HEADER VIRAL PROTEIN 11-MAY-99 2GP8 TITLE NMR SOLUTION STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN TITLE 2 OF BACTERIOPHAGE P22 SCAFFOLDING PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (SCAFFOLDING PROTEIN); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL FUNCTIONAL DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; SOURCE 3 ORGANISM_TAXID: 10754; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: NF1829; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3A KEYWDS SCAFFOLDING PROTEIN, COAT PROTEIN-BINDING DOMAIN, HELIX- KEYWDS 2 LOOP-HELIX MOTIF, VIRAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Y.SUN,M.H.PARKER,P.WEIGELE,S.CASJENS,P.E.PREVELIGE JR., AUTHOR 2 N.R.KRISHNA REVDAT 4 24-FEB-09 2GP8 1 VERSN REVDAT 3 06-JAN-04 2GP8 3 ATOM REVDAT 2 24-APR-00 2GP8 1 JRNL HEADER REVDAT 1 17-MAY-99 2GP8 0 JRNL AUTH Y.SUN,M.H.PARKER,P.WEIGELE,S.CASJENS, JRNL AUTH 2 P.E.PREVELIGE JR.,N.R.KRISHNA JRNL TITL STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN OF JRNL TITL 2 THE SCAFFOLDING PROTEIN FROM A DOUBLE-STRANDED DNA JRNL TITL 3 VIRUS. JRNL REF J.MOL.BIOL. V. 297 1195 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10764583 JRNL DOI 10.1006/JMBI.2000.3620 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. THE REFINEMENT WAS CARRIED OUT ON THE REMARK 3 C-TERMINAL 40-RESIDUE SEGMENT. REMARK 4 REMARK 4 2GP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAY-99. REMARK 100 THE RCSB ID CODE IS RCSB001047. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 4.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 10% WATER/90% D2O, 99.9% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY, 15N REMARK 210 EDITED 3D NOESY-HSQC, TOCSYHMQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AM600, AVANCE600, INOVA600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: AVERAGE STRUCTURE. EXPERIMENTS WERE DONE ON THE C- REMARK 210 TERMINAL 67-RESIDUE (238-303 PLUS ALANINE AT THE N-TERNINUS) REMARK 210 SCAFFOLDING PROTEIN. 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 THR A 265 30.83 -88.84 REMARK 500 VAL A 268 176.89 -48.36 REMARK 500 SER A 269 -37.52 -33.77 REMARK 500 ALA A 282 -70.40 -53.64 REMARK 500 ALA A 284 -78.65 -74.99 REMARK 500 SER A 285 44.79 -84.86 REMARK 500 ILE A 302 102.94 -47.35 REMARK 500 REMARK 500 REMARK: NULL DBREF 2GP8 A 264 303 UNP P26748 VG08_BPP22 264 303 SEQRES 1 A 40 ILE THR GLY ASP VAL SER ALA ALA ASN LYS ASP ALA ILE SEQRES 2 A 40 ARG LYS GLN MET ASP ALA ALA ALA SER LYS GLY ASP VAL SEQRES 3 A 40 GLU THR TYR ARG LYS LEU LYS ALA LYS LEU LYS GLY ILE SEQRES 4 A 40 ARG HELIX 1 1 VAL A 268 SER A 285 1 18 HELIX 2 2 ASP A 288 ILE A 302 1 15 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 ILE A 264 -15.859 3.755 12.962 1.00 7.03 N ATOM 2 CA ILE A 264 -16.471 2.634 12.190 1.00 6.37 C ATOM 3 C ILE A 264 -15.377 1.808 11.508 1.00 5.32 C ATOM 4 O ILE A 264 -14.389 2.337 11.037 1.00 5.05 O ATOM 5 CB ILE A 264 -17.365 3.307 11.148 1.00 6.87 C ATOM 6 CG1 ILE A 264 -18.097 2.236 10.335 1.00 7.49 C ATOM 7 CG2 ILE A 264 -16.506 4.159 10.213 1.00 7.18 C ATOM 8 CD1 ILE A 264 -18.914 2.907 9.231 1.00 8.17 C ATOM 9 H1 ILE A 264 -14.870 3.880 12.667 1.00 7.29 H ATOM 10 H2 ILE A 264 -15.892 3.533 13.979 1.00 7.27 H ATOM 11 H3 ILE A 264 -16.385 4.634 12.782 1.00 7.29 H ATOM 12 HA ILE A 264 -17.065 2.011 12.839 1.00 6.67 H ATOM 13 HB ILE A 264 -18.086 3.938 11.648 1.00 6.98 H ATOM 14 HG12 ILE A 264 -17.375 1.565 9.894 1.00 7.79 H ATOM 15 HG13 ILE A 264 -18.758 1.680 10.983 1.00 7.47 H ATOM 16 HG21 ILE A 264 -15.607 4.465 10.729 1.00 7.25 H ATOM 17 HG22 ILE A 264 -17.063 5.034 9.911 1.00 7.43 H ATOM 18 HG23 ILE A 264 -16.242 3.581 9.341 1.00 7.40 H ATOM 19 HD11 ILE A 264 -18.396 2.806 8.289 1.00 8.48 H ATOM 20 HD12 ILE A 264 -19.040 3.954 9.462 1.00 8.31 H ATOM 21 HD13 ILE A 264 -19.883 2.434 9.161 1.00 8.46 H ATOM 22 N THR A 265 -15.542 0.515 11.458 1.00 5.13 N ATOM 23 CA THR A 265 -14.509 -0.346 10.814 1.00 4.55 C ATOM 24 C THR A 265 -14.794 -0.498 9.317 1.00 3.66 C ATOM 25 O THR A 265 -14.485 -1.509 8.718 1.00 4.05 O ATOM 26 CB THR A 265 -14.625 -1.697 11.525 1.00 5.24 C ATOM 27 OG1 THR A 265 -13.456 -2.464 11.274 1.00 5.31 O ATOM 28 CG2 THR A 265 -15.853 -2.450 11.010 1.00 5.42 C ATOM 29 H THR A 265 -16.342 0.108 11.847 1.00 5.66 H ATOM 30 HA THR A 265 -13.528 0.068 10.971 1.00 4.81 H ATOM 31 HB THR A 265 -14.727 -1.536 12.587 1.00 6.01 H ATOM 32 HG1 THR A 265 -12.901 -2.423 12.056 1.00 5.45 H ATOM 33 HG21 THR A 265 -16.620 -1.741 10.735 1.00 5.72 H ATOM 34 HG22 THR A 265 -16.228 -3.102 11.786 1.00 5.47 H ATOM 35 HG23 THR A 265 -15.579 -3.037 10.146 