HEADER METAL BINDING PROTEIN 19-FEB-05 1YX7 TITLE NMR STRUCTURE OF CALSENSIN, ENERGY MINIMIZED AVERAGE TITLE 2 STRUCTURE. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALSENSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LAN3-6 ANTIGEN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPIS MARMORATA; SOURCE 3 ORGANISM_TAXID: 38567; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX4T3 KEYWDS CALSENSIN, CALCIUM-BINDING PROTEIN EF-HAND, HELIX-LOOP- KEYWDS 2 HELIX, NERVOUS SYSTEM, METAL BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR D.V.VENKITARAMANI,D.B.FULTON,A.H.ANDREOTTI,K.M.JOHANSEN, AUTHOR 2 J.JOHANSEN REVDAT 3 24-FEB-09 1YX7 1 VERSN REVDAT 2 13-DEC-05 1YX7 1 JRNL REVDAT 1 01-APR-05 1YX7 0 JRNL AUTH D.V.VENKITARAMANI,D.B.FULTON,A.H.ANDREOTTI, JRNL AUTH 2 K.M.JOHANSEN,J.JOHANSEN JRNL TITL SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF JRNL TITL 2 CALSENSIN, AN INVERTEBRATE NEURONAL JRNL TITL 3 CALCIUM-BINDING PROTEIN. JRNL REF PROTEIN SCI. V. 14 1894 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 15937283 JRNL DOI 10.1110/PS.051412605 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YX7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032025. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 125 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.7 MM CALSENSIN, U15N, 13C; REMARK 210 125 MM PHOSPHATE BUFFER, 2 MM REMARK 210 DTT; 1.7 MM CALSENSIN, U15N; REMARK 210 125 MM PHOSPHATE BUFFER, 2 MM REMARK 210 DTT; 1.5 MM CALSENSIN, 125 MM REMARK 210 PHOSPHATE BUFFER, 2 MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY, REMARK 210 2D TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, NMRPIPE 1.0, NMRVIEW REMARK 210 5.0.4 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING 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 : 1 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LEU A 16 OG1 THR A 25 2.09 REMARK 500 O GLU A 69 ND2 ASN A 73 2.10 REMARK 500 O LEU A 27 NE2 GLN A 30 2.12 REMARK 500 O LYS A 65 OE2 GLU A 69 2.17 REMARK 500 OD1 ASP A 45 OE2 GLU A 49 2.17 REMARK 500 O ALA A 12 N LEU A 16 2.18 REMARK 500 REMARK 500 REMARK: NULL 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 CYS A 3 -151.21 36.73 REMARK 500 LYS A 4 -152.46 -162.82 REMARK 500 LYS A 6 -34.31 158.52 REMARK 500 ALA A 7 1.77 -66.78 REMARK 500 ASP A 17 53.29 -140.62 REMARK 500 ASN A 19 -23.64 -147.26 REMARK 500 ASP A 21 -45.13 -148.29 REMARK 500 ALA A 26 -18.29 -48.62 REMARK 500 LEU A 36 62.17 -160.59 REMARK 500 TYR A 39 18.39 46.14 REMARK 500 LYS A 40 43.22 -67.21 REMARK 500 ALA A 41 16.89 -161.30 REMARK 500 LEU A 42 -120.56 -90.57 REMARK 500 SER A 43 -84.02 42.50 REMARK 500 ASP A 45 20.70 124.48 REMARK 500 ALA A 58 -29.41 -168.42 REMARK 500 ASN A 61 14.45 -151.05 REMARK 500 SER A 62 71.31 98.58 REMARK 500 ASP A 63 -35.93 -137.20 REMARK 500 SER A 67 -143.76 163.75 REMARK 500 LYS A 68 -36.20 -38.38 REMARK 500 GLN A 81 124.16 92.21 REMARK 500 LEU A 82 -169.14 148.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YX8 RELATED DB: PDB DBREF 1YX7 A 1 83 UNP Q25088 CLSS_HAEMA 1 83 SEQRES 1 A 83 MET ALA CYS LYS VAL LYS ALA GLU LEU GLU ALA ALA PHE SEQRES 2 A 83 LYS LYS LEU ASP ALA ASN GLY ASP GLY TYR VAL THR ALA SEQRES 3 A 83 LEU GLU LEU GLN THR PHE MET VAL THR LEU ASP ALA TYR SEQRES 4 A 83 LYS ALA LEU SER LYS ASP LYS VAL LYS GLU ALA SER ALA SEQRES 5 A 83 LYS LEU ILE LYS MET ALA ASP LYS ASN SER ASP GLY LYS SEQRES 6 A 83 ILE SER LYS GLU GLU PHE LEU ASN ALA ASN ALA GLU LEU SEQRES 7 A 83 LEU CYS GLN LEU LYS HELIX 1 1 ALA A 7 ASP A 17 1 11 HELIX 2 2 THR A 25 ASP A 37 1 13 HELIX 3 3 VAL A 47 LYS A 56 1 10 HELIX 4 4 SER A 67 CYS A 80 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 MET A 1 111.242 21.903 -5.150 1.00 3.91 N ATOM 2 CA MET A 1 111.182 22.435 -3.763 1.00 3.05 C ATOM 3 C MET A 1 110.811 21.340 -2.768 1.00 3.02 C ATOM 4 O MET A 1 111.357 21.277 -1.667 1.00 3.52 O ATOM 5 CB MET A 1 110.149 23.562 -3.718 1.00 2.93 C ATOM 6 CG MET A 1 108.802 23.131 -3.163 1.00 3.14 C ATOM 7 SD MET A 1 107.490 24.314 -3.526 1.00 3.80 S ATOM 8 CE MET A 1 106.042 23.366 -3.066 1.00 4.09 C ATOM 9 H1 MET A 1 111.487 22.640 -5.780 1.00 4.27 H ATOM 10 H2 MET A 1 111.931 21.180 -5.200 1.00 4.14 H ATOM 11 H3 MET A 1 110.349 21.531 -5.403 1.00 4.29 H ATOM 12 HA MET A 1 112.095 22.767 -3.526 1.00 3.21 H ATOM 13 HB2 MET A 1 110.507 24.297 -3.142 1.00 3.30 H ATOM 14 HB3 MET A 1 110.012 23.904 -4.648 1.00 3.14 H ATOM 15 HG2 MET A 1 108.564 22.247 -3.566 1.00 3.53 H ATOM 16 HG3 MET A 1 108.887 23.033 -2.171 1.00 3.19 H ATOM 17 HE1 MET A 1 106.106 23.117 -2.100 1.00 4.13 H ATOM 18 HE2 MET A 1 105.215 23.907 -3.217 1.00 4.40 H ATOM 19 HE3 MET A 1 106.003 22.536 -3.622 1.00 4.50 H ATOM 20 N ALA A 2 109.879 20.479 -3.164 1.00 3.08 N ATOM 21 CA ALA A 2 109.435 19.387 -2.308 1.00 3.58 C ATOM 22 C ALA A 2 110.618 18.708 -1.626 1.00 3.25 C ATOM 23 O ALA A 2 111.715 18.646 -2.181 1.00 3.61 O ATOM 24 CB ALA A 2 108.636 18.374 -3.115 1.00 4.46 C ATOM 25 H ALA A 2 109.473 20.583 -4.072 1.00 3.22 H ATOM 26 HA ALA A 2 108.838 19.764 -1.600 1.00 4.05 H ATOM 27 HB1 ALA A 2 107.837 18.825 -3.514 1.00 4.73 H ATOM 28 HB2 ALA A 2 109.211 18.006 -3.846 1.00 4.94 H ATOM 29 HB3 ALA A 2 108.335 17.629 -2.520 1.00 4.77 H ATOM 30 N CYS A 3 110.387 18.199 -0.420 1.00 3.12 N ATOM 31 CA CYS A 3 111.434 17.523 0.337 1.00 3.19 C ATOM 32 C CYS A 3 112.784 18.201 0.123 1.00 2.69 C ATOM 33 O CYS A 3 112.852 19.403 -0.133 1.00 2.84 O ATOM 34 CB CYS A 3 111.519 16.051 -0.071 1.00 4.00 C ATOM 35 SG CYS A 3 111.752 14.914 1.315 1.00 4.97 S ATOM 36 H CYS A 3 109.473 18.282 -0.022 1.00 3.38 H ATOM 37 HA CYS A 3 111.206 17.593 1.308 1.00 3.60 H ATOM 38 HB2 CYS A 3 110.670 15.806 -0.540 1.00 4.31 H ATOM 39 HB3 CYS A 3 112.290 15.943 -0.699 1.00 4.25 H ATOM 40 HG CYS A 3 111.792 15.430 2.171 1.00 5.09 H ATOM 41 N LYS A 4 113.855 17.422 0.229 1.00 2.76 N ATOM 42 CA LYS A 4 115.203 17.947 0.046 1.00 2.88 C ATOM 43 C LYS A 4 116.198 16.817 -0.201 1.00 2.49 C ATOM 44 O LYS A 4 115.836 15.760 -0.717 1.00 2.94 O ATOM 45 CB LYS A 4 115.628 18.757 1.272 1.00 3.70 C ATOM 46 CG LYS A 4 116.385 20.029 0.928 1.00 4.53 C ATOM 47 CD LYS A 4 117.113 19.902 -0.400 1.00 5.34 C ATOM 48 CE LYS A 4 116.559 20.869 -1.434 1.00 5.89 C ATOM 49 NZ LYS A 4 115.823 20.162 -2.518 1.00 6.65 N ATOM 50 H LYS A 4 113.734 16.452 0.439 1.00 3.16 H ATOM 51 HA LYS A 4 115.204 18.550 -0.751 1.00 3.32 H ATOM 52 HB2 LYS A 4 114.807 19.006 1.786 1.00 3.85 H ATOM 53 HB3 LYS A 4 116.216 18.183 1.842 1.00 4.08 H ATOM 54 HG2 LYS A 4 115.737 20.788 0.872 1.00 4.84 H ATOM 55 HG3 LYS A 4 117.053 20.215 1.648 1.00 4.68 H ATOM 56 HD2 LYS A 4 118.083 20.098 -0.259 1.00 5.55 H ATOM 57 HD3 LYS A 4 117.008 18.968 -0.741 1.00 5.72 H ATOM 58 HE2 LYS A 4 115.934 21.504 -0.980 1.00 6.07 H ATOM 59 HE3 LYS A 4 117.318 21.380 -1.838 1.00 5.94 H ATOM 60 HZ1 LYS A 4 115.031 19.593 -2.296 1.00 6.98 H ATOM 61 HZ2 LYS A 4 115.398 20.685 -3.257 1.00 6.85 H ATOM 62 HZ3 LYS A 4 116.298 19.496 -3.093 1.00 6.95 H ATOM 63 N VAL A 5 117.453 17.049 0.170 1.00 2.34 N ATOM 64 CA VAL A 5 118.500 16.052 -0.011 1.00 2.51 C ATOM 65 C VAL A 5 118.857 15.384 1.312 1.00 2.00 C ATOM 66 O VAL A 5 119.035 16.054 2.329 1.00 2.76 O ATOM 67 CB VAL A 5 119.771 16.676 -0.617 1.00 3.50 C ATOM 68 CG1 VAL A 5 120.155 17.943 0.132 1.00 3.93 C ATOM 69 CG2 VAL A 5 120.915 15.673 -0.604 1.00 4.35 C ATOM 70 H VAL A 5 117.684 17.930 0.584 1.00 2.63 H ATOM 71 HA VAL A 5 118.145 15.345 -0.622 1.00 2.96 H ATOM 72 HB VAL A 5 119.562 16.934 -1.560 1.00 3.89 H ATOM 73 HG11 VAL A 5 120.333 17.729 1.092 1.00 4.21 H ATOM 74 HG12 VAL A 5 120.981 18.323 -0.284 1.00 4.28 H ATOM 75 HG13 VAL A 5 119.414 18.611 0.072 1.00 4.18 H ATOM 76 HG21 VAL A 5 120.664 14.869 -1.142 1.00 4.66 H ATOM 77 HG22 VAL A 5 121.728 16.099 -1.001 1.00 4.97 H ATOM 78 HG23 VAL A 5 121.110 15.397 0.337 1.00 4.47 H ATOM 79 N LYS A 6 118.960 14.059 1.291 1.00 1.42 N ATOM 80 CA LYS A 6 119.295 13.299 2.489 1.00 1.64 C ATOM 81 C LYS A 6 118.846 11.848 2.356 1.00 1.42 C ATOM 82 O LYS A 6 119.501 10.936 2.861 1.00 1.34 O ATOM 83 CB LYS A 6 118.647 13.935 3.720 1.00 2.21 C ATOM 84 CG LYS A 6 117.154 14.174 3.566 1.00 2.97 C ATOM 85 CD LYS A 6 116.676 15.306 4.460 1.00 3.95 C ATOM 86 CE LYS A 6 115.418 14.922 5.222 1.00 4.78 C ATOM 87 NZ LYS A 6 115.301 13.448 5.394 1.00 5.42 N ATOM 88 H LYS A 6 118.804 13.571 0.432 1.00 1.65 H ATOM 89 HA LYS A 6 120.288 13.314 2.608 1.00 2.23 H ATOM 90 HB2 LYS A 6 118.792 13.329 4.502 1.00 2.42 H ATOM 91 HB3 LYS A 6 119.092 14.814 3.893 1.00 2.72 H ATOM 92 HG2 LYS A 6 116.959 14.408 2.614 1.00 3.29 H ATOM 93 HG3 LYS A 6 116.664 13.338 3.811 1.00 3.17 H ATOM 94 HD2 LYS A 6 117.397 15.529 5.116 1.00 4.45 H ATOM 95 HD3 LYS A 6 116.481 16.107 3.894 1.00 4.08 H ATOM 96 HE2 LYS A 6 115.443 15.352 6.124 1.00 5.01 H ATOM 97 HE3 LYS A 6 114.621 15.253 4.717 1.00 5.11 H ATOM 98 HZ1 LYS A 6 115.320 12.848 4.594 1.00 5.91 H ATOM 99 HZ2 LYS A 6 115.979 12.953 5.937 1.00 5.75 H ATOM 100 HZ3 LYS A 6 114.487 13.058 5.824 1.00 5.42 H ATOM 101 N ALA A 7 117.724 11.641 1.673 1.00 1.47 N ATOM 102 CA ALA A 7 117.186 10.303 1.472 1.00 1.45 C ATOM 103 C ALA A 7 118.102 9.468 0.584 1.00 1.31 C ATOM 104 O ALA A 7 117.799 8.317 0.272 1.00 1.42 O ATOM 105 CB ALA A 7 115.791 10.380 0.870 1.00 1.75 C ATOM 106 H ALA A 7 117.237 12.425 1.287 1.00 1.63 H ATOM 107 HA ALA A 7 117.118 9.854 2.363 1.00 1.44 H ATOM 108 HB1 ALA A 7 115.836 10.852 -0.010 1.00 1.92 H ATOM 109 HB2 ALA A 7 115.429 9.458 0.735 1.00 2.38 H ATOM 110 HB3 ALA A 7 115.191 10.886 1.489 1.00 1.96 H ATOM 111 N GLU A 8 119.223 10.056 0.179 1.00 1.15 N ATOM 112 CA GLU A 8 120.182 9.364 -0.673 1.00 1.08 C ATOM 113 C GLU A 8 120.465 7.963 -0.145 1.00 0.95 C ATOM 114 O GLU A 8 120.916 7.089 -0.884 1.00 0.93 O ATOM 115 CB GLU A 8 121.485 10.161 -0.765 1.00 1.12 C ATOM 116 CG GLU A 8 121.958 10.709 0.572 1.00 1.58 C ATOM 117 CD GLU A 8 123.138 11.650 0.431 1.00 1.70 C ATOM 118 OE1 GLU A 8 124.069 11.324 -0.335 1.00 1.94 O ATOM 119 OE2 GLU A 8 123.131 12.713 1.087 1.00 2.18 O ATOM 120 H GLU A 8 119.413 10.995 0.465 1.00 1.16 H ATOM 121 HA GLU A 8 119.813 9.299 -1.600 1.00 1.15 H ATOM 122 HB2 GLU A 8 122.197 9.562 -1.131 1.00 1.30 H ATOM 123 HB3 GLU A 8 121.343 10.929 -1.389 1.00 1.42 H ATOM 124 HG2 GLU A 8 121.203 11.205 1.001 1.00 1.98 H ATOM 125 HG3 GLU A 8 122.228 9.943 1.156 1.00 1.92 H ATOM 126 N LEU A 9 120.190 7.758 1.138 1.00 0.92 N ATOM 127 CA LEU A 9 120.406 6.467 1.771 1.00 0.82 C ATOM 128 C LEU A 9 119.374 5.461 1.287 1.00 0.80 C ATOM 129 O LEU A 9 119.616 4.254 1.280 1.00 0.75 O ATOM 130 CB LEU A 9 120.344 6.597 3.297 1.00 0.85 C ATOM 131 CG LEU A 9 118.991 7.028 3.868 1.00 0.94 C ATOM 132 CD1 LEU A 9 118.647 8.443 3.428 1.00 1.06 C ATOM 133 CD2 LEU A 9 117.897 6.057 3.449 1.00 0.90 C ATOM 134 H LEU A 9 119.824 8.512 1.684 1.00 0.99 H ATOM 135 HA LEU A 9 121.313 6.137 1.511 1.00 0.79 H ATOM 136 HB2 LEU A 9 120.575 5.708 3.692 1.00 0.81 H ATOM 137 HB3 LEU A 9 121.025 7.273 3.577 1.00 0.89 H ATOM 138 HG LEU A 9 119.032 6.996 4.867 1.00 0.99 H ATOM 139 HD11 LEU A 9 119.351 9.074 3.754 1.00 1.44 H ATOM 140 HD12 LEU A 9 118.603 8.480 2.430 1.00 1.55 H ATOM 141 HD13 LEU A 9 117.761 8.705 3.811 1.00 1.46 H ATOM 142 HD21 LEU A 9 117.845 6.038 2.451 1.00 1.15 H ATOM 143 HD22 LEU A 9 118.125 5.144 3.789 1.00 1.35 H ATOM 144 HD23 LEU A 9 117.014 6.341 3.824 1.00 1.51 H ATOM 145 N GLU A 10 118.220 5.975 0.892 1.00 0.87 N ATOM 146 CA GLU A 10 117.130 5.142 0.410 1.00 0.89 C ATOM 147 C GLU A 10 117.458 4.522 -0.946 1.00 0.84 C ATOM 148 O GLU A 10 116.876 3.508 -1.333 1.00 0.90 O ATOM 149 CB GLU A 10 115.841 5.960 0.313 1.00 1.02 C ATOM 150 CG GLU A 10 115.252 6.003 -1.087 1.00 1.02 C ATOM 151 CD GLU A 10 114.090 6.971 -1.200 1.00 1.25 C ATOM 152 OE1 GLU A 10 113.854 7.730 -0.236 1.00 1.88 O ATOM 153 OE2 GLU A 10 113.417 6.970 -2.251 1.00 1.70 O ATOM 154 H GLU A 10 118.094 6.966 0.926 1.00 0.93 H ATOM 155 HA GLU A 10 116.958 4.411 1.071 1.00 0.89 H ATOM 156 HB2 GLU A 10 115.164 5.557 0.929 1.00 1.11 H ATOM 157 HB3 GLU A 10 116.038 6.897 0.602 1.00 1.16 H ATOM 158 HG2 GLU A 10 115.966 6.285 -1.728 1.00 1.22 H ATOM 159 HG3 GLU A 10 114.930 5.088 -1.329 1.00 1.05 H ATOM 160 N ALA A 11 118.385 5.140 -1.665 1.00 0.82 N ATOM 161 CA ALA A 11 118.781 4.654 -2.980 1.00 0.82 C ATOM 162 C ALA A 11 119.564 3.358 -2.875 1.00 0.73 C ATOM 163 O ALA A 11 119.211 2.348 -3.486 1.00 0.72 O ATOM 164 CB ALA A 11 119.599 5.710 -3.708 1.00 0.90 C ATOM 165 H ALA A 11 118.823 5.960 -1.296 1.00 0.85 H ATOM 166 HA ALA A 11 117.953 4.479 -3.513 1.00 0.87 H ATOM 167 HB1 ALA A 11 120.418 5.920 -3.174 1.00 1.26 H ATOM 168 HB2 ALA A 11 119.867 5.369 -4.609 1.00 1.23 H ATOM 169 HB3 ALA A 11 119.049 6.539 -3.815 1.00 1.39 H ATOM 170 N ALA A 12 120.625 3.399 -2.094 1.00 0.70 N ATOM 171 CA ALA A 12 121.474 2.237 -1.893 1.00 0.66 C ATOM 172 C ALA A 12 120.722 1.136 -1.172 1.00 0.62 C ATOM 173 O ALA A 12 120.828 -0.037 -1.520 1.00 0.65 O ATOM 174 CB ALA A 12 122.728 2.620 -1.124 1.00 0.68 C ATOM 175 H ALA A 12 120.852 4.254 -1.627 1.00 0.73 H ATOM 176 HA ALA A 12 121.755 1.893 -2.789 1.00 0.70 H ATOM 177 HB1 ALA A 12 123.234 3.311 -1.641 1.00 1.15 H ATOM 178 HB2 ALA A 12 122.468 2.994 -0.234 1.00 1.15 H ATOM 179 HB3 ALA A 12 123.305 1.814 -0.991 1.00 1.31 H ATOM 180 N PHE A 13 119.951 1.527 -0.176 1.00 0.62 N ATOM 181 CA PHE A 13 119.165 0.578 0.593 1.00 0.65 C ATOM 182 C PHE A 13 118.143 -0.103 -0.306 1.00 0.71 C ATOM 183 O PHE A 13 118.091 -1.335 -0.401 1.00 0.74 O ATOM 184 CB PHE A 13 118.454 1.287 1.743 1.00 0.70 C ATOM 185 CG PHE A 13 119.150 1.138 3.063 1.00 0.71 C ATOM 186 CD1 PHE A 13 120.347 1.791 3.308 1.00 1.41 C ATOM 187 CD2 PHE A 13 118.607 0.345 4.060 1.00 1.13 C ATOM 188 CE1 PHE A 13 120.990 1.656 4.523 1.00 1.49 C ATOM 189 CE2 PHE A 13 119.245 0.206 5.278 1.00 1.11 C ATOM 190 CZ PHE A 13 120.438 0.863 5.510 1.00 0.82 C ATOM 191 H PHE A 13 119.907 2.499 0.055 1.00 0.66 H ATOM 192 HA PHE A 13 119.795 -0.134 0.904 1.00 0.63 H ATOM 193 HB2 PHE A 13 118.395 2.261 1.525 1.00 0.73 H ATOM 194 HB3 PHE A 13 117.533 0.907 1.826 1.00 0.75 H ATOM 195 HD1 PHE A 13 120.751 2.367 2.597 1.00 2.13 H ATOM 196 HD2 PHE A 13 117.744 -0.132 3.896 1.00 1.87 H ATOM 197 HE1 PHE A 13 121.854 2.133 4.686 1.00 2.28 H ATOM 198 HE2 PHE A 13 118.842 -0.370 5.990 1.00 1.80 H ATOM 199 HZ PHE A 13 120.901 0.765 6.391 1.00 0.90 H ATOM 200 N LYS A 14 117.337 0.719 -0.969 1.00 0.76 N ATOM 201 CA LYS A 14 116.309 0.225 -1.871 1.00 0.84 C ATOM 202 C LYS A 14 116.939 -0.540 -3.026 1.00 0.84 C ATOM 203 O LYS A 14 116.286 -1.355 -3.673 1.00 0.92 O ATOM 204 CB LYS A 14 115.468 1.386 -2.405 1.00 0.96 C ATOM 205 CG LYS A 14 114.452 1.918 -1.406 1.00 1.17 C ATOM 206 CD LYS A 14 114.962 1.816 0.023 1.00 1.11 C ATOM 207 CE LYS A 14 115.148 3.187 0.650 1.00 1.31 C ATOM 208 NZ LYS A 14 113.907 3.668 1.316 1.00 1.64 N ATOM 209 H LYS A 14 117.440 1.706 -0.844 1.00 0.76 H ATOM 210 HA LYS A 14 115.711 -0.397 -1.365 1.00 0.86 H ATOM 211 HB2 LYS A 14 116.084 2.132 -2.656 1.00 1.06 H ATOM 212 HB3 LYS A 14 114.977 1.072 -3.218 1.00 1.02 H ATOM 213 HG2 LYS A 14 114.263 2.878 -1.615 1.00 1.55 H ATOM 214 HG3 LYS A 14 113.608 1.387 -1.487 1.00 1.60 H ATOM 215 HD2 LYS A 14 114.302 1.298 0.567 1.00 1.48 H ATOM 216 HD3 LYS A 14 115.841 1.339 0.021 1.00 1.73 H ATOM 217 HE2 LYS A 14 115.880 3.135 1.329 1.00 1.77 H ATOM 218 HE3 LYS A 14 115.404 3.837 -0.065 1.00 1.41 H ATOM 219 HZ1 LYS A 14 113.059 3.750 0.793 1.00 1.73 H ATOM 220 HZ2 LYS A 14 113.528 3.163 2.091 1.00 2.06 H ATOM 221 HZ3 LYS A 14 113.884 4.576 1.735 1.00 2.13 H ATOM 222 N LYS A 15 118.218 -0.277 -3.273 1.00 0.79 N ATOM 223 CA LYS A 15 118.938 -0.951 -4.343 1.00 0.83 C ATOM 224 C LYS A 15 119.841 -2.033 -3.770 1.00 0.78 C ATOM 225 O LYS A 15 120.205 -2.985 -4.459 1.00 0.86 O ATOM 226 CB LYS A 15 119.762 0.052 -5.150 1.00 0.89 C ATOM 227 CG LYS A 15 120.027 -0.390 -6.580 1.00 1.31 C ATOM 228 CD LYS A 15 121.516 -0.427 -6.885 1.00 1.49 C ATOM 229 CE LYS A 15 122.262 0.675 -6.151 1.00 1.12 C ATOM 230 NZ LYS A 15 121.379 1.834 -5.843 1.00 1.77 N ATOM 231 H LYS A 15 118.696 0.399 -2.712 1.00 0.75 H ATOM 232 HA LYS A 15 118.274 -1.380 -4.956 1.00 0.92 H ATOM 233 HB2 LYS A 15 119.267 0.921 -5.174 1.00 1.16 H ATOM 234 HB3 LYS A 15 120.641 0.181 -4.691 1.00 1.55 H ATOM 235 HG2 LYS A 15 119.645 -1.305 -6.714 1.00 2.07 H ATOM 236 HG3 LYS A 15 119.583 0.251 -7.206 1.00 1.81 H ATOM 237 HD2 LYS A 15 121.884 -1.313 -6.602 1.00 2.06 H ATOM 238 HD3 LYS A 15 121.650 -0.310 -7.869 1.00 2.03 H ATOM 239 HE2 LYS A 15 122.622 0.306 -5.294 1.00 1.36 H ATOM 240 HE3 LYS A 15 123.020 0.989 -6.723 1.00 1.30 H ATOM 241 HZ1 LYS A 15 120.712 2.148 -6.519 1.00 2.10 H ATOM 242 HZ2 LYS A 15 120.756 1.794 -5.061 1.00 2.28 H ATOM 243 HZ3 LYS A 15 121.779 2.727 -5.639 1.00 2.28 H ATOM 244 N LEU A 16 120.191 -1.880 -2.498 1.00 0.70 N ATOM 245 CA LEU A 16 121.042 -2.845 -1.823 1.00 0.73 C ATOM 246 C LEU A 16 120.256 -4.109 -1.503 1.00 0.79 C ATOM 247 O LEU A 16 120.714 -5.216 -1.771 1.00 0.95 O ATOM 248 CB LEU A 16 121.649 -2.242 -0.551 1.00 0.71 C ATOM 249 CG LEU A 16 120.699 -2.103 0.639 1.00 0.64 C ATOM 250 CD1 LEU A 16 120.258 -3.466 1.136 1.00 0.75 C ATOM 251 CD2 LEU A 16 121.367 -1.320 1.759 1.00 0.76 C ATOM 252 H LEU A 16 119.861 -1.082 -1.993 1.00 0.67 H ATOM 253 HA LEU A 16 121.792 -3.088 -2.438 1.00 0.83 H ATOM 254 HB2 LEU A 16 122.411 -2.825 -0.268 1.00 0.90 H ATOM 255 HB3 LEU A 16 121.993 -1.330 -0.777 1.00 0.78 H ATOM 256 HG LEU A 16 119.895 -1.581 0.356 1.00 0.68 H ATOM 257 HD11 LEU A 16 121.059 -3.992 1.422 1.00 1.30 H ATOM 258 HD12 LEU A 16 119.639 -3.353 1.913 1.00 1.23 H ATOM 259 HD13 LEU A 16 119.785 -3.952 0.401 1.00 1.35 H ATOM 260 HD21 LEU A 16 122.194 -1.803 2.047 1.00 1.31 H ATOM 261 HD22 LEU A 16 121.613 -0.412 1.421 1.00 1.37 H ATOM 262 HD23 LEU A 16 120.746 -1.229 2.537 1.00 1.17 H ATOM 263 N ASP A 17 119.061 -3.945 -0.947 1.00 0.79 N ATOM 264 CA ASP A 17 118.230 -5.099 -0.626 1.00 0.90 C ATOM 265 C ASP A 17 116.766 -4.823 -0.932 1.00 0.98 C ATOM 266 O ASP A 17 115.896 -5.006 -0.080 1.00 1.67 O ATOM 267 CB ASP A 17 118.390 -5.515 0.838 1.00 0.95 C ATOM 268 CG ASP A 17 119.786 -6.016 1.151 1.00 1.78 C ATOM 269 OD1 ASP A 17 120.360 -6.739 0.309 1.00 2.44 O ATOM 270 OD2 ASP A 17 120.306 -5.687 2.238 1.00 2.46 O ATOM 271 H ASP A 17 118.729 -3.023 -0.747 1.00 0.81 H ATOM 272 HA ASP A 17 118.517 -5.840 -1.233 1.00 0.98 H ATOM 273 HB2 ASP A 17 118.194 -4.724 1.418 1.00 1.31 H ATOM 274 HB3 ASP A 17 117.735 -6.244 1.036 1.00 1.14 H ATOM 275 N ALA A 18 116.498 -4.397 -2.160 1.00 1.10 N ATOM 276 CA ALA A 18 115.139 -4.118 -2.582 1.00 1.25 C ATOM 277 C ALA A 18 114.361 -5.416 -2.699 1.00 1.27 C ATOM 278 O ALA A 18 113.150 -5.457 -2.483 1.00 1.48 O ATOM 279 CB ALA A 18 115.131 -3.373 -3.908 1.00 1.39 C ATOM 280 H ALA A 18 117.249 -4.266 -2.808 1.00 1.60 H ATOM 281 HA ALA A 18 114.700 -3.543 -1.891 1.00 