HEADER TRANSFERASE 24-JUL-97 1PMR TITLE LIPOYL DOMAIN FROM THE DIHYDROLIPOYL SUCCINYLTRANSFERASE TITLE 2 COMPONENT OF THE 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME TITLE 3 COMPLEX OF ESCHERICHIA COLI, NMR, 25 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROLIPOYL SUCCINYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LIPOYL DOMAIN; COMPND 5 EC: 2.3.1.61; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 CELL_LINE: BL21; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET11C KEYWDS TRANSFERASE, 2-OXOGLUTARATE DEHYDROGENASE, LIPOYL DOMAIN, KEYWDS 2 COMPLEX, NMR, GLYCOLYSIS EXPDTA NMR, 25 STRUCTURES AUTHOR P.M.RICAUD,M.J.HOWARD,E.L.ROBERTS,R.W.BROADHURST,R.N.PERHAM REVDAT 1 29-JUL-98 1PMR 0 JRNL AUTH P.M.RICAUD,M.J.HOWARD,E.L.ROBERTS,R.W.BROADHURST, JRNL AUTH 2 R.N.PERHAM JRNL TITL THREE-DIMENSIONAL STRUCTURE OF THE LIPOYL DOMAIN JRNL TITL 2 FROM THE DIHYDROLIPOYL SUCCINYLTRANSFERASE JRNL TITL 3 COMPONENT OF THE 2-OXOGLUTARATE DEHYDROGENASE JRNL TITL 4 MULTIENZYME COMPLEX OF ESCHERICHIA COLI. JRNL REF J.MOL.BIOL. V. 264 179 1996 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 : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PMR 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 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 72 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 21 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 M RES CSSEQI PSI PHI REMARK 500 1 ASP A 53 -86.50 69.81 REMARK 500 2 ASP A 33 80.45 146.68 REMARK 500 3 ASP A 33 84.70 145.04 REMARK 500 4 ASP A 53 -88.43 60.63 REMARK 500 5 ASP A 33 102.69 143.96 REMARK 500 5 ASP A 53 -117.37 106.65 REMARK 500 6 ASP A 33 80.88 149.60 REMARK 500 7 ALA A 52 160.81 88.81 REMARK 500 7 ASP A 53 -76.95 79.97 REMARK 500 9 ALA A 52 136.95 98.53 REMARK 500 9 ASP A 53 -76.47 101.34 REMARK 500 10 GLU A 12 -93.66 39.05 REMARK 500 10 ALA A 52 162.35 101.58 REMARK 500 11 ASP A 53 -73.82 78.91 REMARK 500 12 ALA A 52 160.99 105.43 REMARK 500 12 ASP A 53 -89.45 74.95 REMARK 500 13 ASP A 33 100.60 146.00 REMARK 500 13 ASP A 53 -93.93 65.84 REMARK 500 14 ASP A 16 163.02 55.64 REMARK 500 14 ASP A 33 84.14 145.32 REMARK 500 15 ASP A 53 -88.80 66.75 REMARK 500 16 ALA A 52 169.37 93.23 REMARK 500 16 ASP A 53 -101.59 69.74 REMARK 500 17 ASP A 33 88.10 144.94 REMARK 500 19 ASP A 53 -81.89 75.34 REMARK 500 20 ALA A 52 164.93 90.65 REMARK 500 20 ASP A 53 -100.54 67.65 REMARK 500 21 ASP A 33 91.02 147.81 REMARK 500 21 ASP A 53 -87.87 67.85 REMARK 500 22 ASP A 53 -77.36 78.26 REMARK 500 23 ASP A 53 -88.43 60.63 REMARK 500 24 ASP A 33 99.16 149.65 REMARK 500 24 ASP A 53 -73.41 79.10 REMARK 500 25 ALA A 52 168.45 94.48 DBREF 1PMR A 1 80 UNP P07016 ODO2_ECOLI 1 80 SEQRES 1 A 80 SER SER VAL ASP ILE LEU VAL PRO ASP LEU PRO GLU SER SEQRES 2 A 80 VAL ALA ASP ALA THR VAL ALA THR TRP HIS LYS LYS PRO SEQRES 3 A 80 GLY ASP ALA VAL VAL ARG ASP GLU VAL LEU VAL GLU ILE SEQRES 4 A 80 GLU THR ASP LYS VAL VAL LEU GLU VAL PRO ALA SER ALA SEQRES 5 A 80 ASP GLY ILE LEU ASP ALA VAL LEU GLU ASP GLU GLY THR SEQRES 6 A 80 THR VAL THR SER ARG GLN ILE LEU GLY ARG LEU ARG GLU SEQRES 7 A 80 GLY ASN SHEET 1 S1 4 GLY A 27 VAL A 30 0 SHEET 2 S1 4 GLY A 54 VAL A 59 -1 SHEET 3 S1 4 GLN A 71 LEU A 76 -1 SHEET 4 S1 4 VAL A 3 VAL A 7 -1 SHEET 1 S2 4 VAL A 44 ALA A 50 0 SHEET 2 S2 4 GLU A 34 THR A 41 -1 SHEET 3 S2 4 ALA A 17 TRP A 22 -1 SHEET 4 S2 4 THR A 65 THR A 68 -1 TURN 1 T1 PRO A 8 ASP A 16 BETA-TURN TURN 2 T2 HIS A 23 PRO A 26 BETA-TURN TURN 3 T3 VAL A 31 ASP A 33 BETA-TURN TURN 4 T4 ASP A 42 LYS A 43 BETA-TURN TURN 5 T5 SER A 51 ASP A 53 BETA-TURN TURN 6 T6 LEU A 60 GLY A 64 BETA-TURN TURN 7 T7 SER A 69 ARG A 70 BETA-TURN 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 SER A 1 12.454 2.648 10.179 1.00 0.00 N ATOM 2 CA SER A 1 12.156 3.427 8.945 1.00 0.00 C ATOM 3 C SER A 1 11.679 2.477 7.845 1.00 0.00 C ATOM 4 O SER A 1 12.441 1.690 7.319 1.00 0.00 O ATOM 5 CB SER A 1 13.421 4.150 8.481 1.00 0.00 C ATOM 6 OG SER A 1 13.059 5.230 7.631 1.00 0.00 O ATOM 7 HA SER A 1 11.383 4.152 9.154 1.00 0.00 H ATOM 8 HB2 SER A 1 13.952 4.534 9.335 1.00 0.00 H ATOM 9 HB3 SER A 1 14.055 3.455 7.947 1.00 0.00 H ATOM 10 HG SER A 1 12.304 5.675 8.021 1.00 0.00 H ATOM 11 H1 SER A 1 12.043 1.696 10.097 1.00 0.00 H ATOM 12 H2 SER A 1 13.483 2.570 10.300 1.00 0.00 H ATOM 13 H3 SER A 1 12.043 3.133 11.003 1.00 0.00 H ATOM 14 N SER A 2 10.424 2.543 7.492 1.00 0.00 N ATOM 15 CA SER A 2 9.902 1.642 6.426 1.00 0.00 C ATOM 16 C SER A 2 8.783 2.351 5.662 1.00 0.00 C ATOM 17 O SER A 2 8.304 3.388 6.072 1.00 0.00 O ATOM 18 CB SER A 2 9.356 0.364 7.060 1.00 0.00 C ATOM 19 OG SER A 2 8.904 0.649 8.377 1.00 0.00 O ATOM 20 H SER A 2 9.826 3.184 7.928 1.00 0.00 H ATOM 21 HA SER A 2 10.699 1.394 5.748 1.00 0.00 H ATOM 22 HB2 SER A 2 8.532 -0.008 6.475 1.00 0.00 H ATOM 23 HB3 SER A 2 10.138 -0.384 7.091 1.00 0.00 H ATOM 24 HG SER A 2 8.122 1.201 8.309 1.00 0.00 H ATOM 25 N VAL A 3 8.353 1.798 4.557 1.00 0.00 N ATOM 26 CA VAL A 3 7.255 2.451 3.788 1.00 0.00 C ATOM 27 C VAL A 3 5.964 2.334 4.587 1.00 0.00 C ATOM 28 O VAL A 3 5.188 1.426 4.378 1.00 0.00 O ATOM 29 CB VAL A 3 7.053 1.749 2.436 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.727 2.194 1.805 1.00 0.00 C ATOM 31 CG2 VAL A 3 8.199 2.099 1.485 1.00 0.00 C ATOM 32 H VAL A 3 8.744 0.957 4.241 1.00 0.00 H ATOM 33 HA VAL A 3 7.491 3.492 3.626 1.00 0.00 H ATOM 34 HB VAL A 3 7.026 0.684 2.594 1.00 0.00 H ATOM 35 HG11 VAL A 3 5.339 3.047 2.342 1.00 0.00 H ATOM 36 HG12 VAL A 3 5.892 2.464 0.771 1.00 0.00 H ATOM 37 HG13 VAL A 3 5.015 1.384 1.854 1.00 0.00 H ATOM 38 HG21 VAL A 3 8.976 2.614 2.028 1.00 0.00 H ATOM 39 HG22 VAL A 3 8.598 1.193 1.054 1.00 0.00 H ATOM 40 HG23 VAL A 3 7.827 2.738 0.696 1.00 0.00 H ATOM 41 N ASP A 4 5.716 3.247 5.486 1.00 0.00 N ATOM 42 CA ASP A 4 4.462 3.191 6.267 1.00 0.00 C ATOM 43 C ASP A 4 3.329 3.615 5.339 1.00 0.00 C ATOM 44 O ASP A 4 2.943 4.765 5.298 1.00 0.00 O ATOM 45 CB ASP A 4 4.566 4.159 7.443 1.00 0.00 C ATOM 46 CG ASP A 4 5.133 3.428 8.662 1.00 0.00 C ATOM 47 OD1 ASP A 4 4.744 2.293 8.881 1.00 0.00 O ATOM 48 OD2 ASP A 4 5.944 4.018 9.356 1.00 0.00 O ATOM 49 H ASP A 4 6.345 3.981 5.634 1.00 0.00 H ATOM 50 HA ASP A 4 4.292 2.186 6.625 1.00 0.00 H ATOM 51 HB2 ASP A 4 5.222 4.975 7.177 1.00 0.00 H ATOM 52 HB3 ASP A 4 3.593 4.544 7.674 1.00 0.00 H ATOM 53 N ILE A 5 2.823 2.702 4.559 1.00 0.00 N ATOM 54 CA ILE A 5 1.753 3.065 3.600 1.00 0.00 C ATOM 55 C ILE A 5 0.399 2.541 4.086 1.00 0.00 C ATOM 56 O ILE A 5 0.282 1.430 4.570 1.00 0.00 O ATOM 57 CB ILE A 5 2.117 2.486 2.223 1.00 0.00 C ATOM 58 CG1 ILE A 5 1.699 3.478 1.138 1.00 0.00 C ATOM 59 CG2 ILE A 5 1.419 1.140 1.990 1.00 0.00 C ATOM 60 CD1 ILE A 5 2.715 4.621 1.074 1.00 0.00 C ATOM 61 H ILE A 5 3.167 1.786 4.586 1.00 0.00 H ATOM 62 HA ILE A 5 1.705 4.140 3.525 1.00 0.00 H ATOM 63 HB ILE A 5 3.185 2.339 2.175 1.00 0.00 H ATOM 64 HG12 ILE A 5 1.662 2.975 0.185 1.00 0.00 H ATOM 65 HG13 ILE A 5 0.725 3.879 1.374 1.00 0.00 H ATOM 66 HG21 ILE A 5 0.353 1.259 2.117 1.00 0.00 H ATOM 67 HG22 ILE A 5 1.626 0.796 0.987 1.00 0.00 H ATOM 68 HG23 ILE A 5 1.787 0.415 2.702 1.00 0.00 H ATOM 69 HD11 ILE A 5 3.452 4.489 1.852 1.00 0.00 H ATOM 70 HD12 ILE A 5 3.203 4.613 0.111 1.00 0.00 H ATOM 71 HD13 ILE A 5 2.207 5.563 1.213 1.00 0.00 H ATOM 72 N LEU A 6 -0.624 3.342 3.952 1.00 0.00 N ATOM 73 CA LEU A 6 -1.979 2.913 4.398 1.00 0.00 C ATOM 74 C LEU A 6 -2.998 3.261 3.309 1.00 0.00 C ATOM 75 O LEU A 6 -2.651 3.417 2.154 1.00 0.00 O ATOM 76 CB LEU A 6 -2.359 3.622 5.711 1.00 0.00 C ATOM 77 CG LEU A 6 -1.245 4.578 6.150 1.00 0.00 C ATOM 78 CD1 LEU A 6 -1.175 5.763 5.185 1.00 0.00 C ATOM 79 CD2 LEU A 6 -1.542 5.090 7.561 1.00 0.00 C ATOM 80 H LEU A 6 -0.500 4.230 3.558 1.00 0.00 H ATOM 81 HA LEU A 6 -1.979 1.846 4.552 1.00 0.00 H ATOM 82 HB2 LEU A 6 -3.270 4.182 5.566 1.00 0.00 H ATOM 83 HB3 LEU A 6 -2.513 2.882 6.482 1.00 0.00 H ATOM 84 HG LEU A 6 -0.299 4.055 6.146 1.00 0.00 H ATOM 85 HD11 LEU A 6 -1.990 5.702 4.481 1.00 0.00 H ATOM 86 HD12 LEU A 6 -1.248 6.685 5.741 1.00 0.00 H ATOM 87 HD13 LEU A 6 -0.235 5.738 4.652 1.00 0.00 H ATOM 88 HD21 LEU A 6 -2.586 4.930 7.789 1.00 0.00 H ATOM 89 HD22 LEU A 6 -0.932 4.557 8.274 1.00 0.00 H ATOM 90 HD23 LEU A 6 -1.322 6.145 7.615 1.00 0.00 H ATOM 91 N VAL A 7 -4.251 3.382 3.658 1.00 0.00 N ATOM 92 CA VAL A 7 -5.277 3.716 2.629 1.00 0.00 C ATOM 93 C VAL A 7 -6.100 4.928 3.083 1.00 0.00 C ATOM 94 O VAL A 7 -7.271 4.801 3.379 1.00 0.00 O ATOM 95 CB VAL A 7 -6.207 2.517 2.435 1.00 0.00 C ATOM 96 CG1 VAL A 7 -7.194 2.814 1.305 1.00 