load pdb inline exit HEADER ACYLTRANSFERASE 16-JAN-96 1GHK TITLE SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE TITLE 2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM AZOTOBACTER TITLE 3 VINELAND II, NMR, 25 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: E2, THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE COMPND 3 COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX; COMPND 4 CHAIN: NULL; COMPND 5 FRAGMENT: LIPOYL DOMAIN, RESIDUES 1-79; COMPND 6 SYNONYM: E2; COMPND 7 EC: 2.3.1.61; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI KEYWDS GLYCOLYSIS, TRANSFERASE, ACYLTRANSFERASE, LIPOYL EXPDTA NMR, 25 STRUCTURES AUTHOR A.BERG,J.VERVOORT,A.DE KOK REVDAT 1 11-JAN-97 1GHK 0 JRNL AUTH A.BERG,J.VERVOORT,A.DE KOK JRNL TITL SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE JRNL TITL 2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM JRNL TITL 3 AZOTOBACTER VINELANDII JRNL REF J.MOL.BIOL. V. 261 432 1996 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.BERG,O.SMITS,A.DE KOK,J.VERVOORT REMARK 1 TITL SEQUENTIAL 1H AND 15N NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE LIPOYL REMARK 1 TITL 3 DOMAIN OF THE 2-OXOGLUTARATE DEHYDROGENASE COMPLEX REMARK 1 TITL 4 FROM AZOTOBACTER VINELANDII. EVIDENCE FOR HIGH REMARK 1 TITL 5 STRUCTURAL SIMILARITY WITH THE LIPOYL DOMAIN OF THE REMARK 1 TITL 6 PYRUVATE DEHYDROGENASE COMPLEX REMARK 1 REF EUR.J.BIOCHEM. V. 234 148 1995 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 0262 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: REMARK 3 RMSD BOND DISTANCES 0.0019(0.0001) ANGSTROMS REMARK 3 RMSD BOND ANGLES 0.479(0.001) ANGSTROMS REMARK 3 REMARK 3 NUMBER OF PROTEIN ATOMS 1181 REMARK 3 REMARK: THE PARALLHDG.PRO AND TOPALLHDG.PRO FORCE FIELD REMARK 3 FOR NMR STRUCTURE DETERMINATION IN X-PLOR VERSION 3.1 REMARK 3 REMARK 3 THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE LIPOYL REMARK 3 DOMAIN (RESIDUES 1-79) OF THE 2-OXOGLUTARATE DEHYDROGENASE REMARK 3 COMPLEX FROM AZOTOBACTER VINELANDII IS BASED ON 645 REMARK 3 EXPERIMENTAL CONSTRAINTS COMPRISING: REMARK 3 550 NOE DISTANCE CONSTRAINTS REMARK 3 30 CONSTRAINTS FOR 15 BACKBONE-BACKBONE HYDROGEN BONDS REMARK 3 47 PHI AND 18 CHI1 DIHEDRAL ANGLE CONSTRAINTS REMARK 3 REMARK 3 A COMPLETE LIST OF EXPERIMENTAL CONSTRAINTS HAS BEEN REMARK 3 DEPOSITED WITH THE BROOKHAVEN DATA BANK. REMARK 3 REMARK 3 THE STRUCTURES WERE CALCULATED WITH THE PROGRAM X-PLOR 3.1 REMARK 3 USING A PROTOCOL BASED ON THE HYBRID DISTANCE REMARK 3 GEOMETRY-DYNAMICAL SIMULATED ANNEALING CALCULATION REMARK 3 STRATEGY DEVELOPED BY: NILGES, M., CLORE, G.M. & REMARK 3 GRONENBORN, A.M. (1988) FEBS LETT. 229, 317-324. REMARK 4 REMARK 4 1GHK COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 A TOTAL OF 25 STRUCTURES WAS SELECTED, BASED ON INPUT REMARK 6 CONSTRAINT SATISFACTION ONLY, TO REPRESENT THE SOLUTION REMARK 6 STRUCTURE OF THE LIPOYL DOMAIN. THIS ENTRY CONTAINS THE REMARK 6 COORDINATES OF THE 25 INDIVIDUAL DG-SA STRUCTURES. REMARK 7 REMARK 7 LYS 42 IS THE LIPOYLATION SITE WHERE LIPOIC ACID REMARK 7 (6,8 THIOCTIC ACID) IS COVALENTLY ATTACHED VIA AN AMIDE REMARK 7 LINKAGE TO THE LYSINE SIDE CHAIN. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS. REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 999 REMARK 999 SEQUENCE REMARK 999 1GHK SWS P20708 80 - 398 NOT IN ATOMS LIST REMARK 999 REMARK 999 PRO 28 IN THE ORIGINAL SEQUENCE DATABASE MUST BE ALA 28. DBREF 1GHK 1 79 SWS P20708 ODO2_AZOVI 1 79 SEQADV 1GHK ALA 28 SWS P20708 PRO 28 CONFLICT SEQRES 1 79 ALA ILE ASP ILE LYS ALA PRO THR PHE PRO GLU SER ILE SEQRES 2 79 ALA ASP GLY THR VAL ALA THR TRP HIS LYS LYS PRO GLY SEQRES 3 79 GLU ALA VAL LYS ARG ASP GLU LEU ILE VAL ASP ILE GLU SEQRES 4 79 THR ASP LYS VAL VAL MET GLU VAL LEU ALA GLU ALA ASP SEQRES 5 79 GLY VAL ILE ALA GLU ILE VAL LYS ASN GLU GLY ASP THR SEQRES 6 79 VAL LEU SER GLY GLU LEU LEU GLY LYS LEU THR GLU GLY SEQRES 7 79 GLY SHEET 1 A 4 ILE 2 LYS 5 0 SHEET 2 A 4 LEU 71 THR 76 -1 N LEU 75 O ILE 2 SHEET 3 A 4 GLY 53 ILE 58 -1 O VAL 54 N THR 76 SHEET 4 A 4 GLU 27 VAL 29 -1 N VAL 29 O GLY 53 SHEET 1 B 4 VAL 44 LEU 48 0 SHEET 2 B 4 LEU 34 GLU 39 -1 N ILE 38 O MET 45 SHEET 3 B 4 GLY 16 TRP 21 -1 O THR 17 N GLU 39 SHEET 4 B 4 ASP 64 VAL 66 -1 N VAL 66 O GLY 16 TURN 1 A THR 40 VAL 43 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 ALA 1 -10.265 11.291 0.890 1.00 0.00 N ATOM 2 CA ALA 1 -10.025 9.893 0.434 1.00 0.00 C ATOM 3 C ALA 1 -8.657 9.422 0.930 1.00 0.00 C ATOM 4 O ALA 1 -8.139 9.915 1.913 1.00 0.00 O ATOM 5 CB ALA 1 -10.058 9.842 -1.095 1.00 0.00 C ATOM 6 1H ALA 1 -10.144 11.346 1.921 1.00 0.00 H ATOM 7 2H ALA 1 -9.584 11.928 0.427 1.00 0.00 H ATOM 8 3H ALA 1 -11.232 11.577 0.641 1.00 0.00 H ATOM 9 HA ALA 1 -10.794 9.248 0.832 1.00 0.00 H ATOM 10 1HB ALA 1 -10.802 10.533 -1.462 1.00 0.00 H ATOM 11 2HB ALA 1 -9.089 10.116 -1.485 1.00 0.00 H ATOM 12 3HB ALA 1 -10.306 8.842 -1.417 1.00 0.00 H ATOM 13 N ILE 2 -8.067 8.471 0.259 1.00 0.00 N ATOM 14 CA ILE 2 -6.733 7.969 0.694 1.00 0.00 C ATOM 15 C ILE 2 -5.811 7.854 -0.521 1.00 0.00 C ATOM 16 O ILE 2 -6.050 7.074 -1.422 1.00 0.00 O ATOM 17 CB ILE 2 -6.892 6.595 1.345 1.00 0.00 C ATOM 18 CG1 ILE 2 -7.864 6.699 2.523 1.00 0.00 C ATOM 19 CG2 ILE 2 -5.533 6.107 1.849 1.00 0.00 C ATOM 20 CD1 ILE 2 -9.291 6.453 2.032 1.00 0.00 C ATOM 21 H ILE 2 -8.502 8.086 -0.530 1.00 0.00 H ATOM 22 HA ILE 2 -6.304 8.658 1.407 1.00 0.00 H ATOM 23 HB ILE 2 -7.278 5.895 0.618 1.00 0.00 H ATOM 24 1HG1 ILE 2 -7.606 5.961 3.269 1.00 0.00 H ATOM 25 2HG1 ILE 2 -7.800 7.686 2.957 1.00 0.00 H ATOM 26 1HG2 ILE 2 -4.747 6.579 1.278 1.00 0.00 H ATOM 27 2HG2 ILE 2 -5.423 6.363 2.893 1.00 0.00 H ATOM 28 3HG2 ILE 2 -5.469 5.035 1.733 1.00 0.00 H ATOM 29 1HD1 ILE 2 -9.344 6.642 0.970 1.00 0.00 H ATOM 30 2HD1 ILE 2 -9.568 5.428 2.229 1.00 0.00 H ATOM 31 3HD1 ILE 2 -9.969 7.116 2.549 1.00 0.00 H ATOM 32 N ASP 3 -4.758 8.624 -0.554 1.00 0.00 N ATOM 33 CA ASP 3 -3.822 8.557 -1.712 1.00 0.00 C ATOM 34 C ASP 3 -2.751 7.498 -1.441 1.00 0.00 C ATOM 35 O ASP 3 -2.164 7.452 -0.378 1.00 0.00 O ATOM 36 CB ASP 3 -3.154 9.920 -1.907 1.00 0.00 C ATOM 37 CG ASP 3 -2.071 9.808 -2.981 1.00 0.00 C ATOM 38 OD1 ASP 3 -1.948 8.742 -3.562 1.00 0.00 O ATOM 39 OD2 ASP 3 -1.383 10.790 -3.206 1.00 0.00 O ATOM 40 H ASP 3 -4.582 9.246 0.183 1.00 0.00 H ATOM 41 HA ASP 3 -4.370 8.294 -2.604 1.00 0.00 H ATOM 42 1HB ASP 3 -3.896 10.643 -2.216 1.00 0.00 H ATOM 43 2HB ASP 3 -2.704 10.237 -0.976 1.00 0.00 H ATOM 44 N ILE 4 -2.491 6.646 -2.395 1.00 0.00 N ATOM 45 CA ILE 4 -1.459 5.591 -2.191 1.00 0.00 C ATOM 46 C ILE 4 -0.153 6.020 -2.863 1.00 0.00 C ATOM 47 O ILE 4 -0.116 6.309 -4.043 1.00 0.00 O ATOM 48 CB ILE 4 -1.942 4.278 -2.808 1.00 0.00 C ATOM 49 CG1 ILE 4 -3.250 3.851 -2.136 1.00 0.00 C ATOM 50 CG2 ILE 4 -0.885 3.193 -2.595 1.00 0.00 C ATOM 51 CD1 ILE 4 -3.896 2.725 -2.945 1.00 0.00 C ATOM 52 H ILE 4 -2.976 6.699 -3.245 1.00 0.00 H ATOM 53 HA ILE 4 -1.290 5.452 -1.133 1.00 0.00 H ATOM 54 HB ILE 4 -2.107 4.417 -3.866 1.00 0.00 H ATOM 55 1HG1 ILE 4 -3.043 3.503 -1.134 1.00 0.00 H ATOM 56 2HG1 ILE 4 -3.924 4.694 -2.093 1.00 0.00 H ATOM 57 1HG2 ILE 4 0.089 3.652 -2.508 1.00 0.00 H ATOM 58 2HG2 ILE 4 -1.107 2.646 -1.691 1.00 0.00 H ATOM 59 3HG2 ILE 4 -0.890 2.516 -3.436 1.00 0.00 H ATOM 60 1HD1 ILE 4 -3.274 2.490 -3.796 1.00 0.00 H ATOM 61 2HD1 ILE 4 -4.002 1.849 -2.323 1.00 0.00 H ATOM 62 3HD1 ILE 4 -4.870 3.042 -3.289 1.00 0.00 H ATOM 63 N LYS 5 0.921 6.063 -2.122 1.00 0.00 N ATOM 64 CA LYS 5 2.222 6.473 -2.720 1.00 0.00 C ATOM 65 C LYS 5 3.253 5.361 -2.509 1.00 0.00 C ATOM 66 O LYS 5 2.986 4.369 -1.861 1.00 0.00 O ATOM 67 CB LYS 5 2.712 7.756 -2.046 1.00 0.00 C ATOM 68 CG LYS 5 1.529 8.702 -1.827 1.00 0.00 C ATOM 69 CD LYS 5 2.035 10.143 -1.748 1.00 0.00 C ATOM 70 CE LYS 5 1.245 11.017 -2.725 1.00 0.00 C ATOM 71 NZ LYS 5 2.171 11.969 -3.400 1.00 0.00 N ATOM 72 H LYS 5 0.870 5.826 -1.172 1.00 0.00 H ATOM 73 HA LYS 5 2.094 6.648 -3.777 1.00 0.00 H ATOM 74 1HB LYS 5 3.161 7.514 -1.093 1.00 0.00 H ATOM 75 2HB LYS 5 3.443 8.238 -2.677 1.00 0.00 H ATOM 76 1HG LYS 5 0.836 8.607 -2.651 1.00 0.00 H ATOM 77 2HG LYS 5 1.029 8.447 -0.905 1.00 0.00 H ATOM 78 1HD LYS 5 1.903 10.516 -0.742 1.00 0.00 H ATOM 79 2HD LYS 5 3.082 