1.31 H ATOM 282 HB1 ALA A 18 115.582 -3.933 -4.603 1.00 1.57 H ATOM 283 HB2 ALA A 18 114.190 -3.186 -4.189 1.00 1.89 H ATOM 284 HB3 ALA A 18 115.626 -2.510 -3.804 1.00 1.78 H ATOM 285 N ASN A 19 115.080 -6.482 -3.033 1.00 1.08 N ATOM 286 CA ASN A 19 114.480 -7.795 -3.171 1.00 1.10 C ATOM 287 C ASN A 19 115.457 -8.893 -2.763 1.00 1.02 C ATOM 288 O ASN A 19 115.049 -9.993 -2.393 1.00 1.07 O ATOM 289 CB ASN A 19 114.001 -8.020 -4.607 1.00 1.19 C ATOM 290 CG ASN A 19 114.945 -7.420 -5.631 1.00 1.34 C ATOM 291 OD1 ASN A 19 114.587 -6.487 -6.350 1.00 2.10 O ATOM 292 ND2 ASN A 19 116.158 -7.954 -5.701 1.00 1.24 N ATOM 293 H ASN A 19 116.061 -6.376 -3.194 1.00 0.97 H ATOM 294 HA ASN A 19 113.718 -7.834 -2.525 1.00 1.20 H ATOM 295 HB2 ASN A 19 113.931 -9.004 -4.771 1.00 1.27 H ATOM 296 HB3 ASN A 19 113.100 -7.599 -4.714 1.00 1.42 H ATOM 297 HD21 ASN A 19 116.406 -8.711 -5.097 1.00 1.42 H ATOM 298 HD22 ASN A 19 116.823 -7.599 -6.358 1.00 1.51 H ATOM 299 N GLY A 20 116.748 -8.586 -2.831 1.00 0.95 N ATOM 300 CA GLY A 20 117.763 -9.556 -2.462 1.00 0.98 C ATOM 301 C GLY A 20 117.401 -10.968 -2.880 1.00 1.07 C ATOM 302 O GLY A 20 116.500 -11.580 -2.308 1.00 1.16 O ATOM 303 H GLY A 20 117.024 -7.676 -3.140 1.00 0.94 H ATOM 304 HA2 GLY A 20 118.624 -9.302 -2.903 1.00 0.96 H ATOM 305 HA3 GLY A 20 117.879 -9.536 -1.469 1.00 1.02 H ATOM 306 N ASP A 21 118.108 -11.487 -3.878 1.00 1.14 N ATOM 307 CA ASP A 21 117.861 -12.832 -4.368 1.00 1.26 C ATOM 308 C ASP A 21 119.147 -13.471 -4.877 1.00 1.35 C ATOM 309 O ASP A 21 119.440 -14.629 -4.577 1.00 1.44 O ATOM 310 CB ASP A 21 116.813 -12.808 -5.481 1.00 1.33 C ATOM 311 CG ASP A 21 115.529 -13.508 -5.082 1.00 1.39 C ATOM 312 OD1 ASP A 21 115.575 -14.353 -4.163 1.00 1.60 O ATOM 313 OD2 ASP A 21 114.478 -13.212 -5.687 1.00 1.96 O ATOM 314 H ASP A 21 118.828 -10.938 -4.302 1.00 1.15 H ATOM 315 HA ASP A 21 117.559 -13.375 -3.585 1.00 1.27 H ATOM 316 HB2 ASP A 21 116.605 -11.856 -5.704 1.00 1.29 H ATOM 317 HB3 ASP A 21 117.191 -13.264 -6.287 1.00 1.41 H ATOM 318 N GLY A 22 119.909 -12.706 -5.646 1.00 1.35 N ATOM 319 CA GLY A 22 121.157 -13.202 -6.190 1.00 1.45 C ATOM 320 C GLY A 22 121.953 -12.103 -6.856 1.00 1.43 C ATOM 321 O GLY A 22 122.615 -12.329 -7.869 1.00 1.56 O ATOM 322 H GLY A 22 119.618 -11.772 -5.854 1.00 1.29 H ATOM 323 HA2 GLY A 22 121.702 -13.592 -5.448 1.00 1.44 H ATOM 324 HA3 GLY A 22 120.957 -13.912 -6.865 1.00 1.57 H ATOM 325 N TYR A 23 121.881 -10.905 -6.286 1.00 1.29 N ATOM 326 CA TYR A 23 122.594 -9.757 -6.830 1.00 1.28 C ATOM 327 C TYR A 23 123.387 -9.036 -5.745 1.00 1.17 C ATOM 328 O TYR A 23 122.820 -8.478 -4.807 1.00 1.23 O ATOM 329 CB TYR A 23 121.616 -8.792 -7.502 1.00 1.28 C ATOM 330 CG TYR A 23 120.897 -7.871 -6.541 1.00 1.18 C ATOM 331 CD1 TYR A 23 120.443 -8.331 -5.311 1.00 1.64 C ATOM 332 CD2 TYR A 23 120.667 -6.541 -6.868 1.00 1.65 C ATOM 333 CE1 TYR A 23 119.780 -7.491 -4.435 1.00 1.61 C ATOM 334 CE2 TYR A 23 120.005 -5.695 -5.998 1.00 1.61 C ATOM 335 CZ TYR A 23 119.564 -6.175 -4.784 1.00 1.06 C ATOM 336 OH TYR A 23 118.904 -5.337 -3.915 1.00 1.04 O ATOM 337 H TYR A 23 121.324 -10.789 -5.464 1.00 1.21 H ATOM 338 HA TYR A 23 123.243 -10.094 -7.512 1.00 1.37 H ATOM 339 HB2 TYR A 23 122.127 -8.230 -8.153 1.00 1.33 H ATOM 340 HB3 TYR A 23 120.931 -9.330 -7.993 1.00 1.35 H ATOM 341 HD1 TYR A 23 120.598 -9.285 -5.055 1.00 2.41 H ATOM 342 HD2 TYR A 23 120.986 -6.189 -7.748 1.00 2.43 H ATOM 343 HE1 TYR A 23 119.459 -7.837 -3.553 1.00 2.37 H ATOM 344 HE2 TYR A 23 119.847 -4.740 -6.248 1.00 2.37 H ATOM 345 HH TYR A 23 119.181 -4.379 -3.836 1.00 1.36 H ATOM 346 N VAL A 24 124.705 -9.062 -5.889 1.00 1.10 N ATOM 347 CA VAL A 24 125.604 -8.425 -4.944 1.00 1.00 C ATOM 348 C VAL A 24 125.079 -7.069 -4.505 1.00 0.88 C ATOM 349 O VAL A 24 124.907 -6.158 -5.315 1.00 0.90 O ATOM 350 CB VAL A 24 127.005 -8.255 -5.547 1.00 1.06 C ATOM 351 CG1 VAL A 24 128.020 -7.942 -4.460 1.00 0.97 C ATOM 352 CG2 VAL A 24 127.396 -9.506 -6.318 1.00 1.26 C ATOM 353 H VAL A 24 125.094 -9.538 -6.678 1.00 1.18 H ATOM 354 HA VAL A 24 125.653 -9.008 -4.133 1.00 1.01 H ATOM 355 HB VAL A 24 126.976 -7.471 -6.167 1.00 1.07 H ATOM 356 HG11 VAL A 24 128.048 -8.689 -3.796 1.00 1.42 H ATOM 357 HG12 VAL A 24 128.920 -7.837 -4.883 1.00 1.34 H ATOM 358 HG13 VAL A 24 127.769 -7.093 -3.995 1.00 1.29 H ATOM 359 HG21 VAL A 24 126.742 -9.665 -7.058 1.00 1.72 H ATOM 360 HG22 VAL A 24 128.310 -9.376 -6.703 1.00 1.75 H ATOM 361 HG23 VAL A 24 127.402 -10.294 -5.703 1.00 1.42 H ATOM 362 N THR A 25 124.825 -6.951 -3.213 1.00 0.79 N ATOM 363 CA THR A 25 124.314 -5.715 -2.637 1.00 0.69 C ATOM 364 C THR A 25 124.765 -5.553 -1.190 1.00 0.63 C ATOM 365 O THR A 25 125.633 -6.283 -0.712 1.00 0.66 O ATOM 366 CB THR A 25 122.790 -5.701 -2.705 1.00 0.71 C ATOM 367 OG1 THR A 25 122.244 -6.635 -1.791 1.00 0.82 O ATOM 368 CG2 THR A 25 122.247 -6.032 -4.077 1.00 0.82 C ATOM 369 H THR A 25 124.989 -7.734 -2.613 1.00 0.82 H ATOM 370 HA THR A 25 124.685 -4.950 -3.164 1.00 0.70 H ATOM 371 HB THR A 25 122.485 -4.792 -2.420 1.00 0.74 H ATOM 372 HG1 THR A 25 121.252 -6.723 -1.699 1.00 1.12 H ATOM 373 HG21 THR A 25 122.553 -6.946 -4.343 1.00 1.27 H ATOM 374 HG22 THR A 25 121.247 -6.007 -4.058 1.00 1.26 H ATOM 375 HG23 THR A 25 122.585 -5.362 -4.738 1.00 1.37 H ATOM 376 N ALA A 26 124.164 -4.590 -0.496 1.00 0.58 N ATOM 377 CA ALA A 26 124.498 -4.333 0.900 1.00 0.56 C ATOM 378 C ALA A 26 124.498 -5.630 1.696 1.00 0.60 C ATOM 379 O ALA A 26 125.075 -5.708 2.785 1.00 0.61 O ATOM 380 CB ALA A 26 123.524 -3.337 1.509 1.00 0.62 C ATOM 381 H ALA A 26 123.467 -4.029 -0.942 1.00 0.59 H ATOM 382 HA ALA A 26 125.415 -3.937 0.939 1.00 0.55 H ATOM 383 HB1 ALA A 26 123.568 -2.478 0.998 1.00 1.15 H ATOM 384 HB2 ALA A 26 122.597 -3.709 1.457 1.00 1.19 H ATOM 385 HB3 ALA A 26 123.763 -3.169 2.465 1.00 1.21 H ATOM 386 N LEU A 27 123.855 -6.653 1.137 1.00 0.65 N ATOM 387 CA LEU A 27 123.791 -7.952 1.786 1.00 0.73 C ATOM 388 C LEU A 27 125.150 -8.291 2.376 1.00 0.72 C ATOM 389 O LEU A 27 125.260 -9.088 3.306 1.00 0.79 O ATOM 390 CB LEU A 27 123.352 -9.022 0.789 1.00 0.80 C ATOM 391 CG LEU A 27 124.409 -9.416 -0.242 1.00 0.82 C ATOM 392 CD1 LEU A 27 124.836 -10.862 -0.046 1.00 0.92 C ATOM 393 CD2 LEU A 27 123.878 -9.199 -1.649 1.00 0.87 C ATOM 394 H LEU A 27 123.407 -6.525 0.252 1.00 0.66 H ATOM 395 HA LEU A 27 123.124 -7.904 2.530 1.00 0.77 H ATOM 396 HB2 LEU A 27 123.100 -9.842 1.303 1.00 0.87 H ATOM 397 HB3 LEU A 27 122.552 -8.679 0.297 1.00 0.79 H ATOM 398 HG LEU A 27 125.206 -8.821 -0.138 1.00 0.76 H ATOM 399 HD11 LEU A 27 124.042 -11.461 -0.151 1.00 1.26 H ATOM 400 HD12 LEU A 27 125.527 -11.101 -0.729 1.00 1.37 H ATOM 401 HD13 LEU A 27 125.220 -10.975 0.870 1.00 1.34 H ATOM 402 HD21 LEU A 27 123.643 -8.234 -1.764 1.00 1.41 H ATOM 403 HD22 LEU A 27 124.569 -9.457 -2.324 1.00 1.19 H ATOM 404 HD23 LEU A 27 123.060 -9.759 -1.779 1.00 1.31 H ATOM 405 N GLU A 28 126.177 -7.646 1.835 1.00 0.66 N ATOM 406 CA GLU A 28 127.536 -7.818 2.301 1.00 0.66 C ATOM 407 C GLU A 28 127.936 -6.578 3.083 1.00 0.60 C ATOM 408 O GLU A 28 128.763 -6.627 4.004 1.00 0.62 O ATOM 409 CB GLU A 28 128.487 -8.043 1.126 1.00 0.69 C ATOM 410 CG GLU A 28 128.014 -7.401 -0.168 1.00 0.74 C ATOM 411 CD GLU A 28 129.093 -7.372 -1.232 1.00 1.81 C ATOM 412 OE1 GLU A 28 130.196 -7.898 -0.974 1.00 2.61 O ATOM 413 OE2 GLU A 28 128.834 -6.824 -2.324 1.00 2.52 O ATOM 414 H GLU A 28 126.005 -7.017 1.077 1.00 0.63 H ATOM 415 HA GLU A 28 127.596 -8.624 2.890 1.00 0.72 H ATOM 416 HB2 GLU A 28 129.379 -7.658 1.362 1.00 0.68 H ATOM 417 HB3 GLU A 28 128.578 -9.028 0.976 1.00 0.84 H ATOM 418 HG2 GLU A 28 127.234 -7.920 -0.518 1.00 1.14 H ATOM 419 HG3 GLU A 28 127.730 -6.462 0.024 1.00 1.07 H ATOM 420 N LEU A 29 127.306 -5.464 2.719 1.00 0.54 N ATOM 421 CA LEU A 29 127.550 -4.201 3.392 1.00 0.50 C ATOM 422 C LEU A 29 127.328 -4.397 4.876 1.00 0.55 C ATOM 423 O LEU A 29 128.018 -3.812 5.712 1.00 0.56 O ATOM 424 CB LEU A 29 126.623 -3.110 2.851 1.00 0.49 C ATOM 425 CG LEU A 29 126.572 -1.830 3.688 1.00 0.57 C ATOM 426 CD1 LEU A 29 127.765 -0.940 3.376 1.00 0.82 C ATOM 427 CD2 LEU A 29 125.269 -1.084 3.440 1.00 0.60 C ATOM 428 H LEU A 29 126.650 -5.497 1.965 1.00 0.54 H ATOM 429 HA LEU A 29 128.502 -3.934 3.241 1.00 0.49 H ATOM 430 HB2 LEU A 29 126.933 -2.867 1.932 1.00 0.60 H ATOM 431 HB3 LEU A 29 125.697 -3.485 2.802 1.00 0.61 H ATOM 432 HG LEU A 29 126.587 -2.072 4.658 1.00 0.75 H ATOM 433 HD11 LEU A 29 127.754 -0.694 2.407 1.00 1.32 H ATOM 434 HD12 LEU A 29 127.714 -0.110 3.932 1.00 1.37 H ATOM 435 HD13 LEU A 29 128.611 -1.430 3.585 1.00 1.39 H ATOM 436 HD21 LEU A 29 125.207 -0.850 2.470 1.00 1.20 H ATOM 437 HD22 LEU A 29 124.502 -1.675 3.690 1.00 1.11 H ATOM 438 HD23 LEU A 29 125.237 -0.248 3.988 1.00 1.23 H ATOM 439 N GLN A 30 126.372 -5.261 5.188 1.00 0.63 N ATOM 440 CA GLN A 30 126.063 -5.587 6.570 1.00 0.72 C ATOM 441 C GLN A 30 127.282 -6.228 7.208 1.00 0.74 C ATOM 442 O GLN A 30 127.652 -5.920 8.343 1.00 0.78 O ATOM 443 CB GLN A 30 124.863 -6.533 6.648 1.00 0.82 C ATOM 444 CG GLN A 30 125.196 -7.891 7.246 1.00 1.05 C ATOM 445 CD GLN A 30 125.934 -8.795 6.277 1.00 0.90 C ATOM 446 OE1 GLN A 30 126.299 -9.921 6.617 1.00 1.09 O ATOM 447 NE2 GLN A 30 126.158 -8.305 5.064 1.00 0.78 N ATOM 448 H GLN A 30 125.851 -5.699 4.455 1.00 0.65 H ATOM 449 HA GLN A 30 125.873 -4.733 7.055 1.00 0.73 H ATOM 450 HB2 GLN A 30 124.158 -6.104 7.212 1.00 0.95 H ATOM 451 HB3 GLN A 30 124.510 -6.674 5.723 1.00 1.11 H ATOM 452 HG2 GLN A 30 125.769 -7.753 8.054 1.00 1.48 H ATOM 453 HG3 GLN A 30 124.344 -8.339 7.515 1.00 1.48 H ATOM 454 HE21 GLN A 30 125.844 -7.385 4.831 1.00 0.86 H ATOM 455 HE22 GLN A 30 126.641 -8.856 4.384 1.00 0.76 H ATOM 456 N THR A 31 127.926 -7.092 6.437 1.00 0.73 N ATOM 457 CA THR A 31 129.132 -7.758 6.880 1.00 0.78 C ATOM 458 C THR A 31 130.231 -6.726 6.975 1.00 0.74 C ATOM 459 O THR A 31 131.038 -6.721 7.907 1.00 0.80 O ATOM 460 CB THR A 31 129.526 -8.874 5.910 1.00 0.82 C ATOM 461 OG1 THR A 31 130.059 -9.983 6.611 1.00 1.47 O ATOM 462 CG2 THR A 31 130.553 -8.441 4.886 1.00 1.29 C ATOM 463 H THR A 31 127.569 -7.289 5.524 1.00 0.71 H ATOM 464 HA THR A 31 128.973 -8.143 7.789 1.00 0.85 H ATOM 465 HB THR A 31 128.691 -9.184 5.455 1.00 1.32 H ATOM 466 HG1 THR A 31 130.369 -10.790 6.109 1.00 1.85 H ATOM 467 HG21 THR A 31 130.184 -7.686 4.344 1.00 1.80 H ATOM 468 HG22 THR A 31 131.384 -8.141 5.355 1.00 1.91 H ATOM 469 HG23 THR A 31 130.770 -9.209 4.283 1.00 1.76 H ATOM 470 N PHE A 32 130.221 -5.820 6.011 1.00 0.66 N ATOM 471 CA PHE A 32 131.186 -4.738 5.985 1.00 0.64 C ATOM 472 C PHE A 32 130.971 -3.855 7.201 1.00 0.68 C ATOM 473 O PHE A 32 131.914 -3.494 7.911 1.00 0.74 O ATOM 474 CB PHE A 32 131.038 -3.918 4.705 1.00 0.58 C ATOM 475 CG PHE A 32 132.046 -2.812 4.578 1.00 0.56 C ATOM 476 CD1 PHE A 32 133.393 -3.098 4.420 1.00 1.19 C ATOM 477 CD2 PHE A 32 131.647 -1.486 4.617 1.00 1.31 C ATOM 478 CE1 PHE A 32 134.322 -2.082 4.302 1.00 1.20 C ATOM 479 CE2 PHE A 32 132.571 -0.465 4.500 1.00 1.42 C ATOM 480 CZ PHE A 32 133.911 -0.764 4.342 1.00 0.79 C ATOM 481 H PHE A 32 129.535 -5.883 5.286 1.00 0.63 H ATOM 482 HA PHE A 32 132.092 -5.151 6.081 1.00 0.68 H ATOM 483 HB2 PHE A 32 131.142 -4.532 3.923 1.00 0.65 H ATOM 484 HB3 PHE A 32 130.123 -3.515 4.692 1.00 0.61 H ATOM 485 HD1 PHE A 32 133.697 -4.050 4.391 1.00 2.01 H ATOM 486 HD2 PHE A 32 130.678 -1.265 4.731 1.00 2.10 H ATOM 487 HE1 PHE A 32 135.291 -2.303 4.187 1.00 1.98 H ATOM 488 HE2 PHE A 32 132.269 0.488 4.530 1.00 2.26 H ATOM 489 HZ PHE A 32 134.582 -0.028 4.257 1.00 0.94 H ATOM 490 N MET A 33 129.708 -3.535 7.440 1.00 0.70 N ATOM 491 CA MET A 33 129.323 -2.715 8.575 1.00 0.76 C ATOM 492 C MET A 33 129.573 -3.468 9.869 1.00 0.85 C ATOM 493 O MET A 33 129.968 -2.883 10.877 1.00 0.93 O ATOM 494 CB MET A 33 127.851 -2.310 8.474 1.00 0.80 C ATOM 495 CG MET A 33 127.610 -1.109 7.574 1.00 1.06 C ATOM 496 SD MET A 33 126.371 0.021 8.239 1.00 1.68 S ATOM 497 CE MET A 33 125.452 -1.077 9.314 1.00 2.39 C ATOM 498 H MET A 33 128.998 -3.868 6.820 1.00 0.69 H ATOM 499 HA MET A 33 129.900 -1.898 8.577 1.00 0.76 H ATOM 500 HB2 MET A 33 127.333 -3.085 8.111 1.00 0.97 H ATOM 501 HB3 MET A 33 127.520 -2.088 9.391 1.00 1.24 H ATOM 502 HG2 MET A 33 128.474 -0.618 7.467 1.00 1.49 H ATOM 503 HG3 MET A 33 127.303 -1.441 6.682 1.00 1.45 H ATOM 504 HE1 MET A 33 126.070 -1.452 10.005 1.00 2.82 H ATOM 505 HE2 MET A 33 124.712 -0.577 9.764 1.00 2.73 H ATOM 506 HE3 MET A 33 125.068 -1.823 8.770 1.00 2.92 H ATOM 507 N VAL A 34 129.361 -4.776 9.824 1.00 0.85 N ATOM 508 CA VAL A 34 129.590 -5.617 10.991 1.00 0.96 C ATOM 509 C VAL A 34 131.077 -5.879 11.153 1.00 0.98 C ATOM 510 O VAL A 34 131.591 -5.967 12.268 1.00 1.06 O ATOM 511 CB VAL A 34 128.839 -6.960 10.904 1.00 1.01 C ATOM 512 CG1 VAL A 34 127.384 -6.737 10.520 1.00 1.04 C ATOM 513 CG2 VAL A 34 129.524 -7.894 9.921 1.00 1.04 C ATOM 514 H VAL A 34 129.038 -5.192 8.974 1.00 0.80 H ATOM 515 HA VAL A 34 129.274 -5.119 11.798 1.00 1.02 H ATOM 516 HB VAL A 34 128.851 -7.374 11.814 1.00 1.07 H ATOM 517 HG11 VAL A 34 126.935 -6.166 11.208 1.00 1.53 H ATOM 518 HG12 VAL A 34 127.333 -6.287 9.628 1.00 1.56 H ATOM 519 HG13 VAL A 34 126.926 -7.624 10.472 1.00 1.28 H ATOM 520 HG21 VAL A 34 129.538 -7.475 9.013 1.00 1.47 H ATOM 521 HG22 VAL A 34 130.461 -8.070 10.222 1.00 1.34 H ATOM 522 HG23 VAL A 34 129.019 -8.756 9.882 1.00 1.53 H ATOM 523 N THR A 35 131.765 -5.977 10.023 1.00 0.91 N ATOM 524 CA THR A 35 133.201 -6.199 10.021 1.00 0.96 C ATOM 525 C THR A 35 133.925 -4.895 10.331 1.00 0.92 C ATOM 526 O THR A 35 135.046 -4.895 10.839 1.00 0.99 O ATOM 527 CB THR A 35 133.661 -6.747 8.668 1.00 0.93 C ATOM 528 OG1 THR A 35 134.691 -7.703 8.839 1.00 1.43 O ATOM 529 CG2 THR A 35 134.181 -5.675 7.734 1.00 1.46 C ATOM 530 H THR A 35 131.283 -5.896 9.150 1.00 0.85 H ATOM 531 HA THR A 35 133.420 -6.859 10.740 1.00 1.07 H ATOM 532 HB THR A 35 132.882 -7.220 8.256 1.00 1.21 H ATOM 533 HG1 THR A 35 135.058 -8.190 8.046 1.00 1.71 H ATOM 534 HG21 THR A 35 134.963 -5.217 8.156 1.00 2.03 H ATOM 535 HG22 THR A 35 134.465 -6.092 6.871 1.00 1.88 H ATOM 536 HG23 THR A 35 133.458 -5.007 7.559 1.00 1.94 H ATOM 537 N LEU A 36 133.261 -3.783 10.027 1.00 0.83 N ATOM 538 CA LEU A 36 133.814 -2.461 10.275 1.00 0.83 C ATOM 539 C LEU A 36 132.707 -1.414 10.291 1.00 0.80 C ATOM 540 O LEU A 36 132.684 -0.504 9.462 1.00 0.74 O ATOM 541 CB LEU A 36 134.856 -2.107 9.216 1.00 0.77 C ATOM 542 CG LEU A 36 134.459 -2.443 7.778 1.00 0.65 C ATOM 543 CD1 LEU A 36 133.402 -1.471 7.276 1.00 0.57 C ATOM 544 CD2 LEU A 36 135.680 -2.420 6.871 1.00 0.73 C ATOM 545 H LEU A 36 132.353 -3.859 9.615 1.00 0.79 H ATOM 546 HA LEU A 36 134.253 -2.467 11.173 1.00 0.94 H ATOM 547 HB2 LEU A 36 135.029 -1.123 9.267 1.00 0.77 H ATOM 548 HB3 LEU A 36 135.697 -2.605 9.429 1.00 0.87 H ATOM 549 HG LEU A 36 134.092 -3.373 7.748 1.00 0.69 H ATOM 550 HD11 LEU A 36 132.591 -1.529 7.858 1.00 1.26 H ATOM 551 HD12 LEU A 36 133.765 -0.540 7.303 1.00 1.13 H ATOM 552 HD13 LEU A 36 133.155 -1.706 6.336 1.00 1.09 H ATOM 553 HD21 LEU A 36 136.090 -1.508 6.899 1.00 1.39 H ATOM 554 HD22 LEU A 36 136.343 -3.093 7.199 1.00 1.26 H ATOM 555 HD23 LEU A 36 135.419 -2.640 5.931 1.00 1.07 H ATOM 556 N ASP A 37 131.787 -1.558 11.237 1.00 0.90 N ATOM 557 CA ASP A 37 130.665 -0.633 11.367 1.00 0.95 C ATOM 558 C ASP A 37 131.146 0.811 11.389 1.00 1.00 C ATOM 559 O ASP A 37 130.389 1.734 11.087 1.00 1.06 O ATOM 560 CB ASP A 37 129.867 -0.937 12.637 1.00 1.09 C ATOM 561 CG ASP A 37 130.156 -2.319 13.189 1.00 1.97 C ATOM 562 OD1 ASP A 37 131.336 -2.727 13.180 1.00 2.64 O ATOM 563 OD2 ASP A 37 129.202 -2.993 13.630 1.00 2.71 O ATOM 564 H ASP A 37 131.865 -2.321 11.878 1.00 0.97 H ATOM 565 HA ASP A 37 130.106 -0.739 10.545 1.00 0.88 H ATOM 566 HB2 ASP A 37 130.102 -0.257 13.332 1.00 1.43 H ATOM 567 HB3 ASP A 37 128.892 -0.873 12.424 1.00 1.46 H ATOM 568 N ALA A 38 132.408 0.999 11.747 1.00 1.01 N ATOM 569 CA ALA A 38 132.993 2.332 11.808 1.00 1.09 C ATOM 570 C ALA A 38 134.193 2.442 10.876 1.00 0.99 C ATOM 571 O ALA A 38 135.112 3.224 11.120 1.00 1.07 O ATOM 572 CB ALA A 38 133.397 2.668 13.236 1.00 1.33 C ATOM 573 H ALA A 38 132.972 0.207 11.981 1.00 1.00 H ATOM 574 HA ALA A 38 132.303 2.994 11.514 1.00 1.10 H ATOM 575 HB1 ALA A 38 134.068 1.999 13.556 1.00 1.81 H ATOM 576 HB2 ALA A 38 133.797 3.584 13.268 1.00 1.63 H ATOM 577 HB3 ALA A 38 132.589 2.636 13.824 1.00 1.70 H ATOM 578 N TYR A 39 134.179 1.652 9.808 1.00 0.84 N ATOM 579 CA TYR A 39 135.268 1.660 8.841 1.00 0.81 C ATOM 580 C TYR A 39 136.616 1.622 9.551 1.00 0.98 C ATOM 581 O TYR A 39 137.647 1.956 8.969 1.00 1.04 O ATOM 582 CB TYR A 39 135.179 2.902 7.952 1.00 0.80 C ATOM 583 CG TYR A 39 133.840 3.600 8.023 1.00 0.96 C ATOM 584 CD1 TYR A 39 133.598 4.587 8.971 1.00 1.38 C ATOM 585 CD2 TYR A 39 132.817 3.273 7.142 1.00 1.71 C ATOM 586 CE1 TYR A 39 132.375 5.226 9.040 1.00 1.61 C ATOM 587 CE2 TYR A 39 131.591 3.908 7.204 1.00 2.04 C ATOM 588 CZ TYR A 39 131.376 4.883 8.155 1.00 1.68 C ATOM 589 OH TYR A 39 130.156 5.517 8.220 1.00 2.10 O ATOM 590 H TYR A 39 133.403 1.038 9.665 1.00 0.80 H ATOM 591 HA TYR A 39 135.191 0.835 8.281 1.00 0.75 H ATOM 592 HB2 TYR A 39 135.888 3.547 8.238 1.00 0.94 H ATOM 593 HB3 TYR A 39 135.342 2.626 7.005 1.00 0.85 H ATOM 594 HD1 TYR A 39 134.321 4.839 9.614 1.00 2.00 H ATOM 595 HD2 TYR A 39 132.971 2.566 6.451 1.00 2.34 H ATOM 596 HE1 TYR A 39 132.216 5.934 9.728 1.00 2.21 H ATOM 597 HE2 TYR A 39 130.864 3.662 6.563 1.00 2.83 H ATOM 598 HH TYR A 39 129.669 5.576 9.091 1.00 2.02 H ATOM 599 N LYS A 40 136.599 1.214 10.815 1.00 1.17 N ATOM 600 CA LYS A 40 137.817 1.134 11.609 1.00 1.42 C ATOM 601 C LYS A 40 138.748 0.046 11.081 1.00 1.51 C ATOM 602 O LYS A 40 139.324 -0.718 11.855 1.00 1.88 O ATOM 603 CB LYS A 40 137.476 0.860 13.075 1.00 1.75 C ATOM 604 CG LYS A 40 138.308 1.670 14.056 1.00 2.28 C ATOM 605 CD LYS A 40 137.785 3.092 14.190 1.00 2.70 C ATOM 606 CE LYS A 40 136.289 3.163 13.930 1.00 2.81 C ATOM 607 NZ LYS A 40 135.514 2.367 14.921 1.00 3.81 N ATOM 608 H LYS A 40 135.728 0.955 11.232 1.00 1.18 H ATOM 609 HA LYS A 40 138.292 2.012 11.551 1.00 1.59 H ATOM 610 HB2 LYS A 40 136.512 1.080 13.221 1.00 2.05 H ATOM 611 HB3 LYS A 40 137.628 -0.111 13.258 1.00 2.09 H ATOM 612 HG2 LYS A 40 138.277 1.227 14.952 1.00 2.79 H ATOM 613 HG3 LYS A 40 139.254 1.701 13.732 1.00 2.55 H ATOM 614 HD2 LYS A 40 137.969 3.420 15.116 1.00 3.32 H ATOM 615 HD3 LYS A 40 138.257 3.676 13.529 1.00 2.86 H ATOM 616 HE2 LYS A 40 135.997 4.118 13.983 1.00 2.69 H ATOM 617 HE3 LYS A 40 136.103 2.808 13.014 1.00 2.73 H ATOM 618 HZ1 LYS A 40 135.694 1.389 15.027 1.00 4.24 H ATOM 619 HZ2 LYS A 40 135.548 2.607 15.891 1.00 4.21 H ATOM 620 HZ3 LYS A 40 134.519 2.303 14.843 1.00 4.09 H ATOM 621 N ALA A 41 138.892 -0.020 9.760 1.00 1.58 N ATOM 622 CA ALA A 41 139.755 -1.018 9.140 1.00 1.99 C ATOM 623 C ALA A 