0.00 C ATOM 97 CG2 VAL A 7 -5.375 1.284 2.073 1.00 0.00 C ATOM 98 H VAL A 7 -4.518 3.249 4.591 1.00 0.00 H ATOM 99 HA VAL A 7 -4.787 3.944 1.694 1.00 0.00 H ATOM 100 HB VAL A 7 -6.750 2.331 3.351 1.00 0.00 H ATOM 101 HG11 VAL A 7 -7.767 3.696 1.552 1.00 0.00 H ATOM 102 HG12 VAL A 7 -6.652 2.981 0.387 1.00 0.00 H ATOM 103 HG13 VAL A 7 -7.862 1.974 1.181 1.00 0.00 H ATOM 104 HG21 VAL A 7 -4.492 1.590 1.531 1.00 0.00 H ATOM 105 HG22 VAL A 7 -5.083 0.768 2.975 1.00 0.00 H ATOM 106 HG23 VAL A 7 -5.964 0.621 1.455 1.00 0.00 H ATOM 107 N PRO A 8 -5.463 6.072 3.117 1.00 0.00 N ATOM 108 CA PRO A 8 -6.109 7.333 3.522 1.00 0.00 C ATOM 109 C PRO A 8 -6.890 7.943 2.351 1.00 0.00 C ATOM 110 O PRO A 8 -7.178 9.123 2.339 1.00 0.00 O ATOM 111 CB PRO A 8 -4.928 8.232 3.895 1.00 0.00 C ATOM 112 CG PRO A 8 -3.697 7.667 3.147 1.00 0.00 C ATOM 113 CD PRO A 8 -4.036 6.213 2.767 1.00 0.00 C ATOM 114 HA PRO A 8 -6.747 7.184 4.378 1.00 0.00 H ATOM 115 HB2 PRO A 8 -5.124 9.249 3.581 1.00 0.00 H ATOM 116 HB3 PRO A 8 -4.755 8.198 4.959 1.00 0.00 H ATOM 117 HG2 PRO A 8 -3.507 8.250 2.255 1.00 0.00 H ATOM 118 HG3 PRO A 8 -2.832 7.682 3.791 1.00 0.00 H ATOM 119 HD2 PRO A 8 -3.885 6.054 1.708 1.00 0.00 H ATOM 120 HD3 PRO A 8 -3.442 5.526 3.343 1.00 0.00 H ATOM 121 N ASP A 9 -7.224 7.159 1.362 1.00 0.00 N ATOM 122 CA ASP A 9 -7.968 7.705 0.200 1.00 0.00 C ATOM 123 C ASP A 9 -9.472 7.690 0.486 1.00 0.00 C ATOM 124 O ASP A 9 -10.281 7.804 -0.413 1.00 0.00 O ATOM 125 CB ASP A 9 -7.669 6.842 -1.023 1.00 0.00 C ATOM 126 CG ASP A 9 -6.457 7.406 -1.766 1.00 0.00 C ATOM 127 OD1 ASP A 9 -5.360 7.289 -1.245 1.00 0.00 O ATOM 128 OD2 ASP A 9 -6.647 7.945 -2.844 1.00 0.00 O ATOM 129 H ASP A 9 -6.982 6.213 1.376 1.00 0.00 H ATOM 130 HA ASP A 9 -7.647 8.718 0.011 1.00 0.00 H ATOM 131 HB2 ASP A 9 -7.459 5.828 -0.707 1.00 0.00 H ATOM 132 HB3 ASP A 9 -8.522 6.843 -1.672 1.00 0.00 H ATOM 133 N LEU A 10 -9.850 7.549 1.729 1.00 0.00 N ATOM 134 CA LEU A 10 -11.304 7.524 2.079 1.00 0.00 C ATOM 135 C LEU A 10 -12.062 8.562 1.243 1.00 0.00 C ATOM 136 O LEU A 10 -12.039 9.737 1.553 1.00 0.00 O ATOM 137 CB LEU A 10 -11.499 7.836 3.570 1.00 0.00 C ATOM 138 CG LEU A 10 -10.295 8.610 4.098 1.00 0.00 C ATOM 139 CD1 LEU A 10 -10.763 9.680 5.085 1.00 0.00 C ATOM 140 CD2 LEU A 10 -9.339 7.645 4.804 1.00 0.00 C ATOM 141 H LEU A 10 -9.176 7.455 2.434 1.00 0.00 H ATOM 142 HA LEU A 10 -11.694 6.546 1.876 1.00 0.00 H ATOM 143 HB2 LEU A 10 -12.392 8.431 3.698 1.00 0.00 H ATOM 144 HB3 LEU A 10 -11.600 6.913 4.121 1.00 0.00 H ATOM 145 HG LEU A 10 -9.790 9.078 3.269 1.00 0.00 H ATOM 146 HD11 LEU A 10 -11.820 9.856 4.950 1.00 0.00 H ATOM 147 HD12 LEU A 10 -10.580 9.343 6.095 1.00 0.00 H ATOM 148 HD13 LEU A 10 -10.220 10.596 4.908 1.00 0.00 H ATOM 149 HD21 LEU A 10 -9.181 6.776 4.184 1.00 0.00 H ATOM 150 HD22 LEU A 10 -8.394 8.138 4.979 1.00 0.00 H ATOM 151 HD23 LEU A 10 -9.766 7.341 5.748 1.00 0.00 H ATOM 152 N PRO A 11 -12.712 8.097 0.204 1.00 0.00 N ATOM 153 CA PRO A 11 -13.487 8.964 -0.700 1.00 0.00 C ATOM 154 C PRO A 11 -14.843 9.305 -0.076 1.00 0.00 C ATOM 155 O PRO A 11 -15.012 10.339 0.541 1.00 0.00 O ATOM 156 CB PRO A 11 -13.667 8.105 -1.955 1.00 0.00 C ATOM 157 CG PRO A 11 -13.498 6.634 -1.504 1.00 0.00 C ATOM 158 CD PRO A 11 -12.733 6.666 -0.168 1.00 0.00 C ATOM 159 HA PRO A 11 -12.936 9.859 -0.939 1.00 0.00 H ATOM 160 HB2 PRO A 11 -14.654 8.259 -2.369 1.00 0.00 H ATOM 161 HB3 PRO A 11 -12.913 8.350 -2.684 1.00 0.00 H ATOM 162 HG2 PRO A 11 -14.469 6.176 -1.368 1.00 0.00 H ATOM 163 HG3 PRO A 11 -12.928 6.085 -2.237 1.00 0.00 H ATOM 164 HD2 PRO A 11 -13.258 6.085 0.580 1.00 0.00 H ATOM 165 HD3 PRO A 11 -11.728 6.298 -0.298 1.00 0.00 H ATOM 166 N GLU A 12 -15.811 8.443 -0.232 1.00 0.00 N ATOM 167 CA GLU A 12 -17.154 8.717 0.349 1.00 0.00 C ATOM 168 C GLU A 12 -17.825 7.396 0.731 1.00 0.00 C ATOM 169 O GLU A 12 -19.027 7.251 0.642 1.00 0.00 O ATOM 170 CB GLU A 12 -18.018 9.446 -0.683 1.00 0.00 C ATOM 171 CG GLU A 12 -18.023 10.945 -0.380 1.00 0.00 C ATOM 172 CD GLU A 12 -19.010 11.651 -1.311 1.00 0.00 C ATOM 173 OE1 GLU A 12 -19.713 10.961 -2.030 1.00 0.00 O ATOM 174 OE2 GLU A 12 -19.045 12.870 -1.290 1.00 0.00 O ATOM 175 H GLU A 12 -15.654 7.616 -0.734 1.00 0.00 H ATOM 176 HA GLU A 12 -17.048 9.334 1.229 1.00 0.00 H ATOM 177 HB2 GLU A 12 -17.615 9.279 -1.671 1.00 0.00 H ATOM 178 HB3 GLU A 12 -19.028 9.069 -0.638 1.00 0.00 H ATOM 179 HG2 GLU A 12 -18.319 11.104 0.647 1.00 0.00 H ATOM 180 HG3 GLU A 12 -17.033 11.347 -0.535 1.00 0.00 H ATOM 181 N SER A 13 -17.057 6.430 1.158 1.00 0.00 N ATOM 182 CA SER A 13 -17.653 5.121 1.544 1.00 0.00 C ATOM 183 C SER A 13 -16.634 4.313 2.350 1.00 0.00 C ATOM 184 O SER A 13 -15.447 4.364 2.098 1.00 0.00 O ATOM 185 CB SER A 13 -18.037 4.344 0.284 1.00 0.00 C ATOM 186 OG SER A 13 -18.562 3.076 0.656 1.00 0.00 O ATOM 187 H SER A 13 -16.089 6.568 1.223 1.00 0.00 H ATOM 188 HA SER A 13 -18.534 5.290 2.145 1.00 0.00 H ATOM 189 HB2 SER A 13 -18.787 4.891 -0.264 1.00 0.00 H ATOM 190 HB3 SER A 13 -17.162 4.215 -0.338 1.00 0.00 H ATOM 191 HG SER A 13 -18.030 2.400 0.232 1.00 0.00 H ATOM 192 N VAL A 14 -17.089 3.566 3.320 1.00 0.00 N ATOM 193 CA VAL A 14 -16.147 2.755 4.140 1.00 0.00 C ATOM 194 C VAL A 14 -16.664 1.318 4.238 1.00 0.00 C ATOM 195 O VAL A 14 -16.786 0.763 5.313 1.00 0.00 O ATOM 196 CB VAL A 14 -16.045 3.357 5.542 1.00 0.00 C ATOM 197 CG1 VAL A 14 -17.444 3.489 6.146 1.00 0.00 C ATOM 198 CG2 VAL A 14 -15.193 2.445 6.428 1.00 0.00 C ATOM 199 H VAL A 14 -18.051 3.538 3.507 1.00 0.00 H ATOM 200 HA VAL A 14 -15.172 2.756 3.676 1.00 0.00 H ATOM 201 HB VAL A 14 -15.586 4.333 5.482 1.00 0.00 H ATOM 202 HG11 VAL A 14 -18.184 3.365 5.369 1.00 0.00 H ATOM 203 HG12 VAL A 14 -17.584 2.729 6.900 1.00 0.00 H ATOM 204 HG13 VAL A 14 -17.553 4.466 6.594 1.00 0.00 H ATOM 205 HG21 VAL A 14 -14.862 1.591 5.854 1.00 0.00 H ATOM 206 HG22 VAL A 14 -14.334 2.991 6.788 1.00 0.00 H ATOM 207 HG23 VAL A 14 -15.782 2.106 7.268 1.00 0.00 H ATOM 208 N ALA A 15 -16.968 0.710 3.125 1.00 0.00 N ATOM 209 CA ALA A 15 -17.475 -0.690 3.156 1.00 0.00 C ATOM 210 C ALA A 15 -16.296 -1.661 3.066 1.00 0.00 C ATOM 211 O ALA A 15 -16.383 -2.702 2.445 1.00 0.00 O ATOM 212 CB ALA A 15 -18.415 -0.919 1.971 1.00 0.00 C ATOM 213 H ALA A 15 -16.862 1.174 2.268 1.00 0.00 H ATOM 214 HA ALA A 15 -18.011 -0.859 4.078 1.00 0.00 H ATOM 215 HB1 ALA A 15 -18.135 -0.265 1.158 1.00 0.00 H ATOM 216 HB2 ALA A 15 -18.344 -1.946 1.647 1.00 0.00 H ATOM 217 HB3 ALA A 15 -19.431 -0.706 2.270 1.00 0.00 H ATOM 218 N ASP A 16 -15.194 -1.328 3.679 1.00 0.00 N ATOM 219 CA ASP A 16 -14.011 -2.232 3.626 1.00 0.00 C ATOM 220 C ASP A 16 -13.417 -2.211 2.215 1.00 0.00 C ATOM 221 O ASP A 16 -13.848 -1.461 1.363 1.00 0.00 O ATOM 222 CB ASP A 16 -14.440 -3.657 3.977 1.00 0.00 C ATOM 223 CG ASP A 16 -15.503 -3.614 5.076 1.00 0.00 C ATOM 224 OD1 ASP A 16 -15.348 -2.824 5.993 1.00 0.00 O ATOM 225 OD2 ASP A 16 -16.455 -4.373 4.983 1.00 0.00 O ATOM 226 H ASP A 16 -15.143 -0.483 4.174 1.00 0.00 H ATOM 227 HA ASP A 16 -13.267 -1.895 4.334 1.00 0.00 H ATOM 228 HB2 ASP A 16 -14.848 -4.138 3.099 1.00 0.00 H ATOM 229 HB3 ASP A 16 -13.585 -4.215 4.328 1.00 0.00 H ATOM 230 N ALA A 17 -12.433 -3.030 1.961 1.00 0.00 N ATOM 231 CA ALA A 17 -11.819 -3.054 0.603 1.00 0.00 C ATOM 232 C ALA A 17 -10.864 -4.245 0.491 1.00 0.00 C ATOM 233 O ALA A 17 -10.896 -5.153 1.296 1.00 0.00 O ATOM 234 CB ALA A 17 -11.048 -1.754 0.367 1.00 0.00 C ATOM 235 H ALA A 17 -12.101 -3.631 2.661 1.00 0.00 H ATOM 236 HA ALA A 17 -12.598 -3.150 -0.136 1.00 0.00 H ATOM 237 HB1 ALA A 17 -10.877 -1.260 1.312 1.00 0.00 H ATOM 238 HB2 ALA A 17 -10.100 -1.976 -0.099 1.00 0.00 H ATOM 239 HB3 ALA A 17 -11.623 -1.106 -0.278 1.00 0.00 H ATOM 240 N THR A 18 -10.017 -4.255 -0.506 1.00 0.00 N ATOM 241 CA THR A 18 -9.074 -5.400 -0.658 1.00 0.00 C ATOM 242 C THR A 18 -7.858 -4.999 -1.501 1.00 0.00 C ATOM 243 O THR A 18 -7.983 -4.399 -2.550 1.00 0.00 O ATOM 244 CB THR A 18 -9.804 -6.563 -1.335 1.00 0.00 C ATOM 245 OG1 THR A 18 -10.747 -7.118 -0.429 1.00 0.00 O ATOM 246 CG2 THR A 18 -8.794 -7.635 -1.745 1.00 0.00 C ATOM 247 H THR A 18 -10.007 -3.520 -1.150 1.00 0.00 H ATOM 248 HA THR A 18 -8.738 -5.708 0.318 1.00 0.00 H ATOM 249 HB THR A 18 -10.318 -6.200 -2.215 1.00 0.00 H ATOM 250 HG1 THR A 18 -11.494 -6.518 -0.373 1.00 0.00 H ATOM 251 HG21 THR A 18 -8.218 -7.936 -0.883 1.00 0.00 H ATOM 252 HG22 THR A 18 -9.319 -8.489 -2.146 1.00 0.00 H ATOM 253 HG23 THR A 18 -8.131 -7.234 -2.499 1.00 0.00 H ATOM 254 N VAL A 19 -6.678 -5.339 -1.044 1.00 0.00 N ATOM 255 CA VAL A 19 -5.440 -4.998 -1.803 1.00 