HEADER HYDROLASE INHIBITOR 12-AUG-04 1WO9 TITLE SELECTIVE INHIBITION OF TRYPSINS BY INSECT PEPTIDES: ROLE TITLE 2 OF P6-P10 LOOP COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN INHIBITOR; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HI-1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PEPTIDE IS CHEMICALLY SYNTHESIZED. THE SOURCE 4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN INSECT KEYWDS HYDROLASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR C.KELLENBERGER,G.FERRAT,P.LEONE,H.DARBON,A.ROUSSEL REVDAT 2 24-FEB-09 1WO9 1 VERSN REVDAT 1 07-SEP-04 1WO9 0 JRNL AUTH C.KELLENBERGER,G.FERRAT,P.LEONE,H.DARBON,A.ROUSSEL JRNL TITL SELECTIVE INHIBITION OF TRYPSINS BY INSECT JRNL TITL 2 PEPTIDES: ROLE OF P6-P10 LOOP JRNL REF BIOCHEMISTRY V. 42 13605 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 14622007 JRNL DOI 10.1021/BI035318T REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WO9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-AUG-04. REMARK 100 THE RCSB ID CODE IS RCSB023807. 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 : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO A 6 71.87 -66.48 REMARK 500 ASP A 13 -106.18 71.44 REMARK 500 PRO A 21 47.67 -75.23 REMARK 500 THR A 22 -16.34 -146.83 REMARK 500 ARG A 29 -53.84 -124.70 REMARK 500 ALA A 31 -161.57 128.85 REMARK 500 CYS A 32 -106.01 38.79 REMARK 500 ARG A 33 140.11 -28.15 REMARK 500 THR A 34 -67.55 49.93 REMARK 500 REMARK 500 REMARK: NULL DBREF 1WO9 A 1 35 PDB 1WO9 1WO9 1 35 SEQRES 1 A 35 ALA GLY GLU CYS THR PRO GLY GLN THR LYS LYS GLN ASP SEQRES 2 A 35 CYS ASN THR CYS THR CYS THR PRO THR GLY ILE TRP GLY SEQRES 3 A 35 CYS THR ARG LYS ALA CYS ARG THR THR SHEET 1 A 3 THR A 9 GLN A 12 0 SHEET 2 A 3 ASN A 15 CYS A 19 -1 O CYS A 17 N LYS A 10 SHEET 3 A 3 TRP A 25 GLY A 26 -1 O GLY A 26 N THR A 18 SSBOND 1 CYS A 4 CYS A 19 1555 1555 2.03 SSBOND 2 CYS A 14 CYS A 32 1555 1555 2.03 SSBOND 3 CYS A 17 CYS A 27 1555 1555 2.03 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ALA A 1 13.993 -11.345 8.108 1.00 1.00 N ATOM 2 CA ALA A 1 15.010 -11.250 7.027 1.00 1.00 C ATOM 3 C ALA A 1 14.893 -9.934 6.264 1.00 1.00 C ATOM 4 O ALA A 1 15.878 -9.432 5.724 1.00 1.00 O ATOM 5 CB ALA A 1 14.872 -12.425 6.069 1.00 1.00 C ATOM 6 H1 ALA A 1 13.091 -11.619 7.672 1.00 1.00 H ATOM 7 H2 ALA A 1 13.924 -10.411 8.561 1.00 1.00 H ATOM 8 H3 ALA A 1 14.317 -12.067 8.783 1.00 1.00 H ATOM 9 HA ALA A 1 15.989 -11.303 7.479 1.00 1.00 H ATOM 10 HB1 ALA A 1 14.866 -12.062 5.051 1.00 1.00 H ATOM 11 HB2 ALA A 1 13.948 -12.946 6.270 1.00 1.00 H ATOM 12 HB3 ALA A 1 15.703 -13.100 6.205 1.00 1.00 H ATOM 13 N GLY A 2 13.686 -9.381 6.219 1.00 1.00 N ATOM 14 CA GLY A 2 13.473 -8.131 5.513 1.00 1.00 C ATOM 15 C GLY A 2 12.617 -7.159 6.300 1.00 1.00 C ATOM 16 O GLY A 2 12.192 -7.462 7.415 1.00 1.00 O ATOM 17 H GLY A 2 12.935 -9.825 6.663 1.00 1.00 H ATOM 18 HA2 GLY A 2 14.432 -7.673 5.316 1.00 1.00 H ATOM 19 HA3 GLY A 2 12.987 -8.341 4.572 1.00 1.00 H ATOM 20 N GLU A 3 12.363 -5.990 5.718 1.00 1.00 N ATOM 21 CA GLU A 3 11.553 -4.972 6.369 1.00 1.00 C ATOM 22 C GLU A 3 10.116 -5.449 6.546 1.00 1.00 C ATOM 23 O GLU A 3 9.516 -5.249 7.602 1.00 1.00 O ATOM 24 CB GLU A 3 11.577 -3.678 5.556 1.00 1.00 C ATOM 25 CG GLU A 3 12.347 -2.551 6.228 1.00 1.00 C ATOM 26 CD GLU A 3 11.439 -1.500 6.840 1.00 1.00 C ATOM 27 OE1 GLU A 3 10.741 -0.801 6.076 1.00 1.00 O ATOM 28 OE2 GLU A 3 11.429 -1.376 8.082 1.00 1.00 O ATOM 29 H GLU A 3 12.728 -5.809 4.828 1.00 1.00 H ATOM 30 HA GLU A 3 11.977 -4.782 7.344 1.00 1.00 H ATOM 31 HB2 GLU A 