41 140.125 -0.632 7.709 1.00 1.75 C ATOM 624 O ALA A 41 140.578 -1.472 6.932 1.00 2.21 O ATOM 625 CB ALA A 41 139.079 -2.381 9.160 1.00 2.54 C ATOM 626 H ALA A 41 138.398 0.628 9.181 1.00 1.61 H ATOM 627 HA ALA A 41 140.598 -1.079 9.675 1.00 2.33 H ATOM 628 HB1 ALA A 41 138.217 -2.331 8.655 1.00 2.96 H ATOM 629 HB2 ALA A 41 139.677 -3.060 8.733 1.00 2.68 H ATOM 630 HB3 ALA A 41 138.896 -2.646 10.107 1.00 2.96 H ATOM 631 N LEU A 42 139.933 0.638 7.364 1.00 1.28 N ATOM 632 CA LEU A 42 140.253 1.117 6.028 1.00 1.28 C ATOM 633 C LEU A 42 141.691 1.627 5.959 1.00 1.44 C ATOM 634 O LEU A 42 142.636 0.882 6.220 1.00 2.31 O ATOM 635 CB LEU A 42 139.275 2.215 5.596 1.00 1.52 C ATOM 636 CG LEU A 42 139.212 3.451 6.501 1.00 1.84 C ATOM 637 CD1 LEU A 42 137.873 3.518 7.218 1.00 1.69 C ATOM 638 CD2 LEU A 42 140.356 3.453 7.505 1.00 2.65 C ATOM 639 H LEU A 42 139.561 1.277 8.037 1.00 1.23 H ATOM 640 HA LEU A 42 140.163 0.351 5.391 1.00 1.90 H ATOM 641 HB2 LEU A 42 139.540 2.519 4.681 1.00 2.08 H ATOM 642 HB3 LEU A 42 138.359 1.814 5.562 1.00 1.92 H ATOM 643 HG LEU A 42 139.328 4.272 5.942 1.00 2.52 H ATOM 644 HD11 LEU A 42 137.753 2.699 7.779 1.00 2.04 H ATOM 645 HD12 LEU A 42 137.851 4.329 7.802 1.00 2.01 H ATOM 646 HD13 LEU A 42 137.135 3.572 6.545 1.00 2.08 H ATOM 647 HD21 LEU A 42 141.223 3.452 7.007 1.00 3.07 H ATOM 648 HD22 LEU A 42 140.309 4.261 8.092 1.00 3.15 H ATOM 649 HD23 LEU A 42 140.294 2.629 8.068 1.00 3.00 H ATOM 650 N SER A 43 141.849 2.899 5.607 1.00 1.61 N ATOM 651 CA SER A 43 143.172 3.505 5.507 1.00 2.31 C ATOM 652 C SER A 43 144.158 2.564 4.829 1.00 2.04 C ATOM 653 O SER A 43 144.398 2.654 3.625 1.00 2.17 O ATOM 654 CB SER A 43 143.692 3.890 6.894 1.00 3.26 C ATOM 655 OG SER A 43 142.798 3.476 7.912 1.00 3.73 O ATOM 656 H SER A 43 141.042 3.454 5.406 1.00 1.90 H ATOM 657 HA SER A 43 143.089 4.321 4.935 1.00 2.74 H ATOM 658 HB2 SER A 43 144.579 3.453 7.041 1.00 3.47 H ATOM 659 HB3 SER A 43 143.798 4.883 6.937 1.00 3.78 H ATOM 660 HG SER A 43 141.915 3.934 8.019 1.00 3.41 H ATOM 661 N LYS A 44 144.728 1.668 5.618 1.00 1.82 N ATOM 662 CA LYS A 44 145.700 0.705 5.113 1.00 1.83 C ATOM 663 C LYS A 44 145.215 0.055 3.826 1.00 1.61 C ATOM 664 O LYS A 44 145.968 -0.073 2.861 1.00 2.09 O ATOM 665 CB LYS A 44 145.983 -0.368 6.166 1.00 2.04 C ATOM 666 CG LYS A 44 147.379 -0.281 6.763 1.00 2.41 C ATOM 667 CD LYS A 44 147.434 0.712 7.912 1.00 2.91 C ATOM 668 CE LYS A 44 146.398 1.812 7.749 1.00 3.26 C ATOM 669 NZ LYS A 44 146.693 2.986 8.617 1.00 4.14 N ATOM 670 H LYS A 44 144.486 1.651 6.588 1.00 1.81 H ATOM 671 HA LYS A 44 146.554 1.189 4.921 1.00 2.13 H ATOM 672 HB2 LYS A 44 145.316 -0.270 6.905 1.00 2.21 H ATOM 673 HB3 LYS A 44 145.877 -1.266 5.739 1.00 2.38 H ATOM 674 HG2 LYS A 44 147.645 -1.184 7.101 1.00 2.88 H ATOM 675 HG3 LYS A 44 148.019 0.010 6.052 1.00 2.64 H ATOM 676 HD2 LYS A 44 147.260 0.227 8.769 1.00 3.33 H ATOM 677 HD3 LYS A 44 148.344 1.125 7.941 1.00 3.28 H ATOM 678 HE2 LYS A 44 146.390 2.109 6.794 1.00 3.30 H ATOM 679 HE3 LYS A 44 145.499 1.448 7.992 1.00 3.27 H ATOM 680 HZ1 LYS A 44 147.577 3.449 8.548 1.00 4.73 H ATOM 681 HZ2 LYS A 44 146.119 3.803 8.565 1.00 4.24 H ATOM 682 HZ3 LYS A 44 146.680 2.888 9.612 1.00 4.40 H ATOM 683 N ASP A 45 143.953 -0.345 3.824 1.00 1.45 N ATOM 684 CA ASP A 45 143.342 -0.983 2.659 1.00 1.52 C ATOM 685 C ASP A 45 142.749 -2.339 3.018 1.00 1.34 C ATOM 686 O ASP A 45 142.531 -3.184 2.149 1.00 1.60 O ATOM 687 CB ASP A 45 144.367 -1.155 1.543 1.00 1.96 C ATOM 688 CG ASP A 45 145.444 -2.162 1.895 1.00 2.39 C ATOM 689 OD1 ASP A 45 145.094 -3.274 2.342 1.00 2.84 O ATOM 690 OD2 ASP A 45 146.639 -1.839 1.723 1.00 3.00 O ATOM 691 H ASP A 45 143.400 -0.206 4.646 1.00 1.74 H ATOM 692 HA ASP A 45 142.580 -0.400 2.378 1.00 1.66 H ATOM 693 HB2 ASP A 45 143.894 -1.465 0.719 1.00 2.38 H ATOM 694 HB3 ASP A 45 144.799 -0.271 1.366 1.00 2.32 H ATOM 695 N LYS A 46 142.486 -2.538 4.300 1.00 1.10 N ATOM 696 CA LYS A 46 141.912 -3.790 4.777 1.00 1.08 C ATOM 697 C LYS A 46 140.437 -3.874 4.410 1.00 0.96 C ATOM 698 O LYS A 46 139.767 -4.865 4.701 1.00 1.20 O ATOM 699 CB LYS A 46 142.081 -3.915 6.293 1.00 1.23 C ATOM 700 CG LYS A 46 143.517 -4.156 6.727 1.00 1.43 C ATOM 701 CD LYS A 46 144.254 -2.847 6.960 1.00 1.91 C ATOM 702 CE LYS A 46 143.344 -1.799 7.578 1.00 2.19 C ATOM 703 NZ LYS A 46 144.080 -0.906 8.515 1.00 2.94 N ATOM 704 H LYS A 46 142.686 -1.811 4.957 1.00 1.16 H ATOM 705 HA LYS A 46 142.393 -4.549 4.339 1.00 1.26 H ATOM 706 HB2 LYS A 46 141.760 -3.068 6.717 1.00 1.67 H ATOM 707 HB3 LYS A 46 141.521 -4.680 6.611 1.00 1.57 H ATOM 708 HG2 LYS A 46 143.516 -4.684 7.576 1.00 1.86 H ATOM 709 HG3 LYS A 46 143.990 -4.673 6.014 1.00 1.95 H ATOM 710 HD2 LYS A 46 145.024 -3.012 7.576 1.00 2.35 H ATOM 711 HD3 LYS A 46 144.595 -2.505 6.084 1.00 2.47 H ATOM 712 HE2 LYS A 46 142.947 -1.244 6.847 1.00 2.52 H ATOM 713 HE3 LYS A 46 142.613 -2.261 8.079 1.00 2.26 H ATOM 714 HZ1 LYS A 46 144.973 -1.181 8.870 1.00 3.03 H ATOM 715 HZ2 LYS A 46 144.339 0.016 8.227 1.00 3.40 H ATOM 716 HZ3 LYS A 46 143.669 -0.653 9.391 1.00 3.46 H ATOM 717 N VAL A 47 139.939 -2.824 3.767 1.00 0.87 N ATOM 718 CA VAL A 47 138.545 -2.773 3.355 1.00 0.85 C ATOM 719 C VAL A 47 138.368 -3.331 1.947 1.00 0.85 C ATOM 720 O VAL A 47 137.374 -3.995 1.651 1.00 0.85 O ATOM 721 CB VAL A 47 137.999 -1.334 3.396 1.00 0.98 C ATOM 722 CG1 VAL A 47 136.824 -1.180 2.443 1.00 1.13 C ATOM 723 CG2 VAL A 47 137.598 -0.955 4.814 1.00 1.14 C ATOM 724 H VAL A 47 140.537 -2.049 3.561 1.00 1.03 H ATOM 725 HA VAL A 47 138.021 -3.352 3.980 1.00 0.84 H ATOM 726 HB VAL A 47 138.726 -0.724 3.080 1.00 1.25 H ATOM 727 HG11 VAL A 47 136.089 -1.806 2.705 1.00 1.34 H ATOM 728 HG12 VAL A 47 136.493 -0.238 2.493 1.00 1.61 H ATOM 729 HG13 VAL A 47 137.116 -1.382 1.508 1.00 1.65 H ATOM 730 HG21 VAL A 47 138.394 -1.014 5.416 1.00 1.38 H ATOM 731 HG22 VAL A 47 137.247 -0.019 4.816 1.00 1.59 H ATOM 732 HG23 VAL A 47 136.887 -1.578 5.140 1.00 1.63 H ATOM 733 N LYS A 48 139.337 -3.054 1.081 1.00 0.97 N ATOM 734 CA LYS A 48 139.290 -3.524 -0.298 1.00 1.09 C ATOM 735 C LYS A 48 139.683 -4.992 -0.392 1.00 1.08 C ATOM 736 O LYS A 48 139.229 -5.713 -1.280 1.00 1.13 O ATOM 737 CB LYS A 48 140.209 -2.679 -1.179 1.00 1.33 C ATOM 738 CG LYS A 48 140.152 -1.195 -0.861 1.00 1.44 C ATOM 739 CD LYS A 48 141.316 -0.770 0.019 1.00 1.55 C ATOM 740 CE LYS A 48 141.165 0.669 0.485 1.00 1.83 C ATOM 741 NZ LYS A 48 142.059 1.593 -0.266 1.00 2.22 N ATOM 742 H LYS A 48 140.119 -2.509 1.383 1.00 1.03 H ATOM 743 HA LYS A 48 138.354 -3.425 -0.635 1.00 1.10 H ATOM 744 HB2 LYS A 48 141.149 -2.995 -1.051 1.00 1.46 H ATOM 745 HB3 LYS A 48 139.941 -2.810 -2.133 1.00 1.47 H ATOM 746 HG2 LYS A 48 140.185 -0.677 -1.716 1.00 1.98 H ATOM 747 HG3 LYS A 48 139.295 -0.997 -0.385 1.00 1.66 H ATOM 748 HD2 LYS A 48 141.354 -1.368 0.820 1.00 1.96 H ATOM 749 HD3 LYS A 48 142.166 -0.855 -0.501 1.00 2.04 H ATOM 750 HE2 LYS A 48 140.216 0.955 0.349 1.00 2.18 H ATOM 751 HE3 LYS A 48 141.392 0.719 1.458 1.00 2.07 H ATOM 752 HZ1 LYS A 48 143.047 1.441 -0.268 1.00 2.51 H ATOM 753 HZ2 LYS A 48 141.947 1.704 -1.254 1.00 2.63 H ATOM 754 HZ3 LYS A 48 142.083 2.565 -0.033 1.00 2.41 H ATOM 755 N GLU A 49 140.528 -5.428 0.531 1.00 1.09 N ATOM 756 CA GLU A 49 140.981 -6.813 0.555 1.00 1.20 C ATOM 757 C GLU A 49 139.794 -7.760 0.659 1.00 1.09 C ATOM 758 O GLU A 49 139.881 -8.929 0.284 1.00 1.18 O ATOM 759 CB GLU A 49 141.939 -7.047 1.723 1.00 1.35 C ATOM 760 CG GLU A 49 142.474 -5.765 2.338 1.00 1.74 C ATOM 761 CD GLU A 49 143.678 -6.005 3.228 1.00 2.20 C ATOM 762 OE1 GLU A 49 143.822 -7.136 3.738 1.00 2.82 O ATOM 763 OE2 GLU A 49 144.476 -5.062 3.415 1.00 2.42 O ATOM 764 H GLU A 49 140.862 -4.792 1.227 1.00 1.08 H ATOM 765 HA GLU A 49 141.490 -7.010 -0.283 1.00 1.33 H ATOM 766 HB2 GLU A 49 141.454 -7.559 2.432 1.00 1.52 H ATOM 767 HB3 GLU A 49 142.714 -7.587 1.393 1.00 1.59 H ATOM 768 HG2 GLU A 49 142.740 -5.142 1.602 1.00 1.96 H ATOM 769 HG3 GLU A 49 141.751 -5.345 2.886 1.00 1.89 H ATOM 770 N ALA A 50 138.685 -7.242 1.171 1.00 0.96 N ATOM 771 CA ALA A 50 137.472 -8.034 1.325 1.00 0.97 C ATOM 772 C ALA A 50 136.435 -7.644 0.283 1.00 0.87 C ATOM 773 O ALA A 50 135.665 -8.479 -0.193 1.00 0.95 O ATOM 774 CB ALA A 50 136.906 -7.871 2.727 1.00 1.06 C ATOM 775 H ALA A 50 138.682 -6.284 1.458 1.00 0.92 H ATOM 776 HA ALA A 50 137.705 -8.998 1.194 1.00 1.06 H ATOM 777 HB1 ALA A 50 136.692 -6.907 2.887 1.00 1.59 H ATOM 778 HB2 ALA A 50 136.074 -8.418 2.823 1.00 1.46 H ATOM 779 HB3 ALA A 50 137.585 -8.177 3.395 1.00 1.37 H ATOM 780 N SER A 51 136.426 -6.368 -0.067 1.00 0.79 N ATOM 781 CA SER A 51 135.492 -5.850 -1.054 1.00 0.81 C ATOM 782 C SER A 51 135.926 -6.235 -2.461 1.00 0.83 C ATOM 783 O SER A 51 135.096 -6.483 -3.336 1.00 0.90 O ATOM 784 CB SER A 51 135.377 -4.329 -0.936 1.00 0.88 C ATOM 785 OG SER A 51 135.019 -3.746 -2.177 1.00 1.60 O ATOM 786 H SER A 51 137.080 -5.742 0.359 1.00 0.81 H ATOM 787 HA SER A 51 134.602 -6.273 -0.883 1.00 0.85 H ATOM 788 HB2 SER A 51 134.678 -4.107 -0.256 1.00 1.39 H ATOM 789 HB3 SER A 51 136.258 -3.957 -0.642 1.00 1.30 H ATOM 790 HG SER A 51 134.841 -2.764 -2.235 1.00 1.95 H ATOM 791 N ALA A 52 137.234 -6.286 -2.665 1.00 0.87 N ATOM 792 CA ALA A 52 137.791 -6.644 -3.963 1.00 0.95 C ATOM 793 C ALA A 52 137.283 -8.003 -4.408 1.00 0.90 C ATOM 794 O ALA A 52 136.999 -8.222 -5.586 1.00 0.97 O ATOM 795 CB ALA A 52 139.312 -6.630 -3.913 1.00 1.07 C ATOM 796 H