOM 846 CB THR A 53 -2.858 6.188 5.427 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.462 4.907 5.457 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.758 7.138 4.645 1.00 1.00 C ATOM 849 H THR A 53 -1.175 4.602 6.303 1.00 1.00 H ATOM 850 HA THR A 53 -1.476 5.708 3.813 1.00 1.00 H ATOM 851 HB THR A 53 -2.790 6.559 6.447 1.00 1.00 H ATOM 852 HG1 THR A 53 -3.017 4.357 6.123 1.00 1.00 H ATOM 853 HG21 THR A 53 -3.336 8.143 4.637 1.00 1.00 H ATOM 854 HG22 THR A 53 -3.871 6.781 3.626 1.00 1.00 H ATOM 855 HG23 THR A 53 -4.732 7.184 5.129 1.00 1.00 H ATOM 856 N ASP A 54 -0.396 8.025 5.911 1.00 1.00 N ATOM 857 CA ASP A 54 0.370 9.264 5.963 1.00 1.00 C ATOM 858 C ASP A 54 1.687 9.140 5.229 1.00 1.00 C ATOM 859 O ASP A 54 1.966 9.961 4.354 1.00 1.00 O ATOM 860 CB ASP A 54 0.614 9.767 7.389 1.00 1.00 C ATOM 861 CG ASP A 54 -0.589 10.527 7.922 1.00 1.00 C ATOM 862 OD1 ASP A 54 -0.700 11.743 7.628 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.422 9.928 8.630 1.00 1.00 O ATOM 864 H ASP A 54 -0.612 7.519 6.771 1.00 1.00 H ATOM 865 HA ASP A 54 -0.207 10.027 5.440 1.00 1.00 H ATOM 866 HB2 ASP A 54 0.852 8.925 8.042 1.00 1.00 H ATOM 867 HB3 ASP A 54 1.473 10.439 7.389 1.00 1.00 H ATOM 868 N LYS A 55 2.505 8.138 5.565 1.00 1.00 N ATOM 869 CA LYS A 55 3.828 8.044 4.964 1.00 1.00 C ATOM 870 C LYS A 55 3.711 7.838 3.460 1.00 1.00 C ATOM 871 O LYS A 55 4.241 8.629 2.702 1.00 1.00 O ATOM 872 CB LYS A 55 4.666 6.935 5.618 1.00 1.00 C ATOM 873 CG LYS A 55 6.162 7.209 5.365 1.00 1.00 C ATOM 874 CD LYS A 55 7.096 6.304 6.186 1.00 1.00 C ATOM 875 CE LYS A 55 7.930 7.056 7.234 1.00 1.00 C ATOM 876 NZ LYS A 55 7.119 7.634 8.324 1.00 1.00 N ATOM 877 H LYS A 55 2.199 7.461 6.263 1.00 1.00 H ATOM 878 HA LYS A 55 4.315 9.006 5.133 1.00 1.00 H ATOM 879 HB2 LYS A 55 4.451 6.898 6.679 1.00 1.00 H ATOM 880 HB3 LYS A 55 4.393 5.964 5.207 1.00 1.00 H ATOM 881 HG2 LYS A 55 6.371 7.066 4.305 1.00 1.00 H ATOM 882 HG3 LYS A 55 6.384 8.252 5.600 1.00 1.00 H ATOM 883 HD2 LYS A 55 6.526 5.517 6.677 1.00 1.00 H ATOM 884 HD3 LYS A 55 7.794 5.824 5.500 1.00 1.00 H ATOM 885 HE2 LYS A 55 8.634 6.348 7.676 1.00 1.00 H ATOM 886 HE3 LYS A 55 8.500 7.849 6.747 1.00 1.00 H ATOM 887 HZ1 LYS A 55 6.634 8.491 8.057 1.00 1.00 H ATOM 888 HZ2 LYS A 55 6.417 6.973 8.658 1.00 1.00 H ATOM 889 HZ3 LYS A 55 7.735 7.857 9.092 1.00 1.00 H ATOM 890 N LEU A 56 3.031 6.793 3.014 1.00 1.00 N ATOM 891 CA LEU A 56 2.886 6.357 1.636 1.00 1.00 C ATOM 892 C LEU A 56 2.259 7.458 0.778 1.00 1.00 C ATOM 893 O LEU A 56 2.599 7.551 -0.396 1.00 1.00 O ATOM 894 CB LEU A 56 2.105 5.032 1.685 1.00 1.00 C ATOM 895 CG LEU A 56 1.941 4.170 0.427 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.805 4.654 -0.458 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.203 3.965 -0.414 1.00 1.00 C ATOM 898 H LEU A 56 2.446 6.315 3.687 1.00 1.00 H ATOM 899 HA LEU A 56 3.881 6.156 1.240 1.00 1.00 H ATOM 900 HB2 LEU A 56 2.630 4.400 2.402 1.00 1.00 H ATOM 901 HB3 LEU A 56 1.111 5.227 2.091 1.00 1.00 H ATOM 902 HG LEU A 56 1.650 3.179 0.783 1.00 1.00 H ATOM 903 HD11 LEU A 56 -0.132 4.612 0.095 1.00 1.00 H ATOM 904 HD12 LEU A 56 0.980 5.669 -0.803 1.00 1.00 H ATOM 905 HD13 LEU A 56 0.740 3.991 -1.314 1.00 1.00 H ATOM 906 HD21 LEU A 56 3.108 3.034 -0.965 1.00 1.00 H ATOM 907 HD22 LEU A 56 3.312 4.770 -1.142 1.00 1.00 H ATOM 908 HD23 LEU A 56 4.096 3.893 0.196 1.00 1.00 H ATOM 909 N VAL A 57 1.401 8.324 1.321 1.00 1.00 N ATOM 910 CA VAL A 57 0.890 9.445 0.538 1.00 1.00 C ATOM 911 C VAL A 57 1.892 10.608 0.558 1.00 1.00 C ATOM 912 O VAL A 57 2.168 11.187 -0.492 1.00 1.00 O ATOM 913 CB VAL A 57 -0.514 9.828 1.031 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.990 11.116 0.359 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.496 8.693 0.695 1.00 1.00 C ATOM 916 H VAL A 57 1.050 8.200 2.269 1.00 1.00 H ATOM 917 HA VAL A 57 0.790 9.133 -0.503 1.00 1.00 H ATOM 918 HB VAL A 57 -0.500 9.994 2.108 1.00 1.00 H ATOM 919 HG11 VAL A 57 -0.792 11.077 -0.708 1.00 1.00 H ATOM 920 HG12 VAL A 57 -2.051 11.255 0.522 1.00 1.00 H ATOM 921 HG13 VAL A 57 -0.459 11.970 0.777 1.00 1.00 H ATOM 922 HG21 VAL A 57 -1.580 8.573 -0.386 1.00 1.00 H ATOM 923 HG22 VAL A 57 -1.155 7.753 1.129 1.00 1.00 H ATOM 924 HG23 VAL A 57 -2.476 8.905 1.114 1.00 1.00 H ATOM 925 N SER