10.172 -2.009 1.00 0.00 H ATOM 80 1HE LYS 5 0.770 10.390 -3.465 1.00 0.00 H ATOM 81 2HE LYS 5 0.491 11.569 -2.184 1.00 0.00 H ATOM 82 1HZ LYS 5 3.004 11.453 -3.750 1.00 0.00 H ATOM 83 2HZ LYS 5 1.682 12.422 -4.198 1.00 0.00 H ATOM 84 3HZ LYS 5 2.473 12.698 -2.723 1.00 0.00 H ATOM 85 N ALA 6 4.429 5.520 -3.051 1.00 0.00 N ATOM 86 CA ALA 6 5.475 4.472 -2.880 1.00 0.00 C ATOM 87 C ALA 6 6.125 4.619 -1.501 1.00 0.00 C ATOM 88 O ALA 6 6.027 5.658 -0.879 1.00 0.00 O ATOM 89 CB ALA 6 6.541 4.635 -3.966 1.00 0.00 C ATOM 90 H ALA 6 4.625 6.328 -3.569 1.00 0.00 H ATOM 91 HA ALA 6 5.023 3.495 -2.963 1.00 0.00 H ATOM 92 1HB ALA 6 6.768 5.683 -4.094 1.00 0.00 H ATOM 93 2HB ALA 6 7.436 4.105 -3.674 1.00 0.00 H ATOM 94 3HB ALA 6 6.171 4.230 -4.897 1.00 0.00 H ATOM 95 N PRO 7 6.772 3.568 -1.066 1.00 0.00 N ATOM 96 CA PRO 7 7.454 3.539 0.239 1.00 0.00 C ATOM 97 C PRO 7 8.791 4.282 0.159 1.00 0.00 C ATOM 98 O PRO 7 9.218 4.700 -0.899 1.00 0.00 O ATOM 99 CB PRO 7 7.673 2.045 0.496 1.00 0.00 C ATOM 100 CG PRO 7 7.630 1.353 -0.888 1.00 0.00 C ATOM 101 CD PRO 7 6.882 2.311 -1.835 1.00 0.00 C ATOM 102 HA PRO 7 6.828 3.958 1.008 1.00 0.00 H ATOM 103 1HB PRO 7 8.636 1.888 0.964 1.00 0.00 H ATOM 104 2HB PRO 7 6.886 1.656 1.122 1.00 0.00 H ATOM 105 1HG PRO 7 8.635 1.182 -1.247 1.00 0.00 H ATOM 106 2HG PRO 7 7.095 0.419 -0.819 1.00 0.00 H ATOM 107 1HD PRO 7 7.453 2.467 -2.741 1.00 0.00 H ATOM 108 2HD PRO 7 5.899 1.927 -2.064 1.00 0.00 H ATOM 109 N THR 8 9.455 4.449 1.270 1.00 0.00 N ATOM 110 CA THR 8 10.762 5.164 1.256 1.00 0.00 C ATOM 111 C THR 8 11.896 4.151 1.083 1.00 0.00 C ATOM 112 O THR 8 11.922 3.119 1.724 1.00 0.00 O ATOM 113 CB THR 8 10.947 5.915 2.577 1.00 0.00 C ATOM 114 OG1 THR 8 9.737 6.580 2.914 1.00 0.00 O ATOM 115 CG2 THR 8 12.071 6.941 2.430 1.00 0.00 C ATOM 116 H THR 8 9.094 4.104 2.113 1.00 0.00 H ATOM 117 HA THR 8 10.780 5.867 0.437 1.00 0.00 H ATOM 118 HB THR 8 11.203 5.216 3.357 1.00 0.00 H ATOM 119 HG1 THR 8 9.349 6.126 3.666 1.00 0.00 H ATOM 120 1HG2 THR 8 12.961 6.451 2.063 1.00 0.00 H ATOM 121 2HG2 THR 8 11.770 7.709 1.733 1.00 0.00 H ATOM 122 3HG2 THR 8 12.278 7.389 3.391 1.00 0.00 H ATOM 123 N PHE 9 12.834 4.437 0.222 1.00 0.00 N ATOM 124 CA PHE 9 13.964 3.490 0.009 1.00 0.00 C ATOM 125 C PHE 9 15.191 3.977 0.787 1.00 0.00 C ATOM 126 O PHE 9 15.314 5.150 1.076 1.00 0.00 O ATOM 127 CB PHE 9 14.300 3.424 -1.482 1.00 0.00 C ATOM 128 CG PHE 9 13.026 3.273 -2.279 1.00 0.00 C ATOM 129 CD1 PHE 9 12.286 2.086 -2.200 1.00 0.00 C ATOM 130 CD2 PHE 9 12.583 4.322 -3.096 1.00 0.00 C ATOM 131 CE1 PHE 9 11.104 1.946 -2.940 1.00 0.00 C ATOM 132 CE2 PHE 9 11.400 4.183 -3.835 1.00 0.00 C ATOM 133 CZ PHE 9 10.661 2.995 -3.757 1.00 0.00 C ATOM 134 H PHE 9 12.794 5.275 -0.285 1.00 0.00 H ATOM 135 HA PHE 9 13.682 2.508 0.359 1.00 0.00 H ATOM 136 1HB PHE 9 14.805 4.333 -1.779 1.00 0.00 H ATOM 137 2HB PHE 9 14.942 2.574 -1.669 1.00 0.00 H ATOM 138 HD1 PHE 9 12.628 1.278 -1.570 1.00 0.00 H ATOM 139 HD2 PHE 9 13.153 5.237 -3.157 1.00 0.00 H ATOM 140 HE1 PHE 9 10.534 1.031 -2.879 1.00 0.00 H ATOM 141 HE2 PHE 9 11.059 4.991 -4.465 1.00 0.00 H ATOM 142 HZ PHE 9 9.750 2.888 -4.327 1.00 0.00 H ATOM 143 N PRO 10 16.063 3.053 1.102 1.00 0.00 N ATOM 144 CA PRO 10 17.298 3.349 1.848 1.00 0.00 C ATOM 145 C PRO 10 18.347 3.971 0.922 1.00 0.00 C ATOM 146 O PRO 10 18.030 4.490 -0.130 1.00 0.00 O ATOM 147 CB PRO 10 17.754 1.974 2.345 1.00 0.00 C ATOM 148 CG PRO 10 17.101 0.932 1.406 1.00 0.00 C ATOM 149 CD PRO 10 15.899 1.629 0.742 1.00 0.00 C ATOM 150 HA PRO 10 17.094 3.996 2.686 1.00 0.00 H ATOM 151 1HB PRO 10 18.832 1.902 2.295 1.00 0.00 H ATOM 152 2HB PRO 10 17.416 1.814 3.357 1.00 0.00 H ATOM 153 1HG PRO 10 17.812 0.617 0.654 1.00 0.00 H ATOM 154 2HG PRO 10 16.760 0.081 1.975 1.00 0.00 H ATOM 155 1HD PRO 10 15.934 1.501 -0.332 1.00 0.00 H ATOM 156 2HD PRO 10 14.971 1.249 1.142 1.00 0.00 H ATOM 157 N GLU 11 19.594 3.922 1.305 1.00 0.00 N ATOM 158 CA GLU 11 20.660 4.510 0.446 1.00 0.00 C ATOM 159 C GLU 11 20.983 3.547 -0.698 1.00 0.00 C ATOM 160 O GLU 11 20.867 3.887 -1.859 1.00 0.00 O ATOM 161 CB GLU 11 21.918 4.745 1.285 1.00 0.00 C ATOM 162 CG GLU 11 21.841 6.121 1.948 1.00 0.00 C ATOM 163 CD GLU 11 22.506 6.064 3.324 1.00 0.00 C ATOM 164 OE1 GLU 11 22.127 5.209 4.108 1.00 0.00 O ATOM 165 OE2 GLU 11 23.383 6.875 3.571 1.00 0.00 O ATOM 166 H GLU 11 19.829 3.499 2.157 1.00 0.00 H ATOM 167 HA GLU 11 20.318 5.450 0.040 1.00 0.00 H ATOM 168 1HB GLU 11 21.991 3.981 2.045 1.00 0.00 H ATOM 169 2HB GLU 11 22.789 4.703 0.648 1.00 0.00 H ATOM 170 1HG GLU 11 22.351 6.847 1.331 1.00 0.00 H ATOM 171 2HG GLU 11 20.806 6.408 2.062 1.00 0.00 H ATOM 172 N SER 12 21.389 2.348 -0.380 1.00 0.00 N ATOM 173 CA SER 12 21.722 1.363 -1.445 1.00 0.00 C ATOM 174 C SER 12 20.666 1.425 -2.551 1.00 0.00 C ATOM 175 O SER 12 20.983 1.436 -3.724 1.00 0.00 O ATOM 176 CB SER 12 21.750 -0.044 -0.846 1.00 0.00 C ATOM 177 OG SER 12 21.915 -0.995 -1.890 1.00 0.00 O ATOM 178 H SER 12 21.478 2.096 0.561 1.00 0.00 H ATOM 179 HA SER 12 22.691 1.596 -1.857 1.00 0.00 H ATOM 180 1HB SER 12 22.574 -0.128 -0.156 1.00 0.00 H ATOM 181 2HB SER 12 20.820 -0.229 -0.321 1.00 0.00 H ATOM 182 HG SER 12 21.077 -1.445 -2.016 1.00 0.00 H ATOM 183 N ILE 13 19.414 1.465 -2.187 1.00 0.00 N ATOM 184 CA ILE 13 18.340 1.527 -3.219 1.00 0.00 C ATOM 185 C ILE 13 17.777 2.947 -3.284 1.00 0.00 C ATOM 186 O ILE 13 17.543 3.580 -2.274 1.00 0.00 O ATOM 187 CB ILE 13 17.221 0.551 -2.849 1.00 0.00 C ATOM 188 CG1 ILE 13 17.780 -0.874 -2.813 1.00 0.00 C ATOM 189 CG2 ILE 13 16.106 0.634 -3.892 1.00 0.00 C ATOM 190 CD1 ILE 13 18.173 -1.304 -4.228 1.00 0.00 C ATOM 191 H ILE 13 19.179 1.455 -1.236 1.00 0.00 H ATOM 192 HA ILE 13 18.750 1.257 -4.181 1.00 0.00 H ATOM 193 HB ILE 13 16.826 0.809 -1.877 1.00 0.00 H ATOM 194 1HG1 ILE 13 18.648 -0.904 -2.172 1.00 0.00 H ATOM 195 2HG1 ILE 13 17.026 -1.546 -2.432 1.00 0.00 H ATOM 196 1HG2 ILE 13 16.496 1.061 -4.804 1.00 0.00 H ATOM 197 2HG2 ILE 13 15.726 -0.357 -4.092 1.00 0.00 H ATOM 198 3HG2 ILE 13 15.307 1.257 -3.516 1.00 0.00 H ATOM 199 1HD1 ILE 13 17.333 -1.166 -4.893 1.00 0.00 H ATOM 200 2HD1 ILE 13 19.004 -0.703 -4.568 1.00 0.00 H ATOM 201 3HD1 ILE 13 18.460 -2.345 -4.221 1.00 0.00 H ATOM 202 N ALA 14 17.557 3.454 -4.467 1.00 0.00 N ATOM 203 CA ALA 14 17.009 4.834 -4.595 1.00 0.00 C ATOM 204 C ALA 14 15.661 4.782 -5.317 1.00 0.00 C ATOM 205 O ALA 14 15.167 5.780 -5.803 1.00 0.00 O ATOM 206 CB ALA 14 17.984 5.698 -5.398 1.00 0.00 C ATOM 207 H ALA 14 17.752 2.928 -5.270 1.00 0.00 H ATOM 208 HA ALA 14 16.874 5.261 -3.612 1.00 0.00 H ATOM 209 1HB ALA 14 18.707 5.063 -5.889 1.00 0.00 H ATOM 210 2HB ALA 14 17.438 6.262 -6.139 1.00 0.00 H ATOM 211 3HB ALA 14 18.495 6.377 -4.732 1.00 0.00 H ATOM 212 N ASP 15 15.061 3.625 -5.391 1.00 0.00 N ATOM 213 CA ASP 15 13.746 3.511 -6.082 1.00 0.00 C ATOM 214 C ASP 15 13.139 2.135 -5.798 1.00 0.00 C ATOM 215 O ASP 15 13.628 1.389 -4.974 1.00 0.00 O ATOM 216 CB ASP 15 13.945 3.678 -7.590 1.00 0.00 C ATOM 217 CG ASP 15 15.293 3.080 -7.997 1.00 0.00 C ATOM 218 OD1 ASP 15 16.304 3.567 -7.516 1.00 0.00 O ATOM 219 OD2 ASP 15 15.292 2.147 -8.782 1.00 0.00 O ATOM 220 H ASP 15 15.476 2.832 -4.993 1.00 0.00 H ATOM 221 HA ASP 15 13.081 4.280 -5.719 1.00 0.00 H ATOM 222 1HB ASP 15 13.151 3.169 -8.116 1.00 0.00 H ATOM 223 2HB ASP 15 13.929 4.728 -7.841 1.00 0.00 H ATOM 224 N GLY 16 12.076 1.795 -6.474 1.00 0.00 N ATOM 225 CA GLY 16 11.438 0.468 -6.242 1.00 0.00 C ATOM 226 C GLY 16 10.799 -0.027 -7.540 1.00 0.00 C ATOM 227 O GLY 16 11.002 0.537 -8.597 1.00 0.00 O ATOM 228 H GLY 16 11.697 2.412 -7.134 1.00 0.00 H ATOM 229 1HA GLY 16 12.188 -0.239 -5.915 1.00 0.00 H ATOM 230 2HA GLY 16 10.676 0.562 -5.483 1.00 0.00 H ATOM 231 N THR 17 10.028 -1.077 -7.471 1.00 0.00 N ATOM 232 CA THR 17 9.377 -1.606 -8.702 1.00 0.00 C ATOM 233 C THR 17 8.047 -2.266 -8.333 1.00 0.00 C ATOM 234 O THR 17 7.981 -3.103 -7.455 1.00 0.00 O ATOM 235 CB THR 17 10.294 -2.640 -9.360 1.00 0.00 C ATOM 236 OG1 THR 17 11.648 -2.253 -9.176 1.00 0.00 O ATOM 237 CG2 THR 17 9.983 -2.722 -10.856 1.00 0.00 C ATOM 238 H THR 17 9.876 -1.518 -6.609 1.00 0.00 H ATOM 239 HA THR 17 9.197 -0.794 -9.391 1.00 0.00 H ATOM 240 HB THR 17 10.130 -3.606 -8.909 1.00 0.00 H ATOM 241 HG1 THR 17 11.903 -1.702 -9.920 1.00 0.00 