3 12.036 -3.878 4.600 1.00 1.00 H ATOM 32 HB3 GLU A 3 10.563 -3.346 5.395 1.00 1.00 H ATOM 33 HG2 GLU A 3 12.964 -2.968 7.008 1.00 1.00 H ATOM 34 HG3 GLU A 3 12.975 -2.075 5.489 1.00 1.00 H ATOM 35 N CYS A 4 9.561 -6.077 5.508 1.00 1.00 N ATOM 36 CA CYS A 4 8.188 -6.567 5.575 1.00 1.00 C ATOM 37 C CYS A 4 8.045 -7.961 4.965 1.00 1.00 C ATOM 38 O CYS A 4 8.983 -8.504 4.381 1.00 1.00 O ATOM 39 CB CYS A 4 7.233 -5.586 4.881 1.00 1.00 C ATOM 40 SG CYS A 4 7.333 -5.561 3.068 1.00 1.00 S ATOM 41 H CYS A 4 10.081 -6.208 4.688 1.00 1.00 H ATOM 42 HA CYS A 4 7.918 -6.625 6.619 1.00 1.00 H ATOM 43 HB2 CYS A 4 6.219 -5.846 5.134 1.00 1.00 H ATOM 44 HB3 CYS A 4 7.440 -4.593 5.230 1.00 1.00 H ATOM 45 N THR A 5 6.846 -8.521 5.109 1.00 1.00 N ATOM 46 CA THR A 5 6.522 -9.842 4.586 1.00 1.00 C ATOM 47 C THR A 5 5.437 -9.718 3.520 1.00 1.00 C ATOM 48 O THR A 5 4.430 -9.054 3.743 1.00 1.00 O ATOM 49 CB THR A 5 6.038 -10.764 5.708 1.00 1.00 C ATOM 50 OG1 THR A 5 7.082 -11.024 6.630 1.00 1.00 O ATOM 51 CG2 THR A 5 5.523 -12.104 5.214 1.00 1.00 C ATOM 52 H THR A 5 6.155 -8.023 5.577 1.00 1.00 H ATOM 53 HA THR A 5 7.411 -10.247 4.147 1.00 1.00 H ATOM 54 HB THR A 5 5.228 -10.275 6.231 1.00 1.00 H ATOM 55 HG1 THR A 5 7.723 -11.614 6.226 1.00 1.00 H ATOM 56 HG21 THR A 5 5.009 -11.974 4.273 1.00 1.00 H ATOM 57 HG22 THR A 5 4.836 -12.515 5.940 1.00 1.00 H ATOM 58 HG23 THR A 5 6.353 -12.783 5.083 1.00 1.00 H ATOM 59 N PRO A 6 5.629 -10.333 2.340 1.00 1.00 N ATOM 60 CA PRO A 6 4.657 -10.245 1.250 1.00 1.00 C ATOM 61 C PRO A 6 3.360 -10.926 1.580 1.00 1.00 C ATOM 62 O PRO A 6 3.020 -11.981 1.041 1.00 1.00 O ATOM 63 CB PRO A 6 5.352 -10.933 0.075 1.00 1.00 C ATOM 64 CG PRO A 6 6.351 -11.840 0.715 1.00 1.00 C ATOM 65 CD PRO A 6 6.803 -11.139 1.965 1.00 1.00 C ATOM 66 HA PRO A 6 4.434 -9.214 1.017 1.00 1.00 H ATOM 67 HB2 PRO A 6 4.623 -11.486 -0.504 1.00 1.00 H ATOM 68 HB3 PRO A 6 5.828 -10.194 -0.550 1.00 1.00 H ATOM 69 HG2 PRO A 6 5.886 -12.782 0.961 1.00 1.00 H ATOM 70 HG3 PRO A 6 7.188 -11.996 0.053 1.00 1.00 H ATOM 71 HD2 PRO A 6 7.038 -11.861 2.735 1.00 1.00 H ATOM 72 HD3 PRO A 6 7.655 -10.510 1.758 1.00 1.00 H ATOM 73 N GLY A 7 2.644 -10.282 2.466 1.00 1.00 N ATOM 74 CA GLY A 7 1.362 -10.771 2.898 1.00 1.00 C ATOM 75 C GLY A 7 0.619 -9.783 3.774 1.00 1.00 C ATOM 76 O GLY A 7 -0.461 -10.103 4.264 1.00 1.00 O ATOM 77 H GLY A 7 2.998 -9.445 2.819 1.00 1.00 H ATOM 78 HA2 GLY A 7 0.759 -10.982 2.026 1.00 1.00 H ATOM 79 HA3 GLY A 7 1.505 -11.688 3.451 1.00 1.00 H ATOM 80 N GLN A 8 1.185 -8.586 4.004 1.00 1.00 N ATOM 81 CA GLN A 8 0.523 -7.625 4.848 1.00 1.00 C ATOM 82 C GLN A 8 0.083 -6.400 4.064 1.00 1.00 C ATOM 83 O GLN A 8 0.881 -5.773 3.377 1.00 1.00 O ATOM 84 CB GLN A 8 1.433 -7.219 6.013 1.00 1.00 C ATOM 85 CG GLN A 8 2.115 -8.399 6.689 1.00 1.00 C ATOM 86 CD GLN A 8 3.538 -8.090 7.109 1.00 1.00 C ATOM 87 OE1 GLN A 8 4.242 -7.329 6.445 1.00 1.00 O ATOM 88 NE2 GLN A 8 3.967 -8.679 8.218 1.00 1.00 N ATOM 89 H GLN A 8 2.057 -8.352 3.617 1.00 1.00 H ATOM 90 HA GLN A 8 -0.342 -8.107 5.243 1.00 1.00 H ATOM 91 HB2 GLN A 8 2.199 -6.550 5.648 1.00 1.00 H ATOM 92 HB3 GLN A 8 0.842 -6.704 6.755 1.00 1.00 H ATOM 93 HG2 GLN A 8 1.549 -8.669 7.569 1.00 1.00 H ATOM 94 HG3 GLN A 8 2.131 -9.234 6.003 1.00 1.00 H ATOM 95 HE21 GLN A 8 3.349 -9.272 8.695 1.00 1.00 H ATOM 96 HE22 GLN A 8 4.882 -8.498 8.514 1.00 1.00 H ATOM 97 N THR A 9 -1.196 -6.068 4.182 1.00 1.00 N ATOM 98 CA THR A 9 -1.751 -4.918 3.511 1.00 1.00 C ATOM 99 C THR A 9 -1.960 -3.794 4.521 1.00 1.00 C ATOM 100 O THR A 9 -2.338 -4.048 5.664 1.00 1.00 O ATOM 101 CB