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*** 4OBE ***elNémo ID: 2308140417081408440Job options:ID = 2308140417081408440 JOBID = 4OBE USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 4OBE HEADER HYDROLASE 07-JAN-14 4OBE TITLE CRYSTAL STRUCTURE OF GDP-BOUND HUMAN KRAS COMPND MOL_ID: 1; COMPND 2 MOLECULE: GTPASE KRAS; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: UNP RESIDUES 1-169; COMPND 5 SYNONYM: 'K-RAS 2, KI-RAS, C-K-RAS, C-KI-RAS, GTPASE KRAS, N- COMPND 6 TERMINALLY PROCESSED, KRAS, V-KI-RAS2 KIRSTEN RAT SARCOMA VIRAL COMPND 7 ONCOGENE HOMOLOG; COMPND 8 EC: 3.6.5.2; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: KRAS, KRAS2, RASK2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PJEXPRESS401 KEYWDS SMALL GTPASE, SIGNAL TRANSDUCTION, GDP BINDING, GTP BINDING, KEYWDS 2 HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.C.HUNTER,D.GURBANI,Z.CHEN,K.D.WESTOVER REVDAT 2 09-JUL-14 4OBE 1 JRNL REVDAT 1 04-JUN-14 4OBE 0 JRNL AUTH J.C.HUNTER,D.GURBANI,S.B.FICARRO,M.A.CARRASCO,S.M.LIM, JRNL AUTH 2 H.G.CHOI,T.XIE,J.A.MARTO,Z.CHEN,N.S.GRAY,K.D.WESTOVER JRNL TITL IN SITU SELECTIVITY PROFILING AND CRYSTAL STRUCTURE OF JRNL TITL 2 SML-8-73-1, AN ACTIVE SITE INHIBITOR OF ONCOGENIC K-RAS JRNL TITL 3 G12C. JRNL REF PROC.NATL.ACAD.SCI.USA V. 111 8895 2014 JRNL REFN ISSN 0027-8424 JRNL PMID 24889603 JRNL DOI 10.1073/PNAS.1404639111 REMARK 2 REMARK 2 RESOLUTION. 1.24 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: DEV_1523) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.24 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.07 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.970 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.7 REMARK 3 NUMBER OF REFLECTIONS : 81172 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.157 REMARK 3 R VALUE (WORKING SET) : 0.157 REMARK 3 FREE R VALUE : 0.169 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.060 REMARK 3 FREE R VALUE TEST SET COUNT : 4105 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 22.0688 - 3.7971 0.96 2837 161 0.1625 0.1619 REMARK 3 2 3.7971 - 3.0163 0.99 2819 148 0.1480 0.1406 REMARK 3 3 3.0163 - 2.6357 0.98 2818 165 0.1502 0.1708 REMARK 3 4 2.6357 - 2.3951 0.98 2841 140 0.1438 0.1439 REMARK 3 5 2.3951 - 2.2236 0.98 2785 151 0.1361 0.1397 REMARK 3 6 2.2236 - 2.0926 0.97 2758 157 0.1382 0.1689 REMARK 3 7 2.0926 - 1.9879 0.98 2776 156 0.1391 0.1533 REMARK 3 8 1.9879 - 1.9014 0.97 2767 141 0.1476 0.1735 REMARK 3 9 1.9014 - 1.8282 0.97 2762 151 0.1524 0.1623 REMARK 3 10 1.8282 - 1.7651 0.97 2734 145 0.1463 0.1459 REMARK 3 11 1.7651 - 1.7100 0.95 2692 150 0.1516 0.1544 REMARK 3 12 1.7100 - 1.6611 0.95 2735 124 0.1578 0.1747 REMARK 3 13 1.6611 - 1.6174 0.94 2634 145 0.1506 0.1916 REMARK 3 14 1.6174 - 1.5780 0.93 2616 149 0.1539 0.1837 REMARK 3 15 1.5780 - 1.5421 0.93 2634 162 0.1586 0.1867 REMARK 3 16 1.5421 - 1.5093 0.93 2573 115 0.1637 0.1888 REMARK 3 17 1.5093 - 1.4791 0.92 2637 166 0.1642 0.1981 REMARK 3 18 1.4791 - 1.4512 0.94 2580 125 0.1719 0.2095 REMARK 3 19 1.4512 - 1.4253 0.93 2719 146 0.1745 0.2137 REMARK 3 20 1.4253 - 1.4011 0.93 2550 154 0.1757 0.1778 REMARK 3 21 1.4011 - 1.3785 0.93 2692 148 0.1825 0.2148 REMARK 3 22 1.3785 - 1.3573 0.93 2645 101 0.1826 0.2232 REMARK 3 23 1.3573 - 1.3374 0.94 2664 150 0.1927 0.2061 REMARK 3 24 1.3374 - 1.3185 0.94 2629 129 0.1954 0.2172 REMARK 3 25 1.3185 - 1.3007 0.93 2628 136 0.2034 0.1932 REMARK 3 26 1.3007 - 1.2838 0.91 2611 133 0.2031 0.2023 REMARK 3 27 1.2838 - 1.2678 0.89 2439 136 0.2194 0.2413 REMARK 3 28 1.2678 - 1.2525 0.86 2449 141 0.2293 0.2501 REMARK 3 29 1.2525 - 1.2400 0.72 2043 80 0.2475 0.2935 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.100 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.190 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.010 2782 REMARK 3 ANGLE : 1.427 3767 REMARK 3 CHIRALITY : 0.081 422 REMARK 3 PLANARITY : 0.007 481 REMARK 3 DIHEDRAL : 15.656 1043 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 20 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'A' and (resid 1 through 25 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.1367 -17.5706 42.3918 REMARK 3 T TENSOR REMARK 3 T11: 0.0805 T22: 0.0902 REMARK 3 T33: 0.0531 T12: 0.0041 REMARK 3 T13: -0.0089 T23: -0.0140 REMARK 3 L TENSOR REMARK 3 L11: 2.5568 L22: 1.8191 REMARK 3 L33: 2.0170 L12: 0.3532 REMARK 3 L13: -0.4556 L23: -0.1166 REMARK 3 S TENSOR REMARK 3 S11: 0.0261 S12: -0.0162 S13: 0.0677 REMARK 3 S21: -0.0831 S22: -0.0193 S23: 0.1294 REMARK 3 S31: -0.1126 S32: -0.1700 S33: 0.0177 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'A' and (resid 26 through 37 ) REMARK 3 ORIGIN FOR THE GROUP (A): -3.7572 -7.2264 42.8293 REMARK 3 T TENSOR REMARK 3 T11: 0.2463 T22: 0.1818 REMARK 3 T33: 0.1567 T12: -0.0065 REMARK 3 T13: -0.0328 T23: -0.0011 REMARK 3 L TENSOR REMARK 3 L11: 0.8200 L22: 0.4881 REMARK 3 L33: 2.0835 L12: -0.1914 REMARK 3 L13: 2.6846 L23: 0.0982 REMARK 3 S TENSOR REMARK 3 S11: -0.2058 S12: 0.1680 S13: 0.1735 REMARK 3 S21: -0.2783 S22: 0.0321 S23: 0.1715 REMARK 3 S31: -0.5448 S32: -0.0353 S33: 0.0576 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain 'A' and (resid 38 through 46 ) REMARK 3 ORIGIN FOR THE GROUP (A): -16.5638 -16.9666 41.8095 REMARK 3 T TENSOR REMARK 3 T11: 0.2418 T22: 0.1859 REMARK 3 T33: 0.1534 T12: -0.0119 REMARK 3 T13: -0.0603 T23: 0.0068 REMARK 3 L TENSOR REMARK 3 L11: 8.5110 L22: 3.0931 REMARK 3 L33: 3.5611 L12: 5.1347 REMARK 3 L13: 5.4569 L23: 3.3338 REMARK 3 S TENSOR REMARK 3 S11: -0.4350 S12: 0.2542 S13: 0.5198 REMARK 3 S21: -0.5366 S22: 0.0710 S23: 0.5525 REMARK 3 S31: -0.2597 S32: -0.2092 S33: 0.3111 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain 'A' and (resid 47 through 74 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.1965 -21.4635 51.5166 REMARK 3 T TENSOR REMARK 3 T11: 0.0659 T22: 0.1014 REMARK 3 T33: 0.0643 T12: 0.0086 REMARK 3 T13: 0.0163 T23: -0.0048 REMARK 3 L TENSOR REMARK 3 L11: 2.2537 L22: 1.3334 REMARK 3 L33: 2.2246 L12: -0.0448 REMARK 3 L13: 1.1400 L23: -0.2872 REMARK 3 S TENSOR REMARK 3 S11: -0.0019 S12: 0.0700 S13: -0.1050 REMARK 3 S21: -0.0203 S22: 0.0262 S23: 0.0285 REMARK 3 S31: 0.0189 S32: -0.1227 S33: -0.0238 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain 'A' and (resid 75 through 86 ) REMARK 3 ORIGIN FOR THE GROUP (A): 0.0347 -22.7006 41.3981 REMARK 3 T TENSOR REMARK 3 T11: 0.0996 T22: 0.1003 REMARK 3 T33: 0.0781 T12: -0.0151 REMARK 3 T13: -0.0065 T23: 0.0070 REMARK 3 L TENSOR REMARK 3 L11: 4.6423 L22: 1.0731 REMARK 3 L33: 3.3698 L12: 0.7459 REMARK 3 L13: -2.8137 L23: -1.1825 REMARK 3 S TENSOR REMARK 3 S11: -0.0882 S12: -0.1347 S13: -0.0049 REMARK 3 S21: -0.0827 S22: -0.0333 S23: -0.0794 REMARK 3 S31: 0.0319 S32: 0.1974 S33: 0.0277 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain 'A' and (resid 87 through 104 ) REMARK 3 ORIGIN FOR THE GROUP (A): 4.1615 -28.1332 47.9849 REMARK 3 T TENSOR REMARK 3 T11: 0.1023 T22: 0.1460 REMARK 3 T33: 0.1084 T12: -0.0010 REMARK 3 T13: -0.0138 T23: -0.0016 REMARK 3 L TENSOR REMARK 3 L11: 2.4743 L22: 2.1269 REMARK 3 L33: 4.4239 L12: 1.0633 REMARK 3 L13: -2.4572 L23: -2.3992 REMARK 3 S TENSOR REMARK 3 S11: 0.0387 S12: -0.0697 S13: -0.0619 REMARK 3 S21: 0.0839 S22: -0.0506 S23: -0.0913 REMARK 3 S31: -0.0133 S32: 0.3087 S33: 0.0059 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain 'A' and (resid 105 through 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.4227 -24.2002 37.5794 REMARK 3 T TENSOR REMARK 3 T11: 0.0860 T22: 0.1222 REMARK 3 T33: 0.0828 T12: 0.0026 REMARK 3 T13: 0.0009 T23: 0.0030 REMARK 3 L TENSOR REMARK 3 L11: 1.4209 L22: 2.2824 REMARK 3 L33: 3.5854 L12: 0.7453 REMARK 3 L13: -0.9760 L23: -1.7742 REMARK 3 S TENSOR REMARK 3 S11: 0.0253 S12: -0.0234 S13: -0.0806 REMARK 3 S21: -0.1146 S22: -0.1458 S23: -0.1749 REMARK 3 S31: 0.0713 S32: 0.3235 S33: 0.1065 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain 'A' and (resid 127 through 137 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.4695 -32.6801 35.1299 REMARK 3 T TENSOR REMARK 3 T11: 0.1830 T22: 0.1934 REMARK 3 T33: 0.0824 T12: 0.0193 REMARK 3 T13: 0.0145 T23: 0.0085 REMARK 3 L TENSOR REMARK 3 L11: 7.2980 L22: 6.8400 REMARK 3 L33: 2.0849 L12: 4.8908 REMARK 3 L13: -7.8956 L23: -6.1626 REMARK 3 S TENSOR REMARK 3 S11: -0.0610 S12: 0.6068 S13: -0.0911 REMARK 3 S21: -0.4716 S22: 0.0933 S23: -0.1268 REMARK 3 S31: 0.4529 S32: -0.1177 S33: 0.0720 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: chain 'A' and (resid 138 through 151 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.2585 -20.7242 31.9488 REMARK 3 T TENSOR REMARK 3 T11: 0.0933 T22: 0.1118 REMARK 3 T33: 0.0636 T12: -0.0123 REMARK 3 T13: -0.0068 T23: 0.0009 REMARK 3 L TENSOR REMARK 3 L11: 0.8033 L22: 7.9220 REMARK 3 L33: 3.4641 L12: -1.6251 REMARK 3 L13: 0.4335 L23: -3.6997 REMARK 3 S TENSOR REMARK 3 S11: 0.1066 S12: 0.1098 S13: 0.0104 REMARK 3 S21: -0.3462 S22: -0.2070 S23: -0.0782 REMARK 3 S31: 0.0117 S32: 0.1765 S33: 0.0672 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: chain 'A' and (resid 152 through 169 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.6938 -28.8741 37.8127 REMARK 3 T TENSOR REMARK 3 T11: 0.0995 T22: 0.1511 REMARK 3 T33: 0.0886 T12: -0.0305 REMARK 3 T13: -0.0109 T23: -0.0071 REMARK 3 L TENSOR REMARK 3 L11: 4.1898 L22: 7.4290 REMARK 3 L33: 5.8837 L12: 2.4388 REMARK 3 L13: -2.4345 L23: -4.2012 REMARK 3 S TENSOR REMARK 3 S11: -0.1440 S12: 0.2215 S13: -0.2443 REMARK 3 S21: -0.2783 S22: 0.2388 S23: 0.3039 REMARK 3 S31: 0.3117 S32: -0.5795 S33: -0.0473 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: chain 'B' and (resid 0 through 25 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.5637 -19.6231 13.0133 REMARK 3 T TENSOR REMARK 3 T11: 0.0738 T22: 0.0763 REMARK 3 T33: 0.0629 T12: 0.0016 REMARK 3 T13: -0.0093 T23: 0.0158 REMARK 3 L TENSOR REMARK 3 L11: 2.8469 L22: 1.5967 REMARK 3 L33: 1.4922 L12: -0.1016 REMARK 3 L13: -0.6927 L23: 0.1854 REMARK 3 S TENSOR REMARK 3 S11: 0.0178 S12: -0.0688 S13: 0.0578 REMARK 3 S21: 0.0860 S22: -0.0228 S23: -0.1521 REMARK 3 S31: -0.0179 S32: 0.1644 S33: 0.0216 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: chain 'B' and (resid 26 through 37 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.5883 -9.3337 12.6430 REMARK 3 T TENSOR REMARK 3 T11: 0.1464 T22: 0.1440 REMARK 3 T33: 0.1602 T12: -0.0008 REMARK 3 T13: -0.0129 T23: -0.0072 REMARK 3 L TENSOR REMARK 3 L11: 0.5536 L22: 0.2753 REMARK 3 L33: 5.8102 L12: -0.0340 REMARK 3 L13: 1.9464 L23: -0.6444 REMARK 3 S TENSOR REMARK 3 S11: -0.1194 S12: -0.0856 S13: 0.1902 REMARK 3 S21: 0.1192 S22: 0.0320 S23: -0.0746 REMARK 3 S31: -0.3092 S32: 0.0358 S33: 0.0496 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: chain 'B' and (resid 38 through 46 ) REMARK 3 ORIGIN FOR THE GROUP (A): 1.2134 -18.3895 13.3070 REMARK 3 T TENSOR REMARK 3 T11: 0.2089 T22: 0.2275 REMARK 3 T33: 0.1671 T12: -0.0474 REMARK 3 T13: -0.0491 T23: -0.0064 REMARK 3 L TENSOR REMARK 3 L11: 7.0127 L22: 2.4652 REMARK 3 L33: 6.4113 L12: -3.3903 REMARK 3 L13: 3.6145 L23: -3.7622 REMARK 3 S TENSOR REMARK 3 S11: -0.2939 S12: -0.2454 S13: 0.7044 REMARK 3 S21: 0.2313 S22: -0.0363 S23: -0.3663 REMARK 3 S31: -0.4159 S32: 0.5148 S33: 0.1830 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: chain 'B' and (resid 47 through 86 ) REMARK 3 ORIGIN FOR THE GROUP (A): -8.5401 -23.6176 6.5119 REMARK 3 T TENSOR REMARK 3 T11: 0.0743 T22: 0.0874 REMARK 3 T33: 0.0765 T12: 0.0061 REMARK 3 T13: -0.0005 T23: -0.0045 REMARK 3 L TENSOR REMARK 3 L11: 1.0076 L22: 0.6286 REMARK 3 L33: 1.3099 L12: 0.1643 REMARK 3 L13: -0.6210 L23: 0.0119 REMARK 3 S TENSOR REMARK 3 S11: -0.0188 S12: -0.1038 S13: -0.0050 REMARK 3 S21: 0.0130 S22: 0.0117 S23: -0.0576 REMARK 3 S31: 0.0161 S32: 0.1627 S33: 0.0008 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: chain 'B' and (resid 87 through 104 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.0353 -30.2938 7.1128 REMARK 3 T TENSOR REMARK 3 T11: 0.0886 T22: 0.0914 REMARK 3 T33: 0.1041 T12: -0.0002 REMARK 3 T13: -0.0099 T23: 0.0096 REMARK 3 L TENSOR REMARK 3 L11: 3.2127 L22: 2.3720 REMARK 3 L33: 5.5011 L12: -1.4726 REMARK 3 L13: -3.2236 L23: 2.8800 REMARK 3 S TENSOR REMARK 3 S11: 0.0779 S12: 0.1182 S13: -0.0995 REMARK 3 S21: -0.0100 S22: -0.0593 S23: 0.0710 REMARK 3 S31: 0.0187 S32: -0.1754 S33: -0.0058 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: chain 'B' and (resid 105 through 116 ) REMARK 3 ORIGIN FOR THE GROUP (A): -11.2289 -32.4070 11.6300 REMARK 3 T TENSOR REMARK 3 T11: 0.1186 T22: 0.1145 REMARK 3 T33: 0.1293 T12: 0.0174 REMARK 3 T13: -0.0065 T23: 0.0026 REMARK 3 L TENSOR REMARK 3 L11: 0.4888 L22: 1.0871 REMARK 3 L33: 1.8677 L12: 0.5576 REMARK 3 L13: 0.7227 L23: 0.3124 REMARK 3 S TENSOR REMARK 3 S11: 0.0286 S12: 0.0650 S13: -0.2491 REMARK 3 S21: -0.1093 S22: -0.0472 S23: 0.0451 REMARK 3 S31: 0.2143 S32: 0.0965 S33: 0.0058 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: chain 'B' and (resid 117 through 126 ) REMARK 3 ORIGIN FOR THE GROUP (A): -23.7071 -20.7814 24.3678 REMARK 3 T TENSOR REMARK 3 T11: 0.1571 T22: 0.2542 REMARK 3 T33: 0.1457 T12: 0.0286 REMARK 3 T13: 0.0390 T23: 0.0276 REMARK 3 L TENSOR REMARK 3 L11: 1.9203 L22: 1.2079 REMARK 3 L33: 3.9023 L12: -1.5092 REMARK 3 L13: -2.6763 L23: 2.1708 REMARK 3 S TENSOR REMARK 3 S11: 0.1526 S12: -0.6422 S13: -0.1996 REMARK 3 S21: 0.6353 S22: -0.1371 S23: 0.2420 REMARK 3 S31: 0.2392 S32: -0.2644 S33: 0.0394 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: chain 'B' and (resid 127 through 137 ) REMARK 3 ORIGIN FOR THE GROUP (A): -20.1377 -35.1859 20.0533 REMARK 3 T TENSOR REMARK 3 T11: 0.1409 T22: 0.1763 REMARK 3 T33: 0.0917 T12: -0.0084 REMARK 3 T13: 0.0061 T23: 0.0301 REMARK 3 L TENSOR REMARK 3 L11: 6.3079 L22: 5.3861 REMARK 3 L33: 2.1145 L12: -1.9673 REMARK 3 L13: -8.6340 L23: 3.3263 REMARK 3 S TENSOR REMARK 3 S11: 0.1214 S12: -0.3102 S13: -0.1194 REMARK 3 S21: 0.3121 S22: -0.0213 S23: 0.1646 REMARK 3 S31: 0.0349 S32: -0.0847 S33: -0.1275 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: chain 'B' and (resid 138 through 151 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.5584 -23.1434 23.1931 REMARK 3 T TENSOR REMARK 3 T11: 0.0999 T22: 0.1217 REMARK 3 T33: 0.0868 T12: 0.0158 REMARK 3 T13: -0.0073 T23: 0.0026 REMARK 3 L TENSOR REMARK 3 L11: 1.3221 L22: 6.5616 REMARK 3 L33: 2.3751 L12: 1.3993 REMARK 3 L13: 0.1700 L23: 2.4341 REMARK 3 S TENSOR REMARK 3 S11: 0.0025 S12: -0.2125 S13: 0.0579 REMARK 3 S21: 0.2770 S22: -0.0728 S23: 0.2904 REMARK 3 S31: 0.0391 S32: -0.1000 S33: 0.0653 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: chain 'B' and (resid 152 through 169 ) REMARK 3 ORIGIN FOR THE GROUP (A): -2.0604 -30.9257 17.2634 REMARK 3 T TENSOR REMARK 3 T11: 0.1055 T22: 0.1032 REMARK 3 T33: 0.0957 T12: 0.0393 REMARK 3 T13: -0.0156 T23: 0.0131 REMARK 3 L TENSOR REMARK 3 L11: 3.6025 L22: 7.8423 REMARK 3 L33: 4.9082 L12: -1.6726 REMARK 3 L13: -1.3329 L23: 3.6086 REMARK 3 S TENSOR REMARK 3 S11: -0.0153 S12: -0.0553 S13: -0.2483 REMARK 3 S21: 0.2115 S22: 0.1129 S23: -0.4017 REMARK 3 S31: 0.3908 S32: 0.4129 S33: -0.0615 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4OBE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JAN-14. REMARK 100 THE RCSB ID CODE IS RCSB084279. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-DEC-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97926 REMARK 200 MONOCHROMATOR : ROSENBAUM-ROCK HIGH-RESOLUTION REMARK 200 DOUBLE-CRYSTAL MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 81203 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.240 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 2.0600 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.24 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.26 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.1 REMARK 200 DATA REDUNDANCY IN SHELL : 3.20 REMARK 200 R MERGE FOR SHELL (I) : 0.39500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 4EPV REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.09 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M SODIUM ACETATE PH4.5, 0.1M TRIS REMARK 280 PH 8.5, 26% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 33.07350 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.04800 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 33.07350 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 21.04800 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 0 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN A 43 CG CD OE1 NE2 REMARK 470 GLU A 107 CG CD OE1 OE2 REMARK 470 LYS A 169 CG CD CE NZ REMARK 470 GLN B 43 CG CD OE1 NE2 REMARK 470 GLU B 107 CG CD OE1 OE2 REMARK 470 LYS B 169 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT 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 HOH B 337 O HOH B 427 2.16 REMARK 500 O HOH A 352 O HOH B 427 2.18 REMARK 500 O HOH B 414 O HOH B 443 2.19 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 LYS A 117 32.25 73.02 REMARK 500 LYS B 117 32.35 72.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG B 202 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH B 479 O REMARK 620 2 GDP B 201 O1B 94.8 REMARK 620 3 HOH B 305 O 92.9 172.1 REMARK 620 4 HOH B 469 O 90.0 89.7 88.6 REMARK 620 5 SER B 17 OG 83.9 90.3 92.2 173.9 REMARK 620 6 HOH B 302 O 175.2 87.5 84.9 94.2 91.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 202 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GDP A 201 O1B REMARK 620 2 HOH A 453 O 94.5 REMARK 620 3 SER A 17 OG 91.5 83.5 REMARK 620 4 HOH A 302 O 90.2 88.9 172.4 REMARK 620 5 HOH A 303 O 171.8 93.4 91.5 87.8 REMARK 620 6 HOH A 301 O 87.3 175.4 92.2 95.3 85.0 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 202 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4NMM RELATED DB: PDB REMARK 900 G12C KRAS INHIBITOR COMPLEX REMARK 900 RELATED ID: 4LDJ RELATED DB: PDB REMARK 900 G12C KRAS REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE SEQUENCE MATCHES UNIPROT ENTRY P01116, ISOFORM 2B WITH REMARK 999 IDENTIFIER P01116-2 DBREF 4OBE A 1 169 UNP P01116 RASK_HUMAN 1 169 DBREF 4OBE B 1 169 UNP P01116 RASK_HUMAN 1 169 SEQADV 4OBE GLY A 0 UNP P01116 EXPRESSION TAG SEQADV 4OBE GLY B 0 UNP P01116 EXPRESSION TAG SEQRES 1 A 170 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY SEQRES 2 A 170 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 A 170 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 A 170 SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS SEQRES 5 A 170 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 A 170 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 A 170 PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 A 170 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 A 170 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 A 170 LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 A 170 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 A 170 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 A 170 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU SEQRES 14 A 170 LYS SEQRES 1 B 170 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY SEQRES 2 B 170 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 B 170 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 B 170 SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS SEQRES 5 B 170 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 B 170 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 B 170 PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 B 170 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 B 170 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 B 170 LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 B 170 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 B 170 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 B 170 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU SEQRES 14 B 170 LYS HET GDP A 201 37 HET MG A 202 1 HET GDP B 201 37 HET MG B 202 1 HETNAM GDP GUANOSINE-5'-DIPHOSPHATE HETNAM MG MAGNESIUM ION FORMUL 3 GDP 2(C10 H15 N5 O11 P2) FORMUL 4 MG 2(MG 2+) FORMUL 7 HOH *355(H2 O) HELIX 1 1 GLY A 15 ASN A 26 1 12 HELIX 2 2 TYR A 64 GLY A 75 1 12 HELIX 3 3 ASN A 86 ASP A 105 1 20 HELIX 4 4 ASP A 126 GLY A 138 1 13 HELIX 5 5 GLY A 151 GLU A 168 1 18 HELIX 6 6 GLY B 15 ASN B 26 1 12 HELIX 7 7 TYR B 64 GLY B 75 1 12 HELIX 8 8 ASN B 86 ASP B 105 1 20 HELIX 9 9 ASP B 126 GLY B 138 1 13 HELIX 10 10 GLY B 151 GLU B 168 1 18 SHEET 1 A 6 ASP A 38 ILE A 46 0 SHEET 2 A 6 GLU A 49 ASP A 57 -1 O CYS A 51 N VAL A 44 SHEET 3 A 6 THR A 2 VAL A 9 1 N TYR A 4 O ASP A 54 SHEET 4 A 6 GLY A 77 ALA A 83 1 O LEU A 79 N VAL A 9 SHEET 5 A 6 MET A 111 ASN A 116 1 O ASN A 116 N PHE A 82 SHEET 6 A 6 PHE A 141 GLU A 143 1 O ILE A 142 N LEU A 113 SHEET 1 B 6 ASP B 38 ILE B 46 0 SHEET 2 B 6 GLU B 49 ASP B 57 -1 O CYS B 51 N VAL B 44 SHEET 3 B 6 MET B 1 VAL B 9 1 N TYR B 4 O ASP B 54 SHEET 4 B 6 GLY B 77 ALA B 83 1 O VAL B 81 N VAL B 9 SHEET 5 B 6 MET B 111 ASN B 116 1 O ASN B 116 N PHE B 82 SHEET 6 B 6 PHE B 141 GLU B 143 1 O ILE B 142 N LEU B 113 LINK MG MG B 202 O HOH B 479 1555 1555 2.03 LINK O1B GDP A 201 MG MG A 202 1555 1555 2.05 LINK MG MG A 202 O HOH A 453 1555 1555 2.05 LINK O1B GDP B 201 MG MG B 202 1555 1555 2.07 LINK MG MG B 202 O HOH B 305 1555 1555 2.08 LINK OG SER A 17 MG MG A 202 1555 1555 2.09 LINK MG MG B 202 O HOH B 469 1555 1555 2.09 LINK MG MG A 202 O HOH A 302 1555 1555 2.09 LINK MG MG A 202 O HOH A 303 1555 1555 2.09 LINK OG SER B 17 MG MG B 202 1555 1555 2.09 LINK MG MG B 202 O HOH B 302 1555 1555 2.12 LINK MG MG A 202 O HOH A 301 1555 1555 2.13 SITE 1 AC1 23 GLY A 13 VAL A 14 GLY A 15 LYS A 16 SITE 2 AC1 23 SER A 17 ALA A 18 ASP A 30 ASN A 116 SITE 3 AC1 23 LYS A 117 ASP A 119 LEU A 120 SER A 145 SITE 4 AC1 23 ALA A 146 MG A 202 HOH A 301 HOH A 302 SITE 5 AC1 23 HOH A 339 HOH A 356 HOH A 365 HOH A 424 SITE 6 AC1 23 HOH A 450 HOH A 453 HOH A 463 SITE 1 AC2 6 SER A 17 GDP A 201 HOH A 301 HOH A 302 SITE 2 AC2 6 HOH A 303 HOH A 453 SITE 1 AC3 25 GLY B 0 GLY B 13 VAL B 14 GLY B 15 SITE 2 AC3 25 LYS B 16 SER B 17 ALA B 18 PHE B 28 SITE 3 AC3 25 ASP B 30 GLU B 49 ASN B 116 LYS B 117 SITE 4 AC3 25 ASP B 119 LEU B 120 SER B 145 ALA B 146 SITE 5 AC3 25 LYS B 147 MG B 202 HOH B 302 HOH B 330 SITE 6 AC3 25 HOH B 356 HOH B 368 HOH B 441 HOH B 469 SITE 7 AC3 25 HOH B 479 SITE 1 AC4 6 SER B 17 GDP B 201 HOH B 302 HOH B 305 SITE 2 AC4 6 HOH B 469 HOH B 479 CRYST1 66.147 42.096 114.393 90.00 105.32 90.00 C 1 2 1 8 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 0.015118 0.000000 0.004141 0.00000 SCALE2 0.000000 0.023755 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009064 0.00000 ATOM 1 N MET A 1 -27.627 -24.977 41.810 1.00 29.80 N ANISOU 1 N MET A 1 2207 4860 4256 -545 -390 -182 N ATOM 2 CA MET A 1 -26.323 -24.363 42.027 1.00 22.12 C ANISOU 2 CA MET A 1 1372 3831 3203 -462 -355 -176 C ATOM 3 C MET A 1 -25.639 -25.105 43.161 1.00 18.80 C ANISOU 3 C MET A 1 1023 3342 2780 -533 -234 -168 C ATOM 4 O MET A 1 -26.234 -25.325 44.182 1.00 23.50 O ANISOU 4 O MET A 1 1543 3963 3425 -561 -139 -142 O ATOM 5 CB MET A 1 -26.604 -22.928 42.398 1.00 27.52 C ANISOU 5 CB MET A 1 1991 4571 3897 -300 -329 -143 C ATOM 6 CG MET A 1 -25.370 -22.072 42.462 1.00 33.55 C ANISOU 6 CG MET A 1 2879 5284 4585 -198 -312 -140 C ATOM 7 SD MET A 1 -25.627 -20.478 43.313 1.00 26.07 S ANISOU 7 SD MET A 1 1871 4362 3670 -15 -228 -118 S ATOM 8 CE MET A 1 -25.780 -19.354 41.921 1.00 30.02 C ANISOU 8 CE MET A 1 2370 4870 4169 114 -365 -82 C ATOM 9 H MET A 1 -27.929 -24.754 41.003 1.00 35.76 H ATOM 10 HA MET A 1 -25.787 -24.397 41.219 1.00 26.55 H ATOM 11 HB2 MET A 1 -27.198 -22.544 41.735 1.00 33.03 H ATOM 12 HB3 MET A 1 -27.026 -22.907 43.271 1.00 33.03 H ATOM 13 HG2 MET A 1 -24.678 -22.555 42.940 1.00 40.26 H ATOM 14 HG3 MET A 1 -25.074 -21.881 41.558 1.00 40.26 H ATOM 15 HE1 MET A 1 -25.923 -18.455 42.255 1.00 36.03 H ATOM 16 HE2 MET A 1 -24.964 -19.387 41.398 1.00 36.03 H ATOM 17 HE3 MET A 1 -26.534 -19.628 41.375 1.00 36.03 H ATOM 18 N THR A 2 -24.382 -25.465 42.967 1.00 17.43 N ANISOU 18 N THR A 2 995 3082 2546 -559 -237 -184 N ATOM 19 CA THR A 2 -23.544 -25.962 44.052 1.00 17.91 C ANISOU 19 CA THR A 2 1134 3077 2593 -599 -130 -157 C ATOM 20 C THR A 2 -22.386 -24.999 44.212 1.00 14.97 C ANISOU 20 C THR A 2 850 2695 2144 -493 -119 -155 C ATOM 21 O THR A 2 -21.829 -24.540 43.212 1.00 15.80 O ANISOU 21 O THR A 2 1015 2785 2204 -444 -203 -183 O ATOM 22 CB THR A 2 -23.020 -27.340 43.714 1.00 19.23 C ANISOU 22 CB THR A 2 1393 3133 2781 -728 -139 -174 C ATOM 23 OG1 THR A 2 -24.129 -28.199 43.462 1.00 22.11 O ANISOU 23 OG1 THR A 2 1673 3502 3224 -830 -159 -186 O ATOM 24 CG2 THR A 2 -22.179 -27.919 44.842 1.00 30.29 C ANISOU 24 CG2 THR A 2 2874 4458 4178 -767 -33 -119 C ATOM 25 H THR A 2 -23.982 -25.432 42.206 1.00 20.92 H ATOM 26 HA THR A 2 -24.048 -26.001 44.879 1.00 21.49 H ATOM 27 HB THR A 2 -22.468 -27.288 42.918 1.00 23.08 H ATOM 28 HG1 THR A 2 -24.619 -28.242 44.143 1.00 26.53 H ATOM 29 HG21 THR A 2 -21.858 -28.801 44.597 1.00 36.35 H ATOM 30 HG22 THR A 2 -21.418 -27.343 45.016 1.00 36.35 H ATOM 31 HG23 THR A 2 -22.712 -27.990 45.649 1.00 36.35 H ATOM 32 N GLU A 3 -22.013 -24.727 45.464 1.00 14.51 N ANISOU 32 N GLU A 3 806 2646 2062 -465 -13 -121 N ATOM 33 CA GLU A 3 -20.844 -23.919 45.748 1.00 13.19 C ANISOU 33 CA GLU A 3 753 2436 1823 -370 5 -118 C ATOM 34 C GLU A 3 -19.614 -24.789 45.952 1.00 12.34 C ANISOU 34 C GLU A 3 791 2213 1685 -425 23 -90 C ATOM 35 O GLU A 3 -19.687 -25.812 46.635 1.00 14.09 O ANISOU 35 O GLU A 3 1011 2412 1932 -519 81 -47 O ATOM 36 CB GLU A 3 -21.112 -23.032 46.955 1.00 13.42 C ANISOU 36 CB GLU A 3 739 2530 1829 -293 103 -109 C ATOM 37 CG GLU A 3 -20.088 -21.941 47.105 1.00 13.43 C ANISOU 37 CG GLU A 3 857 2479 1767 -182 107 -126 C ATOM 38 CD GLU A 3 -20.450 -20.877 48.131 1.00 13.38 C ANISOU 38 CD GLU A 3 809 2532 1741 -97 199 -152 C ATOM 39 OE1 GLU A 3 -19.764 -19.827 48.136 1.00 13.36 O ANISOU 39 OE1 GLU A 3 890 2481 1706 -6 197 -183 O ATOM 40 OE2 GLU A 3 -21.370 -21.087 48.944 1.00 14.27 O ANISOU 40 OE2 GLU A 3 815 2736 1873 -125 283 -148 O ATOM 41 H GLU A 3 -22.427 -25.004 46.165 1.00 17.42 H ATOM 42 HA GLU A 3 -20.674 -23.340 44.988 1.00 15.83 H ATOM 43 HB2 GLU A 3 -21.982 -22.615 46.855 1.00 16.10 H ATOM 44 HB3 GLU A 3 -21.093 -23.575 47.758 1.00 16.10 H ATOM 45 HG2 GLU A 3 -19.247 -22.340 47.379 1.00 16.12 H ATOM 46 HG3 GLU A 3 -19.976 -21.499 46.249 1.00 16.12 H ATOM 47 N TYR A 4 -18.504 -24.369 45.355 1.00 12.07 N ANISOU 47 N TYR A 4 874 2108 1606 -363 -23 -106 N ATOM 48 CA TYR A 4 -17.234 -25.055 45.473 1.00 11.38 C ANISOU 48 CA TYR A 4 911 1915 1497 -388 -10 -81 C ATOM 49 C TYR A 4 -16.183 -24.111 46.005 1.00 12.18 C ANISOU 49 C TYR A 4 1091 2005 1533 -299 12 -69 C ATOM 50 O TYR A 4 -16.114 -22.971 45.553 1.00 11.97 O ANISOU 50 O TYR A 4 1071 1997 1481 -218 -19 -103 O ATOM 51 CB TYR A 4 -16.750 -25.533 44.108 1.00 16.09 C ANISOU 51 CB TYR A 4 1571 2438 2103 -412 -82 -125 C ATOM 52 CG TYR A 4 -17.628 -26.562 43.455 1.00 17.45 C ANISOU 52 CG TYR A 4 1687 2608 2336 -522 -115 -161 C ATOM 53 CD1 TYR A 4 -17.622 -27.883 43.870 1.00 19.44 C ANISOU 53 CD1 TYR A 4 1955 2781 2652 -625 -68 -137 C ATOM 54 CD2 TYR A 4 -18.463 -26.212 42.423 1.00 24.37 C ANISOU 54 CD2 TYR A 4 2494 3559 3208 -527 -197 -215 C ATOM 55 CE1 TYR A 4 -18.416 -28.836 43.263 1.00 25.09 C ANISOU 55 CE1 TYR A 4 2623 3478 3433 -745 -95 -185 C ATOM 56 CE2 TYR A 4 -19.270 -27.153 41.810 1.00 27.79 C ANISOU 56 CE2 TYR A 4 2868 4002 3690 -647 -238 -263 C ATOM 57 CZ TYR A 4 -19.243 -28.468 42.233 1.00 25.68 C ANISOU 57 CZ TYR A 4 2623 3643 3494 -763 -183 -258 C ATOM 58 OH TYR A 4 -20.051 -29.409 41.608 1.00 23.23 O ANISOU 58 OH TYR A 4 2287 3300 3239 -854 -218 -301 O ATOM 59 H TYR A 4 -18.466 -23.665 44.862 1.00 14.49 H ATOM 60 HA TYR A 4 -17.316 -25.815 46.070 1.00 13.65 H ATOM 61 HB2 TYR A 4 -16.701 -24.769 43.512 1.00 19.30 H ATOM 62 HB3 TYR A 4 -15.868 -25.922 44.212 1.00 19.30 H ATOM 63 HD1 TYR A 4 -17.058 -28.138 44.565 1.00 23.33 H ATOM 64 HD2 TYR A 4 -18.483 -25.330 42.129 1.00 29.25 H ATOM 65 HE1 TYR A 4 -18.395 -29.719 43.554 1.00 30.11 H ATOM 66 HE2 TYR A 4 -19.827 -26.901 41.109 1.00 33.35 H ATOM 67 HH TYR A 4 -20.500 -29.043 41.000 1.00 27.87 H ATOM 68 N LYS A 5 -15.365 -24.586 46.941 1.00 10.54 N ANISOU 68 N LYS A 5 940 1765 1298 -318 59 -16 N ATOM 69 CA LYS A 5 -14.261 -23.792 47.472 1.00 11.52 C ANISOU 69 CA LYS A 5 1134 1886 1355 -254 69 -10 C ATOM 70 C LYS A 5 -12.984 -24.120 46.719 1.00 9.91 C ANISOU 70 C LYS A 5 1016 1592 1158 -242 28 -8 C ATOM 71 O LYS A 5 -12.467 -25.228 46.795 1.00 10.33 O ANISOU 71 O LYS A 5 1099 1581 1242 -282 36 38 O ATOM 72 CB LYS A 5 -14.073 -24.020 48.974 1.00 12.10 C ANISOU 72 CB LYS A 5 1210 2012 1375 -278 132 50 C ATOM 73 CG LYS A 5 -15.135 -23.345 49.817 1.00 17.84 C ANISOU 73 CG LYS A 5 1863 2846 2070 -269 193 26 C ATOM 74 CD LYS A 5 -14.892 -23.548 51.286 1.00 28.59 C ANISOU 74 CD LYS A 5 3240 4278 3344 -299 258 82 C ATOM 75 CE LYS A 5 -14.192 -22.354 51.856 1.00 39.37 C ANISOU 75 CE LYS A 5 4654 5683 4620 -242 264 27 C ATOM 76 NZ LYS A 5 -15.047 -21.142 51.970 1.00 25.61 N ANISOU 76 NZ LYS A 5 2863 3992 2874 -186 308 -67 N ATOM 77 H LYS A 5 -15.428 -25.371 47.287 1.00 12.64 H ATOM 78 HA LYS A 5 -14.456 -22.852 47.335 1.00 13.82 H ATOM 79 HB2 LYS A 5 -14.109 -24.973 49.154 1.00 14.52 H ATOM 80 HB3 LYS A 5 -13.210 -23.666 49.240 1.00 14.52 H ATOM 81 HG2 LYS A 5 -15.127 -22.392 49.637 1.00 21.41 H ATOM 82 HG3 LYS A 5 -16.002 -23.721 49.599 1.00 21.41 H ATOM 83 HD2 LYS A 5 -15.740 -23.657 51.744 1.00 34.30 H ATOM 84 HD3 LYS A 5 -14.330 -24.327 51.418 1.00 34.30 H ATOM 85 HE2 LYS A 5 -13.873 -22.575 52.745 1.00 47.24 H ATOM 86 HE3 LYS A 5 -13.440 -22.131 51.285 1.00 47.24 H ATOM 87 HZ1 LYS A 5 -14.577 -20.470 52.314 1.00 30.73 H ATOM 88 HZ2 LYS A 5 -15.347 -20.905 51.167 1.00 30.73 H ATOM 89 HZ3 LYS A 5 -15.742 -21.310 52.500 1.00 30.73 H ATOM 90 N LEU A 6 -12.457 -23.108 46.045 1.00 10.01 N ANISOU 90 N LEU A 6 1065 1593 1146 -182 -5 -52 N ATOM 91 CA LEU A 6 -11.198 -23.175 45.318 1.00 9.07 C ANISOU 91 CA LEU A 6 1018 1406 1024 -164 -30 -56 C ATOM 92 C LEU A 6 -10.190 -22.319 46.074 1.00 10.34 C ANISOU 92 C LEU A 6 1211 1584 1135 -128 -16 -47 C ATOM 93 O LEU A 6 -10.534 -21.250 46.583 1.00 11.73 O ANISOU 93 O LEU A 6 1374 1806 1278 -101 -3 -75 O ATOM 94 CB LEU A 6 -11.348 -22.629 43.892 1.00 9.85 C ANISOU 94 CB LEU A 6 1134 1487 1120 -137 -74 -106 C ATOM 95 CG LEU A 6 -12.007 -23.551 42.852 1.00 11.55 C ANISOU 95 CG LEU A 6 1337 1685 1368 -185 -106 -135 C ATOM 96 CD1 LEU A 6 -13.394 -23.981 43.196 1.00 12.93 C ANISOU 96 CD1 LEU A 6 1427 1910 1577 -232 -108 -135 C ATOM 97 CD2 LEU A 6 -12.010 -22.863 41.519 1.00 11.48 C ANISOU 97 CD2 LEU A 6 1356 1685 1321 -155 -156 -172 C ATOM 98 H LEU A 6 -12.830 -22.335 45.993 1.00 12.01 H ATOM 99 HA LEU A 6 -10.879 -24.090 45.279 1.00 10.89 H ATOM 100 HB2 LEU A 6 -11.882 -21.820 43.934 1.00 11.82 H ATOM 101 HB3 LEU A 6 -10.464 -22.411 43.560 1.00 11.82 H ATOM 102 HG LEU A 6 -11.467 -24.352 42.766 1.00 13.86 H ATOM 103 HD11 LEU A 6 -13.730 -24.556 42.490 1.00 15.52 H ATOM 104 HD12 LEU A 6 -13.375 -24.465 44.036 1.00 15.52 H ATOM 105 HD13 LEU A 6 -13.956 -23.195 43.279 1.00 15.52 H ATOM 106 HD21 LEU A 6 -12.426 -23.446 40.865 1.00 13.78 H ATOM 107 HD22 LEU A 6 -12.512 -22.036 41.592 1.00 13.78 