H ATOM 242 1HG2 THR 17 8.916 -2.814 -10.997 1.00 0.00 H ATOM 243 2HG2 THR 17 10.336 -1.827 -11.346 1.00 0.00 H ATOM 244 3HG2 THR 17 10.478 -3.584 -11.279 1.00 0.00 H ATOM 245 N VAL 18 6.986 -1.897 -8.997 1.00 0.00 N ATOM 246 CA VAL 18 5.662 -2.505 -8.683 1.00 0.00 C ATOM 247 C VAL 18 5.756 -4.026 -8.819 1.00 0.00 C ATOM 248 O VAL 18 6.573 -4.544 -9.554 1.00 0.00 O ATOM 249 CB VAL 18 4.611 -1.969 -9.657 1.00 0.00 C ATOM 250 CG1 VAL 18 3.243 -2.558 -9.307 1.00 0.00 C ATOM 251 CG2 VAL 18 4.550 -0.444 -9.551 1.00 0.00 C ATOM 252 H VAL 18 7.059 -1.221 -9.703 1.00 0.00 H ATOM 253 HA VAL 18 5.380 -2.250 -7.672 1.00 0.00 H ATOM 254 HB VAL 18 4.877 -2.252 -10.665 1.00 0.00 H ATOM 255 1HG1 VAL 18 3.245 -2.885 -8.278 1.00 0.00 H ATOM 256 2HG1 VAL 18 2.481 -1.805 -9.444 1.00 0.00 H ATOM 257 3HG1 VAL 18 3.038 -3.400 -9.952 1.00 0.00 H ATOM 258 1HG2 VAL 18 5.537 -0.033 -9.705 1.00 0.00 H ATOM 259 2HG2 VAL 18 3.878 -0.058 -10.303 1.00 0.00 H ATOM 260 3HG2 VAL 18 4.192 -0.165 -8.571 1.00 0.00 H ATOM 261 N ALA 19 4.925 -4.746 -8.116 1.00 0.00 N ATOM 262 CA ALA 19 4.969 -6.233 -8.206 1.00 0.00 C ATOM 263 C ALA 19 3.912 -6.717 -9.200 1.00 0.00 C ATOM 264 O ALA 19 4.224 -7.140 -10.295 1.00 0.00 O ATOM 265 CB ALA 19 4.687 -6.835 -6.828 1.00 0.00 C ATOM 266 H ALA 19 4.273 -4.310 -7.529 1.00 0.00 H ATOM 267 HA ALA 19 5.947 -6.544 -8.541 1.00 0.00 H ATOM 268 1HB ALA 19 4.721 -6.056 -6.081 1.00 0.00 H ATOM 269 2HB ALA 19 3.708 -7.292 -6.828 1.00 0.00 H ATOM 270 3HB ALA 19 5.433 -7.583 -6.602 1.00 0.00 H ATOM 271 N THR 20 2.662 -6.659 -8.828 1.00 0.00 N ATOM 272 CA THR 20 1.588 -7.117 -9.753 1.00 0.00 C ATOM 273 C THR 20 0.250 -6.510 -9.325 1.00 0.00 C ATOM 274 O THR 20 -0.112 -6.536 -8.166 1.00 0.00 O ATOM 275 CB THR 20 1.493 -8.644 -9.705 1.00 0.00 C ATOM 276 OG1 THR 20 2.637 -9.208 -10.331 1.00 0.00 O ATOM 277 CG2 THR 20 0.231 -9.103 -10.437 1.00 0.00 C ATOM 278 H THR 20 2.430 -6.315 -7.940 1.00 0.00 H ATOM 279 HA THR 20 1.821 -6.803 -10.759 1.00 0.00 H ATOM 280 HB THR 20 1.446 -8.971 -8.678 1.00 0.00 H ATOM 281 HG1 THR 20 3.293 -9.378 -9.651 1.00 0.00 H ATOM 282 1HG2 THR 20 -0.196 -8.269 -10.975 1.00 0.00 H ATOM 283 2HG2 THR 20 0.484 -9.889 -11.133 1.00 0.00 H ATOM 284 3HG2 THR 20 -0.487 -9.473 -9.720 1.00 0.00 H ATOM 285 N TRP 21 -0.488 -5.964 -10.253 1.00 0.00 N ATOM 286 CA TRP 21 -1.796 -5.358 -9.908 1.00 0.00 C ATOM 287 C TRP 21 -2.895 -6.417 -10.017 1.00 0.00 C ATOM 288 O TRP 21 -3.574 -6.518 -11.020 1.00 0.00 O ATOM 289 CB TRP 21 -2.079 -4.222 -10.887 1.00 0.00 C ATOM 290 CG TRP 21 -1.544 -2.941 -10.335 1.00 0.00 C ATOM 291 CD1 TRP 21 -0.362 -2.376 -10.679 1.00 0.00 C ATOM 292 CD2 TRP 21 -2.148 -2.055 -9.350 1.00 0.00 C ATOM 293 NE1 TRP 21 -0.206 -1.201 -9.965 1.00 0.00 N ATOM 294 CE2 TRP 21 -1.277 -0.962 -9.136 1.00 0.00 C ATOM 295 CE3 TRP 21 -3.355 -2.093 -8.628 1.00 0.00 C ATOM 296 CZ2 TRP 21 -1.586 0.055 -8.242 1.00 0.00 C ATOM 297 CZ3 TRP 21 -3.674 -1.066 -7.721 1.00 0.00 C ATOM 298 CH2 TRP 21 -2.789 0.007 -7.529 1.00 0.00 C ATOM 299 H TRP 21 -0.183 -5.950 -11.181 1.00 0.00 H ATOM 300 HA TRP 21 -1.763 -4.969 -8.901 1.00 0.00 H ATOM 301 1HB TRP 21 -1.598 -4.435 -11.832 1.00 0.00 H ATOM 302 2HB TRP 21 -3.140 -4.138 -11.034 1.00 0.00 H ATOM 303 HD1 TRP 21 0.343 -2.776 -11.393 1.00 0.00 H ATOM 304 HE1 TRP 21 0.561 -0.596 -10.023 1.00 0.00 H ATOM 305 HE3 TRP 21 -4.040 -2.915 -8.772 1.00 0.00 H ATOM 306 HZ2 TRP 21 -0.897 0.875 -8.103 1.00 0.00 H ATOM 307 HZ3 TRP 21 -4.602 -1.102 -7.171 1.00 0.00 H ATOM 308 HH2 TRP 21 -3.036 0.795 -6.833 1.00 0.00 H ATOM 309 N HIS 22 -3.070 -7.210 -8.995 1.00 0.00 N ATOM 310 CA HIS 22 -4.129 -8.271 -9.046 1.00 0.00 C ATOM 311 C HIS 22 -5.404 -7.689 -9.661 1.00 0.00 C ATOM 312 O HIS 22 -5.835 -8.095 -10.722 1.00 0.00 O ATOM 313 CB HIS 22 -4.446 -8.788 -7.635 1.00 0.00 C ATOM 314 CG HIS 22 -3.209 -8.729 -6.790 1.00 0.00 C ATOM 315 ND1 HIS 22 -2.811 -7.562 -6.164 1.00 0.00 N ATOM 316 CD2 HIS 22 -2.244 -9.660 -6.500 1.00 0.00 C ATOM 317 CE1 HIS 22 -1.650 -7.811 -5.545 1.00 0.00 C ATOM 318 NE2 HIS 22 -1.257 -9.077 -5.712 1.00 0.00 N ATOM 319 H HIS 22 -2.501 -7.109 -8.200 1.00 0.00 H ATOM 320 HA HIS 22 -3.782 -9.091 -9.658 1.00 0.00 H ATOM 321 1HB HIS 22 -5.215 -8.173 -7.190 1.00 0.00 H ATOM 322 2HB HIS 22 -4.791 -9.811 -7.696 1.00 0.00 H ATOM 323 HD1 HIS 22 -3.292 -6.708 -6.172 1.00 0.00 H ATOM 324 HD2 HIS 22 -2.250 -10.688 -6.833 1.00 0.00 H ATOM 325 HE1 HIS 22 -1.088 -7.068 -5.011 1.00 0.00 H ATOM 326 N LYS 23 -6.012 -6.741 -9.002 1.00 0.00 N ATOM 327 CA LYS 23 -7.259 -6.136 -9.548 1.00 0.00 C ATOM 328 C LYS 23 -6.916 -4.852 -10.306 1.00 0.00 C ATOM 329 O LYS 23 -5.768 -4.468 -10.410 1.00 0.00 O ATOM 330 CB LYS 23 -8.214 -5.809 -8.397 1.00 0.00 C ATOM 331 CG LYS 23 -9.427 -6.739 -8.459 1.00 0.00 C ATOM 332 CD LYS 23 -8.992 -8.168 -8.129 1.00 0.00 C ATOM 333 CE LYS 23 -9.138 -9.047 -9.372 1.00 0.00 C ATOM 334 NZ LYS 23 -7.947 -9.935 -9.496 1.00 0.00 N ATOM 335 H LYS 23 -5.649 -6.428 -8.147 1.00 0.00 H ATOM 336 HA LYS 23 -7.734 -6.835 -10.221 1.00 0.00 H ATOM 337 1HB LYS 23 -7.702 -5.945 -7.456 1.00 0.00 H ATOM 338 2HB LYS 23 -8.543 -4.784 -8.483 1.00 0.00 H ATOM 339 1HG LYS 23 -10.167 -6.412 -7.744 1.00 0.00 H ATOM 340 2HG LYS 23 -9.849 -6.714 -9.452 1.00 0.00 H ATOM 341 1HD LYS 23 -7.960 -8.165 -7.808 1.00 0.00 H ATOM 342 2HD LYS 23 -9.614 -8.560 -7.338 1.00 0.00 H ATOM 343 1HE LYS 23 -10.029 -9.651 -9.284 1.00 0.00 H ATOM 344 2HE LYS 23 -9.213 -8.421 -10.249 1.00 0.00 H ATOM 345 1HZ LYS 23 -7.383 -9.881 -8.623 1.00 0.00 H ATOM 346 2HZ LYS 23 -8.259 -10.915 -9.648 1.00 0.00 H ATOM 347 3HZ LYS 23 -7.369 -9.628 -10.303 1.00 0.00 H ATOM 348 N LYS 24 -7.904 -4.185 -10.838 1.00 0.00 N ATOM 349 CA LYS 24 -7.638 -2.927 -11.590 1.00 0.00 C ATOM 350 C LYS 24 -8.491 -1.795 -11.010 1.00 0.00 C ATOM 351 O LYS 24 -9.387 -2.036 -10.225 1.00 0.00 O ATOM 352 CB LYS 24 -7.994 -3.130 -13.064 1.00 0.00 C ATOM 353 CG LYS 24 -6.711 -3.207 -13.894 1.00 0.00 C ATOM 354 CD LYS 24 -6.840 -4.323 -14.932 1.00 0.00 C ATOM 355 CE LYS 24 -5.900 -5.473 -14.567 1.00 0.00 C ATOM 356 NZ LYS 24 -5.901 -6.483 -15.662 1.00 0.00 N ATOM 357 H LYS 24 -8.823 -4.513 -10.742 1.00 0.00 H ATOM 358 HA LYS 24 -6.593 -2.669 -11.505 1.00 0.00 H ATOM 359 1HB LYS 24 -8.552 -4.048 -13.176 1.00 0.00 H ATOM 360 2HB LYS 24 -8.593 -2.300 -13.407 1.00 0.00 H ATOM 361 1HG LYS 24 -6.550 -2.264 -14.396 1.00 0.00 H ATOM 362 2HG LYS 24 -5.874 -3.418 -13.245 1.00 0.00 H ATOM 363 1HD LYS 24 -7.860 -4.682 -14.950 1.00 0.00 H ATOM 364 2HD LYS 24 -6.576 -3.941 -15.907 1.00 0.00 H ATOM 365 1HE LYS 24 -4.899 -5.090 -14.430 1.00 0.00 H ATOM 366 2HE LYS 24 -6.237 -5.935 -13.650 1.00 0.00 H ATOM 367 1HZ LYS 24 -6.871 -6.617 -16.011 1.00 0.00 H ATOM 368 2HZ LYS 24 -5.295 -6.150 -16.440 1.00 0.00 H ATOM 369 3HZ LYS 24 -5.537 -7.387 -15.301 1.00 0.00 H ATOM 370 N PRO 25 -8.185 -0.591 -11.420 1.00 0.00 N ATOM 371 CA PRO 25 -8.906 0.611 -10.964 1.00 0.00 C ATOM 372 C PRO 25 -10.259 0.723 -11.673 1.00 0.00 C ATOM 373 O PRO 25 -10.336 0.750 -12.885 1.00 0.00 O ATOM 374 CB PRO 25 -7.979 1.761 -11.369 1.00 0.00 C ATOM 375 CG PRO 25 -7.083 1.217 -12.507 1.00 0.00 C ATOM 376 CD PRO 25 -7.093 -0.317 -12.376 1.00 0.00 C ATOM 377 HA PRO 25 -9.034 0.598 -9.894 1.00 0.00 H ATOM 378 1HB PRO 25 -8.563 2.601 -11.719 1.00 0.00 H ATOM 379 2HB PRO 25 -7.366 2.056 -10.532 1.00 0.00 H ATOM 380 1HG PRO 25 -7.485 1.514 -13.466 1.00 0.00 H ATOM 381 2HG PRO 25 -6.076 1.586 -12.395 1.00 0.00 H ATOM 382 1HD PRO 25 -7.298 -0.777 -13.332 1.00 0.00 H ATOM 383 2HD PRO 25 -6.154 -0.669 -11.979 1.00 0.00 H ATOM 384 N GLY 26 -11.327 0.786 -10.925 1.00 0.00 N ATOM 385 CA GLY 26 -12.673 0.895 -11.555 1.00 0.00 C ATOM 386 C GLY 26 -13.488 -0.359 -11.237 1.00 0.00 C ATOM 387 O GLY 26 -14.525 -0.603 -11.822 1.00 0.00 O ATOM 388 H GLY 26 -11.243 0.761 -9.949 1.00 0.00 H ATOM 389 1HA GLY 26 -13.183 1.767 -11.166 1.00 0.00 H ATOM 390 2HA GLY 26 -12.563 0.986 -12.626 1.00 0.00 H ATOM 391 N GLU 27 -13.029 -1.158 -10.312 1.00 0.00 N ATOM 392 CA GLU 27 -13.778 -2.396 -9.957 1.00 0.00 C ATOM 393 C GLU 27 -14.209 -2.328 -8.491 1.00 0.00 C ATOM 394 O GLU 27 -14.058 -1.316 -7.835 1.00 0.00 O ATOM 395 CB GLU 27 -12.877 -3.615 -10.168 1.00 0.00 C ATOM 396 CG GLU 27 -12.210 -3.526 -11.542 1.00 0.00 C ATOM 397 CD GLU 27 -12.678 -4.692 -12.414 1.00 0.00 C ATOM 398 OE1 GLU 27 -13.107 -5.689 -11.855 1.00 0.00 O ATOM 399 OE2 GLU 27 -12.600 -4.569 -13.625 1.00 0.00 O ATOM 400 H GLU 27 -12.191 -0.943 -9.852 1.00 0.00 H ATOM 401 HA GLU 27 -14.652 -2.481 -10.586 1.00 0.00 H ATOM 402 1HB GLU 27 -12.119 -3.639 -9.399 1.00 0.00 H ATOM 403 2HB GLU 27 -13.471 -4.515 -10.116 1.00 0.00 H ATOM 404 1HG GLU 27 -12.480 -2.592 -12.013 1.00 0.00 H ATOM 405 2HG GLU 27 -11.138 -3.574 -11.425 1.00 0.00 H ATOM 406 N ALA 28 -14.746 -3.398 -7.971 1.00 0.00 N ATOM 407 CA ALA 28 -15.187 -3.394 -6.547 1.00 0.00 C ATOM 408 C ALA 28 -14.113 -4.052 -5.679 1.00 0.00 C ATOM 409 O ALA 28 -13.349 -4.878 -6.138 1.00 0.00 O ATOM 410 CB ALA 28 -16.497 -4.174 -6.417 1.00 0.00 C ATOM 411 H ALA 28 -14.860 -4.204 -8.516 1.00 0.00 H ATOM 412 HA ALA 28 -15.340 -2.376 -6.221 1.00 0.00 H ATOM 413 1HB ALA 28 -16.656 -4.762 -7.308 1.00 0.00 H ATOM 414 2HB ALA 28 -16.442 -4.828 -5.559 1.00 0.00 H ATOM 415 3HB ALA 28 -17.316 -3.482 -6.290 1.00 0.00 H ATOM 416 N VAL 29 -14.047 -3.692 -4.426 1.00 0.00 N ATOM 417 CA VAL 29 -13.022 -4.297 -3.529 1.00 0.00 C ATOM 418 C VAL 29 -13.652 -4.605 -2.169 1.00 0.00 C ATOM 419 O VAL 29 -14.698 -4.089 -1.828 1.00 0.00 O ATOM 420 CB VAL 29 -11.864 -3.316 -3.344 1.00 0.00 C ATOM 421 CG1 VAL 29 -12.413 -1.946 -2.944 1.00 0.00 C ATOM 422 CG2 VAL 29 -10.932 -3.832 -2.245 1.00 0.00 C ATOM 423 H VAL 29 -14.672 -3.024 -4.075 1.00 0.00 H ATOM 424 HA VAL 29 -12.653 -5.212 -3.970 1.00 0.00 H ATOM 425 HB VAL 29 -11.316 -3.227 -4.271 1.00 0.00 H ATOM 426 1HG1 VAL 29 -12.986 -2.040 -2.033 1.00 0.00 H ATOM 427 2HG1 VAL 29 -11.593 -1.262 -2.784 1.00 0.00 H ATOM 428 3HG1 VAL 29 -13.049 -1.569 -3.731 1.00 0.00 H ATOM 429 1HG2 VAL 29 -10.628 -4.842 -2.474 1.00 0.00 H ATOM 430 2HG2 VAL 29 -10.059 -3.198 -2.187 1.00 0.00 H ATOM 431 3HG2 VAL 29 -11.450 -3.818 -1.297 1.00 0.00 H ATOM 432 N LYS 30 -13.025 -5.443 -1.390 1.00 0.00 N ATOM 433 CA LYS 30 -13.588 -5.782 -0.053 1.00 0.00 C ATOM 434 C LYS 30 -12.476 -5.737 0.996 1.00 0.00 C ATOM 435 O LYS 30 -11.451 -6.373 0.854 1.00 0.00 O ATOM 436 CB LYS 30 -14.192 -7.188 -0.096 1.00 0.00 C ATOM 437 CG LYS 30 -15.353 -7.276 0.896 1.00 0.00 C ATOM 438 CD LYS 30 -16.644 -7.603 0.143 1.00 0.00 C ATOM 439 CE LYS 30 -17.056 -9.046 0.438 1.00 0.00 C ATOM 440 NZ LYS 30 -16.692 -9.913 -0.718 1.00 0.00 N ATOM 441 H LYS 30 -12.182 -5.849 -1.684 1.00 0.00 H ATOM 442 HA LYS 30 -14.356 -5.069 0.205 1.00 0.00 H ATOM 443 1HB LYS 30 -14.553 -7.394 -1.094 1.00 0.00 H ATOM 444 2HB LYS 30 -13.437 -7.912 0.171 1.00 0.00 H ATOM 445 1HG LYS 30 -15.150 -8.053 1.619 1.00 0.00 H ATOM 446 2HG LYS 30 -15.465 -6.330 1.404 1.00 0.00 H ATOM 447 1HD LYS 30 -17.427 -6.931 0.464 1.00 0.00 H ATOM 448 2HD LYS 30 -16.482 -7.487 -0.918 1.00 0.00 H ATOM 449 1HE LYS 30 -16.544 -9.393 1.323 1.00 0.00 H ATOM 450 2HE LYS 30 -18.123 -9.090 0.600 1.00 0.00 H ATOM 451 1HZ LYS 30 -15.777 -9.609 -1.106 1.00 0.00 H ATOM 452 2HZ LYS 30 -16.622 -10.901 -0.403 1.00 0.00 H ATOM 453 3HZ LYS 30 -17.425 -9.834 -1.454 1.00 0.00 H ATOM 454 N ARG 31 -12.669 -4.986 2.047 1.00 0.00 N ATOM 455 CA ARG 31 -11.626 -4.896 3.104 1.00 0.00 C ATOM 456 C ARG 31 -11.059 -6.289 3.388 1.00 0.00 C ATOM 457 O ARG 31 -11.756 -7.281 3.306 1.00 0.00 O ATOM 458 CB ARG 31 -12.244 -4.327 4.383 1.00 0.00 C ATOM 459 CG ARG 31 -11.166 -4.203 5.461 1.00 0.00 C ATOM 460 CD ARG 31 -11.759 -3.536 6.703 1.00 0.00 C ATOM 461 NE ARG 31 -12.729 -4.464 7.350 1.00 0.00 N ATOM 462 CZ ARG 31 -12.558 -4.823 8.593 1.00 0.00 C ATOM 463 NH1 ARG 31 -12.013 -5.975 8.870 1.00 0.00 N ATOM 464 NH2 ARG 31 -12.934 -4.030 9.559 1.00 0.00 N ATOM 465 H ARG 31 -13.501 -4.480 2.139 1.00 0.00 H ATOM 466 HA ARG 31 -10.834 -4.246 2.769 1.00 0.00 H ATOM 467 1HB ARG 31 -12.663 -3.352 4.178 1.00 0.00 H ATOM 468 2HB ARG 31 -13.024 -4.988 4.731 1.00 0.00 H ATOM 469 1HG ARG 31 -10.801 -5.187 5.720 1.00 0.00 H ATOM 470 2HG ARG 31 -10.350 -3.603 5.088 1.00 0.00 H ATOM 471 1HD ARG 31 -10.967 -3.301 7.399 1.00 0.00 H ATOM 472 2HD ARG 31 -12.267 -2.627 6.415 1.00 0.00 H ATOM 473 HE ARG 31 -13.495 -4.804 6.843 1.00 0.00 H ATOM 474 1HH1 ARG 31 -11.725 -6.583 8.130 1.00 0.00 H ATOM 475 2HH1 ARG 31 -11.882 -6.251 9.823 1.00 0.00 H ATOM 476 1HH2 ARG 31 -13.352 -3.146 9.347 1.00 0.00 H ATOM 477 2HH2 ARG 31 -12.803 -4.305 10.512 1.00 0.00 H ATOM 478 N ASP 32 -9.801 -6.371 3.722 1.00 0.00 N ATOM 479 CA ASP 32 -9.192 -7.700 4.010 1.00 0.00 C ATOM 480 C ASP 32 -8.959 -8.450 2.697 1.00 0.00 C ATOM 481 O ASP 32 -9.066 -9.659 2.634 1.00 0.00 O ATOM 482 CB ASP 32 -10.135 -8.511 4.901 1.00 0.00 C ATOM 483 CG ASP 32 -9.326 -9.518 5.720 1.00 0.00 C ATOM 484 OD1 ASP 32 -8.659 -9.096 6.650 1.00 0.00 O ATOM 485 OD2 ASP 32 -9.386 -10.695 5.402 1.00 0.00 O ATOM 486 H ASP 32 -9.256 -5.559 3.783 1.00 0.00 H ATOM 487 HA ASP 32 -8.248 -7.562 4.517 1.00 0.00 H ATOM 488 1HB ASP 32 -10.662 -7.844 5.568 1.00 0.00 H ATOM 489 2HB ASP 32 -10.847 -9.040 4.284 1.00 0.00 H ATOM 490 N GLU 33 -8.642 -7.743 1.647 1.00 0.00 N ATOM 491 CA GLU 33 -8.404 -8.416 0.339 1.00 0.00 C ATOM 492 C GLU 33 -7.198 -7.776 -0.351 1.00 0.00 C ATOM 493 O GLU 33 -7.162 -6.583 -0.578 1.00 0.00 O ATOM 494 CB GLU 33 -9.641 -8.260 -0.548 1.00 0.00 C ATOM 495 CG GLU 33 -9.844 -9.535 -1.370 1.00 0.00 C ATOM 496 CD GLU 33 -10.805 -9.249 -2.525 1.00 0.00 C ATOM 497 OE1 GLU 33 -10.771 -8.143 -3.039 1.00 0.00 O ATOM 498 OE2 GLU 33 -11.559 -10.142 -2.877 1.00 0.00 O ATOM 499 H GLU 33 -8.562 -6.769 1.719 1.00 0.00 H ATOM 500 HA GLU 33 -8.209 -9.465 0.505 1.00 0.00 H ATOM 501 1HB GLU 33 -10.509 -8.089 0.072 1.00 0.00 H ATOM 502 2HB GLU 33 -9.503 -7.423 -1.214 1.00 0.00 H ATOM 503 1HG GLU 33 -8.893 -9.863 -1.764 1.00 0.00 H ATOM 504 2HG GLU 33 -10.259 -10.307 -0.741 1.00 0.00 H ATOM 505 N LEU 34 -6.208 -8.560 -0.685 1.00 0.00 N ATOM 506 CA LEU 34 -5.005 -8.000 -1.359 1.00 0.00 C ATOM 507 C LEU 34 -5.439 -7.000 -2.432 1.00 0.00 C ATOM 508 O LEU 34 -6.548 -7.047 -2.926 1.00 0.00 O ATOM 509 CB LEU 34 -4.212 -9.136 -2.009 1.00 0.00 C ATOM 510 CG LEU 34 -2.933 -8.576 -2.631 1.00 0.00 C ATOM 511 CD1 LEU 34 -2.083 -7.915 -1.544 1.00 0.00 C ATOM 512 CD2 LEU 34 -2.139 -9.715 -3.274 1.00 0.00 C ATOM 513 H LEU 34 -6.256 -9.518 -0.491 1.00 0.00 H ATOM 514 HA LEU 34 -4.387 -7.502 -0.629 1.00 0.00 H ATOM 515 1HB LEU 34 -3.957 -9.871 -1.259 1.00 0.00 H ATOM 516 2HB LEU 34 -4.812 -9.599 -2.778 1.00 0.00 H ATOM 517 HG LEU 34 -3.189 -7.843 -3.383 1.00 0.00 H ATOM 518 1HD1 LEU 34 -2.445 -8.214 -0.572 1.00 0.00 H ATOM 519 2HD1 LEU 34 -1.053 -8.223 -1.655 1.00 0.00 H ATOM 520 3HD1 LEU 34 -2.149 -6.841 -1.638 1.00 0.00 H ATOM 521 1HD2 LEU 34 -2.092 -10.551 -2.592 1.00 0.00 H ATOM 522 2HD2 LEU 34 -2.627 -10.023 -4.187 1.00 0.00 H ATOM 523 3HD2 LEU 34 -1.139 -9.376 -3.498 1.00 0.00 H ATOM 524 N ILE 35 -4.574 -6.093 -2.797 1.00 0.00 N ATOM 525 CA ILE 35 -4.941 -5.091 -3.837 1.00 0.00 C ATOM 526 C ILE 35 -3.757 -4.872 -4.781 1.00 0.00 C ATOM 527 O ILE 35 -3.923 -4.711 -5.973 1.00 0.00 O ATOM 528 CB ILE 35 -5.307 -3.768 -3.163 1.00 0.00 C ATOM 529 CG1 ILE 35 -6.587 -3.951 -2.344 1.00 0.00 C ATOM 530 CG2 ILE 35 -5.535 -2.696 -4.230 1.00 0.00 C ATOM 531 CD1 ILE 35 -7.740 -4.330 -3.276 1.00 0.00 C ATOM 532 H ILE 35 -3.684 -6.070 -2.387 1.00 0.00 H ATOM 533 HA ILE 35 -5.787 -5.453 -4.402 1.00 0.00 H ATOM 534 HB ILE 35 -4.501 -3.461 -2.512 1.00 0.00 H ATOM 535 1HG1 ILE 35 -6.439 -4.736 -1.616 1.00 0.00 H ATOM 536 2HG1 ILE 35 -6.826 -3.028 -1.837 1.00 0.00 H ATOM 537 1HG2 ILE 35 -6.249 -3.057 -4.956 1.00 0.00 H ATOM 538 2HG2 ILE 35 -5.918 -1.800 -3.765 1.00 0.00 H ATOM 539 3HG2 ILE 35 -4.600 -2.475 -4.724 1.00 0.00 H ATOM 540 1HD1 ILE 35 -7.824 -3.593 -4.062 1.00 0.00 H ATOM 541 2HD1 ILE 35 -7.548 -5.299 -3.711 1.00 0.00 H ATOM 542 3HD1 ILE 35 -8.661 -4.363 -2.714 1.00 0.00 H ATOM 543 N VAL 36 -2.561 -4.863 -4.258 1.00 0.00 N ATOM 544 CA VAL 36 -1.371 -4.653 -5.129 1.00 0.00 C ATOM 545 C VAL 36 -0.101 -5.012 -4.355 1.00 0.00 C ATOM 546 O VAL 36 0.037 -4.699 -3.189 1.00 0.00 O ATOM 547 CB VAL 36 -1.307 -3.188 -5.561 1.00 0.00 C ATOM 548 CG1 VAL 36 -1.221 -2.293 -4.323 1.00 0.00 C ATOM 549 CG2 VAL 36 -0.070 -2.968 -6.435 1.00 0.00 C ATOM 550 H VAL 36 -2.447 -4.994 -3.293 1.00 0.00 H ATOM 551 HA VAL 36 -1.449 -5.283 -6.003 1.00 0.00 H ATOM 552 HB VAL 36 -2.196 -2.939 -6.123 1.00 0.00 H ATOM 553 1HG1 VAL 36 -0.342 -2.553 -3.752 1.00 0.00 H ATOM 554 2HG1 VAL 36 -1.158 -1.259 -4.629 1.00 0.00 H ATOM 555 3HG1 VAL 36 -2.101 -2.435 -3.714 1.00 0.00 H ATOM 556 1HG2 VAL 36 0.454 -3.904 -6.558 1.00 0.00 H ATOM 557 2HG2 VAL 36 -0.374 -2.595 -7.401 1.00 0.00 H ATOM 558 3HG2 VAL 36 0.582 -2.250 -5.960 1.00 0.00 H ATOM 559 N ASP 37 0.830 -5.665 -4.995 1.00 0.00 N ATOM 560 CA ASP 37 2.091 -6.042 -4.297 1.00 0.00 C ATOM 561 C ASP 37 3.185 -5.029 -4.640 1.00 0.00 C ATOM 562 O ASP 37 3.113 -4.337 -5.636 1.00 0.00 O ATOM 563 CB ASP 37 2.527 -7.437 -4.750 1.00 0.00 C ATOM 564 CG ASP 37 1.905 -8.490 -3.831 1.00 0.00 C ATOM 565 OD1 ASP 37 0.733 -8.359 -3.520 1.00 0.00 O ATOM 566 OD2 ASP 37 2.612 -9.411 -3.454 1.00 0.00 O ATOM 567 H ASP 37 0.700 -5.907 -5.936 1.00 0.00 H ATOM 568 HA ASP 37 1.925 -6.046 -3.230 1.00 0.00 H ATOM 569 1HB ASP 37 2.198 -7.605 -5.766 1.00 0.00 H ATOM 570 2HB ASP 37 3.603 -7.512 -4.703 1.00 0.00 H ATOM 571 N ILE 38 4.197 -4.934 -3.822 1.00 0.00 N ATOM 572 CA ILE 38 5.293 -3.964 -4.103 1.00 0.00 C ATOM 573 C ILE 38 6.634 -4.700 -4.126 1.00 0.00 C ATOM 574 O ILE 38 6.799 -5.729 -3.502 1.00 0.00 O ATOM 575 CB ILE 38 5.318 -2.894 -3.010 1.00 0.00 C ATOM 576 CG1 ILE 38 3.929 -2.264 -2.884 1.00 0.00 C ATOM 577 CG2 ILE 38 6.336 -1.812 -3.378 1.00 0.00 C ATOM 578 CD1 ILE 38 3.815 -1.546 -1.537 1.00 0.00 C ATOM 579 H ILE 38 4.237 -5.501 -3.023 1.00 0.00 H ATOM 580 HA ILE 38 5.123 -3.496 -5.061 1.00 0.00 H ATOM 581 HB ILE 38 5.598 -3.346 -2.070 1.00 0.00 H ATOM 582 1HG1 ILE 38 3.782 -1.554 -3.685 1.00 0.00 H ATOM 583 2HG1 ILE 38 3.177 -3.035 -2.943 1.00 0.00 H ATOM 584 1HG2 ILE 38 6.102 -1.415 -4.354 1.00 0.00 H ATOM 585 2HG2 ILE 38 6.297 -1.018 -2.647 1.00 0.00 H ATOM 586 3HG2 ILE 38 7.327 -2.240 -3.392 1.00 0.00 H ATOM 587 1HD1 ILE 38 4.802 -1.382 -1.132 1.00 0.00 H ATOM 588 2HD1 ILE 38 3.321 -0.596 -1.677 1.00 0.00 H ATOM 589 3HD1 ILE 38 3.241 -2.154 -0.853 1.00 0.00 H ATOM 590 N GLU 39 7.594 -4.181 -4.841 1.00 0.00 N ATOM 591 CA GLU 39 8.923 -4.851 -4.903 1.00 0.00 C ATOM 592 C GLU 39 9.954 -4.009 -4.148 1.00 0.00 C ATOM 593 O GLU 39 10.154 -2.847 -4.439 1.00 0.00 O ATOM 594 CB GLU 39 9.355 -4.995 -6.364 1.00 0.00 C ATOM 595 CG GLU 39 10.257 -6.221 -6.512 1.00 0.00 C ATOM 596 CD GLU 39 10.509 -6.494 -7.996 1.00 0.00 C ATOM 597 OE1 GLU 39 9.540 -6.617 -8.729 1.00 0.00 O ATOM 598 OE2 GLU 39 11.665 -6.575 -8.376 1.00 0.00 O ATOM 599 H GLU 39 7.441 -3.349 -5.338 1.00 0.00 H ATOM 600 HA GLU 39 8.855 -5.829 -4.450 1.00 0.00 H ATOM 601 1HB GLU 39 8.480 -5.112 -6.988 1.00 0.00 H ATOM 602 2HB GLU 39 9.898 -4.112 -6.668 1.00 0.00 H ATOM 603 1HG GLU 39 11.198 -6.038 -6.014 1.00 0.00 H ATOM 604 2HG GLU 39 9.774 -7.079 -6.068 1.00 0.00 H ATOM 605 N THR 40 10.610 -4.587 -3.179 1.00 0.00 N ATOM 606 CA THR 40 11.627 -3.819 -2.406 1.00 0.00 C ATOM 607 C THR 40 13.028 -4.298 -2.790 1.00 0.00 C ATOM 608 O THR 40 13.220 -4.929 -3.810 1.00 0.00 O ATOM 609 CB THR 40 11.404 -4.042 -0.908 1.00 0.00 C ATOM 610 OG1 THR 40 12.002 -5.270 -0.520 1.00 0.00 O ATOM 611 CG2 THR 40 9.904 -4.086 -0.614 1.00 0.00 C ATOM 612 H THR 40 10.434 -5.526 -2.959 1.00 0.00 H ATOM 613 HA THR 40 11.531 -2.767 -2.632 1.00 0.00 H ATOM 614 HB THR 40 11.851 -3.232 -0.353 1.00 0.00 H ATOM 615 HG1 THR 40 12.894 -5.084 -0.216 1.00 0.00 H ATOM 616 1HG2 THR 40 9.369 -3.561 -1.392 1.00 0.00 H ATOM 617 2HG2 THR 40 9.574 -5.114 -0.582 1.00 0.00 H ATOM 618 3HG2 THR 40 9.709 -3.616 0.338 1.00 0.00 H ATOM 619 N ASP 41 14.009 -4.000 -1.981 1.00 0.00 N ATOM 620 CA ASP 41 15.397 -4.435 -2.296 1.00 0.00 C ATOM 621 C ASP 41 15.381 -5.878 -2.805 1.00 0.00 C ATOM 622 O ASP 41 15.680 -6.145 -3.952 1.00 0.00 O ATOM 623 CB ASP 41 16.257 -4.349 -1.034 1.00 0.00 C ATOM 624 CG ASP 41 17.718 -4.115 -1.425 1.00 0.00 C ATOM 625 OD1 ASP 41 17.985 -4.023 -2.612 1.00 0.00 O ATOM 626 OD2 ASP 41 18.544 -4.031 -0.531 1.00 0.00 O ATOM 627 H ASP 41 13.832 -3.489 -1.166 1.00 0.00 H ATOM 628 HA ASP 41 15.809 -3.789 -3.055 1.00 0.00 H ATOM 629 1HB ASP 41 15.913 -3.530 -0.419 1.00 0.00 H ATOM 630 2HB ASP 41 16.179 -5.273 -0.481 1.00 0.00 H ATOM 631 N LYS 42 15.035 -6.810 -1.960 1.00 0.00 N ATOM 632 CA LYS 42 15.000 -8.235 -2.396 1.00 0.00 C ATOM 633 C LYS 42 13.818 -8.943 -1.731 1.00 0.00 C ATOM 634 O LYS 42 13.831 -10.142 -1.535 1.00 0.00 O ATOM 635 CB LYS 42 16.303 -8.925 -1.989 1.00 0.00 C ATOM 636 CG LYS 42 17.386 -8.629 -3.029 1.00 0.00 C ATOM 637 CD LYS 42 18.706 -8.322 -2.319 1.00 0.00 C ATOM 638 CE LYS 42 19.431 -9.631 -2.001 1.00 0.00 C ATOM 639 NZ LYS 42 20.892 -9.371 -1.869 1.00 0.00 N ATOM 640 H LYS 42 14.797 -6.574 -1.040 1.00 0.00 H ATOM 641 HA LYS 42 14.889 -8.280 -3.470 1.00 0.00 H ATOM 642 1HB LYS 42 16.619 -8.555 -1.023 1.00 0.00 H ATOM 643 2HB LYS 42 16.144 -9.991 -1.932 1.00 0.00 H ATOM 644 1HG LYS 42 17.512 -9.488 -3.671 1.00 0.00 H ATOM 645 2HG LYS 42 17.092 -7.776 -3.621 1.00 0.00 H ATOM 646 1HD LYS 42 19.326 -7.713 -2.961 1.00 0.00 H ATOM 647 2HD LYS 42 18.507 -7.791 -1.401 1.00 0.00 H ATOM 648 1HE LYS 42 19.052 -10.036 -1.073 1.00 0.00 H ATOM 649 2HE LYS 42 19.261 -10.340 -2.798 1.00 0.00 H ATOM 650 1HZ LYS 42 21.049 -8.622 -1.166 1.00 0.00 H ATOM 651 2HZ LYS 42 21.373 -10.239 -1.561 1.00 0.00 H ATOM 652 3HZ LYS 42 21.274 -9.070 -2.790 1.00 0.00 H ATOM 653 N VAL 43 12.796 -8.210 -1.381 1.00 0.00 N ATOM 654 CA VAL 43 11.615 -8.842 -0.729 1.00 0.00 C ATOM 655 C VAL 43 10.331 -8.274 -1.337 1.00 0.00 C ATOM 656 O VAL 43 10.208 -7.085 -1.551 1.00 0.00 O ATOM 657 CB VAL 43 11.642 -8.545 0.772 1.00 0.00 C ATOM 658 CG1 VAL 43 10.492 -9.282 1.460 1.00 0.00 C ATOM 659 CG2 VAL 43 12.973 -9.019 1.360 1.00 0.00 C ATOM 660 H VAL 43 12.806 -7.244 -1.548 1.00 0.00 H ATOM 661 HA VAL 43 11.646 -9.910 -0.885 1.00 0.00 H ATOM 662 HB VAL 43 11.534 -7.482 0.930 1.00 0.00 H ATOM 663 1HG1 VAL 43 9.793 -9.633 0.715 1.00 0.00 H ATOM 664 2HG1 VAL 43 10.882 -10.123 2.013 1.00 0.00 H ATOM 665 3HG1 VAL 43 9.987 -8.609 2.137 1.00 0.00 H ATOM 666 1HG2 VAL 43 13.485 -9.640 0.639 1.00 0.00 H ATOM 667 2HG2 VAL 43 13.587 -8.162 1.597 1.00 0.00 H ATOM 668 3HG2 VAL 43 12.788 -9.589 2.258 1.00 0.00 H ATOM 669 N VAL 44 9.374 -9.116 -1.618 1.00 0.00 N ATOM 670 CA VAL 44 8.100 -8.623 -2.213 1.00 0.00 C ATOM 671 C VAL 44 7.069 -8.407 -1.103 1.00 0.00 C ATOM 672 O VAL 44 6.700 -9.325 -0.398 1.00 0.00 O ATOM 673 CB VAL 44 7.568 -9.656 -3.207 1.00 0.00 C ATOM 674 CG1 VAL 44 6.156 -9.265 -3.645 1.00 0.00 C ATOM 675 CG2 VAL 44 8.486 -9.702 -4.432 1.00 0.00 C ATOM 676 H VAL 44 9.494 -10.072 -1.438 1.00 0.00 H ATOM 677 HA VAL 44 8.279 -7.689 -2.724 1.00 0.00 H ATOM 678 HB VAL 44 7.543 -10.629 -2.737 1.00 0.00 H ATOM 679 1HG1 VAL 44 5.932 -8.270 -3.290 1.00 0.00 H ATOM 680 2HG1 VAL 44 6.094 -9.285 -4.723 1.00 0.00 H ATOM 681 3HG1 VAL 44 5.444 -9.964 -3.231 1.00 0.00 H ATOM 682 1HG2 VAL 44 9.497 -9.915 -4.116 1.00 0.00 H ATOM 683 2HG2 VAL 44 8.149 -10.477 -5.105 1.00 0.00 H ATOM 684 3HG2 VAL 44 8.459 -8.749 -4.938 1.00 0.00 H ATOM 685 N MET 45 6.602 -7.199 -0.941 1.00 0.00 N ATOM 686 CA MET 45 5.596 -6.926 0.123 1.00 0.00 C ATOM 687 C MET 45 4.188 -7.028 -0.467 1.00 0.00 C ATOM 688 O MET 45 4.014 -7.292 -1.641 1.00 0.00 O ATOM 689 CB MET 45 5.813 -5.518 0.682 1.00 0.00 C ATOM 690 CG MET 45 7.126 -5.477 1.465 1.00 0.00 C ATOM 691 SD MET 45 6.911 -4.464 2.950 1.00 0.00 S ATOM 692 CE MET 45 8.646 -3.992 3.156 1.00 0.00 C ATOM 693 H MET 45 6.913 -6.472 -1.520 1.00 0.00 H ATOM 694 HA MET 45 5.706 -7.649 0.918 1.00 0.00 H ATOM 695 1HB MET 45 5.857 -4.811 -0.134 1.00 0.00 H ATOM 696 2HB MET 45 4.996 -5.261 1.339 1.00 0.00 H ATOM 697 1HG MET 45 7.407 -6.480 1.751 1.00 0.00 H ATOM 698 2HG MET 45 7.901 -5.049 0.847 1.00 0.00 H ATOM 699 1HE MET 45 9.280 -4.778 2.768 1.00 0.00 H ATOM 700 2HE MET 45 8.834 -3.072 2.620 1.00 0.00 H ATOM 701 3HE MET 45 8.859 -3.845 4.203 1.00 0.00 H ATOM 702 N GLU 46 3.181 -6.822 0.336 1.00 0.00 N ATOM 703 CA GLU 46 1.786 -6.907 -0.180 1.00 0.00 C ATOM 704 C GLU 46 0.994 -5.683 0.284 1.00 0.00 C ATOM 705 O GLU 46 1.241 -5.136 1.340 1.00 0.00 O ATOM 706 CB GLU 46 1.120 -8.177 0.355 1.00 0.00 C ATOM 707 CG GLU 46 1.622 -8.459 1.773 1.00 0.00 C ATOM 708 CD GLU 46 0.498 -9.087 2.597 1.00 0.00 C ATOM 709 OE1 GLU 46 -0.079 -10.057 2.133 1.00 0.00 O ATOM 710 OE2 GLU 46 0.233 -8.589 3.679 