THR A 9 -3.075 -5.288 2.851 1.00 1.00 C ATOM 102 OG1 THR A 9 -4.101 -5.419 3.819 1.00 1.00 O ATOM 103 CG2 THR A 9 -3.021 -6.577 2.058 1.00 1.00 C ATOM 104 H THR A 9 -1.782 -6.607 4.742 1.00 1.00 H ATOM 105 HA THR A 9 -1.053 -4.599 2.757 1.00 1.00 H ATOM 106 HB THR A 9 -3.347 -4.501 2.180 1.00 1.00 H ATOM 107 HG1 THR A 9 -4.506 -4.563 3.971 1.00 1.00 H ATOM 108 HG21 THR A 9 -2.852 -6.353 1.015 1.00 1.00 H ATOM 109 HG22 THR A 9 -3.959 -7.102 2.165 1.00 1.00 H ATOM 110 HG23 THR A 9 -2.218 -7.196 2.428 1.00 1.00 H ATOM 111 N LYS A 10 -1.712 -2.559 4.107 1.00 1.00 N ATOM 112 CA LYS A 10 -1.877 -1.419 4.998 1.00 1.00 C ATOM 113 C LYS A 10 -2.859 -0.409 4.407 1.00 1.00 C ATOM 114 O LYS A 10 -2.949 -0.264 3.188 1.00 1.00 O ATOM 115 CB LYS A 10 -0.526 -0.751 5.267 1.00 1.00 C ATOM 116 CG LYS A 10 0.025 0.011 4.075 1.00 1.00 C ATOM 117 CD LYS A 10 1.505 0.311 4.240 1.00 1.00 C ATOM 118 CE LYS A 10 1.730 1.724 4.750 1.00 1.00 C ATOM 119 NZ LYS A 10 0.856 2.036 5.914 1.00 1.00 N ATOM 120 H LYS A 10 -1.413 -2.410 3.189 1.00 1.00 H ATOM 121 HA LYS A 10 -2.270 -1.790 5.929 1.00 1.00 H ATOM 122 HB2 LYS A 10 -0.636 -0.060 6.090 1.00 1.00 H ATOM 123 HB3 LYS A 10 0.190 -1.512 5.542 1.00 1.00 H ATOM 124 HG2 LYS A 10 -0.114 -0.585 3.187 1.00 1.00 H ATOM 125 HG3 LYS A 10 -0.514 0.941 3.975 1.00 1.00 H ATOM 126 HD2 LYS A 10 1.928 -0.388 4.945 1.00 1.00 H ATOM 127 HD3 LYS A 10 1.993 0.201 3.283 1.00 1.00 H ATOM 128 HE2 LYS A 10 2.763 1.826 5.048 1.00 1.00 H ATOM 129 HE3 LYS A 10 1.515 2.420 3.952 1.00 1.00 H ATOM 130 HZ1 LYS A 10 -0.144 1.982 5.634 1.00 1.00 H ATOM 131 HZ2 LYS A 10 1.055 2.994 6.266 1.00 1.00 H ATOM 132 HZ3 LYS A 10 1.027 1.355 6.681 1.00 1.00 H ATOM 133 N LYS A 11 -3.591 0.287 5.272 1.00 1.00 N ATOM 134 CA LYS A 11 -4.559 1.281 4.819 1.00 1.00 C ATOM 135 C LYS A 11 -3.995 2.692 4.957 1.00 1.00 C ATOM 136 O LYS A 11 -3.925 3.243 6.055 1.00 1.00 O ATOM 137 CB LYS A 11 -5.877 1.154 5.590 1.00 1.00 C ATOM 138 CG LYS A 11 -5.724 1.209 7.103 1.00 1.00 C ATOM 139 CD LYS A 11 -6.138 2.564 7.657 1.00 1.00 C ATOM 140 CE LYS A 11 -5.144 3.076 8.688 1.00 1.00 C ATOM 141 NZ LYS A 11 -4.717 4.473 8.401 1.00 1.00 N ATOM 142 H LYS A 11 -3.478 0.130 6.232 1.00 1.00 H ATOM 143 HA LYS A 11 -4.750 1.093 3.773 1.00 1.00 H ATOM 144 HB2 LYS A 11 -6.534 1.957 5.290 1.00 1.00 H ATOM 145 HB3 LYS A 11 -6.339 0.212 5.332 1.00 1.00 H ATOM 146 HG2 LYS A 11 -6.348 0.446 7.545 1.00 1.00 H ATOM 147 HG3 LYS A 11 -4.692 1.024 7.360 1.00 1.00 H ATOM 148 HD2 LYS A 11 -6.193 3.272 6.844 1.00 1.00 H ATOM 149 HD3 LYS A 11 -7.108 2.470 8.121 1.00 1.00 H ATOM 150 HE2 LYS A 11 -5.607 3.045 9.663 1.00 1.00 H ATOM 151 HE3 LYS A 11 -4.274 2.435 8.683 1.00 1.00 H ATOM 152 HZ1 LYS A 11 -5.539 5.051 8.133 1.00 1.00 H ATOM 153 HZ2 LYS A 11 -4.030 4.484 7.621 1.00 1.00 H ATOM 154 HZ3 LYS A 11 -4.273 4.891 9.244 1.00 1.00 H ATOM 155 N GLN A 12 -3.608 3.271 3.825 1.00 1.00 N ATOM 156 CA GLN A 12 -3.061 4.616 3.790 1.00 1.00 C ATOM 157 C GLN A 12 -4.055 5.542 3.111 1.00 1.00 C ATOM 158 O GLN A 12 -4.353 5.388 1.927 1.00 1.00 O ATOM 159 CB GLN A 12 -1.724 4.635 3.044 1.00 1.00 C ATOM 160 CG GLN A 12 -0.898 5.885 3.302 1.00 1.00 C ATOM 161 CD GLN A 12 0.151 5.681 4.379 1.00 1.00 C ATOM 162 OE1 GLN A 12 -0.088 5.956 5.555 1.00 1.00 O ATOM 163 NE2 GLN A 12 1.323 5.197 3.983 1.00 1.00 N ATOM 164 H GLN A 12 -3.708 2.784 2.985 1.00 1.00 H ATOM 165 HA GLN A 12 -2.909 4.946 4.807 1.00 1.00 H ATOM 166 HB2 GLN A 12 -1.144 3.778 3.348 1.00 1.00 H ATOM 167 HB3 GLN A 12 -1.917 4.570 1.983 1.00 1.00 H ATOM 168 HG2 GLN A 12 -0.400 6.168 2.386 1.00 1.00 H