1.00 5.63 H ATOM 36 N GLY A 266 -15.380 0.496 8.708 1.00 2.96 N ATOM 37 CA GLY A 266 -15.683 0.399 7.251 1.00 2.63 C ATOM 38 C GLY A 266 -14.515 0.968 6.445 1.00 1.79 C ATOM 39 O GLY A 266 -14.696 1.784 5.564 1.00 2.11 O ATOM 40 H GLY A 266 -15.624 1.303 9.207 1.00 3.13 H ATOM 41 HA2 GLY A 266 -15.837 -0.637 6.985 1.00 3.15 H ATOM 42 HA3 GLY A 266 -16.576 0.964 7.031 1.00 3.16 H ATOM 43 N ASP A 267 -13.315 0.545 6.738 1.00 1.52 N ATOM 44 CA ASP A 267 -12.139 1.063 5.987 1.00 1.73 C ATOM 45 C ASP A 267 -11.889 0.211 4.740 1.00 1.65 C ATOM 46 O ASP A 267 -10.798 -0.274 4.515 1.00 1.65 O ATOM 47 CB ASP A 267 -10.967 0.953 6.961 1.00 2.57 C ATOM 48 CG ASP A 267 -10.639 2.337 7.524 1.00 3.33 C ATOM 49 OD1 ASP A 267 -11.279 3.290 7.110 1.00 3.82 O ATOM 50 OD2 ASP A 267 -9.753 2.421 8.358 1.00 3.89 O ATOM 51 H ASP A 267 -13.188 -0.112 7.452 1.00 1.93 H ATOM 52 HA ASP A 267 -12.295 2.093 5.715 1.00 2.07 H ATOM 53 HB2 ASP A 267 -11.232 0.288 7.769 1.00 2.75 H ATOM 54 HB3 ASP A 267 -10.104 0.564 6.442 1.00 3.07 H ATOM 55 N VAL A 268 -12.894 0.030 3.926 1.00 1.73 N ATOM 56 CA VAL A 268 -12.719 -0.784 2.689 1.00 1.78 C ATOM 57 C VAL A 268 -11.460 -0.331 1.944 1.00 1.59 C ATOM 58 O VAL A 268 -10.800 0.603 2.354 1.00 1.46 O ATOM 59 CB VAL A 268 -13.977 -0.502 1.863 1.00 2.01 C ATOM 60 CG1 VAL A 268 -13.944 -1.320 0.571 1.00 2.65 C ATOM 61 CG2 VAL A 268 -15.215 -0.888 2.676 1.00 2.40 C ATOM 62 H VAL A 268 -13.764 0.432 4.127 1.00 1.86 H ATOM 63 HA VAL A 268 -12.661 -1.834 2.931 1.00 1.91 H ATOM 64 HB VAL A 268 -14.018 0.550 1.620 1.00 2.32 H ATOM 65 HG11 VAL A 268 -14.934 -1.354 0.141 1.00 2.94 H ATOM 66 HG12 VAL A 268 -13.611 -2.324 0.790 1.00 3.07 H ATOM 67 HG13 VAL A 268 -13.263 -0.859 -0.129 1.00 3.12 H ATOM 68 HG21 VAL A 268 -15.027 -1.814 3.200 1.00 2.88 H ATOM 69 HG22 VAL A 268 -16.057 -1.015 2.012 1.00 2.65 H ATOM 70 HG23 VAL A 268 -15.434 -0.108 3.390 1.00 2.84 H ATOM 71 N SER A 269 -11.123 -0.989 0.860 1.00 1.63 N ATOM 72 CA SER A 269 -9.903 -0.607 0.081 1.00 1.54 C ATOM 73 C SER A 269 -9.682 0.907 0.139 1.00 1.44 C ATOM 74 O SER A 269 -8.566 1.378 0.227 1.00 1.39 O ATOM 75 CB SER A 269 -10.195 -1.053 -1.351 1.00 1.69 C ATOM 76 OG SER A 269 -11.448 -0.521 -1.763 1.00 1.91 O ATOM 77 H SER A 269 -11.670 -1.741 0.560 1.00 1.78 H ATOM 78 HA SER A 269 -9.038 -1.128 0.459 1.00 1.54 H ATOM 79 HB2 SER A 269 -9.423 -0.690 -2.009 1.00 1.78 H ATOM 80 HB3 SER A 269 -10.221 -2.134 -1.391 1.00 1.78 H ATOM 81 HG SER A 269 -11.915 -1.205 -2.248 1.00 2.05 H ATOM 82 N ALA A 270 -10.739 1.670 0.106 1.00 1.51 N ATOM 83 CA ALA A 270 -10.590 3.147 0.176 1.00 1.54 C ATOM 84 C ALA A 270 -9.606 3.509 1.290 1.00 1.43 C ATOM 85 O ALA A 270 -8.555 4.069 1.048 1.00 1.46 O ATOM 86 CB ALA A 270 -11.989 3.670 0.504 1.00 1.69 C ATOM 87 H ALA A 270 -11.630 1.272 0.045 1.00 1.60 H ATOM 88 HA ALA A 270 -10.259 3.537 -0.770 1.00 1.62 H ATOM 89 HB1 ALA A 270 -11.928 4.375 1.320 1.00 2.06 H ATOM 90 HB2 ALA A 270 -12.624 2.844 0.789 1.00 1.98 H ATOM 91 HB3 ALA A 270 -12.404 4.159 -0.364 1.00 2.00 H ATOM 92 N ALA A 271 -9.938 3.183 2.509 1.00 1.39 N ATOM 93 CA ALA A 271 -9.029 3.495 3.639 1.00 1.37 C ATOM 94 C ALA A 271 -7.799 2.587 3.586 1.00 1.29 C ATOM 95 O ALA A 271 -6.674 3.047 3.561 1.00 1.31 O ATOM 96 CB ALA A 271 -9.850 3.216 4.899 1.00 1.46 C ATOM 97 H ALA A 271 -10.783 2.732 2.680 1.00 1.45 H ATOM 98 HA ALA A 271 -8.744 4.528 3.607 1.00 1.42 H ATOM 99 HB1 ALA A 271 -10.858 3.579 4.760 1.00 1.84 H ATOM 100 HB2 ALA A 271 -9.399 3.721 5.741 1.00 1.72 H ATOM 101 HB3 ALA A 271 -9.872 2.153 5.086 1.00 1.85 H ATOM 102 N ASN A 272 -8.006 1.298 3.566 1.00 1.27 N ATOM 103 CA ASN A 272 -6.851 0.357 3.511 1.00 1.26 C ATOM 104 C ASN A 272 -5.840 0.827 2.463 1.00 1.19 C ATOM 105 O ASN A 272 -4.695 1.094 2.770 1.00 1.22 O ATOM 106 CB ASN A 272 -7.454 -0.990 3.111 1.00 1.30 C ATOM 107 CG ASN A 272 -7.265 -1.992 4.253 1.00 1.70 C ATOM 108 OD1 ASN A 272 -6.418 -1.807 5.104 1.00 2.27 O ATOM 109 ND2 ASN A 272 -8.024 -3.052 4.307 1.00 2.06 N ATOM 110 H ASN A 272 -8.921 0.948 3.584 1.00 1.30 H ATOM 111 HA ASN A 272 -6.382 0.278 4.479 1.00 1.35 H ATOM 112 HB2 ASN A 272 -8.508 -0.866 2.910 1.00 1.37 H ATOM 113 HB3 ASN A 272 -6.959 -1.359 2.226 1.00 1.33 H ATOM 114 HD21 ASN A 272 -8.707 -3.202 3.621 1.00 2.33 H ATOM 115 HD22 ASN A 272 -7.910 -3.699 5.035 1.00 2.40 H ATOM 116 N LYS A 273 -6.255 0.935 1.229 1.00 1.18 N ATOM 117 CA LYS A 273 -5.316 1.394 0.168 1.00 1.20 C ATOM 118 C LYS A 273 -4.485 2.569 0.688 1.00 1.22 C ATOM 119 O LYS A 273 -3.272 2.513 0.730 1.00 1.23 O ATOM 120 CB LYS A 273 -6.208 1.837 -0.993 1.00 1.28 C ATOM 121 CG LYS A 273 -5.336 2.184 -2.202 