0.00 C ATOM 256 C VAL A 19 -5.355 -5.861 -3.061 1.00 0.00 C ATOM 257 O VAL A 19 -4.713 -6.889 -3.078 1.00 0.00 O ATOM 258 CB VAL A 19 -4.224 -5.261 -0.914 1.00 0.00 C ATOM 259 CG1 VAL A 19 -2.959 -4.772 -1.618 1.00 0.00 C ATOM 260 CG2 VAL A 19 -4.397 -4.514 0.410 1.00 0.00 C ATOM 261 H VAL A 19 -6.606 -5.826 -0.198 1.00 0.00 H ATOM 262 HA VAL A 19 -5.457 -3.960 -2.084 1.00 0.00 H ATOM 263 HB VAL A 19 -4.144 -6.320 -0.721 1.00 0.00 H ATOM 264 HG11 VAL A 19 -3.220 -4.371 -2.586 1.00 0.00 H ATOM 265 HG12 VAL A 19 -2.492 -4.002 -1.023 1.00 0.00 H ATOM 266 HG13 VAL A 19 -2.275 -5.597 -1.742 1.00 0.00 H ATOM 267 HG21 VAL A 19 -5.316 -3.950 0.387 1.00 0.00 H ATOM 268 HG22 VAL A 19 -4.430 -5.224 1.222 1.00 0.00 H ATOM 269 HG23 VAL A 19 -3.565 -3.841 0.555 1.00 0.00 H ATOM 270 N ALA A 20 -6.006 -5.453 -4.113 1.00 0.00 N ATOM 271 CA ALA A 20 -5.975 -6.253 -5.368 1.00 0.00 C ATOM 272 C ALA A 20 -4.573 -6.825 -5.601 1.00 0.00 C ATOM 273 O ALA A 20 -4.398 -8.026 -5.659 1.00 0.00 O ATOM 274 CB ALA A 20 -6.370 -5.367 -6.551 1.00 0.00 C ATOM 275 H ALA A 20 -6.525 -4.624 -4.075 1.00 0.00 H ATOM 276 HA ALA A 20 -6.678 -7.070 -5.281 1.00 0.00 H ATOM 277 HB1 ALA A 20 -7.102 -4.643 -6.230 1.00 0.00 H ATOM 278 HB2 ALA A 20 -5.495 -4.853 -6.924 1.00 0.00 H ATOM 279 HB3 ALA A 20 -6.789 -5.979 -7.336 1.00 0.00 H ATOM 280 N THR A 21 -3.568 -5.996 -5.738 1.00 0.00 N ATOM 281 CA THR A 21 -2.203 -6.553 -5.970 1.00 0.00 C ATOM 282 C THR A 21 -1.126 -5.470 -5.839 1.00 0.00 C ATOM 283 O THR A 21 -1.198 -4.424 -6.453 1.00 0.00 O ATOM 284 CB THR A 21 -2.137 -7.154 -7.379 1.00 0.00 C ATOM 285 OG1 THR A 21 -2.927 -8.333 -7.430 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.687 -7.496 -7.726 1.00 0.00 C ATOM 287 H THR A 21 -3.711 -5.024 -5.694 1.00 0.00 H ATOM 288 HA THR A 21 -2.011 -7.331 -5.248 1.00 0.00 H ATOM 289 HB THR A 21 -2.513 -6.438 -8.093 1.00 0.00 H ATOM 290 HG1 THR A 21 -3.107 -8.530 -8.352 1.00 0.00 H ATOM 291 HG21 THR A 21 -0.100 -7.541 -6.820 1.00 0.00 H ATOM 292 HG22 THR A 21 -0.653 -8.453 -8.226 1.00 0.00 H ATOM 293 HG23 THR A 21 -0.284 -6.736 -8.378 1.00 0.00 H ATOM 294 N TRP A 22 -0.111 -5.740 -5.060 1.00 0.00 N ATOM 295 CA TRP A 22 1.005 -4.767 -4.894 1.00 0.00 C ATOM 296 C TRP A 22 1.796 -4.694 -6.204 1.00 0.00 C ATOM 297 O TRP A 22 1.385 -5.207 -7.225 1.00 0.00 O ATOM 298 CB TRP A 22 1.958 -5.285 -3.813 1.00 0.00 C ATOM 299 CG TRP A 22 1.559 -4.812 -2.453 1.00 0.00 C ATOM 300 CD1 TRP A 22 0.628 -5.400 -1.673 1.00 0.00 C ATOM 301 CD2 TRP A 22 2.090 -3.694 -1.686 1.00 0.00 C ATOM 302 NE1 TRP A 22 0.555 -4.724 -0.476 1.00 0.00 N ATOM 303 CE2 TRP A 22 1.438 -3.658 -0.432 1.00 0.00 C ATOM 304 CE3 TRP A 22 3.063 -2.717 -1.954 1.00 0.00 C ATOM 305 CZ2 TRP A 22 1.751 -2.687 0.526 1.00 0.00 C ATOM 306 CZ3 TRP A 22 3.376 -1.743 -0.997 1.00 0.00 C ATOM 307 CH2 TRP A 22 2.728 -1.726 0.238 1.00 0.00 C ATOM 308 H TRP A 22 -0.073 -6.598 -4.590 1.00 0.00 H ATOM 309 HA TRP A 22 0.628 -3.795 -4.626 1.00 0.00 H ATOM 310 HB2 TRP A 22 1.949 -6.364 -3.823 1.00 0.00 H ATOM 311 HB3 TRP A 22 2.959 -4.942 -4.026 1.00 0.00 H ATOM 312 HD1 TRP A 22 0.038 -6.258 -1.937 1.00 0.00 H ATOM 313 HE1 TRP A 22 -0.043 -4.959 0.255 1.00 0.00 H ATOM 314 HE3 TRP A 22 3.570 -2.714 -2.902 1.00 0.00 H ATOM 315 HZ2 TRP A 22 1.249 -2.680 1.481 1.00 0.00 H ATOM 316 HZ3 TRP A 22 4.121 -0.999 -1.217 1.00 0.00 H ATOM 317 HH2 TRP A 22 2.988 -0.972 0.969 1.00 0.00 H ATOM 318 N HIS A 23 2.947 -4.086 -6.161 1.00 0.00 N ATOM 319 CA HIS A 23 3.811 -3.996 -7.368 1.00 0.00 C ATOM 320 C HIS A 23 5.257 -3.885 -6.889 1.00 0.00 C ATOM 321 O HIS A 23 6.121 -3.377 -7.577 1.00 0.00 O ATOM 322 CB HIS A 23 3.442 -2.762 -8.195 1.00 0.00 C ATOM 323 CG HIS A 23 1.947 -2.646 -8.285 1.00 0.00 C ATOM 324 ND1 HIS A 23 1.231 -1.730 -7.532 1.00 0.00 N ATOM 325 CD2 HIS A 23 1.019 -3.324 -9.036 1.00 0.00 C ATOM 326 CE1 HIS A 23 -0.069 -1.879 -7.843 1.00 0.00 C ATOM 327 NE2 HIS A 23 -0.255 -2.837 -8.755 1.00 0.00 N ATOM 328 H HIS A 23 3.259 -3.705 -5.316 1.00 0.00 H ATOM 329 HA HIS A 23 3.694 -4.888 -7.966 1.00 0.00 H ATOM 330 HB2 HIS A 23 3.845 -1.878 -7.725 1.00 0.00 H ATOM 331 HB3 HIS A 23 3.855 -2.860 -9.188 1.00 0.00 H ATOM 332 HD1 HIS A 23 1.604 -1.090 -6.891 1.00 0.00 H ATOM 333 HD2 HIS A 23 1.242 -4.114 -9.737 1.00 0.00 H ATOM 334 HE1 HIS A 23 -0.864 -1.297 -7.406 1.00 0.00 H ATOM 335 N LYS A 24 5.515 -4.354 -5.695 1.00 0.00 N ATOM 336 CA LYS A 24 6.891 -4.280 -5.134 1.00 0.00 C ATOM 337 C LYS A 24 7.450 -5.692 -4.947 1.00 0.00 C ATOM 338 O LYS A 24 6.840 -6.534 -4.320 1.00 0.00 O ATOM 339 CB LYS A 24 6.841 -3.577 -3.770 1.00 0.00 C ATOM 340 CG LYS A 24 8.242 -3.094 -3.375 1.00 0.00 C ATOM 341 CD LYS A 24 8.916 -2.395 -4.561 1.00 0.00 C ATOM 342 CE LYS A 24 7.934 -1.430 -5.224 1.00 0.00 C ATOM 343 NZ LYS A 24 8.557 -0.849 -6.445 1.00 0.00 N ATOM 344 H LYS A 24 4.794 -4.750 -5.163 1.00 0.00 H ATOM 345 HA LYS A 24 7.525 -3.728 -5.808 1.00 0.00 H ATOM 346 HB2 LYS A 24 6.169 -2.734 -3.824 1.00 0.00 H ATOM 347 HB3 LYS A 24 6.481 -4.272 -3.022 1.00 0.00 H ATOM 348 HG2 LYS A 24 8.160 -2.400 -2.550 1.00 0.00 H ATOM 349 HG3 LYS A 24 8.840 -3.939 -3.073 1.00 0.00 H ATOM 350 HD2 LYS A 24 9.778 -1.846 -4.210 1.00 0.00 H ATOM 351 HD3 LYS A 24 9.232 -3.135 -5.281 1.00 0.00 H ATOM 352 HE2 LYS A 24 7.036 -1.963 -5.497 1.00 0.00 H ATOM 353 HE3 LYS A 24 7.686 -0.637 -4.533 1.00 0.00 H ATOM 354 HZ1 LYS A 24 9.482 -0.440 -6.202 1.00 0.00 H ATOM 355 HZ2 LYS A 24 8.687 -1.595 -7.157 1.00 0.00 H ATOM 356 HZ3 LYS A 24 7.938 -0.105 -6.829 1.00 0.00 H ATOM 357 N LYS A 25 8.614 -5.949 -5.475 1.00 0.00 N ATOM 358 CA LYS A 25 9.221 -7.298 -5.313 1.00 0.00 C ATOM 359 C LYS A 25 9.688 -7.443 -3.862 1.00 0.00 C ATOM 360 O LYS A 25 9.589 -6.509 -3.090 1.00 0.00 O ATOM 361 CB LYS A 25 10.406 -7.436 -6.270 1.00 0.00 C ATOM 362 CG LYS A 25 10.130 -8.564 -7.267 1.00 0.00 C ATOM 363 CD LYS A 25 9.714 -7.966 -8.612 1.00 0.00 C ATOM 364 CE LYS A 25 8.362 -7.266 -8.465 1.00 0.00 C ATOM 365 NZ LYS A 25 7.296 -8.110 -9.077 1.00 0.00 N ATOM 366 H LYS A 25 9.093 -5.253 -5.964 1.00 0.00 H ATOM 367 HA LYS A 25 8.484 -8.056 -5.534 1.00 0.00 H ATOM 368 HB2 LYS A 25 10.544 -6.509 -6.807 1.00 0.00 H ATOM 369 HB3 LYS A 25 11.300 -7.665 -5.709 1.00 0.00 H ATOM 370 HG2 LYS A 25 11.023 -9.158 -7.396 1.00 0.00 H ATOM 371 HG3 LYS A 25 9.333 -9.189 -6.891 1.00 0.00 H ATOM 372 HD2 LYS A 25 10.457 -7.251 -8.933 1.00 0.00 H ATOM 373 HD3 LYS A 25 9.631 -8.754 -9.346 1.00 0.00 H ATOM 374 HE2 LYS A 25 8.146 -7.118 -7.417 1.00 0.00 H ATOM 375 HE3 LYS A 25 8.396 -6.309 -8.964 1.00 0.00 H ATOM 376 HZ1 LYS A 25 7.670 -8.574 -9.930 1.00 0.00 H ATOM 377 HZ2 LYS A 25 6.989 -8.830 -8.395 1.00 0.00 H ATOM 378 HZ3 LYS A 25 6.486 -7.512 -9.334 1.00 0.00 H ATOM 379 N PRO A 26 10.175 -8.608 -3.523 1.00 0.00 N ATOM 380 CA PRO A 26 10.636 -8.891 -2.155 1.00 0.00 C ATOM 381 C PRO A 26 11.926 -8.133 -1.841 1.00 0.00 C ATOM 382 O PRO A 26 13.017 -8.577 -2.139 1.00 0.00 O ATOM 383 CB PRO A 26 10.842 -10.409 -2.147 1.00 0.00 C ATOM 384 CG PRO A 26 11.008 -10.834 -3.622 1.00 0.00 C ATOM 385 CD PRO A 26 10.337 -9.734 -4.467 1.00 0.00 C ATOM 386 HA PRO A 26 9.871 -8.629 -1.444 1.00 0.00 H ATOM 387 HB2 PRO A 26 11.730 -10.660 -1.582 1.00 0.00 H ATOM 388 HB3 PRO A 26 9.979 -10.899 -1.723 1.00 0.00 H ATOM 389 HG2 PRO A 26 12.058 -10.907 -3.870 1.00 0.00 H ATOM 390 HG3 PRO A 26 10.516 -11.778 -3.797 1.00 0.00 H ATOM 391 HD2 PRO A 26 10.977 -9.455 -5.290 1.00 0.00 H ATOM 392 HD3 PRO A 26 9.374 -10.063 -4.825 1.00 0.00 H ATOM 393 N GLY A 27 11.797 -6.991 -1.220 1.00 0.00 N ATOM 394 CA GLY A 27 12.992 -6.186 -0.855 1.00 0.00 C ATOM 395 C GLY A 27 13.453 -5.335 -2.039 1.00 0.00 C ATOM 396 O GLY A 27 14.635 -5.171 -2.266 1.00 0.00 O ATOM 397 H GLY A 27 10.903 -6.667 -0.981 1.00 0.00 H ATOM 398 HA2 GLY A 27 12.738 -5.536 -0.031 1.00 0.00 H ATOM 399 HA3 GLY A 27 13.791 -6.845 -0.559 1.00 0.00 H ATOM 400 N ASP A 28 12.542 -4.773 -2.784 1.00 0.00 N ATOM 401 CA ASP A 28 12.955 -3.921 -3.927 1.00 0.00 C ATOM 402 C ASP A 28 13.682 -2.669 -3.416 1.00 0.00 C ATOM 403 O ASP A 28 14.126 -2.617 -2.286 1.00 0.00 O ATOM 404 CB ASP A 28 11.713 -3.530 -4.715 1.00 0.00 C ATOM 405 CG ASP A 28 11.498 -4.538 -5.843 1.00 0.00 C ATOM 406 OD1 ASP A 28 12.114 -5.590 -5.791 1.00 0.00 O ATOM 407 OD2 ASP A 28 10.733 -4.237 -6.744 1.00 0.00 O ATOM 408 H ASP A 28 11.588 -4.901 -2.589 1.00 0.00 H ATOM 409 HA ASP A 28 13.621 -4.482 -4.567 1.00 0.00 H ATOM 410 HB2 ASP A 28 10.858 -3.542 -4.056 1.00 0.00 H ATOM 411 HB3 ASP A 28 11.836 -2.549 -5.125 1.00 0.00 H ATOM 412 N ALA A 29 13.819 -1.667 -4.245 1.00 0.00 N ATOM 413 CA