ATOM 169 HG3 GLN A 12 -1.560 6.681 3.611 1.00 1.00 H ATOM 170 HE21 GLN A 12 1.445 5.000 3.030 1.00 1.00 H ATOM 171 HE22 GLN A 12 2.020 5.059 4.658 1.00 1.00 H ATOM 172 N ASP A 13 -4.592 6.477 3.880 1.00 1.00 N ATOM 173 CA ASP A 13 -5.587 7.411 3.372 1.00 1.00 C ATOM 174 C ASP A 13 -6.901 6.667 3.142 1.00 1.00 C ATOM 175 O ASP A 13 -7.588 6.310 4.098 1.00 1.00 O ATOM 176 CB ASP A 13 -5.085 8.096 2.092 1.00 1.00 C ATOM 177 CG ASP A 13 -6.101 9.057 1.508 1.00 1.00 C ATOM 178 OD1 ASP A 13 -6.444 10.046 2.188 1.00 1.00 O ATOM 179 OD2 ASP A 13 -6.555 8.819 0.369 1.00 1.00 O ATOM 180 H ASP A 13 -4.330 6.521 4.818 1.00 1.00 H ATOM 181 HA ASP A 13 -5.752 8.159 4.125 1.00 1.00 H ATOM 182 HB2 ASP A 13 -4.186 8.649 2.319 1.00 1.00 H ATOM 183 HB3 ASP A 13 -4.859 7.345 1.351 1.00 1.00 H ATOM 184 N CYS A 14 -7.241 6.415 1.889 1.00 1.00 N ATOM 185 CA CYS A 14 -8.453 5.693 1.564 1.00 1.00 C ATOM 186 C CYS A 14 -8.122 4.424 0.785 1.00 1.00 C ATOM 187 O CYS A 14 -8.899 3.469 0.769 1.00 1.00 O ATOM 188 CB CYS A 14 -9.383 6.584 0.753 1.00 1.00 C ATOM 189 SG CYS A 14 -11.151 6.252 1.009 1.00 1.00 S ATOM 190 H CYS A 14 -6.662 6.709 1.167 1.00 1.00 H ATOM 191 HA CYS A 14 -8.935 5.421 2.487 1.00 1.00 H ATOM 192 HB2 CYS A 14 -9.203 7.614 1.020 1.00 1.00 H ATOM 193 HB3 CYS A 14 -9.170 6.449 -0.297 1.00 1.00 H ATOM 194 N ASN A 15 -6.962 4.436 0.132 1.00 1.00 N ATOM 195 CA ASN A 15 -6.490 3.331 -0.662 1.00 1.00 C ATOM 196 C ASN A 15 -5.864 2.251 0.196 1.00 1.00 C ATOM 197 O ASN A 15 -5.685 2.408 1.408 1.00 1.00 O ATOM 198 CB ASN A 15 -5.438 3.834 -1.638 1.00 1.00 C ATOM 199 CG ASN A 15 -5.744 5.215 -2.188 1.00 1.00 C ATOM 200 OD1 ASN A 15 -6.657 5.899 -1.725 1.00 1.00 O ATOM 201 ND2 ASN A 15 -4.983 5.634 -3.183 1.00 1.00 N ATOM 202 H ASN A 15 -6.400 5.224 0.173 1.00 1.00 H ATOM 203 HA ASN A 15 -7.318 2.916 -1.214 1.00 1.00 H ATOM 204 HB2 ASN A 15 -4.488 3.867 -1.134 1.00 1.00 H ATOM 205 HB3 ASN A 15 -5.370 3.156 -2.451 1.00 1.00 H ATOM 206 HD21 ASN A 15 -4.274 5.042 -3.508 1.00 1.00 H ATOM 207 HD22 ASN A 15 -5.162 6.519 -3.552 1.00 1.00 H ATOM 208 N THR A 16 -5.508 1.167 -0.468 1.00 1.00 N ATOM 209 CA THR A 16 -4.872 0.038 0.174 1.00 1.00 C ATOM 210 C THR A 16 -3.496 -0.197 -0.421 1.00 1.00 C ATOM 211 O THR A 16 -3.249 0.086 -1.593 1.00 1.00 O ATOM 212 CB THR A 16 -5.733 -1.211 0.022 1.00 1.00 C ATOM 213 OG1 THR A 16 -5.233 -2.274 0.813 1.00 1.00 O ATOM 214 CG2 THR A 16 -5.837 -1.710 -1.404 1.00 1.00 C ATOM 215 H THR A 16 -5.666 1.136 -1.431 1.00 1.00 H ATOM 216 HA THR A 16 -4.762 0.266 1.224 1.00 1.00 H ATOM 217 HB THR A 16 -6.726 -0.977 0.359 1.00 1.00 H ATOM 218 HG1 THR A 16 -5.838 -3.018 0.768 1.00 1.00 H ATOM 219 HG21 THR A 16 -6.066 -2.766 -1.400 1.00 1.00 H ATOM 220 HG22 THR A 16 -4.900 -1.547 -1.916 1.00 1.00 H ATOM 221 HG23 THR A 16 -6.624 -1.175 -1.914 1.00 1.00 H ATOM 222 N CYS A 17 -2.612 -0.711 0.400 1.00 1.00 N ATOM 223 CA CYS A 17 -1.248 -0.992 -0.013 1.00 1.00 C ATOM 224 C CYS A 17 -0.871 -2.390 0.432 1.00 1.00 C ATOM 225 O CYS A 17 -1.435 -2.889 1.405 1.00 1.00 O ATOM 226 CB CYS A 17 -0.288 0.032 0.611 1.00 1.00 C ATOM 227 SG CYS A 17 -1.100 1.475 1.379 1.00 1.00 S ATOM 228 H CYS A 17 -2.883 -0.909 1.321 1.00 1.00 H ATOM 229 HA CYS A 17 -1.194 -0.930 -1.089 1.00 1.00 H ATOM 230 HB2 CYS A 17 0.295 -0.449 1.377 1.00 1.00 H ATOM 231 HB3 CYS A 17 0.373 0.400 -0.150 1.00 1.00 H ATOM 232 N THR A 18 0.092 -3.029 -0.236 1.00 1.00 N ATOM 233 CA THR A 18 0.487 -4.367 0.218 1.00 1.00 C ATOM 234 C THR A 18 1.991 -4.444 0.412 1.00 1.00 C ATOM 235 O THR A 18 2.722 -3.774 -0.322 1.00 1.00 O ATOM 236 CB THR A 