ALA A 52 137.854 -6.074 -1.910 1.00 0.89 H ATOM 797 HA ALA A 52 137.498 -5.962 -4.632 1.00 1.03 H ATOM 798 HB1 ALA A 52 139.625 -5.714 -3.663 1.00 1.38 H ATOM 799 HB2 ALA A 52 139.626 -7.288 -3.229 1.00 1.59 H ATOM 800 HB3 ALA A 52 139.684 -6.877 -4.808 1.00 1.47 H ATOM 801 N LYS A 53 137.160 -8.904 -3.451 1.00 0.85 N ATOM 802 CA LYS A 53 136.671 -10.244 -3.721 1.00 0.91 C ATOM 803 C LYS A 53 135.159 -10.225 -3.868 1.00 0.94 C ATOM 804 O LYS A 53 134.584 -10.977 -4.656 1.00 1.03 O ATOM 805 CB LYS A 53 137.076 -11.193 -2.595 1.00 1.00 C ATOM 806 CG LYS A 53 138.560 -11.521 -2.579 1.00 1.28 C ATOM 807 CD LYS A 53 139.384 -10.347 -2.074 1.00 1.48 C ATOM 808 CE LYS A 53 140.235 -9.747 -3.182 1.00 1.77 C ATOM 809 NZ LYS A 53 141.344 -10.655 -3.583 1.00 2.46 N ATOM 810 H LYS A 53 137.410 -8.657 -2.515 1.00 0.84 H ATOM 811 HA LYS A 53 137.073 -10.566 -4.578 1.00 0.95 H ATOM 812 HB2 LYS A 53 136.837 -10.768 -1.722 1.00 1.16 H ATOM 813 HB3 LYS A 53 136.565 -12.046 -2.701 1.00 1.20 H ATOM 814 HG2 LYS A 53 138.713 -12.307 -1.980 1.00 1.59 H ATOM 815 HG3 LYS A 53 138.853 -11.748 -3.508 1.00 1.46 H ATOM 816 HD2 LYS A 53 138.767 -9.644 -1.722 1.00 1.96 H ATOM 817 HD3 LYS A 53 139.984 -10.663 -1.339 1.00 1.91 H ATOM 818 HE2 LYS A 53 139.654 -9.574 -3.978 1.00 2.04 H ATOM 819 HE3 LYS A 53 140.624 -8.884 -2.859 1.00 1.94 H ATOM 820 HZ1 LYS A 53 141.987 -10.993 -2.896 1.00 2.85 H ATOM 821 HZ2 LYS A 53 141.139 -11.537 -4.007 1.00 2.76 H ATOM 822 HZ3 LYS A 53 142.023 -10.350 -4.250 1.00 2.86 H ATOM 823 N LEU A 54 134.529 -9.348 -3.102 1.00 0.95 N ATOM 824 CA LEU A 54 133.085 -9.199 -3.129 1.00 1.09 C ATOM 825 C LEU A 54 132.654 -8.395 -4.346 1.00 1.14 C ATOM 826 O LEU A 54 131.556 -8.580 -4.872 1.00 1.31 O ATOM 827 CB LEU A 54 132.602 -8.511 -1.852 1.00 1.14 C ATOM 828 CG LEU A 54 132.313 -7.015 -1.994 1.00 1.12 C ATOM 829 CD1 LEU A 54 131.143 -6.784 -2.937 1.00 1.48 C ATOM 830 CD2 LEU A 54 132.034 -6.395 -0.633 1.00 1.08 C ATOM 831 H LEU A 54 135.064 -8.770 -2.486 1.00 0.90 H ATOM 832 HA LEU A 54 132.676 -10.109 -3.194 1.00 1.21 H ATOM 833 HB2 LEU A 54 131.760 -8.962 -1.555 1.00 1.41 H ATOM 834 HB3 LEU A 54 133.307 -8.625 -1.152 1.00 1.08 H ATOM 835 HG LEU A 54 133.124 -6.558 -2.358 1.00 1.03 H ATOM 836 HD11 LEU A 54 130.328 -7.238 -2.576 1.00 1.93 H ATOM 837 HD12 LEU A 54 130.970 -5.802 -3.017 1.00 1.97 H ATOM 838 HD13 LEU A 54 131.362 -7.158 -3.838 1.00 1.72 H ATOM 839 HD21 LEU A 54 132.833 -6.525 -0.046 1.00 1.47 H ATOM 840 HD22 LEU A 54 131.845 -5.418 -0.728 1.00 1.38 H ATOM 841 HD23 LEU A 54 131.242 -6.849 -0.224 1.00 1.51 H ATOM 842 N ILE A 55 133.528 -7.500 -4.783 1.00 1.05 N ATOM 843 CA ILE A 55 133.248 -6.657 -5.938 1.00 1.19 C ATOM 844 C ILE A 55 133.425 -7.426 -7.241 1.00 1.18 C ATOM 845 O ILE A 55 132.880 -7.049 -8.277 1.00 1.27 O ATOM 846 CB ILE A 55 134.162 -5.421 -5.961 1.00 1.33 C ATOM 847 CG1 ILE A 55 135.586 -5.810 -5.563 1.00 1.15 C ATOM 848 CG2 ILE A 55 133.619 -4.347 -5.032 1.00 1.83 C ATOM 849 CD1 ILE A 55 136.615 -5.512 -6.632 1.00 1.55 C ATOM 850 H ILE A 55 134.402 -7.401 -4.308 1.00 0.94 H ATOM 851 HA ILE A 55 132.278 -6.426 -5.878 1.00 1.32 H ATOM 852 HB ILE A 55 134.183 -5.066 -6.894 1.00 1.66 H ATOM 853 HG12 ILE A 55 135.832 -5.315 -4.732 1.00 1.22 H ATOM 854 HG13 ILE A 55 135.603 -6.790 -5.369 1.00 1.16 H ATOM 855 HG21 ILE A 55 132.696 -4.096 -5.321 1.00 2.31 H ATOM 856 HG22 ILE A 55 133.596 -4.690 -4.093 1.00 2.32 H ATOM 857 HG23 ILE A 55 134.211 -3.543 -5.083 1.00 1.99 H ATOM 858 HD11 ILE A 55 136.367 -5.989 -7.474 1.00 1.85 H ATOM 859 HD12 ILE A 55 136.640 -4.528 -6.803 1.00 1.98 H ATOM 860 HD13 ILE A 55 137.516 -5.821 -6.327 1.00 2.06 H ATOM 861 N LYS A 56 134.191 -8.506 -7.181 1.00 1.14 N ATOM 862 CA LYS A 56 134.443 -9.329 -8.353 1.00 1.24 C ATOM 863 C LYS A 56 133.194 -10.112 -8.744 1.00 1.23 C ATOM 864 O LYS A 56 133.134 -10.711 -9.818 1.00 1.34 O ATOM 865 CB LYS A 56 135.598 -10.293 -8.085 1.00 1.35 C ATOM 866 CG LYS A 56 136.798 -10.073 -8.992 1.00 1.74 C ATOM 867 CD LYS A 56 137.499 -8.761 -8.679 1.00 2.53 C ATOM 868 CE LYS A 56 138.948 -8.782 -9.137 1.00 3.61 C ATOM 869 NZ LYS A 56 139.747 -9.807 -8.410 1.00 4.31 N ATOM 870 H LYS A 56 134.606 -8.761 -6.308 1.00 1.11 H ATOM 871 HA LYS A 56 134.694 -8.731 -9.114 1.00 1.33 H ATOM 872 HB2 LYS A 56 135.893 -10.177 -7.137 1.00 1.70 H ATOM 873 HB3 LYS A 56 135.267 -11.227 -8.219 1.00 1.80 H ATOM 874 HG2 LYS A 56 137.444 -10.825 -8.864 1.00 2.15 H ATOM 875 HG3 LYS A 56 136.489 -10.057 -9.943 1.00 2.07 H ATOM 876 HD2 LYS A 56 137.021 -8.017 -9.146 1.00 2.68 H ATOM 877 HD3 LYS A 56 137.473 -8.605 -7.692 1.00 2.81 H ATOM 878 HE2 LYS A 56 138.974 -8.986 -10.116 1.00 4.02 H ATOM 879 HE3 LYS A 56 139.351 -7.882 -8.973 1.00 3.93 H ATOM 880 HZ1 LYS A 56 139.825 -9.766 -7.414 1.00 4.45 H ATOM 881 HZ2 LYS A 56 139.499 -10.774 -8.476 1.00 4.65 H ATOM 882 HZ3 LYS A 56 140.721 -9.914 -8.608 1.00 4.75 H ATOM 883 N MET A 57 132.201 -10.105 -7.862 1.00 1.16 N ATOM 884 CA MET A 57 130.958 -10.815 -8.105 1.00 1.26 C ATOM 885 C MET A 57 129.894 -9.883 -8.676 1.00 1.31 C ATOM 886 O MET A 57 128.791 -10.316 -9.011 1.00 1.49 O ATOM 887 CB MET A 57 130.451 -11.457 -6.813 1.00 1.33 C ATOM 888 CG MET A 57 131.503 -11.533 -5.719 1.00 1.27 C ATOM 889 SD MET A 57 130.826 -12.085 -4.141 1.00 1.92 S ATOM 890 CE MET A 57 130.181 -10.546 -3.492 1.00 2.56 C ATOM 891 H MET A 57 132.312 -9.597 -7.008 1.00 1.11 H ATOM 892 HA MET A 57 131.139 -11.524 -8.787 1.00 1.39 H ATOM 893 HB2 MET A 57 129.680 -10.919 -6.473 1.00 1.66 H ATOM 894 HB3 MET A 57 130.143 -12.386 -7.020 1.00 1.83 H ATOM 895 HG2 MET A 57 132.214 -12.173 -6.010 1.00 1.73 H ATOM 896 HG3 MET A 57 131.901 -10.623 -5.602 1.00 1.80 H ATOM 897 HE1 MET A 57 129.494 -10.186 -4.123 1.00 2.92 H ATOM 898 HE2 MET A 57 129.763 -10.699 -2.596 1.00 3.07 H ATOM 899 HE3 MET A 57 130.929 -9.888 -3.403 1.00 2.77 H ATOM 900 N ALA A 58 130.229 -8.601 -8.783 1.00 1.27 N ATOM 901 CA ALA A 58 129.294 -7.613 -9.312 1.00 1.44 C ATOM 902 C ALA A 58 129.982 -6.282 -9.604 1.00 1.27 C ATOM 903 O ALA A 58 129.560 -5.540 -10.491 1.00 1.45 O ATOM 904 CB ALA A 58 128.143 -7.405 -8.341 1.00 1.83 C ATOM 905 H ALA A 58 131.141 -8.307 -8.495 1.00 1.19 H ATOM 906 HA ALA A 58 128.919 -7.965 -10.170 1.00 1.62 H ATOM 907 HB1 ALA A 58 128.502 -7.082 -7.466 1.00 2.13 H ATOM 908 HB2 ALA A 58 127.508 -6.727 -8.711 1.00 2.24 H ATOM 909 HB3 ALA A 58 127.663 -8.272 -8.205 1.00 2.19 H ATOM 910 N ASP A 59 131.034 -5.977 -8.850 1.00 1.27 N ATOM 911 CA ASP A 59 131.764 -4.733 -9.030 1.00 1.45 C ATOM 912 C ASP A 59 132.965 -4.923 -9.952 1.00 1.55 C ATOM 913 O ASP A 59 134.050 -5.296 -9.505 1.00 2.05 O ATOM 914 CB ASP A 59 132.225 -4.187 -7.678 1.00 2.11 C ATOM 915 CG ASP A 59 131.303 -3.108 -7.146 1.00 2.87 C ATOM 916 OD1 ASP A 59 130.081 -3.197 -7.392 1.00 3.46 O ATOM 917 OD2 ASP A 59 131.801 -2.173 -6.484 1.00 3.41 O ATOM 918 H ASP A 59 131.330 -6.619 -8.142 1.00 1.39 H ATOM 919 HA ASP A 59 131.144 -4.099 -9.492 1.00 1.42 H ATOM 920 HB2 ASP A 59 132.252 -4.940 -7.021 1.00 2.36 H ATOM 921 HB3 ASP A 59 133.143 -3.804 -7.784 1.00 2.41 H ATOM 922 N LYS A 60 132.767 -4.658 -11.239 1.00 1.46 N ATOM 923 CA LYS A 60 133.837 -4.792 -12.222 1.00 1.97 C ATOM 924 C LYS A 60 134.069 -3.471 -12.948 1.00 1.89 C ATOM 925 O LYS A 60 135.178 -3.186 -13.401 1.00 2.23 O ATOM 926 CB LYS A 60 133.508 -5.890 -13.237 1.00 2.39 C ATOM 927 CG LYS A 60 132.476 -6.890 -12.745 1.00 2.43 C ATOM 928 CD LYS A 60 131.178 -6.202 -12.359 1.00 2.14 C ATOM 929 CE LYS A 60 129.977 -7.099 -12.600 1.00 2.03 C ATOM 930 NZ LYS A 60 130.191 -8.020 -13.751 1.00 2.90 N ATOM 931 H LYS A 60 131.862 -4.359 -11.541 1.00 1.31 H ATOM 932 HA LYS A 60 134.679 -5.045 -11.745 1.00 2.43 H ATOM 933 HB2 LYS A 60 133.157 -5.457 -14.067 1.00 2.76 H ATOM 934 HB3 LYS A 60 134.351 -6.385 -13.450 1.00 2.90 H ATOM 935 HG2 LYS A 60 132.290 -7.551 -13.472 1.00 3.00 H ATOM 936 HG3 LYS A 60 132.841 -7.368 -11.946 1.00 2.70 H ATOM 937 HD2 LYS A 60 131.214 -5.962 -11.389 1.00 2.31 H ATOM 938 HD3 LYS A 60 131.076 -5.370 -12.905 1.00 2.55 H ATOM 939 HE2 LYS A 60 129.810 -7.643 -11.778 1.00 1.91 H ATOM 940 HE3 LYS A 60 129.179 -6.527 -12.788 1.00 2.14 H ATOM 941 HZ1 LYS A 60 130.426 -7.650 -14.650 1.00 3.23 H ATOM 942 HZ2 LYS A 60 130.910 -8.714 -13.709 1.00 3.09 H ATOM 943 HZ3 LYS A 60 129.453 -8.623 -14.053 1.00 3.46 H ATOM 944 N ASN A 61 133.015 -2.668 -13.053 1.00 1.60 N ATOM 945 CA ASN A 61 133.103 -1.376 -13.722 1.00 1.72 C ATOM 946 C ASN A 61 132.097 -0.391 -13.137 1.00 1.70 C ATOM 947 O ASN A 61 131.825 0.657 -13.724 1.00 2.14 O ATOM 948 CB ASN A 61 132.863 -1.538 -15.224 1.00 2.07 C ATOM 949 CG ASN A 61 131.388 -1.610 -15.569 1.00 2.32 C ATOM 950 OD1 ASN A 61 130.990 -1.337 -16.702 1.00 3.07 O ATOM 951 ND2 ASN A 61 130.569 -1.978 -14.591 1.00 2.18 N ATOM 952 H ASN A 61 132.141 -2.957 -12.664 1.00 1.47 H ATOM 953 HA ASN A 61 134.013 -1.010 -13.527 1.00 2.07 H ATOM 954 HB2 ASN A 61 133.267 -0.756 -15.700 1.00 2.14 H ATOM 955 HB3 ASN A 61 133.307 -2.380 -15.531 1.00 2.44 H ATOM 956 HD21 ASN A 61 130.936 -2.191 -13.685 1.00 2.49 H ATOM 957 HD22 ASN A 61 129.586 -2.042 -14.760 1.00 2.16 H ATOM 958 N SER A 62 131.547 -0.733 -11.977 1.00 1.68 N ATOM 959 CA SER A 62 130.571 0.122 -11.313 1.00 2.28 C ATOM 960 C SER A 62 129.151 -0.354 -11.593 1.00 2.49 C ATOM 961 O SER A 62 128.403 0.289 -12.331 1.00 3.39 O ATOM 962 CB SER A 62 130.736 1.572 -11.773 1.00 3.02 C ATOM 963 OG SER A 62 130.135 2.470 -10.857 