ALA A 29 14.526 -0.424 -3.826 1.00 0.00 C ATOM 414 C ALA A 29 14.189 0.708 -4.804 1.00 0.00 C ATOM 415 O ALA A 29 14.936 0.993 -5.721 1.00 0.00 O ATOM 416 CB ALA A 29 16.032 -0.677 -3.842 1.00 0.00 C ATOM 417 H ALA A 29 13.465 -1.734 -5.148 1.00 0.00 H ATOM 418 HA ALA A 29 14.217 -0.150 -2.830 1.00 0.00 H ATOM 419 HB1 ALA A 29 16.220 -1.735 -3.728 1.00 0.00 H ATOM 420 HB2 ALA A 29 16.442 -0.338 -4.781 1.00 0.00 H ATOM 421 HB3 ALA A 29 16.496 -0.139 -3.029 1.00 0.00 H ATOM 422 N VAL A 30 13.066 1.349 -4.623 1.00 0.00 N ATOM 423 CA VAL A 30 12.669 2.453 -5.542 1.00 0.00 C ATOM 424 C VAL A 30 13.419 3.744 -5.176 1.00 0.00 C ATOM 425 O VAL A 30 14.321 3.746 -4.360 1.00 0.00 O ATOM 426 CB VAL A 30 11.141 2.669 -5.446 1.00 0.00 C ATOM 427 CG1 VAL A 30 10.812 3.922 -4.621 1.00 0.00 C ATOM 428 CG2 VAL A 30 10.575 2.828 -6.859 1.00 0.00 C ATOM 429 H VAL A 30 12.479 1.095 -3.890 1.00 0.00 H ATOM 430 HA VAL A 30 12.922 2.175 -6.555 1.00 0.00 H ATOM 431 HB VAL A 30 10.684 1.811 -4.972 1.00 0.00 H ATOM 432 HG11 VAL A 30 11.534 4.025 -3.826 1.00 0.00 H ATOM 433 HG12 VAL A 30 10.848 4.793 -5.256 1.00 0.00 H ATOM 434 HG13 VAL A 30 9.827 3.826 -4.198 1.00 0.00 H ATOM 435 HG21 VAL A 30 11.055 2.122 -7.520 1.00 0.00 H ATOM 436 HG22 VAL A 30 9.512 2.642 -6.847 1.00 0.00 H ATOM 437 HG23 VAL A 30 10.762 3.832 -7.211 1.00 0.00 H ATOM 438 N VAL A 31 13.034 4.841 -5.777 1.00 0.00 N ATOM 439 CA VAL A 31 13.700 6.142 -5.479 1.00 0.00 C ATOM 440 C VAL A 31 12.627 7.221 -5.260 1.00 0.00 C ATOM 441 O VAL A 31 11.952 7.233 -4.252 1.00 0.00 O ATOM 442 CB VAL A 31 14.598 6.524 -6.659 1.00 0.00 C ATOM 443 CG1 VAL A 31 15.907 5.740 -6.577 1.00 0.00 C ATOM 444 CG2 VAL A 31 13.885 6.185 -7.970 1.00 0.00 C ATOM 445 H VAL A 31 12.299 4.808 -6.424 1.00 0.00 H ATOM 446 HA VAL A 31 14.300 6.043 -4.586 1.00 0.00 H ATOM 447 HB VAL A 31 14.810 7.583 -6.622 1.00 0.00 H ATOM 448 HG11 VAL A 31 15.827 4.985 -5.809 1.00 0.00 H ATOM 449 HG12 VAL A 31 16.104 5.269 -7.528 1.00 0.00 H ATOM 450 HG13 VAL A 31 16.716 6.414 -6.336 1.00 0.00 H ATOM 451 HG21 VAL A 31 12.816 6.192 -7.811 1.00 0.00 H ATOM 452 HG22 VAL A 31 14.141 6.919 -8.720 1.00 0.00 H ATOM 453 HG23 VAL A 31 14.193 5.206 -8.305 1.00 0.00 H ATOM 454 N ARG A 32 12.452 8.123 -6.192 1.00 0.00 N ATOM 455 CA ARG A 32 11.412 9.175 -6.016 1.00 0.00 C ATOM 456 C ARG A 32 10.109 8.693 -6.655 1.00 0.00 C ATOM 457 O ARG A 32 9.619 9.285 -7.590 1.00 0.00 O ATOM 458 CB ARG A 32 11.870 10.468 -6.695 1.00 0.00 C ATOM 459 CG ARG A 32 12.918 11.160 -5.819 1.00 0.00 C ATOM 460 CD ARG A 32 12.684 12.671 -5.840 1.00 0.00 C ATOM 461 NE ARG A 32 13.162 13.266 -4.561 1.00 0.00 N ATOM 462 CZ ARG A 32 13.198 14.562 -4.417 1.00 0.00 C ATOM 463 NH1 ARG A 32 13.605 15.316 -5.401 1.00 0.00 N ATOM 464 NH2 ARG A 32 12.827 15.105 -3.289 1.00 0.00 N ATOM 465 H ARG A 32 12.992 8.106 -7.007 1.00 0.00 H ATOM 466 HA ARG A 32 11.253 9.355 -4.962 1.00 0.00 H ATOM 467 HB2 ARG A 32 12.300 10.235 -7.658 1.00 0.00 H ATOM 468 HB3 ARG A 32 11.024 11.125 -6.826 1.00 0.00 H ATOM 469 HG2 ARG A 32 12.838 10.795 -4.806 1.00 0.00 H ATOM 470 HG3 ARG A 32 13.905 10.945 -6.203 1.00 0.00 H ATOM 471 HD2 ARG A 32 13.227 13.108 -6.666 1.00 0.00 H ATOM 472 HD3 ARG A 32 11.629 12.870 -5.958 1.00 0.00 H ATOM 473 HE ARG A 32 13.450 12.683 -3.827 1.00 0.00 H ATOM 474 HH11 ARG A 32 13.890 14.901 -6.265 1.00 0.00 H ATOM 475 HH12 ARG A 32 13.632 16.310 -5.291 1.00 0.00 H ATOM 476 HH21 ARG A 32 12.514 14.527 -2.535 1.00 0.00 H ATOM 477 HH22 ARG A 32 12.855 16.099 -3.180 1.00 0.00 H ATOM 478 N ASP A 33 9.570 7.610 -6.151 1.00 0.00 N ATOM 479 CA ASP A 33 8.301 7.028 -6.701 1.00 0.00 C ATOM 480 C ASP A 33 8.289 5.529 -6.401 1.00 0.00 C ATOM 481 O ASP A 33 8.877 4.743 -7.115 1.00 0.00 O ATOM 482 CB ASP A 33 8.221 7.232 -8.218 1.00 0.00 C ATOM 483 CG ASP A 33 7.452 8.520 -8.533 1.00 0.00 C ATOM 484 OD1 ASP A 33 6.658 8.931 -7.702 1.00 0.00 O ATOM 485 OD2 ASP A 33 7.673 9.073 -9.598 1.00 0.00 O ATOM 486 H ASP A 33 10.013 7.163 -5.400 1.00 0.00 H ATOM 487 HA ASP A 33 7.452 7.498 -6.225 1.00 0.00 H ATOM 488 HB2 ASP A 33 9.222 7.301 -8.620 1.00 0.00 H ATOM 489 HB3 ASP A 33 7.711 6.392 -8.667 1.00 0.00 H ATOM 490 N GLU A 34 7.650 5.124 -5.338 1.00 0.00 N ATOM 491 CA GLU A 34 7.645 3.673 -4.992 1.00 0.00 C ATOM 492 C GLU A 34 6.411 2.962 -5.552 1.00 0.00 C ATOM 493 O GLU A 34 5.709 3.465 -6.408 1.00 0.00 O ATOM 494 CB GLU A 34 7.648 3.524 -3.479 1.00 0.00 C ATOM 495 CG GLU A 34 8.473 2.299 -3.080 1.00 0.00 C ATOM 496 CD GLU A 34 7.623 1.367 -2.215 1.00 0.00 C ATOM 497 OE1 GLU A 34 7.342 1.731 -1.085 1.00 0.00 O ATOM 498 OE2 GLU A 34 7.274 0.300 -2.692 1.00 0.00 O ATOM 499 H GLU A 34 7.198 5.775 -4.753 1.00 0.00 H ATOM 500 HA GLU A 34 8.532 3.210 -5.391 1.00 0.00 H ATOM 501 HB2 GLU A 34 8.079 4.410 -3.035 1.00 0.00 H ATOM 502 HB3 GLU A 34 6.636 3.401 -3.135 1.00 0.00 H ATOM 503 HG2 GLU A 34 8.790 1.774 -3.971 1.00 0.00 H ATOM 504 HG3 GLU A 34 9.341 2.614 -2.521 1.00 0.00 H ATOM 505 N VAL A 35 6.167 1.775 -5.062 1.00 0.00 N ATOM 506 CA VAL A 35 5.008 0.963 -5.524 1.00 0.00 C ATOM 507 C VAL A 35 3.715 1.768 -5.452 1.00 0.00 C ATOM 508 O VAL A 35 3.622 2.765 -4.771 1.00 0.00 O ATOM 509 CB VAL A 35 4.872 -0.261 -4.616 1.00 0.00 C ATOM 510 CG1 VAL A 35 4.739 0.195 -3.160 1.00 0.00 C ATOM 511 CG2 VAL A 35 3.626 -1.055 -5.008 1.00 0.00 C ATOM 512 H VAL A 35 6.765 1.409 -4.383 1.00 0.00 H ATOM 513 HA VAL A 35 5.176 0.638 -6.537 1.00 0.00 H ATOM 514 HB VAL A 35 5.745 -0.884 -4.717 1.00 0.00 H ATOM 515 HG11 VAL A 35 5.096 1.210 -3.068 1.00 0.00 H ATOM 516 HG12 VAL A 35 3.701 0.149 -2.863 1.00 0.00 H ATOM 517 HG13 VAL A 35 5.324 -0.452 -2.526 1.00 0.00 H ATOM 518 HG21 VAL A 35 3.551 -1.098 -6.083 1.00 0.00 H ATOM 519 HG22 VAL A 35 3.701 -2.055 -4.614 1.00 0.00 H ATOM 520 HG23 VAL A 35 2.750 -0.574 -4.604 1.00 0.00 H ATOM 521 N LEU A 36 2.710 1.305 -6.143 1.00 0.00 N ATOM 522 CA LEU A 36 1.390 1.970 -6.140 1.00 0.00 C ATOM 523 C LEU A 36 0.352 0.858 -6.099 1.00 0.00 C ATOM 524 O LEU A 36 -0.450 0.701 -6.996 1.00 0.00 O ATOM 525 CB LEU A 36 1.207 2.786 -7.421 1.00 0.00 C ATOM 526 CG LEU A 36 2.569 3.097 -8.047 1.00 0.00 C ATOM 527 CD1 LEU A 36 2.968 1.958 -8.987 1.00 0.00 C ATOM 528 CD2 LEU A 36 2.480 4.403 -8.838 1.00 0.00 C ATOM 529 H LEU A 36 2.817 0.488 -6.658 1.00 0.00 H ATOM 530 HA LEU A 36 1.292 2.606 -5.272 1.00 0.00 H ATOM 531 HB2 LEU A 36 0.615 2.216 -8.120 1.00 0.00 H ATOM 532 HB3 LEU A 36 0.703 3.708 -7.187 1.00 0.00 H ATOM 533 HG LEU A 36 3.310 3.195 -7.266 1.00 0.00 H ATOM 534 HD11 LEU A 36 2.816 1.011 -8.490 1.00 0.00 H ATOM 535 HD12 LEU A 36 2.361 1.998 -9.878 1.00 0.00 H ATOM 536 HD13 LEU A 36 4.008 2.060 -9.256 1.00 0.00 H ATOM 537 HD21 LEU A 36 2.041 5.171 -8.217 1.00 0.00 H ATOM 538 HD22 LEU A 36 3.470 4.708 -9.142 1.00 0.00 H ATOM 539 HD23 LEU A 36 1.865 4.252 -9.713 1.00 0.00 H ATOM 540 N VAL A 37 0.407 0.062 -5.067 1.00 0.00 N ATOM 541 CA VAL A 37 -0.524 -1.089 -4.924 1.00 0.00 C ATOM 542 C VAL A 37 -1.931 -0.708 -5.401 1.00 0.00 C ATOM 543 O VAL A 37 -2.237 0.446 -5.629 1.00 0.00 O ATOM 544 CB VAL A 37 -0.550 -1.494 -3.451 1.00 0.00 C ATOM 545 CG1 VAL A 37 -1.460 -0.547 -2.682 1.00 0.00 C ATOM 546 CG2 VAL A 37 -1.064 -2.925 -3.308 1.00 0.00 C ATOM 547 H VAL A 37 1.092 0.211 -4.385 1.00 0.00 H ATOM 548 HA VAL A 37 -0.160 -1.917 -5.512 1.00 0.00 H ATOM 549 HB VAL A 37 0.450 -1.430 -3.047 1.00 0.00 H ATOM 550 HG11 VAL A 37 -1.705 0.299 -3.308 1.00 0.00 H ATOM 551 HG12 VAL A 37 -2.363 -1.064 -2.402 1.00 0.00 H ATOM 552 HG13 VAL A 37 -0.950 -0.203 -1.798 1.00 0.00 H ATOM 553 HG21 VAL A 37 -1.165 -3.369 -4.285 1.00 0.00 H ATOM 554 HG22 VAL A 37 -0.360 -3.499 -2.721 1.00 0.00 H ATOM 555 HG23 VAL A 37 -2.022 -2.915 -2.812 1.00 0.00 H ATOM 556 N GLU A 38 -2.792 -1.674 -5.544 1.00 0.00 N ATOM 557 CA GLU A 38 -4.172 -1.384 -6.005 1.00 0.00 C ATOM 558 C GLU A 38 -5.155 -2.093 -5.082 1.00 0.00 C ATOM 559 O GLU A 38 -5.241 -3.304 -5.066 1.00 0.00 O ATOM 560 CB GLU A 38 -4.348 -1.901 -7.433 1.00 0.00 C ATOM 561 CG GLU A 38 -3.739 -0.899 -8.417 1.00 0.00 C ATOM 562 CD GLU A 38 -4.780 -0.522 -9.472 1.00 0.00 C ATOM 563 OE1 GLU A 38 -5.708 -1.292 -9.663 1.00 0.00 O ATOM 564 OE2 GLU A 38 -4.630 0.529 -10.073 1.00 0.00 O ATOM 565 H GLU A 38 -2.532 -2.594 -5.340 1.00 0.00 H ATOM 566 HA GLU A 38 -4.349 -0.319 -5.977 1.00 0.00 H ATOM 567 HB2 GLU A 38 -3.851 -2.854 -7.533 1.00 0.00 H ATOM 568 HB3 GLU A 38 -5.400 -2.019 -7.646 1.00 0.00 H ATOM 569 HG2 GLU A 38 -3.429 -0.013 -7.883 1.00 0.00 H ATOM 570 HG3 GLU A 38 -2.883 -1.346 -8.901 1.00 0.00 H ATOM 571 N ILE A 39 -5.888 -1.353 -4.307 1.00 0.00 N ATOM 