18 0.042 -5.423 -0.802 1.00 1.00 C ATOM 237 OG1 THR A 18 -0.849 -4.864 -1.753 1.00 1.00 O ATOM 238 CG2 THR A 18 -0.650 -6.612 -0.171 1.00 1.00 C ATOM 239 H THR A 18 0.548 -2.600 -0.992 1.00 1.00 H ATOM 240 HA THR A 18 0.001 -4.560 1.161 1.00 1.00 H ATOM 241 HB THR A 18 0.911 -5.790 -1.330 1.00 1.00 H ATOM 242 HG1 THR A 18 -1.550 -4.392 -1.297 1.00 1.00 H ATOM 243 HG21 THR A 18 -1.609 -6.765 -0.645 1.00 1.00 H ATOM 244 HG22 THR A 18 -0.795 -6.426 0.881 1.00 1.00 H ATOM 245 HG23 THR A 18 -0.041 -7.496 -0.300 1.00 1.00 H ATOM 246 N CYS A 19 2.492 -5.282 1.305 1.00 1.00 N ATOM 247 CA CYS A 19 3.939 -5.409 1.409 1.00 1.00 C ATOM 248 C CYS A 19 4.421 -6.174 0.178 1.00 1.00 C ATOM 249 O CYS A 19 3.713 -7.067 -0.288 1.00 1.00 O ATOM 250 CB CYS A 19 4.344 -6.200 2.655 1.00 1.00 C ATOM 251 SG CYS A 19 5.998 -6.986 2.525 1.00 1.00 S ATOM 252 H CYS A 19 1.906 -5.850 1.852 1.00 1.00 H ATOM 253 HA CYS A 19 4.370 -4.412 1.422 1.00 1.00 H ATOM 254 HB2 CYS A 19 4.333 -5.558 3.511 1.00 1.00 H ATOM 255 HB3 CYS A 19 3.626 -6.991 2.810 1.00 1.00 H ATOM 256 N THR A 20 5.615 -5.875 -0.345 1.00 1.00 N ATOM 257 CA THR A 20 6.094 -6.618 -1.495 1.00 1.00 C ATOM 258 C THR A 20 7.045 -7.708 -1.030 1.00 1.00 C ATOM 259 O THR A 20 7.685 -7.565 0.012 1.00 1.00 O ATOM 260 CB THR A 20 6.791 -5.685 -2.474 1.00 1.00 C ATOM 261 OG1 THR A 20 7.981 -5.169 -1.906 1.00 1.00 O ATOM 262 CG2 THR A 20 5.927 -4.515 -2.892 1.00 1.00 C ATOM 263 H THR A 20 6.194 -5.166 0.049 1.00 1.00 H ATOM 264 HA THR A 20 5.242 -7.073 -1.978 1.00 1.00 H ATOM 265 HB THR A 20 7.050 -6.242 -3.362 1.00 1.00 H ATOM 266 HG1 THR A 20 7.772 -4.710 -1.089 1.00 1.00 H ATOM 267 HG21 THR A 20 5.616 -3.966 -2.015 1.00 1.00 H ATOM 268 HG22 THR A 20 5.055 -4.881 -3.415 1.00 1.00 H ATOM 269 HG23 THR A 20 6.491 -3.865 -3.542 1.00 1.00 H ATOM 270 N PRO A 21 7.168 -8.813 -1.788 1.00 1.00 N ATOM 271 CA PRO A 21 8.069 -9.902 -1.424 1.00 1.00 C ATOM 272 C PRO A 21 9.518 -9.528 -1.701 1.00 1.00 C ATOM 273 O PRO A 21 10.268 -10.291 -2.308 1.00 1.00 O ATOM 274 CB PRO A 21 7.637 -11.078 -2.313 1.00 1.00 C ATOM 275 CG PRO A 21 6.534 -10.575 -3.195 1.00 1.00 C ATOM 276 CD PRO A 21 6.457 -9.076 -3.041 1.00 1.00 C ATOM 277 HA PRO A 21 7.964 -10.166 -0.381 1.00 1.00 H ATOM 278 HB2 PRO A 21 8.479 -11.409 -2.899 1.00 1.00 H ATOM 279 HB3 PRO A 21 7.295 -11.889 -1.691 1.00 1.00 H ATOM 280 HG2 PRO A 21 6.756 -10.824 -4.222 1.00 1.00 H ATOM 281 HG3 PRO A 21 5.598 -11.028 -2.899 1.00 1.00 H ATOM 282 HD2 PRO A 21 6.945 -8.585 -3.869 1.00 1.00 H ATOM 283 HD3 PRO A 21 5.426 -8.760 -2.971 1.00 1.00 H ATOM 284 N THR A 22 9.899 -8.336 -1.261 1.00 1.00 N ATOM 285 CA THR A 22 11.252 -7.835 -1.468 1.00 1.00 C ATOM 286 C THR A 22 11.704 -6.958 -0.302 1.00 1.00 C ATOM 287 O THR A 22 12.897 -6.695 -0.145 1.00 1.00 O ATOM 288 CB THR A 22 11.315 -7.041 -2.776 1.00 1.00 C ATOM 289 OG1 THR A 22 11.084 -7.890 -3.883 1.00 1.00 O ATOM 290 CG2 THR A 22 12.640 -6.341 -3.008 1.00 1.00 C ATOM 291 H THR A 22 9.249 -7.776 -0.791 1.00 1.00 H ATOM 292 HA THR A 22 11.912 -8.683 -1.541 1.00 1.00 H ATOM 293 HB THR A 22 10.541 -6.287 -2.763 1.00 1.00 H ATOM 294 HG1 THR A 22 10.303 -8.422 -3.720 1.00 1.00 H ATOM 295 HG21 THR A 22 13.426 -7.075 -3.098 1.00 1.00 H ATOM 296 HG22 THR A 22 12.853 -5.685 -2.176 1.00 1.00 H ATOM 297 HG23 THR A 22 12.585 -5.759 -3.917 1.00 1.00 H ATOM 298 N GLY A 23 10.752 -6.508 0.517 1.00 1.00 N ATOM 299 CA GLY A 23 11.085 -5.681 1.638 1.00 1.00 C ATOM 300 C GLY A 23 10.669 -4.231 1.458 1.00 1.00 C ATOM 301 O GLY A 23 10.981 -3.398 2.310 1.00 1.00 O ATOM 302 H GLY A 23 9.826 -6.741 0.364 