A 58 2.442 10.987 1.712 1.00 1.00 N ATOM 926 CA SER A 58 3.335 12.138 1.835 1.00 1.00 C ATOM 927 C SER A 58 4.633 11.898 1.050 1.00 1.00 C ATOM 928 O SER A 58 5.073 12.749 0.274 1.00 1.00 O ATOM 929 CB SER A 58 3.579 12.378 3.334 1.00 1.00 C ATOM 930 OG SER A 58 4.169 13.632 3.609 1.00 1.00 O ATOM 931 H SER A 58 2.221 10.474 2.563 1.00 1.00 H ATOM 932 HA SER A 58 2.833 13.011 1.411 1.00 1.00 H ATOM 933 HB2 SER A 58 2.616 12.353 3.844 1.00 1.00 H ATOM 934 HB3 SER A 58 4.205 11.582 3.740 1.00 1.00 H ATOM 935 HG SER A 58 5.118 13.567 3.373 1.00 1.00 H ATOM 936 N PHE A 59 5.237 10.726 1.250 1.00 1.00 N ATOM 937 CA PHE A 59 6.498 10.236 0.697 1.00 1.00 C ATOM 938 C PHE A 59 6.415 10.007 -0.812 1.00 1.00 C ATOM 939 O PHE A 59 7.460 9.831 -1.442 1.00 1.00 O ATOM 940 CB PHE A 59 6.840 8.937 1.442 1.00 1.00 C ATOM 941 CG PHE A 59 8.263 8.416 1.441 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.305 9.188 1.985 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.512 7.081 1.072 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.589 8.635 2.132 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.786 6.520 1.254 1.00 1.00 C ATOM 946 CZ PHE A 59 10.830 7.298 1.773 1.00 1.00 C ATOM 947 H PHE A 59 4.760 10.079 1.867 1.00 1.00 H ATOM 948 HA PHE A 59 7.275 10.969 0.902 1.00 1.00 H ATOM 949 HB2 PHE A 59 6.605 9.111 2.488 1.00 1.00 H ATOM 950 HB3 PHE A 59 6.175 8.149 1.086 1.00 1.00 H ATOM 951 HD1 PHE A 59 9.116 10.199 2.315 1.00 1.00 H ATOM 952 HD2 PHE A 59 7.717 6.467 0.682 1.00 1.00 H ATOM 953 HE1 PHE A 59 11.385 9.238 2.543 1.00 1.00 H ATOM 954 HE2 PHE A 59 9.951 5.488 0.996 1.00 1.00 H ATOM 955 HZ PHE A 59 11.812 6.863 1.900 1.00 1.00 H ATOM 956 N TYR A 60 5.200 10.001 -1.378 1.00 1.00 N ATOM 957 CA TYR A 60 4.980 9.906 -2.810 1.00 1.00 C ATOM 958 C TYR A 60 4.064 11.068 -3.217 1.00 1.00 C ATOM 959 O TYR A 60 4.551 12.189 -3.307 1.00 1.00 O ATOM 960 CB TYR A 60 4.390 8.525 -3.164 1.00 1.00 C ATOM 961 CG TYR A 60 5.237 7.299 -2.853 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.364 6.817 -1.536 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.809 6.567 -3.905 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.014 5.599 -1.272 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.448 5.342 -3.655 1.00 1.00 C ATOM 966 CZ TYR A 60 6.548 4.848 -2.337 1.00 1.00 C ATOM 967 OH TYR A 60 7.214 3.690 -2.086 1.00 1.00 O ATOM 968 H TYR A 60 4.393 10.155 -0.790 1.00 1.00 H ATOM 969 HA TYR A 60 5.925 10.026 -3.339 1.00 1.00 H ATOM 970 HB2 TYR A 60 3.440 8.401 -2.646 1.00 1.00 H ATOM 971 HB3 TYR A 60 4.159 8.523 -4.228 1.00 1.00 H ATOM 972 HD1 TYR A 60 4.938 7.371 -0.718 1.00 1.00 H ATOM 973 HD2 TYR A 60 5.745 6.936 -4.917 1.00 1.00 H ATOM 974 HE1 TYR A 60 6.083 5.227 -0.263 1.00 1.00 H ATOM 975 HE2 TYR A 60 6.855 4.785 -4.479 1.00 1.00 H ATOM 976 HH TYR A 60 8.153 3.949 -2.014 1.00 1.00 H ATOM 977 N LEU A 61 2.751 10.855 -3.338 1.00 1.00 N ATOM 978 CA LEU A 61 1.668 11.778 -3.706 1.00 1.00 C ATOM 979 C LEU A 61 0.347 11.050 -3.386 1.00 1.00 C ATOM 980 O LEU A 61 0.373 9.842 -3.145 1.00 1.00 O ATOM 981 CB LEU A 61 1.624 12.061 -5.221 1.00 1.00 C ATOM 982 CG LEU A 61 2.592 13.014 -5.952 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.884 14.291 -5.170 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.856 12.344 -6.500 1.00 1.00 C ATOM 985 H LEU A 61 2.406 9.954 -3.029 1.00 1.00 H ATOM 986 HA LEU A 61 1.740 12.710 -3.164 1.00 1.00 H ATOM 987 HB2 LEU A 61 1.637 11.101 -5.712 1.00 1.00 H ATOM 988 HB3 LEU A 61 0.646 12.490 -5.415 1.00 1.00 H ATOM 989 HG LEU A 61 2.055 13.340 -6.840 1.00 1.00 H ATOM 990 HD11 LEU A 61 3.392 14.055 -4.240 1.00 1.00 H ATOM 991 HD12 LEU A 61 3.519 14.948 -5.764 1.00 1.00 H ATOM 992 HD13 LEU A 61 1.940 14.794 -4.961 1.00 1.00 H ATOM 993 HD21 LEU A 61 4.362 13.028 -7.183 1.00 1.00 H ATOM 994 HD22 LEU A 61 4.545 12.096 -5.702 1.00 1.00 H ATOM 995 HD23 LEU A 61 3.598 11.439 -7.050 1.00 1.00 H ATOM 996 N GLU A 62 -0.817 11.717 -3.446 1.00 1.00 N ATOM 997 CA GLU A 62 -2.110 11.042 -3.272 1.00 1.00 C ATOM 998 C GLU A 62 -2.341 10.047 -4.408 1.00 1.00 C ATOM 999 O GLU A 62 -2.472 8.851 -4.145 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.302 12.009 -3.208 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.526 12.652 -1.834 