USER MOD reduce.3.24.130724 H: found=0, std=0, add=2807, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 14-DEC-10 3PZJ TITLE CRYSTAL STRUCTURE OF A PROBABLE ACETYLTRANSFERASES (GNAT FAMILY) FROM TITLE 2 CHROMOBACTERIUM VIOLACEUM ATCC 12472 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE ACETYLTRANSFERASES; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 1-206; COMPND 5 EC: 2.3.1.-; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; SOURCE 3 ORGANISM_TAXID: 536; SOURCE 4 ATCC: 12472; SOURCE 5 GENE: CV_1740; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PMCSG7 KEYWDS MCSG, PSI-2, STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, KEYWDS 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS, GNAT FAMILY MEMBER, KEYWDS 3 ACETYLOTRANSFERASE, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR B.NOCEK,A.STEIN,L.BIGELOW,B.FELDMANN,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) REVDAT 1 19-JAN-11 3PZJ 0 JRNL AUTH B.NOCEK,A.STEIN,L.BIGELOW,B.FELDMANN,A.JOACHIMIAK JRNL TITL CRYSTAL STRUCTURE OF A PROBABLE ACETYLTRANSFERASES (GNAT JRNL TITL 2 FAMILY) FROM CHROMOBACTERIUM VIOLACEUM ATCC 12472 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 30311 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.197 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.244 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1615 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.85 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2194 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.75 REMARK 3 BIN R VALUE (WORKING SET) : 0.2340 REMARK 3 BIN FREE R VALUE SET COUNT : 104 REMARK 3 BIN FREE R VALUE : 0.3040 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2909 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 6 REMARK 3 SOLVENT ATOMS : 137 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 39.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.46 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.09000 REMARK 3 B22 (A**2) : 0.26000 REMARK 3 B33 (A**2) : -0.16000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.153 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.148 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.102 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.298 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.957 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.932 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3035 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 2031 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4136 ; 1.923 ; 1.927 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4864 ; 1.032 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 391 ; 6.161 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 147 ;31.992 ;22.109 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 429 ;14.665 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 31 ;23.714 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 444 ; 0.131 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3511 ; 0.010 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 718 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1910 ; 1.146 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 779 ; 0.385 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3010 ; 1.842 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1125 ; 3.093 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1119 ; 4.510 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 30 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 7 A 12 REMARK 3 ORIGIN FOR THE GROUP (A): 16.7924 14.6055 -16.9318 REMARK 3 T TENSOR REMARK 3 T11: 0.2235 T22: 0.3623 REMARK 3 T33: 0.2690 T12: -0.0352 REMARK 3 T13: 0.0328 T23: -0.0540 REMARK 3 L TENSOR REMARK 3 L11: 0.0145 L22: 8.9831 REMARK 3 L33: 0.3597 L12: 0.3207 REMARK 3 L13: 0.0654 L23: 1.7634 REMARK 3 S TENSOR REMARK 3 S11: -0.0768 S12: -0.0186 S13: 0.0101 REMARK 3 S21: -0.7979 S22: 0.1724 S23: -0.1188 REMARK 3 S31: -0.1916 S32: 0.0201 S33: -0.0956 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 13 A 18 REMARK 3 ORIGIN FOR THE GROUP (A): 18.2263 14.9543 -0.2057 REMARK 3 T TENSOR REMARK 3 T11: 0.2114 T22: 0.0943 REMARK 3 T33: 0.2065 T12: -0.0088 REMARK 3 T13: -0.1424 T23: 0.0178 REMARK 3 L TENSOR REMARK 3 L11: 29.7768 L22: 10.0783 REMARK 3 L33: 6.0509 L12: 0.2540 REMARK 3 L13: -10.1339 L23: 4.7571 REMARK 3 S TENSOR REMARK 3 S11: 0.0640 S12: -0.2501 S13: 0.2560 REMARK 3 S21: 0.4229 S22: 0.3108 S23: -0.4021 REMARK 3 