HEADER IGG BINDING DOMAIN 09-JUL-97 1ZDB TITLE PHAGE-SELECTED MINI PROTEIN A DOMAIN, Z38, NMR, MINIMIZED TITLE 2 MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MINI PROTEIN A DOMAIN, Z38; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: MINIMIZED, TWO-HELIX, IGG-BINDING VARIANT COMPND 6 OF PROTEIN A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 3 ORGANISM_TAXID: 32630 KEYWDS IGG BINDING DOMAIN, PROTEIN A MIMIC EXPDTA SOLUTION NMR AUTHOR M.A.STAROVASNIK REVDAT 2 24-FEB-09 1ZDB 1 VERSN REVDAT 1 17-SEP-97 1ZDB 0 JRNL AUTH M.A.STAROVASNIK,A.C.BRAISTED,J.A.WELLS JRNL TITL STRUCTURAL MIMICRY OF A NATIVE PROTEIN BY A JRNL TITL 2 MINIMIZED BINDING DOMAIN. JRNL REF PROC.NATL.ACAD.SCI.USA V. 94 10080 1997 JRNL REFN ISSN 0027-8424 JRNL PMID 9294166 JRNL DOI 10.1073/PNAS.94.19.10080 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ZDB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 281 REMARK 210 PH : 5.1 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : IN H2O: NOESY, TOCSY, COSY; REMARK 210 IN D2O: NOESY, COSY-35, 2Q REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII, DISCOVER REMARK 210 METHOD USED : METRIX MATRIX DISTANCE REMARK 210 GEOMETRY FOLLOWED BY REMARK 210 RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 56 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST RESTRAINT VIOLATION REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 3 -69.30 -179.89 REMARK 500 GLN A 4 82.48 55.09 REMARK 500 SER A 5 -107.70 -88.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 PHE A 14 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ALA A 1 123.9 ALPHA-CARBON REMARK 500 ALA A 3 121.7 ALPHA-CARBON REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ZDA RELATED DB: PDB DBREF 1ZDB A 1 38 PDB 1ZDB 1ZDB 1 38 SEQRES 1 A 38 ALA VAL ALA GLN SER PHE ASN MET GLN GLN GLN ARG ARG SEQRES 2 A 38 PHE TYR GLU ALA LEU HIS ASP PRO ASN LEU ASN GLU GLU SEQRES 3 A 38 GLN ARG ASN ALA LYS ILE LYS SER ILE ARG ASP ASP HELIX 1 H1 MET A 8 LEU A 18 1 11 HELIX 2 H2 GLU A 25 ASP A 38 1 14 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ALA A 1 3.083 13.112 1.109 1.00 0.00 N ATOM 2 CA ALA A 1 2.925 13.630 -0.267 1.00 0.00 C ATOM 3 C ALA A 1 2.221 14.988 -0.282 1.00 0.00 C ATOM 4 O ALA A 1 2.244 15.706 0.715 1.00 0.00 O ATOM 5 CB ALA A 1 4.279 13.716 -0.978 1.00 0.00 C ATOM 6 H1 ALA A 1 2.775 13.465 2.003 1.00 0.00 H ATOM 7 H2 ALA A 1 2.081 13.005 1.037 1.00 0.00 H ATOM 8 H3 ALA A 1 3.655 13.940 1.204 1.00 0.00 H ATOM 9 HA ALA A 1 2.310 12.917 -0.821 1.00 0.00 H ATOM 10 HB1 ALA A 1 4.759 12.736 -0.974 1.00 0.00 H ATOM 11 HB2 ALA A 1 4.137 14.035 -2.011 1.00 0.00 H ATOM 12 HB3 ALA A 1 4.926 14.432 -0.469 1.00 0.00 H ATOM 13 N VAL A 2 1.593 15.327 -1.415 1.00 0.00 N ATOM 14 CA VAL A 2 0.862 16.579 -1.592 1.00 0.00 C ATOM 15 C VAL A 2 -0.359 16.682 -0.672 1.00 0.00 C ATOM 16 O VAL A 2 -0.797 17.784 -0.348 1.00 0.00 O ATOM 17 CB VAL A 2 0.483 16.787 -3.070 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.737 16.862 -3.950 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.460 15.698 -3.602 1.00 0.00 C ATOM 20 H VAL A 2 1.626 14.689 -2.196 1.00 0.00 H ATOM 21 HA VAL A 2 1.527 17.383 -1.295 1.00 0.00 H ATOM 22 HB VAL A 2 -0.033 17.746 -3.152 1.00 0.00 H ATOM 23 HG11 VAL A 2 2.405 17.638 -3.575 1.00 0.00 H ATOM 24 HG12 VAL A 2 2.263 15.908 -3.955 1.00 0.00 H ATOM 25 HG13 VAL A 2 1.451 17.111 -4.972 1.00 0.00 H ATOM 26 HG21 VAL A 2 -1.389 15.688 -3.032 1.00 0.00 H ATOM 27 HG22 VAL A 2 -0.701 15.907 -4.645 1.00 0.00 H ATOM 28 HG23 VAL A 2 0.009 14.716 -3.541 1.00 0.00 H ATOM 29 N ALA A 3 -0.896 15.528 -0.271 1.00 0.00 N ATOM 30 CA ALA A 3 -1.993 15.363 0.673 1.00 0.00 C ATOM 31 C ALA A 3 -2.256 13.864 0.820 1.00 0.00 C ATOM 32 O ALA A 3 -1.978 13.277 1.864 1.00 0.00 O ATOM 33 CB ALA A 3 -1.647 16.000 2.028 1.00 0.00 C ATOM 34 H ALA A 3 -0.447 14.694 -0.613 1.00 0.00 H ATOM 35 HA ALA A 3 -2.889 15.845 0.277 1.00 0.00 H ATOM 36 HB1 ALA A 3 -0.704 15.600 2.402 1.00 0.00 H ATOM 37 HB2 ALA A 3 -1.563 17.083 1.939 1.00 0.00 H ATOM 38 HB3 ALA A 3 -2.438 15.782 2.747 1.00 0.00 H ATOM 39 N GLN A 4 -2.782 13.258 -0.253 1.00 0.00 N ATOM 40 CA GLN A 4 -3.083 11.840 -0.367 1.00 0.00 C ATOM 41 C GLN A 4 -3.999 11.361 0.760 1.00 0.00 C ATOM 42 O GLN A 4 -3.534 10.793 1.746 1.00 0.00 O ATOM 43 CB GLN A 4 -1.784 11.028 -0.505 1.00 0.00 C ATOM 44 CG GLN A 4 -2.006 9.513 -0.615 1.00 0.00 C ATOM 45 CD GLN A 4 -3.087 9.135 -1.626 1.00 0.00 C ATOM 46 OE1 GLN A 4 -2.859 9.193 -2.831 1.00 0.00 O ATOM 47 NE2 GLN A 4 -4.269 8.745 -1.142 1.00 0.00 N ATOM 48 H GLN A 4 -2.968 13.816 -1.071 1.00 0.00 H ATOM 49 HA GLN A 4 -3.632 11.727 -1.301 1.00 0.00 H ATOM 50 HB2 GLN A 4 -1.269 11.365 -1.406 1.00 0.00 H ATOM 51 HB3 GLN A 4 -1.132 11.214 0.350 1.00 0.00 H ATOM 52 HG2 GLN A 4 -1.066 9.057 -0.924 1.00 0.00 H ATOM 53 HG3 GLN A 4 -2.265 9.109 0.363 1.00 0.00 H ATOM 54 HE21 GLN A 4 -4.433 8.712 -0.143 1.00 0.00 H ATOM 55 HE22 GLN A 4 -5.006 8.492 -1.781 1.00 0.00 H ATOM 56 N SER A 5 -5.365 11.555 0.644 1.00 0.00 N ATOM 57 CA SER A 5 -6.302 11.038 1.627 1.00 0.00 C ATOM 58 C SER A 5 -6.684 9.622 1.200 1.00 0.00 C ATOM 59 O SER A 5 -5.863 8.712 1.312 1.00 0.00 O ATOM 60 CB SER A 5 -7.480 12.006 1.794 1.00 0.00 C ATOM 61 OG SER A 5 -7.016 13.239 2.303 1.00 0.00 O ATOM 62 H SER A 5 -5.725 12.025 -0.177 1.00 0.00 H ATOM 63 HA SER A 5 -5.836 10.955 2.603 1.00 0.00 H ATOM 64 HB2 SER A 5 -7.954 12.191 0.834 1.00 0.00 H ATOM 65 HB3 SER A 5 -8.212 11.590 2.487 1.00 0.00 H ATOM 66 HG SER A 5 -6.567 13.078 3.137 1.00 0.00 H ATOM 67 N PHE A 6 -7.913 9.431 0.712 1.00 0.00 N ATOM 68 CA PHE A 6 -8.455 8.123 0.346 1.00 0.00 C ATOM 69 C PHE A 6 -8.491 7.934 -1.170 1.00 0.00 C ATOM 70 O PHE A 6 -9.281 7.142 -1.675 1.00 0.00 O ATOM 71 CB PHE A 6 -9.854 7.971 0.961 1.00 0.00 C ATOM 72 CG PHE A 6 -9.957 8.280 2.446 1.00 0.00 C ATOM 73 CD1 PHE A 6 -8.856 8.084 3.303 1.00 0.00 C ATOM 74 CD2 PHE A 6 -11.163 8.781 2.968 1.00 0.00 C ATOM 75 CE1 PHE A 6 -8.958 8.402 4.668 1.00 0.00 C ATOM 76 CE2 PHE A 6 -11.263 9.104 4.333 1.00 0.00 C ATOM 77 CZ PHE A 6 -10.161 8.915 5.183 1.00 0.00 C ATOM 78 H PHE A 6 -8.517 10.235 0.639 1.00 0.00 H ATOM 79 HA PHE A 6 -7.825 7.321 0.733 1.00 0.00 H ATOM 80 HB2 PHE A 6 -10.528 8.641 0.426 1.00 0.00 H ATOM 81 HB3 PHE A 6 -10.200 6.948 0.806 1.00 0.00 H ATOM 82 HD1 PHE A 6 -7.921 7.710 2.913 1.00 0.00 H ATOM 83 HD2 PHE A 6 -12.017 8.920 2.322 1.00 0.00 H ATOM 84 HE1 PHE A 6 -8.110 8.256 5.321 1.00 0.00 H ATOM 85 HE2 PHE A 6 -12.189 9.497 4.727 1.00 0.00 H ATOM 86 HZ PHE A 6 -10.238 9.163 6.232 1.00 0.00 H ATOM 87 N ASN A 7 -7.641 8.663 -1.897 1.00 0.00 N ATOM 88 CA ASN A 7 -7.599 8.688 -3.357 1.00 0.00 C ATOM 89 C ASN A 7 -7.341 7.295 -3.936 1.00 0.00 C ATOM 90 O ASN A 7 -7.969 6.908 -4.918 1.00 0.00 O ATOM 91 CB ASN A 7 -6.538 9.687 -3.840 1.00 0.00 C ATOM 92 CG ASN A 7 -6.707 11.047 -3.168 1.00 0.00 C ATOM 93 OD1 ASN A 7 -6.087 11.306 -2.140 1.00 0.00 O ATOM 94 ND2 ASN A 7 -7.551 11.910 -3.732 1.00 0.00 N ATOM 95 H ASN A 7 -7.041 9.295 -1.390 1.00 0.00 H ATOM 96 HA ASN A 7 -8.563 9.044 -3.720 1.00 0.00 H ATOM 97 HB2 ASN A 7 -5.544 9.304 -3.613 1.00 0.00 H ATOM 98 HB3 ASN A 7 -6.618 9.801 -4.922 1.00 0.00 H ATOM 99 HD21 ASN A 7 -8.065 11.668 -4.565 1.00 0.00 H ATOM 100 HD22 ASN A 7 -7.750 12.779 -3.246 1.00 0.00 H ATOM 101 N MET A 8 -6.420 6.545 -3.319 1.00 0.00 N ATOM 102 CA MET A 8 -6.036 5.203 -3.738 1.00 0.00 C ATOM 103 C MET A 8 -7.207 4.224 -3.614 1.00 0.00 C ATOM 104 O MET A 8 -7.411 3.397 -4.499 1.00 0.00 O ATOM 105 CB MET A 8 -4.839 4.732 -2.902 1.00 0.00 C ATOM 106 CG MET A 8 -3.585 5.564 -3.199 1.00 0.00 C ATOM 107 SD MET A 8 -2.176 5.263 -2.097 1.00 0.00 S ATOM 108 CE MET A 8 -1.778 3.550 -2.532 1.00 0.00 C ATOM 109 H MET A 8 -5.956 6.924 -2.508 1.00 0.00 H ATOM 110 HA MET A 8 -5.732 5.235 -4.787 1.00 0.00 H ATOM 111 HB2 MET A 8 -5.084 4.812 -1.842 1.00 0.00 H ATOM 112 HB3 MET A 8 -4.633 3.688 -3.137 1.00 0.00 H ATOM 113 HG2 MET A 8 -3.269 5.375 -4.226 1.00 0.00 H ATOM 114 HG3 MET A 8 -3.825 6.622 -3.112 1.00 0.00 H ATOM 115 HE1 MET A 8 -1.635 3.468 -3.609 1.00 0.00 H ATOM 116 HE2 MET A 8 -0.860 3.258 -2.023 1.00 0.00 H ATOM 117 HE3 MET A 8 -2.586 2.890 -2.217 1.00 0.00 H ATOM 118 N GLN A 9 -7.981 4.317 -2.526 1.00 0.00 N ATOM 119 CA GLN A 9 -9.176 3.506 -2.328 1.00 0.00 C ATOM 120 C GLN A 9 -10.246 3.908 -3.348 1.00 0.00 C ATOM 121 O GLN A 9 -10.847 3.055 -3.999 1.00 0.00 O ATOM 122 CB GLN A 9 -9.682 3.695 -0.891 1.00 0.00 C ATOM 123 CG GLN A 9 -10.794 2.696 -0.553 1.00 0.00 C ATOM 124 CD GLN A 9 -11.500 3.071 0.745 1.00 0.00 C ATOM 125 OE1 GLN A 9 -12.658 3.482 0.723 1.00 0.00 O ATOM 126 NE2 GLN A 9 -10.808 2.935 1.877 1.00 0.00 N ATOM 127 H GLN A 9 -7.765 5.017 -1.831 1.00 0.00 H ATOM 128 HA GLN A 9 -8.916 2.455 -2.468 1.00 0.00 H ATOM 129 HB2 GLN A 9 -8.856 3.548 -0.193 1.00 0.00 H ATOM 130 HB3 GLN A 9 -10.061 4.711 -0.771 1.00 0.00 H ATOM 131 HG2 GLN A 9 -11.535 2.685 -1.350 1.00 0.00 H ATOM 132 HG3 GLN A 9 -10.371 1.695 -0.465 1.00 0.00 H ATOM 133 HE21 GLN A 9 -9.858 2.595 1.852 1.00 0.00 H ATOM 134 HE22 GLN A 9 -11.241 3.174 2.758 1.00 0.00 H ATOM 135 N GLN A 10 -10.467 5.220 -3.476 1.00 0.00 N ATOM 136 CA GLN A 10 -11.433 5.826 -4.377 1.00 0.00 C ATOM 137 C GLN A 10 -11.130 5.556 -5.854 1.00 0.00 C ATOM 138 O GLN A 10 -12.038 5.692 -6.666 1.00 0.00 O ATOM 139 CB GLN A 10 -11.501 7.331 -4.101 1.00 0.00 C ATOM 140 CG GLN A 10 -12.274 7.634 -2.809 1.00 0.00 C ATOM 141 CD GLN A 10 -12.215 9.116 -2.444 1.00 0.00 C ATOM 142 OE1 GLN A 10 -13.245 9.776 -2.334 1.00 0.00 O ATOM 143 NE2 GLN A 10 -11.002 9.633 -2.254 1.00 0.00 N ATOM 144 H GLN A 10 -9.922 5.849 -2.902 1.00 0.00 H ATOM 145 HA GLN A 10 -12.414 5.401 -4.174 1.00 0.00 H ATOM 146 HB2 GLN A 10 -10.486 7.729 -4.042 1.00 0.00 H ATOM 147 HB3 GLN A 10 -12.022 7.815 -4.925 1.00 0.00 H ATOM 148 HG2 GLN A 10 -13.316 7.346 -2.948 1.00 0.00 H ATOM 149 HG3 GLN A 10 -11.865 7.056 -1.981 1.00 0.00 H ATOM 150 HE21 GLN A 10 -10.195 9.038 -2.358 1.00 0.00 H ATOM 151 HE22 GLN A 10 -10.871 10.603 -1.987 1.00 0.00 H ATOM 152 N GLN A 11 -9.892 5.178 -6.201 1.00 0.00 N ATOM 153 CA GLN A 11 -9.423 4.872 -7.553 1.00 0.00 C ATOM 154 C GLN A 11 -10.404 4.010 -8.368 1.00 0.00 C ATOM 155 O GLN A 11 -10.479 4.165 -9.584 1.00 0.00 O ATOM 156 CB GLN A 11 -8.063 4.173 -7.440 1.00 0.00 C ATOM 157 CG GLN A 11 -7.363 4.011 -8.793 1.00 0.00 C ATOM 158 CD GLN A 11 -5.977 3.395 -8.626 1.00 0.00 C ATOM 159 OE1 GLN A 11 -4.968 4.054 -8.865 1.00 0.00 O ATOM 160 NE2 GLN A 11 -5.921 2.126 -8.216 1.00 0.00 N ATOM 161 H GLN A 11 -9.195 5.133 -5.471 1.00 0.00 H ATOM 162 HA GLN A 11 -9.255 5.821 -8.076 1.00 0.00 H ATOM 163 HB2 GLN A 11 -7.414 4.773 -6.800 1.00 0.00 H ATOM 164 HB3 GLN A 11 -8.204 3.192 -6.985 1.00 0.00 H ATOM 165 HG2 GLN A 11 -7.950 3.369 -9.450 1.00 0.00 H ATOM 166 HG3 GLN A 11 -7.260 4.992 -9.258 1.00 0.00 H ATOM 167 HE21 GLN A 11 -6.772 1.619 -8.023 1.00 0.00 H ATOM 168 HE22 GLN A 11 -5.023 1.682 -8.092 1.00 0.00 H ATOM 169 N ARG A 12 -11.152 3.103 -7.725 1.00 0.00 N ATOM 170 CA ARG A 12 -12.109 2.244 -8.413 1.00 0.00 C ATOM 171 C ARG A 12 -13.417 2.974 -8.736 1.00 0.00 C ATOM 172 O ARG A 12 -13.936 2.826 -9.840 1.00 0.00 O ATOM 173 CB ARG A 12 -12.356 0.959 -7.614 1.00 0.00 C ATOM 174 CG ARG A 12 -11.074 0.148 -7.356 1.00 0.00 C ATOM 175 CD ARG A 12 -10.214 -0.070 -8.610 1.00 0.00 C ATOM 176 NE ARG A 12 -11.008 -0.597 -9.731 1.00 0.00 N ATOM 177 CZ ARG A 12 -10.836 -0.306 -11.033 1.00 0.00 C ATOM 178 NH1 ARG A 12 -9.853 0.505 -11.449 1.00 0.00 N ATOM 179 NH2 ARG A 12 -11.667 -0.841 -11.938 1.00 0.00 N ATOM 180 H ARG A 12 -11.058 3.005 -6.724 1.00 0.00 H ATOM 181 HA ARG A 12 -11.688 1.958 -9.375 1.00 0.00 H ATOM 182 HB2 ARG A 12 -12.812 1.208 -6.655 1.00 0.00 H ATOM 183 HB3 ARG A 12 -13.057 0.336 -8.171 1.00 0.00 H ATOM 184 HG2 ARG A 12 -10.467 0.659 -6.607 1.00 0.00 H ATOM 185 HG3 ARG A 12 -11.362 -0.824 -6.952 1.00 0.00 H ATOM 186 HD2 ARG A 12 -9.738 0.876 -8.868 1.00 0.00 H ATOM 187 HD3 ARG A 12 -9.427 -0.787 -8.373 1.00 0.00 H ATOM 188 HE ARG A 12 -11.758 -1.227 -9.483 1.00 0.00 H ATOM 189 HH11 ARG A 12 -9.208 0.911 -10.788 1.00 0.00 H ATOM 190 HH12 ARG A 12 -9.754 0.715 -12.432 1.00 0.00 H ATOM 191 HH21 ARG A 12 -12.414 -1.452 -11.642 1.00 0.00 H ATOM 192 HH22 ARG A 12 -11.550 -0.631 -12.919 1.00 0.00 H ATOM 193 N ARG A 13 -13.949 3.767 -7.798 1.00 0.00 N ATOM 194 CA ARG A 13 -15.122 4.605 -8.040 1.00 0.00 C ATOM 195 C ARG A 13 -14.784 5.722 -9.038 1.00 0.00 C ATOM 196 O ARG A 13 -15.633 6.147 -9.817 1.00 0.00 O ATOM 197 CB ARG A 13 -15.645 5.198 -6.722 1.00 0.00 C ATOM 198 CG ARG A 13 -16.371 4.171 -5.835 1.00 0.00 C ATOM 199 CD ARG A 13 -15.456 3.327 -4.940 1.00 0.00 C ATOM 200 NE ARG A 13 -14.812 4.145 -3.903 1.00 0.00 N ATOM 201 CZ ARG A 13 -14.203 3.654 -2.810 1.00 0.00 C ATOM 202 NH1 ARG A 13 -14.046 2.333 -2.646 1.00 0.00 N ATOM 203 NH2 ARG A 13 -13.752 4.494 -1.868 1.00 0.00 N ATOM 204 H ARG A 13 -13.469 3.873 -6.916 1.00 0.00 H ATOM 205 HA ARG A 13 -15.913 3.994 -8.477 1.00 0.00 H ATOM 206 HB2 ARG A 13 -14.839 5.686 -6.174 1.00 0.00 H ATOM 207 HB3 ARG A 13 -16.382 5.959 -6.983 1.00 0.00 H ATOM 208 HG2 ARG A 13 -17.057 4.713 -5.182 1.00 0.00 H ATOM 209 HG3 ARG A 13 -16.966 3.509 -6.464 1.00 0.00 H ATOM 210 HD2 ARG A 13 -16.084 2.579 -4.452 1.00 0.00 H ATOM 211 HD3 ARG A 13 -14.702 2.806 -5.527 1.00 0.00 H ATOM 212 HE ARG A 13 -14.886 5.147 -4.004 1.00 0.00 H ATOM 213 HH11 ARG A 13 -14.371 1.693 -3.355 1.00 0.00 H ATOM 214 HH12 ARG A 13 -13.601 1.975 -1.813 1.00 0.00 H ATOM 215 HH21 ARG A 13 -13.871 5.490 -1.979 1.00 0.00 H ATOM 216 HH22 ARG A 13 -13.317 4.132 -1.029 1.00 0.00 H ATOM 217 N PHE A 14 -13.532 6.182 -9.004 1.00 0.00 N ATOM 218 CA PHE A 14 -12.937 7.167 -9.889 1.00 0.00 C ATOM 219 C PHE A 14 -12.892 6.621 -11.318 1.00 0.00 C ATOM 220 O PHE A 