H ATOM 108 HD23 LEU A 6 -11.095 -22.674 41.260 1.00 13.78 H ATOM 109 N VAL A 7 -8.947 -22.782 46.149 1.00 8.80 N ANISOU 109 N VAL A 7 1051 1351 941 -130 -18 -14 N ATOM 110 CA VAL A 7 -7.891 -22.068 46.856 1.00 8.46 C ANISOU 110 CA VAL A 7 1025 1339 852 -114 -18 -6 C ATOM 111 C VAL A 7 -6.696 -21.898 45.912 1.00 9.45 C ANISOU 111 C VAL A 7 1183 1410 996 -94 -33 -19 C ATOM 112 O VAL A 7 -6.205 -22.868 45.341 1.00 9.33 O ANISOU 112 O VAL A 7 1175 1342 1026 -93 -30 2 O ATOM 113 CB VAL A 7 -7.489 -22.830 48.131 1.00 9.75 C ANISOU 113 CB VAL A 7 1171 1544 989 -137 -9 69 C ATOM 114 CG1 VAL A 7 -6.393 -22.090 48.869 1.00 9.89 C ANISOU 114 CG1 VAL A 7 1195 1616 945 -133 -26 70 C ATOM 115 CG2 VAL A 7 -8.698 -23.071 49.040 1.00 9.97 C ANISOU 115 CG2 VAL A 7 1167 1633 989 -167 23 90 C ATOM 116 H VAL A 7 -8.686 -23.520 45.792 1.00 10.56 H ATOM 117 HA VAL A 7 -8.209 -21.188 47.111 1.00 10.16 H ATOM 118 HB VAL A 7 -7.137 -23.697 47.875 1.00 11.70 H ATOM 119 HG11 VAL A 7 -6.158 -22.589 49.667 1.00 11.86 H ATOM 120 HG12 VAL A 7 -5.620 -22.010 48.288 1.00 11.86 H ATOM 121 HG13 VAL A 7 -6.717 -21.209 49.113 1.00 11.86 H ATOM 122 HG21 VAL A 7 -8.407 -23.552 49.831 1.00 11.97 H ATOM 123 HG22 VAL A 7 -9.077 -22.215 49.294 1.00 11.97 H ATOM 124 HG23 VAL A 7 -9.357 -23.594 48.557 1.00 11.97 H ATOM 125 N VAL A 8 -6.223 -20.667 45.751 1.00 8.56 N ANISOU 125 N VAL A 8 1090 1305 857 -81 -37 -57 N ATOM 126 CA VAL A 8 -5.112 -20.338 44.858 1.00 9.07 C ANISOU 126 CA VAL A 8 1181 1331 937 -72 -38 -67 C ATOM 127 C VAL A 8 -3.882 -20.162 45.747 1.00 9.08 C ANISOU 127 C VAL A 8 1158 1369 921 -89 -45 -45 C ATOM 128 O VAL A 8 -3.860 -19.271 46.604 1.00 9.53 O ANISOU 128 O VAL A 8 1214 1470 935 -109 -51 -71 O ATOM 129 CB VAL A 8 -5.406 -19.045 44.057 1.00 9.54 C ANISOU 129 CB VAL A 8 1277 1365 984 -58 -38 -109 C ATOM 130 CG1 VAL A 8 -4.278 -18.770 43.128 1.00 10.26 C ANISOU 130 CG1 VAL A 8 1393 1422 1083 -61 -25 -107 C ATOM 131 CG2 VAL A 8 -6.725 -19.175 43.305 1.00 9.89 C ANISOU 131 CG2 VAL A 8 1324 1401 1033 -37 -51 -120 C ATOM 132 H VAL A 8 -6.539 -19.982 46.162 1.00 10.27 H ATOM 133 HA VAL A 8 -4.955 -21.067 44.238 1.00 10.89 H ATOM 134 HB VAL A 8 -5.480 -18.299 44.673 1.00 11.45 H ATOM 135 HG11 VAL A 8 -4.470 -17.960 42.631 1.00 12.31 H ATOM 136 HG12 VAL A 8 -3.465 -18.658 43.644 1.00 12.31 H ATOM 137 HG13 VAL A 8 -4.183 -19.518 42.518 1.00 12.31 H ATOM 138 HG21 VAL A 8 -6.888 -18.356 42.812 1.00 11.87 H ATOM 139 HG22 VAL A 8 -6.666 -19.924 42.692 1.00 11.87 H ATOM 140 HG23 VAL A 8 -7.439 -19.325 43.944 1.00 11.87 H ATOM 141 N VAL A 9 -2.882 -21.037 45.562 1.00 8.56 N ANISOU 141 N VAL A 9 1068 1291 893 -80 -44 -3 N ATOM 142 CA VAL A 9 -1.667 -21.061 46.387 1.00 9.39 C ANISOU 142 CA VAL A 9 1125 1451 991 -90 -65 36 C ATOM 143 C VAL A 9 -0.440 -20.918 45.498 1.00 9.23 C ANISOU 143 C VAL A 9 1086 1405 1015 -81 -47 29 C ATOM 144 O VAL A 9 -0.515 -21.116 44.282 1.00 9.03 O ANISOU 144 O VAL A 9 1091 1318 1021 -61 -11 5 O ATOM 145 CB VAL A 9 -1.543 -22.346 47.253 1.00 10.83 C ANISOU 145 CB VAL A 9 1270 1658 1188 -72 -81 124 C ATOM 146 CG1 VAL A 9 -2.779 -22.548 48.125 1.00 11.49 C ANISOU 146 CG1 VAL A 9 1369 1774 1223 -92 -83 140 C ATOM 147 CG2 VAL A 9 -1.321 -23.570 46.418 1.00 10.80 C ANISOU 147 CG2 VAL A 9 1264 1567 1273 -30 -53 156 C ATOM 148 H VAL A 9 -2.887 -21.640 44.949 1.00 10.27 H ATOM 149 HA VAL A 9 -1.685 -20.301 46.989 1.00 11.26 H ATOM 150 HB VAL A 9 -0.780 -22.250 47.844 1.00 13.00 H ATOM 151 HG11 VAL A 9 -2.667 -23.357 48.649 1.00 13.79 H ATOM 152 HG12 VAL A 9 -2.879 -21.783 48.713 1.00 13.79 H ATOM 153 HG13 VAL A 9 -3.559 -22.630 47.554 1.00 13.79 H ATOM 154 HG21 VAL A 9 -1.251 -24.342 47.001 1.00 12.96 H ATOM 155 HG22 VAL A 9 -2.071 -23.679 45.812 1.00 12.96 H ATOM 156 HG23 VAL A 9 -0.500 -23.461 45.912 1.00 12.96 H ATOM 157 N GLY A 10 0.697 -20.559 46.089 1.00 9.21 N ANISOU 157 N GLY A 10 1027 1463 1008 -102 -70 47 N ATOM 158 CA GLY A 10 1.943 -20.350 45.372 1.00 9.96 C ANISOU 158 CA GLY A 10 1079 1555 1150 -104 -47 44 C ATOM 159 C GLY A 10 2.747 -19.263 46.042 1.00 9.99 C ANISOU 159 C GLY A 10 1041 1630 1123 -170 -80 21 C ATOM 160 O GLY A 10 2.225 -18.451 46.817 1.00 10.79 O ANISOU 160 O GLY A 10 1176 1760 1162 -216 -107 -20 O ATOM 161 H GLY A 10 0.768 -20.426 46.936 1.00 11.05 H ATOM 162 HA2 GLY A 10 2.463 -21.169 45.367 1.00 11.95 H ATOM 163 HA3 GLY A 10 1.759 -20.087 44.457 1.00 11.95 H ATOM 164 N ALA A 11 4.030 -19.231 45.724 1.00 10.37 N ANISOU 164 N ALA A 11 1013 1707 1221 -179 -70 37 N ATOM 165 CA ALA A 11 4.948 -18.256 46.267 1.00 10.88 C ANISOU 165 CA ALA A 11 1020 1844 1272 -260 -102 11 C ATOM 166 C ALA A 11 4.512 -16.834 45.993 1.00 11.37 C ANISOU 166 C ALA A 11 1164 1851 1304 -331 -78 -70 C ATOM 167 O ALA A 11 3.809 -16.524 45.025 1.00 10.84 O ANISOU 167 O ALA A 11 1183 1693 1245 -310 -25 -89 O ATOM 168 CB ALA A 11 6.323 -18.486 45.670 1.00 12.80 C ANISOU 168 CB ALA A 11 1157 2115 1592 -255 -74 40 C ATOM 169 H ALA A 11 4.401 -19.782 45.177 1.00 12.44 H ATOM 170 HA ALA A 11 5.009 -18.375 47.228 1.00 13.06 H ATOM 171 HB1 ALA A 11 6.938 -17.831 46.035 1.00 15.36 H ATOM 172 HB2 ALA A 11 6.619 -19.381 45.896 1.00 15.36 H ATOM 173 HB3 ALA A 11 6.268 -18.388 44.707 1.00 15.36 H ATOM 174 N GLY A 12 4.943 -15.926 46.842 1.00 13.27 N ANISOU 174 N GLY A 12 1382 2147 1513 -418 -119 -117 N ATOM 175 CA GLY A 12 4.645 -14.532 46.621 1.00 14.13 C ANISOU 175 CA GLY A 12 1571 2180 1619 -489 -87 -196 C ATOM 176 C GLY A 12 5.181 -14.093 45.277 1.00 15.33 C ANISOU 176 C GLY A 12 1733 2254 1836 -504 -15 -182 C ATOM 177 O GLY A 12 6.297 -14.452 44.895 1.00 17.09 O ANISOU 177 O GLY A 12 1862 2526 2106 -517 0 -146 O ATOM 178 H GLY A 12 5.406 -16.089 47.549 1.00 15.92 H ATOM 179 HA2 GLY A 12 3.686 -14.392 46.638 1.00 16.96 H ATOM 180 HA3 GLY A 12 5.055 -13.991 47.314 1.00 16.96 H ATOM 181 N GLY A 13 4.371 -13.326 44.557 1.00 12.02 N ANISOU 181 N GLY A 13 1424 1723 1421 -496 33 -203 N ATOM 182 CA GLY A 13 4.751 -12.767 43.284 1.00 12.06 C ANISOU 182 CA GLY A 13 1462 1653 1467 -518 104 -177 C ATOM 183 C GLY A 13 4.493 -13.632 42.062 1.00 12.25 C ANISOU 183 C GLY A 13 1507 1663 1485 -434 150 -120 C ATOM 184 O GLY A 13 4.790 -13.184 40.965 1.00 13.75 O ANISOU 184 O GLY A 13 1732 1807 1686 -453 214 -93 O ATOM 185 H GLY A 13 3.574 -13.113 44.799 1.00 14.42 H ATOM 186 HA2 GLY A 13 4.274 -11.932 43.158 1.00 14.47 H ATOM 187 HA3 GLY A 13 5.699 -12.565 43.305 1.00 14.47 H ATOM 188 N VAL A 14 3.939 -14.834 42.204 1.00 10.83 N ANISOU 188 N VAL A 14 1314 1518 1283 -352 123 -104 N ATOM 189 CA VAL A 14 3.744 -15.682 41.031 1.00 11.55 C ANISOU 189 CA VAL A 14 1428 1593 1367 -287 169 -74 C ATOM 190 C VAL A 14 2.550 -15.261 40.160 1.00 9.99 C ANISOU 190 C VAL A 14 1344 1328 1125 -257 180 -71 C ATOM 191 O VAL A 14 2.490 -15.642 39.002 1.00 10.70 O ANISOU 191 O VAL A 14 1468 1410 1187 -231 223 -54 O ATOM 192 CB VAL A 14 3.591 -17.189 41.404 1.00 11.84 C ANISOU 192 CB VAL A 14 1416 1670 1414 -216 143 -61 C ATOM 193 CG1 VAL A 14 4.879 -17.692 42.057 1.00 10.88 C ANISOU 193 CG1 VAL A 14 1169 1621 1345 -224 133 -38 C ATOM 194 CG2 VAL A 14 2.343 -17.426 42.246 1.00 9.72 C ANISOU 194 CG2 VAL A 14 1186 1395 1113 -189 84 -70 C ATOM 195 H VAL A 14 3.674 -15.175 42.947 1.00 13.00 H ATOM 196 HA VAL A 14 4.537 -15.608 40.477 1.00 13.86 H ATOM 197 HB VAL A 14 3.476 -17.690 40.581 1.00 14.21 H ATOM 198 HG11 VAL A 14 4.772 -18.629 42.284 1.00 13.06 H ATOM 199 HG12 VAL A 14 5.613 -17.584 41.432 1.00 13.06 H ATOM 200 HG13 VAL A 14 5.049 -17.174 42.860 1.00 13.06 H ATOM 201 HG21 VAL A 14 2.281 -18.371 42.458 1.00 11.66 H ATOM 202 HG22 VAL A 14 2.411 -16.908 43.063 1.00 11.66 H ATOM 203 HG23 VAL A 14 1.564 -17.148 41.741 1.00 11.66 H ATOM 204 N GLY A 15 1.640 -14.470 40.723 1.00 10.27 N ANISOU 204 N GLY A 15 1431 1322 1148 -260 143 -89 N ATOM 205 CA GLY A 15 0.454 -13.998 40.030 1.00 10.95 C ANISOU 205 CA GLY A 15 1604 1351 1204 -220 139 -74 C ATOM 206 C GLY A 15 -0.880 -14.533 40.499 1.00 10.21 C ANISOU 206 C GLY A 15 1518 1270 1091 -161 90 -90 C ATOM 207 O GLY A 15 -1.852 -14.509 39.735 1.00 10.76 O ANISOU 207 O GLY A 15 1634 1322 1133 -117 78 -71 O ATOM 208 H GLY A 15 1.693 -14.187 41.533 1.00 12.32 H ATOM 209 HA2 GLY A 15 0.421 -13.031 40.102 1.00 13.13 H ATOM 210 HA3 GLY A 15 0.541 -14.219 39.089 1.00 13.13 H ATOM 211 N LYS A 16 -0.955 -14.974 41.756 1.00 9.71 N ANISOU 211 N LYS A 16 1404 1248 1036 -165 59 -120 N ATOM 212 CA LYS A 16 -2.215 -15.462 42.301 1.00 9.45 C ANISOU 212 CA LYS A 16 1368 1233 987 -121 26 -132 C ATOM 213 C LYS A 16 -3.309 -14.397 42.210 1.00 9.95 C ANISOU 213 C LYS A 16 1482 1246 1054 -91 22 -144 C ATOM 214 O LYS A 16 -4.427 -14.681 41.777 1.00 9.52 O ANISOU 214 O LYS A 16 1433 1194 989 -42 3 -131 O ATOM 215 CB LYS A 16 -2.030 -15.877 43.751 1.00 10.06 C ANISOU 215 CB LYS A 16 1393 1371 1058 -142 3 -151 C ATOM 216 CG LYS A 16 -1.022 -16.986 43.928 1.00 9.89 C ANISOU 216 CG LYS A 16 1311 1398 1047 -151 -3 -119 C ATOM 217 CD LYS A 16 -0.893 -17.425 45.377 1.00 12.13 C ANISOU 217 CD LYS A 16 1545 1755 1307 -167 -37 -112 C ATOM 218 CE LYS A 16 -0.317 -16.335 46.302 1.00 11.89 C ANISOU 218 CE LYS A 16 1506 1761 1249 -229 -53 -158 C ATOM 219 NZ LYS A 16 1.042 -15.893 45.912 1.00 12.10 N ANISOU 219 NZ LYS A 16 1499 1790 1310 -277 -47 -158 N ATOM 220 H LYS A 16 -0.295 -15.001 42.307 1.00 11.65 H ATOM 221 HA LYS A 16 -2.504 -16.239 41.797 1.00 11.33 H ATOM 222 HB2 LYS A 16 -1.723 -15.111 44.261 1.00 12.07 H ATOM 223 HB3 LYS A 16 -2.879 -16.188 44.101 1.00 12.07 H ATOM 224 HG2 LYS A 16 -1.299 -17.754 43.404 1.00 11.87 H ATOM 225 HG3 LYS A 16 -0.153 -16.675 43.629 1.00 11.87 H ATOM 226 HD2 LYS A 16 -1.772 -17.664 45.711 1.00 14.55 H ATOM 227 HD3 LYS A 16 -0.304 -18.194 45.421 1.00 14.55 H ATOM 228 HE2 LYS A 16 -0.901 -15.561 46.278 1.00 14.26 H ATOM 229 HE3 LYS A 16 -0.269 -16.684 47.206 1.00 14.26 H ATOM 230 HZ1 LYS A 16 1.330 -15.265 46.474 1.00 14.53 H ATOM 231 HZ2 LYS A 16 1.604 -16.582 45.935 1.00 14.53 H ATOM 232 HZ3 LYS A 16 1.028 -15.558 45.088 1.00 14.53 H ATOM 233 N SER A 17 -3.001 -13.183 42.650 1.00 9.26 N ANISOU 233 N SER A 17 1421 1107 989 -119 41 -173 N ATOM 234 CA SER A 17 -3.991 -12.131 42.637 1.00 9.72 C ANISOU 234 CA SER A 17 1525 1095 1074 -75 48 -185 C ATOM 235 C SER A 17 -4.349 -11.727 41.213 1.00 11.48 C ANISOU 235 C SER A 17 1798 1263 1302 -32 49 -115 C ATOM 236 O SER A 17 -5.513 -11.529 40.900 1.00 10.86 O ANISOU 236 O SER A 17 1726 1171 1229 38 28 -93 O ATOM 237 CB SER A 17 -3.500 -10.925 43.425 1.00 10.39 C ANISOU 237 CB SER A 17 1639 1113 1193 -124 77 -246 C ATOM 238 OG SER A 17 -3.315 -11.272 44.790 1.00 10.53 O ANISOU 238 OG SER A 17 1615 1206 1179 -163 67 -315 O ATOM 239 H SER A 17 -2.233 -12.950 42.958 1.00 11.11 H ATOM 240 HA SER A 17 -4.798 -12.456 43.065 1.00 11.67 H ATOM 241 HB2 SER A 17 -2.655 -10.626 43.055 1.00 12.46 H ATOM 242 HB3 SER A 17 -4.160 -10.216 43.364 1.00 12.46 H ATOM 243 N ALA A 18 -3.353 -11.580 40.360 1.00 10.49 N ANISOU 243 N ALA A 18 1701 1118 1168 -75 73 -74 N ATOM 244 CA ALA A 18 -3.621 -11.190 38.978 1.00 10.60 C ANISOU 244 CA ALA A 18 1771 1097 1159 -43 75 6 C ATOM 245 C ALA A 18 -4.498 -12.212 38.268 1.00 11.02 C ANISOU 245 C ALA A 18 1805 1229 1152 8 29 29 C ATOM 246 O ALA A 18 -5.398 -11.842 37.539 1.00 11.62 O ANISOU 246 O ALA A 18 1909 1297 1210 64 -3 82 O ATOM 247 CB ALA A 18 -2.336 -10.985 38.211 1.00 11.55 C ANISOU 247 CB ALA A 18 1918 1205 1266 -110 125 44 C ATOM 248 H ALA A 18 -2.521 -11.697 40.547 1.00 12.59 H ATOM 249 HA ALA A 18 -4.099 -10.346 38.982 1.00 12.72 H ATOM 250 HB1 ALA A 18 -2.550 -10.728 37.300 1.00 13.86 H ATOM 251 HB2 ALA A 18 -1.821 -10.285 38.641 1.00 13.86 H ATOM 252 HB3 ALA A 18 -1.833 -11.814 38.211 1.00 13.86 H ATOM 253 N LEU A 19 -4.262 -13.492 38.511 1.00 9.69 N ANISOU 253 N LEU A 19 1587 1135 960 -13 21 -11 N ATOM 254 CA LEU A 19 -5.081 -14.536 37.912 1.00 9.45 C ANISOU 254 CA LEU A 19 1539 1169 883 15 -19 -11 C ATOM 255 C LEU A 19 -6.505 -14.464 38.427 1.00 11.49 C ANISOU 255 C LEU A 19 1762 1441 1163 66 -67 -20 C ATOM 256 O LEU A 19 -7.463 -14.564 37.651 1.00 11.79 O ANISOU 256 O LEU A 19 1798 1513 1169 102 -115 8 O ATOM 257 CB LEU A 19 -4.506 -15.927 38.200 1.00 10.53 C ANISOU 257 CB LEU A 19 1633 1350 1017 -17 -6 -55 C ATOM 258 CG LEU A 19 -3.247 -16.262 37.412 1.00 9.54 C ANISOU 258 CG LEU A 19 1526 1231 867 -51 47 -51 C ATOM 259 CD1 LEU A 19 -2.591 -17.481 38.016 1.00 10.44 C ANISOU 259 CD1 LEU A 19 1585 1365 1017 -64 66 -87 C ATOM 260 CD2 LEU A 19 -3.591 -16.498 35.964 1.00 10.95 C ANISOU 260 CD2 LEU A 19 1757 1440 964 -44 42 -37 C ATOM 261 H LEU A 19 -3.633 -13.784 39.020 1.00 11.63 H ATOM 262 HA LEU A 19 -5.101 -14.411 36.950 1.00 11.34 H ATOM 263 HB2 LEU A 19 -4.287 -15.983 39.144 1.00 12.63 H ATOM 264 HB3 LEU A 19 -5.177 -16.592 37.981 1.00 12.63 H ATOM 265 HG LEU A 19 -2.625 -15.520 37.464 1.00 11.44 H ATOM 266 HD11 LEU A 19 -1.790 -17.691 37.511 1.00 12.53 H ATOM 267 HD12 LEU A 19 -2.360 -17.291 38.939 1.00 12.53 H ATOM 268 HD13 LEU A 19 -3.211 -18.226 37.976 1.00 12.53 H ATOM 269 HD21 LEU A 19 -2.779 -16.710 35.477 1.00 13.14 H ATOM 270 HD22 LEU A 19 -4.215 -17.238 35.904 1.00 13.14 H ATOM 271 HD23 LEU A 19 -3.994 -15.695 35.600 1.00 13.14 H ATOM 272 N THR A 20 -6.651 -14.326 39.741 1.00 10.04 N ANISOU 272 N THR A 20 1541 1247 1028 66 -55 -61 N ATOM 273 CA THR A 20 -7.970 -14.318 40.349 1.00 10.71 C ANISOU 273 CA THR A 20 1576 1355 1137 113 -80 -78 C ATOM 274 C THR A 20 -8.775 -13.111 39.874 1.00 10.79 C ANISOU 274 C THR A 20 1607 1317 1176 185 -95 -38 C ATOM 275 O THR A 20 -9.959 -13.242 39.512 1.00 12.19 O ANISOU 275 O THR A 20 1739 1537 1355 238 -140 -15 O ATOM 276 CB THR A 20 -7.859 -14.356 41.888 1.00 11.41 C ANISOU 276 CB THR A 20 1631 1454 1251 92 -49 -133 C ATOM 277 OG1 THR A 20 -7.133 -15.527 42.287 1.00 11.93 O ANISOU 277 OG1 THR A 20 1674 1566 1294 38 -45 -143 O ATOM 278 CG2 THR A 20 -9.236 -14.422 42.509 1.00 12.85 C ANISOU 278 CG2 THR A 20 1754 1675 1455 137 -55 -153 C ATOM 279 H THR A 20 -6.003 -14.236 40.298 1.00 12.05 H ATOM 280 HA THR A 20 -8.444 -15.116 40.069 1.00 12.85 H ATOM 281 HB THR A 20 -7.407 -13.560 42.208 1.00 13.69 H ATOM 282 HG1 THR A 20 -6.362 -15.514 41.956 1.00 14.32 H ATOM 283 HG21 THR A 20 -9.163 -14.446 43.476 1.00 15.43 H ATOM 284 HG22 THR A 20 -9.754 -13.643 42.251 1.00 15.43 H ATOM 285 HG23 THR A 20 -9.697 -15.221 42.208 1.00 15.43 H ATOM 286 N ILE A 21 -8.157 -11.936 39.880 1.00 11.00 N ANISOU 286 N ILE A 21 1693 1251 1234 188 -59 -24 N ATOM 287 CA ILE A 21 -8.851 -10.722 39.460 1.00 12.06 C ANISOU 287 CA ILE A 21 1857 1310 1417 268 -64 29 C ATOM 288 C ILE A 21 -9.203 -10.756 37.973 1.00 14.36 C ANISOU 288 C ILE A 21 2170 1631 1655 303 -120 129 C ATOM 289 O ILE A 21 -10.239 -10.228 37.574 1.00 13.36 O ANISOU 289 O ILE A 21 2024 1499 1554 390 -161 187 O ATOM 290 CB ILE A 21 -8.027 -9.480 39.839 1.00 13.14 C ANISOU 290 CB ILE A 21 2065 1316 1613 247 -3 16 C ATOM 291 CG1 ILE A 21 -7.924 -9.381 41.365 1.00 16.13 C ANISOU 291 CG1 ILE A 21 2417 1686 2027 218 40 -97 C ATOM 292 CG2 ILE A 21 -8.636 -8.206 39.264 1.00 15.53 C ANISOU 292 CG2 ILE A 21 2414 1506 1982 335 -1 92 C ATOM 293 CD1 ILE A 21 -6.877 -8.427 41.859 1.00 27.20 C ANISOU 293 CD1 ILE A 21 3882 2984 3470 152 94 -144 C ATOM 294 H ILE A 21 -7.340 -11.814 40.121 1.00 13.20 H ATOM 295 HA ILE A 21 -9.687 -10.669 39.949 1.00 14.48 H ATOM 296 HB ILE A 21 -7.133 -9.584 39.477 1.00 15.77 H ATOM 297 HG12 ILE A 21 -8.779 -9.085 41.714 1.00 19.36 H ATOM 298 HG13 ILE A 21 -7.712 -10.259 41.719 1.00 19.36 H ATOM 299 HG21 ILE A 21 -8.088 -7.449 39.524 1.00 18.64 H ATOM 300 HG22 ILE A 21 -8.663 -8.278 38.297 1.00 18.64 H ATOM 301 HG23 ILE A 21 -9.534 -8.101 39.613 1.00 18.64 H ATOM 302 HD11 ILE A 21 -6.882 -8.427 42.829 1.00 32.64 H ATOM 303 HD12 ILE A 21 -6.010 -8.713 41.532 1.00 32.64 H ATOM 304 HD13 ILE A 21 -7.078 -7.538 41.527 1.00 32.64 H ATOM 305 N GLN A 22 -8.373 -11.373 37.137 1.00 12.56 N ANISOU 305 N GLN A 22 1980 1447 1347 239 -122 149 N ATOM 306 CA GLN A 22 -8.775 -11.591 35.749 1.00 13.89 C ANISOU 306 CA GLN A 22 2168 1680 1430 259 -180 226 C ATOM 307 C GLN A 22 -10.061 -12.400 35.688 1.00 13.62 C ANISOU 307 C GLN A 22 2050 1750 1377 292 -257 206 C ATOM 308 O GLN A 22 -11.000 -12.043 34.964 1.00 15.48 O ANISOU 308 O GLN A 22 2267 2024 1589 356 -327 279 O ATOM 309 CB GLN A 22 -7.677 -12.304 34.975 1.00 14.78 C ANISOU 309 CB GLN A 22 2327 1837 1453 179 -151 219 C ATOM 310 CG GLN A 22 -6.730 -11.370 34.297 1.00 19.16 C ANISOU 310 CG GLN A 22 2968 2325 1988 156 -99 295 C ATOM 311 CD GLN A 22 -7.313 -10.636 33.088 1.00 15.84 C ANISOU 311 CD GLN A 22 2602 1914 1504 209 -146 422 C ATOM 312 OE1 GLN A 22 -8.535 -10.536 32.865 1.00 18.00 O ANISOU 312 OE1 GLN A 22 2840 2229 1771 285 -228 464 O ATOM 313 NE2 GLN A 22 -6.414 -10.084 32.312 1.00 16.01 N ANISOU 313 NE2 GLN A 22 2704 1902 1477 169 -93 497 N ATOM 314 H GLN A 22 -7.592 -11.669 37.340 1.00 15.08 H ATOM 315 HA GLN A 22 -8.936 -10.733 35.326 1.00 16.67 H ATOM 316 HB2 GLN A 22 -7.165 -12.853 35.590 1.00 17.74 H ATOM 317 HB3 GLN A 22 -8.084 -12.862 34.294 1.00 17.74 H ATOM 318 HG2 GLN A 22 -6.444 -10.700 34.938 1.00 23.00 H ATOM 319 HG3 GLN A 22 -5.961 -11.876 33.991 1.00 23.00 H ATOM 320 HE21 GLN A 22 -5.578 -10.154 32.505 1.00 19.21 H ATOM 321 HE22 GLN A 22 -6.658 -9.652 31.610 1.00 19.21 H ATOM 322 N LEU A 23 -10.113 -13.502 36.414 1.00 13.33 N ANISOU 322 N LEU A 23 1956 1761 1348 246 -249 119 N ATOM 323 CA LEU A 23 -11.311 -14.314 36.346 1.00 13.41 C ANISOU 323 CA LEU A 23 1881 1866 1349 255 -315 97 C ATOM 324 C LEU A 23 -12.537 -13.553 36.854 1.00 15.02 C ANISOU 324 C LEU A 23 2010 2067 1631 346 -341 123 C ATOM 325 O LEU A 23 -13.607 -13.643 36.264 1.00 15.60 O ANISOU 325 O LEU A 23 2019 2219 1690 385 -420 160 O ATOM 326 CB LEU A 23 -11.143 -15.589 37.163 1.00 12.89 C ANISOU 326 CB LEU A 23 1772 1827 1298 186 -287 11 C ATOM 327 CG LEU A 23 -12.257 -16.606 36.898 1.00 16.75 C ANISOU 327 CG LEU A 23 2182 2409 1772 161 -351 -17 C ATOM 328 CD1 LEU A 23 -12.018 -17.403 35.608 1.00 22.54 C ANISOU 328 CD1 LEU A 23 2959 3195 2409 104 -392 -33 C ATOM 329 CD2 LEU A 23 -12.407 -17.516 38.089 1.00 17.38 C ANISOU 329 CD2 LEU A 23 2204 2490 1909 117 -311 -75 C ATOM 330 H LEU A 23 -9.494 -13.793 36.935 1.00 16.00 H ATOM 331 HA LEU A 23 -11.472 -14.565 35.424 1.00 16.09 H ATOM 332 HB2 LEU A 23 -10.296 -16.003 36.932 1.00 15.46 H ATOM 333 HB3 LEU A 23 -11.157 -15.365 38.106 1.00 15.46 H ATOM 334 HG LEU A 23 -13.093 -16.125 36.792 1.00 20.10 H ATOM 335 HD11 LEU A 23 -12.748 -18.031 35.486 1.00 27.04 H ATOM 336 HD12 LEU A 23 -11.981 -16.788 34.859 1.00 27.04 H ATOM 337 HD13 LEU A 23 -11.178 -17.883 35.685 1.00 27.04 H ATOM 338 HD21 LEU A 23 -13.114 -18.155 37.911 1.00 20.85 H ATOM 339 HD22 LEU A 23 -11.569 -17.982 38.237 1.00 20.85 H ATOM 340 HD23 LEU A 23 -12.631 -16.982 38.867 1.00 20.85 H ATOM 341 N ILE A 24 -12.387 -12.843 37.968 1.00 14.03 N ANISOU 341 N ILE A 24 1883 1860 1588 377 -275 95 N ATOM 342 CA ILE A 24 -13.522 -12.204 38.602 1.00 17.94 C ANISOU 342 CA ILE A 24 2299 2348 2168 468 -273 96 C ATOM 343 C ILE A 24 -13.926 -10.901 37.912 1.00 19.65 C ANISOU 343 C ILE A 24 2541 2498 2427 577 -299 192 C ATOM 344 O ILE A 24 -15.114 -10.646 37.713 1.00 18.72 O ANISOU 344 O ILE A 24 2334 2425 2353 667 -350 235 O ATOM 345 CB ILE A 24 -13.228 -11.917 40.092 1.00 13.81 C ANISOU 345 CB ILE A 24 1775 1766 1705 458 -181 12 C ATOM 346 CG1 ILE A 24 -12.914 -13.210 40.852 1.00 16.01 C ANISOU 346 CG1 ILE A 24 2023 2116 1943 362 -161 -56 C ATOM 347 CG2 ILE A 24 -14.417 -11.199 40.728 1.00 20.94 C ANISOU 347 CG2 ILE A 24 2597 2659 2699 562 -158 -1 C ATOM 348 CD1 ILE A 24 -14.032 -14.228 40.868 1.00 16.80 C ANISOU 348 CD1 ILE A 24 2014 2325 2042 351 -201 -63 C ATOM 349 H ILE A 24 -11.639 -12.720 38.373 1.00 16.84 H ATOM 350 HA ILE A 24 -14.281 -12.806 38.561 1.00 21.53 H ATOM 351 HB ILE A 24 -12.454 -11.335 40.146 1.00 16.57 H ATOM 352 HG12 ILE A 24 -12.142 -13.630 40.441 1.00 19.21 H ATOM 353 HG13 ILE A 24 -12.710 -12.985 41.773 1.00 19.21 H ATOM 354 HG21 ILE A 24 -14.219 -11.027 41.661 1.00 25.12 H ATOM 355 HG22 ILE A 24 -14.566 -10.363 40.261 1.00 25.12 H ATOM 356 HG23 ILE A 24 -15.202 -11.764 40.655 1.00 25.12 H ATOM 357 HD11 ILE A 24 -13.742 -15.007 41.368 1.00 20.15 H ATOM 358 HD12 ILE A 24 -14.811 -13.834 41.290 1.00 20.15 H ATOM 359 HD13 ILE A 24 -14.242 -14.480 39.955 1.00 20.15 H ATOM 360 N GLN A 25 -12.945 -10.070 37.580 1.00 19.19 N ANISOU 360 N GLN A 25 2596 2329 2368 570 -262 233 N ATOM 361 CA GLN A 25 -13.213 -8.711 37.112 1.00 22.12 C ANISOU 361 CA GLN A 25 3009 2591 2804 675 -264 332 C ATOM 362 C GLN A 25 -12.797 -8.441 35.664 1.00 25.46 C ANISOU 362 C GLN A 25 3513 3019 3142 670 -317 462 C ATOM 363 O GLN A 25 -13.004 -7.337 35.160 1.00 22.95 O ANISOU 363 O GLN A 25 3239 2608 2872 757 -325 575 O ATOM 364 CB GLN A 25 -12.536 -7.708 38.039 1.00 22.25 C ANISOU 364 CB GLN A 25 3095 2443 2915 675 -161 277 C ATOM 365 CG GLN A 25 -13.038 -7.799 39.472 1.00 28.65 C ANISOU 365 CG GLN A 25 3835 3256 3796 691 -103 151 C ATOM 366 CD GLN A 25 -12.383 -6.810 40.416 1.00 30.90 C ANISOU 366 CD GLN A 25 4195 3388 4159 677 -4 71 C ATOM 367 OE1 GLN A 25 -12.743 -6.738 41.590 1.00 41.45 O ANISOU 367 OE1 GLN A 25 5490 4721 5537 690 54 -39 O ATOM 368 NE2 GLN A 25 -11.429 -6.040 39.915 1.00 32.95 N ANISOU 368 NE2 GLN A 25 4564 3523 4432 641 20 119 N ATOM 369 H GLN A 25 -12.109 -10.269 37.616 1.00 23.03 H ATOM 370 HA GLN A 25 -14.168 -8.555 37.168 1.00 26.54 H ATOM 371 HB2 GLN A 25 -11.581 -7.876 38.044 1.00 26.70 H ATOM 372 HB3 GLN A 25 -12.713 -6.810 37.717 1.00 26.70 H ATOM 373 HG2 GLN A 25 -13.993 -7.630 39.481 1.00 34.39 H ATOM 374 HG3 GLN A 25 -12.860 -8.692 39.809 1.00 34.39 H ATOM 375 HE21 GLN A 25 -11.206 -6.115 39.088 1.00 39.54 H ATOM 376 HE22 GLN A 25 -11.033 -5.465 40.417 1.00 39.54 H ATOM 377 N ASN A 26 -12.218 -9.434 34.996 1.00 19.54 N ANISOU 377 N ASN A 26 3090 2079 2254 479 -970 1 N ATOM 378 CA ASN A 26 -11.942 -9.317 33.562 1.00 20.63 C ANISOU 378 CA ASN A 26 3378 2130 2329 438 -1019 33 C ATOM 379 C ASN A 26 -10.988 -8.183 33.216 1.00 23.41 C ANISOU 379 C ASN A 26 3891 2435 2568 324 -1018 50 C ATOM 380 O ASN A 26 -11.104 -7.561 32.168 1.00 24.75 O ANISOU 380 O ASN A 26 4220 2496 2687 292 -1101 69 O ATOM 381 CB ASN A 26 -13.252 -9.179 32.779 1.00 19.84 C ANISOU 381 CB ASN A 26 3343 1900 2294 539 -1140 21 C ATOM 382 CG ASN A 26 -14.138 -10.401 32.920 1.00 27.81 C ANISOU 382 CG ASN A 26 4200 2961 3407 627 -1163 38 C ATOM 383 OD1 ASN A 26 -13.768 -11.497 32.504 1.00 27.29 O ANISOU 383 OD1 ASN A 26 4088 2945 3338 614 -1156 78 O ATOM 384 ND2 ASN A 26 -15.325 -10.212 33.489 1.00 36.27 N ANISOU 384 ND2 ASN A 26 5193 4028 4560 721 -1211 8 N ATOM 385 H ASN A 26 -11.976 -10.182 35.345 1.00 23.44 H ATOM 386 HA ASN A 26 -11.521 -10.141 33.270 1.00 24.75 H ATOM 387 HB2 ASN A 26 -13.742 -8.411 33.113 1.00 23.80 H ATOM 388 HB3 ASN A 26 -13.048 -9.061 31.838 1.00 23.80 H ATOM 389 HD21 ASN A 26 -15.864 -10.874 33.592 1.00 43.52 H ATOM 390 HD22 ASN A 26 -15.554 -9.427 33.755 1.00 43.52 H ATOM 391 N HIS A 27 -10.024 -7.923 34.085 1.00 20.35 N ANISOU 391 N HIS A 27 3467 2126 2139 247 -936 55 N ATOM 392 CA HIS A 27 -8.920 -7.053 33.707 1.00 26.27 C ANISOU 392 CA HIS A 27 4349 2865 2767 104 -933 103 C ATOM 393 C HIS A 27 -7.650 -7.454 34.435 1.00 20.24 C ANISOU 393 C HIS A 27 3487 2244 1958 16 -804 119 C ATOM 394 O HIS A 27 -7.693 -8.184 35.432 1.00 18.45 O ANISOU 394 O HIS A 27 3114 2090 1805 71 -731 79 O ATOM 395 CB HIS A 27 -9.253 -5.582 33.954 1.00 28.86 C ANISOU 395 CB HIS A 27 4832 3047 3087 98 -1059 95 C ATOM 396 CG HIS A 27 -9.623 -5.273 35.366 1.00 28.98 C ANISOU 396 CG HIS A 27 4770 3064 3178 194 -1057 34 C ATOM 397 ND1 HIS A 27 -8.708 -4.841 36.302 1.00 40.78 N ANISOU 397 ND1 HIS A 27 6258 4593 4643 132 -1011 50 N ATOM 398 CD2 HIS A 27 -10.816 -5.319 36.001 1.00 39.67 C ANISOU 398 CD2 HIS A 27 6043 4403 4626 355 -1100 -44 C ATOM 399 CE1 HIS A 27 -9.320 -4.646 37.455 1.00 31.52 C ANISOU 399 CE1 HIS A 27 5011 3422 3543 260 -1026 -20 C ATOM 400 NE2 HIS A 27 -10.601 -4.924 37.297 1.00 36.94 N ANISOU 400 NE2 HIS A 27 5642 4097 4297 395 -1076 -79 N ATOM 401 H HIS A 27 -9.984 -8.230 34.888 1.00 24.42 H ATOM 402 HA HIS A 27 -8.756 -7.159 32.757 1.00 31.52 H ATOM 403 HB2 HIS A 27 -8.478 -5.045 33.727 1.00 34.63 H ATOM 404 HB3 HIS A 27 -10.002 -5.333 33.391 1.00 34.63 H ATOM 405 HD1 HIS A 27 -7.868 -4.725 36.159 1.00 48.93 H ATOM 406 HD2 HIS A 27 -11.630 -5.573 35.629 1.00 47.61 H ATOM 407 HE1 HIS A 27 -8.919 -4.355 38.241 1.00 37.82 H ATOM 408 N PHE A 28 -6.528 -6.991 33.900 1.00 19.66 N ANISOU 408 N PHE A 28 3495 2219 1758 -130 -782 181 N ATOM 409 CA PHE A 28 -5.214 -7.268 34.451 1.00 19.33 C ANISOU 409 CA PHE A 28 3373 2316 1655 -227 -666 197 C ATOM 410 C PHE A 28 -4.872 -6.134 35.386 1.00 20.22 C ANISOU 410 C PHE A 28 3559 2349 1773 -285 -695 224 C ATOM 411 O PHE A 28 -4.767 -4.979 34.978 1.00 24.01 O ANISOU 411 O PHE A 28 4201 2735 2188 -373 -805 288 O ATOM 412 CB PHE A 28 -4.185 -7.360 33.322 1.00 20.06 C ANISOU 412 CB PHE A 28 3495 2541 1585 -356 -632 257 C ATOM 413 CG PHE A 28 -2.766 -7.596 33.783 1.00 19.93 C ANISOU 413 CG PHE A 28 3392 2693 1486 -462 -516 270 C ATOM 414 CD1 PHE A 28 -2.440 -8.658 34.600 1.00 18.80 C ANISOU 414 CD1 PHE A 28 3097 2641 1407 -396 -424 189 C ATOM 415 CD2 PHE A 28 -1.747 -6.763 33.361 1.00 24.23 C ANISOU 415 CD2 PHE A 28 4010 3311 1884 -641 -516 367 C ATOM 416 CE1 PHE A 28 -1.140 -8.873 34.997 1.00 18.71 C ANISOU 416 CE1 PHE A 28 3011 2777 1322 -487 -327 185 C ATOM 417 CE2 PHE A 28 -0.445 -6.988 33.749 1.00 21.03 C ANISOU 417 CE2 PHE A 28 3515 3077 1400 -739 -409 379 C ATOM 418 CZ PHE A 28 -0.145 -8.040 34.574 1.00 21.92 C ANISOU 418 CZ PHE A 28 3478 3265 1585 -652 -312 277 C ATOM 419 H PHE A 28 -6.504 -6.500 33.195 1.00 23.60 H ATOM 420 HA PHE A 28 -5.224 -8.101 34.947 1.00 23.19 H ATOM 421 HB2 PHE A 28 -4.430 -8.096 32.739 1.00 24.07 H ATOM 422 HB3 PHE A 28 -4.198 -6.529 32.822 1.00 24.07 H ATOM 423 HD1 PHE A 28 -3.110 -9.233 34.893 1.00 22.57 H ATOM 424 HD2 PHE A 28 -1.942 -6.048 32.799 1.00 29.07 H ATOM 425 HE1 PHE A 28 -0.939 -9.590 35.553 1.00 22.46 H ATOM 426 HE2 PHE A 28 0.229 -6.414 33.464 1.00 25.24 H ATOM 427 HZ PHE A 28 0.733 -8.186 34.844 1.00 26.30 H ATOM 428 N VAL A 29 -4.744 -6.483 36.654 1.00 18.78 N ANISOU 428 N VAL A 29 3267 2194 1673 -232 -622 175 N ATOM 429 CA VAL A 29 -4.338 -5.551 37.684 1.00 18.97 C ANISOU 429 CA VAL A 29 3346 2148 1712 -261 -644 191 C ATOM 430 C VAL A 29 -2.834 -5.696 37.880 1.00 24.14 C ANISOU 430 C VAL A 29 3968 2915 2290 -407 -541 239 C ATOM 431 O VAL A 29 -2.320 -6.756 38.264 1.00 32.34 O ANISOU 431 O VAL A 29 4865 4075 3349 -400 -417 190 O ATOM 432 CB VAL A 29 -5.108 -5.787 39.002 1.00 21.06 C ANISOU 432 CB VAL A 29 3511 2387 2105 -109 -626 108 C ATOM 433 CG1 VAL A 29 -4.573 -4.899 40.114 1.00 30.28 C ANISOU 433 CG1 VAL A 29 4733 3488 3284 -120 -648 118 C ATOM 434 CG2 VAL A 29 -6.561 -5.481 38.796 1.00 33.27 C ANISOU 434 CG2 VAL A 29 5087 3847 3707 31 -740 61 C ATOM 435 H VAL A 29 -4.891 -7.277 36.949 1.00 22.53 H ATOM 436 HA VAL A 29 -4.519 -4.646 37.385 1.00 22.76 H ATOM 437 HB VAL A 29 -5.020 -6.714 39.272 1.00 25.27 H ATOM 438 HG11 VAL A 29 -5.077 -5.072 40.925 1.00 36.34 H ATOM 439 HG12 VAL A 29 -3.636 -5.102 40.256 1.00 36.34 H ATOM 440 HG13 VAL A 29 -4.675 -3.970 39.852 1.00 36.34 H ATOM 441 HG21 VAL A 29 -7.036 -5.632 39.628 1.00 39.92 H ATOM 442 HG22 VAL A 29 -6.652 -4.553 38.526 1.00 39.92 H ATOM 443 HG23 VAL A 29 -6.911 -6.063 38.104 1.00 39.92 H ATOM 444 N ASP A 30 -2.158 -4.600 37.590 1.00 27.95 N ANISOU 444 N ASP A 30 4589 3351 2680 -544 -616 337 N ATOM 445 CA ASP A 30 -0.713 -4.477 37.641 1.00 35.35 C ANISOU 445 CA ASP A 30 5514 4397 3522 -712 -546 412 C ATOM 446 C ASP A 30 -0.161 -4.519 39.060 1.00 33.34 C ANISOU 446 C ASP A 30 5201 4117 3348 -688 -477 380 C ATOM 447 O ASP A 30 0.877 -5.133 39.330 1.00 40.54 O ANISOU 447 O ASP A 30 6013 5159 4232 -757 -351 371 O ATOM 448 CB ASP A 30 -0.347 -3.124 37.042 1.00 32.70 C ANISOU 448 CB ASP A 30 5365 3984 3076 -874 -698 550 C ATOM 449 CG ASP A 30 0.981 -3.145 36.344 1.00 39.68 C ANISOU 449 CG ASP A 30 6222 5058 3796 -1083 -632 657 C ATOM 450 OD1 ASP A 30 2.007 -2.897 37.013 1.00 48.68 O ANISOU 450 OD1 ASP A 30 7343 6238 4916 -1183 -591 711 O ATOM 451 OD2 ASP A 30 0.994 -3.418 35.127 1.00 45.72 O ANISOU 451 OD2 ASP A 30 6978 5946 4449 -1144 -622 687 O ATOM 452 H ASP A 30 -2.540 -3.870 37.345 1.00 33.54 H ATOM 453 HA ASP A 30 -0.298 -5.180 37.117 1.00 42.42 H ATOM 454 HB2 ASP A 30 -1.023 -2.871 36.394 1.00 39.24 H ATOM 455 HB3 ASP A 30 -0.303 -2.465 37.752 1.00 39.24 H ATOM 456 N GLU A 31 -0.868 -3.835 39.952 1.00 28.02 N ANISOU 456 N GLU A 31 4597 3279 2770 -578 -572 353 N ATOM 457 CA GLU A 31 -0.428 -3.608 41.320 1.00 27.66 C ANISOU 457 CA GLU A 31 4538 3174 2800 -543 -544 334 C ATOM 458 C GLU A 31 -1.616 -3.908 42.243 1.00 30.93 C ANISOU 458 C GLU A 31 4879 3533 3339 -334 -547 219 C ATOM 459 O GLU A 31 -2.626 -3.222 42.231 1.00 32.54 O ANISOU 459 O GLU A 31 5163 3636 3566 -221 -684 195 O ATOM 460 CB GLU A 31 0.076 -2.161 41.434 1.00 34.24 C ANISOU 460 CB GLU A 31 5561 3867 3582 -638 -712 449 C ATOM 461 CG GLU A 31 0.893 -1.782 42.677 1.00 31.04 C ANISOU 461 CG GLU A 31 5175 3391 3227 -647 -701 471 C ATOM 462 CD GLU A 31 2.004 -2.774 43.035 1.00 35.55 C ANISOU 462 CD GLU A 31 5597 4107 3802 -732 -494 452 C ATOM 463 OE1 GLU A 31 1.891 -3.483 44.068 1.00 34.65 O ANISOU 463 OE1 GLU A 31 5374 3998 3793 -621 -386 348 O ATOM 464 OE2 GLU A 31 3.006 -2.822 42.279 1.00 35.69 O ANISOU 464 OE2 GLU A 31 5606 4246 3707 -913 -451 540 O ATOM 465 H GLU A 31 -1.632 -3.480 39.780 1.00 33.62 H ATOM 466 HA GLU A 31 0.299 -4.213 41.537 1.00 33.20 H ATOM 467 HB2 GLU A 31 0.635 -1.977 40.662 1.00 41.09 H ATOM 468 HB3 GLU A 31 -0.695 -1.573 41.413 1.00 41.09 H ATOM 469 HG2 GLU A 31 1.307 -0.919 42.524 1.00 37.25 H ATOM 470 HG3 GLU A 31 0.292 -1.726 43.437 1.00 37.25 H ATOM 471 N TYR A 32 -1.499 -4.993 42.992 1.00 22.37 N ANISOU 471 N TYR A 32 3635 2538 2324 -288 -402 144 N ATOM 472 CA TYR A 32 -2.486 -5.391 43.995 1.00 15.95 C ANISOU 472 CA TYR A 32 2721 1723 1615 -122 -384 51 C ATOM 473 C TYR A 32 -1.648 -5.852 45.164 1.00 14.92 C ANISOU 473 C TYR A 32 2516 1616 1538 -148 -271 22 C ATOM 474 O TYR A 32 -0.791 -6.720 45.010 1.00 14.68 O ANISOU 474 O TYR A 32 2412 1672 1492 -249 -165 14 O ATOM 475 CB TYR A 32 -3.372 -6.520 43.471 1.00 15.53 C ANISOU 475 CB TYR A 32 2539 1773 1588 -68 -342 0 C ATOM 476 CG TYR A 32 -4.388 -7.037 44.454 1.00 15.05 C ANISOU 476 CG TYR A 32 2345 1756 1617 68 -322 -72 C ATOM 477 CD1 TYR A 32 -5.634 -6.449 44.587 1.00 27.55 C ANISOU 477 CD1 TYR A 32 3937 3311 3221 213 -420 -103 C ATOM 478 CD2 TYR A 32 -4.099 -8.116 45.251 1.00 14.00 C ANISOU 478 CD2 TYR A 32 2074 1709 1536 46 -217 -111 C ATOM 479 CE1 TYR A 32 -6.570 -6.941 45.492 1.00 24.25 C ANISOU 479 CE1 TYR A 32 3368 2985 2862 328 -394 -160 C ATOM 480 CE2 TYR A 32 -5.019 -8.632 46.133 1.00 13.73 C ANISOU 480 CE2 TYR A 32 1906 1745 1567 140 -204 -156 C ATOM 481 CZ TYR A 32 -6.249 -8.048 46.256 1.00 22.83 C ANISOU 481 CZ TYR A 32 3045 2904 2727 278 -283 -174 C ATOM 482 OH TYR A 32 -7.149 -8.577 47.162 1.00 28.79 O ANISOU 482 OH TYR A 32 3638 3776 3525 359 -262 -209 O ATOM 483 H TYR A 32 -0.834 -5.536 42.938 1.00 26.84 H ATOM 484 HA TYR A 32 -3.034 -4.635 44.259 1.00 19.14 H ATOM 485 HB2 TYR A 32 -3.854 -6.198 42.694 1.00 18.63 H ATOM 486 HB3 TYR A 32 -2.805 -7.265 43.217 1.00 18.63 H ATOM 487 HD1 TYR