1.00 1.00 H ATOM 303 HA2 GLY A 23 10.597 -6.079 2.515 1.00 1.00 H ATOM 304 HA3 GLY A 23 12.147 -5.724 1.785 1.00 1.00 H ATOM 305 N ILE A 24 9.949 -3.909 0.373 1.00 1.00 N ATOM 306 CA ILE A 24 9.511 -2.554 0.168 1.00 1.00 C ATOM 307 C ILE A 24 8.016 -2.448 0.295 1.00 1.00 C ATOM 308 O ILE A 24 7.242 -3.126 -0.392 1.00 1.00 O ATOM 309 CB ILE A 24 9.951 -1.947 -1.155 1.00 1.00 C ATOM 310 CG1 ILE A 24 9.292 -2.640 -2.363 1.00 1.00 C ATOM 311 CG2 ILE A 24 11.474 -1.945 -1.265 1.00 1.00 C ATOM 312 CD1 ILE A 24 10.068 -3.819 -2.908 1.00 1.00 C ATOM 313 H ILE A 24 9.691 -4.587 -0.277 1.00 1.00 H ATOM 314 HA ILE A 24 9.949 -1.962 0.957 1.00 1.00 H ATOM 315 HB ILE A 24 9.620 -0.935 -1.113 1.00 1.00 H ATOM 316 HG12 ILE A 24 8.318 -2.996 -2.079 1.00 1.00 H ATOM 317 HG13 ILE A 24 9.181 -1.920 -3.163 1.00 1.00 H ATOM 318 HG21 ILE A 24 11.764 -1.885 -2.303 1.00 1.00 H ATOM 319 HG22 ILE A 24 11.868 -2.854 -0.834 1.00 1.00 H ATOM 320 HG23 ILE A 24 11.874 -1.094 -0.730 1.00 1.00 H ATOM 321 HD11 ILE A 24 9.406 -4.445 -3.489 1.00 1.00 H ATOM 322 HD12 ILE A 24 10.474 -4.391 -2.089 1.00 1.00 H ATOM 323 HD13 ILE A 24 10.871 -3.463 -3.536 1.00 1.00 H ATOM 324 N TRP A 25 7.629 -1.645 1.244 1.00 1.00 N ATOM 325 CA TRP A 25 6.246 -1.450 1.556 1.00 1.00 C ATOM 326 C TRP A 25 5.721 -0.325 0.651 1.00 1.00 C ATOM 327 O TRP A 25 6.181 0.816 0.743 1.00 1.00 O ATOM 328 CB TRP A 25 6.117 -1.090 3.027 1.00 1.00 C ATOM 329 CG TRP A 25 5.099 -1.914 3.719 1.00 1.00 C ATOM 330 CD1 TRP A 25 5.233 -2.581 4.894 1.00 1.00 C ATOM 331 CD2 TRP A 25 3.789 -2.171 3.253 1.00 1.00 C ATOM 332 NE1 TRP A 25 4.058 -3.238 5.194 1.00 1.00 N ATOM 333 CE2 TRP A 25 3.159 -2.998 4.190 1.00 1.00 C ATOM 334 CE3 TRP A 25 3.088 -1.772 2.126 1.00 1.00 C ATOM 335 CZ2 TRP A 25 1.851 -3.438 4.023 1.00 1.00 C ATOM 336 CZ3 TRP A 25 1.802 -2.204 1.963 1.00 1.00 C ATOM 337 CH2 TRP A 25 1.189 -3.034 2.903 1.00 1.00 C ATOM 338 H TRP A 25 8.310 -1.180 1.771 1.00 1.00 H ATOM 339 HA TRP A 25 5.711 -2.365 1.351 1.00 1.00 H ATOM 340 HB2 TRP A 25 7.063 -1.263 3.505 1.00 1.00 H ATOM 341 HB3 TRP A 25 5.848 -0.051 3.129 1.00 1.00 H ATOM 342 HD1 TRP A 25 6.134 -2.581 5.487 1.00 1.00 H ATOM 343 HE1 TRP A 25 3.890 -3.786 5.993 1.00 1.00 H ATOM 344 HE3 TRP A 25 3.538 -1.133 1.388 1.00 1.00 H ATOM 345 HZ2 TRP A 25 1.368 -4.084 4.729 1.00 1.00 H ATOM 346 HZ3 TRP A 25 1.261 -1.915 1.089 1.00 1.00 H ATOM 347 HH2 TRP A 25 0.174 -3.351 2.730 1.00 1.00 H ATOM 348 N GLY A 26 4.804 -0.660 -0.261 1.00 1.00 N ATOM 349 CA GLY A 26 4.293 0.340 -1.210 1.00 1.00 C ATOM 350 C GLY A 26 2.780 0.519 -1.219 1.00 1.00 C ATOM 351 O GLY A 26 2.045 -0.341 -0.739 1.00 1.00 O ATOM 352 H GLY A 26 4.502 -1.591 -0.312 1.00 1.00 H ATOM 353 HA2 GLY A 26 4.739 1.294 -0.981 1.00 1.00 H ATOM 354 HA3 GLY A 26 4.608 0.049 -2.199 1.00 1.00 H ATOM 355 N CYS A 27 2.335 1.665 -1.776 1.00 1.00 N ATOM 356 CA CYS A 27 0.905 2.017 -1.861 1.00 1.00 C ATOM 357 C CYS A 27 0.555 2.734 -3.179 1.00 1.00 C ATOM 358 O CYS A 27 1.436 3.049 -3.981 1.00 1.00 O ATOM 359 CB CYS A 27 0.548 2.936 -0.690 1.00 1.00 C ATOM 360 SG CYS A 27 -1.182 2.825 -0.130 1.00 1.00 S ATOM 361 H CYS A 27 2.996 2.296 -2.128 1.00 1.00 H ATOM 362 HA CYS A 27 0.327 1.110 -1.791 1.00 1.00 H ATOM 363 HB2 CYS A 27 1.178 2.693 0.151 1.00 1.00 H ATOM 364 HB3 CYS A 27 0.733 3.961 -0.983 1.00 1.00 H ATOM 365 N THR A 28 -0.748 3.006 -3.373 1.00 1.00 N ATOM 366 CA THR A 28 -1.243 3.708 -4.562 1.00 1.00 C ATOM 367 C THR A 28 -1.758 5.096 -4.168 1.00 1.00 C ATOM 368 O THR A 28 -1.672 5.480 -3.001 1.00 1.00 O ATOM 369 CB THR A 28 -2.348 2.893 -5.245 1.00 