1.00 3.64 O ATOM 964 H SER A 62 131.809 -1.598 -11.549 1.00 1.55 H ATOM 965 HA SER A 62 130.726 0.052 -10.328 1.00 2.46 H ATOM 966 HB2 SER A 62 131.711 1.782 -11.845 1.00 3.29 H ATOM 967 HB3 SER A 62 130.305 1.681 -12.669 1.00 3.30 H ATOM 968 HG SER A 62 130.185 3.456 -11.017 1.00 4.12 H ATOM 969 N ASP A 63 128.784 -1.485 -11.000 1.00 1.96 N ATOM 970 CA ASP A 63 127.458 -2.047 -11.183 1.00 2.47 C ATOM 971 C ASP A 63 126.888 -2.552 -9.861 1.00 2.00 C ATOM 972 O ASP A 63 125.687 -2.449 -9.613 1.00 2.47 O ATOM 973 CB ASP A 63 127.497 -3.184 -12.205 1.00 3.12 C ATOM 974 CG ASP A 63 127.550 -2.677 -13.633 1.00 4.00 C ATOM 975 OD1 ASP A 63 126.916 -1.639 -13.918 1.00 4.66 O ATOM 976 OD2 ASP A 63 128.225 -3.318 -14.466 1.00 4.44 O ATOM 977 H ASP A 63 129.438 -1.961 -10.412 1.00 1.51 H ATOM 978 HA ASP A 63 126.866 -1.300 -11.486 1.00 3.14 H ATOM 979 HB2 ASP A 63 128.308 -3.743 -12.031 1.00 3.34 H ATOM 980 HB3 ASP A 63 126.676 -3.744 -12.092 1.00 3.33 H ATOM 981 N GLY A 64 127.757 -3.098 -9.017 1.00 1.43 N ATOM 982 CA GLY A 64 127.319 -3.611 -7.732 1.00 1.48 C ATOM 983 C GLY A 64 126.439 -2.629 -6.984 1.00 1.16 C ATOM 984 O GLY A 64 125.232 -2.838 -6.858 1.00 1.23 O ATOM 985 H GLY A 64 128.723 -3.156 -9.270 1.00 1.44 H ATOM 986 HA2 GLY A 64 126.803 -4.454 -7.882 1.00 1.85 H ATOM 987 HA3 GLY A 64 128.125 -3.809 -7.174 1.00 1.75 H ATOM 988 N LYS A 65 127.044 -1.556 -6.487 1.00 0.97 N ATOM 989 CA LYS A 65 126.310 -0.536 -5.747 1.00 0.76 C ATOM 990 C LYS A 65 126.750 0.863 -6.171 1.00 0.79 C ATOM 991 O LYS A 65 127.938 1.185 -6.138 1.00 0.87 O ATOM 992 CB LYS A 65 126.519 -0.720 -4.241 1.00 0.71 C ATOM 993 CG LYS A 65 125.223 -0.803 -3.452 1.00 0.84 C ATOM 994 CD LYS A 65 124.626 -2.199 -3.508 1.00 0.67 C ATOM 995 CE LYS A 65 123.575 -2.310 -4.601 1.00 0.83 C ATOM 996 NZ LYS A 65 123.034 -3.692 -4.712 1.00 0.91 N ATOM 997 H LYS A 65 128.028 -1.445 -6.624 1.00 1.07 H ATOM 998 HA LYS A 65 125.335 -0.637 -5.947 1.00 0.81 H ATOM 999 HB2 LYS A 65 127.033 -1.565 -4.095 1.00 1.06 H ATOM 1000 HB3 LYS A 65 127.049 0.056 -3.899 1.00 1.02 H ATOM 1001 HG2 LYS A 65 125.407 -0.567 -2.498 1.00 1.35 H ATOM 1002 HG3 LYS A 65 124.567 -0.153 -3.835 1.00 1.37 H ATOM 1003 HD2 LYS A 65 125.355 -2.858 -3.691 1.00 0.79 H ATOM 1004 HD3 LYS A 65 124.201 -2.407 -2.627 1.00 0.86 H ATOM 1005 HE2 LYS A 65 122.824 -1.684 -4.392 1.00 1.27 H ATOM 1006 HE3 LYS A 65 123.989 -2.053 -5.474 1.00 1.10 H ATOM 1007 HZ1 LYS A 65 123.654 -4.460 -4.871 1.00 1.22 H ATOM 1008 HZ2 LYS A 65 122.530 -4.095 -3.948 1.00 1.33 H ATOM 1009 HZ3 LYS A 65 122.373 -3.914 -5.429 1.00 1.36 H ATOM 1010 N ILE A 66 125.787 1.688 -6.574 1.00 0.80 N ATOM 1011 CA ILE A 66 126.080 3.050 -7.009 1.00 0.89 C ATOM 1012 C ILE A 66 125.056 4.040 -6.462 1.00 0.88 C ATOM 1013 O ILE A 66 124.036 4.306 -7.097 1.00 1.04 O ATOM 1014 CB ILE A 66 126.106 3.153 -8.545 1.00 1.07 C ATOM 1015 CG1 ILE A 66 124.964 2.338 -9.153 1.00 1.21 C ATOM 1016 CG2 ILE A 66 127.448 2.681 -9.085 1.00 1.57 C ATOM 1017 CD1 ILE A 66 125.341 0.905 -9.459 1.00 1.61 C ATOM 1018 H ILE A 66 124.840 1.367 -6.579 1.00 0.78 H ATOM 1019 HA ILE A 66 126.953 3.289 -6.588 1.00 0.89 H ATOM 1020 HB ILE A 66 125.974 4.110 -8.795 1.00 1.44 H ATOM 1021 HG12 ILE A 66 124.195 2.340 -8.516 1.00 1.66 H ATOM 1022 HG13 ILE A 66 124.678 2.780 -10.002 1.00 1.42 H ATOM 1023 HG21 ILE A 66 128.177 3.240 -8.692 1.00 2.08 H ATOM 1024 HG22 ILE A 66 127.593 1.721 -8.843 1.00 1.93 H ATOM 1025 HG23 ILE A 66 127.453 2.783 -10.080 1.00 2.07 H ATOM 1026 HD11 ILE A 66 126.122 0.893 -10.082 1.00 2.10 H ATOM 1027 HD12 ILE A 66 125.587 0.438 -8.610 1.00 2.03 H ATOM 1028 HD13 ILE A 66 124.566 0.438 -9.886 1.00 1.97 H ATOM 1029 N SER A 67 125.339 4.584 -5.282 1.00 0.85 N ATOM 1030 CA SER A 67 124.447 5.549 -4.644 1.00 0.87 C ATOM 1031 C SER A 67 124.791 5.702 -3.168 1.00 0.78 C ATOM 1032 O SER A 67 125.963 5.647 -2.781 1.00 0.75 O ATOM 1033 CB SER A 67 122.989 5.110 -4.797 1.00 0.92 C ATOM 1034 OG SER A 67 122.160 6.205 -5.147 1.00 1.70 O ATOM 1035 H SER A 67 126.186 4.325 -4.818 1.00 0.92 H ATOM 1036 HA SER A 67 124.591 6.435 -5.084 1.00 0.96 H ATOM 1037 HB2 SER A 67 122.931 4.414 -5.513 1.00 1.20 H ATOM 1038 HB3 SER A 67 122.672 4.724 -3.931 1.00 1.27 H ATOM 1039 HG SER A 67 121.744 6.247 -6.055 1.00 2.12 H ATOM 1040 N LYS A 68 123.770 5.884 -2.336 1.00 0.78 N ATOM 1041 CA LYS A 68 123.998 6.025 -0.909 1.00 0.77 C ATOM 1042 C LYS A 68 125.103 5.079 -0.492 1.00 0.67 C ATOM 1043 O LYS A 68 125.937 5.397 0.356 1.00 0.65 O ATOM 1044 CB LYS A 68 122.724 5.725 -0.121 1.00 0.84 C ATOM 1045 CG LYS A 68 122.932 4.726 1.006 1.00 1.25 C ATOM 1046 CD LYS A 68 123.928 5.245 2.030 1.00 0.86 C ATOM 1047 CE LYS A 68 123.243 6.052 3.118 1.00 1.19 C ATOM 1048 NZ LYS A 68 122.564 5.177 4.115 1.00 1.12 N ATOM 1049 H LYS A 68 122.838 5.924 -2.696 1.00 0.82 H ATOM 1050 HA LYS A 68 124.284 6.964 -0.716 1.00 0.83 H ATOM 1051 HB2 LYS A 68 122.386 6.580 0.272 1.00 1.00 H ATOM 1052 HB3 LYS A 68 122.042 5.355 -0.751 1.00 0.93 H ATOM 1053 HG2 LYS A 68 122.056 4.559 1.459 1.00 1.95 H ATOM 1054 HG3 LYS A 68 123.277 3.869 0.622 1.00 1.80 H ATOM 1055 HD2 LYS A 68 124.397 4.468 2.450 1.00 1.21 H ATOM 1056 HD3 LYS A 68 124.596 5.827 1.567 1.00 1.30 H ATOM 1057 HE2 LYS A 68 123.928 6.607 3.589 1.00 1.90 H ATOM 1058 HE3 LYS A 68 122.562 6.651 2.696 1.00 1.80 H ATOM 1059 HZ1 LYS A 68 123.090 4.491 4.618 1.00 1.46 H ATOM 1060 HZ2 LYS A 68 122.101 5.583 4.903 1.00 1.57 H ATOM 1061 HZ3 LYS A 68 121.818 4.577 3.827 1.00 1.47 H ATOM 1062 N GLU A 69 125.112 3.918 -1.126 1.00 0.64 N ATOM 1063 CA GLU A 69 126.128 2.914 -0.854 1.00 0.59 C ATOM 1064 C GLU A 69 127.499 3.534 -1.014 1.00 0.59 C ATOM 1065 O GLU A 69 128.326 3.502 -0.107 1.00 0.57 O ATOM 1066 CB GLU A 69 125.973 1.716 -1.792 1.00 0.62 C ATOM 1067 CG GLU A 69 126.027 2.088 -3.264 1.00 0.73 C ATOM 1068 CD GLU A 69 127.446 2.249 -3.772 1.00 1.50 C ATOM 1069 OE1 GLU A 69 128.374 1.738 -3.110 1.00 2.19 O ATOM 1070 OE2 GLU A 69 127.629 2.887 -4.829 1.00 2.13 O ATOM 1071 H GLU A 69 124.405 3.727 -1.807 1.00 0.67 H ATOM 1072 HA GLU A 69 126.021 2.570 0.079 1.00 0.58 H ATOM 1073 HB2 GLU A 69 126.710 1.068 -1.602 1.00 0.65 H ATOM 1074 HB3 GLU A 69 125.091 1.281 -1.607 1.00 0.64 H ATOM 1075 HG2 GLU A 69 125.578 1.369 -3.794 1.00 1.01 H ATOM 1076 HG3 GLU A 69 125.541 2.952 -3.395 1.00 0.80 H ATOM 1077 N GLU A 70 127.712 4.136 -2.164 1.00 0.65 N ATOM 1078 CA GLU A 70 128.965 4.809 -2.437 1.00 0.69 C ATOM 1079 C GLU A 70 129.104 5.972 -1.475 1.00 0.69 C ATOM 1080 O GLU A 70 130.207 6.372 -1.102 1.00 0.70 O ATOM 1081 CB GLU A 70 129.004 5.303 -3.883 1.00 0.80 C ATOM 1082 CG GLU A 70 128.189 6.564 -4.115 1.00 0.99 C ATOM 1083 CD GLU A 70 128.683 7.368 -5.302 1.00 1.26 C ATOM 1084 OE1 GLU A 70 129.909 7.387 -5.538 1.00 1.67 O ATOM 1085 OE2 GLU A 70 127.843 7.979 -5.996 1.00 1.85 O ATOM 1086 H GLU A 70 126.996 4.129 -2.862 1.00 0.70 H ATOM 1087 HA GLU A 70 129.727 4.174 -2.314 1.00 0.67 H ATOM 1088 HB2 GLU A 70 129.955 5.491 -4.128 1.00 0.91 H ATOM 1089 HB3 GLU A 70 128.645 4.581 -4.474 1.00 0.86 H ATOM 1090 HG2 GLU A 70 127.237 6.306 -4.279 1.00 1.07 H ATOM 1091 HG3 GLU A 70 128.243 7.137 -3.297 1.00 1.05 H ATOM 1092 N PHE A 71 127.954 6.488 -1.056 1.00 0.71 N ATOM 1093 CA PHE A 71 127.903 7.588 -0.113 1.00 0.75 C ATOM 1094 C PHE A 71 128.428 7.133 1.232 1.00 0.71 C ATOM 1095 O PHE A 71 129.369 7.706 1.776 1.00 0.74 O ATOM 1096 CB PHE A 71 126.468 8.091 0.033 1.00 0.80 C ATOM 1097 CG PHE A 71 126.369 9.578 0.220 1.00 0.87 C ATOM 1098 CD1 PHE A 71 126.930 10.444 -0.704 1.00 1.40 C ATOM 1099 CD2 PHE A 71 125.715 10.108 1.320 1.00 1.45 C ATOM 1100 CE1 PHE A 71 126.840 11.813 -0.535 1.00 1.46 C ATOM 1101 CE2 PHE A 71 125.622 11.476 1.495 1.00 1.57 C ATOM 1102 CZ PHE A 71 126.186 12.329 0.567 1.00 1.13 C ATOM 1103 H PHE A 71 127.097 6.106 -1.402 1.00 0.71 H ATOM 1104 HA PHE A 71 128.534 8.287 -0.449 1.00 0.82 H ATOM 1105 HB2 PHE A 71 125.960 7.841 -0.791 1.00 0.85 H ATOM 1106 HB3 PHE A 71 126.056 7.644 0.827 1.00 0.80 H ATOM 1107 HD1 PHE A 71 127.406 10.076 -1.503 1.00 2.12 H ATOM 1108 HD2 PHE A 71 125.306 9.494 1.995 1.00 2.15 H ATOM 1109 HE1 PHE A 71 127.248 12.427 -1.210 1.00 2.16 H ATOM 1110 HE2 PHE A 71 125.146 11.846 2.293 1.00 2.32 H ATOM 1111 HZ PHE A 71 126.121 13.319 0.691 1.00 1.26 H ATOM 1112 N LEU A 72 127.812 6.081 1.744 1.00 0.65 N ATOM 1113 CA LEU A 72 128.204 5.507 3.023 1.00 0.64 C ATOM 1114 C LEU A 72 129.457 4.656 2.855 1.00 0.58 C ATOM 1115 O LEU A 72 130.300 4.588 3.749 1.00 0.60 O ATOM 1116 CB LEU A 72 127.068 4.660 3.599 1.00 0.64 C ATOM 1117 CG LEU A 72 127.121 3.179 3.229 1.00 0.57 C ATOM 1118 CD1 LEU A 72 127.419 2.331 4.455 1.00 0.60 C ATOM 1119 CD2 LEU A 72 125.815 2.743 2.582 1.00 0.61 C ATOM 1120 H LEU A 72 127.055 5.668 1.238 1.00 0.64 H ATOM 1121 HA LEU A 72 128.413 6.254 3.654 1.00 0.69 H ATOM 1122 HB2 LEU A 72 127.100 4.732 4.596 1.00 0.68 H ATOM 1123 HB3 LEU A 72 126.202 5.032 3.266 1.00 0.68 H ATOM 1124 HG LEU A 72 127.840 3.037 2.549 1.00 0.54 H ATOM 1125 HD11 LEU A 72 126.702 2.468 5.138 1.00 1.17 H ATOM 1126 HD12 LEU A 72 127.450 1.366 4.193 1.00 1.17 H ATOM 1127 HD13 LEU A 72 128.302 2.600 4.840 1.00 1.22 H ATOM 1128 HD21 LEU A 72 125.664 3.287 1.756 1.00 1.15 H ATOM 1129 HD22 LEU A 72 125.852 1.773 2.340 1.00 1.26 H ATOM 1130 HD23 LEU A 72 125.065 2.898 3.226 1.00 1.16 H ATOM 1131 N ASN A 73 129.575 4.018 1.696 1.00 0.56 N ATOM 1132 CA ASN A 73 130.728 3.183 1.401 1.00 0.56 C ATOM 1133 C