572 CA ILE A 39 -6.851 -1.990 -3.378 1.00 0.00 C ATOM 573 C ILE A 39 -8.237 -2.038 -4.033 1.00 0.00 C ATOM 574 O ILE A 39 -8.374 -1.865 -5.228 1.00 0.00 O ATOM 575 CB ILE A 39 -6.861 -1.192 -2.062 1.00 0.00 C ATOM 576 CG1 ILE A 39 -6.913 -2.157 -0.878 1.00 0.00 C ATOM 577 CG2 ILE A 39 -8.070 -0.255 -1.987 1.00 0.00 C ATOM 578 CD1 ILE A 39 -6.951 -1.365 0.427 1.00 0.00 C ATOM 579 H ILE A 39 -5.796 -0.377 -4.329 1.00 0.00 H ATOM 580 HA ILE A 39 -6.529 -2.999 -3.178 1.00 0.00 H ATOM 581 HB ILE A 39 -5.949 -0.611 -2.008 1.00 0.00 H ATOM 582 HG12 ILE A 39 -7.799 -2.766 -0.951 1.00 0.00 H ATOM 583 HG13 ILE A 39 -6.040 -2.786 -0.885 1.00 0.00 H ATOM 584 HG21 ILE A 39 -8.364 0.037 -2.983 1.00 0.00 H ATOM 585 HG22 ILE A 39 -8.891 -0.768 -1.504 1.00 0.00 H ATOM 586 HG23 ILE A 39 -7.810 0.621 -1.414 1.00 0.00 H ATOM 587 HD11 ILE A 39 -7.246 -0.348 0.223 1.00 0.00 H ATOM 588 HD12 ILE A 39 -7.661 -1.820 1.099 1.00 0.00 H ATOM 589 HD13 ILE A 39 -5.970 -1.372 0.880 1.00 0.00 H ATOM 590 N GLU A 40 -9.258 -2.284 -3.268 1.00 0.00 N ATOM 591 CA GLU A 40 -10.626 -2.357 -3.854 1.00 0.00 C ATOM 592 C GLU A 40 -11.631 -1.715 -2.897 1.00 0.00 C ATOM 593 O GLU A 40 -12.057 -2.321 -1.938 1.00 0.00 O ATOM 594 CB GLU A 40 -10.997 -3.826 -4.077 1.00 0.00 C ATOM 595 CG GLU A 40 -10.565 -4.255 -5.480 1.00 0.00 C ATOM 596 CD GLU A 40 -11.591 -5.233 -6.054 1.00 0.00 C ATOM 597 OE1 GLU A 40 -12.347 -5.791 -5.276 1.00 0.00 O ATOM 598 OE2 GLU A 40 -11.604 -5.407 -7.262 1.00 0.00 O ATOM 599 H GLU A 40 -9.127 -2.430 -2.310 1.00 0.00 H ATOM 600 HA GLU A 40 -10.643 -1.834 -4.798 1.00 0.00 H ATOM 601 HB2 GLU A 40 -10.494 -4.438 -3.343 1.00 0.00 H ATOM 602 HB3 GLU A 40 -12.064 -3.950 -3.975 1.00 0.00 H ATOM 603 HG2 GLU A 40 -10.499 -3.386 -6.118 1.00 0.00 H ATOM 604 HG3 GLU A 40 -9.601 -4.738 -5.428 1.00 0.00 H ATOM 605 N THR A 41 -12.012 -0.492 -3.146 1.00 0.00 N ATOM 606 CA THR A 41 -12.988 0.179 -2.242 1.00 0.00 C ATOM 607 C THR A 41 -14.375 0.179 -2.889 1.00 0.00 C ATOM 608 O THR A 41 -15.081 1.169 -2.871 1.00 0.00 O ATOM 609 CB THR A 41 -12.539 1.620 -1.985 1.00 0.00 C ATOM 610 OG1 THR A 41 -11.181 1.621 -1.566 1.00 0.00 O ATOM 611 CG2 THR A 41 -13.409 2.243 -0.893 1.00 0.00 C ATOM 612 H THR A 41 -11.655 -0.017 -3.926 1.00 0.00 H ATOM 613 HA THR A 41 -13.030 -0.354 -1.305 1.00 0.00 H ATOM 614 HB THR A 41 -12.637 2.197 -2.892 1.00 0.00 H ATOM 615 HG1 THR A 41 -10.697 1.012 -2.129 1.00 0.00 H ATOM 616 HG21 THR A 41 -14.439 1.952 -1.043 1.00 0.00 H ATOM 617 HG22 THR A 41 -13.076 1.898 0.074 1.00 0.00 H ATOM 618 HG23 THR A 41 -13.330 3.319 -0.939 1.00 0.00 H ATOM 619 N ASP A 42 -14.777 -0.929 -3.451 1.00 0.00 N ATOM 620 CA ASP A 42 -16.123 -1.000 -4.087 1.00 0.00 C ATOM 621 C ASP A 42 -16.105 -0.289 -5.444 1.00 0.00 C ATOM 622 O ASP A 42 -16.759 0.718 -5.626 1.00 0.00 O ATOM 623 CB ASP A 42 -17.152 -0.328 -3.176 1.00 0.00 C ATOM 624 CG ASP A 42 -18.551 -0.845 -3.516 1.00 0.00 C ATOM 625 OD1 ASP A 42 -19.099 -0.404 -4.512 1.00 0.00 O ATOM 626 OD2 ASP A 42 -19.051 -1.674 -2.773 1.00 0.00 O ATOM 627 H ASP A 42 -14.195 -1.716 -3.447 1.00 0.00 H ATOM 628 HA ASP A 42 -16.396 -2.035 -4.230 1.00 0.00 H ATOM 629 HB2 ASP A 42 -16.923 -0.555 -2.145 1.00 0.00 H ATOM 630 HB3 ASP A 42 -17.120 0.741 -3.325 1.00 0.00 H ATOM 631 N LYS A 43 -15.361 -0.812 -6.391 1.00 0.00 N ATOM 632 CA LYS A 43 -15.284 -0.198 -7.747 1.00 0.00 C ATOM 633 C LYS A 43 -14.206 0.879 -7.763 1.00 0.00 C ATOM 634 O LYS A 43 -13.640 1.187 -8.794 1.00 0.00 O ATOM 635 CB LYS A 43 -16.629 0.418 -8.109 1.00 0.00 C ATOM 636 CG LYS A 43 -16.714 0.616 -9.623 1.00 0.00 C ATOM 637 CD LYS A 43 -18.181 0.626 -10.056 1.00 0.00 C ATOM 638 CE LYS A 43 -18.458 -0.583 -10.950 1.00 0.00 C ATOM 639 NZ LYS A 43 -19.543 -0.250 -11.915 1.00 0.00 N ATOM 640 H LYS A 43 -14.850 -1.615 -6.208 1.00 0.00 H ATOM 641 HA LYS A 43 -15.036 -0.961 -8.470 1.00 0.00 H ATOM 642 HB2 LYS A 43 -17.420 -0.242 -7.782 1.00 0.00 H ATOM 643 HB3 LYS A 43 -16.726 1.371 -7.614 1.00 0.00 H ATOM 644 HG2 LYS A 43 -16.251 1.556 -9.890 1.00 0.00 H ATOM 645 HG3 LYS A 43 -16.199 -0.192 -10.122 1.00 0.00 H ATOM 646 HD2 LYS A 43 -18.814 0.582 -9.182 1.00 0.00 H ATOM 647 HD3 LYS A 43 -18.387 1.532 -10.606 1.00 0.00 H ATOM 648 HE2 LYS A 43 -17.561 -0.844 -11.491 1.00 0.00 H ATOM 649 HE3 LYS A 43 -18.764 -1.420 -10.338 1.00 0.00 H ATOM 650 HZ1 LYS A 43 -19.610 0.783 -12.017 1.00 0.00 H ATOM 651 HZ2 LYS A 43 -19.329 -0.677 -12.839 1.00 0.00 H ATOM 652 HZ3 LYS A 43 -20.447 -0.624 -11.564 1.00 0.00 H ATOM 653 N VAL A 44 -13.913 1.457 -6.635 1.00 0.00 N ATOM 654 CA VAL A 44 -12.869 2.510 -6.606 1.00 0.00 C ATOM 655 C VAL A 44 -11.572 1.938 -6.033 1.00 0.00 C ATOM 656 O VAL A 44 -11.390 1.861 -4.834 1.00 0.00 O ATOM 657 CB VAL A 44 -13.339 3.687 -5.747 1.00 0.00 C ATOM 658 CG1 VAL A 44 -14.197 4.628 -6.595 1.00 0.00 C ATOM 659 CG2 VAL A 44 -14.166 3.165 -4.570 1.00 0.00 C ATOM 660 H VAL A 44 -14.378 1.199 -5.815 1.00 0.00 H ATOM 661 HA VAL A 44 -12.692 2.849 -7.612 1.00 0.00 H ATOM 662 HB VAL A 44 -12.478 4.225 -5.375 1.00 0.00 H ATOM 663 HG11 VAL A 44 -15.014 4.073 -7.032 1.00 0.00 H ATOM 664 HG12 VAL A 44 -14.590 5.417 -5.972 1.00 0.00 H ATOM 665 HG13 VAL A 44 -13.592 5.057 -7.380 1.00 0.00 H ATOM 666 HG21 VAL A 44 -13.842 2.167 -4.316 1.00 0.00 H ATOM 667 HG22 VAL A 44 -14.030 3.815 -3.718 1.00 0.00 H ATOM 668 HG23 VAL A 44 -15.210 3.146 -4.844 1.00 0.00 H ATOM 669 N VAL A 45 -10.666 1.540 -6.884 1.00 0.00 N ATOM 670 CA VAL A 45 -9.375 0.977 -6.397 1.00 0.00 C ATOM 671 C VAL A 45 -8.362 2.112 -6.233 1.00 0.00 C ATOM 672 O VAL A 45 -7.934 2.717 -7.195 1.00 0.00 O ATOM 673 CB VAL A 45 -8.846 -0.036 -7.414 1.00 0.00 C ATOM 674 CG1 VAL A 45 -7.392 -0.380 -7.084 1.00 0.00 C ATOM 675 CG2 VAL A 45 -9.696 -1.308 -7.358 1.00 0.00 C ATOM 676 H VAL A 45 -10.833 1.616 -7.847 1.00 0.00 H ATOM 677 HA VAL A 45 -9.530 0.489 -5.446 1.00 0.00 H ATOM 678 HB VAL A 45 -8.897 0.390 -8.406 1.00 0.00 H ATOM 679 HG11 VAL A 45 -7.207 -0.195 -6.036 1.00 0.00 H ATOM 680 HG12 VAL A 45 -7.210 -1.423 -7.303 1.00 0.00 H ATOM 681 HG13 VAL A 45 -6.732 0.233 -7.681 1.00 0.00 H ATOM 682 HG21 VAL A 45 -10.411 -1.228 -6.552 1.00 0.00 H ATOM 683 HG22 VAL A 45 -10.221 -1.431 -8.294 1.00 0.00 H ATOM 684 HG23 VAL A 45 -9.056 -2.162 -7.190 1.00 0.00 H ATOM 685 N LEU A 46 -7.976 2.409 -5.022 1.00 0.00 N ATOM 686 CA LEU A 46 -7.001 3.495 -4.799 1.00 0.00 C ATOM 687 C LEU A 46 -5.586 2.966 -5.041 1.00 0.00 C ATOM 688 O LEU A 46 -5.398 1.834 -5.442 1.00 0.00 O ATOM 689 CB LEU A 46 -7.133 3.982 -3.355 1.00 0.00 C ATOM 690 CG LEU A 46 -8.592 4.353 -3.036 1.00 0.00 C ATOM 691 CD1 LEU A 46 -9.282 4.940 -4.272 1.00 0.00 C ATOM 692 CD2 LEU A 46 -9.349 3.105 -2.575 1.00 0.00 C ATOM 693 H LEU A 46 -8.325 1.919 -4.258 1.00 0.00 H ATOM 694 HA LEU A 46 -7.205 4.310 -5.476 1.00 0.00 H ATOM 695 HB2 LEU A 46 -6.806 3.206 -2.682 1.00 0.00 H ATOM 696 HB3 LEU A 46 -6.516 4.842 -3.224 1.00 0.00 H ATOM 697 HG LEU A 46 -8.603 5.086 -2.244 1.00 0.00 H ATOM 698 HD11 LEU A 46 -8.668 5.727 -4.687 1.00 0.00 H ATOM 699 HD12 LEU A 46 -9.419 4.164 -5.010 1.00 0.00 H ATOM 700 HD13 LEU A 46 -10.243 5.344 -3.990 1.00 0.00 H ATOM 701 HD21 LEU A 46 -8.652 2.291 -2.445 1.00 0.00 H ATOM 702 HD22 LEU A 46 -9.843 3.311 -1.637 1.00 0.00 H ATOM 703 HD23 LEU A 46 -10.084 2.836 -3.318 1.00 0.00 H ATOM 704 N GLU A 47 -4.590 3.774 -4.805 1.00 0.00 N ATOM 705 CA GLU A 47 -3.197 3.318 -5.025 1.00 0.00 C ATOM 706 C GLU A 47 -2.372 3.558 -3.761 1.00 0.00 C ATOM 707 O GLU A 47 -2.875 4.029 -2.761 1.00 0.00 O ATOM 708 CB GLU A 47 -2.585 4.095 -6.191 1.00 0.00 C ATOM 709 CG GLU A 47 -3.493 3.974 -7.418 1.00 0.00 C ATOM 710 CD GLU A 47 -2.670 4.198 -8.687 1.00 0.00 C ATOM 711 OE1 GLU A 47 -1.473 4.402 -8.564 1.00 0.00 O ATOM 712 OE2 GLU A 47 -3.250 4.165 -9.759 1.00 0.00 O ATOM 713 H GLU A 47 -4.758 4.677 -4.486 1.00 0.00 H ATOM 714 HA GLU A 47 -3.204 2.271 -5.256 1.00 0.00 H ATOM 715 HB2 GLU A 47 -2.485 5.135 -5.917 1.00 0.00 H ATOM 716 HB3 GLU A 47 -1.612 3.688 -6.424 1.00 0.00 H ATOM 717 HG2 GLU A 47 -3.934 2.988 -7.442 1.00 0.00 H ATOM 718 HG3 GLU A 47 -4.275 4.717 -7.361 1.00 0.00 H ATOM 719 N VAL A 48 -1.106 3.239 -3.796 1.00 0.00 N ATOM 720 CA VAL A 48 -0.255 3.453 -2.593 1.00 0.00 C ATOM 721 C VAL A 48 1.194 3.750 -3.048 1.00 0.00 C ATOM 722 O VAL A 48 2.058 2.900 -3.052 1.00 0.00 O ATOM 723 CB VAL A 48 -0.379 2.213 -1.674 1.00 0.00 C ATOM 724 CG1 VAL A 48 0.862 1.316 -1.720 1.00 0.00 C ATOM 725 CG2 VAL A 48 -0.611 2.678 -0.239 1.00 0.00 C ATOM 726 H VAL A 48 -0.716 2.861 -4.614 1.00 0.00 H ATOM 727 HA VAL A 48 -0.628 4.319 -2.061 1.00 0.00 H ATOM 