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.569 13.786 -1.491 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -2.121 14.511 -2.413 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.362 14.026 -0.279 1.00 1.00 O ATOM 1005 H GLU A 62 -0.812 12.714 -3.613 1.00 1.00 H ATOM 1006 HA GLU A 62 -2.088 10.460 -2.351 1.00 1.00 H ATOM 1007 HB2 GLU A 62 -3.203 12.769 -3.978 1.00 1.00 H ATOM 1008 HB3 GLU A 62 -4.207 11.455 -3.447 1.00 1.00 H ATOM 1009 HG2 GLU A 62 -4.535 13.057 -1.811 1.00 1.00 H ATOM 1010 HG3 GLU A 62 -3.480 11.881 -1.067 1.00 1.00 H ATOM 1011 N THR A 63 -2.407 10.521 -5.659 1.00 1.00 N ATOM 1012 CA THR A 63 -2.720 9.660 -6.791 1.00 1.00 C ATOM 1013 C THR A 63 -1.704 8.525 -6.883 1.00 1.00 C ATOM 1014 O THR A 63 -2.127 7.366 -6.894 1.00 1.00 O ATOM 1015 CB THR A 63 -2.844 10.483 -8.084 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.973 11.326 -7.987 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.982 9.616 -9.340 1.00 1.00 C ATOM 1018 H THR A 63 -2.321 11.517 -5.835 1.00 1.00 H ATOM 1019 HA THR A 63 -3.690 9.206 -6.586 1.00 1.00 H ATOM 1020 HB THR A 63 -1.967 11.110 -8.199 1.00 1.00 H ATOM 1021 HG1 THR A 63 -3.795 12.092 -8.565 1.00 1.00 H ATOM 1022 HG21 THR A 63 -2.020 9.165 -9.587 1.00 1.00 H ATOM 1023 HG22 THR A 63 -3.710 8.824 -9.181 1.00 1.00 H ATOM 1024 HG23 THR A 63 -3.306 10.226 -10.182 1.00 1.00 H ATOM 1025 N TYR A 64 -0.399 8.832 -6.904 1.00 1.00 N ATOM 1026 CA TYR A 64 0.632 7.800 -6.950 1.00 1.00 C ATOM 1027 C TYR A 64 0.529 6.868 -5.739 1.00 1.00 C ATOM 1028 O TYR A 64 0.757 5.674 -5.893 1.00 1.00 O ATOM 1029 CB TYR A 64 2.043 8.414 -7.038 1.00 1.00 C ATOM 1030 CG TYR A 64 3.130 7.397 -7.364 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.576 6.487 -6.384 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.661 7.317 -8.668 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.470 5.460 -6.722 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.583 6.308 -9.006 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.978 5.365 -8.032 1.00 1.00 C ATOM 1036 OH TYR A 64 5.801 4.333 -8.355 1.00 1.00 O ATOM 1037 H TYR A 64 -0.115 9.804 -6.942 1.00 1.00 H ATOM 1038 HA TYR A 64 0.452 7.202 -7.848 1.00 1.00 H ATOM 1039 HB2 TYR A 64 2.044 9.187 -7.809 1.00 1.00 H ATOM 1040 HB3 TYR A 64 2.284 8.890 -6.089 1.00 1.00 H ATOM 1041 HD1 TYR A 64 3.226 6.538 -5.361 1.00 1.00 H ATOM 1042 HD2 TYR A 64 3.363 8.028 -9.422 1.00 1.00 H ATOM 1043 HE1 TYR A 64 4.761 4.740 -5.970 1.00 1.00 H ATOM 1044 HE2 TYR A 64 4.970 6.243 -10.012 1.00 1.00 H ATOM 1045 HH TYR A 64 5.529 3.559 -7.817 1.00 1.00 H ATOM 1046 N GLY A 65 0.197 7.375 -4.550 1.00 1.00 N ATOM 1047 CA GLY A 65 0.122 6.582 -3.335 1.00 1.00 C ATOM 1048 C GLY A 65 -1.000 5.552 -3.417 1.00 1.00 C ATOM 1049 O GLY A 65 -0.775 4.364 -3.182 1.00 1.00 O ATOM 1050 H GLY A 65 0.001 8.363 -4.441 1.00 1.00 H ATOM 1051 HA2 GLY A 65 1.078 6.078 -3.183 1.00 1.00 H ATOM 1052 HA3 GLY A 65 -0.062 7.244 -2.488 1.00 1.00 H ATOM 1053 N ALA A 66 -2.216 5.967 -3.770 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.320 5.025 -3.923 1.00 1.00 C ATOM 1055 C ALA A 66 -3.057 4.061 -5.074 1.00 1.00 C ATOM 1056 O ALA A 66 -3.384 2.878 -4.977 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.622 5.774 -4.153 1.00 1.00 C ATOM 1058 H ALA A 66 -2.365 6.955 -3.962 1.00 1.00 H ATOM 1059 HA ALA A 66 -3.416 4.433 -3.015 1.00 1.00 H ATOM 1060 HB1 ALA A 66 -4.872 6.364 -3.273 1.00 1.00 H ATOM 1061 HB2 ALA A 66 -4.520 6.422 -5.022 1.00 1.00 H ATOM 1062 HB3 ALA A 66 -5.419 5.053 -4.334 1.00 1.00 H ATOM 1063 N GLU A 67 -2.434 4.560 -6.141 1.00 1.00 N ATOM 1064 CA GLU A 67 -2.041 3.753 -7.280 1.00 1.00 C ATOM 1065 C GLU A 67 -1.082 2.655 -6.814 1.00 1.00 C ATOM 1066 O GLU A 67 -1.346 1.487 -7.095 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.419 4.619 -8.384 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.237 3.765 -9.646 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.381 4.406 -10.735 1.00 1.00 C ATOM 1070 OE1 GLU A 67 0.373 5.372 -10.479 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -0.375 3.834 -11.850 1.00 1.00 O ATOM 1072 H GLU A 67 -2.198 5.546 -6.128 1.00 1.00 H ATOM 1073 HA GLU A 67 -2.943 3.282 -7.670 1.00 1.00 H ATOM 1074 HB2 GLU A 67 -2.062 5.468 -8.618 1.00 1.00 H ATOM 1075 HB3 GLU A 67 -0.463 5.001 -8.043 1.00 1.00 H ATOM 1076 HG2 GLU A 67 -0.754 2.826 -9.385 1.00 1.00 H ATOM 1077 HG3 GLU A 67 -2.222 3.528 -10.050 1.00 1.00 H ATOM 1078 N LEU A 68 -0.011 3.016 -6.095 1.00 1.00 N ATOM 1079 CA LEU A 68 0.951 2.102 -5.487 1.00 1.00 C ATOM 1080 C LEU A 68 0.185 1.088 -4.664 1.00 1.00 C ATOM 1081 O LEU A 68 0.367 -0.105 -4.865 1.00 1.00 O ATOM 1082 CB LEU A 68 1.988 2.848 -4.620 1.00 1.00 C ATOM 1083 CG LEU A 68 2.976 1.897 -3.907 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.224 2.673 -3.473 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.378 1.231 -2.659 1.00 1.00 C ATOM 1086 H LEU A 68 0.124 4.005 -5.920 1.00 1.00 H ATOM 1087 HA LEU A 68 1.488 1.569 -6.269 1.00 1.00 H ATOM 1088 HB2 LEU A 68 2.562 3.527 -5.246 1.00 1.00 H ATOM 1089 HB3 LEU A 68 1.485 3.463 -3.877 1.00 1.00 H ATOM 1090 HG LEU A 68 3.292 1.121 -4.599 1.00 1.00 H ATOM 1091 HD11 LEU A 68 4.814 2.928 -4.346 1.00 1.00 H ATOM 1092 HD12 LEU A 68 3.935 3.593 -2.970 1.00 1.00 H ATOM 1093 HD13 LEU A 68 4.843 2.079 -2.796 1.00 1.00 H ATOM 1094 HD21 LEU A 68 1.669 1.894 -2.165 1.00 1.00 H ATOM 1095 HD22 LEU A 68 1.871 0.308 -2.919 1.00 1.00 H ATOM 1096 HD23 LEU A 68 3.171 0.964 -1.975 1.00 1.00 H ATOM 1097 N THR A 69 -0.647 1.552 -3.737 1.00 1.00 N ATOM 1098 CA THR A 69 -1.364 0.693 -2.811 1.00 1.00 C ATOM 1099 C THR A 69 -2.111 -0.375 -3.616 1.00 1.00 C ATOM 1100 O THR A 69 -1.830 -1.557 -3.437 1.00 1.00 O ATOM 1101 CB THR A 69 -2.241 1.550 -1.883 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.447 2.531 -1.257 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.894 0.751 -0.753 1.00 1.00 C ATOM 1104 H THR A 69 -0.733 2.556 -3.644 1.00 1.00 H ATOM 1105 HA THR A 69 -0.625 0.181 -2.196 1.00 1.00 H ATOM 1106 HB THR A 69 -3.008 2.051 -2.470 1.00 1.00 H ATOM 1107 HG1 THR A 69 -1.232 3.214 -1.913 1.00 1.00 H ATOM 1108 HG21 THR A 69 -2.143 0.398 -0.049 1.00 1.00 H ATOM 1109 HG22 THR A 69 -3.607 1.381 -0.222 1.00 1.00 H ATOM 1110 HG23 THR A 69 -3.428 -0.100 -1.159 1.00 1.00 H ATOM 1111 N ALA A 70 -2.967 0.007 -4.572 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.688 -0.954 -5.398 1.00 1.00 C ATOM 1113 C ALA A 70 -2.737 -1.820 -6.246 1.00 1.00 C ATOM 1114 O ALA A 70 -3.063 -2.971 -6.501 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.662 -0.208 -6.321 1.00 1.00 C ATOM 1116 H ALA A 70 -3.110 0.999 -4.743 1.00 1.00 H ATOM 1117 HA ALA A 70 -4.262 -1.612 -4.726 1.00 1.00 H ATOM 1118 HB1 ALA A 70 -5.218 -0.929 -6.923 1.00 1.00 H ATOM 1119 HB2 ALA A 70 -5.369 0.383 -5.740 1.00 1.00 H ATOM 1120 HB3 ALA A 70 -4.110 0.456 -6.986 1.00 1.00 H ATOM 1121 N ASN A 71 -1.584 -1.300 -6.683 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.601 -2.003 -7.517 1.00 1.00 C ATOM 1123 C ASN A 71 0.032 -3.149 -6.749 1.00 1.00 C ATOM 1124 O ASN A 71 -0.002 -4.296 -7.176 1.00 1.00 O ATOM 1125 CB ASN A 71 0.526 -1.052 -7.956 1.00 1.00 C ATOM 1126 CG ASN A 71 1.473 -1.658 -8.988 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.207 -2.684 -9.615 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.613 -1.032 -9.195 1.00 1.00 N ATOM 1129 H ASN A 71 -1.369 -0.347 -6.410 1.00 1.00 H ATOM 1130 HA ASN A 71 -1.105 -2.400 -8.397 1.00 1.00 H ATOM 1131 HB2 ASN A 71 0.093 -0.147 -8.346 1.00 1.00 H ATOM 1132 HB3 ASN A 71 1.128 -0.755 -7.101 1.00 1.00 H ATOM 1133 HD21 ASN A 71 2.869 -0.237 -8.616 1.00 1.00 H ATOM 1134 HD22 ASN A 71 3.337 -1.447 -9.764 1.00 1.00 H ATOM 1135 N VAL A 72 0.631 -2.815 -5.611 1.00 1.00 N ATOM 1136 CA VAL A 72 1.267 -3.753 -4.693 1.00 1.00 C ATOM 1137 C VAL A 72 0.217 -4.761 -4.190 1.00 1.00 C ATOM 1138 O VAL A 72 0.493 -5.958 -4.094 1.00 1.00 O ATOM 1139 CB VAL A 72 1.957 -2.969 -3.552 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.654 -3.934 -2.585 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.012 -1.960 -4.054 1.00 1.00 C ATOM 1142 H VAL A 72 0.616 -1.816 -5.410 1.00 1.00 H ATOM 1143 HA VAL A 72 2.027 -4.304 -5.247 1.00 1.00 H ATOM 1144 HB VAL A 72 1.198 -2.414 -3.003 1.00 1.00 H ATOM 1145 HG11 VAL A 72 3.054 -3.384 -1.742 1.00 1.00 H ATOM 1146 HG12 VAL A 72 1.948 -4.664 -2.191 1.00 1.00 H ATOM 1147 HG13 VAL A 72 3.463 -4.452 -3.103 1.00 1.00 H ATOM 1148 HG21 VAL A 72 3.474 -1.427 -3.225 1.00 1.00 H ATOM 1149 HG22 VAL A 72 3.804 -2.456 -4.608 1.00 1.00 H ATOM 