14 -13.378 7.267 -12.245 1.00 0.00 O ATOM 221 CB PHE A 14 -11.533 7.432 -9.339 1.00 0.00 C ATOM 222 CG PHE A 14 -10.722 8.528 -9.979 1.00 0.00 C ATOM 223 CD1 PHE A 14 -11.089 9.867 -9.764 1.00 0.00 C ATOM 224 CD2 PHE A 14 -9.430 8.225 -10.445 1.00 0.00 C ATOM 225 CE1 PHE A 14 -10.187 10.900 -10.058 1.00 0.00 C ATOM 226 CE2 PHE A 14 -8.507 9.253 -10.679 1.00 0.00 C ATOM 227 CZ PHE A 14 -8.890 10.596 -10.511 1.00 0.00 C ATOM 228 H PHE A 14 -12.918 5.787 -8.308 1.00 0.00 H ATOM 229 HA PHE A 14 -13.527 8.084 -9.860 1.00 0.00 H ATOM 230 HB2 PHE A 14 -11.600 7.671 -8.281 1.00 0.00 H ATOM 231 HB3 PHE A 14 -10.969 6.513 -9.413 1.00 0.00 H ATOM 232 HD1 PHE A 14 -12.052 10.104 -9.340 1.00 0.00 H ATOM 233 HD2 PHE A 14 -9.121 7.198 -10.580 1.00 0.00 H ATOM 234 HE1 PHE A 14 -10.494 11.920 -9.898 1.00 0.00 H ATOM 235 HE2 PHE A 14 -7.499 8.988 -10.952 1.00 0.00 H ATOM 236 HZ PHE A 14 -8.182 11.387 -10.708 1.00 0.00 H ATOM 237 N TYR A 15 -12.323 5.419 -11.480 1.00 0.00 N ATOM 238 CA TYR A 15 -12.295 4.681 -12.735 1.00 0.00 C ATOM 239 C TYR A 15 -13.717 4.477 -13.259 1.00 0.00 C ATOM 240 O TYR A 15 -13.976 4.724 -14.433 1.00 0.00 O ATOM 241 CB TYR A 15 -11.582 3.339 -12.517 1.00 0.00 C ATOM 242 CG TYR A 15 -11.552 2.424 -13.727 1.00 0.00 C ATOM 243 CD1 TYR A 15 -12.638 1.568 -13.991 1.00 0.00 C ATOM 244 CD2 TYR A 15 -10.414 2.381 -14.554 1.00 0.00 C ATOM 245 CE1 TYR A 15 -12.599 0.697 -15.093 1.00 0.00 C ATOM 246 CE2 TYR A 15 -10.359 1.478 -15.629 1.00 0.00 C ATOM 247 CZ TYR A 15 -11.460 0.653 -15.914 1.00 0.00 C ATOM 248 OH TYR A 15 -11.420 -0.185 -16.989 1.00 0.00 O ATOM 249 H TYR A 15 -11.918 4.963 -10.673 1.00 0.00 H ATOM 250 HA TYR A 15 -11.727 5.256 -13.468 1.00 0.00 H ATOM 251 HB2 TYR A 15 -10.557 3.541 -12.206 1.00 0.00 H ATOM 252 HB3 TYR A 15 -12.072 2.804 -11.703 1.00 0.00 H ATOM 253 HD1 TYR A 15 -13.505 1.570 -13.347 1.00 0.00 H ATOM 254 HD2 TYR A 15 -9.577 3.038 -14.370 1.00 0.00 H ATOM 255 HE1 TYR A 15 -13.446 0.059 -15.302 1.00 0.00 H ATOM 256 HE2 TYR A 15 -9.476 1.435 -16.250 1.00 0.00 H ATOM 257 HH TYR A 15 -12.218 -0.709 -17.092 1.00 0.00 H ATOM 258 N GLU A 16 -14.631 4.029 -12.388 1.00 0.00 N ATOM 259 CA GLU A 16 -16.026 3.802 -12.733 1.00 0.00 C ATOM 260 C GLU A 16 -16.641 5.077 -13.309 1.00 0.00 C ATOM 261 O GLU A 16 -17.182 5.042 -14.408 1.00 0.00 O ATOM 262 CB GLU A 16 -16.794 3.301 -11.504 1.00 0.00 C ATOM 263 CG GLU A 16 -18.248 2.949 -11.838 1.00 0.00 C ATOM 264 CD GLU A 16 -18.988 2.474 -10.591 1.00 0.00 C ATOM 265 OE1 GLU A 16 -19.401 3.356 -9.807 1.00 0.00 O ATOM 266 OE2 GLU A 16 -19.123 1.240 -10.441 1.00 0.00 O ATOM 267 H GLU A 16 -14.344 3.830 -11.439 1.00 0.00 H ATOM 268 HA GLU A 16 -16.061 3.021 -13.495 1.00 0.00 H ATOM 269 HB2 GLU A 16 -16.301 2.410 -11.114 1.00 0.00 H ATOM 270 HB3 GLU A 16 -16.792 4.068 -10.731 1.00 0.00 H ATOM 271 HG2 GLU A 16 -18.767 3.823 -12.231 1.00 0.00 H ATOM 272 HG3 GLU A 16 -18.267 2.163 -12.594 1.00 0.00 H ATOM 273 N ALA A 17 -16.549 6.195 -12.581 1.00 0.00 N ATOM 274 CA ALA A 17 -17.077 7.484 -13.008 1.00 0.00 C ATOM 275 C ALA A 17 -16.546 7.875 -14.387 1.00 0.00 C ATOM 276 O ALA A 17 -17.330 8.189 -15.281 1.00 0.00 O ATOM 277 CB ALA A 17 -16.713 8.550 -11.971 1.00 0.00 C ATOM 278 H ALA A 17 -16.085 6.153 -11.683 1.00 0.00 H ATOM 279 HA ALA A 17 -18.163 7.405 -13.068 1.00 0.00 H ATOM 280 HB1 ALA A 17 -17.139 8.284 -11.007 1.00 0.00 H ATOM 281 HB2 ALA A 17 -15.631 8.630 -11.866 1.00 0.00 H ATOM 282 HB3 ALA A 17 -17.107 9.517 -12.281 1.00 0.00 H ATOM 283 N LEU A 18 -15.217 7.850 -14.542 1.00 0.00 N ATOM 284 CA LEU A 18 -14.521 8.231 -15.761 1.00 0.00 C ATOM 285 C LEU A 18 -14.989 7.399 -16.961 1.00 0.00 C ATOM 286 O LEU A 18 -15.382 7.960 -17.982 1.00 0.00 O ATOM 287 CB LEU A 18 -13.008 8.111 -15.518 1.00 0.00 C ATOM 288 CG LEU A 18 -12.139 8.373 -16.760 1.00 0.00 C ATOM 289 CD1 LEU A 18 -12.336 9.794 -17.304 1.00 0.00 C ATOM 290 CD2 LEU A 18 -10.665 8.173 -16.388 1.00 0.00 C ATOM 291 H LEU A 18 -14.648 7.566 -13.754 1.00 0.00 H ATOM 292 HA LEU A 18 -14.744 9.280 -15.952 1.00 0.00 H ATOM 293 HB2 LEU A 18 -12.725 8.820 -14.741 1.00 0.00 H ATOM 294 HB3 LEU A 18 -12.794 7.111 -15.145 1.00 0.00 H ATOM 295 HG LEU A 18 -12.384 7.658 -17.545 1.00 0.00 H ATOM 296 HD11 LEU A 18 -12.145 10.526 -16.519 1.00 0.00 H ATOM 297 HD12 LEU A 18 -11.645 9.968 -18.129 1.00 0.00 H ATOM 298 HD13 LEU A 18 -13.351 9.922 -17.676 1.00 0.00 H ATOM 299 HD21 LEU A 18 -10.511 7.161 -16.012 1.00 0.00 H ATOM 300 HD22 LEU A 18 -10.039 8.320 -17.268 1.00 0.00 H ATOM 301 HD23 LEU A 18 -10.373 8.887 -15.617 1.00 0.00 H ATOM 302 N HIS A 19 -14.935 6.067 -16.843 