1.00 0.00 O ATOM 711 H GLU 46 3.342 -6.611 1.280 1.00 0.00 H ATOM 712 HA GLU 46 1.803 -6.937 -1.259 1.00 0.00 H ATOM 713 1HB GLU 46 0.049 -8.042 0.372 1.00 0.00 H ATOM 714 2HB GLU 46 1.369 -9.011 -0.285 1.00 0.00 H ATOM 715 1HG GLU 46 2.462 -9.138 1.729 1.00 0.00 H ATOM 716 2HG GLU 46 1.931 -7.533 2.236 1.00 0.00 H ATOM 717 N VAL 47 0.044 -5.248 -0.498 1.00 0.00 N ATOM 718 CA VAL 47 -0.762 -4.059 -0.101 1.00 0.00 C ATOM 719 C VAL 47 -2.242 -4.443 -0.044 1.00 0.00 C ATOM 720 O VAL 47 -2.878 -4.651 -1.058 1.00 0.00 O ATOM 721 CB VAL 47 -0.564 -2.943 -1.128 1.00 0.00 C ATOM 722 CG1 VAL 47 -1.217 -1.657 -0.617 1.00 0.00 C ATOM 723 CG2 VAL 47 0.933 -2.704 -1.337 1.00 0.00 C ATOM 724 H VAL 47 -0.139 -5.703 -1.346 1.00 0.00 H ATOM 725 HA VAL 47 -0.441 -3.715 0.871 1.00 0.00 H ATOM 726 HB VAL 47 -1.019 -3.230 -2.064 1.00 0.00 H ATOM 727 1HG1 VAL 47 -1.657 -1.838 0.353 1.00 0.00 H ATOM 728 2HG1 VAL 47 -0.471 -0.881 -0.535 1.00 0.00 H ATOM 729 3HG1 VAL 47 -1.986 -1.345 -1.308 1.00 0.00 H ATOM 730 1HG2 VAL 47 1.487 -3.566 -0.997 1.00 0.00 H ATOM 731 2HG2 VAL 47 1.128 -2.541 -2.387 1.00 0.00 H ATOM 732 3HG2 VAL 47 1.241 -1.834 -0.775 1.00 0.00 H ATOM 733 N LEU 48 -2.794 -4.538 1.134 1.00 0.00 N ATOM 734 CA LEU 48 -4.232 -4.908 1.255 1.00 0.00 C ATOM 735 C LEU 48 -5.071 -3.642 1.443 1.00 0.00 C ATOM 736 O LEU 48 -4.599 -2.642 1.946 1.00 0.00 O ATOM 737 CB LEU 48 -4.422 -5.829 2.462 1.00 0.00 C ATOM 738 CG LEU 48 -4.979 -7.175 1.995 1.00 0.00 C ATOM 739 CD1 LEU 48 -3.839 -8.190 1.889 1.00 0.00 C ATOM 740 CD2 LEU 48 -6.013 -7.676 3.005 1.00 0.00 C ATOM 741 H LEU 48 -2.263 -4.366 1.940 1.00 0.00 H ATOM 742 HA LEU 48 -4.549 -5.420 0.358 1.00 0.00 H ATOM 743 1HB LEU 48 -3.471 -5.982 2.951 1.00 0.00 H ATOM 744 2HB LEU 48 -5.116 -5.377 3.155 1.00 0.00 H ATOM 745 HG LEU 48 -5.445 -7.056 1.028 1.00 0.00 H ATOM 746 1HD1 LEU 48 -3.037 -7.771 1.299 1.00 0.00 H ATOM 747 2HD1 LEU 48 -3.473 -8.426 2.877 1.00 0.00 H ATOM 748 3HD1 LEU 48 -4.201 -9.090 1.415 1.00 0.00 H ATOM 749 1HD2 LEU 48 -6.648 -6.856 3.308 1.00 0.00 H ATOM 750 2HD2 LEU 48 -6.616 -8.448 2.550 1.00 0.00 H ATOM 751 3HD2 LEU 48 -5.507 -8.078 3.870 1.00 0.00 H ATOM 752 N ALA 49 -6.312 -3.677 1.042 1.00 0.00 N ATOM 753 CA ALA 49 -7.180 -2.475 1.197 1.00 0.00 C ATOM 754 C ALA 49 -7.624 -2.353 2.656 1.00 0.00 C ATOM 755 O ALA 49 -7.873 -3.337 3.324 1.00 0.00 O ATOM 756 CB ALA 49 -8.410 -2.615 0.299 1.00 0.00 C ATOM 757 H ALA 49 -6.674 -4.493 0.638 1.00 0.00 H ATOM 758 HA ALA 49 -6.625 -1.593 0.915 1.00 0.00 H ATOM 759 1HB ALA 49 -8.739 -3.643 0.296 1.00 0.00 H ATOM 760 2HB ALA 49 -9.203 -1.984 0.674 1.00 0.00 H ATOM 761 3HB ALA 49 -8.157 -2.315 -0.707 1.00 0.00 H ATOM 762 N GLU 50 -7.726 -1.152 3.157 1.00 0.00 N ATOM 763 CA GLU 50 -8.154 -0.969 4.572 1.00 0.00 C ATOM 764 C GLU 50 -9.658 -0.691 4.618 1.00 0.00 C ATOM 765 O GLU 50 -10.185 -0.239 5.616 1.00 0.00 O ATOM 766 CB GLU 50 -7.398 0.212 5.185 1.00 0.00 C ATOM 767 CG GLU 50 -6.539 -0.281 6.351 1.00 0.00 C ATOM 768 CD GLU 50 -7.413 -0.445 7.596 1.00 0.00 C ATOM 769 OE1 GLU 50 -8.623 -0.478 7.446 1.00 0.00 O ATOM 770 OE2 GLU 50 -6.857 -0.534 8.678 1.00 0.00 O ATOM 771 H GLU 50 -7.521 -0.371 2.602 1.00 0.00 H ATOM 772 HA GLU 50 -7.936 -1.866 5.133 1.00 0.00 H ATOM 773 1HB GLU 50 -6.764 0.662 4.434 1.00 0.00 H ATOM 774 2HB GLU 50 -8.105 0.944 5.545 1.00 0.00 H ATOM 775 1HG GLU 50 -6.095 -1.231 6.094 1.00 0.00 H ATOM 776 2HG GLU 50 -5.759 0.438 6.553 1.00 0.00 H ATOM 777 N ALA 51 -10.353 -0.957 3.547 1.00 0.00 N ATOM 778 CA ALA 51 -11.822 -0.707 3.531 1.00 0.00 C ATOM 779 C ALA 51 -12.337 -0.785 2.092 1.00 0.00 C ATOM 780 O ALA 51 -11.639 -0.456 1.154 1.00 0.00 O ATOM 781 CB ALA 51 -12.110 0.683 4.101 1.00 0.00 C ATOM 782 H ALA 51 -9.909 -1.321 2.752 1.00 0.00 H ATOM 783 HA ALA 51 -12.321 -1.453 4.132 1.00 0.00 H ATOM 784 1HB ALA 51 -11.206 1.274 4.082 1.00 0.00 H ATOM 785 2HB ALA 51 -12.868 1.167 3.503 1.00 0.00 H ATOM 786 3HB ALA 51 -12.458 0.590 5.118 1.00 0.00 H ATOM 787 N ASP 52 -13.555 -1.219 1.911 1.00 0.00 N ATOM 788 CA ASP 52 -14.113 -1.317 0.533 1.00 0.00 C ATOM 789 C ASP 52 -14.344 0.091 -0.022 1.00 0.00 C ATOM 790 O ASP 52 -14.238 1.076 0.682 1.00 0.00 O ATOM 791 CB ASP 52 -15.432 -2.111 0.577 1.00 0.00 C ATOM 792 CG ASP 52 -16.394 -1.650 -0.525 1.00 0.00 C ATOM 793 OD1 ASP 52 -16.995 -0.601 -0.358 1.00 0.00 O ATOM 794 OD2 ASP 52 -16.513 -2.354 -1.514 1.00 0.00 O ATOM 795 H ASP 52 -14.102 -1.480 2.681 1.00 0.00 H ATOM 796 HA ASP 52 -13.406 -1.835 -0.099 1.00 0.00 H ATOM 797 1HB ASP 52 -15.213 -3.155 0.430 1.00 0.00 H ATOM 798 2HB ASP 52 -15.900 -1.975 1.540 1.00 0.00 H ATOM 799 N GLY 53 -14.658 0.185 -1.281 1.00 0.00 N ATOM 800 CA GLY 53 -14.898 1.522 -1.896 1.00 0.00 C ATOM 801 C GLY 53 -14.687 1.434 -3.408 1.00 0.00 C ATOM 802 O GLY 53 -14.963 0.424 -4.025 1.00 0.00 O ATOM 803 H GLY 53 -14.738 -0.629 -1.824 1.00 0.00 H ATOM 804 1HA GLY 53 -15.914 1.835 -1.689 1.00 0.00 H ATOM 805 2HA GLY 53 -14.206 2.239 -1.480 1.00 0.00 H ATOM 806 N VAL 54 -14.201 2.484 -4.011 1.00 0.00 N ATOM 807 CA VAL 54 -13.973 2.460 -5.483 1.00 0.00 C ATOM 808 C VAL 54 -12.605 3.068 -5.798 1.00 0.00 C ATOM 809 O VAL 54 -12.309 4.184 -5.420 1.00 0.00 O ATOM 810 CB VAL 54 -15.065 3.272 -6.182 1.00 0.00 C ATOM 811 CG1 VAL 54 -14.679 3.497 -7.645 1.00 0.00 C ATOM 812 CG2 VAL 54 -16.388 2.505 -6.117 1.00 0.00 C ATOM 813 H VAL 54 -13.985 3.289 -3.495 1.00 0.00 H ATOM 814 HA VAL 54 -14.003 1.439 -5.834 1.00 0.00 H ATOM 815 HB VAL 54 -15.176 4.226 -5.688 1.00 0.00 H ATOM 816 1HG1 VAL 54 -13.978 2.736 -7.953 1.00 0.00 H ATOM 817 2HG1 VAL 54 -15.563 3.443 -8.263 1.00 0.00 H ATOM 818 3HG1 VAL 54 -14.224 4.470 -7.751 1.00 0.00 H ATOM 819 1HG2 VAL 54 -16.603 2.243 -5.091 1.00 0.00 H ATOM 820 2HG2 VAL 54 -17.183 3.124 -6.505 1.00 0.00 H ATOM 821 3HG2 VAL 54 -16.312 1.605 -6.709 1.00 0.00 H ATOM 822 N ILE 55 -11.768 2.342 -6.487 1.00 0.00 N ATOM 823 CA ILE 55 -10.420 2.878 -6.826 1.00 0.00 C ATOM 824 C ILE 55 -10.561 4.000 -7.856 1.00 0.00 C ATOM 825 O ILE 55 -11.551 4.095 -8.554 1.00 0.00 O ATOM 826 CB ILE 55 -9.562 1.755 -7.410 1.00 0.00 C ATOM 827 CG1 ILE 55 -9.613 0.540 -6.478 1.00 0.00 C ATOM 828 CG2 ILE 55 -8.115 2.235 -7.548 1.00 0.00 C ATOM 829 CD1 ILE 55 -8.777 0.815 -5.226 1.00 0.00 C ATOM 830 H ILE 55 -12.026 1.444 -6.783 1.00 0.00 H ATOM 831 HA ILE 55 -9.951 3.264 -5.934 1.00 0.00 H ATOM 832 HB ILE 55 -9.943 1.480 -8.383 1.00 0.00 H ATOM 833 1HG1 ILE 55 -10.637 0.350 -6.192 1.00 0.00 H ATOM 834 2HG1 ILE 55 -9.217 -0.322 -6.990 1.00 0.00 H ATOM 835 1HG2 ILE 55 -7.839 2.803 -6.672 1.00 0.00 H ATOM 836 2HG2 ILE 55 -7.460 1.382 -7.646 1.00 0.00 H ATOM 837 3HG2 ILE 55 -8.026 2.860 -8.425 1.00 0.00 H ATOM 838 1HD1 ILE 55 -8.932 1.835 -4.906 1.00 0.00 H ATOM 839 2HD1 ILE 55 -9.078 0.141 -4.437 1.00 0.00 H ATOM 840 3HD1 ILE 55 -7.732 0.663 -5.450 1.00 0.00 H ATOM 841 N ALA 56 -9.578 4.853 -7.957 1.00 0.00 N ATOM 842 CA ALA 56 -9.657 5.968 -8.942 1.00 0.00 C ATOM 843 C ALA 56 -8.947 5.558 -10.234 1.00 0.00 C ATOM 844 O ALA 56 -9.557 5.438 -11.278 1.00 0.00 O ATOM 845 CB ALA 56 -8.981 7.211 -8.361 1.00 0.00 C ATOM 846 H ALA 56 -8.788 4.759 -7.385 1.00 0.00 H ATOM 847 HA ALA 56 -10.693 6.187 -9.155 1.00 0.00 H ATOM 848 1HB ALA 56 -8.822 7.072 -7.301 1.00 0.00 H ATOM 849 2HB ALA 56 -8.031 7.367 -8.850 1.00 0.00 H ATOM 850 3HB ALA 56 -9.614 8.072 -8.520 1.00 0.00 H ATOM 851 N GLU 57 -7.661 5.342 -10.172 1.00 0.00 N ATOM 852 CA GLU 57 -6.914 4.941 -11.397 1.00 0.00 C ATOM 853 C GLU 57 -5.439 4.732 -11.049 1.00 0.00 C ATOM 854 O GLU 57 -4.890 5.405 -10.200 1.00 0.00 O ATOM 855 CB GLU 57 -7.038 6.040 -12.454 1.00 0.00 C ATOM 856 CG GLU 57 -6.475 7.349 -11.899 1.00 0.00 C ATOM 857 CD GLU 57 -7.147 8.532 -12.598 1.00 0.00 C ATOM 858 OE1 GLU 57 -8.150 8.313 -13.257 1.00 0.00 O ATOM 859 OE2 GLU 57 -6.648 9.637 -12.462 1.00 0.00 O ATOM 860 H GLU 57 -7.187 5.444 -9.321 1.00 0.00 H ATOM 861 HA GLU 57 -7.326 4.021 -11.785 1.00 0.00 H ATOM 862 1HB GLU 57 -6.484 5.754 -13.337 1.00 0.00 H ATOM 863 2HB GLU 57 -8.078 6.178 -12.710 1.00 0.00 H ATOM 864 1HG GLU 57 -6.666 7.401 -10.837 1.00 0.00 H ATOM 865 2HG GLU 57 -5.410 7.387 -12.075 1.00 0.00 H ATOM 866 N ILE 58 -4.792 3.803 -11.700 1.00 0.00 N ATOM 867 CA ILE 58 -3.353 3.552 -11.406 1.00 0.00 C ATOM 868 C ILE 58 -2.488 4.254 -12.455 