A 32 -5.851 -5.713 44.061 1.00 33.06 H ATOM 488 HD2 TYR A 32 -3.272 -8.532 45.166 1.00 16.80 H ATOM 489 HE1 TYR A 32 -7.408 -6.544 45.566 1.00 29.10 H ATOM 490 HE2 TYR A 32 -4.799 -9.368 46.657 1.00 16.48 H ATOM 491 HH TYR A 32 -7.861 -8.131 47.154 1.00 34.55 H ATOM 492 N ASP A 33 -1.854 -5.223 46.318 1.00 14.93 N ANISOU 492 N ASP A 33 2544 1534 1594 -47 -310 -3 N ATOM 493 CA ASP A 33 -1.000 -5.410 47.489 1.00 14.06 C ANISOU 493 CA ASP A 33 2404 1403 1537 -68 -225 -21 C ATOM 494 C ASP A 33 -0.718 -6.894 47.739 1.00 12.82 C ANISOU 494 C ASP A 33 2085 1367 1420 -123 -80 -83 C ATOM 495 O ASP A 33 -1.641 -7.690 47.928 1.00 12.50 O ANISOU 495 O ASP A 33 1921 1409 1418 -52 -59 -137 O ATOM 496 CB ASP A 33 -1.684 -4.784 48.702 1.00 14.26 C ANISOU 496 CB ASP A 33 2438 1362 1618 106 -288 -69 C ATOM 497 CG ASP A 33 -0.796 -4.690 49.927 1.00 13.54 C ANISOU 497 CG ASP A 33 2361 1203 1581 99 -232 -77 C ATOM 498 OD1 ASP A 33 -0.003 -5.599 50.195 1.00 12.46 O ANISOU 498 OD1 ASP A 33 2147 1112 1475 -7 -101 -94 O ATOM 499 OD2 ASP A 33 -0.940 -3.683 50.641 1.00 16.67 O ANISOU 499 OD2 ASP A 33 2854 1490 1990 219 -341 -77 O ATOM 500 H ASP A 33 -2.498 -4.670 46.451 1.00 17.92 H ATOM 501 HA ASP A 33 -0.154 -4.957 47.346 1.00 16.88 H ATOM 502 HB2 ASP A 33 -1.967 -3.885 48.471 1.00 17.11 H ATOM 503 HB3 ASP A 33 -2.456 -5.322 48.936 1.00 17.11 H ATOM 504 N PRO A 34 0.566 -7.287 47.758 1.00 12.23 N ANISOU 504 N PRO A 34 2009 1306 1332 -252 1 -75 N ATOM 505 CA PRO A 34 0.913 -8.703 47.945 1.00 11.17 C ANISOU 505 CA PRO A 34 1743 1273 1228 -301 98 -152 C ATOM 506 C PRO A 34 0.542 -9.273 49.282 1.00 11.39 C ANISOU 506 C PRO A 34 1683 1293 1353 -238 139 -221 C ATOM 507 O PRO A 34 0.563 -10.486 49.421 1.00 10.87 O ANISOU 507 O PRO A 34 1513 1304 1314 -275 174 -284 O ATOM 508 CB PRO A 34 2.436 -8.744 47.783 1.00 14.67 C ANISOU 508 CB PRO A 34 2220 1725 1627 -436 158 -140 C ATOM 509 CG PRO A 34 2.877 -7.381 47.917 1.00 21.77 C ANISOU 509 CG PRO A 34 3258 2509 2504 -460 106 -45 C ATOM 510 CD PRO A 34 1.753 -6.465 47.499 1.00 13.38 C ANISOU 510 CD PRO A 34 2275 1389 1421 -367 -15 7 C ATOM 511 HA PRO A 34 0.506 -9.240 47.248 1.00 13.40 H ATOM 512 HB2 PRO A 34 2.823 -9.299 48.479 1.00 17.60 H ATOM 513 HB3 PRO A 34 2.660 -9.091 46.905 1.00 17.60 H ATOM 514 HG2 PRO A 34 3.114 -7.215 48.843 1.00 26.12 H ATOM 515 HG3 PRO A 34 3.649 -7.241 47.347 1.00 26.12 H ATOM 516 HD2 PRO A 34 1.742 -5.666 48.049 1.00 16.06 H ATOM 517 HD3 PRO A 34 1.821 -6.251 46.555 1.00 16.06 H ATOM 518 N THR A 35 0.189 -8.419 50.230 1.00 10.95 N ANISOU 518 N THR A 35 1671 1151 1337 -142 112 -211 N ATOM 519 CA THR A 35 -0.127 -8.890 51.575 1.00 10.47 C ANISOU 519 CA THR A 35 1523 1101 1354 -84 157 -271 C ATOM 520 C THR A 35 -1.624 -9.080 51.835 1.00 12.23 C ANISOU 520 C THR A 35 1635 1428 1585 36 119 -289 C ATOM 521 O THR A 35 -1.993 -9.457 52.946 1.00 12.33 O ANISOU 521 O THR A 35 1556 1489 1641 79 153 -327 O ATOM 522 CB THR A 35 0.495 -8.006 52.663 1.00 10.30 C ANISOU 522 CB THR A 35 1595 944 1373 -39 160 -265 C ATOM 523 OG1 THR A 35 -0.172 -6.744 52.706 1.00 11.99 O ANISOU 523 OG1 THR A 35 1897 1098 1561 103 53 -230 O ATOM 524 CG2 THR A 35 1.981 -7.840 52.434 1.00 11.37 C ANISOU 524 CG2 THR A 35 1826 992 1502 -171 196 -235 C ATOM 525 H THR A 35 0.124 -7.568 50.126 1.00 13.14 H ATOM 526 HA THR A 35 0.278 -9.766 51.673 1.00 12.56 H ATOM 527 HB THR A 35 0.379 -8.445 53.520 1.00 12.36 H ATOM 528 HG1 THR A 35 -0.101 -6.356 51.964 1.00 14.39 H ATOM 529 HG21 THR A 35 2.362 -7.280 53.128 1.00 13.64 H ATOM 530 HG22 THR A 35 2.418 -8.706 52.453 1.00 13.64 H ATOM 531 HG23 THR A 35 2.139 -7.426 51.572 1.00 13.64 H ATOM 532 N ILE A 36 -2.458 -8.823 50.830 1.00 11.16 N ANISOU 532 N ILE A 36 1503 1335 1401 83 50 -260 N ATOM 533 CA ILE A 36 -3.901 -8.975 50.987 1.00 11.76 C ANISOU 533 CA ILE A 36 1465 1527 1477 197 10 -275 C ATOM 534 C ILE A 36 -4.360 -10.360 50.574 1.00 11.37 C ANISOU 534 C ILE A 36 1281 1599 1440 118 23 -274 C ATOM 535 O ILE A 36 -4.112 -10.796 49.448 1.00 11.29 O ANISOU 535 O ILE A 36 1301 1583 1405 45 2 -255 O ATOM 536 CB ILE A 36 -4.705 -7.902 50.213 1.00 13.01 C ANISOU 536 CB ILE A 36 1704 1653 1586 312 -99 -257 C ATOM 537 CG1 ILE A 36 -4.311 -6.508 50.694 1.00 14.75 C ANISOU 537 CG1 ILE A 36 2074 1737 1791 402 -169 -257 C ATOM 538 CG2 ILE A 36 -6.189 -8.161 50.374 1.00 13.69 C ANISOU 538 CG2 ILE A 36 1647 1885 1669 429 -134 -282 C ATOM 539 CD1 ILE A 36 -4.979 -5.381 49.951 1.00 22.85 C ANISOU 539 CD1 ILE A 36 3217 2699 2765 507 -320 -250 C ATOM 540 H ILE A 36 -2.214 -8.561 50.048 1.00 13.39 H ATOM 541 HA ILE A 36 -4.115 -8.870 51.928 1.00 14.11 H ATOM 542 HB ILE A 36 -4.482 -7.975 49.272 1.00 15.61 H ATOM 543 HG12 ILE A 36 -4.548 -6.424 51.631 1.00 17.69 H ATOM 544 HG13 ILE A 36 -3.352 -6.403 50.589 1.00 17.69 H ATOM 545 HG21 ILE A 36 -6.682 -7.484 49.885 1.00 16.43 H ATOM 546 HG22 ILE A 36 -6.396 -9.041 50.020 1.00 16.43 H ATOM 547 HG23 ILE A 36 -6.417 -8.121 51.316 1.00 16.43 H ATOM 548 HD11 ILE A 36 -4.674 -4.537 50.318 1.00 27.42 H ATOM 549 HD12 ILE A 36 -4.742 -5.439 49.012 1.00 27.42 H ATOM 550 HD13 ILE A 36 -5.940 -5.461 50.056 1.00 27.42 H ATOM 551 N GLU A 37 -5.054 -11.019 51.487 1.00 11.56 N ANISOU 551 N GLU A 37 1157 1741 1493 135 39 -289 N ATOM 552 CA GLU A 37 -5.722 -12.296 51.238 1.00 12.71 C ANISOU 552 CA GLU A 37 1168 2012 1651 64 6 -267 C ATOM 553 C GLU A 37 -7.222 -12.034 51.254 1.00 12.58 C ANISOU 553 C GLU A 37 1040 2130 1611 181 -43 -242 C ATOM 554 O GLU A 37 -7.731 -11.516 52.216 1.00 15.73 O ANISOU 554 O GLU A 37 1371 2610 1997 279 -23 -263 O ATOM 555 CB GLU A 37 -5.341 -13.297 52.334 1.00 12.55 C ANISOU 555 CB GLU A 37 1059 2038 1671 -42 39 -286 C ATOM 556 CG GLU A 37 -6.025 -14.644 52.231 1.00 12.87 C ANISOU 556 CG GLU A 37 966 2201 1722 -136 -38 -247 C ATOM 557 CD GLU A 37 -5.319 -15.684 53.043 1.00 11.43 C ANISOU 557 CD GLU A 37 782 1987 1575 -268 -44 -264 C ATOM 558 OE1 GLU A 37 -4.179 -16.049 52.690 1.00 11.93 O ANISOU 558 OE1 GLU A 37 965 1922 1646 -322 -44 -303 O ATOM 559 OE2 GLU A 37 -5.873 -16.079 54.098 1.00 14.40 O ANISOU 559 OE2 GLU A 37 1128 2394 1949 -271 -44 -208 O ATOM 560 H GLU A 37 -5.159 -10.737 52.292 1.00 13.87 H ATOM 561 HA GLU A 37 -5.465 -12.651 50.373 1.00 15.26 H ATOM 562 HB2 GLU A 37 -4.384 -13.451 52.293 1.00 15.06 H ATOM 563 HB3 GLU A 37 -5.572 -12.916 53.195 1.00 15.06 H ATOM 564 HG2 GLU A 37 -6.934 -14.567 52.561 1.00 15.44 H ATOM 565 HG3 GLU A 37 -6.026 -14.932 51.305 1.00 15.44 H ATOM 566 N ASP A 38 -7.926 -12.386 50.189 1.00 12.35 N ANISOU 566 N ASP A 38 2007 1342 1342 243 346 -10 N ATOM 567 CA ASP A 38 -9.358 -12.150 50.088 1.00 12.12 C ANISOU 567 CA ASP A 38 1802 1367 1434 282 226 -152 C ATOM 568 C ASP A 38 -9.979 -13.256 49.255 1.00 10.83 C ANISOU 568 C ASP A 38 1708 1233 1176 201 203 -89 C ATOM 569 O ASP A 38 -9.280 -14.013 48.572 1.00 11.99 O ANISOU 569 O ASP A 38 2021 1333 1200 140 241 30 O ATOM 570 CB ASP A 38 -9.617 -10.779 49.447 1.00 16.86 C ANISOU 570 CB ASP A 38 2382 1776 2249 413 -40 -166 C ATOM 571 CG ASP A 38 -10.973 -10.193 49.809 1.00 24.73 C ANISOU 571 CG ASP A 38 3076 2795 3527 525 -205 -464 C ATOM 572 OD1 ASP A 38 -11.744 -10.802 50.588 1.00 22.39 O ANISOU 572 OD1 ASP A 38 2561 2761 3187 465 -47 -691 O ATOM 573 OD2 ASP A 38 -11.265 -9.076 49.320 1.00 32.78 O ANISOU 573 OD2 ASP A 38 4049 3570 4834 646 -542 -496 O ATOM 574 H ASP A 38 -7.590 -12.771 49.497 1.00 14.82 H ATOM 575 HA ASP A 38 -9.757 -12.162 50.972 1.00 14.54 H ATOM 576 HB2 ASP A 38 -8.934 -10.159 49.747 1.00 20.23 H ATOM 577 HB3 ASP A 38 -9.579 -10.871 48.483 1.00 20.23 H ATOM 578 N SER A 39 -11.303 -13.344 49.321 1.00 12.19 N ANISOU 578 N SER A 39 1704 1502 1425 203 137 -235 N ATOM 579 CA SER A 39 -12.044 -14.337 48.558 1.00 12.78 C ANISOU 579 CA SER A 39 1824 1607 1427 132 100 -189 C ATOM 580 C SER A 39 -13.108 -13.675 47.721 1.00 12.11 C ANISOU 580 C SER A 39 1661 1439 1502 228 -121 -262 C ATOM 581 O SER A 39 -13.563 -12.577 48.039 1.00 14.64 O ANISOU 581 O SER A 39 1801 1703 2057 350 -269 -438 O ATOM 582 CB SER A 39 -12.665 -15.392 49.462 1.00 14.14 C ANISOU 582 CB SER A 39 1874 2000 1497 -41 209 -255 C ATOM 583 OG SER A 39 -13.606 -14.820 50.317 1.00 17.49 O ANISOU 583 OG SER A 39 2008 2651 1984 -65 231 -520 O ATOM 584 H SER A 39 -11.798 -12.835 49.806 1.00 14.62 H ATOM 585 HA SER A 39 -11.431 -14.788 47.956 1.00 15.34 H ATOM 586 HB2 SER A 39 -13.103 -16.060 48.912 1.00 16.96 H ATOM 587 HB3 SER A 39 -11.966 -15.804 49.993 1.00 16.96 H ATOM 588 HG SER A 39 -13.240 -14.238 50.799 1.00 20.98 H ATOM 589 N TYR A 40 -13.488 -14.351 46.645 1.00 13.60 N ANISOU 589 N TYR A 40 1964 1597 1607 173 -188 -155 N ATOM 590 CA TYR A 40 -14.427 -13.828 45.661 1.00 14.35 C ANISOU 590 CA TYR A 40 2038 1578 1836 219 -453 -152 C ATOM 591 C TYR A 40 -15.400 -14.922 45.261 1.00 15.86 C ANISOU 591 C TYR A 40 2194 1881 1950 154 -419 -189 C ATOM 592 O TYR A 40 -15.029 -16.078 45.224 1.00 16.00 O ANISOU 592 O TYR A 40 2305 1987 1788 52 -255 -122 O ATOM 593 CB TYR A 40 -13.669 -13.385 44.409 1.00 16.32 C ANISOU 593 CB TYR A 40 2532 1696 1975 124 -614 103 C ATOM 594 CG TYR A 40 -12.611 -12.363 44.689 1.00 17.92 C ANISOU 594 CG TYR A 40 2807 1794 2207 134 -665 192 C ATOM 595 CD1 TYR A 40 -11.320 -12.741 45.053 1.00 19.47 C ANISOU 595 CD1 TYR A 40 3100 2086 2210 80 -407 230 C ATOM 596 CD2 TYR A 40 -12.899 -11.017 44.577 1.00 19.76 C ANISOU 596 CD2 TYR A 40 3003 1796 2711 197 -1028 227 C ATOM 597 CE1 TYR A 40 -10.349 -11.795 45.319 1.00 22.31 C ANISOU 597 CE1 TYR A 40 3526 2367 2585 80 -444 310 C ATOM 598 CE2 TYR A 40 -11.936 -10.062 44.829 1.00 26.71 C ANISOU 598 CE2 TYR A 40 3958 2558 3633 190 -1115 329 C ATOM 599 CZ TYR A 40 -10.661 -10.459 45.203 1.00 25.07 C ANISOU 599 CZ TYR A 40 3856 2503 3166 125 -788 377 C ATOM 600 OH TYR A 40 -9.716 -9.502 45.446 1.00 35.88 O ANISOU 600 OH TYR A 40 5250 3820 4561 94 -817 439 O ATOM 601 H TYR A 40 -13.206 -15.142 46.457 1.00 16.32 H ATOM 602 HA TYR A 40 -14.918 -13.076 46.026 1.00 17.22 H ATOM 603 HB2 TYR A 40 -13.238 -14.159 44.013 1.00 19.59 H ATOM 604 HB3 TYR A 40 -14.298 -12.999 43.781 1.00 19.59 H ATOM 605 HD1 TYR A 40 -11.115 -13.644 45.135 1.00 23.36 H ATOM 606 HD2 TYR A 40 -13.755 -10.751 44.331 1.00 23.72 H ATOM 607 HE1 TYR A 40 -9.491 -12.058 45.563 1.00 26.78 H ATOM 608 HE2 TYR A 40 -12.142 -9.158 44.754 1.00 32.05 H ATOM 609 HH TYR A 40 -10.047 -8.738 45.338 1.00 43.05 H ATOM 610 N ARG A 41 -16.631 -14.555 44.922 1.00 15.98 N ANISOU 610 N ARG A 41 2066 1857 2151 220 -625 -311 N ATOM 611 CA ARG A 41 -17.606 -15.492 44.350 1.00 19.06 C ANISOU 611 CA ARG A 41 2439 2332 2472 158 -630 -325 C ATOM 612 C ARG A 41 -17.818 -15.231 42.845 1.00 18.49 C ANISOU 612 C ARG A 41 2533 2093 2398 117 -895 -132 C ATOM 613 O ARG A 41 -17.777 -14.090 42.385 1.00 22.30 O ANISOU 613 O ARG A 41 3054 2369 3051 145 -1203 -45 O ATOM 614 CB ARG A 41 -18.953 -15.416 45.088 1.00 20.76 C ANISOU 614 CB ARG A 41 2324 2700 2864 213 -651 -656 C ATOM 615 CG ARG A 41 -19.159 -16.508 46.151 1.00 22.70 C ANISOU 615 CG ARG A 41 2458 3272 2896 36 -370 -754 C ATOM 616 CD ARG A 41 -18.116 -16.414 47.251 1.00 20.54 C ANISOU 616 CD ARG A 41 2196 3091 2517 -37 -188 -729 C ATOM 617 NE ARG A 41 -18.072 -15.065 47.809 1.00 23.57 N ANISOU 617 NE ARG A 41 2370 3453 3132 115 -257 -977 N ATOM 618 CZ ARG A 41 -17.132 -14.623 48.637 1.00 23.75 C ANISOU 618 CZ ARG A 41 2394 3505 3125 108 -143 -977 C ATOM 619 NH1 ARG A 41 -16.144 -15.425 49.011 1.00 21.19 N ANISOU 619 NH1 ARG A 41 2278 3216 2556 -48 28 -727 N ATOM 620 NH2 ARG A 41 -17.184 -13.374 49.087 1.00 25.71 N ANISOU 620 NH2 ARG A 41 2416 3714 3641 268 -246 -1254 N ATOM 621 H ARG A 41 -16.935 -13.756 45.014 1.00 19.18 H ATOM 622 HA ARG A 41 -17.265 -16.395 44.449 1.00 22.88 H ATOM 623 HB2 ARG A 41 -19.015 -14.557 45.533 1.00 24.91 H ATOM 624 HB3 ARG A 41 -19.668 -15.500 44.438 1.00 24.91 H ATOM 625 HG2 ARG A 41 -20.035 -16.402 46.553 1.00 27.24 H ATOM 626 HG3 ARG A 41 -19.084 -17.380 45.734 1.00 27.24 H ATOM 627 HD2 ARG A 41 -18.341 -17.033 47.963 1.00 24.65 H ATOM 628 HD3 ARG A 41 -17.242 -16.623 46.885 1.00 24.65 H ATOM 629 HE ARG A 41 -18.698 -14.519 47.585 1.00 28.28 H ATOM 630 HH11 ARG A 41 -16.112 -16.233 48.719 1.00 25.43 H ATOM 631 HH12 ARG A 41 -15.536 -15.138 49.548 1.00 25.43 H ATOM 632 HH21 ARG A 41 -17.825 -12.856 48.843 1.00 30.86 H ATOM 633 HH22 ARG A 41 -16.577 -13.085 49.624 1.00 30.86 H ATOM 634 N LYS A 42 -18.004 -16.300 42.083 1.00 17.73 N ANISOU 634 N LYS A 42 2541 2090 2106 3 -815 -49 N ATOM 635 CA LYS A 42 -18.380 -16.176 40.684 1.00 22.41 C ANISOU 635 CA LYS A 42 3259 2614 2641 -105 -1050 110 C ATOM 636 C LYS A 42 -19.224 -17.366 40.305 1.00 18.10 C ANISOU 636 C LYS A 42 2674 2190 2012 -142 -962 44 C ATOM 637 O LYS A 42 -18.866 -18.500 40.604 1.00 18.12 O ANISOU 637 O LYS A 42 2687 2318 1881 -179 -722 -8 O ATOM 638 CB LYS A 42 -17.137 -16.149 39.812 1.00 21.91 C ANISOU 638 CB LYS A 42 3412 2616 2296 -312 -1016 305 C ATOM 639 CG LYS A 42 -17.423 -15.958 38.339 1.00 24.56 C ANISOU 639 CG LYS A 42 3882 2979 2470 -556 -1268 499 C ATOM 640 CD LYS A 42 -16.140 -15.909 37.557 1.00 24.56 C ANISOU 640 CD LYS A 42 3994 3170 2170 -828 -1131 589 C ATOM 641 CE LYS A 42 -16.375 -15.660 36.086 1.00 27.06 C ANISOU 641 CE LYS A 42 4351 3558 2372 -1132 -1256 737 C ATOM 642 NZ LYS A 42 -16.941 -14.299 35.866 1.00 36.92 N ANISOU 642 NZ LYS A 42 5656 4499 3875 -1194 -1651 959 N ATOM 643 H LYS A 42 -17.918 -17.112 42.353 1.00 21.28 H ATOM 644 HA LYS A 42 -18.889 -15.362 40.542 1.00 26.89 H ATOM 645 HB2 LYS A 42 -16.569 -15.418 40.101 1.00 26.29 H ATOM 646 HB3 LYS A 42 -16.666 -16.991 39.916 1.00 26.29 H ATOM 647 HG2 LYS A 42 -17.953 -16.702 38.013 1.00 29.47 H ATOM 648 HG3 LYS A 42 -17.896 -15.121 38.207 1.00 29.47 H ATOM 649 HD2 LYS A 42 -15.586 -15.189 37.900 1.00 29.48 H ATOM 650 HD3 LYS A 42 -15.679 -16.757 37.649 1.00 29.48 H ATOM 651 HE2 LYS A 42 -15.532 -15.722 35.610 1.00 32.47 H ATOM 652 HE3 LYS A 42 -17.005 -16.313 35.745 1.00 32.47 H ATOM 653 HZ1 LYS A 42 -17.076 -14.163 34.997 1.00 44.31 H ATOM 654 HZ2 LYS A 42 -17.717 -14.220 36.295 1.00 44.31 H ATOM 655 HZ3 LYS A 42 -16.377 -13.682 36.172 1.00 44.31 H ATOM 656 N GLN A 43 -20.343 -17.106 39.629 1.00 20.18 N ANISOU 656 N GLN A 43 2895 2375 2398 -136 -1216 51 N ATOM 657 CA GLN A 43 -21.194 -18.185 39.138 1.00 28.98 C ANISOU 657 CA GLN A 43 3983 3600 3428 -182 -1157 5 C ATOM 658 C GLN A 43 -20.852 -18.489 37.692 1.00 27.08 C ANISOU 658 C GLN A 43 3934 3415 2939 -396 -1230 190 C ATOM 659 O GLN A 43 -20.709 -17.579 36.886 1.00 32.97 O ANISOU 659 O GLN A 43 4796 4076 3655 -537 -1506 384 O ATOM 660 CB GLN A 43 -22.677 -17.820 39.267 1.00 30.28 C ANISOU 660 CB GLN A 43 3944 3691 3869 -61 -1373 -158 C ATOM 661 H GLN A 43 -20.629 -16.317 39.442 1.00 24.22 H ATOM 662 HA GLN A 43 -21.032 -18.985 39.663 1.00 34.78 H ATOM 663 N VAL A 44 -20.714 -19.770 37.366 1.00 21.42 N ANISOU 663 N VAL A 44 3233 2861 2046 -466 -1021 119 N ATOM 664 CA VAL A 44 -20.426 -20.187 36.000 1.00 26.36 C ANISOU 664 CA VAL A 44 3961 3645 2411 -698 -1041 176 C ATOM 665 C VAL A 44 -21.107 -21.524 35.719 1.00 23.54 C ANISOU 665 C VAL A 44 3530 3371 2042 -679 -942 34 C ATOM 666 O VAL A 44 -21.437 -22.262 36.639 1.00 23.62 O ANISOU 666 O VAL A 44 3448 3329 2198 -535 -833 -75 O ATOM 667 CB VAL A 44 -18.902 -20.310 35.768 1.00 32.50 C ANISOU 667 CB VAL A 44 4791 4592 2965 -845 -862 120 C ATOM 668 CG1 VAL A 44 -18.580 -20.361 34.277 1.00 38.68 C ANISOU 668 CG1 VAL A 44 5580 5596 3521 -1121 -836 141 C ATOM 669 CG2 VAL A 44 -18.176 -19.122 36.385 1.00 33.71 C ANISOU 669 CG2 VAL A 44 5006 4636 3167 -818 -918 247 C ATOM 670 H VAL A 44 -20.784 -20.422 37.923 1.00 25.71 H ATOM 671 HA VAL A 44 -20.778 -19.528 35.381 1.00 31.64 H ATOM 672 HB VAL A 44 -18.574 -21.123 36.184 1.00 39.00 H ATOM 673 HG11 VAL A 44 -17.620 -20.438 34.164 1.00 46.42 H ATOM 674 HG12 VAL A 44 -19.023 -21.130 33.885 1.00 46.42 H ATOM 675 HG13 VAL A 44 -18.899 -19.547 33.857 1.00 46.42 H ATOM 676 HG21 VAL A 44 -17.224 -19.219 36.229 1.00 40.46 H ATOM 677 HG22 VAL A 44 -18.499 -18.306 35.972 1.00 40.46 H ATOM 678 HG23 VAL A 44 -18.355 -19.103 37.338 1.00 40.46 H ATOM 679 N VAL A 45 -21.335 -21.830 34.450 1.00 22.14 N ANISOU 679 N VAL A 45 3395 3345 1673 -877 -1010 52 N ATOM 680 CA VAL A 45 -21.906 -23.116 34.081 1.00 24.93 C ANISOU 680 CA VAL A 45 3671 3777 2026 -865 -932 -107 C ATOM 681 C VAL A 45 -20.800 -23.916 33.437 1.00 23.16 C ANISOU 681 C VAL A 45 3386 3766 1647 -990 -754 -339 C ATOM 682 O VAL A 45 -20.126 -23.436 32.521 1.00 28.38 O ANISOU 682 O VAL A 45 4046 4596 2142 -1172 -694 -312 O ATOM 683 CB VAL A 45 -23.053 -22.945 33.073 1.00 25.86 C ANISOU 683 CB VAL A 45 3815 3915 2096 -969 -1119 13 C ATOM 684 CG1 VAL A 45 -23.647 -24.304 32.658 1.00 31.63 C ANISOU 684 CG1 VAL A 45 4466 4737 2814 -965 -1045 -161 C ATOM 685 CG2 VAL A 45 -24.134 -22.054 33.651 1.00 26.65 C ANISOU 685 CG2 VAL A 45 3906 3787 2433 -824 -1361 144 C ATOM 686 H VAL A 45 -21.169 -21.311 33.784 1.00 26.57 H ATOM 687 HA VAL A 45 -22.231 -23.583 34.867 1.00 29.92 H ATOM 688 HB VAL A 45 -22.708 -22.515 32.275 1.00 31.03 H ATOM 689 HG11 VAL A 45 -24.365 -24.154 32.024 1.00 37.95 H ATOM 690 HG12 VAL A 45 -22.950 -24.840 32.249 1.00 37.95 H ATOM 691 HG13 VAL A 45 -23.990 -24.752 33.447 1.00 37.95 H ATOM 692 HG21 VAL A 45 -24.847 -21.959 32.999 1.00 31.98 H ATOM 693 HG22 VAL A 45 -24.478 -22.461 34.461 1.00 31.98 H ATOM 694 HG23 VAL A 45 -23.753 -21.185 33.852 1.00 31.98 H ATOM 695 N ILE A 46 -20.591 -25.122 33.938 1.00 22.82 N ANISOU 695 N ILE A 46 3240 3666 1766 -865 -668 -573 N ATOM 696 CA ILE A 46 -19.553 -25.984 33.409 1.00 26.84 C ANISOU 696 CA ILE A 46 3604 4306 2287 -902 -551 -907 C ATOM 697 C ILE A 46 -20.174 -27.335 33.097 1.00 25.48 C ANISOU 697 C ILE A 46 3319 4082 2282 -841 -611 -1106 C ATOM 698 O ILE A 46 -20.772 -27.968 33.971 1.00 27.64 O ANISOU 698 O ILE A 46 3601 4123 2778 -717 -722 -1054 O ATOM 699 CB ILE A 46 -18.380 -26.104 34.414 1.00 24.93 C ANISOU 699 CB ILE A 46 3320 3941 2212 -788 -497 -1046 C ATOM 700 CG1 ILE A 46 -17.765 -24.713 34.671 1.00 29.20 C ANISOU 700 CG1 ILE A 46 3978 4538 2578 -853 -437 -835 C ATOM 701 CG2 ILE A 46 -17.331 -27.090 33.892 1.00 33.94 C ANISOU 701 CG2 ILE A 46 4249 5128 3520 -744 -419 -1412 C ATOM 702 CD1 ILE A 46 -16.699 -24.660 35.756 1.00 30.98 C ANISOU 702 CD1 ILE A 46 4189 4623 2959 -730 -379 -908 C ATOM 703 H ILE A 46 -21.039 -25.465 34.587 1.00 27.38 H ATOM 704 HA ILE A 46 -19.211 -25.606 32.584 1.00 32.21 H ATOM 705 HB ILE A 46 -18.729 -26.444 35.252 1.00 29.92 H ATOM 706 HG12 ILE A 46 -17.358 -24.401 33.848 1.00 35.04 H ATOM 707 HG13 ILE A 46 -18.475 -24.107 34.932 1.00 35.04 H ATOM 708 HG21 ILE A 46 -16.607 -27.150 34.535 1.00 40.73 H ATOM 709 HG22 ILE A 46 -17.745 -27.960 33.778 1.00 40.73 H ATOM 710 HG23 ILE A 46 -16.993 -26.770 33.041 1.00 40.73 H ATOM 711 HD11 ILE A 46 -16.379 -23.748 35.839 1.00 37.18 H ATOM 712 HD12 ILE A 46 -17.088 -24.952 36.595 1.00 37.18 H ATOM 713 HD13 ILE A 46 -15.967 -25.247 35.508 1.00 37.18 H ATOM 714 N ASP A 47 -20.064 -27.742 31.834 1.00 31.32 N ANISOU 714 N ASP A 47 4051 4872 2977 -327 -990 -800 N ATOM 715 CA ASP A 47 -20.564 -29.033 31.387 1.00 33.12 C ANISOU 715 CA ASP A 47 4341 5014 3230 -398 -1115 -904 C ATOM 716 C ASP A 47 -22.036 -29.163 31.715 1.00 30.91 C ANISOU 716 C ASP A 47 3975 4708 3059 -499 -1247 -831 C ATOM 717 O ASP A 47 -22.513 -30.223 32.114 1.00 37.37 O ANISOU 717 O ASP A 47 4795 5429 3977 -602 -1331 -863 O ATOM 718 CB ASP A 47 -19.760 -30.169 32.015 1.00 35.56 C ANISOU 718 CB ASP A 47 4703 5192 3614 -397 -1084 -1011 C ATOM 719 CG ASP A 47 -18.294 -30.116 31.636 1.00 37.74 C ANISOU 719 CG ASP A 47 5048 5497 3795 -280 -958 -1088 C ATOM 720 OD1 ASP A 47 -17.986 -29.587 30.542 1.00 44.57 O ANISOU 720 OD1 ASP A 47 5946 6477 4511 -230 -924 -1094 O ATOM 721 OD2 ASP A 47 -17.454 -30.604 32.426 1.00 39.68 O ANISOU 721 OD2 ASP A 47 5304 5655 4117 -241 -894 -1133 O ATOM 722 H ASP A 47 -19.697 -27.278 31.209 1.00 37.58 H ATOM 723 HA ASP A 47 -20.466 -29.093 30.423 1.00 39.75 H ATOM 724 HB2 ASP A 47 -19.824 -30.106 32.981 1.00 42.67 H ATOM 725 HB3 ASP A 47 -20.119 -31.018 31.712 1.00 42.67 H ATOM 726 N GLY A 48 -22.749 -28.058 31.551 1.00 30.06 N ANISOU 726 N GLY A 48 3782 4702 2936 -475 -1255 -721 N ATOM 727 CA GLY A 48 -24.186 -28.044 31.708 1.00 30.13 C ANISOU 727 CA GLY A 48 3681 4719 3048 -533 -1369 -657 C ATOM 728 C GLY A 48 -24.658 -27.825 33.130 1.00 29.22 C ANISOU 728 C GLY A 48 3422 4595 3086 -559 -1315 -564 C ATOM 729 O GLY A 48 -25.857 -27.717 33.361 1.00 30.14 O ANISOU 729 O GLY A 48 3415 4748 3289 -599 -1368 -496 O ATOM 730 H GLY A 48 -22.414 -27.293 31.346 1.00 36.07 H ATOM 731 HA2 GLY A 48 -24.557 -27.338 31.155 1.00 36.16 H ATOM 732 HA3 GLY A 48 -24.546 -28.890 31.398 1.00 36.16 H ATOM 733 N GLU A 49 -23.739 -27.749 34.088 1.00 25.32 N ANISOU 733 N GLU A 49 2936 4067 2618 -537 -1198 -554 N ATOM 734 CA GLU A 49 -24.140 -27.608 35.482 1.00 22.81 C ANISOU 734 CA GLU A 49 2494 3742 2431 -572 -1141 -458 C ATOM 735 C GLU A 49 -23.634 -26.307 36.120 1.00 25.73 C ANISOU 735 C GLU A 49 2822 4188 2767 -489 -1007 -365 C ATOM 736 O GLU A 49 -22.454 -25.956 36.028 1.00 22.41 O ANISOU 736 O GLU A 49 2482 3769 2265 -424 -925 -403 O ATOM 737 CB GLU A 49 -23.722 -28.860 36.254 1.00 30.60 C ANISOU 737 CB GLU A 49 3512 4596 3518 -641 -1152 -522 C ATOM 738 CG GLU A 49 -24.400 -30.101 35.659 1.00 36.68 C ANISOU 738 CG GLU A 49 4297 5297 4343 -716 -1288 -619 C ATOM 739 CD GLU A 49 -24.830 -31.147 36.683 1.00 41.80 C ANISOU 739 CD GLU A 49 4890 5851 5142 -833 -1296 -583 C ATOM 740 OE1 GLU A 49 -25.931 -31.021 37.296 1.00 34.79 O ANISOU 740 OE1 GLU A 49 3871 5003 4343 -897 -1299 -457 O ATOM 741 OE2 GLU A 49 -24.069 -32.118 36.833 1.00 35.05 O ANISOU 741 OE2 GLU A 49 4133 4874 4310 -858 -1298 -669 O ATOM 742 H GLU A 49 -22.889 -27.777 33.959 1.00 30.39 H ATOM 743 HA GLU A 49 -25.109 -27.573 35.510 1.00 27.37 H ATOM 744 HB2 GLU A 49 -22.761 -28.974 36.192 1.00 36.72 H ATOM 745 HB3 GLU A 49 -23.995 -28.775 37.182 1.00 36.72 H ATOM 746 HG2 GLU A 49 -25.193 -29.819 35.177 1.00 44.02 H ATOM 747 HG3 GLU A 49 -23.781 -30.528 35.047 1.00 44.02 H ATOM 748 N THR A 50 -24.551 -25.592 36.764 1.00 29.14 N ANISOU 748 N THR A 50 3125 4680 3266 -480 -987 -248 N ATOM 749 CA THR A 50 -24.271 -24.278 37.344 1.00 27.91 C ANISOU 749 CA THR A 50 2927 4584 3092 -386 -886 -162 C ATOM 750 C THR A 50 -23.498 -24.389 38.663 1.00 30.26 C ANISOU 750 C THR A 50 3216 4836 3445 -378 -781 -152 C ATOM 751 O THR A 50 -23.905 -25.104 39.583 1.00 35.47 O ANISOU 751 O THR A 50 3810 5459 4206 -445 -774 -128 O ATOM 752 CB THR A 50 -25.587 -23.487 37.544 1.00 31.16 C ANISOU 752 CB THR A 50 3210 5068 3562 -354 -906 -60 C ATOM 753 OG1 THR A 50 -26.314 -23.457 36.310 1.00 37.41 O ANISOU 753 OG1 THR A 50 4012 5894 4310 -366 -1014 -72 O ATOM 754 CG2 THR A 50 -25.317 -22.061 37.985 1.00 33.56 C ANISOU 754 CG2 THR A 50 3494 5409 3847 -235 -826 12 C ATOM 755 H THR A 50 -25.362 -25.851 36.882 1.00 34.97 H ATOM 756 HA THR A 50 -23.720 -23.777 36.722 1.00 33.49 H ATOM 757 HB THR A 50 -26.125 -23.922 38.224 1.00 37.39 H ATOM 758 HG1 THR A 50 -27.030 -23.030 36.409 1.00 44.90 H ATOM 759 HG21 THR A 50 -26.155 -21.587 38.104 1.00 40.27 H ATOM 760 HG22 THR A 50 -24.833 -22.060 38.826 1.00 40.27 H ATOM 761 HG23 THR A 50 -24.787 -21.601 37.315 1.00 40.27 H ATOM 762 N CYS A 51 -22.378 -23.673 38.737 1.00 19.88 N ANISOU 762 N CYS A 51 1984 3494 2076 -292 -686 -156 N ATOM 763 CA CYS A 51 -21.454 -23.743 39.876 1.00 21.66 C ANISOU 763 CA CYS A 51 2242 3634 2355 -264 -573 -154 C ATOM 764 C CYS A 51 -21.310 -22.344 40.456 1.00 20.13 C ANISOU 764 C CYS A 51 2022 3467 2160 -166 -496 -74 C ATOM 765 O CYS A 51 -21.303 -21.378 39.704 1.00 29.66 O ANISOU 765 O CYS A 51 3249 4721 3298 -113 -518 -44 O ATOM 766 CB CYS A 51 -20.062 -24.301 39.437 1.00 18.64 C ANISOU 766 CB CYS A 51 1987 3181 1915 -255 -539 -251 C ATOM 767 SG CYS A 51 -20.149 -25.849 38.593 1.00 26.70 S ANISOU 767 SG CYS A 51 3066 4154 2924 -337 -648 -378 S ATOM 768 H CYS A 51 -22.123 -23.124 38.125 1.00 23.86 H ATOM 769 HA CYS A 51 -21.821 -24.326 40.558 1.00 26.00 H ATOM 770 HB2 CYS A 51 -19.642 -23.662 38.841 1.00 22.37 H ATOM 771 HB3 CYS A 51 -19.512 -24.425 40.227 1.00 22.37 H ATOM 772 HG CYS A 51 -19.039 -26.196 38.298 1.00 32.04 H ATOM 773 N LEU A 52 -21.242 -22.237 41.786 1.00 14.37 N ANISOU 773 N LEU A 52 1251 2704 1504 -145 -418 -38 N ATOM 774 CA LEU A 52 -20.838 -20.997 42.458 1.00 14.90 C ANISOU 774 CA LEU A 52 1326 2762 1571 -46 -345 9 C ATOM 775 C LEU A 52 -19.430 -21.216 42.979 1.00 14.22 C ANISOU 775 C LEU A 52 1333 2587 1484 -41 -267 -26 C ATOM 776 O LEU A 52 -19.218 -22.042 43.848 1.00 14.42 O ANISOU 776 O LEU A 52 1352 2567 1561 -80 -232 -40 O ATOM 777 CB LEU A 52 -21.804 -20.652 43.612 1.00 14.98 C ANISOU 777 CB LEU A 52 1220 2824 1649 -9 -315 62 C ATOM 778 CG LEU A 52 -21.507 -19.358 44.361 1.00 15.42 C ANISOU 778 CG LEU A 52 1288 2863 1707 109 -256 89 C ATOM 779 CD1 LEU A 52 -21.607 -18.147 43.462 1.00 17.10 C ANISOU 779 CD1 LEU A 52 1532 3084 1882 184 -312 116 C ATOM 780 CD2 LEU A 52 -22.425 -19.218 45.553 1.00 16.94 C ANISOU 780 CD2 LEU A 52 1361 3128 1949 152 -215 118 C ATOM 781 H LEU A 52 -21.429 -22.878 42.328 1.00 17.24 H ATOM 782 HA LEU A 52 -20.830 -20.264 41.823 1.00 17.88 H ATOM 783 HB2 LEU A 52 -22.700 -20.577 43.248 1.00 17.98 H ATOM 784 HB3 LEU A 52 -21.777 -21.374 44.259 1.00 17.98 H ATOM 785 HG LEU A 52 -20.597 -19.398 44.697 1.00 18.50 H ATOM 786 HD11 LEU A 52 -21.411 -17.352 43.982 1.00 20.52 H ATOM 787 HD12 LEU A 52 -20.967 -18.237 42.739 1.00 20.52 H ATOM 788 HD13 LEU A 52 -22.507 -18.095 43.103 1.00 20.52 H ATOM 789 HD21 LEU A 52 -22.219 -18.390 46.014 1.00 20.33 H ATOM 790 HD22 LEU A 52 -23.344 -19.205 45.243 1.00 20.33 H ATOM 791 HD23 LEU A 52 -22.287 -19.971 46.148 1.00 20.33 H ATOM 792 N LEU A 53 -18.459 -20.503 42.432 1.00 12.98 N ANISOU 792 N LEU A 53 1257 2410 1266 -1 -247 -28 N ATOM 793 CA LEU A 53 -17.087 -20.677 42.859 1.00 12.71 C ANISOU 793 CA LEU A 53 1293 2307 1230 3 -178 -57 C ATOM 794 C LEU A 53 -16.763 -19.685 43.960 1.00 12.50 C ANISOU 794 C LEU A 53 1266 2242 1240 64 -124 -10 C ATOM 795 O LEU A 53 -16.989 -18.493 43.819 1.00 15.37 O ANISOU 795 O LEU A 53 1633 2617 1592 119 -142 38 O ATOM 796 CB LEU A 53 -16.157 -20.435 41.683 1.00 14.38 C ANISOU 796 CB LEU A 53 1575 2541 1348 3 -180 -76 C ATOM 797 CG LEU A 53 -16.476 -21.234 40.418 1.00 15.28 C ANISOU 797 CG LEU A 53 1703 2711 1393 -39 -243 -137 C ATOM 798 CD1 LEU A 53 -15.378 -20.987 39.400 1.00 15.16 C ANISOU 798 CD1 LEU A 53 1752 2744 1266 -29 -219 -157 C ATOM 799 CD2 LEU A 53 -16.665 -22.720 40.705 1.00 16.58 C ANISOU 799 CD2 LEU A 53 1861 2826 1612 -90 -265 -218 C ATOM 800 H LEU A 53 -18.570 -19.914 41.816 1.00 15.58 H ATOM 801 HA LEU A 53 -16.952 -21.578 43.191 1.00 15.25 H ATOM 802 HB2 LEU A 53 -16.195 -19.494 41.451 1.00 17.26 H ATOM 803 HB3 LEU A 53 -15.254 -20.665 41.953 1.00 17.26 H ATOM 804 HG LEU A 53 -17.305 -20.900 40.042 1.00 18.34 H ATOM 805 HD11 LEU A 53 -15.575 -21.492 38.595 1.00 18.20 H ATOM 806 HD12 LEU A 53 -15.343 -20.040 39.197 1.00 18.20 H ATOM 807 HD13 LEU A 53 -14.531 -21.277 39.774 1.00 18.20 H ATOM 808 HD21 LEU A 53 -16.864 -23.179 39.874 1.00 19.90 H ATOM 809 HD22 LEU A 53 -15.848 -23.074 41.091 1.00 19.90 H ATOM 810 HD23 LEU A 53 -17.400 -22.830 41.328 1.00 19.90 H ATOM 811 N ASP A 54 -16.223 -20.204 45.052 1.00 11.25 N ANISOU 811 N ASP A 54 1115 2032 1129 56 -70 -27 N ATOM 812 CA ASP A 54 -15.767 -19.396 46.184 1.00 11.37 C ANISOU 812 CA ASP A 54 1144 2006 1169 109 -22 -1 C ATOM 813 C ASP A 54 -14.261 -19.511 46.186 1.00 11.16 C ANISOU 813 C ASP A 54 1187 1922 1129 96 14 -21 C ATOM 814 O ASP A 54 -13.725 -20.539 46.558 1.00 11.64 O ANISOU 814 O ASP A 54 1257 1952 1214 63 36 -55 O ATOM 815 CB ASP A 54 -16.402 -19.954 47.466 1.00 11.81 C ANISOU 815 CB ASP A 54 1140 2074 1274 104 7 6 C ATOM 816 CG ASP A 54 -16.023 -19.180 48.709 1.00 13.89 C ANISOU 816 CG ASP A 54 1419 2311 1547 166 53 17 C ATOM 817 OD1 ASP A 54 -15.366 -18.129 48.621 1.00 14.16 O ANISOU 817 OD1 ASP A 54 1510 2301 1568 214 48 20 O ATOM 818 OD2 ASP A 54 -16.405 -19.655 49.809 1.00 15.52 O ANISOU 818 OD2 ASP A 54 1581 2545 1772 160 87 26 O ATOM 819 H ASP A 54 -16.104 -21.048 45.168 1.00 13.50 H ATOM 820 HA ASP A 54 -16.025 -18.468 46.067 1.00 13.64 H ATOM 821 HB2 ASP A 54 -17.368 -19.922 47.378 1.00 14.18 H ATOM 822 HB3 ASP A 54 -16.112 -20.871 47.586 1.00 14.18 H ATOM 823 N ILE A 55 -13.601 -18.481 45.679 1.00 10.72 N ANISOU 823 N ILE A 55 1175 1858 1040 117 9 8 N ATOM 824 CA ILE A 55 -12.175 -18.554 45.371 1.00 10.43 C ANISOU 824 CA ILE A 55 1182 1804 978 94 40 -1 C ATOM 825 C ILE A 55 -11.374 -17.746 46.383 1.00 11.10 C ANISOU 825 C ILE A 55 1295 1826 1098 116 61 28 C ATOM 826 O ILE A 55 -11.573 -16.549 46.515 1.00 11.95 O ANISOU 826 O ILE A 55 1423 1905 1211 146 31 73 O ATOM 827 CB ILE A 55 -11.892 -18.021 43.961 1.00 11.29 C ANISOU 827 CB ILE A 55 1312 1969 1008 76 17 30 C ATOM 828 CG1 ILE A 55 -12.651 -18.851 42.918 1.00 12.48 C ANISOU 828 CG1 ILE A 55 1445 2189 1109 56 -15 -14 C ATOM 829 CG2 ILE A 55 -10.395 -18.087 43.651 1.00 11.35 C ANISOU 829 CG2 ILE A 55 1340 1992 980 51 62 28 C ATOM 830 CD1 ILE A 55 -12.721 -18.263 41.534 1.00 14.20 C ANISOU 830 CD1 ILE A 55 1679 2485 1231 42 -51 26 C ATOM 831 H ILE A 55 -13.957 -17.719 45.502 1.00 12.87 H ATOM 832 HA ILE A 55 -11.882 -19.478 45.415 1.00 12.52 H ATOM 833 HB ILE A 55 -12.186 -17.098 43.906 1.00 13.55 H ATOM 834 HG12 ILE A 55 -12.218 -19.716 42.843 1.00 14.98 H ATOM 835 HG13 ILE A 55 -13.562 -18.972 43.228 1.00 14.98 H ATOM 836 HG21 ILE A 55 -10.243 -17.745 42.756 1.00 13.62 H ATOM 837 HG22 ILE A 55 -9.915 -17.546 44.298 1.00 13.62 H ATOM 838 HG23 ILE A 55 -10.102 -19.010 43.708 1.00 13.62 H ATOM 839 HD11 ILE A 55 -13.219 -18.866 40.960 1.00 17.04 H ATOM 840 HD12 ILE A 55 -13.168 -17.404 41.579 1.00 17.04 H ATOM 841 HD13 ILE A 55 -11.820 -18.151 41.193 1.00 17.04 H ATOM 842 N LEU A 56 -10.463 -18.417 47.083 1.00 9.44 N ANISOU 842 N LEU A 56 1089 1583 913 102 99 0 N ATOM 843 CA LEU A 56 -9.575 -17.770 48.039 1.00 9.68 C ANISOU 843 CA LEU A 56 1146 1558 973 112 109 20 C ATOM 844 C LEU A 56 -8.226 -17.477 47.387 1.00 10.60 C ANISOU 844 C LEU A 56 1274 1689 1065 77 122 45 C ATOM 845 O LEU A 56 -7.524 -18.389 46.941 1.00 10.08 O ANISOU 845 O LEU A 56 1187 1661 983 61 154 9 O ATOM 846 CB LEU A 56 -9.362 -18.672 49.243 1.00 10.12 C ANISOU 846 CB LEU A 56 1193 1584 1070 115 135 -12 C ATOM 847 CG LEU A 56 -8.439 -18.109 50.333 1.00 9.62 C ANISOU 847 CG LEU A 56 1157 1467 1030 124 136 2 C ATOM 848 CD1 LEU A 56 -8.987 -16.832 50.950 1.00 10.84 C ANISOU 848 CD1 LEU A 56 1343 1590 1187 167 105 18 C ATOM 849 CD2 LEU A 56 -8.196 -19.158 51.407 1.00 11.59 C ANISOU 849 CD2 LEU A 56 1398 1699 1307 122 155 -20 C ATOM 850 H LEU A 56 -10.339 -19.266 47.020 1.00 11.32 H ATOM 851 HA LEU A 56 -9.966 -16.934 48.339 1.00 11.61 H ATOM 852 HB2 LEU A 56 -10.224 -18.846 49.653 1.00 12.15 H ATOM 853 HB3 LEU A 56 -8.975 -19.507 48.936 1.00 12.15 H ATOM 854 HG LEU A 56 -7.582 -17.896 49.932 1.00 11.54 H ATOM 855 HD11 LEU A 56 -8.369 -16.519 51.630 1.00 13.01 H ATOM 856 HD12 LEU A 56 -9.082 -16.162 50.256 1.00 13.01 H ATOM 857 HD13 LEU A 56 -9.850 -17.020 51.350 1.00 13.01 H ATOM 858 HD21 LEU A 56 -7.612 -18.785 52.086 1.00 13.91 H ATOM 859 HD22 LEU A 56 -9.045 -19.408 51.802 1.00 13.91 H ATOM 860 HD23 LEU A 56 -7.778 -19.934 51.001 1.00 13.91 H ATOM 861 N ASP A 57 -7.900 -16.193 