1.00 0.00 N ATOM 303 CA HIS A 19 -15.184 5.148 -17.946 1.00 0.00 C ATOM 304 C HIS A 19 -16.676 4.996 -18.259 1.00 0.00 C ATOM 305 O HIS A 19 -17.058 5.036 -19.427 1.00 0.00 O ATOM 306 CB HIS A 19 -14.561 3.779 -17.634 1.00 0.00 C ATOM 307 CG HIS A 19 -13.051 3.763 -17.690 1.00 0.00 C ATOM 308 ND1 HIS A 19 -12.349 2.888 -18.506 1.00 0.00 N ATOM 309 CD2 HIS A 19 -12.086 4.507 -17.054 1.00 0.00 C ATOM 310 CE1 HIS A 19 -11.041 3.152 -18.345 1.00 0.00 C ATOM 311 NE2 HIS A 19 -10.814 4.132 -17.471 1.00 0.00 N ATOM 312 H HIS A 19 -14.639 5.671 -15.961 1.00 0.00 H ATOM 313 HA HIS A 19 -14.694 5.533 -18.842 1.00 0.00 H ATOM 314 HB2 HIS A 19 -14.887 3.441 -16.649 1.00 0.00 H ATOM 315 HB3 HIS A 19 -14.925 3.062 -18.371 1.00 0.00 H ATOM 316 HD1 HIS A 19 -12.746 2.186 -19.113 1.00 0.00 H ATOM 317 HD2 HIS A 19 -12.278 5.288 -16.340 1.00 0.00 H ATOM 318 HE1 HIS A 19 -10.254 2.615 -18.853 1.00 0.00 H ATOM 319 N ASP A 20 -17.509 4.793 -17.231 1.00 0.00 N ATOM 320 CA ASP A 20 -18.909 4.419 -17.383 1.00 0.00 C ATOM 321 C ASP A 20 -19.728 5.503 -18.099 1.00 0.00 C ATOM 322 O ASP A 20 -19.852 6.604 -17.567 1.00 0.00 O ATOM 323 CB ASP A 20 -19.514 4.110 -16.009 1.00 0.00 C ATOM 324 CG ASP A 20 -20.936 3.579 -16.146 1.00 0.00 C ATOM 325 OD1 ASP A 20 -21.072 2.374 -16.446 1.00 0.00 O ATOM 326 OD2 ASP A 20 -21.864 4.392 -15.957 1.00 0.00 O ATOM 327 H ASP A 20 -17.136 4.827 -16.292 1.00 0.00 H ATOM 328 HA ASP A 20 -18.913 3.483 -17.940 1.00 0.00 H ATOM 329 HB2 ASP A 20 -18.909 3.353 -15.507 1.00 0.00 H ATOM 330 HB3 ASP A 20 -19.523 5.015 -15.399 1.00 0.00 H ATOM 331 N PRO A 21 -20.304 5.216 -19.280 1.00 0.00 N ATOM 332 CA PRO A 21 -21.068 6.184 -20.053 1.00 0.00 C ATOM 333 C PRO A 21 -22.478 6.394 -19.487 1.00 0.00 C ATOM 334 O PRO A 21 -23.063 7.453 -19.706 1.00 0.00 O ATOM 335 CB PRO A 21 -21.124 5.602 -21.467 1.00 0.00 C ATOM 336 CG PRO A 21 -21.145 4.096 -21.212 1.00 0.00 C ATOM 337 CD PRO A 21 -20.243 3.944 -19.987 1.00 0.00 C ATOM 338 HA PRO A 21 -20.551 7.145 -20.085 1.00 0.00 H ATOM 339 HB2 PRO A 21 -21.993 5.941 -22.032 1.00 0.00 H ATOM 340 HB3 PRO A 21 -20.208 5.861 -21.999 1.00 0.00 H ATOM 341 HG2 PRO A 21 -22.160 3.783 -20.964 1.00 0.00 H ATOM 342 HG3 PRO A 21 -20.778 3.528 -22.068 1.00 0.00 H ATOM 343 HD2 PRO A 21 -20.604 3.119 -19.371 1.00 0.00 H ATOM 344 HD3 PRO A 21 -19.220 3.754 -20.314 1.00 0.00 H ATOM 345 N ASN A 22 -23.026 5.401 -18.769 1.00 0.00 N ATOM 346 CA ASN A 22 -24.347 5.473 -18.161 1.00 0.00 C ATOM 347 C ASN A 22 -24.397 6.635 -17.163 1.00 0.00 C ATOM 348 O ASN A 22 -25.370 7.387 -17.148 1.00 0.00 O ATOM 349 CB ASN A 22 -24.718 4.099 -17.570 1.00 0.00 C ATOM 350 CG ASN A 22 -25.428 4.187 -16.223 1.00 0.00 C ATOM 351 OD1 ASN A 22 -26.653 4.239 -16.158 1.00 0.00 O ATOM 352 ND2 ASN A 22 -24.646 4.200 -15.143 1.00 0.00 N ATOM 353 H ASN A 22 -22.491 4.565 -18.584 1.00 0.00 H ATOM 354 HA ASN A 22 -25.072 5.692 -18.947 1.00 0.00 H ATOM 355 HB2 ASN A 22 -25.368 3.581 -18.277 1.00 0.00 H ATOM 356 HB3 ASN A 22 -23.827 3.484 -17.442 1.00 0.00 H ATOM 357 HD21 ASN A 22 -23.640 4.162 -15.251 1.00 0.00 H ATOM 358 HD22 ASN A 22 -25.056 4.268 -14.227 1.00 0.00 H ATOM 359 N LEU A 23 -23.344 6.795 -16.351 1.00 0.00 N ATOM 360 CA LEU A 23 -23.172 7.975 -15.521 1.00 0.00 C ATOM 361 C LEU A 23 -22.914 9.148 -16.462 1.00 0.00 C ATOM 362 O LEU A 23 -21.961 9.115 -17.238 1.00 0.00 O ATOM 363 CB LEU A 23 -22.006 7.786 -14.540 1.00 0.00 C ATOM 364 CG LEU A 23 -22.275 6.727 -13.457 1.00 0.00 C ATOM 365 CD1 LEU A 23 -20.989 6.488 -12.659 1.00 0.00 C ATOM 366 CD2 LEU A 23 -23.392 7.149 -12.495 1.00 0.00 C ATOM 367 H LEU A 23 -22.590 6.122 -16.382 1.00 0.00 H ATOM 368 HA LEU A 23 -24.089 8.161 -14.964 1.00 0.00 H ATOM 369 HB2 LEU A 23 -21.119 7.499 -15.108 1.00 0.00 H ATOM 370 HB3 LEU A 23 -21.801 8.740 -14.051 1.00 0.00 H ATOM 371 HG LEU A 23 -22.561 5.785 -13.923 1.00 0.00 H ATOM 372 HD11 LEU A 23 -20.667 7.416 -12.185 1.00 0.00 H ATOM 373 HD12 LEU A 23 -21.163 5.733 -11.892 1.00 0.00 H ATOM 374 HD13 LEU A 23 -20.204 6.133 -13.325 1.00 0.00 H ATOM 375 HD21 LEU A 23 -23.172 8.128 -12.070 1.00 0.00 H ATOM 376 HD22 LEU A 23 -24.350 7.184 -13.011 1.00 0.00 H ATOM 377 HD23 LEU A 23 -23.473 6.422 -11.686 1.00 0.00 H ATOM 378 N ASN A 24 -23.777 10.169 -16.411 1.00 0.00 N ATOM 379 CA ASN A 24 -23.684 11.319 -17.299 1.00 0.00 C ATOM 380 C ASN A 24 -22.532 12.239 -16.883 1.00 0.00 C ATOM 381 O ASN A 24 -21.856 11.987 -15.886 1.00 0.00 O ATOM 382 CB ASN A 24 -25.040 12.040 -17.381 1.00 0.00 C ATOM 383 CG ASN A 24 -25.489 12.676 -16.064 1.00 0.00 C ATOM 384 OD1 ASN A 24 -24.710 13.339 -15.386 1.00 0.00 O ATOM 