728 HB VAL A 48 -1.235 1.638 -1.991 1.00 0.00 H ATOM 729 HG11 VAL A 48 1.086 1.062 -2.745 1.00 0.00 H ATOM 730 HG12 VAL A 48 1.703 1.838 -1.288 1.00 0.00 H ATOM 731 HG13 VAL A 48 0.677 0.411 -1.160 1.00 0.00 H ATOM 732 HG21 VAL A 48 -0.312 3.711 -0.145 1.00 0.00 H ATOM 733 HG22 VAL A 48 -1.657 2.580 0.006 1.00 0.00 H ATOM 734 HG23 VAL A 48 -0.026 2.071 0.433 1.00 0.00 H ATOM 735 N PRO A 49 1.397 4.977 -3.456 1.00 0.00 N ATOM 736 CA PRO A 49 2.701 5.450 -3.954 1.00 0.00 C ATOM 737 C PRO A 49 3.646 5.841 -2.810 1.00 0.00 C ATOM 738 O PRO A 49 3.497 6.887 -2.212 1.00 0.00 O ATOM 739 CB PRO A 49 2.335 6.693 -4.770 1.00 0.00 C ATOM 740 CG PRO A 49 0.972 7.190 -4.228 1.00 0.00 C ATOM 741 CD PRO A 49 0.337 6.006 -3.475 1.00 0.00 C ATOM 742 HA PRO A 49 3.157 4.721 -4.594 1.00 0.00 H ATOM 743 HB2 PRO A 49 3.090 7.457 -4.639 1.00 0.00 H ATOM 744 HB3 PRO A 49 2.241 6.438 -5.813 1.00 0.00 H ATOM 745 HG2 PRO A 49 1.123 8.022 -3.555 1.00 0.00 H ATOM 746 HG3 PRO A 49 0.333 7.484 -5.047 1.00 0.00 H ATOM 747 HD2 PRO A 49 0.071 6.300 -2.469 1.00 0.00 H ATOM 748 HD3 PRO A 49 -0.528 5.639 -4.005 1.00 0.00 H ATOM 749 N ALA A 50 4.650 5.044 -2.527 1.00 0.00 N ATOM 750 CA ALA A 50 5.607 5.449 -1.458 1.00 0.00 C ATOM 751 C ALA A 50 6.483 6.539 -2.066 1.00 0.00 C ATOM 752 O ALA A 50 6.113 7.148 -3.050 1.00 0.00 O ATOM 753 CB ALA A 50 6.464 4.256 -0.997 1.00 0.00 C ATOM 754 H ALA A 50 4.796 4.221 -3.040 1.00 0.00 H ATOM 755 HA ALA A 50 5.065 5.858 -0.618 1.00 0.00 H ATOM 756 HB1 ALA A 50 6.068 3.342 -1.415 1.00 0.00 H ATOM 757 HB2 ALA A 50 7.484 4.390 -1.322 1.00 0.00 H ATOM 758 HB3 ALA A 50 6.442 4.191 0.082 1.00 0.00 H ATOM 759 N SER A 51 7.624 6.809 -1.519 1.00 0.00 N ATOM 760 CA SER A 51 8.461 7.881 -2.127 1.00 0.00 C ATOM 761 C SER A 51 9.930 7.471 -2.156 1.00 0.00 C ATOM 762 O SER A 51 10.797 8.283 -2.411 1.00 0.00 O ATOM 763 CB SER A 51 8.301 9.164 -1.320 1.00 0.00 C ATOM 764 OG SER A 51 9.306 9.220 -0.316 1.00 0.00 O ATOM 765 H SER A 51 7.922 6.325 -0.722 1.00 0.00 H ATOM 766 HA SER A 51 8.126 8.058 -3.137 1.00 0.00 H ATOM 767 HB2 SER A 51 8.404 10.012 -1.975 1.00 0.00 H ATOM 768 HB3 SER A 51 7.320 9.178 -0.867 1.00 0.00 H ATOM 769 HG SER A 51 9.066 9.913 0.304 1.00 0.00 H ATOM 770 N ALA A 52 10.219 6.220 -1.915 1.00 0.00 N ATOM 771 CA ALA A 52 11.642 5.767 -1.945 1.00 0.00 C ATOM 772 C ALA A 52 11.790 4.466 -1.164 1.00 0.00 C ATOM 773 O ALA A 52 10.921 4.081 -0.406 1.00 0.00 O ATOM 774 CB ALA A 52 12.540 6.832 -1.314 1.00 0.00 C ATOM 775 H ALA A 52 9.500 5.577 -1.724 1.00 0.00 H ATOM 776 HA ALA A 52 11.945 5.605 -2.967 1.00 0.00 H ATOM 777 HB1 ALA A 52 11.935 7.525 -0.748 1.00 0.00 H ATOM 778 HB2 ALA A 52 13.255 6.359 -0.658 1.00 0.00 H ATOM 779 HB3 ALA A 52 13.065 7.367 -2.092 1.00 0.00 H ATOM 780 N ASP A 53 12.890 3.788 -1.340 1.00 0.00 N ATOM 781 CA ASP A 53 13.105 2.513 -0.606 1.00 0.00 C ATOM 782 C ASP A 53 12.157 1.446 -1.144 1.00 0.00 C ATOM 783 O ASP A 53 12.507 0.678 -2.007 1.00 0.00 O ATOM 784 CB ASP A 53 12.836 2.730 0.882 1.00 0.00 C ATOM 785 CG ASP A 53 14.155 2.641 1.651 1.00 0.00 C ATOM 786 OD1 ASP A 53 14.741 1.571 1.659 1.00 0.00 O ATOM 787 OD2 ASP A 53 14.561 3.645 2.213 1.00 0.00 O ATOM 788 H ASP A 53 13.577 4.121 -1.957 1.00 0.00 H ATOM 789 HA ASP A 53 14.124 2.188 -0.743 1.00 0.00 H ATOM 790 HB2 ASP A 53 12.392 3.705 1.032 1.00 0.00 H ATOM 791 HB3 ASP A 53 12.161 1.968 1.238 1.00 0.00 H ATOM 792 N GLY A 54 10.963 1.377 -0.633 1.00 0.00 N ATOM 793 CA GLY A 54 9.991 0.351 -1.122 1.00 0.00 C ATOM 794 C GLY A 54 10.484 -1.082 -0.850 1.00 0.00 C ATOM 795 O GLY A 54 9.738 -2.025 -1.016 1.00 0.00 O ATOM 796 H GLY A 54 10.698 2.000 0.075 1.00 0.00 H ATOM 797 HA2 GLY A 54 9.048 0.495 -0.617 1.00 0.00 H ATOM 798 HA3 GLY A 54 9.847 0.478 -2.184 1.00 0.00 H ATOM 799 N ILE A 55 11.714 -1.261 -0.432 1.00 0.00 N ATOM 800 CA ILE A 55 12.218 -2.634 -0.149 1.00 0.00 C ATOM 801 C ILE A 55 11.123 -3.407 0.581 1.00 0.00 C ATOM 802 O ILE A 55 10.926 -3.261 1.771 1.00 0.00 O ATOM 803 CB ILE A 55 13.474 -2.524 0.718 1.00 0.00 C ATOM 804 CG1 ILE A 55 14.381 -1.431 0.116 1.00 0.00 C ATOM 805 CG2 ILE A 55 14.187 -3.882 0.776 1.00 0.00 C ATOM 806 CD1 ILE A 55 15.800 -1.946 -0.101 1.00 0.00 C ATOM 807 H ILE A 55 12.301 -0.503 -0.298 1.00 0.00 H ATOM 808 HA ILE A 55 12.457 -3.131 -1.077 1.00 0.00 H ATOM 809 HB ILE A 55 13.197 -2.236 1.715 1.00 0.00 H ATOM 810 HG12 ILE A 55 13.973 -1.114 -0.831 1.00 0.00 H ATOM 811 HG13 ILE A 55 14.409 -0.586 0.789 1.00 0.00 H ATOM 812 HG21 ILE A 55 14.364 -4.239 -0.225 1.00 0.00 H ATOM 813 HG22 ILE A 55 15.131 -3.769 1.290 1.00 0.00 H ATOM 814 HG23 ILE A 55 13.571 -4.589 1.311 1.00 0.00 H ATOM 815 HD11 ILE A 55 15.770 -2.800 -0.761 1.00 0.00 H ATOM 816 HD12 ILE A 55 16.398 -1.166 -0.542 1.00 0.00 H ATOM 817 HD13 ILE A 55 16.222 -2.236 0.849 1.00 0.00 H ATOM 818 N LEU A 56 10.386 -4.208 -0.139 1.00 0.00 N ATOM 819 CA LEU A 56 9.275 -4.969 0.493 1.00 0.00 C ATOM 820 C LEU A 56 9.811 -5.775 1.669 1.00 0.00 C ATOM 821 O LEU A 56 10.374 -6.840 1.506 1.00 0.00 O ATOM 822 CB LEU A 56 8.632 -5.898 -0.540 1.00 0.00 C ATOM 823 CG LEU A 56 7.148 -6.080 -0.209 1.00 0.00 C ATOM 824 CD1 LEU A 56 6.466 -4.713 -0.134 1.00 0.00 C ATOM 825 CD2 LEU A 56 6.477 -6.915 -1.300 1.00 0.00 C ATOM 826 H LEU A 56 10.555 -4.296 -1.100 1.00 0.00 H ATOM 827 HA LEU A 56 8.535 -4.272 0.853 1.00 0.00 H ATOM 828 HB2 LEU A 56 8.729 -5.459 -1.523 1.00 0.00 H ATOM 829 HB3 LEU A 56 9.124 -6.857 -0.523 1.00 0.00 H ATOM 830 HG LEU A 56 7.054 -6.584 0.742 1.00 0.00 H ATOM 831 HD11 LEU A 56 7.177 -3.944 -0.386 1.00 0.00 H ATOM 832 HD12 LEU A 56 5.642 -4.683 -0.831 1.00 0.00 H ATOM 833 HD13 LEU A 56 6.095 -4.549 0.867 1.00 0.00 H ATOM 834 HD21 LEU A 56 7.212 -7.204 -2.036 1.00 0.00 H ATOM 835 HD22 LEU A 56 6.040 -7.799 -0.859 1.00 0.00 H ATOM 836 HD23 LEU A 56 5.703 -6.330 -1.775 1.00 0.00 H ATOM 837 N ASP A 57 9.644 -5.262 2.858 1.00 0.00 N ATOM 838 CA ASP A 57 10.139 -5.977 4.062 1.00 0.00 C ATOM 839 C ASP A 57 8.953 -6.443 4.910 1.00 0.00 C ATOM 840 O ASP A 57 8.952 -7.541 5.430 1.00 0.00 O ATOM 841 CB ASP A 57 11.015 -5.033 4.890 1.00 0.00 C ATOM 842 CG ASP A 57 11.944 -5.853 5.787 1.00 0.00 C ATOM 843 OD1 ASP A 57 11.454 -6.431 6.743 1.00 0.00 O ATOM 844 OD2 ASP A 57 13.130 -5.889 5.502 1.00 0.00 O ATOM 845 H ASP A 57 9.191 -4.398 2.955 1.00 0.00 H ATOM 846 HA ASP A 57 10.721 -6.833 3.758 1.00 0.00 H ATOM 847 HB2 ASP A 57 11.605 -4.417 4.227 1.00 0.00 H ATOM 848 HB3 ASP A 57 10.388 -4.404 5.504 1.00 0.00 H ATOM 849 N ALA A 58 7.941 -5.624 5.067 1.00 0.00 N ATOM 850 CA ALA A 58 6.780 -6.056 5.896 1.00 0.00 C ATOM 851 C ALA A 58 5.465 -5.672 5.214 1.00 0.00 C ATOM 852 O ALA A 58 4.962 -4.581 5.385 1.00 0.00 O ATOM 853 CB ALA A 58 6.858 -5.378 7.265 1.00 0.00 C ATOM 854 H ALA A 58 7.948 -4.732 4.651 1.00 0.00 H ATOM 855 HA ALA A 58 6.815 -7.127 6.027 1.00 0.00 H ATOM 856 HB1 ALA A 58 6.868 -4.305 7.136 1.00 0.00 H ATOM 857 HB2 ALA A 58 5.998 -5.660 7.856 1.00 0.00 H ATOM 858 HB3 ALA A 58 7.759 -5.689 7.770 1.00 0.00 H ATOM 859 N VAL A 59 4.890 -6.566 4.458 1.00 0.00 N ATOM 860 CA VAL A 59 3.594 -6.253 3.791 1.00 0.00 C ATOM 861 C VAL A 59 2.472 -6.931 4.576 1.00 0.00 C ATOM 862 O VAL A 59 2.099 -8.055 4.301 1.00 0.00 O ATOM 863 CB VAL A 59 3.607 -6.775 2.354 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.456 -6.143 1.569 1.00 0.00 C ATOM 865 CG2 VAL A 59 4.932 -6.405 1.690 1.00 0.00 C ATOM 866 H VAL A 59 5.301 -7.449 4.342 1.00 0.00 H ATOM 867 HA VAL A 59 3.438 -5.184 3.789 1.00 0.00 H ATOM 868 HB VAL A 59 3.491 -7.850 2.359 1.00 0.00 H ATOM 869 HG11 VAL A 59 1.991 -5.373 2.169 1.00 0.00 H ATOM 870 HG12 VAL A 59 2.838 -5.706 0.658 1.00 0.00 H ATOM 871 HG13 VAL A 59 1.725 -6.900 1.326 1.00 0.00 H ATOM 872 HG21 VAL A 59 5.404 -5.609 2.248 1.00 0.00 H ATOM 873 HG22 VAL A 59 5.582 -7.268 1.676 1.00 0.00 H ATOM 874 HG23 VAL A 59 4.749 -6.076 0.678 1.00 0.00 H ATOM 875 N LEU A 60 1.944 -6.265 5.567 1.00 0.00 N ATOM 876 CA LEU A 60 0.864 -6.880 6.386 1.00 0.00 C ATOM 877 C LEU A 60 -0.420 -6.999 5.565 1.00 0.00 C ATOM 878 O LEU A 60 -1.403 -7.557 6.013 1.00 0.00 O ATOM 879 CB LEU A 60 0.602 -6.013 7.618 1.00 0.00 C ATOM 880 CG LEU A 60 1.885 -5.895 8.442 1.00 0.00 C ATOM 881 CD1 LEU A 60 1.581 -5.189 9.763 1.00 0.00 C ATOM 882 CD2 LEU A 60 2.436 -7.294 8.726 1.00 0.00 C ATOM 883 H LEU A 60 2.271 -5.368 5.781 1.00 0.00 H ATOM 884 HA LEU A 60 1.177 -7.863 6.700 1.00 0.00 H ATOM 885 HB2 LEU A 60 0.283 -5.029 7.304 1.00 0.00 H ATOM 886 HB3 LEU A 60 -0.170 -6.466 8.221 1.00 0.00 H ATOM 887 HG LEU A 60 2.616 -5.323 7.888 1.00 0.00 H ATOM 888 HD11 LEU A 60 