1.00 1.57 C ATOM 122 CD LYS A 273 -6.124 1.938 -3.491 1.00 1.88 C ATOM 123 CE LYS A 273 -5.761 3.007 -4.524 1.00 2.43 C ATOM 124 NZ LYS A 273 -6.920 3.046 -5.459 1.00 2.94 N ATOM 125 H LYS A 273 -7.180 0.718 1.001 1.00 1.20 H ATOM 126 HA LYS A 273 -4.678 0.585 -0.144 1.00 1.21 H ATOM 127 HB2 LYS A 273 -6.885 1.035 -1.253 1.00 1.70 H ATOM 128 HB3 LYS A 273 -6.777 2.707 -0.700 1.00 1.61 H ATOM 129 HG2 LYS A 273 -5.047 3.224 -2.149 1.00 2.10 H ATOM 130 HG3 LYS A 273 -4.453 1.563 -2.198 1.00 2.03 H ATOM 131 HD2 LYS A 273 -5.879 0.960 -3.881 1.00 2.32 H ATOM 132 HD3 LYS A 273 -7.182 1.987 -3.281 1.00 2.22 H ATOM 133 HE2 LYS A 273 -5.631 3.966 -4.041 1.00 2.80 H ATOM 134 HE3 LYS A 273 -4.866 2.728 -5.057 1.00 2.87 H ATOM 135 HZ1 LYS A 273 -7.028 2.119 -5.917 1.00 3.26 H ATOM 136 HZ2 LYS A 273 -6.756 3.775 -6.184 1.00 3.05 H ATOM 137 HZ3 LYS A 273 -7.786 3.271 -4.929 1.00 3.47 H ATOM 138 N ASP A 274 -5.130 3.628 1.093 1.00 1.30 N ATOM 139 CA ASP A 274 -4.381 4.801 1.619 1.00 1.38 C ATOM 140 C ASP A 274 -3.283 4.329 2.576 1.00 1.36 C ATOM 141 O ASP A 274 -2.107 4.476 2.308 1.00 1.38 O ATOM 142 CB ASP A 274 -5.423 5.633 2.366 1.00 1.48 C ATOM 143 CG ASP A 274 -5.007 7.105 2.352 1.00 1.76 C ATOM 144 OD1 ASP A 274 -5.340 7.786 1.396 1.00 2.06 O ATOM 145 OD2 ASP A 274 -4.364 7.527 3.299 1.00 2.29 O ATOM 146 H ASP A 274 -6.107 3.651 1.055 1.00 1.33 H ATOM 147 HA ASP A 274 -3.961 5.372 0.809 1.00 1.42 H ATOM 148 HB2 ASP A 274 -6.383 5.525 1.882 1.00 1.51 H ATOM 149 HB3 ASP A 274 -5.493 5.290 3.387 1.00 1.52 H ATOM 150 N ALA A 275 -3.660 3.759 3.689 1.00 1.39 N ATOM 151 CA ALA A 275 -2.641 3.274 4.659 1.00 1.45 C ATOM 152 C ALA A 275 -1.512 2.559 3.913 1.00 1.36 C ATOM 153 O ALA A 275 -0.390 3.023 3.875 1.00 1.38 O ATOM 154 CB ALA A 275 -3.391 2.297 5.566 1.00 1.51 C ATOM 155 H ALA A 275 -4.612 3.649 3.885 1.00 1.41 H ATOM 156 HA ALA A 275 -2.255 4.094 5.239 1.00 1.56 H ATOM 157 HB1 ALA A 275 -2.941 2.300 6.548 1.00 1.73 H ATOM 158 HB2 ALA A 275 -3.336 1.303 5.148 1.00 1.85 H ATOM 159 HB3 ALA A 275 -4.425 2.598 5.642 1.00 1.90 H ATOM 160 N ILE A 276 -1.802 1.434 3.316 1.00 1.32 N ATOM 161 CA ILE A 276 -0.748 0.695 2.569 1.00 1.30 C ATOM 162 C ILE A 276 0.088 1.674 1.741 1.00 1.20 C ATOM 163 O ILE A 276 1.301 1.613 1.728 1.00 1.17 O ATOM 164 CB ILE A 276 -1.508 -0.268 1.657 1.00 1.35 C ATOM 165 CG1 ILE A 276 -2.163 -1.362 2.503 1.00 1.49 C ATOM 166 CG2 ILE A 276 -0.533 -0.907 0.665 1.00 1.40 C ATOM 167 CD1 ILE A 276 -3.223 -2.086 1.670 1.00 1.53 C ATOM 168 H ILE A 276 -2.712 1.078 3.356 1.00 1.35 H ATOM 169 HA ILE A 276 -0.123 0.143 3.250 1.00 1.37 H ATOM 170 HB ILE A 276 -2.268 0.275 1.114 1.00 1.33 H ATOM 171 HG12 ILE A 276 -1.410 -2.069 2.822 1.00 1.60 H ATOM 172 HG13 ILE A 276 -2.629 -0.917 3.368 1.00 1.71 H ATOM 173 HG21 ILE A 276 -0.435 -1.960 0.885 1.00 1.66 H ATOM 174 HG22 ILE A 276 0.432 -0.430 0.751 1.00 1.90 H ATOM 175 HG23 ILE A 276 -0.909 -0.783 -0.340 1.00 1.67 H ATOM 176 HD11 ILE A 276 -4.015 -1.396 1.418 1.00 1.80 H ATOM 177 HD12 ILE A 276 -3.630 -2.907 2.241 1.00 1.89 H ATOM 178 HD13 ILE A 276 -2.773 -2.464 0.764 1.00 1.93 H ATOM 179 N ARG A 277 -0.553 2.580 1.053 1.00 1.21 N ATOM 180 CA ARG A 277 0.207 3.565 0.232 1.00 1.19 C ATOM 181 C ARG A 277 1.316 4.197 1.076 1.00 1.19 C ATOM 182 O ARG A 277 2.487 4.058 0.784 1.00 1.11 O ATOM 183 CB ARG A 277 -0.822 4.618 -0.180 1.00 1.32 C ATOM 184 CG ARG A 277 -0.924 4.664 -1.706 1.00 1.50 C ATOM 185 CD ARG A 277 -2.362 4.358 -2.131 1.00 1.54 C ATOM 186 NE ARG A 277 -2.291 4.151 -3.604 1.00 1.81 N ATOM 187 CZ ARG A 277 -2.153 5.174 -4.404 1.00 2.24 C ATOM 188 NH1 ARG A 277 -2.080 6.384 -3.917 1.00 2.61 N ATOM 189 NH2 ARG A 277 -2.088 4.987 -5.693 1.00 2.91 N ATOM 190 H ARG A 277 -1.532 2.616 1.080 1.00 1.26 H ATOM 191 HA ARG A 277 0.621 3.089 -0.642 1.00 1.14 H ATOM 192 HB2 ARG A 277 -1.785 4.363 0.237 1.00 1.47 H ATOM 193 HB3 ARG A 277 -0.515 5.586 0.187 1.00 1.67 H ATOM 194 HG2 ARG A 277 -0.645 5.648 -2.056 1.00 2.06 H ATOM 195 HG3 ARG A 277 -0.260 3.928 -2.133 1.00 1.95 H ATOM 196 HD2 ARG A 277 -2.715 3.462 -1.639 1.00 1.94 H ATOM 197 HD3 ARG A 277 -3.007 5.193 -1.905 1.00 2.01 H ATOM 198 HE ARG A 277 -2.347 3.245 -3.974 1.00 2.22 H ATOM 199 HH11 ARG A 277 -2.130 6.531 -2.929 1.00 2.58 H ATOM 200 HH12 ARG A 277 -1.974 7.165 -4.533 1.00 3.25 H ATOM 201 HH21 ARG A 277 -2.144 4.061 -6.067 1.00 3.20 H ATOM 202 HH22 ARG A 277 -1.982 5.769 -6.308 1.00 3.40 H ATOM 203 N LYS A 278 0.957 4.886 2.125 1.00 1.32 N ATOM 204 CA LYS A 278 1.991 5.517 2.989 1.00 1.39 C ATOM 205 C LYS A 278 3.139 4.534 3.227 1.00 1.25 C ATOM 206 O LYS A 278 4.246 4.734 2.768 1.00 1.18 O ATOM 207 