47.309 1.00 9.39 N ANISOU 861 N ASP A 57 1150 1507 911 66 90 106 N ATOM 862 CA ASP A 57 -6.611 -15.725 46.811 1.00 9.70 C ANISOU 862 CA ASP A 57 1187 1567 932 14 97 158 C ATOM 863 C ASP A 57 -5.670 -15.599 48.015 1.00 10.84 C ANISOU 863 C ASP A 57 1338 1649 1131 7 97 154 C ATOM 864 O ASP A 57 -5.729 -14.627 48.778 1.00 10.34 O ANISOU 864 O ASP A 57 1319 1503 1106 14 47 178 O ATOM 865 CB ASP A 57 -6.824 -14.377 46.125 1.00 10.70 C ANISOU 865 CB ASP A 57 1349 1677 1039 -12 41 247 C ATOM 866 CG ASP A 57 -5.527 -13.697 45.711 1.00 11.94 C ANISOU 866 CG ASP A 57 1499 1853 1182 -91 36 332 C ATOM 867 OD1 ASP A 57 -4.533 -14.419 45.453 1.00 10.30 O ANISOU 867 OD1 ASP A 57 1237 1730 948 -119 97 317 O ATOM 868 OD2 ASP A 57 -5.530 -12.428 45.611 1.00 11.80 O ANISOU 868 OD2 ASP A 57 1529 1769 1186 -124 -35 418 O ATOM 869 H ASP A 57 -8.424 -15.554 47.547 1.00 11.27 H ATOM 870 HA ASP A 57 -6.241 -16.357 46.175 1.00 11.64 H ATOM 871 HB2 ASP A 57 -7.358 -14.512 45.326 1.00 12.84 H ATOM 872 HB3 ASP A 57 -7.289 -13.784 46.736 1.00 12.84 H ATOM 873 N THR A 58 -4.861 -16.624 48.236 1.00 9.81 N ANISOU 873 N THR A 58 1167 1551 1008 4 141 114 N ATOM 874 CA THR A 58 -4.039 -16.659 49.439 1.00 10.18 C ANISOU 874 CA THR A 58 1216 1545 1106 3 133 107 C ATOM 875 C THR A 58 -2.867 -15.688 49.366 1.00 10.40 C ANISOU 875 C THR A 58 1236 1570 1147 -58 107 177 C ATOM 876 O THR A 58 -2.442 -15.283 48.276 1.00 10.23 O ANISOU 876 O THR A 58 1185 1615 1086 -107 118 234 O ATOM 877 CB THR A 58 -3.493 -18.055 49.754 1.00 9.59 C ANISOU 877 CB THR A 58 1101 1495 1050 26 172 50 C ATOM 878 OG1 THR A 58 -2.532 -18.448 48.765 1.00 10.40 O ANISOU 878 OG1 THR A 58 1144 1684 1123 11 211 48 O ATOM 879 CG2 THR A 58 -4.591 -19.078 49.866 1.00 9.30 C ANISOU 879 CG2 THR A 58 1073 1447 1013 63 183 -4 C ATOM 880 H THR A 58 -4.768 -17.303 47.715 1.00 11.77 H ATOM 881 HA THR A 58 -4.591 -16.390 50.190 1.00 12.21 H ATOM 882 HB THR A 58 -3.045 -18.018 50.614 1.00 11.51 H ATOM 883 HG1 THR A 58 -2.891 -18.463 48.005 1.00 12.48 H ATOM 884 HG21 THR A 58 -4.213 -19.949 50.065 1.00 11.16 H ATOM 885 HG22 THR A 58 -5.204 -18.831 50.576 1.00 11.16 H ATOM 886 HG23 THR A 58 -5.081 -19.131 49.031 1.00 11.16 H ATOM 887 N ALA A 59 -2.322 -15.331 50.537 1.00 10.30 N ANISOU 887 N ALA A 59 1244 1488 1182 -66 67 179 N ATOM 888 CA ALA A 59 -1.187 -14.435 50.600 1.00 11.11 C ANISOU 888 CA ALA A 59 1335 1574 1310 -139 24 248 C ATOM 889 C ALA A 59 -0.055 -14.931 51.504 1.00 12.95 C ANISOU 889 C ALA A 59 1527 1811 1583 -149 21 233 C ATOM 890 O ALA A 59 0.848 -14.166 51.838 1.00 12.96 O ANISOU 890 O ALA A 59 1521 1785 1618 -215 -34 285 O ATOM 891 CB ALA A 59 -1.641 -13.027 51.006 1.00 14.30 C ANISOU 891 CB ALA A 59 1828 1864 1742 -155 -66 281 C ATOM 892 H ALA A 59 -2.600 -15.601 51.305 1.00 12.36 H ATOM 893 HA ALA A 59 -0.817 -14.364 49.706 1.00 13.33 H ATOM 894 HB1 ALA A 59 -0.867 -12.444 51.042 1.00 17.16 H ATOM 895 HB2 ALA A 59 -2.273 -12.698 50.348 1.00 17.16 H ATOM 896 HB3 ALA A 59 -2.064 -13.072 51.878 1.00 17.16 H ATOM 897 N GLY A 60 -0.080 -16.202 51.871 1.00 11.94 N ANISOU 897 N GLY A 60 1369 1712 1456 -91 66 169 N ATOM 898 CA GLY A 60 1.050 -16.796 52.568 1.00 13.00 C ANISOU 898 CA GLY A 60 1450 1862 1628 -92 61 161 C ATOM 899 C GLY A 60 0.796 -16.979 54.050 1.00 12.42 C ANISOU 899 C GLY A 60 1433 1709 1575 -58 15 127 C ATOM 900 O GLY A 60 -0.226 -17.534 54.452 1.00 16.06 O ANISOU 900 O GLY A 60 1938 2145 2018 -7 32 85 O ATOM 901 H GLY A 60 -0.735 -16.741 51.730 1.00 14.33 H ATOM 902 HA2 GLY A 60 1.246 -17.664 52.182 1.00 15.60 H ATOM 903 HA3 GLY A 60 1.830 -16.230 52.459 1.00 15.60 H ATOM 904 N GLN A 61 1.722 -16.494 54.867 1.00 10.98 N ANISOU 904 N GLN A 61 1248 1499 1425 -96 -46 152 N ATOM 905 CA GLN A 61 1.596 -16.711 56.302 1.00 11.21 C ANISOU 905 CA GLN A 61 1331 1474 1455 -64 -92 120 C ATOM 906 C GLN A 61 0.280 -16.151 56.805 1.00 12.80 C ANISOU 906 C GLN A 61 1629 1620 1615 -27 -106 85 C ATOM 907 O GLN A 61 -0.183 -15.138 56.322 1.00 14.48 O ANISOU 907 O GLN A 61 1881 1799 1822 -41 -125 93 O ATOM 908 CB GLN A 61 2.730 -16.012 57.060 1.00 11.23 C ANISOU 908 CB GLN A 61 1328 1448 1489 -120 -178 149 C ATOM 909 CG GLN A 61 4.116 -16.510 56.761 1.00 13.04 C ANISOU 909 CG GLN A 61 1441 1749 1764 -153 -174 188 C ATOM 910 CD GLN A 61 4.397 -17.841 57.377 1.00 15.79 C ANISOU 910 CD GLN A 61 1755 2119 2125 -88 -161 161 C ATOM 911 OE1 GLN A 61 3.830 -18.197 58.407 1.00 21.30 O ANISOU 911 OE1 GLN A 61 2523 2770 2798 -50 -186 133 O ATOM 912 NE2 GLN A 61 5.329 -18.571 56.786 1.00 26.93 N ANISOU 912 NE2 GLN A 61 3053 3606 3573 -74 -127 172 N ATOM 913 H GLN A 61 2.415 -16.047 54.624 1.00 13.17 H ATOM 914 HA GLN A 61 1.628 -17.661 56.496 1.00 13.45 H ATOM 915 HB2 GLN A 61 2.708 -15.067 56.840 1.00 13.47 H ATOM 916 HB3 GLN A 61 2.579 -16.126 58.011 1.00 13.47 H ATOM 917 HG2 GLN A 61 4.220 -16.596 55.800 1.00 15.65 H ATOM 918 HG3 GLN A 61 4.761 -15.876 57.110 1.00 15.65 H ATOM 919 HE21 GLN A 61 5.733 -18.270 56.089 1.00 32.32 H ATOM 920 HE22 GLN A 61 5.530 -19.346 57.100 1.00 32.32 H ATOM 921 N GLU A 62 -0.299 -16.814 57.790 1.00 12.54 N ANISOU 921 N GLU A 62 1627 1585 1552 23 -98 51 N ATOM 922 CA GLU A 62 -1.458 -16.319 58.515 1.00 11.19 C ANISOU 922 CA GLU A 62 1531 1392 1328 70 -106 12 C ATOM 923 C GLU A 62 -1.058 -15.856 59.902 1.00 11.65 C ANISOU 923 C GLU A 62 1648 1422 1358 78 -177 -13 C ATOM 924 O GLU A 62 0.024 -16.210 60.387 1.00 12.16 O ANISOU 924 O GLU A 62 1688 1488 1445 45 -216 10 O ATOM 925 CB GLU A 62 -2.529 -17.406 58.633 1.00 11.84 C ANISOU 925 CB GLU A 62 1598 1523 1378 112 -39 2 C ATOM 926 CG GLU A 62 -2.990 -17.973 57.323 1.00 10.98 C ANISOU 926 CG GLU A 62 1441 1440 1291 106 17 12 C ATOM 927 CD GLU A 62 -3.919 -17.073 56.586 1.00 13.30 C ANISOU 927 CD GLU A 62 1754 1730 1568 122 25 1 C ATOM 928 OE1 GLU A 62 -4.253 -15.966 57.050 1.00 15.16 O ANISOU 928 OE1 GLU A 62 2044 1931 1785 149 -14 -19 O ATOM 929 OE2 GLU A 62 -4.334 -17.497 55.505 1.00 16.45 O ANISOU 929 OE2 GLU A 62 2118 2158 1974 116 63 8 O ATOM 930 H GLU A 62 -0.028 -17.582 58.068 1.00 15.04 H ATOM 931 HA GLU A 62 -1.839 -15.565 58.038 1.00 13.43 H ATOM 932 HB2 GLU A 62 -2.171 -18.137 59.160 1.00 14.21 H ATOM 933 HB3 GLU A 62 -3.304 -17.030 59.079 1.00 14.21 H ATOM 934 HG2 GLU A 62 -2.217 -18.131 56.759 1.00 13.18 H ATOM 935 HG3 GLU A 62 -3.453 -18.809 57.489 1.00 13.18 H ATOM 936 N GLU A 63 -1.932 -15.080 60.536 1.00 13.73 N ANISOU 936 N GLU A 63 1983 1666 1566 130 -197 -65 N ATOM 937 CA GLU A 63 -1.745 -14.692 61.928 1.00 11.74 C ANISOU 937 CA GLU A 63 1798 1405 1258 156 -260 -110 C ATOM 938 C GLU A 63 -1.413 -15.954 62.751 1.00 11.57 C ANISOU 938 C GLU A 63 1743 1449 1203 149 -238 -78 C ATOM 939 O GLU A 63 -0.488 -15.944 63.574 1.00 12.03 O ANISOU 939 O GLU A 63 1820 1498 1254 125 -308 -74 O ATOM 940 CB GLU A 63 -3.007 -14.013 62.462 1.00 13.29 C ANISOU 940 CB GLU A 63 2058 1613 1378 247 -251 -186 C ATOM 941 CG GLU A 63 -2.861 -13.529 63.862 1.00 13.73 C ANISOU 941 CG GLU A 63 2192 1672 1354 289 -316 -254 C ATOM 942 CD GLU A 63 -4.091 -12.869 64.408 1.00 15.20 C ANISOU 942 CD GLU A 63 2431 1892 1453 402 -298 -346 C ATOM 943 OE1 GLU A 63 -5.158 -12.956 63.777 1.00 15.55 O ANISOU 943 OE1 GLU A 63 2434 1975 1498 448 -225 -344 O ATOM 944 OE2 GLU A 63 -3.991 -12.305 65.510 1.00 14.83 O ANISOU 944 OE2 GLU A 63 2462 1845 1329 453 -359 -425 O ATOM 945 H GLU A 63 -2.647 -14.764 60.178 1.00 16.47 H ATOM 946 HA GLU A 63 -1.004 -14.071 61.998 1.00 14.09 H ATOM 947 HB2 GLU A 63 -3.215 -13.249 61.902 1.00 15.95 H ATOM 948 HB3 GLU A 63 -3.740 -14.649 62.441 1.00 15.95 H ATOM 949 HG2 GLU A 63 -2.652 -14.284 64.434 1.00 16.48 H ATOM 950 HG3 GLU A 63 -2.139 -12.882 63.895 1.00 16.48 H ATOM 951 N TYR A 64 -2.201 -17.021 62.569 1.00 11.14 N ANISOU 951 N TYR A 64 1645 1455 1131 167 -156 -49 N ATOM 952 CA TYR A 64 -1.957 -18.329 63.196 1.00 11.63 C ANISOU 952 CA TYR A 64 1678 1561 1181 152 -143 3 C ATOM 953 C TYR A 64 -1.970 -19.413 62.130 1.00 11.77 C ANISOU 953 C TYR A 64 1626 1571 1273 129 -93 46 C ATOM 954 O TYR A 64 -2.880 -19.436 61.289 1.00 10.48 O ANISOU 954 O TYR A 64 1445 1420 1118 139 -37 36 O ATOM 955 CB TYR A 64 -3.052 -18.666 64.207 1.00 12.08 C ANISOU 955 CB TYR A 64 1760 1700 1131 189 -105 4 C ATOM 956 CG TYR A 64 -3.281 -17.620 65.282 1.00 12.56 C ANISOU 956 CG TYR A 64 1893 1791 1087 239 -142 -65 C ATOM 957 CD1 TYR A 64 -2.374 -17.427 66.315 1.00 11.79 C ANISOU 957 CD1 TYR A 64 1844 1689 947 230 -222 -74 C ATOM 958 CD2 TYR A 64 -4.405 -16.825 65.265 1.00 12.47 C ANISOU 958 CD2 TYR A 64 1904 1816 1020 307 -104 -130 C ATOM 959 CE1 TYR A 64 -2.588 -16.481 67.296 1.00 13.25 C ANISOU 959 CE1 TYR A 64 2106 1901 1026 284 -265 -157 C ATOM 960 CE2 TYR A 64 -4.646 -15.876 66.262 1.00 13.63 C ANISOU 960 CE2 TYR A 64 2122 1991 1064 377 -140 -217 C ATOM 961 CZ TYR A 64 -3.730 -15.712 67.263 1.00 14.09 C ANISOU 961 CZ TYR A 64 2239 2041 1074 364 -221 -235 C ATOM 962 OH TYR A 64 -3.967 -14.793 68.250 1.00 15.46 O ANISOU 962 OH TYR A 64 2494 2244 1136 441 -265 -338 O ATOM 963 H TYR A 64 -2.903 -17.011 62.073 1.00 13.37 H ATOM 964 HA TYR A 64 -1.096 -18.331 63.643 1.00 13.96 H ATOM 965 HB2 TYR A 64 -3.888 -18.782 63.729 1.00 14.50 H ATOM 966 HB3 TYR A 64 -2.815 -19.495 64.652 1.00 14.50 H ATOM 967 HD1 TYR A 64 -1.605 -17.949 66.347 1.00 14.15 H ATOM 968 HD2 TYR A 64 -5.032 -16.942 64.589 1.00 14.97 H ATOM 969 HE1 TYR A 64 -1.973 -16.376 67.986 1.00 15.89 H ATOM 970 HE2 TYR A 64 -5.415 -15.354 66.238 1.00 16.35 H ATOM 971 HH TYR A 64 -3.339 -14.802 68.808 1.00 18.56 H ATOM 972 N SER A 65 -1.021 -20.347 62.170 1.00 10.23 N ANISOU 972 N SER A 65 1395 1359 1132 108 -118 86 N ATOM 973 CA SER A 65 -0.991 -21.395 61.149 1.00 10.08 C ANISOU 973 CA SER A 65 1321 1324 1186 103 -81 103 C ATOM 974 C SER A 65 -2.270 -22.235 61.173 1.00 9.47 C ANISOU 974 C SER A 65 1248 1265 1083 104 -35 125 C ATOM 975 O SER A 65 -2.612 -22.827 60.171 1.00 10.08 O ANISOU 975 O SER A 65 1296 1325 1207 101 -4 116 O ATOM 976 CB SER A 65 0.233 -22.296 61.294 1.00 11.74 C ANISOU 976 CB SER A 65 1492 1507 1462 104 -127 132 C ATOM 977 OG SER A 65 0.210 -23.042 62.492 1.00 13.31 O ANISOU 977 OG SER A 65 1721 1705 1633 103 -168 182 O ATOM 978 H SER A 65 -0.398 -20.397 62.761 1.00 12.27 H ATOM 979 HA SER A 65 -0.938 -20.971 60.278 1.00 12.10 H ATOM 980 HB2 SER A 65 0.256 -22.911 60.544 1.00 14.09 H ATOM 981 HB3 SER A 65 1.029 -21.742 61.287 1.00 14.09 H ATOM 982 HG SER A 65 -0.472 -23.531 62.513 1.00 15.98 H ATOM 983 N ALA A 66 -2.980 -22.272 62.300 1.00 9.04 N ANISOU 983 N ALA A 66 1228 1257 950 103 -33 153 N ATOM 984 CA ALA A 66 -4.237 -22.987 62.361 1.00 9.94 C ANISOU 984 CA ALA A 66 1330 1410 1036 85 11 190 C ATOM 985 C ALA A 66 -5.218 -22.483 61.308 1.00 9.03 C ANISOU 985 C ALA A 66 1190 1314 926 97 65 147 C ATOM 986 O ALA A 66 -6.056 -23.252 60.836 1.00 9.39 O ANISOU 986 O ALA A 66 1206 1367 994 70 91 173 O ATOM 987 CB ALA A 66 -4.834 -22.865 63.750 1.00 10.64 C ANISOU 987 CB ALA A 66 1445 1586 1013 86 18 227 C ATOM 988 H ALA A 66 -2.751 -21.891 63.036 1.00 10.85 H ATOM 989 HA ALA A 66 -4.072 -23.927 62.188 1.00 11.92 H ATOM 990 HB1 ALA A 66 -5.675 -23.348 63.776 1.00 12.77 H ATOM 991 HB2 ALA A 66 -4.215 -23.243 64.394 1.00 12.77 H ATOM 992 HB3 ALA A 66 -4.985 -21.927 63.947 1.00 12.77 H ATOM 993 N MET A 67 -5.130 -21.202 60.954 1.00 9.64 N ANISOU 993 N MET A 67 1283 1392 987 131 68 89 N ATOM 994 CA MET A 67 -5.993 -20.610 59.936 1.00 10.87 C ANISOU 994 CA MET A 67 1420 1561 1149 148 104 55 C ATOM 995 C MET A 67 -5.654 -21.137 58.547 1.00 9.84 C ANISOU 995 C MET A 67 1258 1388 1094 124 109 50 C ATOM 996 O MET A 67 -6.539 -21.308 57.710 1.00 9.77 O ANISOU 996 O MET A 67 1223 1397 1092 120 137 43 O ATOM 997 CB MET A 67 -5.844 -19.092 59.953 1.00 9.88 C ANISOU 997 CB MET A 67 1335 1422 999 189 82 3 C ATOM 998 CG MET A 67 -6.340 -18.479 61.257 1.00 11.41 C ANISOU 998 CG MET A 67 1566 1666 1101 239 78 -24 C ATOM 999 SD MET A 67 -5.849 -16.766 61.422 1.00 13.56 S ANISOU 999 SD MET A 67 1913 1873 1364 285 11 -98 S ATOM 1000 CE MET A 67 -6.852 -16.045 60.137 1.00 25.36 C ANISOU 1000 CE MET A 67 3389 3354 2892 320 34 -118 C ATOM 1001 H MET A 67 -4.569 -20.647 61.296 1.00 11.56 H ATOM 1002 HA MET A 67 -6.916 -20.825 60.139 1.00 13.04 H ATOM 1003 HB2 MET A 67 -4.908 -18.863 59.849 1.00 11.86 H ATOM 1004 HB3 MET A 67 -6.363 -18.714 59.225 1.00 11.86 H ATOM 1005 HG2 MET A 67 -7.309 -18.519 61.280 1.00 13.69 H ATOM 1006 HG3 MET A 67 -5.968 -18.973 62.004 1.00 13.69 H ATOM 1007 HE1 MET A 67 -6.687 -15.090 60.107 1.00 30.43 H ATOM 1008 HE2 MET A 67 -6.615 -16.449 59.288 1.00 30.43 H ATOM 1009 HE3 MET A 67 -7.786 -16.214 60.335 1.00 30.43 H ATOM 1010 N ARG A 68 -4.372 -21.355 58.282 1.00 8.58 N ANISOU 1010 N ARG A 68 1094 1183 982 114 81 48 N ATOM 1011 CA ARG A 68 -3.953 -21.945 57.030 1.00 9.16 C ANISOU 1011 CA ARG A 68 1133 1238 1111 106 92 31 C ATOM 1012 C ARG A 68 -4.526 -23.349 56.953 1.00 9.11 C ANISOU 1012 C ARG A 68 1116 1212 1133 93 93 43 C ATOM 1013 O ARG A 68 -5.094 -23.757 55.927 1.00 9.70 O ANISOU 1013 O ARG A 68 1175 1288 1224 87 109 18 O ATOM 1014 CB ARG A 68 -2.420 -22.012 56.969 1.00 8.80 C ANISOU 1014 CB ARG A 68 1064 1172 1106 110 65 29 C ATOM 1015 CG ARG A 68 -1.844 -22.845 55.826 1.00 10.16 C ANISOU 1015 CG ARG A 68 1191 1343 1326 125 80 -2 C ATOM 1016 CD ARG A 68 -0.441 -23.293 56.148 1.00 10.74 C ANISOU 1016 CD ARG A 68 1228 1405 1448 145 49 2 C ATOM 1017 NE ARG A 68 -0.450 -24.268 57.227 1.00 10.58 N ANISOU 1017 NE ARG A 68 1232 1333 1454 154 5 31 N ATOM 1018 CZ ARG A 68 0.581 -24.560 58.001 1.00 9.56 C ANISOU 1018 CZ ARG A 68 1087 1186 1358 169 -44 55 C ATOM 1019 NH1 ARG A 68 1.737 -23.944 57.854 1.00 11.18 N ANISOU 1019 NH1 ARG A 68 1241 1429 1579 174 -53 51 N ATOM 1020 NH2 ARG A 68 0.437 -25.460 58.953 1.00 10.83 N ANISOU 1020 NH2 ARG A 68 1280 1297 1537 171 -90 97 N ATOM 1021 H ARG A 68 -3.726 -21.168 58.817 1.00 10.29 H ATOM 1022 HA ARG A 68 -4.282 -21.421 56.283 1.00 11.00 H ATOM 1023 HB2 ARG A 68 -2.077 -21.110 56.874 1.00 10.56 H ATOM 1024 HB3 ARG A 68 -2.097 -22.394 57.800 1.00 10.56 H ATOM 1025 HG2 ARG A 68 -2.394 -23.633 55.692 1.00 12.19 H ATOM 1026 HG3 ARG A 68 -1.817 -22.309 55.018 1.00 12.19 H ATOM 1027 HD2 ARG A 68 -0.046 -23.706 55.365 1.00 12.89 H ATOM 1028 HD3 ARG A 68 0.086 -22.529 56.430 1.00 12.89 H ATOM 1029 HE ARG A 68 -1.186 -24.689 57.374 1.00 12.69 H ATOM 1030 HH11 ARG A 68 1.834 -23.352 57.237 1.00 13.42 H ATOM 1031 HH12 ARG A 68 2.398 -24.142 58.367 1.00 13.42 H ATOM 1032 HH21 ARG A 68 -0.317 -25.862 59.055 1.00 12.99 H ATOM 1033 HH22 ARG A 68 1.101 -25.656 59.464 1.00 12.99 H ATOM 1034 N ASP A 69 -4.357 -24.130 58.016 1.00 9.14 N ANISOU 1034 N ASP A 69 1133 1191 1147 82 63 87 N ATOM 1035 CA ASP A 69 -4.859 -25.501 58.014 1.00 8.65 C ANISOU 1035 CA ASP A 69 1072 1088 1128 54 43 116 C ATOM 1036 C ASP A 69 -6.362 -25.521 57.744 1.00 8.49 C ANISOU 1036 C ASP A 69 1038 1110 1078 19 73 130 C ATOM 1037 O ASP A 69 -6.844 -26.368 56.996 1.00 9.28 O ANISOU 1037 O ASP A 69 1129 1172 1223 -7 57 120 O ATOM 1038 CB ASP A 69 -4.540 -26.200 59.334 1.00 9.71 C ANISOU 1038 CB ASP A 69 1228 1195 1265 35 -1 188 C ATOM 1039 CG ASP A 69 -3.054 -26.421 59.543 1.00 11.07 C ANISOU 1039 CG ASP A 69 1402 1319 1486 73 -48 179 C ATOM 1040 OD1 ASP A 69 -2.241 -26.137 58.635 1.00 11.24 O ANISOU 1040 OD1 ASP A 69 1395 1333 1543 112 -39 116 O ATOM 1041 OD2 ASP A 69 -2.730 -26.910 60.644 1.00 10.95 O ANISOU 1041 OD2 ASP A 69 1408 1284 1468 61 -95 244 O ATOM 1042 H ASP A 69 -3.961 -23.895 58.741 1.00 10.96 H ATOM 1043 HA ASP A 69 -4.422 -25.994 57.302 1.00 10.39 H ATOM 1044 HB2 ASP A 69 -4.867 -25.654 60.066 1.00 11.65 H ATOM 1045 HB3 ASP A 69 -4.976 -27.066 59.345 1.00 11.65 H ATOM 1046 N GLN A 70 -7.090 -24.573 58.323 1.00 9.05 N ANISOU 1046 N GLN A 70 1103 1261 1074 24 109 145 N ATOM 1047 CA GLN A 70 -8.535 -24.559 58.134 1.00 8.86 C ANISOU 1047 CA GLN A 70 1044 1302 1022 -1 140 163 C ATOM 1048 C GLN A 70 -8.901 -24.324 56.675 1.00 9.37 C ANISOU 1048 C GLN A 70 1090 1359 1112 8 147 108 C ATOM 1049 O GLN A 70 -9.761 -25.024 56.143 1.00 9.71 O ANISOU 1049 O GLN A 70 1105 1404 1179 -35 137 119 O ATOM 1050 CB GLN A 70 -9.239 -23.584 59.067 1.00 10.22 C ANISOU 1050 CB GLN A 70 1205 1576 1103 29 180 176 C ATOM 1051 CG GLN A 70 -10.733 -23.564 58.822 1.00 11.44 C ANISOU 1051 CG GLN A 70 1298 1818 1233 13 215 194 C ATOM 1052 CD GLN A 70 -11.490 -22.805 59.858 1.00 13.11 C ANISOU 1052 CD GLN A 70 1482 2152 1348 57 262 204 C ATOM 1053 OE1 GLN A 70 -11.798 -23.335 60.920 1.00 14.52 O ANISOU 1053 OE1 GLN A 70 1640 2402 1474 23 279 272 O ATOM 1054 NE2 GLN A 70 -11.772 -21.550 59.566 1.00 13.81 N ANISOU 1054 NE2 GLN A 70 1572 2269 1407 138 278 136 N ATOM 1055 H GLN A 70 -6.781 -23.941 58.818 1.00 10.86 H ATOM 1056 HA GLN A 70 -8.865 -25.442 58.361 1.00 10.63 H ATOM 1057 HB2 GLN A 70 -9.085 -23.853 59.986 1.00 12.27 H ATOM 1058 HB3 GLN A 70 -8.894 -22.690 58.916 1.00 12.27 H ATOM 1059 HG2 GLN A 70 -10.905 -23.149 57.963 1.00 13.73 H ATOM 1060 HG3 GLN A 70 -11.063 -24.476 58.820 1.00 13.73 H ATOM 1061 HE21 GLN A 70 -11.521 -21.217 58.814 1.00 16.58 H ATOM 1062 HE22 GLN A 70 -12.207 -21.065 60.128 1.00 16.58 H ATOM 1063 N TYR A 71 -8.274 -23.370 56.003 1.00 8.79 N ANISOU 1063 N TYR A 71 1030 1278 1030 51 155 56 N ATOM 1064 CA TYR A 71 -8.647 -23.170 54.603 1.00 8.97 C ANISOU 1064 CA TYR A 71 1038 1311 1061 54 158 16 C ATOM 1065 C TYR A 71 -8.199 -24.306 53.705 1.00 9.72 C ANISOU 1065 C TYR A 71 1135 1352 1206 35 133 -18 C ATOM 1066 O TYR A 71 -8.796 -24.544 52.662 1.00 9.49 O ANISOU 1066 O TYR A 71 1094 1335 1177 23 125 -48 O ATOM 1067 CB TYR A 71 -8.241 -21.793 54.065 1.00 9.91 C ANISOU 1067 CB TYR A 71 1169 1445 1150 92 168 -8 C ATOM 1068 CG TYR A 71 -6.791 -21.548 53.675 1.00 9.55 C ANISOU 1068 CG TYR A 71 1139 1369 1122 99 161 -25 C ATOM 1069 CD1 TYR A 71 -6.173 -22.238 52.655 1.00 9.91 C ANISOU 1069 CD1 TYR A 71 1169 1409 1187 95 163 -57 C ATOM 1070 CD2 TYR A 71 -6.061 -20.540 54.288 1.00 10.19 C ANISOU 1070 CD2 TYR A 71 1242 1438 1192 112 151 -13 C ATOM 1071 CE1 TYR A 71 -4.855 -21.974 52.303 1.00 9.41 C ANISOU 1071 CE1 TYR A 71 1094 1351 1131 104 168 -66 C ATOM 1072 CE2 TYR A 71 -4.753 -20.247 53.909 1.00 9.86 C ANISOU 1072 CE2 TYR A 71 1194 1386 1168 103 142 -13 C ATOM 1073 CZ TYR A 71 -4.158 -20.973 52.911 1.00 10.34 C ANISOU 1073 CZ TYR A 71 1220 1464 1244 99 158 -35 C ATOM 1074 OH TYR A 71 -2.870 -20.705 52.541 1.00 10.86 O ANISOU 1074 OH TYR A 71 1256 1551 1320 93 161 -30 O ATOM 1075 H TYR A 71 -7.661 -22.850 56.309 1.00 10.54 H ATOM 1076 HA TYR A 71 -9.617 -23.183 54.572 1.00 10.77 H ATOM 1077 HB2 TYR A 71 -8.775 -21.617 53.275 1.00 11.89 H ATOM 1078 HB3 TYR A 71 -8.461 -21.136 54.744 1.00 11.89 H ATOM 1079 HD1 TYR A 71 -6.633 -22.920 52.221 1.00 11.89 H ATOM 1080 HD2 TYR A 71 -6.461 -20.035 54.959 1.00 12.23 H ATOM 1081 HE1 TYR A 71 -4.457 -22.457 51.615 1.00 11.29 H ATOM 1082 HE2 TYR A 71 -4.280 -19.575 54.344 1.00 11.83 H ATOM 1083 HH TYR A 71 -2.567 -20.068 52.997 1.00 13.03 H ATOM 1084 N MET A 72 -7.163 -25.033 54.113 1.00 8.80 N ANISOU 1084 N MET A 72 1037 1176 1131 42 111 -20 N ATOM 1085 CA MET A 72 -6.795 -26.226 53.376 1.00 8.63 C ANISOU 1085 CA MET A 72 1024 1092 1165 44 77 -67 C ATOM 1086 C MET A 72 -7.803 -27.354 53.599 1.00 9.17 C ANISOU 1086 C MET A 72 1099 1110 1274 -15 32 -37 C ATOM 1087 O MET A 72 -8.165 -28.052 52.671 1.00 10.70 O ANISOU 1087 O MET A 72 1301 1270 1496 -28 -2 -87 O ATOM 1088 CB MET A 72 -5.359 -26.638 53.692 1.00 8.75 C ANISOU 1088 CB MET A 72 1046 1058 1220 87 59 -85 C ATOM 1089 CG MET A 72 -4.351 -25.647 53.146 1.00 9.60 C ANISOU 1089 CG MET A 72 1129 1225 1295 127 98 -116 C ATOM 1090 SD MET A 72 -2.677 -26.106 53.498 1.00 10.23 S ANISOU 1090 SD MET A 72 1186 1276 1426 180 78 -132 S ATOM 1091 CE MET A 72 -1.838 -24.816 52.560 1.00 11.21 C ANISOU 1091 CE MET A 72 1259 1505 1494 192 133 -150 C ATOM 1092 H MET A 72 -6.671 -24.860 54.796 1.00 10.56 H ATOM 1093 HA MET A 72 -6.815 -26.002 52.432 1.00 10.36 H ATOM 1094 HB2 MET A 72 -5.246 -26.685 54.654 1.00 10.50 H ATOM 1095 HB3 MET A 72 -5.180 -27.503 53.291 1.00 10.50 H ATOM 1096 HG2 MET A 72 -4.451 -25.593 52.183 1.00 11.52 H ATOM 1097 HG3 MET A 72 -4.513 -24.778 53.546 1.00 11.52 H ATOM 1098 HE1 MET A 72 -0.879 -24.932 52.653 1.00 13.45 H ATOM 1099 HE2 MET A 72 -2.091 -24.889 51.626 1.00 13.45 H ATOM 1100 HE3 MET A 72 -2.103 -23.950 52.908 1.00 13.45 H ATOM 1101 N ARG A 73 -8.298 -27.489 54.816 1.00 9.63 N ANISOU 1101 N ARG A 73 1153 1177 1329 -58 29 49 N ATOM 1102 CA ARG A 73 -9.304 -28.485 55.093 1.00 10.26 C ANISOU 1102 CA ARG A 73 1227 1227 1445 -138 -14 108 C ATOM 1103 C ARG A 73 -10.621 -28.200 54.364 1.00 9.98 C ANISOU 1103 C ARG A 73 1148 1261 1385 -176 -1 102 C ATOM 1104 O ARG A 73 -11.249 -29.119 53.818 1.00 11.21 O ANISOU 1104 O ARG A 73 1303 1365 1590 -236 -58 99 O ATOM 1105 CB ARG A 73 -9.578 -28.597 56.591 1.00 9.54 C ANISOU 1105 CB ARG A 73 1127 1169 1330 -182 -7 220 C ATOM 1106 CG ARG A 73 -8.464 -29.305 57.326 1.00 12.48 C ANISOU 1106 CG ARG A 73 1545 1448 1748 -170 -56 249 C ATOM 1107 CD ARG A 73 -8.827 -29.690 58.750 1.00 14.95 C ANISOU 1107 CD ARG A 73 1857 1791 2033 -235 -67 379 C ATOM 1108 NE ARG A 73 -8.633 -28.585 59.688 1.00 24.31 N ANISOU 1108 NE ARG A 73 3032 3089 3117 -195 -5 395 N ATOM 1109 CZ ARG A 73 -9.565 -27.750 60.093 1.00 25.11 C ANISOU 1109 CZ ARG A 73 3088 3324 3126 -198 61 415 C ATOM 1110 NH1 ARG A 73 -9.237 -26.789 60.956 1.00 15.44 N ANISOU 1110 NH1 ARG A 73 1873 2179 1814 -146 99 407 N ATOM 1111 NH2 ARG A 73 -10.815 -27.865 59.649 1.00 37.81 N ANISOU 1111 NH2 ARG A 73 4642 4991 4732 -247 82 435 N ATOM 1112 H ARG A 73 -8.068 -27.016 55.496 1.00 11.55 H ATOM 1113 HA ARG A 73 -8.979 -29.347 54.787 1.00 12.31 H ATOM 1114 HB2 ARG A 73 -9.667 -27.706 56.965 1.00 11.45 H ATOM 1115 HB3 ARG A 73 -10.397 -29.099 56.728 1.00 11.45 H ATOM 1116 HG2 ARG A 73 -8.240 -30.118 56.847 1.00 14.97 H ATOM 1117 HG3 ARG A 73 -7.692 -28.720 57.364 1.00 14.97 H ATOM 1118 HD2 ARG A 73 -9.760 -29.952 58.781 1.00 17.94 H ATOM 1119 HD3 ARG A 73 -8.264 -30.428 59.033 1.00 17.94 H ATOM 1120 HE ARG A 73 -7.841 -28.470 60.002 1.00 29.18 H ATOM 1121 HH11 ARG A 73 -8.427 -26.721 61.238 1.00 18.53 H ATOM 1122 HH12 ARG A 73 -9.835 -26.235 61.230 1.00 18.53 H ATOM 1123 HH21 ARG A 73 -11.019 -28.488 59.093 1.00 45.37 H ATOM 1124 HH22 ARG A 73 -11.419 -27.315 59.919 1.00 45.37 H ATOM 1125 N THR A 74 -11.061 -26.945 54.335 1.00 10.11 N ANISOU 1125 N THR A 74 1129 1384 1330 -141 59 99 N ATOM 1126 CA THR A 74 -12.331 -26.634 53.690 1.00 10.31 C ANISOU 1126 CA THR A 74 1100 1483 1333 -167 65 100 C ATOM 1127 C THR A 74 -12.177 -26.501 52.183 1.00 9.62 C ANISOU 1127 C THR A 74 1030 1377 1247 -140 43 13 C ATOM 1128 O THR A 74 -13.154 -26.626 51.452 1.00 10.96 O ANISOU 1128 O THR A 74 1167 1582 1416 -176 17 5 O ATOM 1129 CB THR A 74 -12.983 -25.379 54.243 1.00 10.99 C ANISOU 1129 CB THR A 74 1139 1687 1350 -125 125 127 C ATOM 1130 OG1 THR A 74 -12.157 -24.244 54.012 1.00 12.35 O ANISOU 1130 OG1 THR A 74 1348 1856 1488 -44 151 75 O ATOM 1131 CG2 THR A 74 -13.282 -25.539 55.727 1.00 12.90 C ANISOU 1131 CG2 THR A 74 1354 1984 1563 -149 154 208 C ATOM 1132 H THR A 74 -10.653 -26.269 54.675 1.00 12.14 H ATOM 1133 HA THR A 74 -12.941 -27.371 53.853 1.00 12.37 H ATOM 1134 HB THR A 74 -13.828 -25.243 53.787 1.00 13.19 H ATOM 1135 HG1 THR A 74 -11.413 -24.349 54.388 1.00 14.82 H ATOM 1136 HG21 THR A 74 -13.698 -24.732 56.070 1.00 15.48 H ATOM 1137 HG22 THR A 74 -13.884 -26.287 55.865 1.00 15.48 H ATOM 1138 HG23 THR A 74 -12.460 -25.701 56.215 1.00 15.48 H ATOM 1139 N GLY A 75 -10.970 -26.249 51.695 1.00 9.65 N ANISOU 1139 N GLY A 75 1054 1632 982 88 18 226 N ATOM 1140 CA GLY A 75 -10.758 -26.134 50.259 1.00 9.33 C ANISOU 1140 CA GLY A 75 1069 1476 1000 39 -7 182 C ATOM 1141 C GLY A 75 -10.964 -27.460 49.557 1.00 9.81 C ANISOU 1141 C GLY A 75 1153 1443 1132 -3 48 224 C ATOM 1142 O GLY A 75 -10.431 -28.484 49.988 1.00 11.76 O ANISOU 1142 O GLY A 75 1392 1666 1410 33 126 305 O ATOM 1143 H GLY A 75 -10.261 -26.141 52.170 1.00 11.59 H ATOM 1144 HA2 GLY A 75 -11.378 -25.488 49.889 1.00 11.19 H ATOM 1145 HA3 GLY A 75 -9.853 -25.830 50.086 1.00 11.19 H ATOM 1146 N GLU A 76 -11.718 -27.429 48.458 1.00 9.66 N ANISOU 1146 N GLU A 76 1152 1382 1135 -84 27 175 N ATOM 1147 CA GLU A 76 -12.041 -28.638 47.713 1.00 10.65 C ANISOU 1147 CA GLU A 76 1307 1428 1312 -184 98 157 C ATOM 1148 C GLU A 76 -11.076 -28.871 46.558 1.00 11.09 C ANISOU 1148 C GLU A 76 1429 1406 1379 -236 123 97 C ATOM 1149 O GLU A 76 -10.861 -30.007 46.157 1.00 12.26 O ANISOU 1149 O GLU A 76 1627 1442 1588 -298 240 71 O ATOM 1150 CB GLU A 76 -13.490 -28.550 47.226 1.00 10.37 C ANISOU 1150 CB GLU A 76 1223 1466 1252 -282 62 131 C ATOM 1151 CG GLU A 76 -14.446 -28.625 48.390 1.00 12.62 C ANISOU 1151 CG GLU A 76 1444 1805 1545 -232 75 200 C ATOM 1152 CD GLU A 76 -15.880 -28.288 48.065 1.00 13.86 C ANISOU 1152 CD GLU A 76 1515 2082 1667 -295 27 213 C ATOM 1153 OE1 GLU A 76 -16.169 -27.158 47.632 1.00 13.62 O ANISOU 1153 OE1 GLU A 76 1441 2138 1596 -255 -45 233 O ATOM 1154 OE2 GLU A 76 -16.760 -29.145 48.323 1.00 17.40 O ANISOU 1154 OE2 GLU A 76 1925 2547 2140 -375 77 229 O ATOM 1155 H GLU A 76 -12.055 -26.713 48.123 1.00 11.59 H ATOM 1156 HA GLU A 76 -11.975 -29.399 48.310 1.00 12.78 H ATOM 1157 HB2 GLU A 76 -13.628 -27.705 46.770 1.00 12.45 H ATOM 1158 HB3 GLU A 76 -13.676 -29.292 46.629 1.00 12.45 H ATOM 1159 HG2 GLU A 76 -14.431 -29.528 48.743 1.00 15.14 H ATOM 1160 HG3 GLU A 76 -14.148 -28.004 49.074 1.00 15.14 H ATOM 1161 N GLY A 77 -10.493 -27.796 46.035 1.00 9.97 N ANISOU 1161 N GLY A 77 1291 1306 1189 -211 41 72 N ATOM 1162 CA GLY A 77 -9.499 -27.882 44.982 1.00 9.40 C ANISOU 1162 CA GLY A 77 1273 1183 1117 -245 59 27 C ATOM 1163 C GLY A 77 -8.528 -26.732 45.071 1.00 8.61 C ANISOU 1163 C GLY A 77 1166 1117 990 -169 -8 43 C ATOM 1164 O GLY A 77 -8.892 -25.649 45.531 1.00 9.00 O ANISOU 1164 O GLY A 77 1180 1223 1016 -131 -71 52 O ATOM 1165 H GLY A 77 -10.662 -26.991 46.282 1.00 11.96 H ATOM 1166 HA2 GLY A 77 -9.007 -28.714 45.060 1.00 11.28 H ATOM 1167 HA3 GLY A 77 -9.935 -27.857 44.115 1.00 11.28 H ATOM 1168 N PHE A 78 -7.311 -26.977 44.589 1.00 8.73 N ANISOU 1168 N PHE A 78 1215 1085 1019 -158 31 40 N ATOM 1169 CA PHE A 78 -6.201 -26.041 44.736 1.00 8.61 C ANISOU 1169 CA PHE A 78 1184 1107 981 -107 -16 55 C ATOM 1170 C PHE A 78 -5.562 -25.734 43.398 1.00 9.81 C ANISOU 1170 C PHE A 78 1371 1233 1122 -149 -22 20 C ATOM 1171 O PHE A 78 -5.188 -26.645 42.667 1.00 10.84 O ANISOU 1171 O PHE A 78 1544 1304 1270 -180 56 0 O ATOM 1172 CB PHE A 78 -5.170 -26.585 45.729 1.00 10.27 C ANISOU 1172 CB PHE A 78 1353 1350 1198 -29 34 136 C ATOM 1173 CG PHE A 78 -5.766 -26.824 47.077 1.00 8.91 C ANISOU 1173 CG PHE A 78 1128 1247 1009 14 38 188 C ATOM 1174 CD1 PHE A 78 -6.529 -27.965 47.322 1.00 9.94 C ANISOU 1174 CD1 PHE A 78 1269 1313 1195 24 120 234 C ATOM 1175 CD2 PHE A 78 -5.641 -25.879 48.073 1.00 9.91 C ANISOU 1175 CD2 PHE A 78 1201 1504 1062 23 -26 173 C ATOM 1176 CE1 PHE A 78 -7.149 -28.146 48.513 1.00 9.89 C ANISOU 1176 CE1 PHE A 78 1208 1379 1168 64 124 293 C ATOM 1177 CE2 PHE A 78 -6.254 -26.063 49.281 1.00 9.34 C ANISOU 1177 CE2 PHE A 78 1078 1520 950 53 -19 210 C ATOM 1178 CZ PHE A 78 -7.005 -27.204 49.504 1.00 9.99 C ANISOU 1178 CZ PHE A 78 1161 1548 1087 86 49 286 C ATOM 1179 H PHE A 78 -7.100 -27.695 44.165 1.00 10.48 H ATOM 1180 HA PHE A 78 -6.544 -25.208 45.095 1.00 10.33 H ATOM 1181 HB2 PHE A 78 -4.823 -27.428 45.398 1.00 12.32 H ATOM 1182 HB3 PHE A 78 -4.450 -25.942 45.826 1.00 12.32 H ATOM 1183 HD1 PHE A 78 -6.642 -28.594 46.647 1.00 11.93 H ATOM 1184 HD2 PHE A 78 -5.150 -25.105 47.916 1.00 11.90 H ATOM 1185 HE1 PHE A 78 -7.642 -28.919 48.670 1.00 11.86 H ATOM 1186 HE2 PHE A 78 -6.156 -25.430 49.955 1.00 11.21 H ATOM 1187 HZ PHE A 78 -7.404 -27.340 50.333 1.00 11.99 H ATOM 1188 N LEU A 79 -5.437 -24.448 43.105 1.00 8.61 N ANISOU 1188 N LEU A 79 1206 1116 951 -150 -88 12 N ATOM 1189 CA LEU A 79 -4.657 -23.996 41.978 1.00 9.14 C ANISOU 1189 CA LEU A 79 1291 1176 1006 -174 -94 6 C ATOM 1190 C LEU A 79 -3.256 -23.734 42.491 1.00 9.48 C ANISOU 1190 C LEU A 79 1315 1227 1059 -138 -84 24 C ATOM 1191 O LEU A 79 -3.058 -22.834 43.309 1.00 10.39 O ANISOU 1191 O LEU A 79 1400 1376 1173 -134 -114 13 O ATOM 1192 CB LEU A 79 -5.265 -22.715 41.462 1.00 11.99 C ANISOU 1192 CB LEU A 79 1632 1562 1364 -179 -141 27 C ATOM 1193 CG LEU A 79 -5.201 -22.440 39.990 1.00 14.51 C ANISOU 1193 CG LEU A 79 1948 1922 1643 -216 -150 54 C ATOM 1194 CD1 LEU A 79 -5.987 -23.540 39.200 1.00 15.18 C ANISOU 1194 CD1 LEU A 79 2035 2083 1651 -303 -142 17 C ATOM 1195 CD2 LEU A 79 -5.728 -21.040 39.658 1.00 14.65 C ANISOU 1195 CD2 LEU A 79 1922 1957 1687 -177 -166 139 C ATOM 1196 H LEU A 79 -5.802 -23.812 43.554 1.00 10.34 H ATOM 1197 HA LEU A 79 -4.637 -24.664 41.275 1.00 10.97 H ATOM 1198 HB2 LEU A 79 -6.203 -22.711 41.709 1.00 14.39 H ATOM 1199 HB3 LEU A 79 -4.820 -21.976 41.906 1.00 14.39 H ATOM 1200 HG LEU A 79 -4.274 -22.480 39.707 1.00 17.41 H ATOM 1201 HD11 LEU A 79 -6.913 -23.535 39.488 1.00 18.22 H ATOM 1202 HD12 LEU A 79 -5.934 -23.345 38.251 1.00 18.22 H ATOM 1203 HD13 LEU A 79 -5.588 -24.405 39.383 1.00 18.22 H ATOM 1204 HD21 LEU A 79 -6.651 -20.973 39.947 1.00 17.58 H ATOM 1205 HD22 LEU A 79 -5.187 -20.382 40.121 1.00 17.58 H ATOM 1206 HD23 LEU A 79 -5.670 -20.901 38.700 1.00 17.58 H ATOM 1207 N CYS A 80 -2.289 -24.537 42.061 1.00 9.24 N ANISOU 1207 N CYS A 80 1294 1180 1036 -123 -25 48 N ATOM 1208 CA CYS A 80 -0.916 -24.434 42.538 1.00 9.39 C ANISOU 1208 CA CYS A 80 1259 1256 1051 -85 -12 101 C ATOM 1209 C CYS A 80 -0.119 -23.683 41.489 1.00 8.71 C ANISOU 1209 C CYS A 80 1182 1166 961 -118 -25 89 C ATOM 1210 O CYS A 80 0.177 -24.224 40.424 1.00 9.15 O ANISOU 1210 O CYS A 80 1277 1177 1020 -119 31 90 O ATOM 1211 CB CYS A 80 -0.342 -25.828 42.778 1.00 9.83 C ANISOU 1211 CB CYS A 80 1299 1295 1143 -10 97 185 C ATOM 1212 SG CYS A 80 -1.165 -26.775 44.055 1.00 15.65 S ANISOU 1212 SG CYS A 80 2010 2036 1902 46 141 245 S ATOM 1213 H CYS A 80 -2.406 -25.162 41.482 1.00 11.09 H ATOM 1214 HA CYS A 80 -0.891 -23.936 43.370 1.00 11.26 H ATOM 1215 HB2 CYS A 80 -0.405 -26.334 41.953 1.00 11.80 H ATOM 1216 HB3 CYS A 80 0.589 -25.739 43.034 1.00 11.80 H ATOM 1217 HG CYS A 80 -0.631 -27.845 44.153 1.00 18.79 H ATOM 1218 N VAL A 81 0.191 -22.424 41.790 1.00 8.45 N ANISOU 1218 N VAL A 81 1119 1171 921 -158 -78 67 N ATOM 1219 CA VAL A 81 0.720 -21.494 40.810 1.00 8.72 C ANISOU 1219 CA VAL A 81 1164 1179 970 -196 -82 64 C ATOM 1220 C VAL A 81 2.213 -21.279 41.044 1.00 8.97 C ANISOU 1220 C VAL A 81 1127 1294 989 -216 -73 91 C ATOM 1221 O VAL A 81 2.624 -21.013 42.167 1.00 9.51 O ANISOU 1221 O VAL A 81 1128 1462 1025 -252 -95 74 O ATOM 1222 CB VAL A 81 -0.012 -20.130 40.874 1.00 9.61 C ANISOU 1222 CB VAL A 81 1294 1233 1123 -233 -98 28 C ATOM 1223 CG1 VAL A 81 0.441 -19.239 39.750 1.00 9.45 C ANISOU 1223 CG1 VAL A 81 1283 1170 1138 -253 -76 66 C ATOM 1224 CG2 VAL A 81 -1.515 -20.323 40.816 1.00 9.39 C ANISOU 1224 CG2 VAL A 81 1295 1174 1099 -201 -111 34 C ATOM 1225 H VAL A 81 0.099 -22.082 42.574 1.00 10.14 H ATOM 1226 HA VAL A 81 0.601 -21.863 39.921 1.00 10.46 H ATOM 1227 HB VAL A 81 0.204 -19.693 41.712 1.00 11.53 H ATOM 1228 HG11 VAL A 81 -0.029 -18.393 39.810 1.00 11.34 H ATOM 1229 HG12 VAL A 81 1.397 -19.093 39.829 1.00 11.34 H ATOM 1230 HG13 VAL A 81 0.241 -19.670 38.905 1.00 11.34 H ATOM 1231 HG21 VAL A 81 -1.946 -19.455 