1150 HG23 VAL A 72 2.564 -1.201 -4.690 1.00 1.00 H ATOM 1151 N LEU A 73 -1.003 -4.306 -3.893 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.106 -5.183 -3.509 1.00 1.00 C ATOM 1153 C LEU A 73 -2.408 -6.149 -4.654 1.00 1.00 C ATOM 1154 O LEU A 73 -2.478 -7.353 -4.441 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.318 -4.334 -3.092 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.160 -3.703 -1.691 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.289 -2.701 -1.451 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.108 -4.683 -0.514 1.00 1.00 C ATOM 1159 H LEU A 73 -1.186 -3.309 -3.956 1.00 1.00 H ATOM 1160 HA LEU A 73 -1.782 -5.796 -2.673 1.00 1.00 H ATOM 1161 HB2 LEU A 73 -3.461 -3.550 -3.820 1.00 1.00 H ATOM 1162 HB3 LEU A 73 -4.232 -4.900 -3.170 1.00 1.00 H ATOM 1163 HG LEU A 73 -2.220 -3.162 -1.665 1.00 1.00 H ATOM 1164 HD11 LEU A 73 -4.272 -1.939 -2.228 1.00 1.00 H ATOM 1165 HD12 LEU A 73 -5.252 -3.207 -1.477 1.00 1.00 H ATOM 1166 HD13 LEU A 73 -4.164 -2.223 -0.479 1.00 1.00 H ATOM 1167 HD21 LEU A 73 -4.113 -4.971 -0.212 1.00 1.00 H ATOM 1168 HD22 LEU A 73 -2.524 -5.570 -0.742 1.00 1.00 H ATOM 1169 HD23 LEU A 73 -2.624 -4.180 0.322 1.00 1.00 H ATOM 1170 N ARG A 74 -2.521 -5.658 -5.883 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.695 -6.509 -7.056 1.00 1.00 C ATOM 1172 C ARG A 74 -1.499 -7.444 -7.249 1.00 1.00 C ATOM 1173 O ARG A 74 -1.688 -8.571 -7.703 1.00 1.00 O ATOM 1174 CB ARG A 74 -3.096 -5.642 -8.251 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.679 -6.427 -9.440 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.718 -6.501 -10.627 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.429 -5.162 -11.165 1.00 1.00 N ATOM 1178 CZ ARG A 74 -1.332 -4.431 -10.942 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -0.211 -4.985 -10.494 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -1.382 -3.123 -11.146 1.00 1.00 N ATOM 1181 H ARG A 74 -2.550 -4.649 -5.984 1.00 1.00 H ATOM 1182 HA ARG A 74 -3.523 -7.170 -6.859 1.00 1.00 H ATOM 1183 HB2 ARG A 74 -3.886 -4.970 -7.918 1.00 1.00 H ATOM 1184 HB3 ARG A 74 -2.251 -5.022 -8.538 1.00 1.00 H ATOM 1185 HG2 ARG A 74 -3.946 -7.439 -9.130 1.00 1.00 H ATOM 1186 HG3 ARG A 74 -4.594 -5.934 -9.774 1.00 1.00 H ATOM 1187 HD2 ARG A 74 -1.811 -6.999 -10.290 1.00 1.00 H ATOM 1188 HD3 ARG A 74 -3.182 -7.094 -11.413 1.00 1.00 H ATOM 1189 HE ARG A 74 -3.218 -4.712 -11.627 1.00 1.00 H ATOM 1190 HH11 ARG A 74 -0.090 -5.994 -10.475 1.00 1.00 H ATOM 1191 HH12 ARG A 74 0.543 -4.396 -10.150 1.00 1.00 H ATOM 1192 HH21 ARG A 74 -2.257 -2.656 -11.392 1.00 1.00 H ATOM 1193 HH22 ARG A 74 -0.597 -2.502 -10.953 1.00 1.00 H ATOM 1194 N ASP A 75 -0.285 -7.053 -6.851 1.00 1.00 N ATOM 1195 CA ASP A 75 0.885 -7.927 -6.888 1.00 1.00 C ATOM 1196 C ASP A 75 0.713 -9.045 -5.845 1.00 1.00 C ATOM 1197 O ASP A 75 1.169 -10.170 -6.070 1.00 1.00 O ATOM 1198 CB ASP A 75 2.178 -7.133 -6.705 1.00 1.00 C ATOM 1199 CG ASP A 75 3.393 -8.020 -6.964 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.818 -8.149 -8.139 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.920 -8.623 -6.006 1.00 1.00 O ATOM 1202 H ASP A 75 -0.149 -6.099 -6.537 1.00 1.00 H ATOM 1203 HA ASP A 75 0.930 -8.387 -7.875 1.00 1.00 H ATOM 1204 HB2 ASP A 75 2.186 -6.297 -7.406 1.00 1.00 H ATOM 1205 HB3 ASP A 75 2.218 -6.731 -5.699 1.00 1.00 H ATOM 1206 N MET A 76 0.006 -8.793 -4.731 1.00 1.00 N ATOM 1207 CA MET A 76 -0.327 -9.824 -3.735 1.00 1.00 C ATOM 1208 C MET A 76 -1.308 -10.850 -4.331 1.00 1.00 C ATOM 1209 O MET A 76 -1.575 -11.869 -3.698 1.00 1.00 O ATOM 1210 CB MET A 76 -1.011 -9.273 -2.463 1.00 1.00 C ATOM 1211 CG MET A 76 -0.251 -8.223 -1.654 1.00 1.00 C ATOM 1212 SD MET A 76 0.364 -8.846 -0.071 1.00 1.00 S ATOM 1213 CE MET A 76 -1.134 -9.126 0.918 1.00 1.00 C ATOM 1214 H MET A 76 -0.278 -7.828 -4.554 1.00 1.00 H ATOM 1215 HA MET A 76 0.583 -10.348 -3.456 1.00 1.00 H ATOM 1216 HB2 MET A 76 -1.989 -8.869 -2.707 1.00 1.00 H ATOM 1217 HB3 MET A 76 -1.210 -10.120 -1.807 1.00 1.00 H ATOM 1218 HG2 MET A 76 0.591 -7.853 -2.239 1.00 1.00 H ATOM 1219 HG3 MET A 76 -0.916 -7.386 -1.451 1.00 1.00 H ATOM 1220 HE1 MET A 76 -0.866 -9.633 1.841 1.00 1.00 H ATOM 1221 HE2 MET A 76 -1.591 -8.177 1.193 1.00 1.00 H ATOM 1222 HE3 MET A 76 -1.836 -9.770 0.396 1.00 