CB LYS A 278 1.273 5.835 4.302 1.00 1.60 C ATOM 208 CG LYS A 278 1.626 7.255 4.748 1.00 1.99 C ATOM 209 CD LYS A 278 0.821 7.613 5.999 1.00 2.39 C ATOM 210 CE LYS A 278 -0.111 8.785 5.688 1.00 2.87 C ATOM 211 NZ LYS A 278 0.457 9.937 6.441 1.00 3.63 N ATOM 212 H LYS A 278 0.009 4.984 2.347 1.00 1.41 H ATOM 213 HA LYS A 278 2.354 6.425 2.537 1.00 1.42 H ATOM 214 HB2 LYS A 278 0.205 5.758 4.156 1.00 1.76 H ATOM 215 HB3 LYS A 278 1.584 5.133 5.061 1.00 1.65 H ATOM 216 HG2 LYS A 278 2.682 7.309 4.971 1.00 2.33 H ATOM 217 HG3 LYS A 278 1.388 7.951 3.958 1.00 2.32 H ATOM 218 HD2 LYS A 278 0.237 6.758 6.307 1.00 2.87 H ATOM 219 HD3 LYS A 278 1.496 7.893 6.794 1.00 2.65 H ATOM 220 HE2 LYS A 278 -0.114 8.990 4.626 1.00 3.09 H ATOM 221 HE3 LYS A 278 -1.111 8.573 6.034 1.00 3.19 H ATOM 222 HZ1 LYS A 278 1.482 9.988 6.277 1.00 4.03 H ATOM 223 HZ2 LYS A 278 0.274 9.811 7.458 1.00 3.92 H ATOM 224 HZ3 LYS A 278 0.013 10.819 6.116 1.00 3.95 H ATOM 225 N GLN A 279 2.880 3.470 3.938 1.00 1.27 N ATOM 226 CA GLN A 279 3.951 2.470 4.201 1.00 1.21 C ATOM 227 C GLN A 279 4.755 2.218 2.924 1.00 0.98 C ATOM 228 O GLN A 279 5.968 2.283 2.918 1.00 0.93 O ATOM 229 CB GLN A 279 3.212 1.202 4.629 1.00 1.33 C ATOM 230 CG GLN A 279 3.738 0.736 5.988 1.00 1.60 C ATOM 231 CD GLN A 279 2.692 -0.155 6.660 1.00 2.05 C ATOM 232 OE1 GLN A 279 1.694 -0.500 6.058 1.00 2.61 O ATOM 233 NE2 GLN A 279 2.879 -0.547 7.890 1.00 2.65 N ATOM 234 H GLN A 279 1.982 3.326 4.296 1.00 1.38 H ATOM 235 HA GLN A 279 4.594 2.809 4.995 1.00 1.30 H ATOM 236 HB2 GLN A 279 2.155 1.410 4.703 1.00 1.45 H ATOM 237 HB3 GLN A 279 3.376 0.425 3.896 1.00 1.38 H ATOM 238 HG2 GLN A 279 4.652 0.178 5.847 1.00 1.95 H ATOM 239 HG3 GLN A 279 3.931 1.595 6.613 1.00 2.04 H ATOM 240 HE21 GLN A 279 3.684 -0.270 8.376 1.00 2.87 H ATOM 241 HE22 GLN A 279 2.214 -1.118 8.329 1.00 3.25 H ATOM 242 N MET A 280 4.085 1.934 1.840 1.00 0.90 N ATOM 243 CA MET A 280 4.807 1.681 0.561 1.00 0.74 C ATOM 244 C MET A 280 5.671 2.891 0.198 1.00 0.66 C ATOM 245 O MET A 280 6.877 2.795 0.098 1.00 0.59 O ATOM 246 CB MET A 280 3.707 1.473 -0.481 1.00 0.84 C ATOM 247 CG MET A 280 3.424 -0.022 -0.634 1.00 1.10 C ATOM 248 SD MET A 280 3.472 -0.469 -2.388 1.00 1.63 S ATOM 249 CE MET A 280 2.170 0.658 -2.944 1.00 1.29 C ATOM 250 H MET A 280 3.107 1.889 1.867 1.00 1.00 H ATOM 251 HA MET A 280 5.414 0.793 0.639 1.00 0.73 H ATOM 252 HB2 MET A 280 2.808 1.980 -0.160 1.00 1.28 H ATOM 253 HB3 MET A 280 4.029 1.875 -1.429 1.00 1.38 H ATOM 254 HG2 MET A 280 4.172 -0.588 -0.097 1.00 1.56 H ATOM 255 HG3 MET A 280 2.447 -0.247 -0.232 1.00 1.55 H ATOM 256 HE1 MET A 280 2.413 1.026 -3.932 1.00 1.67 H ATOM 257 HE2 MET A 280 2.095 1.489 -2.261 1.00 1.66 H ATOM 258 HE3 MET A 280 1.227 0.131 -2.972 1.00 1.81 H ATOM 259 N ASP A 281 5.063 4.030 0.003 1.00 0.83 N ATOM 260 CA ASP A 281 5.854 5.243 -0.349 1.00 0.87 C ATOM 261 C ASP A 281 7.106 5.323 0.527 1.00 0.81 C ATOM 262 O ASP A 281 8.212 5.442 0.040 1.00 0.80 O ATOM 263 CB ASP A 281 4.922 6.422 -0.062 1.00 1.06 C ATOM 264 CG ASP A 281 5.185 7.538 -1.074 1.00 1.24 C ATOM 265 OD1 ASP A 281 6.341 7.759 -1.396 1.00 1.69 O ATOM 266 OD2 ASP A 281 4.226 8.154 -1.510 1.00 1.73 O ATOM 267 H ASP A 281 4.089 4.087 0.091 1.00 1.00 H ATOM 268 HA ASP A 281 6.123 5.230 -1.394 1.00 0.90 H ATOM 269 HB2 ASP A 281 3.895 6.096 -0.142 1.00 1.15 H ATOM 270 HB3 ASP A 281 5.107 6.792 0.935 1.00 1.10 H ATOM 271 N ALA A 282 6.938 5.258 1.819 1.00 0.87 N ATOM 272 CA ALA A 282 8.112 5.328 2.728 1.00 0.93 C ATOM 273 C ALA A 282 9.151 4.273 2.334 1.00 0.80 C ATOM 274 O ALA A 282 10.212 4.589 1.834 1.00 0.98 O ATOM 275 CB ALA A 282 7.552 5.037 4.120 1.00 1.13 C ATOM 276 H ALA A 282 6.041 5.165 2.192 1.00 0.96 H ATOM 277 HA ALA A 282 8.542 6.313 2.703 1.00 1.02 H ATOM 278 HB1 ALA A 282 7.735 5.883 4.766 1.00 1.57 H ATOM 279 HB2 ALA A 282 8.037 4.162 4.528 1.00 1.53 H ATOM 280 HB3 ALA A 282 6.489 4.861 4.051 1.00 1.56 H ATOM 281 N ALA A 283 8.853 3.022 2.559 1.00 0.72 N ATOM 282 CA ALA A 283 9.822 1.946 2.202 1.00 0.71 C ATOM 283 C ALA A 283 10.140 1.986 0.704 1.00 0.61 C ATOM 284 O ALA A 283 11.081 1.371 0.244 1.00 0.78 O ATOM 285 CB ALA A 283 9.112 0.641 2.562 1.00 0.82 C ATOM 286 H ALA A 283 7.991 2.790 2.964 1.00 0.84 H ATOM 287 HA ALA A 283 10.726 2.044 2.782 1.00 0.83 H ATOM 288 HB1 ALA A 283 9.668 0.129 3.333 1.00 1.36 H ATOM 289 HB2 ALA A 283 9.049 0.012 1.686 1.00 1.35 H ATOM 290 HB3 ALA A 283 8.117 0.859 2.920 1.00 1.26 H ATOM 291 N ALA A 284 9.362 2.702 -0.060 1.00 0.52 N ATOM 292 CA ALA A 284 9.622 2.774 -1.527 1.00 0.60 C ATOM 293 C ALA A 284 10.826 3.676 -1.813 1.00 0.81 C ATOM 294 O ALA A 284 