1.00 C ATOM 370 OG1 THR A 28 -3.014 3.670 -6.223 1.00 1.00 O ATOM 371 CG2 THR A 28 -3.397 2.365 -4.289 1.00 1.00 C ATOM 372 H THR A 28 -1.396 2.741 -2.687 1.00 1.00 H ATOM 373 HA THR A 28 -0.419 3.832 -5.248 1.00 1.00 H ATOM 374 HB THR A 28 -1.897 2.045 -5.739 1.00 1.00 H ATOM 375 HG1 THR A 28 -2.772 3.359 -7.098 1.00 1.00 H ATOM 376 HG21 THR A 28 -4.042 1.673 -4.811 1.00 1.00 H ATOM 377 HG22 THR A 28 -3.985 3.186 -3.910 1.00 1.00 H ATOM 378 HG23 THR A 28 -2.916 1.856 -3.467 1.00 1.00 H ATOM 379 N ARG A 29 -2.268 5.864 -5.135 1.00 1.00 N ATOM 380 CA ARG A 29 -2.749 7.220 -4.834 1.00 1.00 C ATOM 381 C ARG A 29 -4.186 7.483 -5.244 1.00 1.00 C ATOM 382 O ARG A 29 -5.004 7.942 -4.447 1.00 1.00 O ATOM 383 CB ARG A 29 -1.833 8.273 -5.464 1.00 1.00 C ATOM 384 CG ARG A 29 -1.210 7.853 -6.789 1.00 1.00 C ATOM 385 CD ARG A 29 -0.343 8.957 -7.391 1.00 1.00 C ATOM 386 NE ARG A 29 -0.727 10.301 -6.935 1.00 1.00 N ATOM 387 CZ ARG A 29 -0.777 11.374 -7.729 1.00 1.00 C ATOM 388 NH1 ARG A 29 -0.499 11.271 -9.024 1.00 1.00 N ATOM 389 NH2 ARG A 29 -1.104 12.562 -7.229 1.00 1.00 N ATOM 390 H ARG A 29 -2.295 5.529 -6.054 1.00 1.00 H ATOM 391 HA ARG A 29 -2.709 7.331 -3.797 1.00 1.00 H ATOM 392 HB2 ARG A 29 -2.407 9.172 -5.635 1.00 1.00 H ATOM 393 HB3 ARG A 29 -1.035 8.496 -4.772 1.00 1.00 H ATOM 394 HG2 ARG A 29 -0.595 6.981 -6.622 1.00 1.00 H ATOM 395 HG3 ARG A 29 -1.999 7.609 -7.484 1.00 1.00 H ATOM 396 HD2 ARG A 29 0.685 8.779 -7.112 1.00 1.00 H ATOM 397 HD3 ARG A 29 -0.432 8.913 -8.466 1.00 1.00 H ATOM 398 HE ARG A 29 -0.940 10.414 -5.985 1.00 1.00 H ATOM 399 HH11 ARG A 29 -0.249 10.390 -9.415 1.00 1.00 H ATOM 400 HH12 ARG A 29 -0.539 12.080 -9.607 1.00 1.00 H ATOM 401 HH21 ARG A 29 -1.313 12.658 -6.257 1.00 1.00 H ATOM 402 HH22 ARG A 29 -1.137 13.363 -7.827 1.00 1.00 H ATOM 403 N LYS A 30 -4.464 7.227 -6.481 1.00 1.00 N ATOM 404 CA LYS A 30 -5.798 7.468 -7.042 1.00 1.00 C ATOM 405 C LYS A 30 -6.828 6.448 -6.568 1.00 1.00 C ATOM 406 O LYS A 30 -6.486 5.309 -6.260 1.00 1.00 O ATOM 407 CB LYS A 30 -5.752 7.491 -8.570 1.00 1.00 C ATOM 408 CG LYS A 30 -6.317 8.776 -9.155 1.00 1.00 C ATOM 409 CD LYS A 30 -5.603 9.179 -10.433 1.00 1.00 C ATOM 410 CE LYS A 30 -5.951 8.249 -11.582 1.00 1.00 C ATOM 411 NZ LYS A 30 -4.977 7.130 -11.707 1.00 1.00 N ATOM 412 H LYS A 30 -3.747 6.892 -7.035 1.00 1.00 H ATOM 413 HA LYS A 30 -6.117 8.442 -6.701 1.00 1.00 H ATOM 414 HB2 LYS A 30 -4.727 7.387 -8.894 1.00 1.00 H ATOM 415 HB3 LYS A 30 -6.330 6.663 -8.953 1.00 1.00 H ATOM 416 HG2 LYS A 30 -7.364 8.630 -9.372 1.00 1.00 H ATOM 417 HG3 LYS A 30 -6.206 9.566 -8.427 1.00 1.00 H ATOM 418 HD2 LYS A 30 -5.899 10.184 -10.695 1.00 1.00 H ATOM 419 HD3 LYS A 30 -4.536 9.148 -10.265 1.00 1.00 H ATOM 420 HE2 LYS A 30 -6.935 7.840 -11.412 1.00 1.00 H ATOM 421 HE3 LYS A 30 -5.952 8.818 -12.501 1.00 1.00 H ATOM 422 HZ1 LYS A 30 -5.393 6.251 -11.336 1.00 1.00 H ATOM 423 HZ2 LYS A 30 -4.113 7.344 -11.170 1.00 1.00 H ATOM 424 HZ3 LYS A 30 -4.724 6.986 -12.706 1.00 1.00 H ATOM 425 N ALA A 31 -8.097 6.898 -6.537 1.00 1.00 N ATOM 426 CA ALA A 31 -9.264 6.102 -6.130 1.00 1.00 C ATOM 427 C ALA A 31 -10.093 6.843 -5.069 1.00 1.00 C ATOM 428 O ALA A 31 -9.965 8.054 -4.907 1.00 1.00 O ATOM 429 CB ALA A 31 -8.890 4.697 -5.642 1.00 1.00 C ATOM 430 H ALA A 31 -8.261 7.816 -6.819 1.00 1.00 H ATOM 431 HA ALA A 31 -9.875 5.996 -7.010 1.00 1.00 H ATOM 432 HB1 ALA A 31 -7.849 4.662 -5.378 1.00 1.00 H ATOM 433 HB2 ALA A 31 -9.087 3.981 -6.425 1.00 1.00 H ATOM 434 HB3 ALA A 31 -9.482 4.445 -4.776 1.00 1.00 H ATOM 435 N CYS A 32 -10.935 6.095 -4.354 1.00 1.00 