0.594 -4.752 9.719 1.00 0.00 H ATOM 889 HD12 LEU A 60 1.622 -5.904 10.571 1.00 0.00 H ATOM 890 HD13 LEU A 60 2.311 -4.412 9.933 1.00 0.00 H ATOM 891 HD21 LEU A 60 1.631 -8.013 8.691 1.00 0.00 H ATOM 892 HD22 LEU A 60 3.177 -7.548 7.981 1.00 0.00 H ATOM 893 HD23 LEU A 60 2.891 -7.310 9.705 1.00 0.00 H ATOM 894 N GLU A 61 -0.424 -6.490 4.367 1.00 0.00 N ATOM 895 CA GLU A 61 -1.646 -6.587 3.526 1.00 0.00 C ATOM 896 C GLU A 61 -1.269 -7.190 2.177 1.00 0.00 C ATOM 897 O GLU A 61 -1.591 -6.662 1.131 1.00 0.00 O ATOM 898 CB GLU A 61 -2.244 -5.195 3.327 1.00 0.00 C ATOM 899 CG GLU A 61 -2.743 -4.667 4.673 1.00 0.00 C ATOM 900 CD GLU A 61 -4.133 -4.053 4.498 1.00 0.00 C ATOM 901 OE1 GLU A 61 -4.204 -2.880 4.169 1.00 0.00 O ATOM 902 OE2 GLU A 61 -5.103 -4.766 4.696 1.00 0.00 O ATOM 903 H GLU A 61 0.377 -6.050 4.017 1.00 0.00 H ATOM 904 HA GLU A 61 -2.367 -7.224 4.016 1.00 0.00 H ATOM 905 HB2 GLU A 61 -1.487 -4.531 2.934 1.00 0.00 H ATOM 906 HB3 GLU A 61 -3.070 -5.252 2.635 1.00 0.00 H ATOM 907 HG2 GLU A 61 -2.793 -5.482 5.380 1.00 0.00 H ATOM 908 HG3 GLU A 61 -2.061 -3.915 5.038 1.00 0.00 H ATOM 909 N ASP A 62 -0.580 -8.295 2.199 1.00 0.00 N ATOM 910 CA ASP A 62 -0.162 -8.947 0.943 1.00 0.00 C ATOM 911 C ASP A 62 -1.369 -9.178 0.032 1.00 0.00 C ATOM 912 O ASP A 62 -2.209 -10.016 0.295 1.00 0.00 O ATOM 913 CB ASP A 62 0.488 -10.278 1.288 1.00 0.00 C ATOM 914 CG ASP A 62 1.992 -10.083 1.479 1.00 0.00 C ATOM 915 OD1 ASP A 62 2.579 -9.350 0.699 1.00 0.00 O ATOM 916 OD2 ASP A 62 2.534 -10.668 2.402 1.00 0.00 O ATOM 917 H ASP A 62 -0.329 -8.699 3.052 1.00 0.00 H ATOM 918 HA ASP A 62 0.557 -8.321 0.436 1.00 0.00 H ATOM 919 HB2 ASP A 62 0.056 -10.661 2.200 1.00 0.00 H ATOM 920 HB3 ASP A 62 0.314 -10.970 0.494 1.00 0.00 H ATOM 921 N GLU A 63 -1.426 -8.430 -1.041 1.00 0.00 N ATOM 922 CA GLU A 63 -2.531 -8.533 -2.054 1.00 0.00 C ATOM 923 C GLU A 63 -3.673 -9.443 -1.592 1.00 0.00 C ATOM 924 O GLU A 63 -3.537 -10.650 -1.543 1.00 0.00 O ATOM 925 CB GLU A 63 -1.956 -9.096 -3.355 1.00 0.00 C ATOM 926 CG GLU A 63 -0.515 -8.615 -3.531 1.00 0.00 C ATOM 927 CD GLU A 63 0.446 -9.673 -2.990 1.00 0.00 C ATOM 928 OE1 GLU A 63 -0.030 -10.675 -2.482 1.00 0.00 O ATOM 929 OE2 GLU A 63 1.644 -9.464 -3.092 1.00 0.00 O ATOM 930 H GLU A 63 -0.710 -7.780 -1.193 1.00 0.00 H ATOM 931 HA GLU A 63 -2.922 -7.547 -2.246 1.00 0.00 H ATOM 932 HB2 GLU A 63 -1.974 -10.176 -3.317 1.00 0.00 H ATOM 933 HB3 GLU A 63 -2.553 -8.756 -4.188 1.00 0.00 H ATOM 934 HG2 GLU A 63 -0.317 -8.448 -4.579 1.00 0.00 H ATOM 935 HG3 GLU A 63 -0.375 -7.693 -2.990 1.00 0.00 H ATOM 936 N GLY A 64 -4.806 -8.877 -1.278 1.00 0.00 N ATOM 937 CA GLY A 64 -5.963 -9.709 -0.850 1.00 0.00 C ATOM 938 C GLY A 64 -6.332 -9.375 0.594 1.00 0.00 C ATOM 939 O GLY A 64 -7.489 -9.381 0.964 1.00 0.00 O ATOM 940 H GLY A 64 -4.902 -7.907 -1.337 1.00 0.00 H ATOM 941 HA2 GLY A 64 -6.807 -9.501 -1.495 1.00 0.00 H ATOM 942 HA3 GLY A 64 -5.703 -10.751 -0.924 1.00 0.00 H ATOM 943 N THR A 65 -5.362 -9.082 1.415 1.00 0.00 N ATOM 944 CA THR A 65 -5.671 -8.747 2.833 1.00 0.00 C ATOM 945 C THR A 65 -6.856 -7.778 2.874 1.00 0.00 C ATOM 946 O THR A 65 -7.020 -6.950 2.000 1.00 0.00 O ATOM 947 CB THR A 65 -4.453 -8.089 3.480 1.00 0.00 C ATOM 948 OG1 THR A 65 -3.374 -9.013 3.502 1.00 0.00 O ATOM 949 CG2 THR A 65 -4.796 -7.667 4.909 1.00 0.00 C ATOM 950 H THR A 65 -4.432 -9.080 1.098 1.00 0.00 H ATOM 951 HA THR A 65 -5.923 -9.649 3.370 1.00 0.00 H ATOM 952 HB THR A 65 -4.169 -7.218 2.911 1.00 0.00 H ATOM 953 HG1 THR A 65 -3.016 -9.074 2.615 1.00 0.00 H ATOM 954 HG21 THR A 65 -5.151 -8.524 5.461 1.00 0.00 H ATOM 955 HG22 THR A 65 -3.915 -7.269 5.389 1.00 0.00 H ATOM 956 HG23 THR A 65 -5.566 -6.909 4.885 1.00 0.00 H ATOM 957 N THR A 66 -7.684 -7.877 3.876 1.00 0.00 N ATOM 958 CA THR A 66 -8.856 -6.961 3.961 1.00 0.00 C ATOM 959 C THR A 66 -8.422 -5.625 4.545 1.00 0.00 C ATOM 960 O THR A 66 -7.750 -5.554 5.554 1.00 0.00 O ATOM 961 CB THR A 66 -9.940 -7.584 4.844 1.00 0.00 C ATOM 962 OG1 THR A 66 -9.609 -8.941 5.109 1.00 0.00 O ATOM 963 CG2 THR A 66 -11.289 -7.516 4.126 1.00 0.00 C ATOM 964 H THR A 66 -7.539 -8.553 4.570 1.00 0.00 H ATOM 965 HA THR A 66 -9.250 -6.788 2.971 1.00 0.00 H ATOM 966 HB THR A 66 -10.004 -7.041 5.774 1.00 0.00 H ATOM 967 HG1 THR A 66 -9.863 -9.463 4.343 1.00 0.00 H ATOM 968 HG21 THR A 66 -11.160 -7.796 3.090 1.00 0.00 H ATOM 969 HG22 THR A 66 -11.983 -8.194 4.599 1.00 0.00 H ATOM 970 HG23 THR A 66 -11.675 -6.508 4.182 1.00 0.00 H ATOM 971 N VAL A 67 -8.802 -4.565 3.898 1.00 0.00 N ATOM 972 CA VAL A 67 -8.421 -3.215 4.378 1.00 0.00 C ATOM 973 C VAL A 67 -9.511 -2.223 3.958 1.00 0.00 C ATOM 974 O VAL A 67 -10.402 -2.548 3.202 1.00 0.00 O ATOM 975 CB VAL A 67 -7.049 -2.838 3.778 1.00 0.00 C ATOM 976 CG1 VAL A 67 -6.769 -3.678 2.528 1.00 0.00 C ATOM 977 CG2 VAL A 67 -7.009 -1.360 3.395 1.00 0.00 C ATOM 978 H VAL A 67 -9.337 -4.658 3.083 1.00 0.00 H ATOM 979 HA VAL A 67 -8.348 -3.225 5.454 1.00 0.00 H ATOM 980 HB VAL A 67 -6.283 -3.032 4.514 1.00 0.00 H ATOM 981 HG11 VAL A 67 -7.577 -3.555 1.823 1.00 0.00 H ATOM 982 HG12 VAL A 67 -5.844 -3.351 2.076 1.00 0.00 H ATOM 983 HG13 VAL A 67 -6.687 -4.719 2.805 1.00 0.00 H ATOM 984 HG21 VAL A 67 -7.869 -1.123 2.788 1.00 0.00 H ATOM 985 HG22 VAL A 67 -7.020 -0.759 4.288 1.00 0.00 H ATOM 986 HG23 VAL A 67 -6.109 -1.163 2.835 1.00 0.00 H ATOM 987 N THR A 68 -9.441 -1.016 4.439 1.00 0.00 N ATOM 988 CA THR A 68 -10.469 -0.006 4.065 1.00 0.00 C ATOM 989 C THR A 68 -9.789 1.347 3.837 1.00 0.00 C ATOM 990 O THR A 68 -8.647 1.416 3.427 1.00 0.00 O ATOM 991 CB THR A 68 -11.504 0.108 5.191 1.00 0.00 C ATOM 992 OG1 THR A 68 -12.681 0.729 4.692 1.00 0.00 O ATOM 993 CG2 THR A 68 -10.934 0.940 6.344 1.00 0.00 C ATOM 994 H THR A 68 -8.710 -0.773 5.045 1.00 0.00 H ATOM 995 HA THR A 68 -10.961 -0.316 3.156 1.00 0.00 H ATOM 996 HB THR A 68 -11.747 -0.879 5.554 1.00 0.00 H ATOM 997 HG1 THR A 68 -13.272 0.039 4.383 1.00 0.00 H ATOM 998 HG21 THR A 68 -9.870 1.064 6.207 1.00 0.00 H ATOM 999 HG22 THR A 68 -11.410 1.908 6.360 1.00 0.00 H ATOM 1000 HG23 THR A 68 -11.119 0.432 7.279 1.00 0.00 H ATOM 1001 N SER A 69 -10.477 2.423 4.101 1.00 0.00 N ATOM 1002 CA SER A 69 -9.862 3.764 3.901 1.00 0.00 C ATOM 1003 C SER A 69 -9.362 4.291 5.246 1.00 0.00 C ATOM 1004 O SER A 69 -9.960 5.166 5.840 1.00 0.00 O ATOM 1005 CB SER A 69 -10.903 4.724 3.332 1.00 0.00 C ATOM 1006 OG SER A 69 -12.026 4.771 4.202 1.00 0.00 O ATOM 1007 H SER A 69 -11.394 2.349 4.434 1.00 0.00 H ATOM 1008 HA SER A 69 -9.033 3.681 3.215 1.00 0.00 H ATOM 1009 HB2 SER A 69 -10.476 5.707 3.251 1.00 0.00 H ATOM 1010 HB3 SER A 69 -11.207 4.384 2.351 1.00 0.00 H ATOM 1011 HG SER A 69 -12.699 4.183 3.849 1.00 0.00 H ATOM 1012 N ARG A 70 -8.271 3.759 5.723 1.00 0.00 N ATOM 1013 CA ARG A 70 -7.716 4.212 7.032 1.00 0.00 C ATOM 1014 C ARG A 70 -6.790 3.130 7.586 1.00 0.00 C ATOM 1015 O ARG A 70 -5.928 3.389 8.403 1.00 0.00 O ATOM 1016 CB ARG A 70 -8.854 4.461 8.025 1.00 0.00 C ATOM 1017 CG ARG A 70 -9.002 5.965 8.268 1.00 0.00 C ATOM 1018 CD ARG A 70 -9.589 6.201 9.661 1.00 0.00 C ATOM 1019 NE ARG A 70 -8.779 7.229 10.373 1.00 0.00 N ATOM 1020 CZ ARG A 70 -7.528 6.992 10.657 1.00 0.00 C ATOM 1021 NH1 ARG A 70 -7.074 5.768 10.637 1.00 0.00 N ATOM 1022 NH2 ARG A 70 -6.730 7.978 10.961 1.00 0.00 N ATOM 1023 H ARG A 70 -7.811 3.061 5.215 1.00 0.00 H ATOM 1024 HA ARG A 70 -7.156 5.117 6.887 1.00 0.00 H ATOM 1025 HB2 ARG A 70 -9.776 4.068 7.621 1.00 0.00 H ATOM 1026 HB3 ARG A 70 -8.631 3.968 8.959 1.00 0.00 H ATOM 1027 HG2 ARG A 70 -8.032 6.436 8.200 1.00 0.00 H ATOM 1028 HG3 ARG A 70 -9.662 6.386 7.525 1.00 0.00 H ATOM 1029 HD2 ARG A 70 -10.608 6.546 9.568 1.00 0.00 H ATOM 1030 HD3 ARG A 70 -9.572 5.278 10.221 1.00 0.00 H ATOM 1031 HE ARG A 70 -9.186 8.084 10.629 1.00 0.00 H ATOM 1032 HH11 ARG A 70 -7.686 5.012 10.404 1.00 0.00 H ATOM 1033 HH12 ARG A 70 -6.116 5.587 10.854 1.00 0.00 H ATOM 1034 HH21 ARG A 70 -7.076 8.916 10.977 1.00 0.00 H ATOM 1035 HH22 ARG A 70 -5.770 7.797 11.179 1.00 0.00 H ATOM 1036 N GLN A 71 -6.965 1.921 7.142 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.103 0.810 7.633 1.00 0.00 C ATOM 1038 C GLN A 71 -4.696 0.976 7.057 1.00 0.00 C ATOM 1039 O GLN A 71 -4.383 1.982 6.456 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.690 -0.530 7.185 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.121 -0.659 7.707 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.317 -2.044 8.327 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -7.391 -2.827 8.397 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.493 -2.382 8.782 