11.916 3.209 -2.067 1.00 0.97 O ATOM 295 CB ALA A 284 8.350 3.372 -2.130 1.00 0.65 C ATOM 296 H ALA A 284 8.605 3.189 0.328 1.00 0.56 H ATOM 297 HA ALA A 284 9.788 1.787 -1.927 1.00 0.64 H ATOM 298 HB1 ALA A 284 7.830 3.946 -1.378 1.00 1.25 H ATOM 299 HB2 ALA A 284 7.710 2.577 -2.482 1.00 1.23 H ATOM 300 HB3 ALA A 284 8.613 4.016 -2.956 1.00 1.17 H ATOM 301 N SER A 285 10.635 4.965 -1.781 1.00 0.88 N ATOM 302 CA SER A 285 11.767 5.891 -2.059 1.00 1.12 C ATOM 303 C SER A 285 12.583 6.139 -0.788 1.00 1.11 C ATOM 304 O SER A 285 12.942 7.259 -0.481 1.00 1.23 O ATOM 305 CB SER A 285 11.110 7.186 -2.534 1.00 1.26 C ATOM 306 OG SER A 285 10.121 6.881 -3.508 1.00 1.90 O ATOM 307 H SER A 285 9.750 5.323 -1.578 1.00 0.83 H ATOM 308 HA SER A 285 12.394 5.491 -2.838 1.00 1.27 H ATOM 309 HB2 SER A 285 10.645 7.683 -1.700 1.00 1.73 H ATOM 310 HB3 SER A 285 11.864 7.835 -2.962 1.00 1.56 H ATOM 311 HG SER A 285 9.284 7.237 -3.203 1.00 2.36 H ATOM 312 N LYS A 286 12.881 5.108 -0.045 1.00 1.05 N ATOM 313 CA LYS A 286 13.673 5.299 1.200 1.00 1.16 C ATOM 314 C LYS A 286 14.832 4.301 1.262 1.00 1.34 C ATOM 315 O LYS A 286 15.636 4.327 2.172 1.00 1.64 O ATOM 316 CB LYS A 286 12.689 5.053 2.343 1.00 1.07 C ATOM 317 CG LYS A 286 13.440 5.076 3.676 1.00 1.38 C ATOM 318 CD LYS A 286 12.728 6.018 4.648 1.00 2.06 C ATOM 319 CE LYS A 286 13.767 6.792 5.463 1.00 2.64 C ATOM 320 NZ LYS A 286 13.236 6.802 6.854 1.00 3.16 N ATOM 321 H LYS A 286 12.586 4.215 -0.305 1.00 0.99 H ATOM 322 HA LYS A 286 14.044 6.304 1.246 1.00 1.25 H ATOM 323 HB2 LYS A 286 11.934 5.825 2.341 1.00 1.04 H ATOM 324 HB3 LYS A 286 12.220 4.089 2.214 1.00 1.04 H ATOM 325 HG2 LYS A 286 13.465 4.079 4.092 1.00 1.62 H ATOM 326 HG3 LYS A 286 14.449 5.424 3.515 1.00 1.65 H ATOM 327 HD2 LYS A 286 12.115 6.713 4.092 1.00 2.46 H ATOM 328 HD3 LYS A 286 12.105 5.443 5.317 1.00 2.49 H ATOM 329 HE2 LYS A 286 14.723 6.287 5.426 1.00 3.03 H ATOM 330 HE3 LYS A 286 13.859 7.802 5.095 1.00 3.00 H ATOM 331 HZ1 LYS A 286 12.576 7.597 6.968 1.00 3.44 H ATOM 332 HZ2 LYS A 286 14.024 6.905 7.526 1.00 3.46 H ATOM 333 HZ3 LYS A 286 12.735 5.910 7.041 1.00 3.54 H ATOM 334 N GLY A 287 14.927 3.423 0.304 1.00 1.25 N ATOM 335 CA GLY A 287 16.038 2.428 0.318 1.00 1.46 C ATOM 336 C GLY A 287 15.466 1.027 0.529 1.00 1.41 C ATOM 337 O GLY A 287 15.818 0.092 -0.162 1.00 1.53 O ATOM 338 H GLY A 287 14.269 3.416 -0.424 1.00 1.13 H ATOM 339 HA2 GLY A 287 16.566 2.466 -0.625 1.00 1.58 H ATOM 340 HA3 GLY A 287 16.719 2.660 1.122 1.00 1.57 H ATOM 341 N ASP A 288 14.579 0.874 1.473 1.00 1.29 N ATOM 342 CA ASP A 288 13.981 -0.467 1.718 1.00 1.31 C ATOM 343 C ASP A 288 12.892 -0.734 0.679 1.00 1.12 C ATOM 344 O ASP A 288 11.748 -0.977 1.007 1.00 1.02 O ATOM 345 CB ASP A 288 13.380 -0.387 3.122 1.00 1.36 C ATOM 346 CG ASP A 288 13.531 -1.741 3.820 1.00 1.70 C ATOM 347 OD1 ASP A 288 14.569 -2.359 3.652 1.00 2.14 O ATOM 348 OD2 ASP A 288 12.605 -2.135 4.510 1.00 2.19 O ATOM 349 H ASP A 288 14.303 1.640 2.017 1.00 1.24 H ATOM 350 HA ASP A 288 14.739 -1.232 1.681 1.00 1.49 H ATOM 351 HB2 ASP A 288 13.896 0.372 3.692 1.00 1.52 H ATOM 352 HB3 ASP A 288 12.332 -0.136 3.052 1.00 1.33 H ATOM 353 N VAL A 289 13.245 -0.681 -0.575 1.00 1.15 N ATOM 354 CA VAL A 289 12.239 -0.921 -1.647 1.00 1.06 C ATOM 355 C VAL A 289 11.745 -2.369 -1.597 1.00 1.11 C ATOM 356 O VAL A 289 10.708 -2.699 -2.137 1.00 1.05 O ATOM 357 CB VAL A 289 12.981 -0.647 -2.957 1.00 1.26 C ATOM 358 CG1 VAL A 289 11.999 -0.743 -4.125 1.00 1.26 C ATOM 359 CG2 VAL A 289 13.585 0.761 -2.922 1.00 1.32 C ATOM 360 H VAL A 289 14.174 -0.480 -0.812 1.00 1.28 H ATOM 361 HA VAL A 289 11.411 -0.238 -1.544 1.00 0.89 H ATOM 362 HB VAL A 289 13.767 -1.376 -3.085 1.00 1.42 H ATOM 363 HG11 VAL A 289 12.522 -1.083 -5.007 1.00 1.47 H ATOM 364 HG12 VAL A 289 11.569 0.230 -4.314 1.00 1.71 H ATOM 365 HG13 VAL A 289 11.214 -1.442 -3.879 1.00 1.69 H ATOM 366 HG21 VAL A 289 12.793 1.488 -2.838 1.00 1.51 H ATOM 367 HG22 VAL A 289 14.139 0.937 -3.832 1.00 1.87 H ATOM 368 HG23 VAL A 289 14.247 0.851 -2.075 1.00 1.62 H ATOM 369 N GLU A 290 12.475 -3.236 -0.949 1.00 1.26 N ATOM 370 CA GLU A 290 12.037 -4.653 -0.865 1.00 1.37 C ATOM 371 C GLU A 290 10.555 -4.713 -0.495 1.00 1.23 C ATOM 372 O GLU A 290 9.716 -5.068 -1.299 1.00 1.19 O ATOM 373 CB GLU A 290 12.896 -5.266 0.240 1.00 1.57 C ATOM 374 CG GLU A 290 12.827 -6.792 0.156 1.00 1.77 C ATOM 375 CD GLU A 290 14.128 -7.392 0.693 1.00 2.11 C ATOM 376 OE1 GLU A 290 15.099 -6.660 0.791 1.00 2.65 O ATOM 377 OE2 GLU A 290 14.131 -8.574 0.995 1.00 2.63 O ATOM 378 H GLU A 290 13.305 -2.956 -0.517 1.00 1.33 H ATOM 379 HA GLU A 290 12.218 -5.158 -1.798 1.00 1.46 H ATOM 380 HB2 GLU A 290 13.917 -4.943 0.120 1.00 1.64 H ATOM 381 HB3 GLU A 290 12.530 -4.943 1.201 1.00 1.53 H ATOM 382 HG2 GLU A 290 11.995 -7.148 0.746 1.00 2.02 H ATOM 383 HG3 GLU A 290 12.693 -7.090 -0.873 1.00 2.20 H ATOM 384 N THR A 291 10.226 -4.359 0.717 1.00 1.20 N ATOM 385 CA THR A 291 8.801 -4.385 1.139 1.00 1.14 C ATOM 386 C THR A 291 7.944 -3.627 0.123 1.00 0.93 C ATOM 387 O THR A 291 6.906 -4.093 -0.302 1.00 0.92 O ATOM 388 CB THR A 291 8.775 -3.678 2.496 1.00 1.19 C ATOM 389 OG1 THR A 291 9.347 -4.527 3.481 1.00 1.43 O ATOM 390 CG2 THR A 291 7.330 -3.352 2.875 1.00 1.18 C ATOM 391 H THR A 291 10.915 -4.073 1.347 1.00 1.26 H ATOM 392 HA THR A 291 8.461 -5.399 1.245 1.00 1.27 H ATOM 393 HB THR A 291 9.343 -2.762 2.436 1.00 1.09 H ATOM 394 HG1 THR A 291 10.201 -4.165 3.726 1.00 1.75 H ATOM 395 HG21 THR A 291 6.661 -4.020 2.353 1.00 1.48 H ATOM 396 HG22 THR A 291 7.107 -2.332 2.601 1.00 1.54 H ATOM 397 HG23 THR A 291 7.201 -3.475 3.941 1.00 1.53 H ATOM 398 N TYR A 292 8.378 -2.461 -0.273 1.00 0.80 N ATOM 399 CA TYR A 292 7.598 -1.668 -1.265 1.00 0.66 C ATOM 400 C TYR A 292 7.193 -2.557 -2.443 1.00 0.75 C ATOM 401 O TYR A 292 6.024 -2.788 -2.684 1.00 0.71 O ATOM 402 CB TYR A 292 8.556 -0.568 -1.723 1.00 0.65 C ATOM 403 CG TYR A 292 7.899 0.267 -2.795 1.00 0.66 C ATOM 404 CD1 TYR A 292 6.532 0.562 -2.717 1.00 1.44 C ATOM 405 CD2 TYR A 292 8.659 0.751 -3.867 1.00 1.26 C ATOM 406 CE1 TYR A 292 5.926 1.339 -3.711 1.00 1.54 C ATOM 407 CE2 TYR A 292 8.053 1.528 -4.861 1.00 1.34 C ATOM 408 CZ TYR A 292 6.686 1.823 -4.783 1.00 0.97 C ATOM 409 OH TYR A 292 6.089 2.589 -5.763 1.00 1.20 O ATOM 410 H TYR A 292 9.221 -2.107 0.082 1.00 0.85 H ATOM 411 HA TYR A 292 6.728 -1.232 -0.802 1.00 0.61 H ATOM 412 HB2 TYR A 292 8.809 0.061 -0.883 1.00 0.62 H ATOM 413 HB3 TYR A 292 9.455 -1.016 -2.120 1.00 0.80 H ATOM 414 HD1 TYR A 292 5.946 0.189 -1.891 1.00 2.24 H ATOM 415 HD2 TYR A 292 9.712 0.523 -3.927 1.00 2.05 H ATOM 416 HE1 TYR A 292 4.873 1.567 -3.651 1.00 2.37 H ATOM 417 HE2 TYR A 292 8.640 1.902 -5.687 1.00 2.12 H ATOM 418 HH TYR A 292 6.200 3.513 -5.526 1.00 1.42 H ATOM 419 N ARG A 293 8.149 -3.058 -3.178 1.00 0.91 N ATOM 420 CA ARG A 293 7.818 -3.932 -4.336 1.00 1.05 C ATOM 421 C ARG A 293 6.707 -4.913 -3.954 1.00 1.01 C ATOM 422 O ARG A 293 5.610 -4.855 -4.473 1.00 0.97 O ATOM 423 CB ARG A 293 9.113 -4.683 -4.649 1.00 1.28 C ATOM 424 CG ARG A 293 9.367 -4.656 -6.158 1.00 1.44 C ATOM 425 CD ARG A 293 10.856 -4.881 -6.430 1.00 1.81 C ATOM 426 NE ARG A 293 10.900 -5.674 -7.690 1.00 2.28 N ATOM 427 CZ ARG A 293 12.048 -5.997 -8.221 1.00 2.81 C ATOM 428 NH1 ARG A 293 13.163 -5.629 -7.650 1.00 2.98 N ATOM 429 NH2 ARG A 293 12.081 -6.691 -9.326 1.00 3.61 N ATOM 430 H ARG A 293 9.083 -2.860 -2.967 1.00 0.98 H ATOM 431 HA ARG A 293 7.524 -3.336 -5.183 1.00 1.07 H ATOM 432 HB2 ARG A 293 9.937 -4.209 -4.136 1.00 1.62 H ATOM 433 HB3 ARG A 293 9.024 -5.708 -4.320 1.00 1.64 H ATOM 434 HG2 ARG A 293 8.791 -5.437 -6.633 1.00 1.93 H ATOM 435 HG3 ARG A 293 9.071 -3.697 -6.556 1.00 1.81 H ATOM 436 HD2 ARG A 293 11.360 -3.933 -6.561 1.00 2.17 H ATOM 437 HD3 ARG A 293 11.306 -5.441 -5.625 1.00 2.22 H ATOM 438 HE ARG A 293 10.065 -5.953 -8.121 1.00 2.62 H ATOM 439 HH11 ARG A 293 13.141 -5.098 -6.804 1.00 2.75 H ATOM 440 HH12 ARG A 293 14.040 -5.879 -8.061 1.00 3.61 H ATOM 441 HH21 ARG A 293 11.227 -6.973 -9.764 1.00 3.87 H ATOM 442 HH22 ARG A 293 12.959 -6.939 -9.735 1.00 4.13 H ATOM 443 N LYS A 294 6.982 -5.812 -3.048 1.00 1.10 N ATOM 444 CA LYS A 294 5.942 -6.793 -2.632 1.00 1.14 C ATOM 445 C LYS A 294 4.595 -6.087 -2.459 1.00 0.99 C ATOM 446 O LYS A 294 3.663 -6.317 -3.204 1.00 0.98 O ATOM 447 CB LYS A 294 6.434 -7.350 -1.295 1.00 1.28 C ATOM 448 CG LYS A 294 6.503 -8.876 -1.374 1.00 1.78 C ATOM 449 CD LYS A 294 7.161 -9.424 -0.106 1.00 2.07 C ATOM 450 CE LYS A 294 6.352 -10.613 0.417 1.00 2.65 C ATOM 451 NZ LYS A 294 7.370 -11.584 0.907 1.00 3.33 N ATOM 452 H LYS A 294 7.871 -5.842 -2.642 1.00 1.17 H ATOM 453 HA LYS A 294 5.865 -7.586 -3.355 1.00 1.24 H ATOM 454 HB2 LYS A 294 7.416 -6.954 -1.080 1.00 1.43 H ATOM 455 HB3 LYS A 294 5.749 -7.063 -0.511 1.00 1.45 H ATOM 456 HG2 LYS A 294 5.504 -9.278 -1.465 1.00 2.32 H ATOM 457 HG3 LYS A 294 7.088 -9.166 -2.234 1.00 2.18 H ATOM 458 HD2 LYS A 294 8.168 -9.744 -0.333 1.00 2.41 H ATOM 459 HD3 LYS A 294 7.189 -8.652 0.647 1.00 2.43 H ATOM 460 HE2 LYS A 294 5.707 -10.301 1.226 1.00 2.97 H ATOM 461 HE3 LYS A 294 5.773 -11.055 -0.380 1.00 3.01 H ATOM 462 HZ1 LYS A 294 7.987 -11.119 1.602 1.00 3.74 H ATOM 463 HZ2 LYS A 294 7.942 -11.921 0.105 1.00 3.67 H ATOM 464 HZ3 LYS