40.857 1.00 11.27 H ATOM 1232 HG22 VAL A 81 -1.744 -20.767 39.985 1.00 11.27 H ATOM 1233 HG23 VAL A 81 -1.792 -20.867 41.569 1.00 11.27 H ATOM 1234 N PHE A 82 2.984 -21.373 39.969 1.00 9.51 N ANISOU 1234 N PHE A 82 1200 1352 1063 -207 -41 133 N ATOM 1235 CA PHE A 82 4.364 -20.912 39.947 1.00 9.51 C ANISOU 1235 CA PHE A 82 1124 1433 1055 -242 -34 168 C ATOM 1236 C PHE A 82 4.514 -19.943 38.775 1.00 8.94 C ANISOU 1236 C PHE A 82 1089 1290 1017 -284 -22 166 C ATOM 1237 O PHE A 82 3.631 -19.837 37.958 1.00 10.04 O ANISOU 1237 O PHE A 82 1293 1356 1165 -266 -19 167 O ATOM 1238 CB PHE A 82 5.369 -22.083 39.888 1.00 10.73 C ANISOU 1238 CB PHE A 82 1219 1668 1193 -159 26 268 C ATOM 1239 CG PHE A 82 5.383 -22.827 38.577 1.00 10.59 C ANISOU 1239 CG PHE A 82 1275 1555 1194 -104 109 285 C ATOM 1240 CD1 PHE A 82 4.474 -23.831 38.338 1.00 10.21 C ANISOU 1240 CD1 PHE A 82 1310 1412 1157 -67 164 248 C ATOM 1241 CD2 PHE A 82 6.294 -22.501 37.576 1.00 11.28 C ANISOU 1241 CD2 PHE A 82 1349 1656 1280 -113 143 318 C ATOM 1242 CE1 PHE A 82 4.470 -24.508 37.128 1.00 10.91 C ANISOU 1242 CE1 PHE A 82 1475 1430 1241 -62 261 216 C ATOM 1243 CE2 PHE A 82 6.289 -23.165 36.359 1.00 11.84 C ANISOU 1243 CE2 PHE A 82 1492 1662 1343 -83 233 307 C ATOM 1244 CZ PHE A 82 5.381 -24.155 36.144 1.00 12.06 C ANISOU 1244 CZ PHE A 82 1609 1605 1368 -69 294 242 C ATOM 1245 H PHE A 82 2.723 -21.709 39.221 1.00 11.42 H ATOM 1246 HA PHE A 82 4.539 -20.417 40.762 1.00 11.41 H ATOM 1247 HB2 PHE A 82 6.261 -21.733 40.037 1.00 12.88 H ATOM 1248 HB3 PHE A 82 5.146 -22.719 40.585 1.00 12.88 H ATOM 1249 HD1 PHE A 82 3.857 -24.060 38.995 1.00 12.25 H ATOM 1250 HD2 PHE A 82 6.907 -21.816 37.721 1.00 13.53 H ATOM 1251 HE1 PHE A 82 3.853 -25.186 36.973 1.00 13.09 H ATOM 1252 HE2 PHE A 82 6.904 -22.940 35.699 1.00 14.20 H ATOM 1253 HZ PHE A 82 5.384 -24.613 35.335 1.00 14.47 H ATOM 1254 N ALA A 83 5.626 -19.234 38.717 1.00 9.91 N ANISOU 1254 N ALA A 83 1151 1464 1150 -347 -13 181 N ATOM 1255 CA ALA A 83 5.916 -18.363 37.584 1.00 10.94 C ANISOU 1255 CA ALA A 83 1303 1530 1324 -376 19 213 C ATOM 1256 C ALA A 83 7.032 -18.985 36.760 1.00 10.87 C ANISOU 1256 C ALA A 83 1253 1595 1283 -336 56 291 C ATOM 1257 O ALA A 83 8.020 -19.475 37.303 1.00 11.65 O ANISOU 1257 O ALA A 83 1263 1811 1354 -328 62 328 O ATOM 1258 CB ALA A 83 6.324 -16.990 38.062 1.00 11.26 C ANISOU 1258 CB ALA A 83 1315 1537 1426 -500 39 159 C ATOM 1259 H ALA A 83 6.236 -19.237 39.324 1.00 11.89 H ATOM 1260 HA ALA A 83 5.127 -18.278 37.026 1.00 13.13 H ATOM 1261 HB1 ALA A 83 6.511 -16.431 37.292 1.00 13.51 H ATOM 1262 HB2 ALA A 83 5.598 -16.608 38.580 1.00 13.51 H ATOM 1263 HB3 ALA A 83 7.118 -17.071 38.613 1.00 13.51 H ATOM 1264 N ILE A 84 6.873 -18.968 35.435 1.00 10.59 N ANISOU 1264 N ILE A 84 1265 1518 1238 -304 90 334 N ATOM 1265 CA ILE A 84 7.805 -19.695 34.568 1.00 12.20 C ANISOU 1265 CA ILE A 84 1451 1782 1404 -255 152 391 C ATOM 1266 C ILE A 84 9.208 -19.085 34.516 1.00 11.80 C ANISOU 1266 C ILE A 84 1303 1803 1378 -298 173 454 C ATOM 1267 O ILE A 84 10.135 -19.687 33.948 1.00 13.32 O ANISOU 1267 O ILE A 84 1457 2058 1547 -245 237 519 O ATOM 1268 CB ILE A 84 7.262 -19.888 33.123 1.00 13.47 C ANISOU 1268 CB ILE A 84 1681 1932 1507 -236 188 400 C ATOM 1269 CG1 ILE A 84 7.059 -18.550 32.406 1.00 15.15 C ANISOU 1269 CG1 ILE A 84 1882 2132 1742 -276 173 467 C ATOM 1270 CG2 ILE A 84 5.973 -20.675 33.150 1.00 13.40 C ANISOU 1270 CG2 ILE A 84 1744 1898 1449 -225 175 325 C ATOM 1271 CD1 ILE A 84 7.191 -18.612 30.915 1.00 27.03 C ANISOU 1271 CD1 ILE A 84 3393 3716 3162 -265 220 528 C ATOM 1272 H ILE A 84 6.246 -18.551 35.019 1.00 12.70 H ATOM 1273 HA ILE A 84 7.909 -20.584 34.941 1.00 14.64 H ATOM 1274 HB ILE A 84 7.917 -20.400 32.623 1.00 16.17 H ATOM 1275 HG12 ILE A 84 6.168 -18.223 32.608 1.00 18.18 H ATOM 1276 HG13 ILE A 84 7.720 -17.920 32.733 1.00 18.18 H ATOM 1277 HG21 ILE A 84 5.652 -20.784 32.241 1.00 16.08 H ATOM 1278 HG22 ILE A 84 6.142 -21.544 33.548 1.00 16.08 H ATOM 1279 HG23 ILE A 84 5.319 -20.191 33.677 1.00 16.08 H ATOM 1280 HD11 ILE A 84 7.047 -17.725 30.549 1.00 32.44 H ATOM 1281 HD12 ILE A 84 8.082 -18.923 30.690 1.00 32.44 H ATOM 1282 HD13 ILE A 84 6.527 -19.226 30.564 1.00 32.44 H ATOM 1283 N ASN A 85 9.352 -17.885 35.075 1.00 13.05 N ANISOU 1283 N ASN A 85 1424 1944 1589 -404 141 428 N ATOM 1284 CA ASN A 85 10.663 -17.244 35.193 1.00 14.66 C ANISOU 1284 CA ASN A 85 1521 2237 1812 -494 160 463 C ATOM 1285 C ASN A 85 11.220 -17.269 36.618 1.00 15.89 C ANISOU 1285 C ASN A 85 1565 2541 1933 -582 114 416 C ATOM 1286 O ASN A 85 12.082 -16.466 36.950 1.00 17.76 O ANISOU 1286 O ASN A 85 1708 2865 2176 -726 117 395 O ATOM 1287 CB ASN A 85 10.588 -15.793 34.703 1.00 15.26 C ANISOU 1287 CB ASN A 85 1626 2192 1980 -594 200 457 C ATOM 1288 CG ASN A 85 9.685 -14.937 35.551 1.00 18.90 C ANISOU 1288 CG ASN A 85 2142 2526 2512 -675 199 351 C ATOM 1289 OD1 ASN A 85 8.923 -15.430 36.379 1.00 16.35 O ANISOU 1289 OD1 ASN A 85 1849 2209 2154 -647 150 281 O ATOM 1290 ND2 ASN A 85 9.766 -13.639 35.360 1.00 21.50 N ANISOU 1290 ND2 ASN A 85 2489 2722 2957 -774 282 341 N ATOM 1291 H ASN A 85 8.704 -17.419 35.396 1.00 15.65 H ATOM 1292 HA ASN A 85 11.291 -17.716 34.624 1.00 17.59 H ATOM 1293 HB2 ASN A 85 11.477 -15.405 34.727 1.00 18.31 H ATOM 1294 HB3 ASN A 85 10.246 -15.783 33.796 1.00 18.31 H ATOM 1295 HD21 ASN A 85 9.272 -13.105 35.818 1.00 25.80 H ATOM 1296 HD22 ASN A 85 10.314 -13.324 34.776 1.00 25.80 H ATOM 1297 N ASN A 86 10.731 -18.169 37.466 1.00 14.53 N ANISOU 1297 N ASN A 86 1387 2423 1709 -514 77 402 N ATOM 1298 CA ASN A 86 11.143 -18.209 38.862 1.00 15.47 C ANISOU 1298 CA ASN A 86 1380 2739 1758 -596 26 377 C ATOM 1299 C ASN A 86 11.228 -19.660 39.342 1.00 13.91 C ANISOU 1299 C ASN A 86 1118 2663 1505 -436 32 495 C ATOM 1300 O ASN A 86 10.234 -20.279 39.723 1.00 13.64 O ANISOU 1300 O ASN A 86 1161 2546 1474 -357 25 469 O ATOM 1301 CB ASN A 86 10.178 -17.361 39.683 1.00 16.25 C ANISOU 1301 CB ASN A 86 1550 2750 1875 -716 -5 214 C ATOM 1302 CG ASN A 86 10.483 -17.394 41.160 1.00 20.42 C ANISOU 1302 CG ASN A 86 1950 3517 2291 -827 -58 158 C ATOM 1303 OD1 ASN A 86 11.342 -18.135 41.618 1.00 20.37 O ANISOU 1303 OD1 ASN A 86 1783 3771 2187 -791 -85 278 O ATOM 1304 ND2 ASN A 86 9.716 -16.633 41.932 1.00 25.18 N ANISOU 1304 ND2 ASN A 86 2616 4051 2900 -951 -60 -10 N ATOM 1305 H ASN A 86 10.154 -18.771 37.254 1.00 17.43 H ATOM 1306 HA ASN A 86 12.027 -17.816 38.941 1.00 18.56 H ATOM 1307 HB2 ASN A 86 10.235 -16.440 39.385 1.00 19.50 H ATOM 1308 HB3 ASN A 86 9.277 -17.696 39.555 1.00 19.50 H ATOM 1309 HD21 ASN A 86 9.845 -16.613 42.782 1.00 30.21 H ATOM 1310 HD22 ASN A 86 9.089 -16.160 41.581 1.00 30.21 H ATOM 1311 N THR A 87 12.425 -20.225 39.247 1.00 14.56 N ANISOU 1311 N THR A 87 1192 2613 1727 -402 152 180 N ATOM 1312 CA THR A 87 12.654 -21.629 39.578 1.00 14.73 C ANISOU 1312 CA THR A 87 1140 2711 1747 -291 100 201 C ATOM 1313 C THR A 87 12.291 -21.951 41.018 1.00 14.55 C ANISOU 1313 C THR A 87 1150 2677 1702 -351 29 170 C ATOM 1314 O THR A 87 11.708 -23.000 41.296 1.00 15.78 O ANISOU 1314 O THR A 87 1331 2797 1867 -241 12 153 O ATOM 1315 CB THR A 87 14.106 -22.028 39.275 1.00 16.47 C ANISOU 1315 CB THR A 87 1186 3101 1971 -259 108 312 C ATOM 1316 OG1 THR A 87 14.283 -22.003 37.856 1.00 21.59 O ANISOU 1316 OG1 THR A 87 1833 3738 2633 -160 195 330 O ATOM 1317 CG2 THR A 87 14.435 -23.432 39.784 1.00 23.14 C ANISOU 1317 CG2 THR A 87 1952 4013 2825 -123 98 377 C ATOM 1318 H THR A 87 13.133 -19.811 38.988 1.00 17.47 H ATOM 1319 HA THR A 87 12.083 -22.171 39.011 1.00 17.68 H ATOM 1320 HB THR A 87 14.713 -21.396 39.692 1.00 19.76 H ATOM 1321 HG1 THR A 87 15.071 -22.218 37.661 1.00 25.91 H ATOM 1322 HG21 THR A 87 15.356 -23.652 39.577 1.00 27.76 H ATOM 1323 HG22 THR A 87 14.308 -23.474 40.745 1.00 27.76 H ATOM 1324 HG23 THR A 87 13.852 -24.082 39.361 1.00 27.76 H ATOM 1325 N LYS A 88 12.589 -21.035 41.922 1.00 14.81 N ANISOU 1325 N LYS A 88 1206 2730 1691 -547 0 154 N ATOM 1326 CA LYS A 88 12.241 -21.226 43.313 1.00 14.58 C ANISOU 1326 CA LYS A 88 1231 2696 1613 -633 -60 118 C ATOM 1327 C LYS A 88 10.737 -21.435 43.470 1.00 14.47 C ANISOU 1327 C LYS A 88 1366 2500 1631 -532 -23 43 C ATOM 1328 O LYS A 88 10.304 -22.293 44.233 1.00 13.54 O ANISOU 1328 O LYS A 88 1254 2384 1506 -477 -69 37 O ATOM 1329 CB LYS A 88 12.718 -20.033 44.153 1.00 18.45 C ANISOU 1329 CB LYS A 88 1788 3209 2015 -916 -68 81 C ATOM 1330 CG LYS A 88 12.335 -20.118 45.632 1.00 19.07 C ANISOU 1330 CG LYS A 88 1959 3280 2006 -1043 -117 28 C ATOM 1331 CD LYS A 88 13.219 -21.076 46.412 1.00 34.53 C ANISOU 1331 CD LYS A 88 3723 5497 3901 -1069 -251 138 C ATOM 1332 CE LYS A 88 13.646 -20.460 47.744 1.00 39.53 C ANISOU 1332 CE LYS A 88 4451 6196 4372 -1324 -295 114 C ATOM 1333 NZ LYS A 88 14.726 -19.430 47.587 1.00 47.98 N ANISOU 1333 NZ LYS A 88 5530 7344 5356 -1522 -286 136 N ATOM 1334 H LYS A 88 12.993 -20.294 41.755 1.00 17.77 H ATOM 1335 HA LYS A 88 12.688 -22.021 43.642 1.00 17.50 H ATOM 1336 HB2 LYS A 88 13.685 -19.982 44.101 1.00 22.15 H ATOM 1337 HB3 LYS A 88 12.327 -19.222 43.793 1.00 22.15 H ATOM 1338 HG2 LYS A 88 12.420 -19.238 46.032 1.00 22.88 H ATOM 1339 HG3 LYS A 88 11.419 -20.428 45.704 1.00 22.88 H ATOM 1340 HD2 LYS A 88 12.727 -21.892 46.595 1.00 41.44 H ATOM 1341 HD3 LYS A 88 14.016 -21.271 45.895 1.00 41.44 H ATOM 1342 HE2 LYS A 88 12.879 -20.030 48.154 1.00 47.43 H ATOM 1343 HE3 LYS A 88 13.983 -21.162 48.323 1.00 47.43 H ATOM 1344 HZ1 LYS A 88 14.947 -19.096 48.382 1.00 57.58 H ATOM 1345 HZ2 LYS A 88 15.447 -19.799 47.218 1.00 57.58 H ATOM 1346 HZ3 LYS A 88 14.442 -18.768 47.064 1.00 57.58 H ATOM 1347 N SER A 89 9.941 -20.644 42.757 1.00 12.90 N ANISOU 1347 N SER A 89 1268 2163 1468 -503 68 17 N ATOM 1348 CA SER A 89 8.489 -20.783 42.860 1.00 12.00 C ANISOU 1348 CA SER A 89 1255 1920 1386 -406 108 -3 C ATOM 1349 C SER A 89 8.015 -22.144 42.379 1.00 12.17 C ANISOU 1349 C SER A 89 1215 1984 1426 -258 54 11 C ATOM 1350 O SER A 89 7.028 -22.694 42.894 1.00 10.60 O ANISOU 1350 O SER A 89 1061 1733 1233 -210 39 -1 O ATOM 1351 CB SER A 89 7.744 -19.651 42.142 1.00 12.17 C ANISOU 1351 CB SER A 89 1358 1821 1444 -380 234 29 C ATOM 1352 OG SER A 89 7.734 -19.775 40.725 1.00 11.92 O ANISOU 1352 OG SER A 89 1245 1850 1433 -285 241 86 O ATOM 1353 H SER A 89 10.208 -20.031 42.216 1.00 15.47 H ATOM 1354 HA SER A 89 8.253 -20.721 43.799 1.00 14.40 H ATOM 1355 HB2 SER A 89 6.825 -19.643 42.454 1.00 14.60 H ATOM 1356 HB3 SER A 89 8.169 -18.810 42.372 1.00 14.60 H ATOM 1357 HG SER A 89 8.521 -19.774 40.432 1.00 14.30 H ATOM 1358 N PHE A 90 8.705 -22.685 41.375 1.00 11.94 N ANISOU 1358 N PHE A 90 1102 2037 1398 -197 45 35 N ATOM 1359 CA PHE A 90 8.414 -24.032 40.898 1.00 11.77 C ANISOU 1359 CA PHE A 90 1073 2028 1373 -90 31 27 C ATOM 1360 C PHE A 90 8.819 -25.091 41.951 1.00 11.96 C ANISOU 1360 C PHE A 90 1068 2076 1400 -56 -7 32 C ATOM 1361 O PHE A 90 8.080 -26.023 42.252 1.00 11.81 O ANISOU 1361 O PHE A 90 1101 2001 1383 -6 -15 8 O ATOM 1362 CB PHE A 90 9.114 -24.288 39.563 1.00 12.52 C ANISOU 1362 CB PHE A 90 1127 2177 1453 -36 78 46 C ATOM 1363 CG PHE A 90 8.873 -25.653 39.038 1.00 11.51 C ANISOU 1363 CG PHE A 90 1052 2024 1297 43 109 14 C ATOM 1364 CD1 PHE A 90 7.627 -26.007 38.532 1.00 12.27 C ANISOU 1364 CD1 PHE A 90 1235 2082 1346 16 99 -28 C ATOM 1365 CD2 PHE A 90 9.863 -26.599 39.076 1.00 14.27 C ANISOU 1365 CD2 PHE A 90 1372 2390 1661 132 166 42 C ATOM 1366 CE1 PHE A 90 7.391 -27.293 38.044 1.00 13.13 C ANISOU 1366 CE1 PHE A 90 1440 2148 1401 33 143 -84 C ATOM 1367 CE2 PHE A 90 9.632 -27.875 38.602 1.00 16.03 C ANISOU 1367 CE2 PHE A 90 1701 2535 1853 199 248 -1 C ATOM 1368 CZ PHE A 90 8.385 -28.220 38.087 1.00 15.94 C ANISOU 1368 CZ PHE A 90 1817 2465 1776 126 234 -85 C ATOM 1369 H PHE A 90 9.346 -22.293 40.956 1.00 14.33 H ATOM 1370 HA PHE A 90 7.458 -24.111 40.752 1.00 14.13 H ATOM 1371 HB2 PHE A 90 8.785 -23.652 38.908 1.00 15.02 H ATOM 1372 HB3 PHE A 90 10.070 -24.177 39.682 1.00 15.02 H ATOM 1373 HD1 PHE A 90 6.946 -25.374 38.504 1.00 14.73 H ATOM 1374 HD2 PHE A 90 10.699 -26.378 39.420 1.00 17.13 H ATOM 1375 HE1 PHE A 90 6.555 -27.518 37.704 1.00 15.75 H ATOM 1376 HE2 PHE A 90 10.314 -28.508 38.626 1.00 19.23 H ATOM 1377 HZ PHE A 90 8.236 -29.079 37.765 1.00 19.13 H ATOM 1378 N GLU A 91 10.010 -24.955 42.497 1.00 11.92 N ANISOU 1378 N GLU A 91 965 2176 1390 -92 -30 88 N ATOM 1379 CA GLU A 91 10.431 -25.905 43.519 1.00 13.62 C ANISOU 1379 CA GLU A 91 1118 2453 1602 -48 -64 144 C ATOM 1380 C GLU A 91 9.509 -25.874 44.731 1.00 14.79 C ANISOU 1380 C GLU A 91 1347 2541 1730 -108 -115 97 C ATOM 1381 O GLU A 91 9.299 -26.896 45.364 1.00 13.40 O ANISOU 1381 O GLU A 91 1170 2357 1563 -33 -124 123 O ATOM 1382 CB GLU A 91 11.878 -25.639 43.910 1.00 17.10 C ANISOU 1382 CB GLU A 91 1393 3084 2019 -106 -98 259 C ATOM 1383 CG GLU A 91 12.870 -26.002 42.812 1.00 22.20 C ANISOU 1383 CG GLU A 91 1933 3801 2699 11 -19 349 C ATOM 1384 CD GLU A 91 12.838 -27.490 42.442 1.00 32.74 C ANISOU 1384 CD GLU A 91 3294 5064 4079 225 89 390 C ATOM 1385 OE1 GLU A 91 12.923 -27.815 41.230 1.00 38.04 O ANISOU 1385 OE1 GLU A 91 4022 5663 4767 321 200 367 O ATOM 1386 OE2 GLU A 91 12.744 -28.331 43.368 1.00 39.30 O ANISOU 1386 OE2 GLU A 91 4109 5904 4921 290 81 446 O ATOM 1387 H GLU A 91 10.583 -24.343 42.306 1.00 14.31 H ATOM 1388 HA GLU A 91 10.390 -26.799 43.144 1.00 16.34 H ATOM 1389 HB2 GLU A 91 11.982 -24.695 44.107 1.00 20.51 H ATOM 1390 HB3 GLU A 91 12.094 -26.166 44.695 1.00 20.51 H ATOM 1391 HG2 GLU A 91 12.659 -25.491 42.015 1.00 26.63 H ATOM 1392 HG3 GLU A 91 13.766 -25.789 43.114 1.00 26.63 H ATOM 1393 N ASP A 92 8.927 -24.721 45.023 1.00 12.68 N ANISOU 1393 N ASP A 92 1166 2211 1440 -227 -118 37 N ATOM 1394 CA ASP A 92 8.000 -24.625 46.135 1.00 12.94 C ANISOU 1394 CA ASP A 92 1298 2167 1451 -271 -130 -4 C ATOM 1395 C ASP A 92 6.755 -25.500 45.918 1.00 12.44 C ANISOU 1395 C ASP A 92 1288 2004 1433 -151 -112 -21 C ATOM 1396 O ASP A 92 6.055 -25.802 46.885 1.00 11.83 O ANISOU 1396 O ASP A 92 1264 1883 1349 -152 -124 -30 O ATOM 1397 CB ASP A 92 7.528 -23.188 46.299 1.00 13.08 C ANISOU 1397 CB ASP A 92 1436 2085 1448 -387 -66 -55 C ATOM 1398 CG ASP A 92 8.541 -22.273 46.923 1.00 14.98 C ANISOU 1398 CG ASP A 92 1690 2396 1606 -588 -78 -71 C ATOM 1399 OD1 ASP A 92 9.561 -22.728 47.475 1.00 16.70 O ANISOU 1399 OD1 ASP A 92 1793 2788 1764 -659 -169 -22 O ATOM 1400 OD2 ASP A 92 8.272 -21.051 46.886 1.00 17.55 O ANISOU 1400 OD2 ASP A 92 2149 2602 1917 -689 19 -120 O ATOM 1401 H ASP A 92 9.051 -23.985 44.596 1.00 15.21 H ATOM 1402 HA ASP A 92 8.439 -24.905 46.954 1.00 15.52 H ATOM 1403 HB2 ASP A 92 7.308 -22.831 45.424 1.00 15.70 H ATOM 1404 HB3 ASP A 92 6.739 -23.182 46.863 1.00 15.70 H ATOM 1405 N ILE A 93 6.434 -25.850 44.680 1.00 11.65 N ANISOU 1405 N ILE A 93 1184 1881 1363 -80 -83 -23 N ATOM 1406 CA ILE A 93 5.278 -26.677 44.418 1.00 10.79 C ANISOU 1406 CA ILE A 93 1123 1710 1265 -30 -78 -37 C ATOM 1407 C ILE A 93 5.365 -28.019 45.175 1.00 10.88 C ANISOU 1407 C ILE A 93 1144 1706 1285 25 -90 -34 C ATOM 1408 O ILE A 93 4.346 -28.518 45.634 1.00 11.25 O ANISOU 1408 O ILE A 93 1242 1697 1338 27 -98 -42 O ATOM 1409 CB ILE A 93 5.084 -26.914 42.896 1.00 11.49 C ANISOU 1409 CB ILE A 93 1217 1812 1336 -16 -52 -47 C ATOM 1410 CG1 ILE A 93 4.825 -25.585 42.166 1.00 11.05 C ANISOU 1410 CG1 ILE A 93 1141 1780 1278 -51 -30 -13 C ATOM 1411 CG2 ILE A 93 3.956 -27.907 42.641 1.00 11.57 C ANISOU 1411 CG2 ILE A 93 1285 1790 1323 -29 -59 -66 C ATOM 1412 CD1 ILE A 93 3.519 -24.888 42.475 1.00 12.64 C ANISOU 1412 CD1 ILE A 93 1360 1950 1495 -59 -12 43 C ATOM 1413 H ILE A 93 6.873 -25.619 43.977 1.00 13.98 H ATOM 1414 HA ILE A 93 4.490 -26.212 44.741 1.00 12.94 H ATOM 1415 HB ILE A 93 5.904 -27.294 42.544 1.00 13.79 H ATOM 1416 HG12 ILE A 93 5.539 -24.970 42.394 1.00 13.26 H ATOM 1417 HG13 ILE A 93 4.840 -25.755 41.212 1.00 13.26 H ATOM 1418 HG21 ILE A 93 3.858 -28.035 41.684 1.00 13.89 H ATOM 1419 HG22 ILE A 93 4.176 -28.750 43.067 1.00 13.89 H ATOM 1420 HG23 ILE A 93 3.133 -27.553 43.014 1.00 13.89 H ATOM 1421 HD11 ILE A 93 3.470 -24.068 41.960 1.00 15.17 H ATOM 1422 HD12 ILE A 93 2.785 -25.474 42.236 1.00 15.17 H ATOM 1423 HD13 ILE A 93 3.486 -24.686 43.423 1.00 15.17 H ATOM 1424 N HIS A 94 6.569 -28.577 45.290 1.00 10.65 N ANISOU 1424 N HIS A 94 1053 1734 1260 80 -77 7 N ATOM 1425 CA HIS A 94 6.724 -29.817 46.041 1.00 11.59 C ANISOU 1425 CA HIS A 94 1172 1835 1397 163 -57 51 C ATOM 1426 C HIS A 94 6.175 -29.655 47.459 1.00 12.75 C ANISOU 1426 C HIS A 94 1328 1988 1528 118 -117 62 C ATOM 1427 O HIS A 94 5.493 -30.544 47.983 1.00 12.64 O ANISOU 1427 O HIS A 94 1367 1904 1531 160 -102 65 O ATOM 1428 CB HIS A 94 8.203 -30.233 46.138 1.00 13.02 C ANISOU 1428 CB HIS A 94 1234 2122 1589 252 -22 163 C ATOM 1429 CG HIS A 94 8.866 -30.502 44.821 1.00 13.18 C ANISOU 1429 CG HIS A 94 1255 2126 1628 327 77 170 C ATOM 1430 ND1 HIS A 94 8.651 -31.649 44.080 1.00 14.24 N ANISOU 1430 ND1 HIS A 94 1508 2123 1779 419 208 139 N ATOM 1431 CD2 HIS A 94 9.783 -29.780 44.133 1.00 14.80 C ANISOU 1431 CD2 HIS A 94 1370 2428 1826 313 82 206 C ATOM 1432 CE1 HIS A 94 9.396 -31.611 42.989 1.00 15.60 C ANISOU 1432 CE1 HIS A 94 1675 2305 1948 469 298 150 C ATOM 1433 NE2 HIS A 94 10.087 -30.487 42.998 1.00 16.91 N ANISOU 1433 NE2 HIS A 94 1698 2620 2107 417 217 200 N ATOM 1434 H HIS A 94 7.295 -28.265 44.951 1.00 12.78 H ATOM 1435 HA HIS A 94 6.233 -30.527 45.599 1.00 13.91 H ATOM 1436 HB2 HIS A 94 8.697 -29.521 46.575 1.00 15.62 H ATOM 1437 HB3 HIS A 94 8.263 -31.043 46.668 1.00 15.62 H ATOM 1438 HD1 HIS A 94 8.116 -32.287 44.295 1.00 17.09 H ATOM 1439 HD2 HIS A 94 10.134 -28.955 44.380 1.00 17.76 H ATOM 1440 HE1 HIS A 94 9.421 -32.261 42.325 1.00 18.72 H ATOM 1441 N HIS A 95 6.514 -28.528 48.078 1.00 12.41 N ANISOU 1441 N HIS A 95 1254 2022 1439 16 -169 64 N ATOM 1442 CA HIS A 95 6.044 -28.214 49.412 1.00 12.94 C ANISOU 1442 CA HIS A 95 1366 2092 1460 -55 -205 57 C ATOM 1443 C HIS A 95 4.528 -28.021 49.472 1.00 10.60 C ANISOU 1443 C HIS A 95 1180 1659 1190 -53 -170 4 C ATOM 1444 O HIS A 95 3.876 -28.537 50.383 1.00 11.53 O ANISOU 1444 O HIS A 95 1336 1742 1304 -32 -172 16 O ATOM 1445 CB HIS A 95 6.729 -26.943 49.875 1.00 14.21 C ANISOU 1445 CB HIS A 95 1524 2337 1539 -214 -236 42 C ATOM 1446 CG HIS A 95 6.062 -26.300 51.042 1.00 23.05 C ANISOU 1446 CG HIS A 95 2766 3403 2589 -322 -226 -8 C ATOM 1447 ND1 HIS A 95 6.112 -26.835 52.308 1.00 26.82 N ANISOU 1447 ND1 HIS A 95 3239 3952 2997 -350 -272 30 N ATOM 1448 CD2 HIS A 95 5.324 -25.169 51.136 1.00 28.28 C ANISOU 1448 CD2 HIS A 95 3574 3936 3235 -396 -144 -80 C ATOM 1449 CE1 HIS A 95 5.434 -26.060 53.137 1.00 27.50 C ANISOU 1449 CE1 HIS A 95 3480 3954 3016 -454 -224 -39 C ATOM 1450 NE2 HIS A 95 4.942 -25.043 52.447 1.00 30.08 N ANISOU 1450 NE2 HIS A 95 3906 4142 3381 -473 -130 -103 N ATOM 1451 H HIS A 95 7.023 -27.924 47.738 1.00 14.89 H ATOM 1452 HA HIS A 95 6.286 -28.932 50.017 1.00 15.53 H ATOM 1453 HB2 HIS A 95 7.640 -27.154 50.132 1.00 17.06 H ATOM 1454 HB3 HIS A 95 6.732 -26.304 49.145 1.00 17.06 H ATOM 1455 HD1 HIS A 95 6.521 -27.560 52.526 1.00 32.18 H ATOM 1456 HD2 HIS A 95 5.113 -24.588 50.441 1.00 33.93 H ATOM 1457 HE1 HIS A 95 5.319 -26.207 54.048 1.00 33.00 H ATOM 1458 N TYR A 96 3.961 -27.267 48.519 1.00 10.73 N ANISOU 1458 N TYR A 96 1227 1618 1231 -65 -131 -25 N ATOM 1459 CA TYR A 96 2.509 -27.111 48.536 1.00 11.06 C ANISOU 1459 CA TYR A 96 1324 1577 1301 -45 -90 -15 C ATOM 1460 C TYR A 96 1.773 -28.442 48.389 1.00 10.57 C ANISOU 1460 C TYR A 96 1254 1497 1267 4 -110 0 C ATOM 1461 O TYR A 96 0.774 -28.686 49.059 1.00 11.96 O ANISOU 1461 O TYR A 96 1456 1632 1454 13 -98 28 O ATOM 1462 CB TYR A 96 2.033 -26.092 47.493 1.00 12.02 C ANISOU 1462 CB TYR A 96 1444 1681 1444 -49 -37 7 C ATOM 1463 CG TYR A 96 2.441 -24.692 47.800 1.00 10.48 C ANISOU 1463 CG TYR A 96 1311 1442 1228 -106 34 -7 C ATOM 1464 CD1 TYR A 96 1.863 -23.998 48.851 1.00 12.47 C ANISOU 1464 CD1 TYR A 96 1674 1600 1465 -127 123 -6 C ATOM 1465 CD2 TYR A 96 3.396 -24.039 47.041 1.00 12.31 C ANISOU 1465 CD2 TYR A 96 1518 1709 1450 -151 39 -25 C ATOM 1466 CE1 TYR A 96 2.223 -22.711 49.146 1.00 13.44 C ANISOU 1466 CE1 TYR A 96 1913 1641 1553 -209 229 -39 C ATOM 1467 CE2 TYR A 96 3.769 -22.739 47.329 1.00 13.53 C ANISOU 1467 CE2 TYR A 96 1761 1800 1578 -237 124 -49 C ATOM 1468 CZ TYR A 96 3.190 -22.077 48.385 1.00 14.20 C ANISOU 1468 CZ TYR A 96 1988 1768 1637 -276 226 -65 C ATOM 1469 OH TYR A 96 3.561 -20.791 48.676 1.00 16.08 O ANISOU 1469 OH TYR A 96 2372 1905 1834 -392 349 -109 O ATOM 1470 H TYR A 96 4.373 -26.858 47.885 1.00 12.87 H ATOM 1471 HA TYR A 96 2.263 -26.754 49.404 1.00 13.27 H ATOM 1472 HB2 TYR A 96 2.407 -26.329 46.630 1.00 14.43 H ATOM 1473 HB3 TYR A 96 1.064 -26.117 47.450 1.00 14.43 H ATOM 1474 HD1 TYR A 96 1.218 -24.418 49.372 1.00 14.97 H ATOM 1475 HD2 TYR A 96 3.797 -24.483 46.330 1.00 14.77 H ATOM 1476 HE1 TYR A 96 1.828 -22.267 49.861 1.00 16.13 H ATOM 1477 HE2 TYR A 96 4.418 -22.316 46.815 1.00 16.23 H ATOM 1478 HH TYR A 96 3.126 -20.509 49.337 1.00 19.30 H ATOM 1479 N ARG A 97 2.233 -29.297 47.486 1.00 12.01 N ANISOU 1479 N ARG A 97 1417 1692 1453 23 -118 -19 N ATOM 1480 CA ARG A 97 1.599 -30.579 47.266 1.00 11.74 C ANISOU 1480 CA ARG A 97 1424 1610 1426 27 -108 -28 C ATOM 1481 C ARG A 97 1.641 -31.400 48.551 1.00 13.28 C ANISOU 1481 C ARG A 97 1640 1766 1639 76 -103 -4 C ATOM 1482 O ARG A 97 0.623 -31.945 49.012 1.00 12.18 O ANISOU 1482 O ARG A 97 1536 1581 1512 59 -99 11 O ATOM 1483 CB ARG A 97 2.305 -31.332 46.137 1.00 13.57 C ANISOU 1483 CB ARG A 97 1688 1826 1642 35 -66 -70 C ATOM 1484 CG ARG A 97 1.745 -32.710 45.858 1.00 13.28 C ANISOU 1484 CG ARG A 97 1755 1700 1591 2 -16 -107 C ATOM 1485 CD ARG A 97 0.356 -32.651 45.229 1.00 13.88 C ANISOU 1485 CD ARG A 97 1847 1812 1616 -141 -60 -115 C ATOM 1486 NE ARG A 97 -0.166 -33.989 44.970 1.00 16.20 N ANISOU 1486 NE ARG A 97 2268 2018 1869 -236 -10 -168 N ATOM 1487 CZ ARG A 97 -1.424 -34.274 44.631 1.00 30.24 C ANISOU 1487 CZ ARG A 97 4060 3844 3584 -403 -55 -162 C ATOM 1488 NH1 ARG A 97 -2.306 -33.308 44.407 1.00 24.29 N ANISOU 1488 NH1 ARG A 97 3172 3247 2809 -460 -145 -72 N ATOM 1489 NH2 ARG A 97 -1.797 -35.535 44.480 1.00 35.07 N ANISOU 1489 NH2 ARG A 97 4821 4355 4149 -523 7 -227 N ATOM 1490 H ARG A 97 2.918 -29.154 46.986 1.00 14.41 H ATOM 1491 HA ARG A 97 0.671 -30.444 47.016 1.00 14.08 H ATOM 1492 HB2 ARG A 97 2.228 -30.812 45.321 1.00 16.29 H ATOM 1493 HB3 ARG A 97 3.241 -31.436 46.371 1.00 16.29 H ATOM 1494 HG2 ARG A 97 2.335 -33.174 45.244 1.00 15.94 H ATOM 1495 HG3 ARG A 97 1.678 -33.200 46.692 1.00 15.94 H ATOM 1496 HD2 ARG A 97 -0.252 -32.199 45.835 1.00 16.66 H ATOM 1497 HD3 ARG A 97 0.406 -32.175 44.386 1.00 16.66 H ATOM 1498 HE ARG A 97 0.383 -34.648 45.041 1.00 19.44 H ATOM 1499 HH11 ARG A 97 -2.080 -32.485 44.515 1.00 29.15 H ATOM 1500 HH12 ARG A 97 -3.111 -33.505 44.175 1.00 29.15 H ATOM 1501 HH21 ARG A 97 -1.229 -36.169 44.603 1.00 42.09 H ATOM 1502 HH22 ARG A 97 -2.598 -35.719 44.228 1.00 42.09 H ATOM 1503 N GLU A 98 2.819 -31.507 49.148 1.00 12.25 N ANISOU 1503 N GLU A 98 1470 1679 1506 133 -103 27 N ATOM 1504 CA GLU A 98 2.980 -32.206 50.406 1.00 11.81 C ANISOU 1504 CA GLU A 98 1408 1628 1453 186 -103 86 C ATOM 1505 C GLU A 98 2.103 -31.623 51.518 1.00 12.01 C ANISOU 1505 C GLU A 98 1460 1652 1452 136 -135 89 C ATOM 1506 O GLU A 98 1.408 -32.353 52.231 1.00 12.72 O ANISOU 1506 O GLU A 98 1584 1691 1557 163 -119 117 O ATOM 1507 CB GLU A 98 4.445 -32.130 50.803 1.00 13.65 C ANISOU 1507 CB GLU A 98 1541 1985 1660 229 -120 163 C ATOM 1508 CG GLU A 98 4.785 -32.617 52.181 1.00 16.38 C ANISOU 1508 CG GLU A 98 1839 2410 1976 267 -142 265 C ATOM 1509 CD GLU A 98 6.146 -32.108 52.602 1.00 18.65 C ANISOU 1509 CD GLU A 98 1988 2903 2194 236 -202 359 C ATOM 1510 OE1 GLU A 98 6.239 -30.990 53.168 1.00 23.75 O ANISOU 1510 OE1 GLU A 98 2637 3640 2748 84 -278 320 O ATOM 1511 OE2 GLU A 98 7.135 -32.819 52.347 1.00 17.82 O ANISOU 1511 OE2 GLU A 98 1778 2873 2122 352 -157 485 O ATOM 1512 H GLU A 98 3.550 -31.177 48.837 1.00 14.70 H ATOM 1513 HA GLU A 98 2.743 -33.139 50.288 1.00 14.17 H ATOM 1514 HB2 GLU A 98 4.958 -32.662 50.175 1.00 16.38 H ATOM 1515 HB3 GLU A 98 4.728 -31.204 50.747 1.00 16.38 H ATOM 1516 HG2 GLU A 98 4.126 -32.288 52.812 1.00 19.66 H ATOM 1517 HG3 GLU A 98 4.805 -33.587 52.186 1.00 19.66 H ATOM 1518 N GLN A 99 2.141 -30.311 51.694 1.00 9.88 N ANISOU 1518 N GLN A 99 1196 1419 1140 66 -152 62 N ATOM 1519 CA GLN A 99 1.478 -29.688 52.816 1.00 11.59 C ANISOU 1519 CA GLN A 99 1476 1613 1315 24 -136 62 C ATOM 1520 C GLN A 99 -0.036 -29.858 52.740 1.00 10.11 C ANISOU 1520 C GLN A 99 1325 1337 1181 55 -88 82 C ATOM 1521 O GLN A 99 -0.706 -30.130 53.730 1.00 11.51 O ANISOU 1521 O GLN A 99 1540 1483 1350 72 -65 113 O ATOM 1522 CB GLN A 99 1.872 -28.230 52.874 1.00 11.12 C ANISOU 1522 CB GLN A 99 1464 1566 1196 -70 -114 17 C ATOM 1523 CG GLN A 99 1.290 -27.511 54.073 1.00 13.54 C ANISOU 1523 CG GLN A 99 1893 1816 1435 -128 -49 -1 C ATOM 1524 CD GLN A 99 1.764 -26.091 54.166 1.00 13.21 C ANISOU 1524 CD GLN A 99 1954 1748 1316 -254 12 -65 C ATOM 1525 OE1 GLN A 99 1.499 -25.250 53.289 1.00 13.90 O ANISOU 1525 OE1 GLN A 99 2069 1758 1455 -240 89 -75 O ATOM 1526 NE2 GLN A 99 2.451 -25.795 55.246 1.00 13.61 N ANISOU 1526 NE2 GLN A 99 2075 1868 1230 -398 -12 -102 N ATOM 1527 H GLN A 99 2.548 -29.761 51.173 1.00 11.86 H ATOM 1528 HA GLN A 99 1.783 -30.111 53.634 1.00 13.91 H ATOM 1529 HB2 GLN A 99 2.839 -28.166 52.927 1.00 13.35 H ATOM 1530 HB3 GLN A 99 1.553 -27.784 52.074 1.00 13.35 H ATOM 1531 HG2 GLN A 99 0.323 -27.502 54.000 1.00 16.25 H ATOM 1532 HG3 GLN A 99 1.559 -27.972 54.882 1.00 16.25 H ATOM 1533 HE21 GLN A 99 2.600 -26.399 55.840 1.00 16.34 H ATOM 1534 HE22 GLN A 99 2.751 -24.997 55.359 1.00 16.34 H ATOM 1535 N ILE A 100 -0.596 -29.646 51.559 1.00 10.09 N ANISOU 1535 N ILE A 100 1293 1319 1220 54 -75 86 N ATOM 1536 CA ILE A 100 -2.044 -29.726 51.419 1.00 10.43 C ANISOU 1536 CA ILE A 100 1322 1339 1300 62 -42 152 C ATOM 1537 C ILE A 100 -2.482 -31.168 51.681 1.00 10.26 C ANISOU 1537 C ILE A 100 1301 1300 1298 59 -70 165 C ATOM 1538 O ILE A 100 -3.466 -31.413 52.358 1.00 10.04 O ANISOU 1538 O ILE A 100 1274 1253 1286 69 -44 226 O ATOM 1539 CB ILE A 100 -2.533 -29.208 50.049 1.00 11.23 C ANISOU 1539 CB ILE A 100 1360 1489 1417 38 -40 192 C ATOM 1540 CG1 ILE A 100 -2.257 -27.702 49.923 1.00 11.82 C ANISOU 1540 CG1 ILE A 100 1454 1547 1490 62 32 205 C ATOM 1541 CG2 ILE A 100 -4.002 -29.487 49.874 1.00 12.30 C ANISOU 1541 CG2 ILE A 100 1430 1669 1575 24 -30 305 C ATOM 1542 CD1 ILE A 100 -2.221 -27.197 48.520 1.00 12.74 C ANISOU 1542 CD1 ILE A 100 1504 1726 1610 47 25 236 C ATOM 1543 H ILE A 100 -0.172 -29.458 50.835 1.00 12.10 H ATOM 1544 HA ILE A 100 -2.450 -29.169 52.101 1.00 12.51 H ATOM 1545 HB ILE A 100 -2.045 -29.672 49.351 1.00 13.48 H ATOM 1546 HG12 ILE A 100 -2.954 -27.218 50.393 1.00 14.18 H ATOM 1547 HG13 ILE A 100 -1.396 -27.510 50.327 1.00 14.18 H ATOM 1548 HG21 ILE A 100 -4.285 -29.153 49.008 1.00 14.76 H ATOM 1549 HG22 ILE A 100 -4.150 -30.444 49.924 1.00 14.76 H ATOM 1550 HG23 ILE A 100 -4.495 -29.038 50.579 1.00 14.76 H ATOM 1551 HD11 ILE A 100 -2.042 -26.244 48.533 1.00 15.29 H ATOM 1552 HD12 ILE A 100 -1.519 -27.659 48.036 1.00 15.29 H ATOM 1553 HD13 ILE A 100 -3.079 -27.367 48.102 1.00 15.29 H ATOM 1554 N LYS A 101 -1.742 -32.130 51.145 1.00 10.30 N ANISOU 1554 N LYS A 101 1318 1293 1301 51 -94 115 N ATOM 1555 CA LYS A 101 -2.065 -33.534 51.392 1.00 11.35 C ANISOU 1555 CA LYS A 101 1495 1363 1453 45 -76 120 C ATOM 1556 C LYS A 101 -1.977 -33.844 52.875 1.00 11.44 C ANISOU 1556 C LYS A 101 1522 1353 1471 115 -61 165 C ATOM 1557 O LYS A 101 -2.802 -34.568 53.413 1.00 10.62 O ANISOU 1557 O LYS A 101 1442 1203 1389 107 -39 205 O ATOM 1558 CB LYS A 101 -1.129 -34.475 50.627 1.00 11.54 C ANISOU 1558 CB LYS A 101 1572 1333 1478 56 -40 66 C ATOM 1559 CG LYS A 101 -1.307 -34.512 49.116 1.00 11.90 C ANISOU 1559 CG LYS A 101 1646 1387 1490 -46 -40 6 C ATOM 1560 CD LYS A 101 -0.229 -35.343 48.420 1.00 14.18 C ANISOU 1560 CD LYS A 101 2021 1594 1775 -7 45 -50 C ATOM 1561 CE LYS A 101 -0.195 -36.786 48.863 1.00 14.51 C ANISOU 1561 CE LYS A 101 2182 1487 1846 27 156 -48 C ATOM 1562 NZ LYS A 101 0.684 -37.605 47.972 1.00 14.19 N ANISOU 1562 NZ LYS A 101 2267 1327 1797 64 300 -98 N ATOM 1563 H LYS A 101 -1.057 -32.003 50.641 1.00 12.36 H ATOM 1564 HA LYS A 101 -2.973 -33.707 51.100 1.00 13.61 H ATOM 1565 HB2 LYS A 101 -0.214 -34.206 50.803 1.00 13.84 H ATOM 1566 HB3 LYS A 101 -1.268 -35.377 50.956 1.00 13.84 H ATOM 1567 HG2 LYS A 101 -2.170 -34.904 48.908 1.00 14.28 H ATOM 1568 HG3 LYS A 101 -1.260 -33.607 48.770 1.00 14.28 H ATOM 1569 HD2 LYS A 101 -0.391 -35.329 47.464 1.00 17.02 H ATOM 1570 HD3 LYS A 101 0.639 -34.953 48.612 1.00 17.02 H ATOM 1571 HE2 LYS A 101 0.155 -36.837 49.766 1.00 17.42 H ATOM 1572 HE3 LYS A 101 -1.092 -37.153 48.827 1.00 17.42 H ATOM 1573 HZ1 LYS A 101 0.691 -38.451 48.248 1.00 17.03 H ATOM 1574 HZ2 LYS A 101 0.381 -37.576 47.136 1.00 17.03 H ATOM 1575 HZ3 LYS A 101 1.515 -37.288 47.990 1.00 17.03 H ATOM 1576 N ARG A 102 -0.981 -33.285 53.540 1.00 10.49 N ANISOU 1576 N ARG A 102 1385 1286 1315 159 -78 169 N ATOM 1577 CA ARG A 102 -0.821 -33.501 54.980 1.00 11.39 C ANISOU 1577 CA ARG A 102 1508 1424 1395 199 -77 222 C ATOM 1578 C ARG A 102 -1.963 -32.940 55.797 1.00 11.21 C ANISOU 1578 C ARG A 102 1525 1377 1357 178 -49 242 C ATOM 1579 O ARG A 102 -2.479 -33.600 56.664 1.00 12.23 O ANISOU 1579 O ARG A 102 1675 1481 1492 208 -27 293 O ATOM 1580 CB ARG A 102 0.476 -32.884 55.466 1.00 14.24 C ANISOU 1580 CB ARG A 102 1831 1901 1678 189 -121 229 C ATOM 1581 CG ARG A 102 1.645 -33.790 55.290 1.00 13.47 C ANISOU 1581 CG ARG A 102 1663 1859 1595 266 -123 296 C ATOM 1582 CD ARG A 102 2.903 -33.229 55.896 1.00 15.26 C ANISOU 1582 CD ARG A 102 1804 2268 1725 230 -188 353 C ATOM 1583 NE ARG A 102 3.946 -34.098 55.438 1.00 15.47 N ANISOU 1583 NE ARG A 102 1735 2345 1798 343 -158 455 N ATOM 1584 CZ ARG A 102 5.224 -33.808 55.399 1.00 16.45 C ANISOU 1584 CZ ARG A 102 1733 2646 1873 339 -201 540 C ATOM 1585 NH1 ARG A 102 5.678 -32.675 55.909 1.00 16.32 N ANISOU 1585 NH1 ARG A 102 1680 2789 1733 179 -298 520 N ATOM 1586 NH2 ARG A 102 6.046 -34.710 54.891 1.00 17.51 N ANISOU 1586 NH2 ARG A 102 1782 2794 2075 490 -124 662 N ATOM 1587 H ARG A 102 -0.383 -32.776 53.189 1.00 12.59 H ATOM 1588 HA ARG A 102 -0.777 -34.455 55.148 1.00 13.67 H ATOM 1589 HB2 ARG A 102 0.648 -32.072 54.964 1.00 17.09 H ATOM 1590 HB3 ARG A 102 0.395 -32.679 56.410 1.00 17.09 H ATOM 1591 HG2 ARG A 102 1.456 -34.638 55.720 1.00 16.16 H ATOM 1592 HG3 ARG A 102 1.802 -33.925 54.342 1.00 16.16 H ATOM 1593 HD2 ARG A 102 3.066 -32.329 55.572 1.00 18.31 H ATOM 1594 HD3 ARG A 102 2.858 -33.258 56.864 1.00 18.31 H ATOM 1595 HE ARG A 102 3.713 -34.879 55.165 1.00 18.56 H ATOM 1596 HH11 ARG A 102 5.128 -32.095 56.227 1.00 19.59 H ATOM 1597 HH12 ARG A 102 6.521 -32.504 55.894 1.00 19.59 H ATOM 1598 HH21 ARG A 102 5.735 -35.451 54.585 1.00 21.01 H ATOM 1599 HH22 ARG A 102 6.893 -34.564 54.886 1.00 21.01 H ATOM 1600 N VAL A 103 -2.343 -31.706 55.545 1.00 11.01 N ANISOU 1600 N VAL A 103 1517 1350 1315 143 -23 218 N ATOM 1601 CA VAL A 103 -3.427 -31.076 56.278 1.00 11.42 C ANISOU 1601 CA VAL A 103 1619 1359 1361 156 57 260 C ATOM 1602 C VAL A 103 -4.740 -31.825 56.057 1.00 