1.00 H ATOM 1223 N GLY A 77 -1.857 -10.603 -5.522 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.874 -11.425 -6.164 1.00 1.00 C ATOM 1225 C GLY A 77 -4.291 -11.048 -5.719 1.00 1.00 C ATOM 1226 O GLY A 77 -5.262 -11.656 -6.176 1.00 1.00 O ATOM 1227 H GLY A 77 -1.603 -9.741 -5.988 1.00 1.00 H ATOM 1228 HA2 GLY A 77 -2.798 -11.286 -7.243 1.00 1.00 H ATOM 1229 HA3 GLY A 77 -2.693 -12.475 -5.937 1.00 1.00 H ATOM 1230 N LEU A 78 -4.421 -10.072 -4.820 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.663 -9.488 -4.342 1.00 1.00 C ATOM 1232 C LEU A 78 -6.162 -8.597 -5.474 1.00 1.00 C ATOM 1233 O LEU A 78 -5.417 -7.750 -5.942 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.329 -8.721 -3.046 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.321 -7.687 -2.478 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.651 -7.100 -1.234 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.612 -6.501 -3.410 1.00 1.00 C ATOM 1238 H LEU A 78 -3.592 -9.542 -4.597 1.00 1.00 H ATOM 1239 HA LEU A 78 -6.384 -10.273 -4.134 1.00 1.00 H ATOM 1240 HB2 LEU A 78 -5.145 -9.471 -2.275 1.00 1.00 H ATOM 1241 HB3 LEU A 78 -4.390 -8.198 -3.203 1.00 1.00 H ATOM 1242 HG LEU A 78 -7.256 -8.169 -2.195 1.00 1.00 H ATOM 1243 HD11 LEU A 78 -4.703 -6.647 -1.521 1.00 1.00 H ATOM 1244 HD12 LEU A 78 -6.286 -6.340 -0.780 1.00 1.00 H ATOM 1245 HD13 LEU A 78 -5.462 -7.881 -0.500 1.00 1.00 H ATOM 1246 HD21 LEU A 78 -5.735 -6.278 -4.013 1.00 1.00 H ATOM 1247 HD22 LEU A 78 -7.455 -6.743 -4.053 1.00 1.00 H ATOM 1248 HD23 LEU A 78 -6.834 -5.601 -2.847 1.00 1.00 H ATOM 1249 N GLN A 79 -7.395 -8.760 -5.941 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.910 -7.980 -7.070 1.00 1.00 C ATOM 1251 C GLN A 79 -9.175 -7.194 -6.714 1.00 1.00 C ATOM 1252 O GLN A 79 -9.413 -6.137 -7.305 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.044 -8.870 -8.320 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.792 -10.193 -8.098 1.00 1.00 C ATOM 1255 CD GLN A 79 -8.778 -11.077 -9.344 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.061 -10.623 -10.452 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -8.433 -12.345 -9.210 1.00 1.00 N ATOM 1258 H GLN A 79 -7.979 -9.457 -5.493 1.00 1.00 H ATOM 1259 HA GLN A 79 -7.177 -7.220 -7.341 1.00 1.00 H ATOM 1260 HB2 GLN A 79 -8.541 -8.300 -9.106 1.00 1.00 H ATOM 1261 HB3 GLN A 79 -7.038 -9.108 -8.669 1.00 1.00 H ATOM 1262 HG2 GLN A 79 -8.317 -10.742 -7.284 1.00 1.00 H ATOM 1263 HG3 GLN A 79 -9.824 -9.979 -7.820 1.00 1.00 H ATOM 1264 HE21 GLN A 79 -8.187 -12.691 -8.283 1.00 1.00 H ATOM 1265 HE22 GLN A 79 -8.384 -12.977 -10.002 1.00 1.00 H ATOM 1266 N GLU A 80 -9.944 -7.641 -5.715 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.208 -7.007 -5.345 1.00 1.00 C ATOM 1268 C GLU A 80 -10.961 -5.596 -4.784 1.00 1.00 C ATOM 1269 O GLU A 80 -11.352 -4.600 -5.398 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.016 -7.942 -4.418 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.420 -8.146 -3.014 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.794 -9.486 -2.391 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.979 -9.695 -2.046 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.869 -10.308 -2.185 1.00 1.00 O ATOM 1275 H GLU A 80 -9.689 -8.500 -5.244 1.00 1.00 H ATOM 1276 HA GLU A 80 -11.778 -6.891 -6.267 1.00 1.00 H ATOM 1277 HB2 GLU A 80 -13.028 -7.547 -4.315 1.00 1.00 H ATOM 1278 HB3 GLU A 80 -12.090 -8.912 -4.912 1.00 1.00 H ATOM 1279 HG2 GLU A 80 -10.332 -8.094 -3.067 1.00 1.00 H ATOM 1280 HG3 GLU A 80 -11.762 -7.344 -2.358 1.00 1.00 H ATOM 1281 N MET A 81 -10.262 -5.503 -3.653 1.00 1.00 N ATOM 1282 CA MET A 81 -9.835 -4.264 -3.020 1.00 1.00 C ATOM 1283 C MET A 81 -8.957 -3.477 -3.980 1.00 1.00 C ATOM 1284 O MET A 81 -9.097 -2.274 -3.984 1.00 1.00 O ATOM 1285 CB MET A 81 -9.190 -4.598 -1.669 1.00 1.00 C ATOM 1286 CG MET A 81 -8.280 -3.488 -1.139 1.00 1.00 C ATOM 1287 SD MET A 81 -7.391 -3.908 0.380 1.00 1.00 S ATOM 1288 CE MET A 81 -8.760 -4.289 1.502 1.00 1.00 C ATOM 1289 H MET A 81 -9.991 -6.361 -3.196 1.00 1.00 H ATOM 1290 HA MET A 81 -10.670 -3.593 -2.796 1.00 1.00 H ATOM 1291 HB2 MET A 81 -9.992 -4.766 -0.953 1.00 1.00 H ATOM 1292 HB3 MET A 81 -8.625 -5.525 -1.729 1.00 1.00 H ATOM 1293 HG2 MET A 81 -7.527 -3.262 -1.895 1.00 1.00 H ATOM 1294 