385 ND2 ASN A 24 -26.758 12.485 -15.698 1.00 0.00 N ATOM 386 H ASN A 24 -24.531 10.138 -15.736 1.00 0.00 H ATOM 387 HA ASN A 24 -23.465 10.955 -18.305 1.00 0.00 H ATOM 388 HB2 ASN A 24 -24.988 12.825 -18.136 1.00 0.00 H ATOM 389 HB3 ASN A 24 -25.788 11.315 -17.706 1.00 0.00 H ATOM 390 HD21 ASN A 24 -27.375 11.932 -16.274 1.00 0.00 H ATOM 391 HD22 ASN A 24 -27.094 12.889 -14.836 1.00 0.00 H ATOM 392 N GLU A 25 -22.313 13.308 -17.657 1.00 0.00 N ATOM 393 CA GLU A 25 -21.233 14.259 -17.440 1.00 0.00 C ATOM 394 C GLU A 25 -21.276 14.854 -16.029 1.00 0.00 C ATOM 395 O GLU A 25 -20.246 14.904 -15.363 1.00 0.00 O ATOM 396 CB GLU A 25 -21.292 15.350 -18.518 1.00 0.00 C ATOM 397 CG GLU A 25 -20.073 16.278 -18.450 1.00 0.00 C ATOM 398 CD GLU A 25 -20.103 17.306 -19.577 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.751 18.355 -19.372 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.480 17.024 -20.623 1.00 0.00 O ATOM 401 H GLU A 25 -22.911 13.457 -18.456 1.00 0.00 H ATOM 402 HA GLU A 25 -20.291 13.722 -17.559 1.00 0.00 H ATOM 403 HB2 GLU A 25 -21.307 14.874 -19.500 1.00 0.00 H ATOM 404 HB3 GLU A 25 -22.204 15.938 -18.401 1.00 0.00 H ATOM 405 HG2 GLU A 25 -20.058 16.807 -17.497 1.00 0.00 H ATOM 406 HG3 GLU A 25 -19.163 15.684 -18.536 1.00 0.00 H ATOM 407 N GLU A 26 -22.453 15.301 -15.573 1.00 0.00 N ATOM 408 CA GLU A 26 -22.619 15.914 -14.261 1.00 0.00 C ATOM 409 C GLU A 26 -22.220 14.936 -13.151 1.00 0.00 C ATOM 410 O GLU A 26 -21.398 15.278 -12.303 1.00 0.00 O ATOM 411 CB GLU A 26 -24.063 16.410 -14.097 1.00 0.00 C ATOM 412 CG GLU A 26 -24.250 17.193 -12.792 1.00 0.00 C ATOM 413 CD GLU A 26 -25.683 17.702 -12.661 1.00 0.00 C ATOM 414 OE1 GLU A 26 -26.528 16.907 -12.196 1.00 0.00 O ATOM 415 OE2 GLU A 26 -25.908 18.874 -13.032 1.00 0.00 O ATOM 416 H GLU A 26 -23.272 15.200 -16.154 1.00 0.00 H ATOM 417 HA GLU A 26 -21.959 16.782 -14.212 1.00 0.00 H ATOM 418 HB2 GLU A 26 -24.307 17.068 -14.933 1.00 0.00 H ATOM 419 HB3 GLU A 26 -24.753 15.567 -14.104 1.00 0.00 H ATOM 420 HG2 GLU A 26 -24.032 16.552 -11.937 1.00 0.00 H ATOM 421 HG3 GLU A 26 -23.564 18.041 -12.775 1.00 0.00 H ATOM 422 N GLN A 27 -22.794 13.726 -13.168 1.00 0.00 N ATOM 423 CA GLN A 27 -22.505 12.671 -12.203 1.00 0.00 C ATOM 424 C GLN A 27 -21.006 12.377 -12.161 1.00 0.00 C ATOM 425 O GLN A 27 -20.400 12.382 -11.092 1.00 0.00 O ATOM 426 CB GLN A 27 -23.276 11.397 -12.573 1.00 0.00 C ATOM 427 CG GLN A 27 -24.791 11.559 -12.420 1.00 0.00 C ATOM 428 CD GLN A 27 -25.513 10.305 -12.904 1.00 0.00 C ATOM 429 OE1 GLN A 27 -25.673 10.105 -14.106 1.00 0.00 O ATOM 430 NE2 GLN A 27 -25.949 9.454 -11.975 1.00 0.00 N ATOM 431 H GLN A 27 -23.449 13.518 -13.910 1.00 0.00 H ATOM 432 HA GLN A 27 -22.825 12.999 -11.213 1.00 0.00 H ATOM 433 HB2 GLN A 27 -23.047 11.120 -13.603 1.00 0.00 H ATOM 434 HB3 GLN A 27 -22.952 10.588 -11.916 1.00 0.00 H ATOM 435 HG2 GLN A 27 -25.030 11.749 -11.373 1.00 0.00 H ATOM 436 HG3 GLN A 27 -25.140 12.407 -13.007 1.00 0.00 H ATOM 437 HE21 GLN A 27 -25.797 9.648 -10.996 1.00 0.00 H ATOM 438 HE22 GLN A 27 -26.430 8.612 -12.257 1.00 0.00 H ATOM 439 N ARG A 28 -20.420 12.127 -13.337 1.00 0.00 N ATOM 440 CA ARG A 28 -19.007 11.842 -13.508 1.00 0.00 C ATOM 441 C ARG A 28 -18.155 12.943 -12.880 1.00 0.00 C ATOM 442 O ARG A 28 -17.422 12.673 -11.935 1.00 0.00 O ATOM 443 CB ARG A 28 -18.727 11.630 -15.000 1.00 0.00 C ATOM 444 CG ARG A 28 -17.240 11.644 -15.385 1.00 0.00 C ATOM 445 CD ARG A 28 -16.982 11.151 -16.820 1.00 0.00 C ATOM 446 NE ARG A 28 -18.119 11.385 -17.724 1.00 0.00 N ATOM 447 CZ ARG A 28 -19.097 10.505 -18.001 1.00 0.00 C ATOM 448 NH1 ARG A 28 -19.095 9.271 -17.475 1.00 0.00 N ATOM 449 NH2 ARG A 28 -20.102 10.866 -18.810 1.00 0.00 N ATOM 450 H ARG A 28 -20.993 12.143 -14.171 1.00 0.00 H ATOM 451 HA ARG A 28 -18.789 10.907 -12.992 1.00 0.00 H ATOM 452 HB2 ARG A 28 -19.165 10.667 -15.259 1.00 0.00 H ATOM 453 HB3 ARG A 28 -19.228 12.413 -15.570 1.00 0.00 H ATOM 454 HG2 ARG A 28 -16.874 12.668 -15.309 1.00 0.00 H ATOM 455 HG3 ARG A 28 -16.672 11.021 -14.692 1.00 0.00 H ATOM 456 HD2 ARG A 28 -16.111 11.675 -17.214 1.00 0.00 H ATOM 457 HD3 ARG A 28 -16.735 10.093 -16.809 1.00 0.00 H ATOM 458 HE ARG A 28 -18.165 12.297 -18.156 1.00 0.00 H ATOM 459 HH11 ARG A 28 -18.360 8.975 -16.846 1.00 0.00 H ATOM 460 HH12 ARG A 28 -19.863 8.641 -17.668 1.00 0.00 H ATOM 461 HH21 ARG A 28 -20.120 11.787 -19.224 1.00 0.00 H ATOM 462 HH22 ARG A 28 -20.860 10.219 -18.981 1.00 0.00 H ATOM 463 N ASN A 29 -18.254 14.177 -13.385 1.00 0.00 N ATOM 464 CA ASN A 29 -17.443 15.294 -12.916 1.00 0.00 C ATOM 465 C ASN A 29 -17.618 15.540 -11.415 1.00 0.00 C ATOM 466 O ASN A 29 -16.643 15.871 -10.744 1.00 0.00 O ATOM 467 CB ASN A 29 -17.742 16.561 -13.727 1.00 0.00 C ATOM 468 CG ASN A 29 -17.050 16.537 -15.091 1.00 0.00 C ATOM 469 OD1 ASN A 29 -16.019 17.179 -15.274 1.00 0.00 O ATOM 470 ND2 ASN A 29 -17.605 15.801 -16.054 1.00 0.00 N ATOM 471 H ASN A 29 -18.908 14.345 -14.136 1.00 0.00 H ATOM 472 HA ASN A 29 -16.394 15.033 -13.078 1.00 0.00 H ATOM 473 HB2 ASN A 29 -18.819 16.693 -13.845 1.00 0.00 H ATOM 474 HB3 ASN A 29 -17.355 17.423 -13.180 1.00 0.00 H ATOM 475 HD21 ASN A 29 -18.463 15.298 -15.875 1.00 0.00 H ATOM 476 HD22 ASN A 29 -17.170 15.761 -16.964 1.00 0.00 H ATOM 477 N ALA A 30 -18.835 15.370 -10.881 1.00 0.00 N ATOM 478 CA ALA A 30 -19.093 15.495 -9.452 1.00 0.00 C ATOM 479 C ALA A 30 -18.269 14.477 -8.656 1.00 0.00 C ATOM 480 O ALA A 30 -17.582 14.856 -7.709 1.00 0.00 O ATOM 481 CB ALA A 30 -20.590 15.348 -9.167 1.00 0.00 C ATOM 482 H ALA A 30 -19.611 15.117 -11.480 1.00 0.00 H ATOM 483 HA ALA A 30 -18.797 16.498 -9.138 1.00 0.00 H ATOM 484 HB1 ALA A 30 -21.143 16.120 -9.702 1.00 0.00 H ATOM 485 HB2 ALA A 30 -20.946 14.368 -9.483 1.00 0.00 H ATOM 486 HB3 ALA A 30 -20.770 15.463 -8.098 1.00 0.00 H ATOM 487 N LYS A 31 -18.326 13.195 -9.044 1.00 0.00 N ATOM 488 CA LYS A 31 -17.551 12.137 -8.405 1.00 0.00 C ATOM 489 C LYS A 31 -16.053 12.438 -8.494 1.00 0.00 C ATOM 490 O LYS A 31 -15.376 12.447 -7.470 1.00 0.00 O ATOM 491 CB LYS A 31 -17.870 10.769 -9.026 1.00 0.00 C ATOM 492 CG LYS A 31 -19.276 10.280 -8.650 1.00 0.00 C ATOM 493 CD LYS A 31 -19.642 8.975 -9.372 1.00 0.00 C ATOM 494 CE LYS A 31 -18.901 7.757 -8.804 1.00 0.00 C ATOM 495 NZ LYS A 31 -19.183 6.546 -9.595 1.00 0.00 N ATOM 496 H LYS A 31 -18.908 12.945 -9.835 1.00 0.00 H ATOM 497 HA LYS A 31 -17.824 12.098 -7.349 1.00 0.00 H ATOM 498 HB2 LYS A 31 -17.779 10.829 -10.110 1.00 0.00 H ATOM 499 HB3 LYS A 31 -17.138 10.052 -8.655 1.00 0.00 H ATOM 500 HG2 LYS A 31 -19.341 10.133 -7.571 1.00 0.00 H ATOM 501 HG3 LYS A 31 -20.004 11.040 -8.934 1.00 0.00 H ATOM 502 HD2 LYS A 31 -20.713 8.805 -9.256 1.00 0.00 H ATOM 503 HD3 LYS A 31 -19.427 9.082 -10.436 1.00 0.00 H ATOM 504 HE2 LYS A 31 -17.824 7.920 -8.812 1.00 0.00 H ATOM 505 HE3 LYS A 31 -19.220 7.588 -7.775 1.00 0.00 H ATOM 506 HZ1 LYS A 31 -20.176 6.362 -9.589 1.00 0.00 H ATOM 507 HZ2 LYS A 31 -18.872 6.684 -10.546 1.00 0.00 H ATOM 508 HZ3 LYS A 31 -18.694 5.758 -9.195 1.00 0.00 H ATOM 509 N ILE A 32 -15.544 12.692 -9.707 1.00 0.00 N ATOM 510 CA ILE A 32 -14.142 13.010 -9.964 1.00 0.00 C ATOM 511 C ILE A 32 -13.666 14.138 -9.040 1.00 0.00 C ATOM 512 O ILE A 32 -12.643 13.994 -8.374 1.00 0.00 O ATOM 513 CB ILE A 32 -13.952 13.364 -11.455 1.00 0.00 C ATOM 514 CG1 ILE A 32 -14.237 12.184 -12.408 1.00 0.00 C ATOM 515 CG2 ILE A 32 -12.555 13.934 -11.736 1.00 0.00 C ATOM 516 CD1 ILE A 32 -13.255 11.015 -12.316 1.00 0.00 C ATOM 517 H ILE A 32 -16.171 12.676 -10.499 1.00 0.00 H ATOM 518 HA ILE A 32 -13.544 12.129 -9.733 1.00 0.00 H ATOM 519 HB ILE A 32 -14.665 14.150 -11.701 1.00 0.00 H ATOM 520 HG12 ILE A 32 -15.222 11.773 -12.214 1.00 0.00 H ATOM 521 HG13 ILE A 32 -14.225 12.558 -13.433 1.00 0.00 H ATOM 522 HG21 ILE A 32 -11.792 13.265 -11.344 1.00 0.00 H ATOM 523 HG22 ILE A 32 -12.413 14.054 -12.810 1.00 0.00 H ATOM 524 HG23 ILE A 32 -12.443 14.913 -11.269 1.00 0.00 H ATOM 525 HD11 ILE A 32 -12.236 11.340 -12.521 1.00 0.00 H ATOM 526 HD12 ILE A 32 -13.313 10.555 -11.332 1.00 0.00 H ATOM 527 HD13 ILE A 32 -13.540 10.269 -13.058 1.00 0.00 H ATOM 528 N LYS A 33 -14.412 15.249 -8.993 1.00 0.00 N ATOM 529 CA LYS A 33 -14.094 16.404 -8.164 1.00 0.00 C ATOM 530 C LYS A 33 -14.027 16.017 -6.685 1.00 0.00 C ATOM 531 O LYS A 33 -13.045 16.334 -6.016 1.00 0.00 O ATOM 532 CB LYS A 33 -15.125 17.513 -8.417 1.00 0.00 C ATOM 533 CG LYS A 33 -14.801 18.780 -7.617 1.00 0.00 C ATOM 534 CD LYS A 33 -15.778 19.905 -7.981 1.00 0.00 C ATOM 535 CE LYS A 33 -15.561 21.149 -7.112 1.00 0.00 C ATOM 536 NZ LYS A 33 -14.224 21.736 -7.308 1.00 0.00 N ATOM 537 H LYS A 33 -15.245 15.300 -9.564 1.00 0.00 H ATOM 538 HA LYS A 33 -13.115 16.777 -8.470 1.00 0.00 H ATOM 539 HB2 LYS A 33 -15.116 17.759 -9.480 1.00 0.00 H ATOM 540 HB3 LYS A 33 -16.121 17.161 -8.147 1.00 0.00 H ATOM 541 HG2 LYS A 33 -14.884 18.574 -6.549 1.00 0.00 H ATOM 542 HG3 LYS A 33 -13.780 19.090 -7.843 1.00 0.00 H ATOM 543 HD2 LYS A 33 -15.655 20.170 -9.033 1.00 0.00 H ATOM 544 HD3 LYS A 33 -16.799 19.552 -7.828 1.00 0.00 H ATOM 545 HE2 LYS A 33 -16.309 21.897 -7.376 1.00 0.00 H ATOM 546 HE3 LYS A 33 -15.685 20.888 -6.060 1.00 0.00 H ATOM 547 HZ1 LYS