13.31 C ANISOU 1602 C VAL A 103 1806 1574 1677 178 77 344 C ATOM 1603 O VAL A 103 -5.500 -32.025 57.001 1.00 14.57 O ANISOU 1603 O VAL A 103 1990 1708 1838 211 131 406 O ATOM 1604 CB VAL A 103 -3.569 -29.597 55.882 1.00 11.88 C ANISOU 1604 CB VAL A 103 1718 1388 1406 142 134 244 C ATOM 1605 CG1 VAL A 103 -4.855 -28.987 56.452 1.00 13.08 C ANISOU 1605 CG1 VAL A 103 1918 1471 1580 201 275 331 C ATOM 1606 CG2 VAL A 103 -2.358 -28.819 56.328 1.00 13.12 C ANISOU 1606 CG2 VAL A 103 1959 1565 1462 67 126 155 C ATOM 1607 H VAL A 103 -1.986 -31.202 54.947 1.00 13.21 H ATOM 1608 HA VAL A 103 -3.224 -31.111 57.225 1.00 13.70 H ATOM 1609 HB VAL A 103 -3.618 -29.537 54.915 1.00 14.25 H ATOM 1610 HG11 VAL A 103 -4.909 -28.057 56.182 1.00 15.69 H ATOM 1611 HG12 VAL A 103 -5.617 -29.477 56.106 1.00 15.69 H ATOM 1612 HG13 VAL A 103 -4.832 -29.051 57.420 1.00 15.69 H ATOM 1613 HG21 VAL A 103 -2.467 -27.890 56.069 1.00 15.75 H ATOM 1614 HG22 VAL A 103 -2.277 -28.887 57.292 1.00 15.75 H ATOM 1615 HG23 VAL A 103 -1.570 -29.191 55.902 1.00 15.75 H ATOM 1616 N LYS A 104 -5.024 -32.205 54.811 1.00 11.02 N ANISOU 1616 N LYS A 104 1447 1310 1432 136 35 350 N ATOM 1617 CA LYS A 104 -6.257 -32.911 54.469 1.00 12.05 C ANISOU 1617 CA LYS A 104 1514 1460 1604 90 33 434 C ATOM 1618 C LYS A 104 -6.175 -34.417 54.779 1.00 12.69 C ANISOU 1618 C LYS A 104 1638 1486 1697 55 13 410 C ATOM 1619 O LYS A 104 -7.166 -35.127 54.679 1.00 14.49 O ANISOU 1619 O LYS A 104 1838 1721 1947 -19 15 470 O ATOM 1620 CB LYS A 104 -6.581 -32.671 52.994 1.00 14.16 C ANISOU 1620 CB LYS A 104 1701 1808 1871 7 -9 452 C ATOM 1621 CG LYS A 104 -6.823 -31.191 52.682 1.00 13.25 C ANISOU 1621 CG LYS A 104 1534 1739 1763 68 46 524 C ATOM 1622 CD LYS A 104 -7.244 -30.908 51.242 1.00 14.39 C ANISOU 1622 CD LYS A 104 1565 2006 1895 -6 2 590 C ATOM 1623 CE LYS A 104 -8.696 -31.254 50.986 1.00 15.73 C ANISOU 1623 CE LYS A 104 1595 2311 2072 -76 -13 767 C ATOM 1624 NZ LYS A 104 -9.637 -30.450 51.800 1.00 13.46 N ANISOU 1624 NZ LYS A 104 1241 2034 1841 61 111 951 N ATOM 1625 H LYS A 104 -4.510 -32.062 54.137 1.00 13.23 H ATOM 1626 HA LYS A 104 -6.984 -32.541 54.995 1.00 14.46 H ATOM 1627 HB2 LYS A 104 -5.835 -32.975 52.452 1.00 16.99 H ATOM 1628 HB3 LYS A 104 -7.384 -33.163 52.761 1.00 16.99 H ATOM 1629 HG2 LYS A 104 -7.526 -30.863 53.264 1.00 15.90 H ATOM 1630 HG3 LYS A 104 -6.003 -30.701 52.851 1.00 15.90 H ATOM 1631 HD2 LYS A 104 -7.122 -29.964 51.055 1.00 17.26 H ATOM 1632 HD3 LYS A 104 -6.697 -31.439 50.641 1.00 17.26 H ATOM 1633 HE2 LYS A 104 -8.898 -31.095 50.051 1.00 18.88 H ATOM 1634 HE3 LYS A 104 -8.839 -32.189 51.201 1.00 18.88 H ATOM 1635 HZ1 LYS A 104 -9.480 -30.583 52.666 1.00 16.16 H ATOM 1636 HZ2 LYS A 104 -9.534 -29.585 51.617 1.00 16.16 H ATOM 1637 HZ3 LYS A 104 -10.475 -30.686 51.618 1.00 16.16 H ATOM 1638 N ASP A 105 -4.989 -34.884 55.157 1.00 13.21 N ANISOU 1638 N ASP A 105 1903 1807 1308 -292 -107 555 N ATOM 1639 CA ASP A 105 -4.701 -36.306 55.346 1.00 13.11 C ANISOU 1639 CA ASP A 105 1921 1731 1329 -245 -113 660 C ATOM 1640 C ASP A 105 -5.275 -37.158 54.228 1.00 13.33 C ANISOU 1640 C ASP A 105 1992 1620 1455 -220 -76 626 C ATOM 1641 O ASP A 105 -5.978 -38.131 54.464 1.00 15.61 O ANISOU 1641 O ASP A 105 2344 1827 1760 -256 -46 664 O ATOM 1642 CB ASP A 105 -5.160 -36.819 56.717 1.00 17.60 C ANISOU 1642 CB ASP A 105 2536 2325 1827 -302 -100 741 C ATOM 1643 CG ASP A 105 -4.603 -38.203 57.034 1.00 19.82 C ANISOU 1643 CG ASP A 105 2852 2546 2132 -237 -110 878 C ATOM 1644 OD1 ASP A 105 -3.533 -38.553 56.494 1.00 22.23 O ANISOU 1644 OD1 ASP A 105 3127 2835 2483 -133 -132 935 O ATOM 1645 OD2 ASP A 105 -5.252 -38.951 57.790 1.00 21.79 O ANISOU 1645 OD2 ASP A 105 3161 2759 2361 -280 -80 938 O ATOM 1646 H ASP A 105 -4.310 -34.380 55.315 1.00 15.85 H ATOM 1647 HA ASP A 105 -3.738 -36.418 55.315 1.00 15.73 H ATOM 1648 HB2 ASP A 105 -4.854 -36.206 57.404 1.00 21.13 H ATOM 1649 HB3 ASP A 105 -6.129 -36.874 56.727 1.00 21.13 H ATOM 1650 N SER A 106 -4.916 -36.802 53.004 1.00 13.87 N ANISOU 1650 N SER A 106 2039 1659 1571 -175 -81 558 N ATOM 1651 CA SER A 106 -5.462 -37.467 51.842 1.00 13.74 C ANISOU 1651 CA SER A 106 2088 1517 1617 -183 -53 507 C ATOM 1652 C SER A 106 -4.439 -37.571 50.743 1.00 14.68 C ANISOU 1652 C SER A 106 2222 1583 1771 -82 -44 489 C ATOM 1653 O SER A 106 -3.645 -36.655 50.534 1.00 15.62 O ANISOU 1653 O SER A 106 2258 1794 1882 -35 -68 475 O ATOM 1654 CB SER A 106 -6.661 -36.694 51.300 1.00 18.14 C ANISOU 1654 CB SER A 106 2605 2106 2181 -275 -56 420 C ATOM 1655 OG SER A 106 -7.157 -37.328 50.139 1.00 25.93 O ANISOU 1655 OG SER A 106 3658 2990 3203 -319 -53 378 O ATOM 1656 H SER A 106 -4.356 -36.175 52.823 1.00 16.64 H ATOM 1657 HA SER A 106 -5.752 -38.361 52.083 1.00 16.49 H ATOM 1658 HB2 SER A 106 -7.358 -36.673 51.974 1.00 21.77 H ATOM 1659 HB3 SER A 106 -6.384 -35.792 51.076 1.00 21.77 H ATOM 1660 HG SER A 106 -7.817 -36.904 49.840 1.00 31.11 H ATOM 1661 N GLU A 107 -4.483 -38.686 50.027 1.00 15.49 N ANISOU 1661 N GLU A 107 2448 1531 1906 -58 3 489 N ATOM 1662 CA GLU A 107 -3.691 -38.868 48.817 1.00 16.06 C ANISOU 1662 CA GLU A 107 2575 1523 2005 37 46 457 C ATOM 1663 C GLU A 107 -4.382 -38.314 47.576 1.00 16.59 C ANISOU 1663 C GLU A 107 2663 1575 2064 -49 28 333 C ATOM 1664 O GLU A 107 -3.744 -38.136 46.535 1.00 26.57 O ANISOU 1664 O GLU A 107 3954 2809 3334 17 58 291 O ATOM 1665 CB GLU A 107 -3.390 -40.352 48.605 1.00 26.17 C ANISOU 1665 CB GLU A 107 4029 2609 3304 110 134 510 C ATOM 1666 H GLU A 107 -4.973 -39.365 50.225 1.00 18.59 H ATOM 1667 HA GLU A 107 -2.846 -38.404 48.921 1.00 19.27 H ATOM 1668 N ASP A 108 -5.674 -38.033 47.674 1.00 15.39 N ANISOU 1668 N ASP A 108 2488 1460 1897 -193 -16 292 N ATOM 1669 CA ASP A 108 -6.447 -37.635 46.502 1.00 15.93 C ANISOU 1669 CA ASP A 108 2569 1529 1954 -291 -47 208 C ATOM 1670 C ASP A 108 -6.992 -36.243 46.707 1.00 16.08 C ANISOU 1670 C ASP A 108 2426 1708 1978 -320 -91 193 C ATOM 1671 O ASP A 108 -8.049 -36.072 47.290 1.00 19.33 O ANISOU 1671 O ASP A 108 2774 2179 2389 -404 -107 220 O ATOM 1672 CB ASP A 108 -7.579 -38.634 46.254 1.00 17.17 C ANISOU 1672 CB ASP A 108 2843 1592 2091 -449 -58 203 C ATOM 1673 CG ASP A 108 -8.289 -38.400 44.933 1.00 25.89 C ANISOU 1673 CG ASP A 108 3976 2699 3161 -573 -106 135 C ATOM 1674 OD1 ASP A 108 -7.792 -37.606 44.106 1.00 36.96 O ANISOU 1674 OD1 ASP A 108 5340 4144 4557 -511 -113 86 O ATOM 1675 OD2 ASP A 108 -9.342 -39.031 44.709 1.00 38.67 O ANISOU 1675 OD2 ASP A 108 5657 4285 4749 -750 -143 141 O ATOM 1676 H ASP A 108 -6.127 -38.064 48.404 1.00 18.46 H ATOM 1677 HA ASP A 108 -5.869 -37.626 45.723 1.00 19.11 H ATOM 1678 HB2 ASP A 108 -7.212 -39.531 46.243 1.00 20.61 H ATOM 1679 HB3 ASP A 108 -8.234 -38.552 46.965 1.00 20.61 H ATOM 1680 N VAL A 109 -6.247 -35.242 46.254 1.00 13.58 N ANISOU 1680 N VAL A 109 2045 1452 1663 -243 -95 160 N ATOM 1681 CA VAL A 109 -6.665 -33.854 46.424 1.00 13.34 C ANISOU 1681 CA VAL A 109 1894 1540 1633 -254 -114 144 C ATOM 1682 C VAL A 109 -6.714 -33.166 45.061 1.00 12.11 C ANISOU 1682 C VAL A 109 1725 1399 1478 -258 -134 90 C ATOM 1683 O VAL A 109 -5.690 -33.054 44.389 1.00 12.50 O ANISOU 1683 O VAL A 109 1804 1422 1522 -191 -122 63 O ATOM 1684 CB VAL A 109 -5.722 -33.061 47.326 1.00 13.90 C ANISOU 1684 CB VAL A 109 1911 1681 1689 -185 -105 162 C ATOM 1685 CG1 VAL A 109 -6.297 -31.667 47.507 1.00 14.61 C ANISOU 1685 CG1 VAL A 109 1930 1850 1769 -204 -97 137 C ATOM 1686 CG2 VAL A 109 -5.547 -33.740 48.686 1.00 14.59 C ANISOU 1686 CG2 VAL A 109 2016 1771 1757 -184 -96 230 C ATOM 1687 H VAL A 109 -5.497 -35.338 45.845 1.00 16.30 H ATOM 1688 HA VAL A 109 -7.553 -33.830 46.813 1.00 16.01 H ATOM 1689 HB VAL A 109 -4.852 -32.985 46.902 1.00 16.68 H ATOM 1690 HG11 VAL A 109 -5.705 -31.154 48.078 1.00 17.53 H ATOM 1691 HG12 VAL A 109 -6.371 -31.241 46.639 1.00 17.53 H ATOM 1692 HG13 VAL A 109 -7.173 -31.739 47.917 1.00 17.53 H ATOM 1693 HG21 VAL A 109 -4.943 -33.208 49.228 1.00 17.51 H ATOM 1694 HG22 VAL A 109 -6.412 -33.804 49.119 1.00 17.51 H ATOM 1695 HG23 VAL A 109 -5.177 -34.626 48.550 1.00 17.51 H ATOM 1696 N PRO A 110 -7.898 -32.676 44.664 1.00 11.05 N ANISOU 1696 N PRO A 110 1530 1319 1349 -331 -160 94 N ATOM 1697 CA PRO A 110 -8.000 -31.986 43.362 1.00 11.42 C ANISOU 1697 CA PRO A 110 1558 1393 1388 -340 -188 63 C ATOM 1698 C PRO A 110 -7.084 -30.781 43.285 1.00 10.61 C ANISOU 1698 C PRO A 110 1414 1326 1290 -244 -163 37 C ATOM 1699 O PRO A 110 -7.103 -29.920 44.161 1.00 10.16 O ANISOU 1699 O PRO A 110 1301 1316 1243 -209 -134 52 O ATOM 1700 CB PRO A 110 -9.463 -31.534 43.313 1.00 12.16 C ANISOU 1700 CB PRO A 110 1545 1578 1499 -413 -215 120 C ATOM 1701 CG PRO A 110 -10.162 -32.540 44.176 1.00 12.87 C ANISOU 1701 CG PRO A 110 1644 1653 1593 -490 -214 166 C ATOM 1702 CD PRO A 110 -9.220 -32.789 45.306 1.00 11.55 C ANISOU 1702 CD PRO A 110 1527 1434 1426 -409 -163 151 C ATOM 1703 HA PRO A 110 -7.814 -32.594 42.630 1.00 13.71 H ATOM 1704 HB2 PRO A 110 -9.548 -30.640 43.681 1.00 14.60 H ATOM 1705 HB3 PRO A 110 -9.791 -31.569 42.401 1.00 14.60 H ATOM 1706 HG2 PRO A 110 -10.998 -32.170 44.500 1.00 15.44 H ATOM 1707 HG3 PRO A 110 -10.318 -33.353 43.672 1.00 15.44 H ATOM 1708 HD2 PRO A 110 -9.325 -32.111 45.991 1.00 13.86 H ATOM 1709 HD3 PRO A 110 -9.348 -33.682 45.664 1.00 13.86 H ATOM 1710 N MET A 111 -6.285 -30.759 42.237 1.00 10.71 N ANISOU 1710 N MET A 111 1477 1307 1284 -214 -166 -2 N ATOM 1711 CA MET A 111 -5.339 -29.699 42.017 1.00 10.98 C ANISOU 1711 CA MET A 111 1477 1375 1319 -145 -147 -20 C ATOM 1712 C MET A 111 -5.105 -29.525 40.521 1.00 9.12 C ANISOU 1712 C MET A 111 1281 1127 1059 -146 -157 -52 C ATOM 1713 O MET A 111 -5.250 -30.439 39.743 1.00 10.50 O ANISOU 1713 O MET A 111 1545 1243 1200 -186 -165 -74 O ATOM 1714 CB MET A 111 -3.981 -30.027 42.658 1.00 11.59 C ANISOU 1714 CB MET A 111 1566 1441 1398 -79 -119 -7 C ATOM 1715 CG MET A 111 -3.982 -30.190 44.162 1.00 16.90 C ANISOU 1715 CG MET A 111 2213 2138 2072 -85 -117 32 C ATOM 1716 SD MET A 111 -2.347 -30.266 44.849 1.00 16.93 S ANISOU 1716 SD MET A 111 2183 2185 2064 -26 -113 85 S ATOM 1717 CE MET A 111 -2.666 -30.675 46.552 1.00 22.22 C ANISOU 1717 CE MET A 111 2851 2880 2711 -63 -127 136 C ATOM 1718 H MET A 111 -6.276 -31.364 41.626 1.00 12.85 H ATOM 1719 HA MET A 111 -5.674 -28.872 42.397 1.00 13.18 H ATOM 1720 HB2 MET A 111 -3.656 -30.858 42.277 1.00 13.91 H ATOM 1721 HB3 MET A 111 -3.362 -29.311 42.445 1.00 13.91 H ATOM 1722 HG2 MET A 111 -4.440 -29.434 44.561 1.00 20.28 H ATOM 1723 HG3 MET A 111 -4.442 -31.013 44.390 1.00 20.28 H ATOM 1724 HE1 MET A 111 -1.822 -30.741 47.024 1.00 26.66 H ATOM 1725 HE2 MET A 111 -3.212 -29.977 46.946 1.00 26.66 H ATOM 1726 HE3 MET A 111 -3.135 -31.523 46.590 1.00 26.66 H ATOM 1727 N VAL A 112 -4.718 -28.317 40.147 1.00 8.88 N ANISOU 1727 N VAL A 112 1204 1141 1030 -113 -149 -57 N ATOM 1728 CA VAL A 112 -4.192 -28.015 38.823 1.00 8.91 C ANISOU 1728 CA VAL A 112 1242 1140 1003 -99 -144 -81 C ATOM 1729 C VAL A 112 -2.908 -27.247 39.020 1.00 8.68 C ANISOU 1729 C VAL A 112 1177 1136 983 -39 -107 -78 C ATOM 1730 O VAL A 112 -2.842 -26.299 39.815 1.00 9.07 O ANISOU 1730 O VAL A 112 1176 1222 1049 -43 -105 -64 O ATOM 1731 CB VAL A 112 -5.203 -27.168 37.993 1.00 10.49 C ANISOU 1731 CB VAL A 112 1407 1387 1191 -141 -184 -61 C ATOM 1732 CG1 VAL A 112 -4.572 -26.667 36.708 1.00 11.24 C ANISOU 1732 CG1 VAL A 112 1539 1487 1246 -126 -176 -80 C ATOM 1733 CG2 VAL A 112 -6.451 -27.980 37.703 1.00 11.72 C ANISOU 1733 CG2 VAL A 112 1576 1551 1326 -234 -241 -40 C ATOM 1734 H VAL A 112 -4.752 -27.628 40.661 1.00 10.66 H ATOM 1735 HA VAL A 112 -4.000 -28.838 38.346 1.00 10.69 H ATOM 1736 HB VAL A 112 -5.467 -26.394 38.516 1.00 12.59 H ATOM 1737 HG11 VAL A 112 -5.226 -26.145 36.218 1.00 13.49 H ATOM 1738 HG12 VAL A 112 -3.805 -26.114 36.928 1.00 13.49 H ATOM 1739 HG13 VAL A 112 -4.290 -27.428 36.177 1.00 13.49 H ATOM 1740 HG21 VAL A 112 -7.067 -27.437 37.187 1.00 14.06 H ATOM 1741 HG22 VAL A 112 -6.202 -28.770 37.199 1.00 14.06 H ATOM 1742 HG23 VAL A 112 -6.861 -28.238 38.543 1.00 14.06 H ATOM 1743 N LEU A 113 -1.873 -27.644 38.292 1.00 8.96 N ANISOU 1743 N LEU A 113 1250 1155 1001 6 -70 -86 N ATOM 1744 CA LEU A 113 -0.617 -26.939 38.296 1.00 8.66 C ANISOU 1744 CA LEU A 113 1155 1166 969 47 -40 -61 C ATOM 1745 C LEU A 113 -0.634 -25.865 37.215 1.00 8.83 C ANISOU 1745 C LEU A 113 1179 1208 967 29 -39 -75 C ATOM 1746 O LEU A 113 -0.946 -26.132 36.063 1.00 9.32 O ANISOU 1746 O LEU A 113 1307 1244 992 25 -33 -99 O ATOM 1747 CB LEU A 113 0.508 -27.922 38.013 1.00 11.33 C ANISOU 1747 CB LEU A 113 1510 1485 1309 130 24 -34 C ATOM 1748 CG LEU A 113 1.919 -27.356 38.017 1.00 11.05 C ANISOU 1748 CG LEU A 113 1379 1534 1287 172 58 28 C ATOM 1749 CD1 LEU A 113 2.297 -26.812 39.395 1.00 11.15 C ANISOU 1749 CD1 LEU A 113 1292 1629 1315 122 4 80 C ATOM 1750 CD2 LEU A 113 2.949 -28.399 37.556 1.00 13.42 C ANISOU 1750 CD2 LEU A 113 1689 1815 1597 294 155 79 C ATOM 1751 H LEU A 113 -1.881 -28.334 37.779 1.00 10.76 H ATOM 1752 HA LEU A 113 -0.469 -26.521 39.159 1.00 10.39 H ATOM 1753 HB2 LEU A 113 0.477 -28.621 38.686 1.00 13.59 H ATOM 1754 HB3 LEU A 113 0.358 -28.313 37.138 1.00 13.59 H ATOM 1755 HG LEU A 113 1.955 -26.615 37.392 1.00 13.27 H ATOM 1756 HD11 LEU A 113 3.200 -26.460 39.359 1.00 13.38 H ATOM 1757 HD12 LEU A 113 1.676 -26.106 39.636 1.00 13.38 H ATOM 1758 HD13 LEU A 113 2.247 -27.532 40.043 1.00 13.38 H ATOM 1759 HD21 LEU A 113 3.832 -28.000 37.573 1.00 16.11 H ATOM 1760 HD22 LEU A 113 2.918 -29.160 38.157 1.00 16.11 H ATOM 1761 HD23 LEU A 113 2.730 -28.681 36.654 1.00 16.11 H ATOM 1762 N VAL A 114 -0.293 -24.649 37.612 1.00 8.91 N ANISOU 1762 N VAL A 114 1137 1261 986 3 -44 -58 N ATOM 1763 CA VAL A 114 -0.369 -23.486 36.738 1.00 8.54 C ANISOU 1763 CA VAL A 114 1100 1222 923 -15 -38 -58 C ATOM 1764 C VAL A 114 1.009 -22.847 36.639 1.00 8.70 C ANISOU 1764 C VAL A 114 1078 1290 936 -25 -9 -29 C ATOM 1765 O VAL A 114 1.574 -22.437 37.655 1.00 9.52 O ANISOU 1765 O VAL A 114 1143 1429 1046 -70 -21 -8 O ATOM 1766 CB VAL A 114 -1.385 -22.441 37.293 1.00 9.57 C ANISOU 1766 CB VAL A 114 1235 1333 1069 -44 -51 -55 C ATOM 1767 CG1 VAL A 114 -1.362 -21.188 36.467 1.00 10.36 C ANISOU 1767 CG1 VAL A 114 1355 1426 1156 -49 -31 -38 C ATOM 1768 CG2 VAL A 114 -2.805 -23.029 37.300 1.00 11.16 C ANISOU 1768 CG2 VAL A 114 1438 1521 1283 -37 -80 -51 C ATOM 1769 H VAL A 114 -0.007 -24.466 38.402 1.00 10.69 H ATOM 1770 HA VAL A 114 -0.653 -23.758 35.852 1.00 10.25 H ATOM 1771 HB VAL A 114 -1.145 -22.211 38.204 1.00 11.48 H ATOM 1772 HG11 VAL A 114 -2.001 -20.557 36.833 1.00 12.44 H ATOM 1773 HG12 VAL A 114 -0.469 -20.809 36.495 1.00 12.44 H ATOM 1774 HG13 VAL A 114 -1.600 -21.408 35.553 1.00 12.44 H ATOM 1775 HG21 VAL A 114 -3.420 -22.364 37.648 1.00 13.39 H ATOM 1776 HG22 VAL A 114 -3.052 -23.266 36.393 1.00 13.39 H ATOM 1777 HG23 VAL A 114 -2.817 -23.818 37.864 1.00 13.39 H ATOM 1778 N GLY A 115 1.535 -22.762 35.421 1.00 8.50 N ANISOU 1778 N GLY A 115 1065 1278 887 0 26 -22 N ATOM 1779 CA GLY A 115 2.757 -22.024 35.177 1.00 9.93 C ANISOU 1779 CA GLY A 115 1194 1518 1061 -22 57 22 C ATOM 1780 C GLY A 115 2.394 -20.679 34.569 1.00 9.31 C ANISOU 1780 C GLY A 115 1159 1416 964 -72 55 18 C ATOM 1781 O GLY A 115 2.086 -20.582 33.379 1.00 10.00 O ANISOU 1781 O GLY A 115 1292 1488 1021 -47 72 14 O ATOM 1782 H GLY A 115 1.197 -23.126 34.719 1.00 10.20 H ATOM 1783 HA2 GLY A 115 3.235 -21.881 36.009 1.00 11.92 H ATOM 1784 HA3 GLY A 115 3.326 -22.511 34.561 1.00 11.92 H ATOM 1785 N ASN A 116 2.411 -19.653 35.404 1.00 9.33 N ANISOU 1785 N ASN A 116 1168 1406 971 -147 39 23 N ATOM 1786 CA ASN A 116 1.983 -18.327 35.028 1.00 9.48 C ANISOU 1786 CA ASN A 116 1256 1369 978 -183 56 26 C ATOM 1787 C ASN A 116 3.129 -17.451 34.517 1.00 10.35 C ANISOU 1787 C ASN A 116 1357 1513 1064 -255 83 65 C ATOM 1788 O ASN A 116 4.293 -17.798 34.603 1.00 11.25 O ANISOU 1788 O ASN A 116 1387 1716 1173 -288 84 102 O ATOM 1789 CB ASN A 116 1.286 -17.676 36.232 1.00 9.14 C ANISOU 1789 CB ASN A 116 1276 1255 943 -222 55 2 C ATOM 1790 CG ASN A 116 0.562 -16.390 35.876 1.00 9.60 C ANISOU 1790 CG ASN A 116 1428 1219 1000 -213 102 14 C ATOM 1791 OD1 ASN A 116 -0.179 -16.312 34.871 1.00 9.90 O ANISOU 1791 OD1 ASN A 116 1465 1247 1050 -138 107 45 O ATOM 1792 ND2 ASN A 116 0.766 -15.379 36.688 1.00 10.35 N ANISOU 1792 ND2 ASN A 116 1619 1242 1073 -293 139 0 N ATOM 1793 H ASN A 116 2.676 -19.707 36.221 1.00 11.19 H ATOM 1794 HA ASN A 116 1.330 -18.402 34.314 1.00 11.38 H ATOM 1795 HB2 ASN A 116 0.633 -18.296 36.592 1.00 10.97 H ATOM 1796 HB3 ASN A 116 1.952 -17.467 36.906 1.00 10.97 H ATOM 1797 HD21 ASN A 116 0.383 -14.623 36.538 1.00 12.42 H ATOM 1798 HD22 ASN A 116 1.283 -15.472 37.369 1.00 12.42 H ATOM 1799 N LYS A 117 2.746 -16.321 33.933 1.00 11.13 N ANISOU 1799 N LYS A 117 1535 1546 1149 -272 110 76 N ATOM 1800 CA LYS A 117 3.655 -15.320 33.353 1.00 10.26 C ANISOU 1800 CA LYS A 117 1444 1445 1011 -354 142 118 C ATOM 1801 C LYS A 117 4.268 -15.801 32.049 1.00 11.50 C ANISOU 1801 C LYS A 117 1539 1680 1149 -306 167 154 C ATOM 1802 O LYS A 117 5.395 -15.457 31.720 1.00 12.60 O ANISOU 1802 O LYS A 117 1631 1885 1271 -371 194 203 O ATOM 1803 CB LYS A 117 4.738 -14.847 34.324 1.00 13.09 C ANISOU 1803 CB LYS A 117 1783 1842 1349 -506 126 133 C ATOM 1804 CG LYS A 117 4.205 -14.342 35.672 1.00 13.74 C ANISOU 1804 CG LYS A 117 1970 1833 1417 -578 114 84 C ATOM 1805 CD LYS A 117 5.224 -13.546 36.452 1.00 13.59 C ANISOU 1805 CD LYS A 117 1990 1832 1340 -783 94 99 C ATOM 1806 CE LYS A 117 4.795 -13.269 37.866 1.00 15.83 C ANISOU 1806 CE LYS A 117 2395 2037 1583 -867 84 41 C ATOM 1807 NZ LYS A 117 5.862 -12.476 38.562 1.00 16.97 N ANISOU 1807 NZ LYS A 117 2599 2210 1640 -1118 47 58 N ATOM 1808 H LYS A 117 1.919 -16.096 33.856 1.00 13.36 H ATOM 1809 HA LYS A 117 3.123 -14.539 33.135 1.00 12.32 H ATOM 1810 HB2 LYS A 117 5.339 -15.586 34.503 1.00 15.71 H ATOM 1811 HB3 LYS A 117 5.229 -14.119 33.910 1.00 15.71 H ATOM 1812 HG2 LYS A 117 3.438 -13.770 35.513 1.00 16.49 H ATOM 1813 HG3 LYS A 117 3.943 -15.104 36.212 1.00 16.49 H ATOM 1814 HD2 LYS A 117 6.056 -14.044 36.484 1.00 16.30 H ATOM 1815 HD3 LYS A 117 5.365 -12.694 36.010 1.00 16.30 H ATOM 1816 HE2 LYS A 117 3.975 -12.752 37.863 1.00 19.00 H ATOM 1817 HE3 LYS A 117 4.671 -14.107 38.339 1.00 19.00 H ATOM 1818 HZ1 LYS A 117 5.616 -12.307 39.400 1.00 20.37 H ATOM 1819 HZ2 LYS A 117 6.625 -12.934 38.570 1.00 20.37 H ATOM 1820 HZ3 LYS A 117 5.992 -11.705 38.138 1.00 20.37 H ATOM 1821 N CYS A 118 3.507 -16.595 31.315 1.00 10.62 N ANISOU 1821 N CYS A 118 1440 1565 1030 -204 162 134 N ATOM 1822 CA CYS A 118 4.015 -17.171 30.065 1.00 11.93 C ANISOU 1822 CA CYS A 118 1592 1786 1153 -156 203 152 C ATOM 1823 C CYS A 118 4.265 -16.145 28.952 1.00 12.27 C ANISOU 1823 C CYS A 118 1682 1826 1153 -187 241 200 C ATOM 1824 O CYS A 118 4.865 -16.472 27.937 1.00 13.50 O ANISOU 1824 O CYS A 118 1834 2034 1262 -161 294 222 O ATOM 1825 CB CYS A 118 3.139 -18.330 29.572 1.00 13.91 C ANISOU 1825 CB CYS A 118 1885 2023 1377 -78 183 107 C ATOM 1826 SG CYS A 118 1.543 -17.932 28.909 1.00 16.33 S ANISOU 1826 SG CYS A 118 2268 2284 1651 -70 122 115 S ATOM 1827 H CYS A 118 2.700 -16.819 31.509 1.00 12.74 H ATOM 1828 HA CYS A 118 4.881 -17.558 30.267 1.00 14.31 H ATOM 1829 HB2 CYS A 118 3.627 -18.798 28.876 1.00 16.69 H ATOM 1830 HB3 CYS A 118 2.994 -18.933 30.318 1.00 16.69 H ATOM 1831 HG CYS A 118 0.995 -18.946 28.573 1.00 19.59 H ATOM 1832 N ASP A 119 3.859 -14.906 29.165 1.00 12.04 N ANISOU 1832 N ASP A 119 1711 1727 1137 -239 232 223 N ATOM 1833 CA ASP A 119 4.139 -13.835 28.220 1.00 13.27 C ANISOU 1833 CA ASP A 119 1921 1865 1256 -277 272 282 C ATOM 1834 C ASP A 119 5.492 -13.163 28.472 1.00 13.06 C ANISOU 1834 C ASP A 119 1856 1875 1229 -396 311 321 C ATOM 1835 O ASP A 119 5.920 -12.334 27.670 1.00 14.76 O ANISOU 1835 O ASP A 119 2109 2086 1412 -444 353 378 O ATOM 1836 CB ASP A 119 3.050 -12.781 28.300 1.00 14.02 C ANISOU 1836 CB ASP A 119 2113 1847 1368 -261 264 308 C ATOM 1837 CG ASP A 119 2.960 -12.162 29.681 1.00 13.88 C ANISOU 1837 CG ASP A 119 2139 1740 1396 -318 271 279 C ATOM 1838 OD1 ASP A 119 2.531 -12.865 30.632 1.00 12.94 O ANISOU 1838 OD1 ASP A 119 1985 1624 1308 -290 237 227 O ATOM 1839 OD2 ASP A 119 3.347 -10.995 29.817 1.00 16.16 O ANISOU 1839 OD2 ASP A 119 2515 1948 1676 -403 315 306 O ATOM 1840 H ASP A 119 3.415 -14.654 29.857 1.00 14.45 H ATOM 1841 HA ASP A 119 4.144 -14.198 27.320 1.00 15.93 H ATOM 1842 HB2 ASP A 119 3.242 -12.075 27.664 1.00 16.83 H ATOM 1843 HB3 ASP A 119 2.194 -13.191 28.096 1.00 16.83 H ATOM 1844 N LEU A 120 6.155 -13.478 29.586 1.00 13.57 N ANISOU 1844 N LEU A 120 1845 1988 1325 -461 288 307 N ATOM 1845 CA LEU A 120 7.412 -12.840 29.945 1.00 13.49 C ANISOU 1845 CA LEU A 120 1779 2039 1306 -613 299 363 C ATOM 1846 C LEU A 120 8.596 -13.547 29.318 1.00 15.33 C ANISOU 1846 C LEU A 120 1860 2432 1534 -588 345 433 C ATOM 1847 O LEU A 120 8.530 -14.714 29.001 1.00 14.71 O ANISOU 1847 O LEU A 120 1725 2399 1463 -452 370 417 O ATOM 1848 CB LEU A 120 7.592 -12.784 31.468 1.00 15.07 C ANISOU 1848 CB LEU A 120 1966 2238 1521 -723 239 337 C ATOM 1849 CG LEU A 120 6.697 -11.779 32.207 1.00 19.54 C ANISOU 1849 CG LEU A 120 2714 2633 2077 -785 232 280 C ATOM 1850 CD1 LEU A 120 7.065 -11.766 33.675 1.00 22.22 C ANISOU 1850 CD1 LEU A 120 3057 2988 2399 -925 178 254 C ATOM 1851 CD2 LEU A 120 6.796 -10.367 31.606 1.00 22.27 C ANISOU 1851 CD2 LEU A 120 3198 2873 2390 -877 285 315 C ATOM 1852 H LEU A 120 5.890 -14.066 30.154 1.00 16.29 H ATOM 1853 HA LEU A 120 7.403 -11.928 29.615 1.00 16.18 H ATOM 1854 HB2 LEU A 120 7.403 -13.663 31.831 1.00 18.08 H ATOM 1855 HB3 LEU A 120 8.513 -12.547 31.658 1.00 18.08 H ATOM 1856 HG LEU A 120 5.775 -12.068 32.134 1.00 23.45 H ATOM 1857 HD11 LEU A 120 6.497 -11.130 34.137 1.00 26.67 H ATOM 1858 HD12 LEU A 120 6.932 -12.655 34.041 1.00 26.67 H ATOM 1859 HD13 LEU A 120 7.995 -11.506 33.766 1.00 26.67 H ATOM 1860 HD21 LEU A 120 6.216 -9.771 32.104 1.00 26.72 H ATOM 1861 HD22 LEU A 120 7.715 -10.062 31.666 1.00 26.72 H ATOM 1862 HD23 LEU A 120 6.519 -10.399 30.677 1.00 26.72 H ATOM 1863 N PRO A 121 9.706 -12.823 29.149 1.00 15.57 N ANISOU 1863 N PRO A 121 1828 2540 1548 -724 370 520 N ATOM 1864 CA PRO A 121 10.922 -13.390 28.573 1.00 16.23 C ANISOU 1864 CA PRO A 121 1739 2793 1634 -695 437 619 C ATOM 1865 C PRO A 121 11.734 -14.184 29.603 1.00 16.64 C ANISOU 1865 C PRO A 121 1617 2967 1738 -692 391 661 C ATOM 1866 O PRO A 121 11.397 -14.220 30.792 1.00 18.32 O ANISOU 1866 O PRO A 121 1842 3158 1960 -763 306 624 O ATOM 1867 CB PRO A 121 11.701 -12.143 28.154 1.00 20.30 C ANISOU 1867 CB PRO A 121 2272 3303 2139 -831 441 673 C ATOM 1868 CG PRO A 121 11.360 -11.162 29.223 1.00 21.43 C ANISOU 1868 CG PRO A 121 2527 3339 2276 -995 352 625 C ATOM 1869 CD PRO A 121 9.913 -11.417 29.537 1.00 21.60 C ANISOU 1869 CD PRO A 121 2685 3235 2286 -924 346 540 C ATOM 1870 HA PRO A 121 10.724 -13.940 27.799 1.00 19.48 H ATOM 1871 HB2 PRO A 121 12.653 -12.332 28.145 1.00 24.36 H ATOM 1872 HB3 PRO A 121 11.396 -11.835 27.287 1.00 24.36 H ATOM 1873 HG2 PRO A 121 11.913 -11.322 30.003 1.00 25.71 H ATOM 1874 HG3 PRO A 121 11.485 -10.260 28.891 1.00 25.71 H ATOM 1875 HD2 PRO A 121 9.750 -11.302 30.486 1.00 25.92 H ATOM 1876 HD3 PRO A 121 9.347 -10.835 29.007 1.00 25.92 H ATOM 1877 N SER A 122 12.792 -14.827 29.121 1.00 18.78 N ANISOU 1877 N SER A 122 1741 3357 2039 -597 453 743 N ATOM 1878 CA SER A 122 13.811 -15.434 29.977 1.00 22.64 C ANISOU 1878 CA SER A 122 2048 3977 2576 -588 406 826 C ATOM 1879 C SER A 122 13.225 -16.486 30.904 1.00 22.36 C ANISOU 1879 C SER A 122 1995 3933 2567 -501 371 789 C ATOM 1880 O SER A 122 13.523 -16.535 32.102 1.00 21.61 O ANISOU 1880 O SER A 122 1834 3893 2482 -584 266 818 O ATOM 1881 CB SER A 122 14.569 -14.350 30.742 1.00 26.17 C ANISOU 1881 CB SER A 122 2458 4480 3007 -810 291 876 C ATOM 1882 OG SER A 122 15.128 -13.428 29.821 1.00 23.80 O ANISOU 1882 OG SER A 122 2173 4185 2687 -883 336 916 O ATOM 1883 H SER A 122 12.947 -14.928 28.282 1.00 22.54 H ATOM 1884 HA SER A 122 14.454 -15.883 29.407 1.00 27.16 H ATOM 1885 HB2 SER A 122 13.955 -13.884 31.330 1.00 31.41 H ATOM 1886 HB3 SER A 122 15.282 -14.761 31.256 1.00 31.41 H ATOM 1887 HG SER A 122 15.547 -12.828 30.233 1.00 28.57 H ATOM 1888 N ARG A 123 12.385 -17.342 30.338 1.00 18.01 N ANISOU 1888 N ARG A 123 1522 3311 2011 -336 456 724 N ATOM 1889 CA ARG A 123 11.848 -18.482 31.067 1.00 18.06 C ANISOU 1889 CA ARG A 123 1517 3301 2043 -226 447 691 C ATOM 1890 C ARG A 123 12.991 -19.270 31.701 1.00 17.58 C ANISOU 1890 C ARG A 123 1285 3353 2043 -155 435 804 C ATOM 1891 O ARG A 123 14.048 -19.438 31.106 1.00 19.21 O ANISOU 1891 O ARG A 123 1399 3630 2269 -85 503 899 O ATOM 1892 CB ARG A 123 11.091 -19.356 30.080 1.00 23.80 C ANISOU 1892 CB ARG A 123 2386 3909 2746 -43 544 599 C ATOM 1893 CG ARG A 123 10.691 -20.708 30.594 1.00 27.35 C ANISOU 1893 CG ARG A 123 2857 4309 3227 98 556 560 C ATOM 1894 CD ARG A 123 10.299 -21.596 29.440 1.00 27.65 C ANISOU 1894 CD ARG A 123 3042 4244 3219 255 679 492 C ATOM 1895 NE ARG A 123 9.021 -21.233 28.846 1.00 29.94 N ANISOU 1895 NE ARG A 123 3528 4405 3445 203 621 360 N ATOM 1896 CZ ARG A 123 7.842 -21.646 29.294 1.00 26.89 C ANISOU 1896 CZ ARG A 123 3247 3916 3056 195 537 262 C ATOM 1897 NH1 ARG A 123 7.768 -22.403 30.375 1.00 21.53 N ANISOU 1897 NH1 ARG A 123 2517 3232 2430 230 502 264 N ATOM 1898 NH2 ARG A 123 6.732 -21.282 28.676 1.00 32.52 N ANISOU 1898 NH2 ARG A 123 4099 4546 3710 148 484 181 N ATOM 1899 H ARG A 123 12.109 -17.284 29.525 1.00 21.61 H ATOM 1900 HA ARG A 123 11.240 -18.182 31.761 1.00 21.67 H ATOM 1901 HB2 ARG A 123 10.280 -18.892 29.818 1.00 28.56 H ATOM 1902 HB3 ARG A 123 11.651 -19.495 29.300 1.00 28.56 H ATOM 1903 HG2 ARG A 123 11.440 -21.115 31.057 1.00 32.82 H ATOM 1904 HG3 ARG A 123 9.930 -20.618 31.188 1.00 32.82 H ATOM 1905 HD2 ARG A 123 10.978 -21.532 28.750 1.00 33.18 H ATOM 1906 HD3 ARG A 123 10.233 -22.511 29.755 1.00 33.18 H ATOM 1907 HE ARG A 123 9.031 -20.717 28.158 1.00 35.93 H ATOM 1908 HH11 ARG A 123 8.487 -22.647 30.779 1.00 25.83 H ATOM 1909 HH12 ARG A 123 7.001 -22.663 30.667 1.00 25.83 H ATOM 1910 HH21 ARG A 123 6.773 -20.781 27.978 1.00 39.02 H ATOM 1911 HH22 ARG A 123 5.968 -21.538 28.977 1.00 39.02 H ATOM 1912 N THR A 124 12.796 -19.737 32.927 1.00 16.78 N ANISOU 1912 N THR A 124 1143 3271 1962 -174 348 810 N ATOM 1913 CA THR A 124 13.777 -20.598 33.580 1.00 18.14 C ANISOU 1913 CA THR A 124 1171 3544 2178 -88 334 937 C ATOM 1914 C THR A 124 13.213 -21.975 33.934 1.00 17.53 C ANISOU 1914 C THR A 124 1127 3399 2136 90 383 910 C ATOM 1915 O THR A 124 13.972 -22.888 34.236 1.00 19.27 O ANISOU 1915 O THR A 124 1259 3670 2395 214 415 1022 O ATOM 1916 CB THR A 124 14.318 -19.949 34.862 1.00 18.90 C ANISOU 1916 CB THR A 124 1192 3745 2245 -284 173 1005 C ATOM 1917 OG1 THR A 124 13.225 -19.634 35.719 1.00 19.58 O ANISOU 1917 OG1 THR A 124 1394 3747 2297 -399 86 889 O ATOM 1918 CG2 THR A 124 15.110 -18.683 34.527 1.00 23.05 C ANISOU 1918 CG2 THR A 124 1687 4342 2730 -457 130 1054 C ATOM 1919 H THR A 124 12.101 -19.570 33.406 1.00 20.14 H ATOM 1920 HA THR A 124 14.525 -20.731 32.977 1.00 21.77 H ATOM 1921 HB THR A 124 14.911 -20.571 35.312 1.00 22.68 H ATOM 1922 HG1 THR A 124 13.508 -19.277 36.425 1.00 23.49 H ATOM 1923 HG21 THR A 124 15.448 -18.279 35.341 1.00 27.66 H ATOM 1924 HG22 THR A 124 15.858 -18.904 33.950 1.00 27.66 H ATOM 1925 HG23 THR A 124 14.538 -18.045 34.072 1.00 27.66 H ATOM 1926 N VAL A 125 11.886 -22.113 33.912 1.00 16.63 N ANISOU 1926 N VAL A 125 1146 3168 2003 99 391 773 N ATOM 1927 CA VAL A 125 11.237 -23.404 34.179 1.00 16.57 C ANISOU 1927 CA VAL A 125 1202 3075 2021 259 442 731 C ATOM 1928 C VAL A 125 10.657 -23.910 32.869 1.00 16.88 C ANISOU 1928 C VAL A 125 1425 2963 2027 390 567 622 C ATOM 1929 O VAL A 125 9.756 -23.305 32.304 1.00 17.85 O ANISOU 1929 O VAL A 125 1700 2984 2098 312 527 497 O ATOM 1930 CB VAL A 125 10.105 -23.303 35.228 1.00 16.03 C ANISOU 1930 CB VAL A 125 1239 2914 1937 157 306 617 C ATOM 1931 CG1 VAL A 125 9.515 -24.686 35.480 1.00 15.92 C ANISOU 1931 CG1 VAL A 125 1307 2793 1948 309 348 576 C ATOM 1932 CG2 VAL A 125 10.611 -22.663 36.542 1.00 17.31 C ANISOU 1932 CG2 VAL A 125 1269 3215 2094 -18 174 702 C ATOM 1933 H VAL A 125 11.335 -21.473 33.744 1.00 19.95 H ATOM 1934 HA VAL A 125 11.896 -24.042 34.494 1.00 19.89 H ATOM 1935 HB VAL A 125 9.400 -22.739 34.875 1.00 19.23 H ATOM 1936 HG11 VAL A 125 8.807 -24.611 36.139 1.00 19.10 H ATOM 1937 HG12 VAL A 125 9.158 -25.033 34.648 1.00 19.10 H ATOM 1938 HG13 VAL A 125 10.214 -25.272 35.810 1.00 19.10 H ATOM 1939 HG21 VAL A 125 9.876 -22.616 37.174 1.00 20.78 H ATOM 1940 HG22 VAL A 125 11.325 -23.210 36.905 1.00 20.78 H ATOM 1941 HG23 VAL A 125 10.941 -21.771 36.352 1.00 20.78 H ATOM 1942 N ASP A 126 11.206 -24.998 32.361 1.00 18.38 N ANISOU 1942 N ASP A 126 1632 3115 2237 573 702 671 N ATOM 1943 CA ASP A 126 10.772 -25.537 31.093 1.00 22.33 C ANISOU 1943 CA ASP A 126 2334 3470 2680 674 830 570 C ATOM 1944 C ASP A 126 9.398 -26.154 31.234 1.00 21.20 C ANISOU 1944 C ASP A 126 2389 3171 2497 672 796 422 C ATOM 1945 O ASP A 126 9.046 -26.729 32.263 1.00 19.56 O ANISOU 1945 O ASP A 126 2165 2936 2330 679 731 422 O ATOM 1946 CB ASP A 126 11.761 -26.590 30.581 1.00 26.07 C ANISOU 1946 CB ASP A 126 2824 3899 3182 845 966 650 C ATOM 1947 CG ASP A 126 13.113 -26.003 30.225 1.00 38.53 C ANISOU 1947 CG ASP A 126 4232 5617 4790 846 997 793 C ATOM 1948 OD1 ASP A 126 13.161 -24.852 29.726 1.00 45.57 O ANISOU 1948 OD1 ASP A 126 5088 6576 5650 726 961 776 O ATOM 1949 OD2 ASP A 126 14.131 -26.703 30.430 1.00 43.34 O ANISOU 1949 OD2 ASP A 126 4750 6267 5451 968 1062 933 O ATOM 1950 H ASP A 126 11.838 -25.445 32.736 1.00 22.06 H ATOM 1951 HA ASP A 126 10.722 -24.822 30.440 1.00 26.80 H ATOM 1952 HB2 ASP A 126 11.896 -27.258 31.271 1.00 31.28 H ATOM 1953 HB3 ASP A 126 11.395 -27.005 29.784 1.00 31.28 H ATOM 1954 N THR A 127 8.623 -26.034 30.175 1.00 17.89 N ANISOU 1954 N THR A 127 1922 2913 1962 768 587 669 N ATOM 1955 CA THR A 127 7.292 -26.591 30.131 1.00 20.04 C ANISOU 1955 CA THR A 127 2076 3451 2088 684 541 791 C ATOM 1956 C THR A 127 7.353 -28.074 30.464 1.00 17.67 C ANISOU 1956 C THR A 127 2020 3168 1527 565 501 592 C ATOM 1957 O THR A 127 6.523 -28.599 31.215 1.00 16.73 O ANISOU 1957 O THR A 127 1931 3069 1359 436 421 595 O ATOM 1958 CB THR A 127 6.702 -26.368 28.741 1.00 21.82 C ANISOU 1958 CB THR A 127 2115 4018 2156 643 488 1014 C ATOM 1959 OG1 THR A 127 6.662 -24.955 28.469 1.00 21.66 O ANISOU 1959 OG1 THR A 127 1954 3892 2383 792 516 1247 O ATOM 1960 CG2 THR A 127 5.304 -26.967 28.612 1.00 23.72 C ANISOU 1960 CG2 THR A 127 2260 4535 2216 350 326 1170 C ATOM 1961 H THR A 127 8.852 -25.625 29.453 1.00 21.46 H ATOM 1962 HA THR A 127 6.729 -26.147 30.785 1.00 24.05 H ATOM 1963 HB THR A 127 7.272 -26.798 28.084 1.00 26.18 H ATOM 1964 HG1 THR A 127 6.185 -24.566 29.040 1.00 25.99 H ATOM 1965 HG21 THR A 127 4.956 -26.810 27.720 1.00 28.46 H ATOM 1966 HG22 THR A 127 5.337 -27.923 28.773 1.00 28.46 H ATOM 1967 HG23 THR A 127 4.708 -26.559 29.259 1.00 28.46 H ATOM 1968 N LYS A 128 8.352 -28.757 29.927 1.00 17.74 N ANISOU 1968 N LYS A 128 2258 3061 1420 603 568 425 N ATOM 1969 CA LYS A 128 8.483 -30.186 30.149 1.00 16.85 C ANISOU 1969 CA LYS A 128 2439 2826 1138 484 598 234 C ATOM 1970 C LYS A 128 8.684 -30.557 