HG3 MET A 81 -8.878 -2.592 -0.979 1.00 1.00 H ATOM 1295 HE1 MET A 81 -9.470 -3.461 1.512 1.00 1.00 H ATOM 1296 HE2 MET A 81 -9.266 -5.200 1.182 1.00 1.00 H ATOM 1297 HE3 MET A 81 -8.366 -4.442 2.506 1.00 1.00 H ATOM 1298 N ALA A 82 -8.124 -4.080 -4.833 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.342 -3.315 -5.806 1.00 1.00 C ATOM 1300 C ALA A 82 -8.259 -2.458 -6.692 1.00 1.00 C ATOM 1301 O ALA A 82 -8.070 -1.243 -6.777 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.449 -4.238 -6.640 1.00 1.00 C ATOM 1303 H ALA A 82 -8.032 -5.077 -4.785 1.00 1.00 H ATOM 1304 HA ALA A 82 -6.694 -2.636 -5.250 1.00 1.00 H ATOM 1305 HB1 ALA A 82 -7.053 -4.918 -7.238 1.00 1.00 H ATOM 1306 HB2 ALA A 82 -5.842 -3.631 -7.313 1.00 1.00 H ATOM 1307 HB3 ALA A 82 -5.783 -4.809 -5.992 1.00 1.00 H ATOM 1308 N GLY A 83 -9.269 -3.065 -7.326 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.155 -2.316 -8.218 1.00 1.00 C ATOM 1310 C GLY A 83 -11.042 -1.330 -7.456 1.00 1.00 C ATOM 1311 O GLY A 83 -11.246 -0.191 -7.897 1.00 1.00 O ATOM 1312 H GLY A 83 -9.421 -4.066 -7.191 1.00 1.00 H ATOM 1313 HA2 GLY A 83 -9.552 -1.764 -8.940 1.00 1.00 H ATOM 1314 HA3 GLY A 83 -10.793 -3.009 -8.762 1.00 1.00 H ATOM 1315 N GLN A 84 -11.576 -1.761 -6.312 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.373 -0.906 -5.446 1.00 1.00 C ATOM 1317 C GLN A 84 -11.568 0.288 -4.955 1.00 1.00 C ATOM 1318 O GLN A 84 -12.068 1.395 -5.041 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.956 -1.712 -4.283 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.218 -2.470 -4.705 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.449 -1.579 -4.537 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.890 -1.340 -3.415 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.020 -1.050 -5.607 1.00 1.00 N ATOM 1324 H GLN A 84 -11.353 -2.696 -5.985 1.00 1.00 H ATOM 1325 HA GLN A 84 -13.197 -0.499 -6.033 1.00 1.00 H ATOM 1326 HB2 GLN A 84 -12.209 -2.414 -3.916 1.00 1.00 H ATOM 1327 HB3 GLN A 84 -13.214 -1.039 -3.467 1.00 1.00 H ATOM 1328 HG2 GLN A 84 -14.135 -2.814 -5.735 1.00 1.00 H ATOM 1329 HG3 GLN A 84 -14.327 -3.340 -4.059 1.00 1.00 H ATOM 1330 HE21 GLN A 84 -15.661 -1.203 -6.542 1.00 1.00 H ATOM 1331 HE22 GLN A 84 -16.833 -0.461 -5.466 1.00 1.00 H ATOM 1332 N LEU A 85 -10.330 0.092 -4.515 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.407 1.114 -4.034 1.00 1.00 C ATOM 1334 C LEU A 85 -9.118 2.142 -5.122 1.00 1.00 C ATOM 1335 O LEU A 85 -9.098 3.350 -4.863 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.109 0.413 -3.601 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.011 1.331 -3.071 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.500 1.995 -1.800 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.784 0.505 -2.704 1.00 1.00 C ATOM 1340 H LEU A 85 -9.998 -0.862 -4.477 1.00 1.00 H ATOM 1341 HA LEU A 85 -9.862 1.606 -3.175 1.00 1.00 H ATOM 1342 HB2 LEU A 85 -8.352 -0.296 -2.810 1.00 1.00 H ATOM 1343 HB3 LEU A 85 -7.705 -0.135 -4.451 1.00 1.00 H ATOM 1344 HG LEU A 85 -6.733 2.078 -3.815 1.00 1.00 H ATOM 1345 HD11 LEU A 85 -6.680 2.512 -1.311 1.00 1.00 H ATOM 1346 HD12 LEU A 85 -8.293 2.687 -2.055 1.00 1.00 H ATOM 1347 HD13 LEU A 85 -7.901 1.229 -1.139 1.00 1.00 H ATOM 1348 HD21 LEU A 85 -4.968 1.190 -2.504 1.00 1.00 H ATOM 1349 HD22 LEU A 85 -5.982 -0.102 -1.818 1.00 1.00 H ATOM 1350 HD23 LEU A 85 -5.520 -0.148 -3.525 1.00 1.00 H ATOM 1351 N GLN A 86 -8.901 1.650 -6.345 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.704 2.478 -7.520 1.00 1.00 C ATOM 1353 C GLN A 86 -9.903 3.423 -7.675 1.00 1.00 C ATOM 1354 O GLN A 86 -9.703 4.639 -7.691 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.456 1.564 -8.731 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.761 2.257 -9.908 1.00 1.00 C ATOM 1357 CD GLN A 86 -7.426 1.234 -10.996 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.733 0.253 -10.740 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.896 1.409 -12.218 1.00 1.00 N ATOM 1360 H GLN A 86 -8.867 0.640 -6.463 1.00 1.00 H ATOM 1361 HA GLN A 86 -7.811 3.080 -7.347 1.00 1.00 H ATOM 1362 HB2 GLN A 86 -7.809 0.748 -8.413 1.00 1.00 H ATOM 1363 HB3 GLN A 86 -9.396 1.137 -9.078 1.00 1.00 H ATOM 1364 HG2 GLN A 86 -8.407 3.042 -10.298 1.00 1.00 H ATOM 1365 HG3 GLN A 86 -6.831 