A 294 6.893 -12.391 1.355 1.00 3.62 H ATOM 465 N LEU A 295 4.486 -5.228 -1.481 1.00 0.92 N ATOM 466 CA LEU A 295 3.202 -4.507 -1.265 1.00 0.86 C ATOM 467 C LEU A 295 2.630 -4.042 -2.606 1.00 0.76 C ATOM 468 O LEU A 295 1.515 -4.366 -2.962 1.00 0.80 O ATOM 469 CB LEU A 295 3.560 -3.308 -0.386 1.00 0.85 C ATOM 470 CG LEU A 295 3.035 -3.540 1.031 1.00 1.10 C ATOM 471 CD1 LEU A 295 4.173 -4.043 1.921 1.00 1.84 C ATOM 472 CD2 LEU A 295 2.491 -2.226 1.595 1.00 1.54 C ATOM 473 H LEU A 295 5.247 -5.056 -0.892 1.00 0.96 H ATOM 474 HA LEU A 295 2.498 -5.142 -0.753 1.00 0.97 H ATOM 475 HB2 LEU A 295 4.634 -3.190 -0.359 1.00 0.92 H ATOM 476 HB3 LEU A 295 3.109 -2.416 -0.793 1.00 0.94 H ATOM 477 HG LEU A 295 2.246 -4.278 1.006 1.00 1.66 H ATOM 478 HD11 LEU A 295 4.950 -3.294 1.968 1.00 2.43 H ATOM 479 HD12 LEU A 295 4.577 -4.955 1.507 1.00 2.29 H ATOM 480 HD13 LEU A 295 3.796 -4.234 2.914 1.00 2.28 H ATOM 481 HD21 LEU A 295 1.673 -1.881 0.980 1.00 2.10 H ATOM 482 HD22 LEU A 295 3.276 -1.484 1.599 1.00 1.91 H ATOM 483 HD23 LEU A 295 2.141 -2.385 2.604 1.00 2.07 H ATOM 484 N LYS A 296 3.388 -3.285 -3.354 1.00 0.72 N ATOM 485 CA LYS A 296 2.889 -2.805 -4.672 1.00 0.76 C ATOM 486 C LYS A 296 2.183 -3.945 -5.409 1.00 0.83 C ATOM 487 O LYS A 296 1.010 -3.866 -5.715 1.00 0.87 O ATOM 488 CB LYS A 296 4.136 -2.361 -5.437 1.00 0.86 C ATOM 489 CG LYS A 296 3.774 -1.209 -6.375 1.00 1.17 C ATOM 490 CD LYS A 296 4.952 -0.915 -7.306 1.00 1.58 C ATOM 491 CE LYS A 296 4.539 0.139 -8.336 1.00 2.12 C ATOM 492 NZ LYS A 296 5.076 -0.360 -9.632 1.00 2.78 N ATOM 493 H LYS A 296 4.284 -3.035 -3.051 1.00 0.73 H ATOM 494 HA LYS A 296 2.222 -1.970 -4.537 1.00 0.77 H ATOM 495 HB2 LYS A 296 4.891 -2.034 -4.736 1.00 0.95 H ATOM 496 HB3 LYS A 296 4.516 -3.189 -6.017 1.00 1.17 H ATOM 497 HG2 LYS A 296 2.909 -1.482 -6.963 1.00 1.73 H ATOM 498 HG3 LYS A 296 3.549 -0.328 -5.793 1.00 1.49 H ATOM 499 HD2 LYS A 296 5.785 -0.546 -6.725 1.00 1.95 H ATOM 500 HD3 LYS A 296 5.242 -1.821 -7.817 1.00 2.13 H ATOM 501 HE2 LYS A 296 3.461 0.219 -8.378 1.00 2.47 H ATOM 502 HE3 LYS A 296 4.980 1.093 -8.095 1.00 2.57 H ATOM 503 HZ1 LYS A 296 4.895 -1.380 -9.714 1.00 3.18 H ATOM 504 HZ2 LYS A 296 6.101 -0.184 -9.673 1.00 3.13 H ATOM 505 HZ3 LYS A 296 4.607 0.137 -10.416 1.00 3.14 H ATOM 506 N ALA A 297 2.890 -5.007 -5.691 1.00 0.93 N ATOM 507 CA ALA A 297 2.260 -6.154 -6.401 1.00 1.07 C ATOM 508 C ALA A 297 0.869 -6.421 -5.824 1.00 1.03 C ATOM 509 O ALA A 297 -0.134 -6.242 -6.486 1.00 1.08 O ATOM 510 CB ALA A 297 3.188 -7.341 -6.141 1.00 1.22 C ATOM 511 H ALA A 297 3.833 -5.051 -5.434 1.00 0.96 H ATOM 512 HA ALA A 297 2.202 -5.955 -7.458 1.00 1.16 H ATOM 513 HB1 ALA A 297 4.206 -7.059 -6.366 1.00 1.75 H ATOM 514 HB2 ALA A 297 2.898 -8.170 -6.770 1.00 1.55 H ATOM 515 HB3 ALA A 297 3.117 -7.634 -5.104 1.00 1.53 H ATOM 516 N LYS A 298 0.801 -6.840 -4.589 1.00 1.03 N ATOM 517 CA LYS A 298 -0.525 -7.108 -3.969 1.00 1.11 C ATOM 518 C LYS A 298 -1.491 -5.967 -4.296 1.00 1.05 C ATOM 519 O LYS A 298 -2.529 -6.170 -4.893 1.00 1.12 O ATOM 520 CB LYS A 298 -0.254 -7.172 -2.465 1.00 1.22 C ATOM 521 CG LYS A 298 -0.708 -8.528 -1.921 1.00 1.70 C ATOM 522 CD LYS A 298 0.030 -8.829 -0.615 1.00 1.99 C ATOM 523 CE LYS A 298 -0.911 -8.598 0.569 1.00 2.66 C ATOM 524 NZ LYS A 298 -0.400 -9.489 1.647 1.00 3.20 N ATOM 525 H LYS A 298 1.619 -6.974 -4.070 1.00 1.04 H ATOM 526 HA LYS A 298 -0.916 -8.050 -4.314 1.00 1.25 H ATOM 527 HB2 LYS A 298 0.804 -7.046 -2.284 1.00 1.28 H ATOM 528 HB3 LYS A 298 -0.801 -6.386 -1.967 1.00 1.46 H ATOM 529 HG2 LYS A 298 -1.772 -8.504 -1.737 1.00 2.16 H ATOM 530 HG3 LYS A 298 -0.485 -9.299 -2.644 1.00 2.18 H ATOM 531 HD2 LYS A 298 0.361 -9.858 -0.618 1.00 2.40 H ATOM 532 HD3 LYS A 298 0.885 -8.176 -0.526 1.00 2.29 H ATOM 533 HE2 LYS A 298 -0.872 -7.563 0.882 1.00 3.00 H ATOM 534 HE3 LYS A 298 -1.921 -8.875 0.307 1.00 3.13 H ATOM 535 HZ1 LYS A 298 -1.040 -9.445 2.465 1.00 3.44 H ATOM 536 HZ2 LYS A 298 0.551 -9.178 1.932 1.00 3.62 H ATOM 537 HZ3 LYS A 298 -0.356 -10.467 1.297 1.00 3.49 H ATOM 538 N LEU A 299 -1.153 -4.765 -3.911 1.00 0.98 N ATOM 539 CA LEU A 299 -2.044 -3.609 -4.200 1.00 1.04 C ATOM 540 C LEU A 299 -2.514 -3.655 -5.657 1.00 1.08 C ATOM 541 O LEU A 299 -3.618 -3.262 -5.977 1.00 1.27 O ATOM 542 CB LEU A 299 -1.179 -2.372 -3.956 1.00 1.04 C ATOM 543 CG LEU A 299 -2.058 -1.122 -3.977 1.00 1.34 C ATOM 544 CD1 LEU A 299 -2.230 -0.595 -2.552 1.00 1.80 C ATOM 545 CD2 LEU A 299 -1.394 -0.047 -4.841 1.00 1.78 C ATOM 546 H LEU A 299 -0.312 -4.623 -3.433 1.00 0.96 H ATOM 547 HA LEU A 299 -2.884 -3.607 -3.530 1.00 1.18 H ATOM 548 HB2 LEU A 299 -0.694 -2.456 -2.994 