1.00 0.00 C ATOM 869 O ILE 58 -2.675 4.083 -13.643 1.00 0.00 O ATOM 870 CB ILE 58 -3.080 2.047 -11.444 1.00 0.00 C ATOM 871 CG1 ILE 58 -4.025 1.335 -10.473 1.00 0.00 C ATOM 872 CG2 ILE 58 -1.631 1.780 -11.033 1.00 0.00 C ATOM 873 CD1 ILE 58 -3.961 2.018 -9.106 1.00 0.00 C ATOM 874 H ILE 58 -5.253 3.271 -12.381 1.00 0.00 H ATOM 875 HA ILE 58 -3.113 3.936 -10.425 1.00 0.00 H ATOM 876 HB ILE 58 -3.244 1.677 -12.446 1.00 0.00 H ATOM 877 1HG1 ILE 58 -5.036 1.382 -10.854 1.00 0.00 H ATOM 878 2HG1 ILE 58 -3.724 0.301 -10.371 1.00 0.00 H ATOM 879 1HG2 ILE 58 -1.449 2.207 -10.058 1.00 0.00 H ATOM 880 2HG2 ILE 58 -1.458 0.714 -10.997 1.00 0.00 H ATOM 881 3HG2 ILE 58 -0.964 2.228 -11.754 1.00 0.00 H ATOM 882 1HD1 ILE 58 -2.931 2.101 -8.792 1.00 0.00 H ATOM 883 2HD1 ILE 58 -4.397 3.004 -9.176 1.00 0.00 H ATOM 884 3HD1 ILE 58 -4.511 1.432 -8.385 1.00 0.00 H ATOM 885 N VAL 59 -1.543 5.045 -12.025 1.00 0.00 N ATOM 886 CA VAL 59 -0.668 5.758 -12.998 1.00 0.00 C ATOM 887 C VAL 59 0.554 4.894 -13.314 1.00 0.00 C ATOM 888 O VAL 59 1.107 4.955 -14.395 1.00 0.00 O ATOM 889 CB VAL 59 -0.211 7.087 -12.394 1.00 0.00 C ATOM 890 CG1 VAL 59 0.450 7.940 -13.478 1.00 0.00 C ATOM 891 CG2 VAL 59 -1.422 7.832 -11.828 1.00 0.00 C ATOM 892 H VAL 59 -1.409 5.171 -11.062 1.00 0.00 H ATOM 893 HA VAL 59 -1.220 5.947 -13.907 1.00 0.00 H ATOM 894 HB VAL 59 0.500 6.897 -11.603 1.00 0.00 H ATOM 895 1HG1 VAL 59 -0.163 7.930 -14.368 1.00 0.00 H ATOM 896 2HG1 VAL 59 0.553 8.955 -13.124 1.00 0.00 H ATOM 897 3HG1 VAL 59 1.426 7.538 -13.708 1.00 0.00 H ATOM 898 1HG2 VAL 59 -1.920 7.208 -11.101 1.00 0.00 H ATOM 899 2HG2 VAL 59 -1.093 8.745 -11.354 1.00 0.00 H ATOM 900 3HG2 VAL 59 -2.106 8.068 -12.629 1.00 0.00 H ATOM 901 N LYS 60 0.981 4.089 -12.380 1.00 0.00 N ATOM 902 CA LYS 60 2.168 3.222 -12.629 1.00 0.00 C ATOM 903 C LYS 60 1.708 1.878 -13.197 1.00 0.00 C ATOM 904 O LYS 60 0.639 1.393 -12.882 1.00 0.00 O ATOM 905 CB LYS 60 2.916 2.992 -11.315 1.00 0.00 C ATOM 906 CG LYS 60 4.414 3.206 -11.536 1.00 0.00 C ATOM 907 CD LYS 60 4.758 4.680 -11.312 1.00 0.00 C ATOM 908 CE LYS 60 4.895 5.383 -12.663 1.00 0.00 C ATOM 909 NZ LYS 60 4.087 6.636 -12.655 1.00 0.00 N ATOM 910 H LYS 60 0.522 4.054 -11.515 1.00 0.00 H ATOM 911 HA LYS 60 2.824 3.706 -13.337 1.00 0.00 H ATOM 912 1HB LYS 60 2.558 3.688 -10.570 1.00 0.00 H ATOM 913 2HB LYS 60 2.745 1.981 -10.975 1.00 0.00 H ATOM 914 1HG LYS 60 4.972 2.595 -10.840 1.00 0.00 H ATOM 915 2HG LYS 60 4.672 2.928 -12.547 1.00 0.00 H ATOM 916 1HD LYS 60 3.972 5.149 -10.738 1.00 0.00 H ATOM 917 2HD LYS 60 5.691 4.754 -10.773 1.00 0.00 H ATOM 918 1HE LYS 60 5.933 5.626 -12.839 1.00 0.00 H ATOM 919 2HE LYS 60 4.540 4.731 -13.447 1.00 0.00 H ATOM 920 1HZ LYS 60 3.381 6.588 -11.895 1.00 0.00 H ATOM 921 2HZ LYS 60 4.712 7.451 -12.494 1.00 0.00 H ATOM 922 3HZ LYS 60 3.606 6.743 -13.572 1.00 0.00 H ATOM 923 N ASN 61 2.506 1.272 -14.033 1.00 0.00 N ATOM 924 CA ASN 61 2.113 -0.040 -14.619 1.00 0.00 C ATOM 925 C ASN 61 3.006 -1.143 -14.047 1.00 0.00 C ATOM 926 O ASN 61 4.109 -0.893 -13.601 1.00 0.00 O ATOM 927 CB ASN 61 2.277 0.012 -16.140 1.00 0.00 C ATOM 928 CG ASN 61 1.101 0.772 -16.755 1.00 0.00 C ATOM 929 OD1 ASN 61 0.264 0.189 -17.414 1.00 0.00 O ATOM 930 ND2 ASN 61 1.002 2.060 -16.566 1.00 0.00 N ATOM 931 H ASN 61 3.364 1.680 -14.274 1.00 0.00 H ATOM 932 HA ASN 61 1.082 -0.249 -14.376 1.00 0.00 H ATOM 933 1HB ASN 61 3.201 0.515 -16.385 1.00 0.00 H ATOM 934 2HB ASN 61 2.299 -0.993 -16.534 1.00 0.00 H ATOM 935 1HD2 ASN 61 0.249 2.557 -16.958 1.00 0.00 H ATOM 936 2HD2 ASN 61 1.681 2.531 -16.032 1.00 0.00 H ATOM 937 N GLU 62 2.540 -2.361 -14.057 1.00 0.00 N ATOM 938 CA GLU 62 3.362 -3.479 -13.513 1.00 0.00 C ATOM 939 C GLU 62 4.665 -3.589 -14.307 1.00 0.00 C ATOM 940 O GLU 62 4.680 -3.459 -15.515 1.00 0.00 O ATOM 941 CB GLU 62 2.583 -4.791 -13.630 1.00 0.00 C ATOM 942 CG GLU 62 1.098 -4.530 -13.375 1.00 0.00 C ATOM 943 CD GLU 62 0.322 -4.675 -14.686 1.00 0.00 C ATOM 944 OE1 GLU 62 0.959 -4.754 -15.723 1.00 0.00 O ATOM 945 OE2 GLU 62 -0.897 -4.705 -14.629 1.00 0.00 O ATOM 946 H GLU 62 1.648 -2.541 -14.421 1.00 0.00 H ATOM 947 HA GLU 62 3.589 -3.287 -12.474 1.00 0.00 H ATOM 948 1HB GLU 62 2.713 -5.199 -14.623 1.00 0.00 H ATOM 949 2HB GLU 62 2.953 -5.496 -12.900 1.00 0.00 H ATOM 950 1HG GLU 62 0.726 -5.242 -12.655 1.00 0.00 H ATOM 951 2HG GLU 62 0.968 -3.527 -12.992 1.00 0.00 H ATOM 952 N GLY 63 5.760 -3.828 -13.639 1.00 0.00 N ATOM 953 CA GLY 63 7.061 -3.948 -14.357 1.00 0.00 C ATOM 954 C GLY 63 7.727 -2.574 -14.449 1.00 0.00 C ATOM 955 O GLY 63 8.758 -2.415 -15.072 1.00 0.00 O ATOM 956 H GLY 63 5.727 -3.931 -12.665 1.00 0.00 H ATOM 957 1HA GLY 63 7.707 -4.628 -13.817 1.00 0.00 H ATOM 958 2HA GLY 63 6.888 -4.328 -15.354 1.00 0.00 H ATOM 959 N ASP 64 7.149 -1.579 -13.834 1.00 0.00 N ATOM 960 CA ASP 64 7.754 -0.219 -13.890 1.00 0.00 C ATOM 961 C ASP 64 8.404 0.103 -12.542 1.00 0.00 C ATOM 962 O ASP 64 8.244 -0.610 -11.572 1.00 0.00 O ATOM 963 CB ASP 64 6.658 0.809 -14.227 1.00 0.00 C ATOM 964 CG ASP 64 6.969 2.175 -13.603 1.00 0.00 C ATOM 965 OD1 ASP 64 6.691 2.344 -12.427 1.00 0.00 O ATOM 966 OD2 ASP 64 7.479 3.027 -14.313 1.00 0.00 O ATOM 967 H ASP 64 6.318 -1.725 -13.336 1.00 0.00 H ATOM 968 HA ASP 64 8.509 -0.199 -14.662 1.00 0.00 H ATOM 969 1HB ASP 64 6.605 0.921 -15.298 1.00 0.00 H ATOM 970 2HB ASP 64 5.707 0.454 -13.855 1.00 0.00 H ATOM 971 N THR 65 9.138 1.177 -12.484 1.00 0.00 N ATOM 972 CA THR 65 9.807 1.560 -11.210 1.00 0.00 C ATOM 973 C THR 65 9.024 2.691 -10.540 1.00 0.00 C ATOM 974 O THR 65 8.334 3.451 -11.191 1.00 0.00 O ATOM 975 CB THR 65 11.234 2.029 -11.508 1.00 0.00 C ATOM 976 OG1 THR 65 11.975 2.087 -10.297 1.00 0.00 O ATOM 977 CG2 THR 65 11.197 3.416 -12.153 1.00 0.00 C ATOM 978 H THR 65 9.248 1.734 -13.284 1.00 0.00 H ATOM 979 HA THR 65 9.840 0.706 -10.550 1.00 0.00 H ATOM 980 HB THR 65 11.705 1.335 -12.186 1.00 0.00 H ATOM 981 HG1 THR 65 12.891 2.268 -10.518 1.00 0.00 H ATOM 982 1HG2 THR 65 10.190 3.637 -12.474 1.00 0.00 H ATOM 983 2HG2 THR 65 11.517 4.156 -11.435 1.00 0.00 H ATOM 984 3HG2 THR 65 11.859 3.433 -13.007 1.00 0.00 H ATOM 985 N VAL 66 9.124 2.810 -9.244 1.00 0.00 N ATOM 986 CA VAL 66 8.385 3.893 -8.536 1.00 0.00 C ATOM 987 C VAL 66 9.341 4.636 -7.602 1.00 0.00 C ATOM 988 O VAL 66 10.103 4.035 -6.871 1.00 0.00 O ATOM 989 CB VAL 66 7.245 3.283 -7.719 1.00 0.00 C ATOM 990 CG1 VAL 66 6.221 2.650 -8.664 1.00 0.00 C ATOM 991 CG2 VAL 66 7.807 2.210 -6.784 1.00 0.00 C ATOM 992 H VAL 66 9.686 2.188 -8.737 1.00 0.00 H ATOM 993 HA VAL 66 7.979 4.585 -9.260 1.00 0.00 H ATOM 994 HB VAL 66 6.766 4.057 -7.137 1.00 0.00 H ATOM 995 1HG1 VAL 66 5.966 3.353 -9.442 1.00 0.00 H ATOM 996 2HG1 VAL 66 6.643 1.759 -9.107 1.00 0.00 H ATOM 997 3HG1 VAL 66 5.332 2.389 -8.108 1.00 0.00 H ATOM 998 1HG2 VAL 66 8.877 2.147 -6.911 1.00 0.00 H ATOM 999 2HG2 VAL 66 7.580 2.470 -5.761 1.00 0.00 H ATOM 1000 3HG2 VAL 66 7.359 1.256 -7.021 1.00 0.00 H ATOM 1001 N LEU 67 9.308 5.941 -7.619 1.00 0.00 N ATOM 1002 CA LEU 67 10.216 6.721 -6.731 1.00 0.00 C ATOM 1003 C LEU 67 9.501 7.028 -5.414 1.00 0.00 C ATOM 1004 O LEU 67 8.313 6.816 -5.277 1.00 0.00 O ATOM 1005 CB LEU 67 10.600 8.032 -7.421 1.00 0.00 C ATOM 1006 CG LEU 67 12.110 8.058 -7.664 1.00 0.00 C ATOM 1007 CD1 LEU 67 12.384 8.170 -9.165 1.00 0.00 C ATOM 1008 CD2 LEU 67 12.721 9.262 -6.944 1.00 0.00 C ATOM 1009 H LEU 67 8.686 6.407 -8.216 1.00 0.00 H ATOM 1010 HA LEU 67 11.107 6.145 -6.532 1.00 0.00 H ATOM 1011 1HB LEU 67 10.081 8.107 -8.365 1.00 0.00 H ATOM 1012 2HB LEU 67 10.325 8.864 -6.791 1.00 0.00 H ATOM 1013 HG LEU 67 12.551 7.147 -7.285 1.00 0.00 H ATOM 1014 1HD1 LEU 67 11.509 7.855 -9.715 1.00 0.00 H ATOM 1015 2HD1 LEU 67 12.614 9.196 -9.413 1.00 0.00 H ATOM 1016 3HD1 LEU 67 13.221 7.540 -9.426 1.00 0.00 H ATOM 1017 1HD2 LEU 67 12.148 9.478 -6.054 1.00 0.00 H ATOM 1018 2HD2 LEU 67 13.741 9.038 -6.670 1.00 0.00 H ATOM 1019 3HD2 LEU 67 12.704 10.120 -7.599 1.00 0.00 H ATOM 1020 N SER 68 10.216 7.527 -4.443 1.00 0.00 N ATOM 1021 CA SER 68 9.577 7.847 -3.135 1.00 0.00 C ATOM 1022 C SER 68 8.462 8.872 -3.350 1.00 0.00 C ATOM 1023 O SER 68 8.574 9.763 -4.168 1.00 0.00 O ATOM 1024 CB SER 68 10.625 8.425 -2.184 1.00 0.00 C ATOM 1025 OG SER 68 10.559 7.739 -0.940 1.00 0.00 O ATOM 1026 H SER 68 11.173 