A 33 -14.102 21.980 -8.280 1.00 0.00 H ATOM 548 HZ2 LYS A 33 -14.135 22.567 -6.740 1.00 0.00 H ATOM 549 HZ3 LYS A 33 -13.517 21.069 -7.036 1.00 0.00 H ATOM 550 N SER A 34 -15.063 15.337 -6.179 1.00 0.00 N ATOM 551 CA SER A 34 -15.145 14.910 -4.787 1.00 0.00 C ATOM 552 C SER A 34 -13.958 14.021 -4.402 1.00 0.00 C ATOM 553 O SER A 34 -13.397 14.169 -3.318 1.00 0.00 O ATOM 554 CB SER A 34 -16.467 14.175 -4.543 1.00 0.00 C ATOM 555 OG SER A 34 -17.562 15.010 -4.858 1.00 0.00 O ATOM 556 H SER A 34 -15.837 15.103 -6.788 1.00 0.00 H ATOM 557 HA SER A 34 -15.131 15.799 -4.154 1.00 0.00 H ATOM 558 HB2 SER A 34 -16.517 13.272 -5.152 1.00 0.00 H ATOM 559 HB3 SER A 34 -16.533 13.895 -3.491 1.00 0.00 H ATOM 560 HG SER A 34 -17.572 15.161 -5.808 1.00 0.00 H ATOM 561 N ILE A 35 -13.579 13.101 -5.293 1.00 0.00 N ATOM 562 CA ILE A 35 -12.486 12.165 -5.080 1.00 0.00 C ATOM 563 C ILE A 35 -11.153 12.908 -5.020 1.00 0.00 C ATOM 564 O ILE A 35 -10.372 12.674 -4.103 1.00 0.00 O ATOM 565 CB ILE A 35 -12.518 11.082 -6.171 1.00 0.00 C ATOM 566 CG1 ILE A 35 -13.750 10.185 -5.941 1.00 0.00 C ATOM 567 CG2 ILE A 35 -11.217 10.265 -6.158 1.00 0.00 C ATOM 568 CD1 ILE A 35 -14.101 9.347 -7.172 1.00 0.00 C ATOM 569 H ILE A 35 -14.085 13.034 -6.167 1.00 0.00 H ATOM 570 HA ILE A 35 -12.633 11.676 -4.117 1.00 0.00 H ATOM 571 HB ILE A 35 -12.604 11.565 -7.145 1.00 0.00 H ATOM 572 HG12 ILE A 35 -13.579 9.527 -5.091 1.00 0.00 H ATOM 573 HG13 ILE A 35 -14.621 10.795 -5.711 1.00 0.00 H ATOM 574 HG21 ILE A 35 -10.991 9.942 -5.143 1.00 0.00 H ATOM 575 HG22 ILE A 35 -11.304 9.392 -6.799 1.00 0.00 H ATOM 576 HG23 ILE A 35 -10.389 10.868 -6.529 1.00 0.00 H ATOM 577 HD11 ILE A 35 -14.134 9.979 -8.061 1.00 0.00 H ATOM 578 HD12 ILE A 35 -13.362 8.565 -7.307 1.00 0.00 H ATOM 579 HD13 ILE A 35 -15.076 8.882 -7.026 1.00 0.00 H ATOM 580 N ARG A 36 -10.891 13.797 -5.985 1.00 0.00 N ATOM 581 CA ARG A 36 -9.675 14.603 -6.013 1.00 0.00 C ATOM 582 C ARG A 36 -9.576 15.502 -4.778 1.00 0.00 C ATOM 583 O ARG A 36 -8.485 15.685 -4.243 1.00 0.00 O ATOM 584 CB ARG A 36 -9.621 15.428 -7.305 1.00 0.00 C ATOM 585 CG ARG A 36 -9.352 14.514 -8.504 1.00 0.00 C ATOM 586 CD ARG A 36 -9.435 15.288 -9.820 1.00 0.00 C ATOM 587 NE ARG A 36 -9.206 14.392 -10.959 1.00 0.00 N ATOM 588 CZ ARG A 36 -9.332 14.739 -12.250 1.00 0.00 C ATOM 589 NH1 ARG A 36 -9.661 15.992 -12.595 1.00 0.00 N ATOM 590 NH2 ARG A 36 -9.130 13.819 -13.202 1.00 0.00 N ATOM 591 H ARG A 36 -11.571 13.933 -6.722 1.00 0.00 H ATOM 592 HA ARG A 36 -8.814 13.933 -6.002 1.00 0.00 H ATOM 593 HB2 ARG A 36 -10.563 15.961 -7.439 1.00 0.00 H ATOM 594 HB3 ARG A 36 -8.811 16.156 -7.237 1.00 0.00 H ATOM 595 HG2 ARG A 36 -8.358 14.074 -8.407 1.00 0.00 H ATOM 596 HG3 ARG A 36 -10.086 13.712 -8.522 1.00 0.00 H ATOM 597 HD2 ARG A 36 -10.427 15.735 -9.903 1.00 0.00 H ATOM 598 HD3 ARG A 36 -8.683 16.078 -9.823 1.00 0.00 H ATOM 599 HE ARG A 36 -8.944 13.442 -10.741 1.00 0.00 H ATOM 600 HH11 ARG A 36 -9.813 16.689 -11.881 1.00 0.00 H ATOM 601 HH12 ARG A 36 -9.756 16.242 -13.569 1.00 0.00 H ATOM 602 HH21 ARG A 36 -8.887 12.872 -12.949 1.00 0.00 H ATOM 603 HH22 ARG A 36 -9.222 14.068 -14.176 1.00 0.00 H ATOM 604 N ASP A 37 -10.710 16.053 -4.326 1.00 0.00 N ATOM 605 CA ASP A 37 -10.789 16.844 -3.106 1.00 0.00 C ATOM 606 C ASP A 37 -10.425 15.993 -1.883 1.00 0.00 C ATOM 607 O ASP A 37 -9.683 16.457 -1.019 1.00 0.00 O ATOM 608 CB ASP A 37 -12.190 17.452 -2.981 1.00 0.00 C ATOM 609 CG ASP A 37 -12.314 18.333 -1.742 1.00 0.00 C ATOM 610 OD1 ASP A 37 -11.850 19.492 -1.819 1.00 0.00 O ATOM 611 OD2 ASP A 37 -12.869 17.834 -0.739 1.00 0.00 O ATOM 612 H ASP A 37 -11.570 15.886 -4.832 1.00 0.00 H ATOM 613 HA ASP A 37 -10.072 17.664 -3.183 1.00 0.00 H ATOM 614 HB2 ASP A 37 -12.398 18.059 -3.863 1.00 0.00 H ATOM 615 HB3 ASP A 37 -12.935 16.660 -2.926 1.00 0.00 H ATOM 616 N ASP A 38 -10.946 14.760 -1.819 1.00 0.00 N ATOM 617 CA ASP A 38 -10.610 13.777 -0.797 1.00 0.00 C ATOM 618 C ASP A 38 -9.385 12.969 -1.249 1.00 0.00 C ATOM 619 O ASP A 38 -9.458 11.721 -1.226 1.00 0.00 O ATOM 620 CB ASP A 38 -11.848 12.902 -0.531 1.00 0.00 C ATOM 621 CG ASP A 38 -11.646 11.877 0.587 1.00 0.00 C ATOM 622 OD1 ASP A 38 -11.007 12.241 1.598 1.00 0.00 O ATOM 623 OD2 ASP A 38 -12.297 10.814 0.491 1.00 0.00 O ATOM 624 OXT ASP A 38 -8.380 13.617 -1.613 1.00 0.00 O ATOM 625 H ASP A 38 -11.556 14.454 -2.566 1.00 0.00 H ATOM 626 HA ASP A 38 -10.354 14.293 0.130 1.00 0.00 H ATOM 627 HB2 ASP A 38 -12.679 13.549 -0.247 1.00 0.00 H ATOM 628 HB3 ASP A 38 -12.119 12.382 -1.450 1.00 0.00 H TER 629 ASP A 38 MASTER 104 0 0 2 0 0 0 6 628 1 0 3 END