2.707 -9.562 1.00 1.00 H ATOM 1366 HE21 GLN A 86 -8.482 2.213 -12.440 1.00 1.00 H ATOM 1367 HE22 GLN A 86 -7.730 0.685 -12.910 1.00 1.00 H ATOM 1368 N ALA A 87 -11.133 2.891 -7.710 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.336 3.726 -7.798 1.00 1.00 C ATOM 1370 C ALA A 87 -12.613 4.528 -6.517 1.00 1.00 C ATOM 1371 O ALA A 87 -13.183 5.613 -6.573 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.554 2.862 -8.130 1.00 1.00 C ATOM 1373 H ALA A 87 -11.230 1.877 -7.664 1.00 1.00 H ATOM 1374 HA ALA A 87 -12.194 4.441 -8.611 1.00 1.00 H ATOM 1375 HB1 ALA A 87 -14.442 3.493 -8.152 1.00 1.00 H ATOM 1376 HB2 ALA A 87 -13.429 2.413 -9.111 1.00 1.00 H ATOM 1377 HB3 ALA A 87 -13.684 2.089 -7.372 1.00 1.00 H ATOM 1378 N ALA A 88 -12.222 4.042 -5.343 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.403 4.744 -4.083 1.00 1.00 C ATOM 1380 C ALA A 88 -11.613 6.046 -4.112 1.00 1.00 C ATOM 1381 O ALA A 88 -12.088 7.066 -3.612 1.00 1.00 O ATOM 1382 CB ALA A 88 -11.983 3.857 -2.911 1.00 1.00 C ATOM 1383 H ALA A 88 -11.827 3.112 -5.314 1.00 1.00 H ATOM 1384 HA ALA A 88 -13.455 4.985 -3.967 1.00 1.00 H ATOM 1385 HB1 ALA A 88 -12.112 4.407 -1.979 1.00 1.00 H ATOM 1386 HB2 ALA A 88 -12.598 2.959 -2.881 1.00 1.00 H ATOM 1387 HB3 ALA A 88 -10.938 3.576 -3.012 1.00 1.00 H ATOM 1388 N THR A 89 -10.440 6.022 -4.746 1.00 1.00 N ATOM 1389 CA THR A 89 -9.634 7.212 -4.921 1.00 1.00 C ATOM 1390 C THR A 89 -10.061 8.041 -6.128 1.00 1.00 C ATOM 1391 O THR A 89 -10.013 9.271 -6.079 1.00 1.00 O ATOM 1392 CB THR A 89 -8.152 6.820 -4.983 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.836 5.961 -3.903 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.277 8.074 -4.906 1.00 1.00 C ATOM 1395 H THR A 89 -10.097 5.134 -5.097 1.00 1.00 H ATOM 1396 HA THR A 89 -9.792 7.834 -4.060 1.00 1.00 H ATOM 1397 HB THR A 89 -7.947 6.293 -5.916 1.00 1.00 H ATOM 1398 HG1 THR A 89 -8.278 5.112 -4.050 1.00 1.00 H ATOM 1399 HG21 THR A 89 -7.626 8.726 -4.108 1.00 1.00 H ATOM 1400 HG22 THR A 89 -6.239 7.816 -4.727 1.00 1.00 H ATOM 1401 HG23 THR A 89 -7.337 8.622 -5.840 1.00 1.00 H ATOM 1402 N HIS A 90 -10.454 7.379 -7.209 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.790 7.982 -8.485 1.00 1.00 C ATOM 1404 C HIS A 90 -11.815 7.134 -9.249 1.00 1.00 C ATOM 1405 O HIS A 90 -11.453 6.369 -10.146 1.00 1.00 O ATOM 1406 CB HIS A 90 -9.487 8.183 -9.288 1.00 1.00 C ATOM 1407 CG HIS A 90 -9.573 9.190 -10.408 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -8.488 9.731 -11.059 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -10.694 9.828 -10.866 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -8.938 10.701 -11.871 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -10.270 10.832 -11.745 1.00 1.00 N ATOM 1412 H HIS A 90 -10.487 6.380 -7.113 1.00 1.00 H ATOM 1413 HA HIS A 90 -11.232 8.948 -8.266 1.00 1.00 H ATOM 1414 HB2 HIS A 90 -8.714 8.542 -8.609 1.00 1.00 H ATOM 1415 HB3 HIS A 90 -9.141 7.229 -9.688 1.00 1.00 H ATOM 1416 HD1 HIS A 90 -7.521 9.425 -10.968 1.00 1.00 H ATOM 1417 HD2 HIS A 90 -11.710 9.636 -10.554 1.00 1.00 H ATOM 1418 HE1 HIS A 90 -8.312 11.308 -12.512 1.00 1.00 H ATOM 1419 N GLN A 91 -13.097 7.253 -8.899 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.174 6.570 -9.606 1.00 1.00 C ATOM 1421 C GLN A 91 -14.371 7.233 -10.952 1.00 1.00 C ATOM 1422 O GLN A 91 -14.204 8.469 -11.047 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.477 6.575 -8.786 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.536 5.589 -9.317 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.701 6.294 -10.010 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.774 6.461 -9.434 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -17.541 6.754 -11.239 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.802 6.523 -11.886 1.00 1.00 O ATOM 1429 H GLN A 91 -13.346 7.950 -8.210 1.00 1.00 H ATOM 1430 HA GLN A 91 -13.863 5.538 -9.761 1.00 1.00 H ATOM 1431 HB2 GLN A 91 -15.251 6.277 -7.767 1.00 1.00 H ATOM 1432 HB3 GLN A 91 -15.887 7.586 -8.746 1.00 1.00 H ATOM 1433 HG2 GLN A 91 -16.084 4.866 -9.997 1.00 1.00 H ATOM 1434 HG3 GLN A 91 -16.936 5.029 -8.472 1.00 1.00 H ATOM 1435 HE21 GLN A 91 -16.589 6.716 -11.626 1.00 1.00 H ATOM 1436 HE22 GLN A 91 -18.203 7.438 -11.611 1.00 1.00 H TER 1437 GLN A 91