N ATOM 436 CA CYS A 32 -11.791 6.622 -3.298 1.00 1.00 C ATOM 437 C CYS A 32 -12.391 8.004 -3.614 1.00 1.00 C ATOM 438 O CYS A 32 -13.333 8.103 -4.401 1.00 1.00 O ATOM 439 CB CYS A 32 -11.022 6.641 -1.980 1.00 1.00 C ATOM 440 SG CYS A 32 -12.012 7.204 -0.557 1.00 1.00 S ATOM 441 H CYS A 32 -10.976 5.144 -4.533 1.00 1.00 H ATOM 442 HA CYS A 32 -12.612 5.928 -3.191 1.00 1.00 H ATOM 443 HB2 CYS A 32 -10.672 5.642 -1.759 1.00 1.00 H ATOM 444 HB3 CYS A 32 -10.171 7.291 -2.080 1.00 1.00 H ATOM 445 N ARG A 33 -11.875 9.060 -2.964 1.00 1.00 N ATOM 446 CA ARG A 33 -12.390 10.427 -3.139 1.00 1.00 C ATOM 447 C ARG A 33 -13.013 10.663 -4.508 1.00 1.00 C ATOM 448 O ARG A 33 -12.500 10.205 -5.527 1.00 1.00 O ATOM 449 CB ARG A 33 -11.292 11.464 -2.897 1.00 1.00 C ATOM 450 CG ARG A 33 -10.053 11.246 -3.738 1.00 1.00 C ATOM 451 CD ARG A 33 -9.128 10.238 -3.088 1.00 1.00 C ATOM 452 NE ARG A 33 -7.745 10.421 -3.511 1.00 1.00 N ATOM 453 CZ ARG A 33 -6.943 11.376 -3.041 1.00 1.00 C ATOM 454 NH1 ARG A 33 -7.367 12.217 -2.104 1.00 1.00 N ATOM 455 NH2 ARG A 33 -5.708 11.486 -3.506 1.00 1.00 N ATOM 456 H ARG A 33 -11.147 8.916 -2.328 1.00 1.00 H ATOM 457 HA ARG A 33 -13.158 10.572 -2.394 1.00 1.00 H ATOM 458 HB2 ARG A 33 -11.685 12.444 -3.125 1.00 1.00 H ATOM 459 HB3 ARG A 33 -11.006 11.434 -1.856 1.00 1.00 H ATOM 460 HG2 ARG A 33 -10.346 10.881 -4.712 1.00 1.00 H ATOM 461 HG3 ARG A 33 -9.530 12.185 -3.843 1.00 1.00 H ATOM 462 HD2 ARG A 33 -9.189 10.353 -2.017 1.00 1.00 H ATOM 463 HD3 ARG A 33 -9.451 9.246 -3.359 1.00 1.00 H ATOM 464 HE ARG A 33 -7.397 9.808 -4.191 1.00 1.00 H ATOM 465 HH11 ARG A 33 -8.295 12.141 -1.742 1.00 1.00 H ATOM 466 HH12 ARG A 33 -6.754 12.929 -1.760 1.00 1.00 H ATOM 467 HH21 ARG A 33 -5.380 10.854 -4.208 1.00 1.00 H ATOM 468 HH22 ARG A 33 -5.105 12.205 -3.159 1.00 1.00 H ATOM 469 N THR A 34 -14.122 11.402 -4.495 1.00 1.00 N ATOM 470 CA THR A 34 -14.873 11.760 -5.697 1.00 1.00 C ATOM 471 C THR A 34 -15.180 10.558 -6.595 1.00 1.00 C ATOM 472 O THR A 34 -16.341 10.179 -6.748 1.00 1.00 O ATOM 473 CB THR A 34 -14.157 12.866 -6.490 1.00 1.00 C ATOM 474 OG1 THR A 34 -14.807 13.093 -7.726 1.00 1.00 O ATOM 475 CG2 THR A 34 -12.698 12.591 -6.795 1.00 1.00 C ATOM 476 H THR A 34 -14.449 11.730 -3.630 1.00 1.00 H ATOM 477 HA THR A 34 -15.819 12.158 -5.359 1.00 1.00 H ATOM 478 HB THR A 34 -14.203 13.781 -5.917 1.00 1.00 H ATOM 479 HG1 THR A 34 -14.580 13.968 -8.049 1.00 1.00 H ATOM 480 HG21 THR A 34 -12.286 13.423 -7.347 1.00 1.00 H ATOM 481 HG22 THR A 34 -12.614 11.696 -7.389 1.00 1.00 H ATOM 482 HG23 THR A 34 -12.151 12.467 -5.874 1.00 1.00 H ATOM 483 N THR A 35 -14.154 9.971 -7.198 1.00 1.00 N ATOM 484 CA THR A 35 -14.345 8.836 -8.087 1.00 1.00 C ATOM 485 C THR A 35 -13.001 8.238 -8.494 1.00 1.00 C ATOM 486 O THR A 35 -12.183 7.961 -7.592 1.00 1.00 O ATOM 487 CB THR A 35 -15.124 9.283 -9.327 1.00 1.00 C ATOM 488 OG1 THR A 35 -15.395 8.185 -10.179 1.00 1.00 O ATOM 489 CG2 THR A 35 -14.395 10.332 -10.141 1.00 1.00 C ATOM 490 OXT THR A 35 -12.775 8.052 -9.709 1.00 1.00 O ATOM 491 H THR A 35 -13.252 10.311 -7.050 1.00 1.00 H ATOM 492 HA THR A 35 -14.918 8.089 -7.560 1.00 1.00 H ATOM 493 HB THR A 35 -16.067 9.708 -9.012 1.00 1.00 H ATOM 494 HG1 THR A 35 -16.344 8.101 -10.300 1.00 1.00 H ATOM 495 HG21 THR A 35 -14.622 10.199 -11.188 1.00 1.00 H ATOM 496 HG22 THR A 35 -13.331 10.232 -9.987 1.00 1.00 H ATOM 497 HG23 THR A 35 -14.713 11.316 -9.827 1.00 1.00 H TER 498 THR A 35 CONECT 40 251 CONECT 189 440 CONECT 227 360 CONECT 251 40 CONECT 360 227 CONECT 440 189 MASTER 73 0 0 0 3 0 0 6 497 1 6 3 END