ASN A 73 131.943 4.052 1.115 1.00 0.55 C ATOM 1134 O ASN A 73 133.080 3.666 1.389 1.00 0.57 O ATOM 1135 CB ASN A 73 130.435 2.264 0.213 1.00 0.63 C ATOM 1136 CG ASN A 73 129.389 1.216 0.542 1.00 0.74 C ATOM 1137 OD1 ASN A 73 129.649 0.016 0.463 1.00 1.23 O ATOM 1138 ND2 ASN A 73 128.195 1.667 0.913 1.00 0.56 N ATOM 1139 H ASN A 73 128.854 4.114 1.010 1.00 0.57 H ATOM 1140 HA ASN A 73 130.931 2.661 2.229 1.00 0.55 H ATOM 1141 HB2 ASN A 73 130.105 2.820 -0.550 1.00 0.74 H ATOM 1142 HB3 ASN A 73 131.281 1.802 -0.053 1.00 0.79 H ATOM 1143 HD21 ASN A 73 128.026 2.651 0.964 1.00 0.67 H ATOM 1144 HD22 ASN A 73 127.466 1.022 1.141 1.00 0.65 H ATOM 1145 N ALA A 74 131.686 5.238 0.580 1.00 0.59 N ATOM 1146 CA ALA A 74 132.745 6.187 0.273 1.00 0.65 C ATOM 1147 C ALA A 74 132.799 7.273 1.339 1.00 0.68 C ATOM 1148 O ALA A 74 133.802 7.970 1.485 1.00 0.76 O ATOM 1149 CB ALA A 74 132.534 6.799 -1.104 1.00 0.77 C ATOM 1150 H ALA A 74 130.738 5.487 0.382 1.00 0.60 H ATOM 1151 HA ALA A 74 133.619 5.701 0.269 1.00 0.64 H ATOM 1152 HB1 ALA A 74 131.654 7.273 -1.122 1.00 1.43 H ATOM 1153 HB2 ALA A 74 133.267 7.449 -1.304 1.00 1.27 H ATOM 1154 HB3 ALA A 74 132.536 6.072 -1.791 1.00 1.14 H ATOM 1155 N ASN A 75 131.706 7.401 2.088 1.00 0.70 N ATOM 1156 CA ASN A 75 131.619 8.391 3.153 1.00 0.84 C ATOM 1157 C ASN A 75 132.843 8.318 4.051 1.00 0.82 C ATOM 1158 O ASN A 75 133.622 9.266 4.145 1.00 0.91 O ATOM 1159 CB ASN A 75 130.346 8.172 3.976 1.00 0.95 C ATOM 1160 CG ASN A 75 130.625 7.511 5.312 1.00 0.90 C ATOM 1161 OD1 ASN A 75 131.032 8.168 6.270 1.00 0.92 O ATOM 1162 ND2 ASN A 75 130.407 6.203 5.380 1.00 0.89 N ATOM 1163 H ASN A 75 130.924 6.802 1.915 1.00 0.67 H ATOM 1164 HA ASN A 75 131.633 9.290 2.716 1.00 0.96 H ATOM 1165 HB2 ASN A 75 129.914 9.059 4.140 1.00 1.05 H ATOM 1166 HB3 ASN A 75 129.723 7.590 3.453 1.00 1.04 H ATOM 1167 HD21 ASN A 75 130.076 5.709 4.576 1.00 0.91 H ATOM 1168 HD22 ASN A 75 130.574 5.712 6.235 1.00 0.90 H ATOM 1169 N ALA A 76 133.004 7.178 4.697 1.00 0.72 N ATOM 1170 CA ALA A 76 134.134 6.947 5.585 1.00 0.71 C ATOM 1171 C ALA A 76 135.384 6.636 4.782 1.00 0.63 C ATOM 1172 O ALA A 76 136.488 7.058 5.128 1.00 0.69 O ATOM 1173 CB ALA A 76 133.827 5.818 6.557 1.00 0.71 C ATOM 1174 H ALA A 76 132.329 6.451 4.572 1.00 0.68 H ATOM 1175 HA ALA A 76 134.296 7.779 6.116 1.00 0.81 H ATOM 1176 HB1 ALA A 76 133.638 4.982 6.042 1.00 1.27 H ATOM 1177 HB2 ALA A 76 134.609 5.668 7.162 1.00 1.32 H ATOM 1178 HB3 ALA A 76 133.025 6.062 7.103 1.00 1.14 H ATOM 1179 N GLU A 77 135.193 5.898 3.701 1.00 0.58 N ATOM 1180 CA GLU A 77 136.292 5.523 2.825 1.00 0.62 C ATOM 1181 C GLU A 77 136.944 6.766 2.236 1.00 0.73 C ATOM 1182 O GLU A 77 138.167 6.908 2.253 1.00 0.81 O ATOM 1183 CB GLU A 77 135.795 4.610 1.703 1.00 0.65 C ATOM 1184 CG GLU A 77 136.786 3.523 1.319 1.00 1.09 C ATOM 1185 CD GLU A 77 137.177 3.583 -0.145 1.00 1.79 C ATOM 1186 OE1 GLU A 77 136.395 3.098 -0.989 1.00 2.57 O ATOM 1187 OE2 GLU A 77 138.266 4.114 -0.447 1.00 2.38 O ATOM 1188 H GLU A 77 134.268 5.589 3.480 1.00 0.57 H ATOM 1189 HA GLU A 77 136.972 5.006 3.346 1.00 0.63 H ATOM 1190 HB2 GLU A 77 134.947 4.173 2.003 1.00 0.86 H ATOM 1191 HB3 GLU A 77 135.613 5.171 0.896 1.00 1.01 H ATOM 1192 HG2 GLU A 77 137.611 3.629 1.875 1.00 1.68 H ATOM 1193 HG3 GLU A 77 136.373 2.631 1.503 1.00 1.62 H ATOM 1194 N LEU A 78 136.116 7.670 1.724 1.00 0.80 N ATOM 1195 CA LEU A 78 136.607 8.909 1.138 1.00 0.98 C ATOM 1196 C LEU A 78 136.924 9.925 2.229 1.00 1.05 C ATOM 1197 O LEU A 78 137.713 10.848 2.025 1.00 1.21 O ATOM 1198 CB LEU A 78 135.575 9.487 0.168 1.00 1.07 C ATOM 1199 CG LEU A 78 134.520 10.391 0.807 1.00 1.10 C ATOM 1200 CD1 LEU A 78 135.121 11.742 1.162 1.00 1.30 C ATOM 1201 CD2 LEU A 78 133.330 10.563 -0.124 1.00 1.11 C ATOM 1202 H LEU A 78 135.132 7.495 1.742 1.00 0.75 H ATOM 1203 HA LEU A 78 137.451 8.709 0.640 1.00 1.03 H ATOM 1204 HB2 LEU A 78 136.063 10.021 -0.522 1.00 1.21 H ATOM 1205 HB3 LEU A 78 135.102 8.724 -0.273 1.00 1.00 H ATOM 1206 HG LEU A 78 134.175 9.955 1.638 1.00 1.01 H ATOM 1207 HD11 LEU A 78 135.873 11.614 1.809 1.00 1.67 H ATOM 1208 HD12 LEU A 78 135.466 12.182 0.333 1.00 1.76 H ATOM 1209 HD13 LEU A 78 134.418 12.319 1.578 1.00 1.51 H ATOM 1210 HD21 LEU A 78 133.644 10.972 -0.981 1.00 1.40 H ATOM 1211 HD22 LEU A 78 132.930 9.666 -0.310 1.00 1.55 H ATOM 1212 HD23 LEU A 78 132.641 11.154 0.296 1.00 1.52 H ATOM 1213 N LEU A 79 136.302 9.745 3.389 1.00 0.98 N ATOM 1214 CA LEU A 79 136.512 10.639 4.516 1.00 1.10 C ATOM 1215 C LEU A 79 137.633 10.129 5.414 1.00 1.05 C ATOM 1216 O LEU A 79 138.268 10.902 6.132 1.00 1.17 O ATOM 1217 CB LEU A 79 135.222 10.790 5.325 1.00 1.16 C ATOM 1218 CG LEU A 79 134.105 11.567 4.625 1.00 1.54 C ATOM 1219 CD1 LEU A 79 132.760 11.257 5.263 1.00 2.13 C ATOM 1220 CD2 LEU A 79 134.388 13.061 4.670 1.00 2.16 C ATOM 1221 H LEU A 79 135.673 8.974 3.490 1.00 0.88 H ATOM 1222 HA LEU A 79 136.780 11.534 4.160 1.00 1.24 H ATOM 1223 HB2 LEU A 79 134.878 9.875 5.535 1.00 1.61 H ATOM 1224 HB3 LEU A 79 135.443 11.266 6.176 1.00 1.63 H ATOM 1225 HG LEU A 79 134.080 11.306 3.660 1.00 1.78 H ATOM 1226 HD11 LEU A 79 132.780 11.517 6.228 1.00 2.44 H ATOM 1227 HD12 LEU A 79 132.044 11.773 4.793 1.00 2.58 H ATOM 1228 HD13 LEU A 79 132.571 10.278 5.186 1.00 2.58 H ATOM 1229 HD21 LEU A 79 135.258 13.242 4.211 1.00 2.45 H ATOM 1230 HD22 LEU A 79 133.657 13.568 4.212 1.00 2.47 H ATOM 1231 HD23 LEU A 79 134.448 13.353 5.625 1.00 2.74 H ATOM 1232 N CYS A 80 137.868 8.824 5.367 1.00 0.88 N ATOM 1233 CA CYS A 80 138.911 8.204 6.175 1.00 0.87 C ATOM 1234 C CYS A 80 140.250 8.905 5.969 1.00 0.96 C ATOM 1235 O CYS A 80 140.477 9.542 4.941 1.00 1.78 O ATOM 1236 CB CYS A 80 139.041 6.720 5.827 1.00 1.19 C ATOM 1237 SG CYS A 80 140.704 6.223 5.322 1.00 2.52 S ATOM 1238 H CYS A 80 137.315 8.251 4.762 1.00 0.81 H ATOM 1239 HA CYS A 80 138.656 8.306 7.137 1.00 1.32 H ATOM 1240 HB2 CYS A 80 138.784 6.185 6.632 1.00 1.59 H ATOM 1241 HB3 CYS A 80 138.411 6.517 5.077 1.00 1.43 H ATOM 1242 HG CYS A 80 141.314 7.015 5.345 1.00 2.87 H ATOM 1243 N GLN A 81 141.134 8.781 6.954 1.00 1.35 N ATOM 1244 CA GLN A 81 142.452 9.402 6.882 1.00 1.88 C ATOM 1245 C GLN A 81 142.437 10.788 7.519 1.00 1.73 C ATOM 1246 O GLN A 81 141.646 11.650 7.136 1.00 2.58 O ATOM 1247 CB GLN A 81 142.912 9.502 5.426 1.00 2.97 C ATOM 1248 CG GLN A 81 144.392 9.812 5.277 1.00 3.87 C ATOM 1249 CD GLN A 81 144.643 11.161 4.630 1.00 4.95 C ATOM 1250 OE1 GLN A 81 145.310 11.253 3.599 1.00 5.40 O ATOM 1251 NE2 GLN A 81 144.108 12.215 5.234 1.00 5.71 N ATOM 1252 H GLN A 81 140.889 8.249 7.765 1.00 1.85 H ATOM 1253 HA GLN A 81 143.083 8.834 7.410 1.00 2.29 H ATOM 1254 HB2 GLN A 81 142.725 8.630 4.974 1.00 3.37 H ATOM 1255 HB3 GLN A 81 142.391 10.228 4.978 1.00 3.28 H ATOM 1256 HG2 GLN A 81 144.813 9.809 6.184 1.00 4.12 H ATOM 1257 HG3 GLN A 81 144.813 9.103 4.712 1.00 3.99 H ATOM 1258 HE21 GLN A 81 143.573 12.094 6.070 1.00 6.50 H ATOM 1259 HE22 GLN A 81 144.240 13.130 4.853 1.00 5.63 H ATOM 1260 N LEU A 82 143.317 10.994 8.493 1.00 1.53 N ATOM 1261 CA LEU A 82 143.406 12.275 9.184 1.00 2.18 C ATOM 1262 C LEU A 82 143.833 12.082 10.636 1.00 2.50 C ATOM 1263 O LEU A 82 144.243 10.991 11.033 1.00 3.21 O ATOM 1264 CB LEU A 82 142.062 13.004 9.128 1.00 2.98 C ATOM 1265 CG LEU A 82 140.854 12.170 9.558 1.00 3.64 C ATOM 1266 CD1 LEU A 82 141.090 11.558 10.930 1.00 4.44 C ATOM 1267 CD2 LEU A 82 139.594 13.022 9.560 1.00 4.13 C ATOM 1268 H LEU A 82 143.933 10.253 8.759 1.00 1.67 H ATOM 1269 HA LEU A 82 144.100 12.830 8.726 1.00 2.70 H ATOM 1270 HB2 LEU A 82 142.116 13.802 9.728 1.00 3.54 H ATOM 1271 HB3 LEU A 82 141.911 13.305 8.186 1.00 3.26 H ATOM 1272 HG LEU A 82 140.707 11.439 8.892 1.00 3.83 H ATOM 1273 HD11 LEU A 82 141.896 10.968 10.898 1.00 4.76 H ATOM 1274 HD12 LEU A 82 141.236 12.286 11.600 1.00 4.87 H ATOM 1275 HD13 LEU A 82 140.291 11.017 11.194 1.00 4.71 H ATOM 1276 HD21 LEU A 82 139.441 13.379 8.639 1.00 4.41 H ATOM 1277 HD22 LEU A 82 138.805 12.476 9.841 1.00 4.27 H ATOM 1278 HD23 LEU A 82 139.716 13.783 10.197 1.00 4.58 H ATOM 1279 N LYS A 83 143.733 13.148 11.424 1.00 2.74 N ATOM 1280 CA LYS A 83 144.108 13.095 12.832 1.00 3.65 C ATOM 1281 C LYS A 83 142.882 13.240 13.728 1.00 4.48 C ATOM 1282 O LYS A 83 142.290 14.340 13.746 1.00 4.95 O ATOM 1283 CB LYS A 83 145.122 14.195 13.152 1.00 3.79 C ATOM 1284 CG LYS A 83 144.827 14.935 14.447 1.00 3.84 C ATOM 1285 CD LYS A 83 144.739 13.980 15.626 1.00 4.07 C ATOM 1286 CE LYS A 83 143.722 14.453 16.652 1.00 4.49 C ATOM 1287 NZ LYS A 83 142.337 14.039 16.293 1.00 4.72 N ATOM 1288 OXT LYS A 83 142.523 12.253 14.403 1.00 5.08 O ATOM 1289 H LYS A 83 143.392 14.007 11.042 1.00 2.75 H ATOM 1290 HA LYS A 83 144.531 12.208 13.015 1.00 4.13 H ATOM 1291 HB2 LYS A 83 146.028 13.778 13.225 1.00 4.15 H ATOM 1292 HB3 LYS A 83 145.119 14.856 12.402 1.00 4.09 H ATOM 1293 HG2 LYS A 83 145.558 15.596 14.618 1.00 4.00 H ATOM 1294 HG3 LYS A 83 143.956 15.418 14.355 1.00 4.19 H ATOM 1295 HD2 LYS A 83 144.468 13.077 15.294 1.00 4.29 H ATOM 1296 HD3 LYS A 83 145.636 13.919 16.063 1.00 4.33 H ATOM 1297 HE2 LYS A 83 143.956 14.063 17.542 1.00 5.01 H ATOM 1298 HE3 LYS A 83 143.758 15.451 16.706 1.00 4.63 H ATOM 1299 HZ1 LYS A 83 141.935 14.335 15.426 1.00 5.09 H ATOM 1300 HZ2 LYS A 83 142.111 13.068 16.210 1.00 4.67 H ATOM 1301 HZ3 LYS A 83 141.570 14.297 16.881 1.00 5.03 H TER 1302 LYS A 83 MASTER 112 0 0 4 0 0 0 6 1301 1 0 7 END