31.633 1.00 18.69 C ANISOU 1970 C LYS A 128 2634 2898 1570 560 580 211 C ATOM 1971 O LYS A 128 8.116 -31.550 32.111 1.00 18.69 O ANISOU 1971 O LYS A 128 2740 2850 1512 421 514 115 O ATOM 1972 CB LYS A 128 9.646 -30.753 29.352 1.00 21.35 C ANISOU 1972 CB LYS A 128 3235 3148 1730 532 818 116 C ATOM 1973 CG LYS A 128 9.842 -32.219 29.661 1.00 29.23 C ANISOU 1973 CG LYS A 128 4478 3884 2745 423 990 -38 C ATOM 1974 CD LYS A 128 10.911 -32.843 28.853 1.00 33.02 C ANISOU 1974 CD LYS A 128 5168 4004 3373 430 1301 -85 C ATOM 1975 CE LYS A 128 11.041 -34.295 29.247 1.00 33.30 C ANISOU 1975 CE LYS A 128 5365 3713 3573 317 1566 -154 C ATOM 1976 NZ LYS A 128 11.601 -34.523 30.606 1.00 35.00 N ANISOU 1976 NZ LYS A 128 5345 3784 4168 549 1603 86 N ATOM 1977 H LYS A 128 8.967 -28.417 29.431 1.00 21.28 H ATOM 1978 HA LYS A 128 7.673 -30.623 29.843 1.00 20.22 H ATOM 1979 HB2 LYS A 128 9.462 -30.662 28.404 1.00 25.62 H ATOM 1980 HB3 LYS A 128 10.459 -30.279 29.586 1.00 25.62 H ATOM 1981 HG2 LYS A 128 10.080 -32.314 30.597 1.00 35.08 H ATOM 1982 HG3 LYS A 128 9.016 -32.693 29.480 1.00 35.08 H ATOM 1983 HD2 LYS A 128 10.682 -32.794 27.912 1.00 39.62 H ATOM 1984 HD3 LYS A 128 11.755 -32.397 29.025 1.00 39.62 H ATOM 1985 HE2 LYS A 128 10.162 -34.703 29.219 1.00 39.96 H ATOM 1986 HE3 LYS A 128 11.626 -34.736 28.611 1.00 39.96 H ATOM 1987 HZ1 LYS A 128 11.650 -35.396 30.772 1.00 41.99 H ATOM 1988 HZ2 LYS A 128 12.417 -34.172 30.662 1.00 41.99 H ATOM 1989 HZ3 LYS A 128 11.079 -34.141 31.218 1.00 41.99 H ATOM 1990 N GLN A 129 9.508 -29.787 32.356 1.00 17.34 N ANISOU 1990 N GLN A 129 2296 2641 1652 704 611 294 N ATOM 1991 CA GLN A 129 9.731 -30.040 33.781 1.00 16.72 C ANISOU 1991 CA GLN A 129 2156 2497 1700 642 536 314 C ATOM 1992 C GLN A 129 8.397 -29.996 34.509 1.00 14.65 C ANISOU 1992 C GLN A 129 1890 2312 1364 481 425 277 C ATOM 1993 O GLN A 129 8.123 -30.807 35.404 1.00 14.05 O ANISOU 1993 O GLN A 129 1865 2181 1292 390 332 242 O ATOM 1994 CB GLN A 129 10.589 -28.944 34.413 1.00 25.90 C ANISOU 1994 CB GLN A 129 3153 3673 3015 659 577 394 C ATOM 1995 CG GLN A 129 11.979 -28.745 33.919 1.00 38.41 C ANISOU 1995 CG GLN A 129 4703 5132 4760 772 616 493 C ATOM 1996 CD GLN A 129 12.598 -27.536 34.609 1.00 36.45 C ANISOU 1996 CD GLN A 129 4319 4930 4599 664 613 510 C ATOM 1997 OE1 GLN A 129 13.015 -26.577 33.962 1.00 37.59 O ANISOU 1997 OE1 GLN A 129 4489 4984 4811 653 613 450 O ATOM 1998 NE2 GLN A 129 12.627 -27.574 35.938 1.00 35.65 N ANISOU 1998 NE2 GLN A 129 4124 4987 4436 435 573 559 N ATOM 1999 H GLN A 129 9.947 -29.116 32.044 1.00 20.81 H ATOM 2000 HA GLN A 129 10.151 -30.904 33.917 1.00 20.06 H ATOM 2001 HB2 GLN A 129 10.125 -28.101 34.292 1.00 31.08 H ATOM 2002 HB3 GLN A 129 10.655 -29.133 35.363 1.00 31.08 H ATOM 2003 HG2 GLN A 129 12.514 -29.527 34.124 1.00 46.10 H ATOM 2004 HG3 GLN A 129 11.965 -28.582 32.963 1.00 46.10 H ATOM 2005 HE21 GLN A 129 12.307 -28.253 36.356 1.00 42.78 H ATOM 2006 HE22 GLN A 129 12.966 -26.918 36.380 1.00 42.78 H ATOM 2007 N ALA A 130 7.592 -28.998 34.185 1.00 15.67 N ANISOU 2007 N ALA A 130 1916 2537 1502 469 492 358 N ATOM 2008 CA ALA A 130 6.322 -28.822 34.861 1.00 16.83 C ANISOU 2008 CA ALA A 130 2033 2663 1698 339 487 425 C ATOM 2009 C ALA A 130 5.322 -29.910 34.474 1.00 15.26 C ANISOU 2009 C ALA A 130 1924 2528 1347 258 297 423 C ATOM 2010 O ALA A 130 4.588 -30.412 35.329 1.00 14.73 O ANISOU 2010 O ALA A 130 1915 2351 1329 179 229 398 O ATOM 2011 CB ALA A 130 5.774 -27.436 34.572 1.00 15.66 C ANISOU 2011 CB ALA A 130 1722 2437 1791 324 601 550 C ATOM 2012 H ALA A 130 7.758 -28.411 33.580 1.00 18.81 H ATOM 2013 HA ALA A 130 6.469 -28.886 35.818 1.00 20.19 H ATOM 2014 HB1 ALA A 130 4.925 -27.331 35.029 1.00 18.79 H ATOM 2015 HB2 ALA A 130 6.407 -26.774 34.892 1.00 18.79 H ATOM 2016 HB3 ALA A 130 5.649 -27.340 33.615 1.00 18.79 H ATOM 2017 N GLN A 131 5.274 -30.275 33.193 1.00 16.20 N ANISOU 2017 N GLN A 131 2079 2824 1252 226 231 435 N ATOM 2018 CA GLN A 131 4.393 -31.363 32.766 1.00 17.38 C ANISOU 2018 CA GLN A 131 2358 3069 1176 24 71 374 C ATOM 2019 C GLN A 131 4.784 -32.652 33.476 1.00 16.13 C ANISOU 2019 C GLN A 131 2400 2678 1050 34 101 104 C ATOM 2020 O GLN A 131 3.915 -33.410 33.894 1.00 15.77 O ANISOU 2020 O GLN A 131 2407 2590 996 -66 13 49 O ATOM 2021 CB GLN A 131 4.370 -31.587 31.249 1.00 23.58 C ANISOU 2021 CB GLN A 131 3232 4060 1669 -160 34 354 C ATOM 2022 CG GLN A 131 3.319 -32.663 30.796 1.00 34.97 C ANISOU 2022 CG GLN A 131 4795 5583 2911 -475 -116 260 C ATOM 2023 CD GLN A 131 1.923 -32.527 31.452 1.00 41.89 C ANISOU 2023 CD GLN A 131 5456 6516 3945 -544 -294 507 C ATOM 2024 OE1 GLN A 131 1.621 -33.185 32.459 1.00 37.04 O ANISOU 2024 OE1 GLN A 131 4931 5728 3415 -502 -312 399 O ATOM 2025 NE2 GLN A 131 1.060 -31.715 30.851 1.00 42.19 N ANISOU 2025 NE2 GLN A 131 5185 6784 4063 -655 -391 875 N ATOM 2026 H GLN A 131 5.733 -29.916 32.560 1.00 19.44 H ATOM 2027 HA GLN A 131 3.488 -31.145 33.039 1.00 20.86 H ATOM 2028 HB2 GLN A 131 4.148 -30.751 30.811 1.00 28.30 H ATOM 2029 HB3 GLN A 131 5.247 -31.888 30.962 1.00 28.30 H ATOM 2030 HG2 GLN A 131 3.200 -32.593 29.836 1.00 41.97 H ATOM 2031 HG3 GLN A 131 3.663 -33.542 31.018 1.00 41.97 H ATOM 2032 HE21 GLN A 131 0.271 -31.607 31.178 1.00 50.63 H ATOM 2033 HE22 GLN A 131 1.289 -31.297 30.136 1.00 50.63 H ATOM 2034 N ASP A 132 6.083 -32.896 33.612 1.00 15.54 N ANISOU 2034 N ASP A 132 2382 2446 1078 172 258 14 N ATOM 2035 CA ASP A 132 6.579 -34.098 34.306 1.00 16.42 C ANISOU 2035 CA ASP A 132 2561 2342 1336 218 376 -81 C ATOM 2036 C ASP A 132 6.094 -34.105 35.754 1.00 14.47 C ANISOU 2036 C ASP A 132 2198 2064 1235 243 234 -15 C ATOM 2037 O ASP A 132 5.659 -35.132 36.274 1.00 14.04 O ANISOU 2037 O ASP A 132 2177 1912 1246 235 255 -83 O ATOM 2038 CB ASP A 132 8.115 -34.181 34.300 1.00 17.08 C ANISOU 2038 CB ASP A 132 2597 2272 1620 375 582 22 C ATOM 2039 CG ASP A 132 8.696 -34.544 32.954 1.00 27.20 C ANISOU 2039 CG ASP A 132 4083 3423 2827 353 871 -72 C ATOM 2040 OD1 ASP A 132 7.953 -34.989 32.055 1.00 28.21 O ANISOU 2040 OD1 ASP A 132 4441 3608 2668 127 930 -280 O ATOM 2041 OD2 ASP A 132 9.927 -34.403 32.810 1.00 27.57 O ANISOU 2041 OD2 ASP A 132 4076 3302 3096 514 1063 83 O ATOM 2042 H ASP A 132 6.706 -32.384 33.313 1.00 18.65 H ATOM 2043 HA ASP A 132 6.230 -34.889 33.864 1.00 19.70 H ATOM 2044 HB2 ASP A 132 8.476 -33.319 34.556 1.00 20.49 H ATOM 2045 HB3 ASP A 132 8.395 -34.858 34.936 1.00 20.49 H ATOM 2046 N LEU A 133 6.175 -32.960 36.418 1.00 13.17 N ANISOU 2046 N LEU A 133 1925 1957 1123 245 157 96 N ATOM 2047 CA LEU A 133 5.764 -32.913 37.817 1.00 13.08 C ANISOU 2047 CA LEU A 133 1891 1891 1189 177 88 126 C ATOM 2048 C LEU A 133 4.264 -33.154 37.932 1.00 12.54 C ANISOU 2048 C LEU A 133 1889 1741 1134 138 32 99 C ATOM 2049 O LEU A 133 3.811 -33.945 38.754 1.00 12.96 O ANISOU 2049 O LEU A 133 1980 1690 1256 147 -9 59 O ATOM 2050 CB LEU A 133 6.151 -31.591 38.434 1.00 12.47 C ANISOU 2050 CB LEU A 133 1771 1847 1121 62 144 183 C ATOM 2051 CG LEU A 133 5.867 -31.459 39.925 1.00 14.98 C ANISOU 2051 CG LEU A 133 2158 2108 1426 -144 140 172 C ATOM 2052 CD1 LEU A 133 6.653 -32.466 40.747 1.00 14.05 C ANISOU 2052 CD1 LEU A 133 1956 2107 1274 -183 -7 264 C ATOM 2053 CD2 LEU A 133 6.196 -30.056 40.397 1.00 14.64 C ANISOU 2053 CD2 LEU A 133 2156 2060 1347 -384 331 145 C ATOM 2054 H LEU A 133 6.455 -32.214 36.094 1.00 15.81 H ATOM 2055 HA LEU A 133 6.220 -33.617 38.305 1.00 15.70 H ATOM 2056 HB2 LEU A 133 7.103 -31.459 38.306 1.00 14.97 H ATOM 2057 HB3 LEU A 133 5.663 -30.886 37.981 1.00 14.97 H ATOM 2058 HG LEU A 133 4.923 -31.615 40.082 1.00 17.98 H ATOM 2059 HD11 LEU A 133 6.439 -32.343 41.685 1.00 16.86 H ATOM 2060 HD12 LEU A 133 6.409 -33.362 40.466 1.00 16.86 H ATOM 2061 HD13 LEU A 133 7.601 -32.321 40.601 1.00 16.86 H ATOM 2062 HD21 LEU A 133 6.009 -29.992 41.347 1.00 17.57 H ATOM 2063 HD22 LEU A 133 7.135 -29.880 40.231 1.00 17.57 H ATOM 2064 HD23 LEU A 133 5.648 -29.422 39.908 1.00 17.57 H ATOM 2065 N ALA A 134 3.483 -32.479 37.096 1.00 12.05 N ANISOU 2065 N ALA A 134 1790 1742 1045 101 33 198 N ATOM 2066 CA ALA A 134 2.038 -32.680 37.102 1.00 13.85 C ANISOU 2066 CA ALA A 134 2009 1915 1340 44 -40 312 C ATOM 2067 C ALA A 134 1.658 -34.133 36.819 1.00 13.20 C ANISOU 2067 C ALA A 134 2025 1842 1149 9 -154 140 C ATOM 2068 O ALA A 134 0.782 -34.712 37.489 1.00 13.11 O ANISOU 2068 O ALA A 134 2043 1676 1264 23 -203 136 O ATOM 2069 CB ALA A 134 1.382 -31.732 36.102 1.00 13.64 C ANISOU 2069 CB ALA A 134 1805 2057 1321 -22 -27 618 C ATOM 2070 H ALA A 134 3.761 -31.904 36.521 1.00 14.46 H ATOM 2071 HA ALA A 134 1.700 -32.456 37.983 1.00 16.62 H ATOM 2072 HB1 ALA A 134 0.423 -31.875 36.115 1.00 16.37 H ATOM 2073 HB2 ALA A 134 1.584 -30.818 36.355 1.00 16.37 H ATOM 2074 HB3 ALA A 134 1.733 -31.916 35.216 1.00 16.37 H ATOM 2075 N ARG A 135 2.335 -34.751 35.855 1.00 13.65 N ANISOU 2075 N ARG A 135 2165 2019 1003 -49 -112 -26 N ATOM 2076 CA ARG A 135 2.077 -36.144 35.555 1.00 14.52 C ANISOU 2076 CA ARG A 135 2417 2076 1025 -150 -50 -256 C ATOM 2077 C ARG A 135 2.353 -37.029 36.793 1.00 12.91 C ANISOU 2077 C ARG A 135 2193 1627 1087 46 74 -341 C ATOM 2078 O ARG A 135 1.596 -37.949 37.084 1.00 15.41 O ANISOU 2078 O ARG A 135 2546 1831 1477 34 98 -450 O ATOM 2079 CB ARG A 135 2.921 -36.585 34.364 1.00 16.20 C ANISOU 2079 CB ARG A 135 2795 2349 1013 -290 156 -439 C ATOM 2080 CG ARG A 135 2.631 -38.007 33.930 1.00 21.69 C ANISOU 2080 CG ARG A 135 3671 2931 1640 -489 373 -714 C ATOM 2081 CD ARG A 135 3.494 -38.431 32.753 1.00 27.79 C ANISOU 2081 CD ARG A 135 4588 3638 2332 -638 663 -833 C ATOM 2082 NE ARG A 135 3.388 -37.488 31.641 1.00 34.64 N ANISOU 2082 NE ARG A 135 5466 4788 2906 -818 465 -730 N ATOM 2083 CZ ARG A 135 4.323 -36.606 31.290 1.00 35.11 C ANISOU 2083 CZ ARG A 135 5503 4884 2952 -673 501 -629 C ATOM 2084 NH1 ARG A 135 4.095 -35.794 30.265 1.00 37.07 N ANISOU 2084 NH1 ARG A 135 5709 5404 2972 -817 330 -501 N ATOM 2085 NH2 ARG A 135 5.494 -36.553 31.919 1.00 29.79 N ANISOU 2085 NH2 ARG A 135 4817 3977 2526 -388 731 -607 N ATOM 2086 H ARG A 135 2.942 -34.386 35.367 1.00 16.38 H ATOM 2087 HA ARG A 135 1.142 -36.247 35.315 1.00 17.43 H ATOM 2088 HB2 ARG A 135 2.738 -35.999 33.613 1.00 19.45 H ATOM 2089 HB3 ARG A 135 3.859 -36.530 34.605 1.00 19.45 H ATOM 2090 HG2 ARG A 135 2.812 -38.609 34.669 1.00 26.03 H ATOM 2091 HG3 ARG A 135 1.701 -38.076 33.663 1.00 26.03 H ATOM 2092 HD2 ARG A 135 4.421 -38.467 33.034 1.00 33.35 H ATOM 2093 HD3 ARG A 135 3.203 -39.302 32.441 1.00 33.35 H ATOM 2094 HE ARG A 135 2.665 -37.505 31.176 1.00 41.56 H ATOM 2095 HH11 ARG A 135 3.344 -35.830 29.847 1.00 44.48 H ATOM 2096 HH12 ARG A 135 4.697 -35.231 30.020 1.00 44.48 H ATOM 2097 HH21 ARG A 135 5.649 -37.075 32.584 1.00 35.75 H ATOM 2098 HH22 ARG A 135 6.088 -35.982 31.672 1.00 35.75 H ATOM 2099 N SER A 136 3.420 -36.723 37.524 1.00 13.91 N ANISOU 2099 N SER A 136 2220 1714 1351 199 139 -238 N ATOM 2100 CA SER A 136 3.801 -37.500 38.710 1.00 14.16 C ANISOU 2100 CA SER A 136 2141 1631 1609 343 228 -178 C ATOM 2101 C SER A 136 2.752 -37.386 39.819 1.00 15.61 C ANISOU 2101 C SER A 136 2328 1730 1874 369 71 -147 C ATOM 2102 O SER A 136 2.660 -38.259 40.673 1.00 15.48 O ANISOU 2102 O SER A 136 2236 1619 2026 484 137 -129 O ATOM 2103 CB SER A 136 5.186 -37.071 39.236 1.00 13.99 C ANISOU 2103 CB SER A 136 1955 1705 1654 387 249 47 C ATOM 2104 OG SER A 136 5.105 -35.904 40.042 1.00 13.44 O ANISOU 2104 OG SER A 136 1883 1738 1487 277 52 130 O ATOM 2105 H SER A 136 3.947 -36.064 37.357 1.00 16.69 H ATOM 2106 HA SER A 136 3.860 -38.435 38.459 1.00 16.99 H ATOM 2107 HB2 SER A 136 5.555 -37.793 39.768 1.00 16.79 H ATOM 2108 HB3 SER A 136 5.765 -36.890 38.480 1.00 16.79 H ATOM 2109 HG SER A 136 4.788 -35.267 39.594 1.00 16.13 H ATOM 2110 N TYR A 137 1.966 -36.316 39.791 1.00 13.74 N ANISOU 2110 N TYR A 137 2159 1487 1576 276 -61 -91 N ATOM 2111 CA TYR A 137 0.883 -36.102 40.749 1.00 13.80 C ANISOU 2111 CA TYR A 137 2223 1294 1727 287 -102 -26 C ATOM 2112 C TYR A 137 -0.470 -36.591 40.224 1.00 16.99 C ANISOU 2112 C TYR A 137 2622 1620 2213 278 -163 -21 C ATOM 2113 O TYR A 137 -1.437 -36.633 40.968 1.00 18.00 O ANISOU 2113 O TYR A 137 2571 1755 2511 221 -65 58 O ATOM 2114 CB TYR A 137 0.740 -34.617 41.037 1.00 12.05 C ANISOU 2114 CB TYR A 137 2049 1015 1516 160 -35 115 C ATOM 2115 CG TYR A 137 1.889 -33.962 41.751 1.00 12.99 C ANISOU 2115 CG TYR A 137 2188 1235 1514 28 31 99 C ATOM 2116 CD1 TYR A 137 2.879 -34.692 42.397 1.00 12.84 C ANISOU 2116 CD1 TYR A 137 2092 1376 1411 27 -45 90 C ATOM 2117 CD2 TYR A 137 1.965 -32.580 41.787 1.00 15.09 C ANISOU 2117 CD2 TYR A 137 2508 1450 1773 -139 212 155 C ATOM 2118 CE1 TYR A 137 3.909 -34.032 43.056 1.00 12.31 C ANISOU 2118 CE1 TYR A 137 2010 1489 1179 -204 -49 151 C ATOM 2119 CE2 TYR A 137 2.966 -31.937 42.451 1.00 15.07 C ANISOU 2119 CE2 TYR A 137 2556 1560 1612 -366 285 104 C ATOM 2120 CZ TYR A 137 3.936 -32.658 43.077 1.00 12.72 C ANISOU 2120 CZ TYR A 137 2188 1493 1152 -430 100 107 C ATOM 2121 OH TYR A 137 4.924 -31.976 43.765 1.00 16.20 O ANISOU 2121 OH TYR A 137 2651 2129 1375 -770 114 119 O ATOM 2122 H TYR A 137 2.041 -35.684 39.213 1.00 16.49 H ATOM 2123 HA TYR A 137 1.082 -36.564 41.579 1.00 16.56 H ATOM 2124 HB2 TYR A 137 0.624 -34.154 40.193 1.00 14.46 H ATOM 2125 HB3 TYR A 137 -0.050 -34.489 41.586 1.00 14.46 H ATOM 2126 HD1 TYR A 137 2.853 -35.621 42.386 1.00 15.41 H ATOM 2127 HD2 TYR A 137 1.302 -32.078 41.370 1.00 18.10 H ATOM 2128 HE1 TYR A 137 4.566 -34.519 43.499 1.00 14.78 H ATOM 2129 HE2 TYR A 137 2.991 -31.007 42.470 1.00 18.09 H ATOM 2130 HH TYR A 137 4.808 -31.147 43.687 1.00 19.44 H ATOM 2131 N GLY A 138 -0.558 -36.876 38.931 1.00 14.05 N ANISOU 2131 N GLY A 138 2097 1628 1615 244 159 -8 N ATOM 2132 CA GLY A 138 -1.830 -37.203 38.314 1.00 14.23 C ANISOU 2132 CA GLY A 138 2215 1499 1692 143 28 -59 C ATOM 2133 C GLY A 138 -2.774 -36.028 38.135 1.00 12.60 C ANISOU 2133 C GLY A 138 1876 1321 1591 26 -53 -62 C ATOM 2134 O GLY A 138 -3.989 -36.202 38.222 1.00 16.10 O ANISOU 2134 O GLY A 138 2263 1663 2192 -87 -151 -31 O ATOM 2135 H GLY A 138 0.110 -36.886 38.388 1.00 16.87 H ATOM 2136 HA2 GLY A 138 -1.665 -37.590 37.440 1.00 17.07 H ATOM 2137 HA3 GLY A 138 -2.281 -37.869 38.856 1.00 17.07 H ATOM 2138 N ILE A 139 -2.233 -34.840 37.889 1.00 12.43 N ANISOU 2138 N ILE A 139 1783 1423 1515 52 -11 -67 N ATOM 2139 CA ILE A 139 -3.036 -33.637 37.803 1.00 11.57 C ANISOU 2139 CA ILE A 139 1560 1347 1489 -32 -58 -63 C ATOM 2140 C ILE A 139 -2.774 -32.913 36.501 1.00 12.61 C ANISOU 2140 C ILE A 139 1770 1491 1530 -9 -110 -102 C ATOM 2141 O ILE A 139 -1.714 -33.048 35.909 1.00 13.43 O ANISOU 2141 O ILE A 139 1973 1623 1506 100 -38 -102 O ATOM 2142 CB ILE A 139 -2.797 -32.695 39.003 1.00 11.71 C ANISOU 2142 CB ILE A 139 1460 1470 1520 -32 38 -25 C ATOM 2143 CG1 ILE A 139 -1.397 -32.075 38.977 1.00 10.85 C ANISOU 2143 CG1 ILE A 139 1341 1471 1312 17 65 -14 C ATOM 2144 CG2 ILE A 139 -3.086 -33.433 40.287 1.00 14.24 C ANISOU 2144 CG2 ILE A 139 1775 1747 1887 -19 114 21 C ATOM 2145 CD1 ILE A 139 -1.216 -31.038 40.084 1.00 11.14 C ANISOU 2145 CD1 ILE A 139 1348 1549 1335 -14 64 14 C ATOM 2146 H ILE A 139 -1.392 -34.707 37.767 1.00 14.91 H ATOM 2147 HA ILE A 139 -3.973 -33.891 37.814 1.00 13.88 H ATOM 2148 HB ILE A 139 -3.436 -31.969 38.934 1.00 14.06 H ATOM 2149 HG12 ILE A 139 -0.736 -32.773 39.105 1.00 13.02 H ATOM 2150 HG13 ILE A 139 -1.258 -31.635 38.124 1.00 13.02 H ATOM 2151 HG21 ILE A 139 -2.934 -32.835 41.036 1.00 17.08 H ATOM 2152 HG22 ILE A 139 -4.011 -33.726 40.281 1.00 17.08 H ATOM 2153 HG23 ILE A 139 -2.496 -34.200 40.350 1.00 17.08 H ATOM 2154 HD11 ILE A 139 -0.319 -30.672 40.030 1.00 13.37 H ATOM 2155 HD12 ILE A 139 -1.869 -30.331 39.963 1.00 13.37 H ATOM 2156 HD13 ILE A 139 -1.348 -31.468 40.943 1.00 13.37 H ATOM 2157 N PRO A 140 -3.713 -32.067 36.078 1.00 10.87 N ANISOU 2157 N PRO A 140 1495 1251 1385 -87 -204 -104 N ATOM 2158 CA PRO A 140 -3.470 -31.240 34.886 1.00 12.14 C ANISOU 2158 CA PRO A 140 1746 1423 1443 -55 -244 -136 C ATOM 2159 C PRO A 140 -2.422 -30.155 35.110 1.00 9.44 C ANISOU 2159 C PRO A 140 1313 1228 1046 -7 -106 -108 C ATOM 2160 O PRO A 140 -2.253 -29.671 36.229 1.00 11.15 O ANISOU 2160 O PRO A 140 1397 1520 1320 -42 -52 -76 O ATOM 2161 CB PRO A 140 -4.842 -30.598 34.620 1.00 13.69 C ANISOU 2161 CB PRO A 140 1857 1562 1781 -162 -390 -116 C ATOM 2162 CG PRO A 140 -5.818 -31.490 35.312 1.00 14.20 C ANISOU 2162 CG PRO A 140 1822 1534 2040 -244 -457 -53 C ATOM 2163 CD PRO A 140 -5.103 -31.918 36.552 1.00 12.64 C ANISOU 2163 CD PRO A 140 1573 1416 1813 -188 -268 -42 C ATOM 2164 HA PRO A 140 -3.216 -31.792 34.131 1.00 14.57 H ATOM 2165 HB2 PRO A 140 -4.864 -29.704 34.997 1.00 16.42 H ATOM 2166 HB3 PRO A 140 -5.013 -30.574 33.666 1.00 16.42 H ATOM 2167 HG2 PRO A 140 -6.622 -30.993 35.530 1.00 17.04 H ATOM 2168 HG3 PRO A 140 -6.023 -32.253 34.750 1.00 17.04 H ATOM 2169 HD2 PRO A 140 -5.159 -31.229 37.233 1.00 15.17 H ATOM 2170 HD3 PRO A 140 -5.448 -32.767 36.869 1.00 15.17 H ATOM 2171 N PHE A 141 -1.792 -29.756 34.009 1.00 10.59 N ANISOU 2171 N PHE A 141 1566 1378 1080 73 -69 -105 N ATOM 2172 CA PHE A 141 -0.855 -28.642 33.965 1.00 10.40 C ANISOU 2172 CA PHE A 141 1436 1464 1051 98 34 -38 C ATOM 2173 C PHE A 141 -1.282 -27.687 32.865 1.00 11.75 C ANISOU 2173 C PHE A 141 1692 1606 1166 100 -7 -61 C ATOM 2174 O PHE A 141 -1.514 -28.106 31.739 1.00 12.57 O ANISOU 2174 O PHE A 141 2026 1604 1148 179 -42 -96 O ATOM 2175 CB PHE A 141 0.580 -29.129 33.690 1.00 12.22 C ANISOU 2175 CB PHE A 141 1672 1731 1240 238 199 68 C ATOM 2176 CG PHE A 141 1.539 -28.017 33.345 1.00 12.46 C ANISOU 2176 CG PHE A 141 1574 1842 1318 261 299 195 C ATOM 2177 CD1 PHE A 141 1.737 -26.951 34.203 1.00 11.73 C ANISOU 2177 CD1 PHE A 141 1290 1823 1345 121 217 237 C ATOM 2178 CD2 PHE A 141 2.250 -28.049 32.169 1.00 15.93 C ANISOU 2178 CD2 PHE A 141 2120 2252 1681 435 479 295 C ATOM 2179 CE1 PHE A 141 2.598 -25.932 33.886 1.00 13.79 C ANISOU 2179 CE1 PHE A 141 1423 2129 1689 107 265 377 C ATOM 2180 CE2 PHE A 141 3.119 -27.030 31.863 1.00 16.34 C ANISOU 2180 CE2 PHE A 141 2012 2369 1830 450 589 459 C ATOM 2181 CZ PHE A 141 3.286 -25.966 32.725 1.00 15.81 C ANISOU 2181 CZ PHE A 141 1707 2378 1924 263 458 502 C ATOM 2182 H PHE A 141 -1.898 -30.134 33.243 1.00 12.71 H ATOM 2183 HA PHE A 141 -0.867 -28.169 34.812 1.00 12.48 H ATOM 2184 HB2 PHE A 141 0.916 -29.577 34.483 1.00 14.67 H ATOM 2185 HB3 PHE A 141 0.563 -29.749 32.944 1.00 14.67 H ATOM 2186 HD1 PHE A 141 1.260 -26.913 35.000 1.00 14.08 H ATOM 2187 HD2 PHE A 141 2.137 -28.757 31.577 1.00 19.12 H ATOM 2188 HE1 PHE A 141 2.714 -25.222 34.474 1.00 16.55 H ATOM 2189 HE2 PHE A 141 3.593 -27.054 31.063 1.00 19.61 H ATOM 2190 HZ PHE A 141 3.880 -25.282 32.513 1.00 18.98 H ATOM 2191 N ILE A 142 -1.360 -26.401 33.179 1.00 10.18 N ANISOU 2191 N ILE A 142 1367 1475 1028 26 -14 -40 N ATOM 2192 CA ILE A 142 -1.731 -25.375 32.209 1.00 11.14 C ANISOU 2192 CA ILE A 142 1556 1575 1102 30 -43 -50 C ATOM 2193 C ILE A 142 -0.783 -24.189 32.368 1.00 11.70 C ANISOU 2193 C ILE A 142 1508 1728 1208 9 46 39 C ATOM 2194 O ILE A 142 -0.532 -23.737 33.481 1.00 11.08 O ANISOU 2194 O ILE A 142 1305 1692 1212 -80 18 66 O ATOM 2195 CB ILE A 142 -3.207 -24.970 32.419 1.00 12.75 C ANISOU 2195 CB ILE A 142 1726 1734 1383 -59 -185 -101 C ATOM 2196 CG1 ILE A 142 -4.143 -26.177 32.175 1.00 21.50 C ANISOU 2196 CG1 ILE A 142 2915 2731 2525 -77 -330 -138 C ATOM 2197 CG2 ILE A 142 -3.605 -23.812 31.526 1.00 17.76 C ANISOU 2197 CG2 ILE A 142 2414 2352 1980 -55 -227 -102 C ATOM 2198 CD1 ILE A 142 -5.587 -25.961 32.598 1.00 22.67 C ANISOU 2198 CD1 ILE A 142 2922 2835 2857 -166 -448 -104 C ATOM 2199 H ILE A 142 -1.199 -26.089 33.964 1.00 12.22 H ATOM 2200 HA ILE A 142 -1.634 -25.728 31.310 1.00 13.37 H ATOM 2201 HB ILE A 142 -3.314 -24.688 33.342 1.00 15.30 H ATOM 2202 HG12 ILE A 142 -4.142 -26.381 31.227 1.00 25.80 H ATOM 2203 HG13 ILE A 142 -3.803 -26.937 32.672 1.00 25.80 H ATOM 2204 HG21 ILE A 142 -4.535 -23.591 31.690 1.00 21.31 H ATOM 2205 HG22 ILE A 142 -3.043 -23.048 31.730 1.00 21.31 H ATOM 2206 HG23 ILE A 142 -3.486 -24.073 30.599 1.00 21.31 H ATOM 2207 HD11 ILE A 142 -6.095 -26.765 32.408 1.00 27.20 H ATOM 2208 HD12 ILE A 142 -5.612 -25.770 33.548 1.00 27.20 H ATOM 2209 HD13 ILE A 142 -5.953 -25.213 32.100 1.00 27.20 H ATOM 2210 N GLU A 143 -0.282 -23.662 31.265 1.00 11.45 N ANISOU 2210 N GLU A 143 1551 1687 1113 90 134 98 N ATOM 2211 CA GLU A 143 0.473 -22.411 31.269 1.00 11.68 C ANISOU 2211 CA GLU A 143 1458 1765 1215 45 192 209 C ATOM 2212 C GLU A 143 -0.502 -21.266 31.049 1.00 12.33 C ANISOU 2212 C GLU A 143 1597 1819 1268 -21 96 135 C ATOM 2213 O GLU A 143 -1.435 -21.349 30.233 1.00 13.17 O ANISOU 2213 O GLU A 143 1856 1866 1282 29 38 56 O ATOM 2214 CB GLU A 143 1.623 -22.412 30.223 1.00 18.49 C ANISOU 2214 CB GLU A 143 2336 2627 2062 194 405 376 C ATOM 2215 CG GLU A 143 2.777 -23.352 30.633 1.00 24.75 C ANISOU 2215 CG GLU A 143 2988 3460 2955 267 534 524 C ATOM 2216 CD GLU A 143 4.108 -23.093 29.926 1.00 30.83 C ANISOU 2216 CD GLU A 143 3651 4222 3840 396 745 763 C ATOM 2217 OE1 GLU A 143 4.140 -22.331 28.941 1.00 33.29 O ANISOU 2217 OE1 GLU A 143 4056 4483 4109 463 827 795 O ATOM 2218 OE2 GLU A 143 5.137 -23.664 30.374 1.00 24.67 O ANISOU 2218 OE2 GLU A 143 2703 3453 3220 432 778 901 O ATOM 2219 H GLU A 143 -0.365 -24.013 30.484 1.00 13.74 H ATOM 2220 HA GLU A 143 0.873 -22.293 32.144 1.00 14.02 H ATOM 2221 HB2 GLU A 143 1.277 -22.713 29.368 1.00 22.19 H ATOM 2222 HB3 GLU A 143 1.980 -21.514 30.140 1.00 22.19 H ATOM 2223 HG2 GLU A 143 2.929 -23.255 31.586 1.00 29.70 H ATOM 2224 HG3 GLU A 143 2.515 -24.265 30.437 1.00 29.70 H ATOM 2225 N THR A 144 -0.284 -20.190 31.784 1.00 10.58 N ANISOU 2225 N THR A 144 1280 1615 1125 -134 50 173 N ATOM 2226 CA THR A 144 -1.173 -19.047 31.771 1.00 10.52 C ANISOU 2226 CA THR A 144 1337 1570 1091 -180 -16 117 C ATOM 2227 C THR A 144 -0.411 -17.746 31.664 1.00 9.74 C ANISOU 2227 C THR A 144 1209 1457 1033 -248 -6 216 C ATOM 2228 O THR A 144 0.782 -17.665 31.965 1.00 9.88 O ANISOU 2228 O THR A 144 1107 1491 1157 -311 0 347 O ATOM 2229 CB THR A 144 -2.035 -18.979 33.071 1.00 10.71 C ANISOU 2229 CB THR A 144 1370 1564 1134 -236 -92 48 C ATOM 2230 OG1 THR A 144 -1.204 -18.836 34.221 1.00 9.58 O ANISOU 2230 OG1 THR A 144 1206 1410 1024 -320 -140 91 O ATOM 2231 CG2 THR A 144 -2.901 -20.229 33.245 1.00 10.89 C ANISOU 2231 CG2 THR A 144 1379 1586 1175 -189 -104 -11 C ATOM 2232 H THR A 144 0.389 -20.097 32.310 1.00 12.70 H ATOM 2233 HA THR A 144 -1.771 -19.114 31.011 1.00 12.62 H ATOM 2234 HB THR A 144 -2.627 -18.212 33.014 1.00 12.85 H ATOM 2235 HG1 THR A 144 -0.752 -18.131 34.163 1.00 11.50 H ATOM 2236 HG21 THR A 144 -3.424 -20.158 34.059 1.00 13.07 H ATOM 2237 HG22 THR A 144 -3.503 -20.323 32.490 1.00 13.07 H ATOM 2238 HG23 THR A 144 -2.338 -21.017 33.299 1.00 13.07 H ATOM 2239 N SER A 145 -1.144 -16.720 31.255 1.00 9.89 N ANISOU 2239 N SER A 145 1324 1435 1000 -246 -26 178 N ATOM 2240 CA SER A 145 -0.738 -15.345 31.432 1.00 11.23 C ANISOU 2240 CA SER A 145 1517 1552 1199 -337 -61 242 C ATOM 2241 C SER A 145 -1.905 -14.552 31.953 1.00 10.90 C ANISOU 2241 C SER A 145 1611 1442 1088 -336 -115 151 C ATOM 2242 O SER A 145 -2.950 -14.453 31.291 1.00 9.88 O ANISOU 2242 O SER A 145 1527 1313 913 -245 -88 101 O ATOM 2243 CB SER A 145 -0.273 -14.720 30.122 1.00 10.31 C ANISOU 2243 CB SER A 145 1407 1433 1078 -287 43 339 C ATOM 2244 OG SER A 145 -0.102 -13.327 30.265 1.00 11.26 O ANISOU 2244 OG SER A 145 1571 1480 1226 -384 -10 392 O ATOM 2245 H SER A 145 -1.903 -16.804 30.859 1.00 11.87 H ATOM 2246 HA SER A 145 -0.014 -15.296 32.077 1.00 13.48 H ATOM 2247 HB2 SER A 145 0.573 -15.117 29.865 1.00 12.38 H ATOM 2248 HB3 SER A 145 -0.940 -14.887 29.438 1.00 12.38 H ATOM 2249 HG SER A 145 0.474 -13.168 30.856 1.00 13.51 H ATOM 2250 N ALA A 146 -1.761 -14.001 33.155 1.00 11.09 N ANISOU 2250 N ALA A 146 1730 1382 1100 -419 -199 147 N ATOM 2251 CA ALA A 146 -2.797 -13.122 33.673 1.00 12.63 C ANISOU 2251 CA ALA A 146 2117 1477 1203 -367 -189 93 C ATOM 2252 C ALA A 146 -2.893 -11.851 32.852 1.00 14.58 C ANISOU 2252 C ALA A 146 2442 1675 1421 -367 -176 124 C ATOM 2253 O ALA A 146 -3.906 -11.169 32.897 1.00 15.01 O ANISOU 2253 O ALA A 146 2622 1669 1413 -273 -121 98 O ATOM 2254 CB ALA A 146 -2.544 -12.779 35.135 1.00 13.48 C ANISOU 2254 CB ALA A 146 2440 1448 1234 -425 -281 81 C ATOM 2255 H ALA A 146 -1.088 -14.118 33.678 1.00 13.30 H ATOM 2256 HA ALA A 146 -3.652 -13.577 33.617 1.00 15.15 H ATOM 2257 HB1 ALA A 146 -3.251 -12.193 35.448 1.00 16.18 H ATOM 2258 HB2 ALA A 146 -2.538 -13.598 35.655 1.00 16.18 H ATOM 2259 HB3 ALA A 146 -1.686 -12.332 35.210 1.00 16.18 H ATOM 2260 N LYS A 147 -1.839 -11.524 32.117 1.00 13.55 N ANISOU 2260 N LYS A 147 2229 1564 1356 -454 -200 211 N ATOM 2261 CA LYS A 147 -1.840 -10.310 31.311 1.00 13.59 C ANISOU 2261 CA LYS A 147 2312 1511 1338 -458 -176 258 C ATOM 2262 C LYS A 147 -2.666 -10.460 30.024 1.00 15.51 C ANISOU 2262 C LYS A 147 2532 1828 1535 -307 -69 228 C ATOM 2263 O LYS A 147 -3.528 -9.626 29.719 1.00 16.04 O ANISOU 2263 O LYS A 147 2714 1842 1538 -237 -52 204 O ATOM 2264 CB LYS A 147 -0.410 -9.877 30.992 1.00 14.18 C ANISOU 2264 CB LYS A 147 2283 1560 1544 -602 -219 417 C ATOM 2265 CG LYS A 147 -0.323 -8.565 30.237 1.00 21.66 C ANISOU 2265 CG LYS A 147 3319 2426 2486 -624 -192 490 C ATOM 2266 CD LYS A 147 1.103 -8.112 30.062 1.00 29.01 C ANISOU 2266 CD LYS A 147 4100 3305 3618 -791 -243 708 C ATOM 2267 CE LYS A 147 1.169 -6.907 29.132 1.00 31.30 C ANISOU 2267 CE LYS A 147 4455 3524 3914 -783 -166 794 C ATOM 2268 NZ LYS A 147 2.552 -6.430 29.018 1.00 38.07 N ANISOU 2268 NZ LYS A 147 5099 4350 5017 -886 -197 976 N ATOM 2269 H LYS A 147 -1.115 -11.985 32.067 1.00 16.26 H ATOM 2270 HA LYS A 147 -2.246 -9.600 31.832 1.00 16.30 H ATOM 2271 HB2 LYS A 147 0.078 -9.773 31.824 1.00 17.01 H ATOM 2272 HB3 LYS A 147 0.010 -10.561 30.448 1.00 17.01 H ATOM 2273 HG2 LYS A 147 -0.715 -8.677 29.357 1.00 26.00 H ATOM 2274 HG3 LYS A 147 -0.800 -7.880 30.732 1.00 26.00 H ATOM 2275 HD2 LYS A 147 1.469 -7.857 30.923 1.00 34.81 H ATOM 2276 HD3 LYS A 147 1.625 -8.831 29.672 1.00 34.81 H ATOM 2277 HE2 LYS A 147 0.857 -7.161 28.250 1.00 37.56 H ATOM 2278 HE3 LYS A 147 0.625 -6.190 29.492 1.00 37.56 H ATOM 2279 HZ1 LYS A 147 2.587 -5.726 28.474 1.00 45.69 H ATOM 2280 HZ2 LYS A 147 2.859 -6.192 29.819 1.00 45.69 H ATOM 2281 HZ3 LYS A 147 3.070 -7.075 28.689 1.00 45.69 H ATOM 2282 N THR A 148 -2.446 -11.544 29.290 1.00 12.43 N ANISOU 2282 N THR A 148 2032 1530 1160 -246 -16 235 N ATOM 2283 CA THR A 148 -3.130 -11.771 28.021 1.00 12.61 C ANISOU 2283 CA THR A 148 2117 1572 1103 -112 16 208 C ATOM 2284 C THR A 148 -4.398 -12.606 28.190 1.00 11.73 C ANISOU 2284 C THR A 148 1988 1477 992 -50 -72 120 C ATOM 2285 O THR A 148 -5.192 -12.712 27.251 1.00 13.37 O ANISOU 2285 O THR A 148 2265 1661 1153 33 -139 104 O ATOM 2286 CB THR A 148 -2.243 -12.524 27.012 1.00 12.75 C ANISOU 2286 CB THR A 148 2136 1622 1087 -39 121 276 C ATOM 2287 OG1 THR A 148 -2.044 -13.862 27.482 1.00 12.36 O ANISOU 2287 OG1 THR A 148 2002 1624 1068 -36 109 243 O ATOM 2288 CG2 THR A 148 -0.911 -11.834 26.791 1.00 14.73 C ANISOU 2288 CG2 THR A 148 2319 1858 1418 -89 249 444 C ATOM 2289 H THR A 148 -1.898 -12.171 29.507 1.00 14.91 H ATOM 2290 HA THR A 148 -3.377 -10.917 27.633 1.00 15.14 H ATOM 2291 HB THR A 148 -2.703 -12.559 26.159 1.00 15.30 H ATOM 2292 HG1 THR A 148 -1.562 -14.287 26.942 1.00 14.83 H ATOM 2293 HG21 THR A 148 -0.381 -12.335 26.151 1.00 17.67 H ATOM 2294 HG22 THR A 148 -1.055 -10.938 26.448 1.00 17.67 H ATOM 2295 HG23 THR A 148 -0.425 -11.777 27.628 1.00 17.67 H ATOM 2296 N ARG A 149 -4.547 -13.218 29.363 1.00 11.19 N ANISOU 2296 N ARG A 149 1830 1429 992 -95 -91 89 N ATOM 2297 CA ARG A 149 -5.632 -14.155 29.685 1.00 11.38 C ANISOU 2297 CA ARG A 149 1777 1463 1082 -55 -152 56 C ATOM 2298 C ARG A 149 -5.437 -15.547 29.113 1.00 11.60 C ANISOU 2298 C ARG A 149 1787 1520 1102 -42 -211 26 C ATOM 2299 O ARG A 149 -6.297 -16.408 29.295 1.00 10.85 O ANISOU 2299 O ARG A 149 1624 1411 1088 -36 -301 16 O ATOM 2300 CB ARG A 149 -7.041 -13.651 29.338 1.00 13.78 C ANISOU 2300 CB ARG A 149 2069 1721 1444 18 -209 89 C ATOM 2301 CG ARG A 149 -7.523 -12.499 30.135 1.00 22.84 C ANISOU 2301 CG ARG A 149 3255 2817 2607 58 -111 132 C ATOM 2302 CD ARG A 149 -8.976 -12.197 29.844 1.00 23.10 C ANISOU 2302 CD ARG A 149 3201 2813 2762 159 -139 223 C ATOM 2303 NE ARG A 149 -9.856 -13.311 30.187 1.00 24.49 N ANISOU 2303 NE ARG A 149 3178 3000 3127 171 -191 289 N ATOM 2304 CZ ARG A 149 -10.517 -13.420 31.336 1.00 24.34 C ANISOU 2304 CZ ARG A 149 3063 2954 3231 244 -42 382 C ATOM 2305 NH1 ARG A 149 -11.312 -14.454 31.539 1.00 31.78 N ANISOU 2305 NH1 ARG A 149 3786 3899 4392 242 -92 481 N ATOM 2306 NH2 ARG A 149 -10.425 -12.475 32.256 1.00 31.43 N ANISOU 2306 NH2 ARG A 149 4119 3793 4032 332 160 397 N ATOM 2307 H ARG A 149 -4.006 -13.102 30.021 1.00 13.42 H ATOM 2308 HA ARG A 149 -5.624 -14.263 30.649 1.00 13.65 H ATOM 2309 HB2 ARG A 149 -7.050 -13.384 28.406 1.00 16.53 H ATOM 2310 HB3 ARG A 149 -7.668 -14.380 29.471 1.00 16.53 H ATOM 2311 HG2 ARG A 149 -7.439 -12.705 31.079 1.00 27.41 H ATOM 2312 HG3 ARG A 149 -6.999 -11.714 29.913 1.00 27.41 H ATOM 2313 HD2 ARG A 149 -9.249 -11.426 30.364 1.00 27.72 H ATOM 2314 HD3 ARG A 149 -9.078 -12.013 28.897 1.00 27.72 H ATOM 2315 HE ARG A 149 -9.953 -13.939 29.607 1.00 29.39 H ATOM 2316 HH11 ARG A 149 -11.377 -15.070 30.942 1.00 38.14 H ATOM 2317 HH12 ARG A 149 -11.740 -14.528 32.281 1.00 38.14 H ATOM 2318 HH21 ARG A 149 -9.918 -11.794 32.124 1.00 37.72 H ATOM 2319 HH22 ARG A 149 -10.860 -12.551 32.995 1.00 37.72 H ATOM 2320 N GLN A 150 -4.326 -15.804 28.427 1.00 11.16 N ANISOU 2320 N GLN A 150 1802 1481 958 -22 -147 40 N ATOM 2321 CA GLN A 150 -4.040 -17.163 27.979 1.00 11.55 C ANISOU 2321 CA GLN A 150 1905 1525 957 27 -164 16 C ATOM 2322 C GLN A 150 -4.200 -18.139 29.154 1.00 10.29 C ANISOU 2322 C GLN A 150 1608 1401 902 -33 -192 -14 C ATOM 2323 O GLN A 150 -3.601 -17.958 30.221 1.00 10.67 O ANISOU 2323 O GLN A 150 1549 1495 1009 -95 -123 9 O ATOM 2324 CB GLN A 150 -2.615 -17.266 27.452 1.00 12.45 C ANISOU 2324 CB GLN A 150 2070 1659 1003 90 12 94 C ATOM 2325 CG GLN A 150 -2.217 -18.697 27.151 1.00 13.86 C ANISOU 2325 CG GLN A 150 2339 1816 1111 180 49 84 C ATOM 2326 CD GLN A 150 -0.898 -18.845 26.425 1.00 17.98 C ANISOU 2326 CD GLN A 150 2937 2332 1564 319 291 215 C ATOM 2327 OE1 GLN A 150 -0.288 -17.876 25.983 1.00 18.32 O ANISOU 2327 OE1 GLN A 150 2957 2380 1623 347 429 331 O ATOM 2328 NE2 GLN A 150 -0.466 -20.086 26.280 1.00 20.57 N ANISOU 2328 NE2 GLN A 150 3360 2631 1824 428 368 225 N ATOM 2329 H GLN A 150 -3.733 -15.220 28.211 1.00 13.39 H ATOM 2330 HA GLN A 150 -4.656 -17.416 27.274 1.00 13.86 H ATOM 2331 HB2 GLN A 150 -2.541 -16.754 26.632 1.00 14.94 H ATOM 2332 HB3 GLN A 150 -2.003 -16.917 28.119 1.00 14.94 H ATOM 2333 HG2 GLN A 150 -2.148 -19.182 27.988 1.00 16.63 H ATOM 2334 HG3 GLN A 150 -2.904 -19.100 26.597 1.00 16.63 H ATOM 2335 HE21 GLN A 150 -0.929 -20.741 26.589 1.00 24.68 H ATOM 2336 HE22 GLN A 150 0.278 -20.238 25.876 1.00 24.68 H ATOM 2337 N GLY A 151 -5.005 -19.169 28.956 1.00 10.43 N ANISOU 2337 N GLY A 151 1653 1371 941 -22 -322 -53 N ATOM 2338 CA GLY A 151 -5.147 -20.254 29.900 1.00 11.33 C ANISOU 2338 CA GLY A 151 1659 1499 1146 -64 -337 -68 C ATOM 2339 C GLY A 151 -5.905 -19.966 31.175 1.00 11.14 C ANISOU 2339 C GLY A 151 1468 1494 1271 -112 -312 -37 C ATOM 2340 O GLY A 151 -6.092 -20.900 31.956 1.00 11.38 O ANISOU 2340 O GLY A 151 1420 1524 1379 -133 -307 -33 O ATOM 2341 H GLY A 151 -5.495 -19.262 28.255 1.00 12.52 H ATOM 2342 HA2 GLY A 151 -5.597 -20.990 29.455 1.00 13.60 H ATOM 2343 HA3 GLY A 151 -4.262 -20.559 30.151 1.00 13.60 H ATOM 2344 N VAL A 152 -6.321 -18.719 31.427 1.00 11.23 N ANISOU 2344 N VAL A 152 1845 1583 840 181 151 243 N ATOM 2345 CA VAL A 152 -6.814 -18.376 32.752 1.00 12.40 C ANISOU 2345 CA VAL A 152 1978 1656 1077 217 124 218 C ATOM 2346 C VAL A 152 -8.148 -19.061 33.049 1.00 11.47 C ANISOU 2346 C VAL A 152 1775 1640 942 273 61 210 C ATOM 2347 O VAL A 152 -8.312 -19.732 34.082 1.00 11.40 O ANISOU 2347 O VAL A 152 1733 1622 977 250 51 131 O ATOM 2348 CB VAL A 152 -6.934 -16.859 32.902 1.00 12.25 C ANISOU 2348 CB VAL A 152 2069 1489 1096 276 194 303 C ATOM 2349 CG1 VAL A 152 -7.608 -16.507 34.211 1.00 13.78 C ANISOU 2349 CG1 VAL A 152 2337 1561 1337 323 254 254 C ATOM 2350 CG2 VAL A 152 -5.561 -16.235 32.832 1.00 11.98 C ANISOU 2350 CG2 VAL A 152 2110 1347 1095 150 232 312 C ATOM 2351 H VAL A 152 -6.325 -18.073 30.859 1.00 13.48 H ATOM 2352 HA VAL A 152 -6.173 -18.686 33.410 1.00 14.88 H ATOM 2353 HB VAL A 152 -7.470 -16.504 32.175 1.00 14.70 H ATOM 2354 HG11 VAL A 152 -7.672 -15.542 34.284 1.00 16.53 H ATOM 2355 HG12 VAL A 152 -8.494 -16.901 34.225 1.00 16.53 H ATOM 2356 HG13 VAL A 152 -7.078 -16.860 34.943 1.00 16.53 H ATOM 2357 HG21 VAL A 152 -5.646 -15.273 32.928 1.00 14.37 H ATOM 2358 HG22 VAL A 152 -5.015 -16.592 33.550 1.00 14.37 H ATOM 2359 HG23 VAL A 152 -5.160 -16.447 31.975 1.00 14.37 H ATOM 2360 N ASP A 153 -9.112 -18.894 32.157 1.00 11.60 N ANISOU 2360 N ASP A 153 1736 1774 898 321 0 334 N ATOM 2361 CA ASP A 153 -10.379 -19.566 32.344 1.00 12.51 C ANISOU 2361 CA ASP A 153 1708 2023 1021 329 -91 385 C ATOM 2362 C ASP A 153 -10.172 -21.079 32.373 1.00 10.63 C ANISOU 2362 C ASP A 153 1482 1842 714 175 -147 226 C ATOM 2363 O ASP A 153 -10.771 -21.790 33.177 1.00 11.87 O ANISOU 2363 O ASP A 153 1554 2022 933 161 -166 192 O ATOM 2364 CB ASP A 153 -11.360 -19.204 31.213 1.00 15.07 C ANISOU 2364 CB ASP A 153 1928 2502 1295 325 -218 600 C ATOM 2365 CG ASP A 153 -11.747 -17.745 31.210 1.00 20.71 C ANISOU 2365 CG ASP A 153 2594 3126 2149 516 -122 804 C ATOM 2366 OD1 ASP A 153 -12.391 -17.328 32.155 1.00 27.43 O ANISOU 2366 OD1 ASP A 153 3364 3891 3166 682 9 877 O ATOM 2367 OD2 ASP A 153 -11.433 -16.999 30.253 1.00 26.43 O ANISOU 2367 OD2 ASP A 153 3383 3831 2828 504 -136 888 O ATOM 2368 H ASP A 153 -9.058 -18.407 31.451 1.00 13.92 H ATOM 2369 HA ASP A 153 -10.770 -19.292 33.189 1.00 15.01 H ATOM 2370 HB2 ASP A 153 -10.944 -19.405 30.360 1.00 18.08 H ATOM 2371 HB3 ASP A 153 -12.169 -19.728 31.318 1.00 18.08 H ATOM 2372 N ASP A 154 -9.331 -21.583 31.474 1.00 11.45 N ANISOU 2372 N ASP A 154 1716 1939 696 70 -125 139 N ATOM 2373 CA ASP A 154 -9.077 -23.002 31.399 1.00 13.85 C ANISOU 2373 CA ASP A 154 2092 2210 961 -49 -94 -10 C ATOM 2374 C ASP A 154 -8.595 -23.540 32.746 1.00 11.93 C ANISOU 2374 C ASP A 154 1779 1867 887 3 -24 -76 C ATOM 2375 O ASP A 154 -9.008 -24.608 33.179 1.00 12.41 O ANISOU 2375 O ASP A 154 1822 1922 971 -58 -39 -136 O ATOM 2376 CB ASP A 154 -7.969 -23.353 30.366 1.00 11.70 C ANISOU 2376 CB ASP A 154 1971 1851 624 -87 56 -89 C ATOM 2377 CG ASP A 154 -8.216 -22.846 28.953 1.00 15.26 C ANISOU 2377 CG ASP A 154 2509 2375 916 -140 10 -29 C ATOM 2378 OD1 ASP A 154 -8.674 -21.691 28.762 1.00 16.27 O ANISOU 2378 OD1 ASP A 154 2588 2578 1017 -78 -87 121 O ATOM 2379 OD2 ASP A 154 -7.880 -23.625 28.016 1.00 15.77 O ANISOU 2379 OD2 ASP A 154 2729 2383 880 -244 99 -124 O ATOM 2380 H ASP A 154 -8.898 -21.116 30.897 1.00 13.74 H ATOM 2381 HA ASP A 154 -9.891 -23.467 31.151 1.00 16.62 H ATOM 2382 HB2 ASP A 154 -7.131 -22.969 30.670 1.00 14.04 H ATOM 2383 HB3 ASP A 154 -7.886 -24.318 30.319 1.00 14.04 H ATOM 2384 N ALA A 155 -7.693 -22.817 33.387 1.00 10.87 N ANISOU 2384 N ALA A 155 1619 1649 861 78 34 -44 N ATOM 2385 CA ALA A 155 -7.133 -23.276 34.648 1.00 9.35 C ANISOU 2385 CA ALA A 155 1367 1390 794 77 46 -53 C ATOM 2386 C ALA A 155 -8.204 -23.416 35.728 1.00 10.78 C ANISOU 2386 C ALA A 155 1510 1606 981 85 -13 -59 C ATOM 2387 O ALA A 155 -8.311 -24.472 36.379 1.00 10.41 O ANISOU 2387 O ALA A 155 1426 1551 979 50 -17 -81 O ATOM 2388 CB ALA A 155 -6.032 -22.350 35.089 1.00 11.24 C ANISOU 2388 CB ALA A 155 1601 1569 1099 66 52 15 C ATOM 2389 H ALA A 155 -7.389 -22.060 33.116 1.00 13.04 H ATOM 2390 HA ALA A 155 -6.740 -24.152 34.511 1.00 11.22 H ATOM 2391 HB1 ALA A 155 -5.669 -22.669 35.930 1.00 13.48 H ATOM 2392 HB2 ALA A 155 -5.338 -22.340 34.411 1.00 13.48 H ATOM 2393 HB3 ALA A 155 -6.396 -21.458 35.203 1.00 13.48 H ATOM 2394 N PHE A 156 -9.008 -22.382 35.908 1.00 10.22 N ANISOU 2394 N PHE A 156 1448 1551 884 151 -13 -14 N ATOM 2395 CA PHE A 156 -10.029 -22.407 36.942 1.00 10.92 C ANISOU 2395 CA PHE A 156 1505 1647 996 193 19 4 C ATOM 2396 C PHE A 156 -11.125 -23.430 36.628 1.00 11.46 C ANISOU 2396 C PHE A 156 1435 1838 1081 160 -37 34 C ATOM 2397 O PHE A 156 -11.565 -24.158 37.493 1.00 12.46 O ANISOU 2397 O PHE A 156 1521 1971 1243 132 -17 25 O ATOM 2398 CB PHE A 156 -10.618 -21.018 37.142 1.00 10.71 C ANISOU 2398 CB PHE A 156 1533 1551 985 319 130 74 C ATOM 2399 CG PHE A 156 -9.752 -20.090 37.937 1.00 11.97 C ANISOU 2399 CG PHE A 156 1912 1540 1094 276 207 10 C ATOM 2400 CD1 PHE A 156 -9.768 -20.115 39.318 1.00 12.00 C ANISOU 2400 CD1 PHE A 156 2069 1459 1030 211 277 -55 C ATOM 2401 CD2 PHE A 156 -8.949 -19.167 37.298 1.00 11.73 C ANISOU 2401 CD2 PHE A 156 1970 1433 1055 255 203 23 C ATOM 2402 CE1 PHE A 156 -8.994 -19.219 40.041 1.00 12.10 C ANISOU 2402 CE1 PHE A 156 2354 1313 931 80 314 -121 C ATOM 2403 CE2 PHE A 156 -8.171 -18.280 38.035 1.00 12.70 C ANISOU 2403 CE2 PHE A 156 2322 1389 1114 138 246 -32 C ATOM 2404 CZ PHE A 156 -8.206 -18.319 39.404 1.00 12.77 C ANISOU 2404 CZ PHE A 156 2514 1317 1021 30 286 -111 C ATOM 2405 H PHE A 156 -8.985 -21.655 35.448 1.00 12.26 H ATOM 2406 HA PHE A 156 -9.614 -22.671 37.777 1.00 13.10 H ATOM 2407 HB2 PHE A 156 -10.763 -20.614 36.272 1.00 12.85 H ATOM 2408 HB3 PHE A 156 -11.464 -21.103 37.608 1.00 12.85 H ATOM 2409 HD1 PHE A 156 -10.314 -20.721 39.764 1.00 14.40 H ATOM 2410 HD2 PHE A 156 -8.933 -19.133 36.369 1.00 14.08 H ATOM 2411 HE1 PHE A 156 -9.006 -19.246 40.970 1.00 14.52 H ATOM 2412 HE2 PHE A 156 -7.628 -17.663 37.600 1.00 15.24 H ATOM 2413 HZ PHE A 156 -7.678 -17.733 39.898 1.00 15.33 H ATOM 2414 N TYR A 157 -11.550 -23.488 35.372 1.00 10.65 N ANISOU 2414 N TYR A 157 1279 1840 927 118 -127 84 N ATOM 2415 CA TYR A 157 -12.631 -24.381 35.031 1.00 12.51 C ANISOU 2415 CA TYR A 157 1394 2210 1150 0 -235 136 C ATOM 2416 C TYR A 157 -12.176 -25.840 35.012 1.00 12.47 C ANISOU 2416 C TYR A 157 1495 2139 1105 -161 -240 -14 C ATOM 2417 O TYR A 157 -12.932 -26.729 35.413 1.00 12.14 O ANISOU 2417 O TYR A 157 1381 2132 1100 -264 -276 -2 O ATOM 2418 CB TYR A 157 -13.303 -23.904 33.721 1.00 13.51 C ANISOU 2418 CB TYR A 157 1446 2500 1188 -60 -383 287 C ATOM 2419 CG TYR A 157 -13.873 -22.483 33.875 1.00 16.53 C ANISOU 2419 CG TYR A 157 1682 2906 1692 162 -322 506 C ATOM 2420 CD1 TYR A 157 -14.160 -21.965 35.144 1.00 20.91 C ANISOU 2420 CD1 TYR A 157 2193 3347 2406 352 -123 534 C ATOM 2421 CD2 TYR A 157 -14.045 -21.642 32.796 1.00 29.25 C ANISOU 2421 CD2 TYR A 157 3277 4563 3273 177 -387 647 C ATOM 2422 CE1 TYR A 157 -14.649 -20.680 35.314 1.00 23.91 C ANISOU 2422 CE1 TYR A 157 2508 3661 2917 581 34 718 C ATOM 2423 CE2 TYR A 157 -14.557 -20.345 32.967 1.00 24.22 C ANISOU 2423 CE2 TYR A 157 2526 3882 2795 401 -267 857 C ATOM 2424 CZ TYR A 157 -14.828 -19.872 34.230 1.00 25.24 C ANISOU 2424 CZ TYR A 157 2617 3883 3088 621 -37 894 C ATOM 2425 OH TYR A 157 -15.325 -18.589 34.424 1.00 29.28 O ANISOU 2425 OH TYR A 157 3102 4259 3762 828 178 1055 O ATOM 2426 H TYR A 157 -11.234 -23.030 34.716 1.00 12.78 H ATOM 2427 HA TYR A 157 -13.303 -24.310 35.727 1.00 15.02 H ATOM 2428 HB2 TYR A 157 -12.645 -23.894 33.009 1.00 16.21 H ATOM 2429 HB3 TYR A 157 -14.032 -24.503 33.498 1.00 16.21 H ATOM 2430 HD1 TYR A 157 -14.037 -22.504 35.891 1.00 25.10 H ATOM 2431 HD2 TYR A 157 -13.860 -21.952 31.939 1.00 35.09 H ATOM 2432 HE1 TYR A 157 -14.843 -20.364 36.167 1.00 28.69 H ATOM 2433 HE2 TYR A 157 -14.676 -19.793 32.228 1.00 29.06 H ATOM 2434 HH TYR A 157 -15.390 -18.192 33.687 1.00 35.13 H ATOM 2435 N THR A 158 -10.924 -26.089 34.640 1.00 10.79 N ANISOU 2435 N THR A 158 1441 1800 857 -164 -159 -127 N ATOM 2436 CA THR A 158 -10.358 -27.427 34.763 1.00 10.98 C ANISOU 2436 CA THR A 158 1571 1686 916 -241 -69 -233 C ATOM 2437 C THR A 158 -10.313 -27.839 36.232 1.00 10.15 C ANISOU 2437 C THR A 158 1373 1532 953 -178 -36 -190 C ATOM 2438 O THR A 158 -10.606 -28.973 36.570 1.00 11.15 O ANISOU 2438 O THR A 158 1516 1595 1126 -259 -10 -213 O ATOM 2439 CB THR A 158 -8.976 -27.488 34.147 1.00 11.32 C ANISOU 2439 CB THR A 158 1742 1592 967 -187 85 -288 C ATOM 2440 OG1 THR A 158 -9.095 -27.298 32.734 1.00 13.20 O ANISOU 2440 OG1 THR A 158 2137 1864 1014 -286 83 -344 O ATOM 2441 CG2 THR A 158 -8.336 -28.837 34.373 1.00 12.18 C ANISOU 2441 CG2 THR A 158 1932 1506 1190 -192 257 -338 C ATOM 2442 H THR A 158 -10.385 -25.503 34.315 1.00 12.94 H ATOM 2443 HA THR A 158 -10.926 -28.056 34.291 1.00 13.18 H ATOM 2444 HB THR A 158 -8.409 -26.799 34.528 1.00 13.58 H ATOM 2445 HG1 THR A 158 -9.443 -26.551 32.573 1.00 15.84 H ATOM 2446 HG21 THR A 158 -7.453 -28.857 33.972 1.00 14.62 H ATOM 2447 HG22 THR A 158 -8.254 -29.009 35.325 1.00 14.62 H ATOM 2448 HG23 THR A 158 -8.880 -29.533 33.973 1.00 14.62 H ATOM 2449 N LEU A 159 -9.965 -26.922 37.118 1.00 8.32 N ANISOU 2449 N LEU A 159 1086 1315 759 -70 -37 -125 N ATOM 2450 CA LEU A 159 -9.959 -27.260 38.543 1.00 10.18 C ANISOU 2450 CA LEU A 159 1292 1526 1049 -61 -24 -74 C ATOM 2451 C LEU A 159 -11.353 -27.650 39.013 1.00 11.01 C ANISOU 2451 C LEU A 159 1324 1703 1156 -99 -26 -47 C ATOM 2452 O LEU A 159 -11.492 -28.596 39.789 1.00 10.29 O ANISOU 2452 O LEU A 159 1225 1573 1111 -148 -1 -20 O ATOM 2453 CB LEU A 159 -9.366 -26.123 39.388 1.00 9.40 C ANISOU 2453 CB LEU A 159 1243 1421 906 -22 -34 -34 C ATOM 2454 CG LEU A 159 -9.324 -26.391 40.885 1.00 9.74 C ANISOU 2454 CG LEU A 159 1331 1454 913 -74 -42 22 C ATOM 2455 CD1 LEU A 159 -8.516 -27.621 41.193 1.00 9.96 C ANISOU 2455 CD1 LEU A 159 1296 1443 1043 -116 -81 114 C ATOM 2456 CD2 LEU A 159 -8.773 -25.169 41.608 1.00 10.89 C ANISOU 2456 CD2 LEU A 159 1628 1576 933 -125 -65 26 C ATOM 2457 H LEU A 159 -9.733 -26.114 36.933 1.00 9.98 H ATOM 2458 HA LEU A 159 -9.389 -28.035 38.667 1.00 12.21 H ATOM 2459 HB2 LEU A 159 -8.456 -25.962 39.094 1.00 11.27 H ATOM 2460 HB3 LEU A 159 -9.900 -25.325 39.248 1.00 11.27 H ATOM 2461 HG LEU A 159 -10.228 -26.542 41.203 1.00 11.68 H ATOM 2462 HD11 LEU A 159 -8.510 -27.762 42.153 1.00 11.95 H ATOM 2463 HD12 LEU A 159 -8.920 -28.383 40.749 1.00 11.95 H ATOM 2464 HD13 LEU A 159 -7.610 -27.491 40.872 1.00 11.95 H ATOM 2465 HD21 LEU A 159 -8.750 -25.349 42.561 1.00 13.07 H ATOM 2466 HD22 LEU A 159 -7.877 -24.988 41.284 1.00 13.07 H ATOM 2467 HD23 LEU A 159 -9.349 -24.409 41.429 1.00 13.07 H ATOM 2468 N VAL A 160 -12.388 -26.933 38.592 1.00 10.74 N ANISOU 2468 N VAL A 160 1202 1776 1103 -69 -43 -2 N ATOM 2469 CA VAL A 160 -13.749 -27.340 38.943 1.00 12.41 C ANISOU 2469 CA VAL A 160 1260 2082 1372 -109 -35 93 C ATOM 2470 C VAL A 160 -14.048 -28.751 38.442 1.00 12.37 C ANISOU 2470 C VAL A 160 1246 2076 1378 -313 -120 57 C ATOM 2471 O VAL A 160 -14.647 -29.555 39.165 1.00 12.37 O ANISOU 2471 O VAL A 160 1184 2074 1443 -386 -86 105 O ATOM 2472 CB VAL A 160 -14.801 -26.349 38.408 1.00 13.31 C ANISOU 2472 CB VAL A 160 1197 2330 1529 -26 -46 242 C ATOM 2473 CG1 VAL A 160 -16.209 -26.820 38.722 1.00 16.80 C ANISOU 2473 CG1 VAL A 160 1392 2902 2090 -77 -39 416 C ATOM 2474 CG2 VAL A 160 -14.569 -24.941 38.952 1.00 17.66 C ANISOU 2474 CG2 VAL A 160 1827 2799 2085 184 118 265 C ATOM 2475 H VAL A 160 -12.335 -26.222 38.111 1.00 12.89 H ATOM 2476 HA VAL A 160 -13.826 -27.352 39.910 1.00 14.89 H ATOM 2477 HB VAL A 160 -14.718 -26.305 37.442 1.00 15.97 H ATOM 2478 HG11 VAL A 160 -16.843 -26.174 38.372 1.00 20.16 H ATOM 2479 HG12 VAL A 160 -16.353 -27.684 38.307 1.00 20.16 H ATOM 2480 HG13 VAL A 160 -16.309 -26.893 39.684 1.00 20.16 H ATOM 2481 HG21 VAL A 160 -15.248 -24.349 38.593 1.00 21.20 H ATOM 2482 HG22 VAL A 160 -14.626 -24.964 39.920 1.00 21.20 H ATOM 2483 HG23 VAL A 160 -13.689 -24.639 38.679 1.00 21.20 H ATOM 2484 N ARG A 161 -13.653 -29.067 37.210 1.00 12.41 N ANISOU 2484 N ARG A 161 1362 2056 1298 -431 -200 -35 N ATOM 2485 CA ARG A 161 -13.838 -30.424 36.715 1.00 13.51 C ANISOU 2485 CA ARG A 161 1614 2115 1403 -666 -230 -120 C ATOM 2486 C ARG A 161 -13.082 -31.459 37.543 1.00 14.02 C ANISOU 2486 C ARG A 161 1791 1965 1571 -630 -80 -174 C ATOM 2487 O ARG A 161 -13.603 -32.542 37.780 1.00 14.57 O ANISOU 2487 O ARG A 161 1890 1960 1684 -788 -65 -177 O ATOM 2488 CB ARG A 161 -13.444 -30.533 35.244 1.00 15.04 C ANISOU 2488 CB ARG A 161 2021 2272 1424 -812 -274 -243 C ATOM 2489 CG ARG A 161 -14.353 -29.749 34.292 1.00 17.83 C ANISOU 2489 CG ARG A 161 2263 2830 1681 -876 -451 -115 C ATOM 2490 CD ARG A 161 -14.052 -30.037 32.825 1.00 21.70 C ANISOU 2490 CD ARG A 161 3006 3244 1994 -1014 -451 -205 C ATOM 2491 NE ARG A 161 -15.006 -29.338 31.961 1.00 26.68 N ANISOU 2491 NE ARG A 161 3514 4074 2550 -1098 -636 -33 N ATOM 2492 CZ ARG A 161 -14.804 -28.160 31.386 1.00 31.63 C ANISOU 2492 CZ ARG A 161 4089 4784 3144 -975 -672 50 C ATOM 2493 NH1 ARG A 161 -13.644 -27.524 31.506 1.00 37.10 N ANISOU 2493 NH1 ARG A 161 4865 5381 3850 -773 -539 -38 N ATOM 2494 NH2 ARG A 161 -15.777 -27.625 30.662 1.00 34.24 N ANISOU 2494 NH2 ARG A 161 4283 5293 3434 -1069 -843 252 N ATOM 2495 H ARG A 161 -13.284 -28.525 36.653 1.00 14.89 H ATOM 2496 HA ARG A 161 -14.781 -30.642 36.776 1.00 16.21 H ATOM 2497 HB2 ARG A 161 -12.542 -30.193 35.138 1.00 18.05 H ATOM 2498 HB3 ARG A 161 -13.476 -31.466 34.982 1.00 18.05 H ATOM 2499 HG2 ARG A 161 -15.276 -29.994 34.462 1.00 21.39 H ATOM 2500 HG3 ARG A 161 -14.227 -28.800 34.443 1.00 21.39 H ATOM 2501 HD2 ARG A 161 -13.159 -29.726 32.612 1.00 26.04 H ATOM 2502 HD3 ARG A 161 -14.129 -30.990 32.660 1.00 26.04 H ATOM 2503 HE ARG A 161 -15.760 -29.725 31.814 1.00 32.02 H ATOM 2504 HH11 ARG A 161 -13.015 -27.865 31.984 1.00 44.52 H ATOM 2505 HH12 ARG A 161 -13.527 -26.766 31.119 1.00 44.52 H ATOM 2506 HH21 ARG A 161 -16.524 -28.041 30.571 1.00 41.09 H ATOM 2507 HH22 ARG A 161 -15.652 -26.873 30.264 1.00 41.09 H ATOM 2508 N GLU A 162 -11.869 -31.132 37.994 1.00 12.43 N ANISOU 2508 N GLU A 162 1630 1669 1424 -442 16 -170 N ATOM 2509 CA GLU A 162 -11.138 -32.041 38.872 1.00 11.64 C ANISOU 2509 CA GLU A 162 1564 1404 1455 -386 126 -116 C ATOM 2510 C GLU A 162 -11.862 -32.247 40.208 1.00 11.90 C ANISOU 2510 C GLU A 162 1492 1508 1523 -398 103 0 C ATOM 2511 O GLU A 162 -11.885 -33.355 40.735 1.00 12.75 O ANISOU 2511 O GLU A 162 1632 1492 1722 -450 169 53 O ATOM 2512 CB GLU A 162 -9.720 -31.523 39.106 1.00 10.64 C ANISOU 2512 CB GLU A 162 1421 1233 1390 -219 168 -48 C ATOM 2513 CG GLU A 162 -8.832 -31.528 37.853 1.00 12.77 C ANISOU 2513 CG GLU A 162 1794 1386 1672 -178 283 -128 C ATOM 2514 CD GLU A 162 -8.578 -32.930 37.350 1.00 13.83 C ANISOU 2514 CD GLU A 162 2095 1257 1902 -214 494 -185 C ATOM 2515 OE1 GLU A 162 -7.928 -33.718 38.064 1.00 17.73 O ANISOU 2515 OE1 GLU A 162 2537 1601 2598 -111 611 -39 O ATOM 2516 OE2 GLU A 162 -9.005 -33.249 36.221 1.00 18.51 O ANISOU 2516 OE2 GLU A 162 2901 1774 2356 -359 557 -362 O ATOM 2517 H GLU A 162 -11.454 -30.402 37.808 1.00 14.92 H ATOM 2518 HA GLU A 162 -11.069 -32.905 38.437 1.00 13.97 H ATOM 2519 HB2 GLU A 162 -9.771 -30.609 39.427 1.00 12.77 H ATOM 2520 HB3 GLU A 162 -9.291 -32.080 39.774 1.00 12.77 H ATOM 2521 HG2 GLU A 162 -9.273 -31.029 37.148 1.00 15.32 H ATOM 2522 HG3 GLU A 162 -7.977 -31.123 38.066 1.00 15.32 H ATOM 2523 N ILE A 163 -12.421 -31.183 40.777 1.00 11.47 N ANISOU 2523 N ILE A 163 1343 1617 1398 -339 60 49 N ATOM 2524 CA ILE A 163 -13.175 -31.301 42.032 1.00 12.20 C ANISOU 2524 CA ILE A 163 1379 1767 1490 -346 111 153 C ATOM 2525 C ILE A 163 -14.371 -32.219 41.812 1.00 12.94 C ANISOU 2525 C ILE A 163 1377 1882 1658 -501 115 183 C ATOM 2526 O ILE A 163 -14.630 -33.114 42.621 1.00 13.73 O ANISOU 2526 O ILE A 163 1481 1923 1813 -566 176 261 O ATOM 2527 CB ILE A 163 -13.627 -29.908 42.553 1.00 13.59 C ANISOU 2527 CB ILE A 163 1534 2054 1576 -234 166 179 C ATOM 2528 CG1 ILE A 163 -12.426 -29.052 42.970 1.00 11.72 C ANISOU 2528 CG1 ILE A 163 1448 1775 1231 -171 142 149 C ATOM 2529 CG2 ILE A 163 -14.626 -30.044 43.692 1.00 13.26 C ANISOU 2529 CG2 ILE A 163 1452 2057 1529 -236 307 281 C ATOM 2530 CD1 ILE A 163 -12.768 -27.590 43.218 1.00 12.18 C ANISOU 2530 CD1 ILE A 163 1581 1857 1189 -79 238 122 C ATOM 2531 H ILE A 163 -12.381 -30.384 40.462 1.00 13.77 H ATOM 2532 HA ILE A 163 -12.607 -31.704 42.707 1.00 14.64 H ATOM 2533 HB ILE A 163 -14.074 -29.452 41.823 1.00 16.31 H ATOM 2534 HG12 ILE A 163 -12.056 -29.413 43.791 1.00 14.07 H ATOM 2535 HG13 ILE A 163 -11.759 -29.085 42.267 1.00 14.07 H ATOM 2536 HG21 ILE A 163 -14.885 -29.158 43.991 1.00 15.91 H ATOM 2537 HG22 ILE A 163 -15.404 -30.526 43.373 1.00 15.91 H ATOM 2538 HG23 ILE A 163 -14.209 -30.531 44.420 1.00 15.91 H ATOM 2539 HD11 ILE A 163 -11.961 -27.117 43.476 1.00 14.61 H ATOM 2540 HD12 ILE A 163 -13.129 -27.208 42.403 1.00 14.61 H ATOM 2541 HD13 ILE A 163 -13.426 -27.536 43.929 1.00 14.61 H ATOM 2542 N ARG A 164 -15.107 -32.002 40.723 1.00 14.08 N ANISOU 2542 N ARG A 164 1429 2125 1796 -599 23 155 N ATOM 2543 CA ARG A 164 -16.265 -32.833 40.415 1.00 14.63 C ANISOU 2543 CA ARG A 164 1386 2251 1923 -834 -41 215 C ATOM 2544 C ARG A 164 -15.899 -34.291 40.248 1.00 16.13 C ANISOU 2544 C ARG A 164 1773 2218 2140 -1022 -14 123 C ATOM 2545 O ARG A 164 -16.617 -35.171 40.736 1.00 19.19 O ANISOU 2545 O ARG A 164 2110 2574 2607 -1182 11 202 O ATOM 2546 CB ARG A 164 -16.947 -32.315 39.169 1.00 18.95 C ANISOU 2546 CB ARG A 164 1814 2970 2415 -961 -217 241 C ATOM 2547 CG ARG A 164 -17.698 -31.048 39.399 1.00 20.73 C ANISOU 2547 CG ARG A 164 1769 3402 2706 -777 -199 428 C ATOM 2548 CD ARG A 164 -18.266 -30.596 38.081 1.00 29.54 C ANISOU 2548 CD ARG A 164 2830 4635 3758 -846 -389 489 C ATOM 2549 NE ARG A 164 -19.214 -29.516 38.244 1.00 30.11 N ANISOU 2549 NE ARG A 164 2644 4846 3950 -651 -343 727 N ATOM 2550 CZ ARG A 164 -19.770 -28.866 37.231 1.00 28.60 C ANISOU 2550 CZ ARG A 164 2360 4771 3737 -661 -479 871 C ATOM 2551 NH1 ARG A 164 -19.454 -29.185 35.984 1.00 30.26 N ANISOU 2551 NH1 ARG A 164 2740 4991 3765 -874 -670 775 N ATOM 2552 NH2 ARG A 164 -20.637 -27.897 37.468 1.00 33.99 N ANISOU 2552 NH2 ARG A 164 2812 5531 4573 -457 -385 1124 N ATOM 2553 H ARG A 164 -14.956 -31.380 40.149 1.00 16.90 H ATOM 2554 HA ARG A 164 -16.897 -32.770 41.147 1.00 17.56 H ATOM 2555 HB2 ARG A 164 -16.276 -32.146 38.490 1.00 22.73 H ATOM 2556 HB3 ARG A 164 -17.576 -32.982 38.854 1.00 22.73 H ATOM 2557 HG2 ARG A 164 -18.427 -31.203 40.019 1.00 24.88 H ATOM 2558 HG3 ARG A 164 -17.098 -30.363 39.733 1.00 24.88 H ATOM 2559 HD2 ARG A 164 -17.545 -30.282 37.514 1.00 35.45 H ATOM 2560 HD3 ARG A 164 -18.724 -31.340 37.660 1.00 35.45 H ATOM 2561 HE ARG A 164 -19.510 -29.355 39.036 1.00 36.13 H ATOM 2562 HH11 ARG A 164 -18.892 -29.817 35.832 1.00 36.31 H ATOM 2563 HH12 ARG A 164 -19.814 -28.761 35.328 1.00 36.31 H ATOM 2564 HH21 ARG A 164 -20.839 -27.690 38.278 1.00 40.79 H ATOM 2565 HH22 ARG A 164 -20.995 -27.470 36.813 1.00 40.79 H ATOM 2566 N LYS A 165 -14.787 -34.559 39.571 1.00 15.58 N ANISOU 2566 N LYS A 165 1935 1960 2026 -991 28 -26 N ATOM 2567 CA LYS A 165 -14.329 -35.929 39.391 1.00 16.84 C ANISOU 2567 CA LYS A 165 2333 1821 2245 -1111 154 -110 C ATOM 2568 C LYS A 165 -14.017 -36.584 40.735 1.00 16.51 C ANISOU 2568 C LYS A 165 2258 1661 2356 -991 279 38 C ATOM 2569 O LYS A 165 -14.311 -37.745 40.960 1.00 19.56 O ANISOU 2569 O LYS A 165 2741 1859 2831 -1138 364 60 O ATOM 2570 CB LYS A 165 -13.114 -35.978 38.457 1.00 20.79 C ANISOU 2570 CB LYS A 165 3072 2120 2709 -1022 275 -257 C ATOM 2571 CG LYS A 165 -13.480 -35.680 37.012 1.00 30.24 C ANISOU 2571 CG LYS A 165 4402 3393 3693 -1205 168 -408 C ATOM 2572 CD LYS A 165 -12.417 -36.118 36.005 1.00 37.15 C ANISOU 2572 CD LYS A 165 5577 4031 4507 -1131 377 -550 C ATOM 2573 CE LYS A 165 -11.007 -35.682 36.384 1.00 36.91 C ANISOU 2573 CE LYS A 165 5521 3862 4642 -838 569 -508 C ATOM 2574 NZ LYS A 165 -10.047 -35.924 35.268 1.00 37.87 N ANISOU 2574 NZ LYS A 165 5854 3830 4704 -742 793 -592 N ATOM 2575 H LYS A 165 -14.282 -33.965 39.207 1.00 18.70 H ATOM 2576 HA LYS A 165 -15.040 -36.440 38.974 1.00 20.21 H ATOM 2577 HB2 LYS A 165 -12.465 -35.318 38.746 1.00 24.95 H ATOM 2578 HB3 LYS A 165 -12.723 -36.866 38.492 1.00 24.95 H ATOM 2579 HG2 LYS A 165 -14.303 -36.145 36.795 1.00 36.28 H ATOM 2580 HG3 LYS A 165 -13.606 -34.723 36.912 1.00 36.28 H ATOM 2581 HD2 LYS A 165 -12.423 -37.086 35.944 1.00 44.58 H ATOM 2582 HD3 LYS A 165 -12.626 -35.731 35.140 1.00 44.58 H ATOM 2583 HE2 LYS A 165 -11.007 -34.733 36.585 1.00 44.30 H ATOM 2584 HE3 LYS A 165 -10.710 -36.189 37.156 1.00 44.30 H ATOM 2585 HZ1 LYS A 165 -10.297 -35.466 34.547 1.00 45.44 H ATOM 2586 HZ2 LYS A 165 -9.231 -35.664 35.507 1.00 45.44 H ATOM 2587 HZ3 LYS A 165 -10.028 -36.791 35.067 1.00 45.44 H ATOM 2588 N HIS A 166 -13.437 -35.825 41.644 1.00 15.21 N ANISOU 2588 N HIS A 166 1981 1605 2195 -760 277 154 N ATOM 2589 CA HIS A 166 -13.078 -36.369 42.932 1.00 14.94 C ANISOU 2589 CA HIS A 166 1931 1501 2243 -678 348 335 C ATOM 2590 C HIS A 166 -14.334 -36.707 43.723 1.00 16.75 C ANISOU 2590 C HIS A 166 2069 1826 2471 -814 359 431 C ATOM 2591 O HIS A 166 -14.416 -37.750 44.359 1.00 19.87 O ANISOU 2591 O HIS A 166 2511 2078 2962 -876 444 547 O ATOM 2592 CB HIS A 166 -12.228 -35.355 43.680 1.00 16.17 C ANISOU 2592 CB HIS A 166 2034 1791 2320 -497 287 432 C ATOM 2593 CG HIS A 166 -12.024 -35.687 45.118 1.00 17.66 C ANISOU 2593 CG HIS A 166 2220 1999 2493 -477 292 649 C ATOM 2594 ND1 HIS A 166 -11.091 -36.602 45.550 1.00 24.46 N ANISOU 2594 ND1 HIS A 166 3096 2699 3496 -420 323 847 N ATOM 2595 CD2 HIS A 166 -12.636 -35.224 46.229 1.00 21.66 C ANISOU 2595 CD2 HIS A 166 2727 2661 2842 -511 291 727 C ATOM 2596 CE1 HIS A 166 -11.144 -36.696 46.866 1.00 25.95 C ANISOU 2596 CE1 HIS A 166 3292 2981 3587 -451 279 1045 C ATOM 2597 NE2 HIS A 166 -12.066 -35.861 47.305 1.00 23.75 N ANISOU 2597 NE2 HIS A 166 3038 2884 3101 -518 276 955 N ATOM 2598 H HIS A 166 -13.242 -34.994 41.539 1.00 18.26 H ATOM 2599 HA HIS A 166 -12.560 -37.180 42.811 1.00 17.93 H ATOM 2600 HB2 HIS A 166 -11.355 -35.309 43.260 1.00 19.41 H ATOM 2601 HB3 HIS A 166 -12.661 -34.489 43.634 1.00 19.41 H ATOM 2602 HD1 HIS A 166 -10.564 -37.052 45.041 1.00 29.35 H ATOM 2603 HD2 HIS A 166 -13.315 -34.588 46.261 1.00 25.99 H ATOM 2604 HE1 HIS A 166 -10.610 -37.244 47.394 1.00 31.14 H ATOM 2605 N LYS A 167 -15.314 -35.817 43.672 1.00 18.39 N ANISOU 2605 N LYS A 167 2124 2264 2599 -841 305 421 N ATOM 2606 CA LYS A 167 -16.554 -35.990 44.416 1.00 18.35 C ANISOU 2606 CA LYS A 167 1970 2377 2628 -935 367 557 C ATOM 2607 C LYS A 167 -17.395 -37.144 43.876 1.00 19.48 C ANISOU 2607 C LYS A 167 2091 2427 2883 -1180 337 540 C ATOM 2608 O LYS A 167 -18.131 -37.782 44.621 1.00 23.44 O ANISOU 2608 O LYS A 167 2535 2917 3452 -1234 420 642 O ATOM 2609 CB LYS A 167 -17.379 -34.707 44.357 1.00 26.46 C ANISOU 2609 CB LYS A 167 2800 3642 3609 -845 374 593 C ATOM 2610 CG LYS A 167 -16.848 -33.548 45.190 1.00 28.53 C ANISOU 2610 CG LYS A 167 3153 3955 3731 -615 472 594 C ATOM 2611 CD LYS A 167 -17.738 -32.302 45.051 1.00 25.29 C ANISOU 2611 CD LYS A 167 2575 3703 3331 -490 568 641 C ATOM 2612 CE LYS A 167 -19.156 -32.549 45.545 1.00 38.56 C ANISOU 2612 CE LYS A 167 4070 5450 5133 -505 697 779 C ATOM 2613 NZ LYS A 167 -20.046 -31.344 45.496 1.00 43.43 N ANISOU 2613 NZ LYS A 167 4541 6151 5810 -314 821 849 N ATOM 2614 H LYS A 167 -15.286 -35.094 43.207 1.00 22.07 H ATOM 2615 HA LYS A 167 -16.345 -36.175 45.345 1.00 22.03 H ATOM 2616 HB2 LYS A 167 -17.418 -34.408 43.435 1.00 31.75 H ATOM 2617 HB3 LYS A 167 -18.275 -34.904 44.672 1.00 31.75 H ATOM 2618 HG2 LYS A 167 -16.831 -33.807 46.125 1.00 34.23 H ATOM 2619 HG3 LYS A 167 -15.954 -33.320 44.888 1.00 34.23 H ATOM 2620 HD2 LYS A 167 -17.357 -31.580 45.574 1.00 30.35 H ATOM 2621 HD3 LYS A 167 -17.784 -32.047 44.116 1.00 30.35 H ATOM 2622 HE2 LYS A 167 -19.562 -33.236 44.994 1.00 46.28 H ATOM 2623 HE3 LYS A 167 -19.117 -32.849 46.466 1.00 46.28 H ATOM 2624 HZ1 LYS A 167 -20.857 -31.553 45.797 1.00 52.12 H ATOM 2625 HZ2 LYS A 167 -19.707 -30.696 46.004 1.00 52.12 H ATOM 2626 HZ3 LYS A 167 -20.114 -31.050 44.659 1.00 52.12 H ATOM 2627 N GLU A 168 -17.312 -37.397 42.575 1.00 22.92 N ANISOU 2627 N GLU A 168 2617 2790 3302 -1317 222 385 N ATOM 2628 CA GLU A 168 -18.165 -38.401 41.956 1.00 24.56 C ANISOU 2628 CA GLU A 168 2855 2924 3554 -1558 153 341 C ATOM 2629 C GLU A 168 -17.516 -39.767 41.991 1.00 25.77 C ANISOU 2629 C GLU A 168 3276 2733 3782 -1618 268 281 C ATOM 2630 O GLU A 168 -18.072 -40.724 41.457 1.00 27.75 O ANISOU 2630 O GLU A 168 3633 2867 4045 -1836 232 217 O ATOM 2631 CB GLU A 168 -18.459 -38.030 40.507 1.00 27.58 C ANISOU 2631 CB GLU A 168 3270 3407 3801 -1697 -36 217 C ATOM 2632 CG GLU A 168 -17.309 -38.284 39.568 1.00 38.99 C ANISOU 2632 CG GLU A 168 5043 4635 5138 -1695 3 8 C ATOM 2633 CD GLU A 168 -17.765 -38.640 38.190 1.00 43.22 C ANISOU 2633 CD GLU A 168 5746 5178 5496 -1941 -132 -117 C ATOM 2634 OE1 GLU A 168 -18.580 -39.577 38.032 1.00 29.35 O ANISOU 2634 OE1 GLU A 168 4039 3377 3738 -2185 -185 -108 O ATOM 2635 OE2 GLU A 168 -17.296 -37.959 37.259 1.00 50.28 O ANISOU 2635 OE2 GLU A 168 6740 6130 6232 -1905 -183 -211 O ATOM 2636 H GLU A 168 -16.774 -37.004 42.032 1.00 27.51 H ATOM 2637 HA GLU A 168 -19.007 -38.449 42.436 1.00 29.47 H ATOM 2638 HB2 GLU A 168 -19.215 -38.553 40.197 1.00 33.09 H ATOM 2639 HB3 GLU A 168 -18.673 -37.085 40.463 1.00 33.09 H ATOM 2640 HG2 GLU A 168 -16.767 -37.482 39.508 1.00 46.79 H ATOM 2641 HG3 GLU A 168 -16.778 -39.020 39.910 1.00 46.79 H ATOM 2642 N LYS A 169 -16.327 -39.852 42.579 1.00 32.82 N ANISOU 2642 N LYS A 169 4284 3466 4721 -1417 400 325 N ATOM 2643 CA LYS A 169 -15.594 -41.111 42.654 1.00 35.89 C ANISOU 2643 CA LYS A 169 4901 3524 5212 -1382 535 329 C ATOM 2644 C LYS A 169 -16.407 -42.158 43.406 1.00 38.92 C ANISOU 2644 C LYS A 169 5247 3837 5705 -1516 561 471 C ATOM 2645 O LYS A 169 -15.962 -42.691 44.423 1.00 51.93 O ANISOU 2645 O LYS A 169 6920 5397 7414 -1405 642 650 O ATOM 2646 CB LYS A 169 -14.233 -40.899 43.334 1.00 35.52 C ANISOU 2646 CB LYS A 169 4879 3402 5215 -1092 638 451 C ATOM 2647 H LYS A 169 -15.920 -39.189 42.946 1.00 39.39 H ATOM 2648 HA LYS A 169 -15.435 -41.440 41.755 1.00 43.07 H TER 2649 LYS A 169 ATOM 5297 PB GDP A 201 0.810 -12.790 43.990 1.00 10.29 P ATOM 5298 O1B GDP A 201 -0.631 -12.428 44.292 1.00 10.11 O ATOM 5299 O2B GDP A 201 0.993 -14.249 43.675 1.00 10.45 O ATOM 5300 O3B GDP A 201 1.791 -12.294 45.043 1.00 10.47 O ATOM 5301 O3A GDP A 201 1.202 -12.088 42.589 1.00 10.62 O ATOM 5302 PA GDP A 201 0.584 -10.787 41.924 1.00 11.70 P ATOM 5303 O1A GDP A 201 -0.706 -11.072 41.290 1.00 12.01 O ATOM 5304 O2A GDP A 201 0.664 -9.643 42.908 1.00 13.35 O ATOM 5305 O5' GDP A 201 1.643 -10.514 40.766 1.00 11.87 O ATOM 5306 C5' GDP A 201 3.031 -10.300 41.075 1.00 13.04 C ATOM 5307 C4' GDP A 201 3.658 -9.452 39.972 1.00 14.95 C ATOM 5308 O4' GDP A 201 3.635 -10.166 38.733 1.00 13.87 O ATOM 5309 C3' GDP A 201 2.862 -8.207 39.721 1.00 18.31 C ATOM 5310 O3' GDP A 201 3.763 -7.146 39.359 1.00 21.46 O ATOM 5311 C2' GDP A 201 1.940 -8.509 38.573 1.00 17.09 C ATOM 5312 O2' GDP A 201 1.708 -7.389 37.715 1.00 18.59 O ATOM 5313 C1' GDP A 201 2.822 -9.447 37.800 1.00 13.69 C ATOM 5314 N9 GDP A 201 2.143 -10.502 36.995 1.00 13.02 N ATOM 5315 C8 GDP A 201 1.318 -11.456 37.512 1.00 13.97 C ATOM 5316 N7 GDP A 201 0.905 -12.325 36.573 1.00 11.96 N ATOM 5317 C5 GDP A 201 1.478 -11.934 35.413 1.00 11.75 C ATOM 5318 C6 GDP A 201 1.497 -12.420 34.062 1.00 11.57 C ATOM 5319 O6 GDP A 201 0.913 -13.443 33.692 1.00 11.56 O ATOM 5320 N1 GDP A 201 2.230 -11.677 33.213 1.00 12.68 N ATOM 5321 C2 GDP A 201 2.946 -10.596 33.534 1.00 12.70 C ATOM 5322 N2 GDP A 201 3.633 -9.932 32.577 1.00 15.51 N ATOM 5323 N3 GDP A 201 2.995 -10.079 34.749 1.00 14.94 N ATOM 5324 C4 GDP A 201 2.277 -10.742 35.699 1.00 13.00 C ATOM 5325 H4' GDP A 201 4.687 -9.183 40.249 1.00 17.94 H ATOM 5326 H3' GDP A 201 2.278 -7.947 40.615 1.00 21.97 H ATOM 5327 H2' GDP A 201 1.017 -9.004 38.905 1.00 20.51 H ATOM 5328 HO2' GDP A 201 1.192 -6.722 38.188 1.00 22.31 H ATOM 5329 H1' GDP A 201 3.467 -8.847 37.143 1.00 16.43 H ATOM 5330 H8 GDP A 201 1.045 -11.519 38.558 1.00 16.77 H ATOM 5331 HN1 GDP A 201 2.254 -11.981 32.219 1.00 15.22 H ATOM 5332 HN21 GDP A 201 4.176 -9.116 32.819 1.00 18.61 H ATOM 5333 HN22 GDP A 201 3.630 -10.272 31.626 1.00 18.61 H ATOM 5334 MG MG A 202 -1.549 -11.498 45.876 1.00 9.28 MG CONECT 238 5334 CONECT 2896 5372 CONECT 5297 5298 5299 5300 5301 CONECT 5298 5297 5334 CONECT 5299 5297 CONECT 5300 5297 CONECT 5301 5297 5302 CONECT 5302 5301 5303 5304 5305 CONECT 5303 5302 CONECT 5304 5302 CONECT 5305 5302 5306 CONECT 5306 5305 5307 CONECT 5307 5306 5308 5309 5325 CONECT 5308 5307 5313 CONECT 5309 5307 5310 5311 5326 CONECT 5310 5309 CONECT 5311 5309 5312 5313 5327 CONECT 5312 5311 5328 CONECT 5313 5308 5311 5314 5329 CONECT 5314 5313 5315 5324 CONECT 5315 5314 5316 5330 CONECT 5316 5315 5317 CONECT 5317 5316 5318 5324 CONECT 5318 5317 5319 5320 CONECT 5319 5318 CONECT 5320 5318 5321 5331 CONECT 5321 5320 5322 5323 CONECT 5322 5321 5332 5333 CONECT 5323 5321 5324 CONECT 5324 5314 5317 5323 CONECT 5325 5307 CONECT 5326 5309 CONECT 5327 5311 CONECT 5328 5312 CONECT 5329 5313 CONECT 5330 5315 CONECT 5331 5320 CONECT 5332 5322 CONECT 5333 5322 CONECT 5334 238 5298 5373 5374 CONECT 5334 5375 5525 CONECT 5335 5336 5337 5338 5339 CONECT 5336 5335 5372 CONECT 5337 5335 CONECT 5338 5335 CONECT 5339 5335 5340 CONECT 5340 5339 5341 5342 5343 CONECT 5341 5340 CONECT 5342 5340 CONECT 5343 5340 5344 CONECT 5344 5343 5345 CONECT 5345 5344 5346 5347 5363 CONECT 5346 5345 5351 CONECT 5347 5345 5348 5349 5364 CONECT 5348 5347 CONECT 5349 5347 5350 5351 5365 CONECT 5350 5349 5366 CONECT 5351 5346 5349 5352 5367 CONECT 5352 5351 5353 5362 CONECT 5353 5352 5354 5368 CONECT 5354 5353 5355 CONECT 5355 5354 5356 5362 CONECT 5356 5355 5357 5358 CONECT 5357 5356 CONECT 5358 5356 5359 5369 CONECT 5359 5358 5360 5361 CONECT 5360 5359 5370 5371 CONECT 5361 5359 5362 CONECT 5362 5352 5355 5361 CONECT 5363 5345 CONECT 5364 5347 CONECT 5365 5349 CONECT 5366 5350 CONECT 5367 5351 CONECT 5368 5353 CONECT 5369 5358 CONECT 5370 5360 CONECT 5371 5360 CONECT 5372 2896 5336 5550 5553 CONECT 5372 5717 5727 CONECT 5373 5334 CONECT 5374 5334 CONECT 5375 5334 CONECT 5525 5334 CONECT 5550 5372 CONECT 5553 5372 CONECT 5717 5372 CONECT 5727 5372 MASTER 633 0 4 10 12 0 17 6 3093 2 88 28 END If you find results from this site helpful for your research, please cite one of our papers:
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