1.00 0.00 N ATOM 1045 H GLN A 71 -7.665 1.744 6.483 1.00 0.00 H ATOM 1046 HA GLN A 71 -6.055 0.841 8.712 1.00 0.00 H ATOM 1047 HB2 GLN A 71 -6.693 -0.577 6.107 1.00 0.00 H ATOM 1048 HB3 GLN A 71 -6.091 -1.336 7.580 1.00 0.00 H ATOM 1049 HG2 GLN A 71 -8.300 0.100 8.456 1.00 0.00 H ATOM 1050 HG3 GLN A 71 -8.817 -0.530 6.892 1.00 0.00 H ATOM 1051 HE21 GLN A 71 -10.240 -1.751 8.725 1.00 0.00 H ATOM 1052 HE22 GLN A 71 -9.628 -3.267 9.180 1.00 0.00 H ATOM 1053 N ILE A 72 -3.843 0.005 7.242 1.00 0.00 N ATOM 1054 CA ILE A 72 -2.457 0.128 6.708 1.00 0.00 C ATOM 1055 C ILE A 72 -2.114 -1.087 5.839 1.00 0.00 C ATOM 1056 O ILE A 72 -2.261 -2.218 6.258 1.00 0.00 O ATOM 1057 CB ILE A 72 -1.474 0.207 7.877 1.00 0.00 C ATOM 1058 CG1 ILE A 72 -0.044 0.071 7.352 1.00 0.00 C ATOM 1059 CG2 ILE A 72 -1.763 -0.927 8.863 1.00 0.00 C ATOM 1060 CD1 ILE A 72 0.945 0.327 8.492 1.00 0.00 C ATOM 1061 H ILE A 72 -4.111 -0.799 7.735 1.00 0.00 H ATOM 1062 HA ILE A 72 -2.380 1.026 6.119 1.00 0.00 H ATOM 1063 HB ILE A 72 -1.588 1.157 8.380 1.00 0.00 H ATOM 1064 HG12 ILE A 72 0.104 -0.925 6.963 1.00 0.00 H ATOM 1065 HG13 ILE A 72 0.122 0.793 6.566 1.00 0.00 H ATOM 1066 HG21 ILE A 72 -2.114 -1.793 8.323 1.00 0.00 H ATOM 1067 HG22 ILE A 72 -0.858 -1.178 9.397 1.00 0.00 H ATOM 1068 HG23 ILE A 72 -2.519 -0.609 9.566 1.00 0.00 H ATOM 1069 HD11 ILE A 72 0.474 0.939 9.246 1.00 0.00 H ATOM 1070 HD12 ILE A 72 1.244 -0.615 8.927 1.00 0.00 H ATOM 1071 HD13 ILE A 72 1.815 0.837 8.106 1.00 0.00 H ATOM 1072 N LEU A 73 -1.644 -0.863 4.638 1.00 0.00 N ATOM 1073 CA LEU A 73 -1.280 -2.013 3.759 1.00 0.00 C ATOM 1074 C LEU A 73 -0.119 -2.764 4.399 1.00 0.00 C ATOM 1075 O LEU A 73 -0.064 -3.978 4.396 1.00 0.00 O ATOM 1076 CB LEU A 73 -0.839 -1.507 2.384 1.00 0.00 C ATOM 1077 CG LEU A 73 -1.765 -0.384 1.927 1.00 0.00 C ATOM 1078 CD1 LEU A 73 -1.513 -0.093 0.449 1.00 0.00 C ATOM 1079 CD2 LEU A 73 -3.219 -0.818 2.122 1.00 0.00 C ATOM 1080 H LEU A 73 -1.522 0.055 4.321 1.00 0.00 H ATOM 1081 HA LEU A 73 -2.128 -2.669 3.647 1.00 0.00 H ATOM 1082 HB2 LEU A 73 0.174 -1.137 2.443 1.00 0.00 H ATOM 1083 HB3 LEU A 73 -0.884 -2.319 1.671 1.00 0.00 H ATOM 1084 HG LEU A 73 -1.568 0.504 2.508 1.00 0.00 H ATOM 1085 HD11 LEU A 73 -0.466 0.125 0.300 1.00 0.00 H ATOM 1086 HD12 LEU A 73 -1.790 -0.955 -0.139 1.00 0.00 H ATOM 1087 HD13 LEU A 73 -2.105 0.757 0.143 1.00 0.00 H ATOM 1088 HD21 LEU A 73 -3.268 -1.896 2.177 1.00 0.00 H ATOM 1089 HD22 LEU A 73 -3.601 -0.395 3.039 1.00 0.00 H ATOM 1090 HD23 LEU A 73 -3.813 -0.473 1.290 1.00 0.00 H ATOM 1091 N GLY A 74 0.816 -2.038 4.947 1.00 0.00 N ATOM 1092 CA GLY A 74 1.988 -2.689 5.590 1.00 0.00 C ATOM 1093 C GLY A 74 3.195 -1.760 5.474 1.00 0.00 C ATOM 1094 O GLY A 74 3.123 -0.709 4.868 1.00 0.00 O ATOM 1095 H GLY A 74 0.747 -1.059 4.930 1.00 0.00 H ATOM 1096 HA2 GLY A 74 1.771 -2.877 6.632 1.00 0.00 H ATOM 1097 HA3 GLY A 74 2.206 -3.621 5.091 1.00 0.00 H ATOM 1098 N ARG A 75 4.301 -2.132 6.050 1.00 0.00 N ATOM 1099 CA ARG A 75 5.502 -1.261 5.965 1.00 0.00 C ATOM 1100 C ARG A 75 6.616 -1.977 5.226 1.00 0.00 C ATOM 1101 O ARG A 75 6.808 -3.167 5.359 1.00 0.00 O ATOM 1102 CB ARG A 75 5.979 -0.884 7.365 1.00 0.00 C ATOM 1103 CG ARG A 75 6.305 -2.151 8.159 1.00 0.00 C ATOM 1104 CD ARG A 75 6.056 -1.899 9.648 1.00 0.00 C ATOM 1105 NE ARG A 75 7.097 -0.971 10.174 1.00 0.00 N ATOM 1106 CZ ARG A 75 7.697 -1.237 11.302 1.00 0.00 C ATOM 1107 NH1 ARG A 75 8.247 -2.405 11.489 1.00 0.00 N ATOM 1108 NH2 ARG A 75 7.748 -0.333 12.243 1.00 0.00 N ATOM 1109 H ARG A 75 4.341 -2.978 6.532 1.00 0.00 H ATOM 1110 HA ARG A 75 5.253 -0.370 5.422 1.00 0.00 H ATOM 1111 HB2 ARG A 75 6.867 -0.273 7.282 1.00 0.00 H ATOM 1112 HB3 ARG A 75 5.205 -0.331 7.869 1.00 0.00 H ATOM 1113 HG2 ARG A 75 5.675 -2.961 7.821 1.00 0.00 H ATOM 1114 HG3 ARG A 75 7.341 -2.415 8.010 1.00 0.00 H ATOM 1115 HD2 ARG A 75 5.080 -1.456 9.780 1.00 0.00 H ATOM 1116 HD3 ARG A 75 6.104 -2.835 10.185 1.00 0.00 H ATOM 1117 HE ARG A 75 7.331 -0.162 9.673 1.00 0.00 H ATOM 1118 HH11 ARG A 75 8.209 -3.097 10.769 1.00 0.00 H ATOM 1119 HH12 ARG A 75 8.707 -2.609 12.353 1.00 0.00 H ATOM 1120 HH21 ARG A 75 7.326 0.561 12.099 1.00 0.00 H ATOM 1121 HH22 ARG A 75 8.208 -0.537 13.107 1.00 0.00 H ATOM 1122 N LEU A 76 7.350 -1.247 4.444 1.00 0.00 N ATOM 1123 CA LEU A 76 8.464 -1.863 3.675 1.00 0.00 C ATOM 1124 C LEU A 76 9.794 -1.330 4.217 1.00 0.00 C ATOM 1125 O LEU A 76 10.267 -1.755 5.253 1.00 0.00 O ATOM 1126 CB LEU A 76 8.326 -1.518 2.184 1.00 0.00 C ATOM 1127 CG LEU A 76 7.069 -2.176 1.588 1.00 0.00 C ATOM 1128 CD1 LEU A 76 5.820 -1.788 2.385 1.00 0.00 C ATOM 1129 CD2 LEU A 76 6.897 -1.707 0.142 1.00 0.00 C ATOM 1130 H LEU A 76 7.162 -0.284 4.362 1.00 0.00 H ATOM 1131 HA LEU A 76 8.437 -2.930 3.799 1.00 0.00 H ATOM 1132 HB2 LEU A 76 8.264 -0.450 2.068 1.00 0.00 H ATOM 1133 HB3 LEU A 76 9.196 -1.880 1.658 1.00 0.00 H ATOM 1134 HG LEU A 76 7.186 -3.247 1.606 1.00 0.00 H ATOM 1135 HD11 LEU A 76 5.956 -0.810 2.818 1.00 0.00 H ATOM 1136 HD12 LEU A 76 4.965 -1.774 1.726 1.00 0.00 H ATOM 1137 HD13 LEU A 76 5.655 -2.511 3.169 1.00 0.00 H ATOM 1138 HD21 LEU A 76 6.954 -0.630 0.103 1.00 0.00 H ATOM 1139 HD22 LEU A 76 7.678 -2.132 -0.471 1.00 0.00 H ATOM 1140 HD23 LEU A 76 5.934 -2.030 -0.228 1.00 0.00 H ATOM 1141 N ARG A 77 10.393 -0.398 3.535 1.00 0.00 N ATOM 1142 CA ARG A 77 11.683 0.170 4.018 1.00 0.00 C ATOM 1143 C ARG A 77 11.722 1.666 3.697 1.00 0.00 C ATOM 1144 O ARG A 77 10.940 2.161 2.912 1.00 0.00 O ATOM 1145 CB ARG A 77 12.849 -0.539 3.330 1.00 0.00 C ATOM 1146 CG ARG A 77 14.156 -0.173 4.037 1.00 0.00 C ATOM 1147 CD ARG A 77 15.121 -1.357 3.978 1.00 0.00 C ATOM 1148 NE ARG A 77 15.773 -1.533 5.307 1.00 0.00 N ATOM 1149 CZ ARG A 77 17.036 -1.855 5.378 1.00 0.00 C ATOM 1150 NH1 ARG A 77 17.891 -1.332 4.542 1.00 0.00 N ATOM 1151 NH2 ARG A 77 17.444 -2.700 6.284 1.00 0.00 N ATOM 1152 H ARG A 77 9.992 -0.064 2.710 1.00 0.00 H ATOM 1153 HA ARG A 77 11.758 0.028 5.086 1.00 0.00 H ATOM 1154 HB2 ARG A 77 12.699 -1.609 3.382 1.00 0.00 H ATOM 1155 HB3 ARG A 77 12.902 -0.232 2.296 1.00 0.00 H ATOM 1156 HG2 ARG A 77 14.602 0.681 3.549 1.00 0.00 H ATOM 1157 HG3 ARG A 77 13.950 0.070 5.069 1.00 0.00 H ATOM 1158 HD2 ARG A 77 14.576 -2.254 3.723 1.00 0.00 H ATOM 1159 HD3 ARG A 77 15.876 -1.170 3.229 1.00 0.00 H ATOM 1160 HE ARG A 77 15.253 -1.406 6.128 1.00 0.00 H ATOM 1161 HH11 ARG A 77 17.579 -0.684 3.846 1.00 0.00 H ATOM 1162 HH12 ARG A 77 18.858 -1.579 4.596 1.00 0.00 H ATOM 1163 HH21 ARG A 77 16.789 -3.101 6.925 1.00 0.00 H ATOM 1164 HH22 ARG A 77 18.411 -2.947 6.338 1.00 0.00 H ATOM 1165 N GLU A 78 12.618 2.393 4.308 1.00 0.00 N ATOM 1166 CA GLU A 78 12.691 3.857 4.041 1.00 0.00 C ATOM 1167 C GLU A 78 14.000 4.417 4.603 1.00 0.00 C ATOM 1168 O GLU A 78 14.875 3.681 5.016 1.00 0.00 O ATOM 1169 CB GLU A 78 11.507 4.556 4.711 1.00 0.00 C ATOM 1170 CG GLU A 78 10.747 5.384 3.673 1.00 0.00 C ATOM 1171 CD GLU A 78 10.182 6.641 4.335 1.00 0.00 C ATOM 1172 OE1 GLU A 78 10.118 6.668 5.554 1.00 0.00 O ATOM 1173 OE2 GLU A 78 9.822 7.556 3.614 1.00 0.00 O ATOM 1174 H GLU A 78 13.235 1.979 4.946 1.00 0.00 H ATOM 1175 HA GLU A 78 12.653 4.031 2.975 1.00 0.00 H ATOM 1176 HB2 GLU A 78 10.846 3.816 5.138 1.00 0.00 H ATOM 1177 HB3 GLU A 78 11.869 5.208 5.493 1.00 0.00 H ATOM 1178 HG2 GLU A 78 11.420 5.667 2.877 1.00 0.00 H ATOM 1179 HG3 GLU A 78 9.937 4.798 3.268 1.00 0.00 H ATOM 1180 N GLY A 79 14.139 5.713 4.624 1.00 0.00 N ATOM 1181 CA GLY A 79 15.390 6.321 5.160 1.00 0.00 C ATOM 1182 C GLY A 79 15.069 7.675 5.792 1.00 0.00 C ATOM 1183 O GLY A 79 14.017 7.868 6.370 1.00 0.00 O ATOM 1184 H GLY A 79 13.422 6.289 4.286 1.00 0.00 H ATOM 1185 HA2 GLY A 79 15.817 5.665 5.907 1.00 0.00 H ATOM 1186 HA3 GLY A 79 16.097 6.461 4.356 1.00 0.00 H ATOM 1187 N ASN A 80 15.965 8.618 5.686 1.00 0.00 N ATOM 1188 CA ASN A 80 15.710 9.960 6.281 1.00 0.00 C ATOM 1189 C ASN A 80 15.830 9.876 7.804 1.00 0.00 C ATOM 1190 O ASN A 80 15.303 10.751 8.470 1.00 0.00 O ATOM 1191 CB ASN A 80 14.300 10.423 5.906 1.00 0.00 C ATOM 1192 CG ASN A 80 14.208 11.944 6.042 1.00 0.00 C ATOM 1193 OD1 ASN A 80 15.204 12.608 6.251 1.00 0.00 O ATOM 1194 ND2 ASN A 80 13.046 12.528 5.931 1.00 0.00 N ATOM 1195 OXT ASN A 80 16.447 8.935 8.278 1.00 0.00 O ATOM 1196 H ASN A 80 16.807 8.443 5.215 1.00 0.00 H ATOM 1197 HA ASN A 80 16.433 10.666 5.901 1.00 0.00 H ATOM 1198 HB2 ASN A 80 14.087 10.138 4.885 1.00 0.00 H ATOM 1199 HB3 ASN A 80 13.582 9.961 6.566 1.00 0.00 H ATOM 1200 HD21 ASN A 80 12.243 11.992 5.763 1.00 0.00 H ATOM 1201 HD22 ASN A 80 12.977 13.502 6.016 1.00 0.00 H TER 1202 ASN A 80