7.691 -4.573 1.00 0.00 H ATOM 1027 HA SER 68 9.161 6.946 -2.708 1.00 0.00 H ATOM 1028 1HB SER 68 11.607 8.299 -2.607 1.00 0.00 H ATOM 1029 2HB SER 68 10.431 9.480 -2.035 1.00 0.00 H ATOM 1030 HG SER 68 9.683 7.873 -0.573 1.00 0.00 H ATOM 1031 N GLY 69 7.385 8.753 -2.622 1.00 0.00 N ATOM 1032 CA GLY 69 6.264 9.721 -2.786 1.00 0.00 C ATOM 1033 C GLY 69 5.620 9.530 -4.161 1.00 0.00 C ATOM 1034 O GLY 69 4.833 10.341 -4.607 1.00 0.00 O ATOM 1035 H GLY 69 7.314 8.027 -1.968 1.00 0.00 H ATOM 1036 1HA GLY 69 5.526 9.551 -2.015 1.00 0.00 H ATOM 1037 2HA GLY 69 6.643 10.728 -2.707 1.00 0.00 H ATOM 1038 N GLU 70 5.949 8.463 -4.836 1.00 0.00 N ATOM 1039 CA GLU 70 5.355 8.221 -6.182 1.00 0.00 C ATOM 1040 C GLU 70 3.873 7.871 -6.030 1.00 0.00 C ATOM 1041 O GLU 70 3.516 6.908 -5.381 1.00 0.00 O ATOM 1042 CB GLU 70 6.086 7.060 -6.860 1.00 0.00 C ATOM 1043 CG GLU 70 5.333 6.652 -8.127 1.00 0.00 C ATOM 1044 CD GLU 70 5.384 7.796 -9.142 1.00 0.00 C ATOM 1045 OE1 GLU 70 4.808 8.835 -8.863 1.00 0.00 O ATOM 1046 OE2 GLU 70 5.998 7.614 -10.180 1.00 0.00 O ATOM 1047 H GLU 70 6.586 7.820 -4.459 1.00 0.00 H ATOM 1048 HA GLU 70 5.456 9.111 -6.785 1.00 0.00 H ATOM 1049 1HB GLU 70 7.089 7.369 -7.119 1.00 0.00 H ATOM 1050 2HB GLU 70 6.132 6.219 -6.184 1.00 0.00 H ATOM 1051 1HG GLU 70 5.794 5.772 -8.552 1.00 0.00 H ATOM 1052 2HG GLU 70 4.304 6.437 -7.882 1.00 0.00 H ATOM 1053 N LEU 71 3.008 8.646 -6.625 1.00 0.00 N ATOM 1054 CA LEU 71 1.550 8.357 -6.514 1.00 0.00 C ATOM 1055 C LEU 71 1.184 7.212 -7.460 1.00 0.00 C ATOM 1056 O LEU 71 1.224 7.354 -8.666 1.00 0.00 O ATOM 1057 CB LEU 71 0.753 9.607 -6.893 1.00 0.00 C ATOM 1058 CG LEU 71 -0.743 9.321 -6.750 1.00 0.00 C ATOM 1059 CD1 LEU 71 -1.479 10.614 -6.396 1.00 0.00 C ATOM 1060 CD2 LEU 71 -1.285 8.773 -8.072 1.00 0.00 C ATOM 1061 H LEU 71 3.317 9.418 -7.144 1.00 0.00 H ATOM 1062 HA LEU 71 1.315 8.074 -5.499 1.00 0.00 H ATOM 1063 1HB LEU 71 1.029 10.422 -6.239 1.00 0.00 H ATOM 1064 2HB LEU 71 0.969 9.876 -7.916 1.00 0.00 H ATOM 1065 HG LEU 71 -0.897 8.593 -5.966 1.00 0.00 H ATOM 1066 1HD1 LEU 71 -1.303 11.351 -7.165 1.00 0.00 H ATOM 1067 2HD1 LEU 71 -2.538 10.417 -6.322 1.00 0.00 H ATOM 1068 3HD1 LEU 71 -1.116 10.988 -5.450 1.00 0.00 H ATOM 1069 1HD2 LEU 71 -0.809 9.284 -8.896 1.00 0.00 H ATOM 1070 2HD2 LEU 71 -1.076 7.715 -8.135 1.00 0.00 H ATOM 1071 3HD2 LEU 71 -2.352 8.932 -8.117 1.00 0.00 H ATOM 1072 N LEU 72 0.828 6.077 -6.923 1.00 0.00 N ATOM 1073 CA LEU 72 0.460 4.925 -7.793 1.00 0.00 C ATOM 1074 C LEU 72 -1.034 4.989 -8.119 1.00 0.00 C ATOM 1075 O LEU 72 -1.494 4.412 -9.084 1.00 0.00 O ATOM 1076 CB LEU 72 0.766 3.615 -7.063 1.00 0.00 C ATOM 1077 CG LEU 72 2.168 3.685 -6.455 1.00 0.00 C ATOM 1078 CD1 LEU 72 2.183 2.936 -5.121 1.00 0.00 C ATOM 1079 CD2 LEU 72 3.171 3.039 -7.412 1.00 0.00 C ATOM 1080 H LEU 72 0.802 5.983 -5.948 1.00 0.00 H ATOM 1081 HA LEU 72 1.030 4.968 -8.709 1.00 0.00 H ATOM 1082 1HB LEU 72 0.039 3.462 -6.279 1.00 0.00 H ATOM 1083 2HB LEU 72 0.721 2.794 -7.763 1.00 0.00 H ATOM 1084 HG LEU 72 2.438 4.718 -6.290 1.00 0.00 H ATOM 1085 1HD1 LEU 72 1.439 2.153 -5.139 1.00 0.00 H ATOM 1086 2HD1 LEU 72 3.159 2.501 -4.964 1.00 0.00 H ATOM 1087 3HD1 LEU 72 1.963 3.624 -4.319 1.00 0.00 H ATOM 1088 1HD2 LEU 72 2.668 2.296 -8.014 1.00 0.00 H ATOM 1089 2HD2 LEU 72 3.595 3.796 -8.055 1.00 0.00 H ATOM 1090 3HD2 LEU 72 3.960 2.568 -6.844 1.00 0.00 H ATOM 1091 N GLY 73 -1.795 5.687 -7.321 1.00 0.00 N ATOM 1092 CA GLY 73 -3.258 5.787 -7.585 1.00 0.00 C ATOM 1093 C GLY 73 -3.941 6.496 -6.414 1.00 0.00 C ATOM 1094 O GLY 73 -3.299 6.929 -5.478 1.00 0.00 O ATOM 1095 H GLY 73 -1.404 6.145 -6.547 1.00 0.00 H ATOM 1096 1HA GLY 73 -3.422 6.351 -8.494 1.00 0.00 H ATOM 1097 2HA GLY 73 -3.674 4.796 -7.693 1.00 0.00 H ATOM 1098 N LYS 74 -5.240 6.618 -6.457 1.00 0.00 N ATOM 1099 CA LYS 74 -5.962 7.298 -5.346 1.00 0.00 C ATOM 1100 C LYS 74 -7.256 6.542 -5.039 1.00 0.00 C ATOM 1101 O LYS 74 -7.813 5.875 -5.889 1.00 0.00 O ATOM 1102 CB LYS 74 -6.296 8.734 -5.758 1.00 0.00 C ATOM 1103 CG LYS 74 -5.090 9.356 -6.465 1.00 0.00 C ATOM 1104 CD LYS 74 -5.185 9.088 -7.969 1.00 0.00 C ATOM 1105 CE LYS 74 -5.637 10.361 -8.687 1.00 0.00 C ATOM 1106 NZ LYS 74 -6.030 10.029 -10.086 1.00 0.00 N ATOM 1107 H LYS 74 -5.740 6.261 -7.221 1.00 0.00 H ATOM 1108 HA LYS 74 -5.336 7.313 -4.466 1.00 0.00 H ATOM 1109 1HB LYS 74 -7.144 8.727 -6.428 1.00 0.00 H ATOM 1110 2HB LYS 74 -6.534 9.314 -4.880 1.00 0.00 H ATOM 1111 1HG LYS 74 -5.080 10.422 -6.288 1.00 0.00 H ATOM 1112 2HG LYS 74 -4.181 8.918 -6.080 1.00 0.00 H ATOM 1113 1HD LYS 74 -4.217 8.786 -8.342 1.00 0.00 H ATOM 1114 2HD LYS 74 -5.902 8.301 -8.150 1.00 0.00 H ATOM 1115 1HE LYS 74 -6.482 10.787 -8.167 1.00 0.00 H ATOM 1116 2HE LYS 74 -4.825 11.073 -8.700 1.00 0.00 H ATOM 1117 1HZ LYS 74 -5.731 9.059 -10.309 1.00 0.00 H ATOM 1118 2HZ LYS 74 -7.063 10.105 -10.182 1.00 0.00 H ATOM 1119 3HZ LYS 74 -5.570 10.691 -10.742 1.00 0.00 H ATOM 1120 N LEU 75 -7.739 6.640 -3.831 1.00 0.00 N ATOM 1121 CA LEU 75 -8.997 5.926 -3.471 1.00 0.00 C ATOM 1122 C LEU 75 -10.186 6.874 -3.638 1.00 0.00 C ATOM 1123 O LEU 75 -10.045 8.080 -3.578 1.00 0.00 O ATOM 1124 CB LEU 75 -8.919 5.456 -2.017 1.00 0.00 C ATOM 1125 CG LEU 75 -9.999 4.404 -1.762 1.00 0.00 C ATOM 1126 CD1 LEU 75 -9.342 3.087 -1.348 1.00 0.00 C ATOM 1127 CD2 LEU 75 -10.924 4.886 -0.642 1.00 0.00 C ATOM 1128 H LEU 75 -7.275 7.183 -3.160 1.00 0.00 H ATOM 1129 HA LEU 75 -9.124 5.072 -4.120 1.00 0.00 H ATOM 1130 1HB LEU 75 -7.945 5.027 -1.830 1.00 0.00 H ATOM 1131 2HB LEU 75 -9.075 6.297 -1.358 1.00 0.00 H ATOM 1132 HG LEU 75 -10.573 4.251 -2.665 1.00 0.00 H ATOM 1133 1HD1 LEU 75 -8.434 3.294 -0.800 1.00 0.00 H ATOM 1134 2HD1 LEU 75 -10.021 2.527 -0.721 1.00 0.00 H ATOM 1135 3HD1 LEU 75 -9.106 2.509 -2.229 1.00 0.00 H ATOM 1136 1HD2 LEU 75 -10.919 5.966 -0.611 1.00 0.00 H ATOM 1137 2HD2 LEU 75 -11.928 4.536 -0.828 1.00 0.00 H ATOM 1138 3HD2 LEU 75 -10.577 4.497 0.304 1.00 0.00 H ATOM 1139 N THR 76 -11.358 6.340 -3.847 1.00 0.00 N ATOM 1140 CA THR 76 -12.555 7.211 -4.017 1.00 0.00 C ATOM 1141 C THR 76 -13.420 7.140 -2.757 1.00 0.00 C ATOM 1142 O THR 76 -13.185 6.339 -1.875 1.00 0.00 O ATOM 1143 CB THR 76 -13.368 6.733 -5.222 1.00 0.00 C ATOM 1144 OG1 THR 76 -12.494 6.501 -6.318 1.00 0.00 O ATOM 1145 CG2 THR 76 -14.396 7.799 -5.603 1.00 0.00 C ATOM 1146 H THR 76 -11.451 5.365 -3.892 1.00 0.00 H ATOM 1147 HA THR 76 -12.237 8.231 -4.179 1.00 0.00 H ATOM 1148 HB THR 76 -13.880 5.817 -4.971 1.00 0.00 H ATOM 1149 HG1 THR 76 -12.070 7.334 -6.541 1.00 0.00 H ATOM 1150 1HG2 THR 76 -14.061 8.763 -5.252 1.00 0.00 H ATOM 1151 2HG2 THR 76 -14.507 7.825 -6.677 1.00 0.00 H ATOM 1152 3HG2 THR 76 -15.346 7.560 -5.148 1.00 0.00 H ATOM 1153 N GLU 77 -14.421 7.973 -2.666 1.00 0.00 N ATOM 1154 CA GLU 77 -15.300 7.952 -1.463 1.00 0.00 C ATOM 1155 C GLU 77 -16.291 6.791 -1.576 1.00 0.00 C ATOM 1156 O GLU 77 -16.766 6.470 -2.646 1.00 0.00 O ATOM 1157 CB GLU 77 -16.069 9.272 -1.370 1.00 0.00 C ATOM 1158 CG GLU 77 -15.128 10.378 -0.890 1.00 0.00 C ATOM 1159 CD GLU 77 -15.893 11.340 0.020 1.00 0.00 C ATOM 1160 OE1 GLU 77 -16.726 10.871 0.779 1.00 0.00 O ATOM 1161 OE2 GLU 77 -15.634 12.530 -0.056 1.00 0.00 O ATOM 1162 H GLU 77 -14.595 8.612 -3.389 1.00 0.00 H ATOM 1163 HA GLU 77 -14.696 7.824 -0.578 1.00 0.00 H ATOM 1164 1HB GLU 77 -16.462 9.529 -2.343 1.00 0.00 H ATOM 1165 2HB GLU 77 -16.883 9.165 -0.669 1.00 0.00 H ATOM 1166 1HG GLU 77 -14.307 9.939 -0.342 1.00 0.00 H ATOM 1167 2HG GLU 77 -14.745 10.920 -1.742 1.00 0.00 H ATOM 1168 N GLY 78 -16.606 6.160 -0.478 1.00 0.00 N ATOM 1169 CA GLY 78 -17.566 5.021 -0.523 1.00 0.00 C ATOM 1170 C GLY 78 -18.935 5.485 -0.022 1.00 0.00 C ATOM 1171 O GLY 78 -19.128 6.638 0.306 1.00 0.00 O ATOM 1172 H GLY 78 -16.212 6.435 0.376 1.00 0.00 H ATOM 1173 1HA GLY 78 -17.654 4.665 -1.540 1.00 0.00 H ATOM 1174 2HA GLY 78 -17.208 4.222 0.108 1.00 0.00 H ATOM 1175 N GLY 79 -19.887 4.595 0.039 1.00 0.00 N ATOM 1176 CA GLY 79 -21.243 4.986 0.519 1.00 0.00 C ATOM 1177 C GLY 79 -21.954 5.800 -0.564 1.00 0.00 C ATOM 1178 O GLY 79 -21.595 5.651 -1.721 1.00 0.00 O ATOM 1179 H GLY 79 -19.711 3.669 -0.231 1.00 0.00 H ATOM 1180 1HA GLY 79 -21.817 4.097 0.738 1.00 0.00 H ATOM 1181 2HA GLY 79 -21.150 5.585 1.411 1.00 0.00 H TER 1182 GLY 79 ENDMDL END