1.00 1.18 H ATOM 549 HB3 LEU A 299 -0.431 -2.296 -4.731 1.00 1.18 H ATOM 550 HG LEU A 299 -3.026 -1.370 -4.388 1.00 1.82 H ATOM 551 HD11 LEU A 299 -3.248 -0.262 -2.411 1.00 2.35 H ATOM 552 HD12 LEU A 299 -1.555 0.232 -2.389 1.00 2.17 H ATOM 553 HD13 LEU A 299 -2.009 -1.384 -1.848 1.00 2.15 H ATOM 554 HD21 LEU A 299 -2.094 0.757 -5.016 1.00 2.26 H ATOM 555 HD22 LEU A 299 -1.096 -0.478 -5.785 1.00 2.15 H ATOM 556 HD23 LEU A 299 -0.524 0.338 -4.330 1.00 2.22 H ATOM 557 N LYS A 300 -1.680 -4.132 -6.540 1.00 1.08 N ATOM 558 CA LYS A 300 -2.073 -4.204 -7.977 1.00 1.26 C ATOM 559 C LYS A 300 -3.079 -5.338 -8.196 1.00 1.26 C ATOM 560 O LYS A 300 -3.648 -5.478 -9.260 1.00 1.60 O ATOM 561 CB LYS A 300 -0.771 -4.490 -8.725 1.00 1.50 C ATOM 562 CG LYS A 300 -1.016 -4.399 -10.232 1.00 1.94 C ATOM 563 CD LYS A 300 0.237 -4.857 -10.980 1.00 2.41 C ATOM 564 CE LYS A 300 -0.033 -4.840 -12.486 1.00 2.86 C ATOM 565 NZ LYS A 300 -1.273 -5.647 -12.662 1.00 3.50 N ATOM 566 H LYS A 300 -0.795 -4.442 -6.259 1.00 1.08 H ATOM 567 HA LYS A 300 -2.487 -3.263 -8.303 1.00 1.46 H ATOM 568 HB2 LYS A 300 -0.024 -3.765 -8.436 1.00 1.79 H ATOM 569 HB3 LYS A 300 -0.424 -5.482 -8.478 1.00 1.84 H ATOM 570 HG2 LYS A 300 -1.848 -5.034 -10.500 1.00 2.25 H ATOM 571 HG3 LYS A 300 -1.240 -3.378 -10.500 1.00 2.47 H ATOM 572 HD2 LYS A 300 1.056 -4.189 -10.751 1.00 2.82 H ATOM 573 HD3 LYS A 300 0.494 -5.860 -10.673 1.00 2.79 H ATOM 574 HE2 LYS A 300 -0.188 -3.826 -12.827 1.00 3.13 H ATOM 575 HE3 LYS A 300 0.785 -5.298 -13.020 1.00 3.13 H ATOM 576 HZ1 LYS A 300 -1.371 -6.311 -11.869 1.00 3.90 H ATOM 577 HZ2 LYS A 300 -1.216 -6.178 -13.555 1.00 3.91 H ATOM 578 HZ3 LYS A 300 -2.097 -5.015 -12.685 1.00 3.67 H ATOM 579 N GLY A 301 -3.300 -6.148 -7.198 1.00 1.23 N ATOM 580 CA GLY A 301 -4.269 -7.271 -7.350 1.00 1.46 C ATOM 581 C GLY A 301 -5.419 -7.090 -6.359 1.00 1.27 C ATOM 582 O GLY A 301 -6.417 -7.781 -6.418 1.00 1.58 O ATOM 583 H GLY A 301 -2.831 -6.018 -6.348 1.00 1.31 H ATOM 584 HA2 GLY A 301 -4.657 -7.276 -8.358 1.00 1.76 H ATOM 585 HA3 GLY A 301 -3.770 -8.207 -7.150 1.00 1.81 H ATOM 586 N ILE A 302 -5.290 -6.165 -5.447 1.00 1.17 N ATOM 587 CA ILE A 302 -6.379 -5.941 -4.453 1.00 1.34 C ATOM 588 C ILE A 302 -7.734 -5.871 -5.163 1.00 1.84 C ATOM 589 O ILE A 302 -8.077 -4.875 -5.767 1.00 2.40 O ATOM 590 CB ILE A 302 -6.046 -4.602 -3.795 1.00 1.38 C ATOM 591 CG1 ILE A 302 -4.911 -4.800 -2.789 1.00 1.63 C ATOM 592 CG2 ILE A 302 -7.281 -4.065 -3.069 1.00 1.86 C ATOM 593 CD1 ILE A 302 -4.674 -3.495 -2.026 1.00 1.65 C ATOM 594 H ILE A 302 -4.477 -5.618 -5.415 1.00 1.30 H ATOM 595 HA ILE A 302 -6.381 -6.725 -3.713 1.00 1.62 H ATOM 596 HB ILE A 302 -5.739 -3.895 -4.553 1.00 1.64 H ATOM 597 HG12 ILE A 302 -5.179 -5.581 -2.093 1.00 2.16 H ATOM 598 HG13 ILE A 302 -4.009 -5.078 -3.313 1.00 2.24 H ATOM 599 HG21 ILE A 302 -7.004 -3.210 -2.471 1.00 2.17 H ATOM 600 HG22 ILE A 302 -7.686 -4.836 -2.429 1.00 2.32 H ATOM 601 HG23 ILE A 302 -8.026 -3.772 -3.794 1.00 2.29 H ATOM 602 HD11 ILE A 302 -3.628 -3.412 -1.771 1.00 2.09 H ATOM 603 HD12 ILE A 302 -5.266 -3.493 -1.123 1.00 1.95 H ATOM 604 HD13 ILE A 302 -4.960 -2.659 -2.647 1.00 2.06 H ATOM 605 N ARG A 303 -8.505 -6.921 -5.095 1.00 2.37 N ATOM 606 CA ARG A 303 -9.836 -6.911 -5.766 1.00 3.11 C ATOM 607 C ARG A 303 -10.680 -5.743 -5.248 1.00 3.80 C ATOM 608 O ARG A 303 -10.871 -4.798 -5.996 1.00 4.31 O ATOM 609 CB ARG A 303 -10.479 -8.246 -5.391 1.00 3.84 C ATOM 610 CG ARG A 303 -11.580 -8.586 -6.398 1.00 4.48 C ATOM 611 CD ARG A 303 -10.967 -8.749 -7.791 1.00 5.33 C ATOM 612 NE ARG A 303 -11.499 -7.603 -8.578 1.00 5.91 N ATOM 613 CZ ARG A 303 -12.748 -7.596 -8.963 1.00 6.51 C ATOM 614 NH1 ARG A 303 -13.532 -8.599 -8.673 1.00 6.65 N ATOM 615 NH2 ARG A 303 -13.212 -6.583 -9.642 1.00 7.27 N ATOM 616 OXT ARG A 303 -11.119 -5.814 -4.112 1.00 4.29 O ATOM 617 H ARG A 303 -8.210 -7.715 -4.603 1.00 2.65 H ATOM 618 HA ARG A 303 -9.718 -6.846 -6.837 1.00 3.22 H ATOM 619 HB2 ARG A 303 -9.728 -9.023 -5.402 1.00 3.99 H ATOM 620 HB3 ARG A 303 -10.909 -8.174 -4.403 1.00 4.32 H ATOM 621 HG2 ARG A 303 -12.062 -9.508 -6.106 1.00 4.68 H ATOM 622 HG3 ARG A 303 -12.308 -7.790 -6.419 1.00 4.62 H ATOM 623 HD2 ARG A 303 -9.888 -8.703 -7.733 1.00 5.56 H ATOM 624 HD3 ARG A 303 -11.282 -9.680 -8.235 1.00 5.67 H ATOM 625 HE ARG A 303 -10.913 -6.850 -8.803 1.00 6.07 H ATOM 626 HH11 ARG A 303 -13.179 -9.377 -8.154 1.00 6.31 H ATOM 627 HH12 ARG A 303 -14.486 -8.590 -8.971 1.00 7.30 H ATOM 628 HH21 ARG A 303 -12.613 -5.814 -9.867 1.00 7.42 H ATOM 629 HH22 ARG A 303 -14.168 -6.574 -9.937 1.00 7.86 H TER 630 ARG A 303 MASTER 75 0 0 2 0 0 0 6 629 1 0 4 END