S31: 0.1926 S32: 0.2478 S33: -0.3748 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 19 A 37 REMARK 3 ORIGIN FOR THE GROUP (A): -3.3412 4.9984 7.8164 REMARK 3 T TENSOR REMARK 3 T11: 0.2138 T22: 0.1668 REMARK 3 T33: 0.0664 T12: 0.0110 REMARK 3 T13: -0.0022 T23: -0.0222 REMARK 3 L TENSOR REMARK 3 L11: 4.2164 L22: 1.1410 REMARK 3 L33: 0.6018 L12: 0.1289 REMARK 3 L13: -0.6661 L23: -0.4679 REMARK 3 S TENSOR REMARK 3 S11: 0.2405 S12: -0.3504 S13: -0.0525 REMARK 3 S21: 0.3419 S22: -0.1412 S23: 0.0455 REMARK 3 S31: -0.1071 S32: 0.1040 S33: -0.0993 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 38 A 53 REMARK 3 ORIGIN FOR THE GROUP (A): -18.4919 -7.2791 2.3800 REMARK 3 T TENSOR REMARK 3 T11: 0.1085 T22: 0.2001 REMARK 3 T33: 0.1605 T12: -0.0050 REMARK 3 T13: 0.0207 T23: 0.0386 REMARK 3 L TENSOR REMARK 3 L11: 1.7886 L22: 1.6139 REMARK 3 L33: 2.9157 L12: 1.0794 REMARK 3 L13: 1.0832 L23: 0.1297 REMARK 3 S TENSOR REMARK 3 S11: 0.0656 S12: -0.1488 S13: -0.1030 REMARK 3 S21: 0.1912 S22: 0.0089 S23: 0.1299 REMARK 3 S31: 0.0640 S32: -0.3044 S33: -0.0745 REMARK 3 REMARK 3 TLS GROUP : 5 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 54 A 83 REMARK 3 ORIGIN FOR THE GROUP (A): -16.2186 -9.7115 -9.1525 REMARK 3 T TENSOR REMARK 3 T11: 0.1234 T22: 0.1807 REMARK 3 T33: 0.1488 T12: -0.0323 REMARK 3 T13: 0.0032 T23: 0.0057 REMARK 3 L TENSOR REMARK 3 L11: 1.4442 L22: 1.8710 REMARK 3 L33: 0.8881 L12: -0.1623 REMARK 3 L13: 0.3321 L23: -1.0552 REMARK 3 S TENSOR REMARK 3 S11: -0.0863 S12: 0.0573 S13: -0.0408 REMARK 3 S21: -0.0331 S22: 0.1134 S23: 0.0934 REMARK 3 S31: 0.0906 S32: -0.1087 S33: -0.0271 REMARK 3 REMARK 3 TLS GROUP : 6 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 84 A 95 REMARK 3 ORIGIN FOR THE GROUP (A): -8.8366 -3.5442 1.5505 REMARK 3 T TENSOR REMARK 3 T11: 0.1841 T22: 0.1654 REMARK 3 T33: 0.1283 T12: -0.0042 REMARK 3 T13: -0.0035 T23: 0.0242 REMARK 3 L TENSOR REMARK 3 L11: 2.5444 L22: 4.0793 REMARK 3 L33: 0.1742 L12: -1.9872 REMARK 3 L13: -0.6593 L23: 0.5175 REMARK 3 S TENSOR REMARK 3 S11: 0.0983 S12: -0.0191 S13: -0.1326 REMARK 3 S21: 0.2190 S22: -0.1228 S23: 0.0011 REMARK 3 S31: -0.0087 S32: -0.0052 S33: 0.0244 REMARK 3 REMARK 3 TLS GROUP : 7 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 96 A 100 REMARK 3 ORIGIN FOR THE GROUP (A): -23.3723 1.2886 8.6793 REMARK 3 T TENSOR REMARK 3 T11: 0.4623 T22: 0.3505 REMARK 3 T33: 0.2448 T12: -0.0294 REMARK 3 T13: 0.0994 T23: -0.0938 REMARK 3 L TENSOR REMARK 3 L11: 6.8120 L22: 10.7742 REMARK 3 L33: 40.3518 L12: -7.5312 REMARK 3 L13: -4.8194 L23: -4.1796 REMARK 3 S TENSOR REMARK 3 S11: -1.3342 S12: -0.1172 S13: 0.3442 REMARK 3 S21: 1.6086 S22: 0.9163 S23: -0.5202 REMARK 3 S31: 1.1749 S32: -2.3266 S33: 0.4179 REMARK 3 REMARK 3 TLS GROUP : 8 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 101 A 110 REMARK 3 ORIGIN FOR THE GROUP (A): -8.2954 -0.9034 -1.7948 REMARK 3 T TENSOR REMARK 3 T11: 0.1771 T22: 0.1459 REMARK 3 T33: 0.1303 T12: -0.0019 REMARK 3 T13: 0.0087 T23: 0.0240 REMARK 3 L TENSOR REMARK 3 L11: 4.8669 L22: 1.4854 REMARK 3 L33: 0.3180 L12: 1.1199 REMARK 3 L13: -0.2482 L23: 0.5519 REMARK 3 S TENSOR REMARK 3 S11: -0.0808 S12: -0.0901 S13: -0.0560 REMARK 3 S21: 0.0692 S22: -0.0014 S23: 0.0978 REMARK 3 S31: 0.0428 S32: 0.0155 S33: 0.0822 REMARK 3 REMARK 3 TLS GROUP : 9 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 111 A 126 REMARK 3 ORIGIN FOR THE GROUP (A): -4.9336 1.4385 -3.7718 REMARK 3 T TENSOR REMARK 3 T11: 0.1461 T22: 0.1639 REMARK 3 T33: 0.1306 T12: 0.0052 REMARK 3 T13: -0.0098 T23: 0.0071 REMARK 3 L TENSOR REMARK 3 L11: 4.7227 L22: 1.3941 REMARK 3 L33: 0.7680 L12: 1.1171 REMARK 3 L13: 1.6894 L23: 0.5707 REMARK 3 S TENSOR REMARK 3 S11: -0.1611 S12: 0.0194 S13: 0.0445 REMARK 3 S21: 0.0152 S22: 0.0750 S23: 0.0735 REMARK 3 S31: -0.0559 S32: -0.0268 S33: 0.0861 REMARK 3 REMARK 3 TLS GROUP : 10 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 127 A 132 REMARK 3 ORIGIN FOR THE GROUP (A): -21.2997 7.9279 -6.0392 REMARK 3 T TENSOR REMARK 3 T11: 0.1988 T22: 0.1740 REMARK 3 T33: 0.2422 T12: 0.1454 REMARK 3 T13: -0.0804 T23: -0.0281 REMARK 3 L TENSOR REMARK 3 L11: 12.8617 L22: 34.8576 REMARK 3 L33: 2.2716 L12: 10.9808 REMARK 3 L13: 4.8404 L23: 7.5170 REMARK 3 S TENSOR REMARK 3 S11: 0.3400 S12: 0.1848 S13: -0.1760 REMARK 3 S21: -1.4918 S22: -0.4098 S23: 0.9535 REMARK 3 S31: -0.1122 S32: -0.0127 S33: 0.0698 REMARK 3 REMARK 3 TLS GROUP : 11 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 133 A 147 REMARK 3 ORIGIN FOR THE GROUP (A): -8.9613 9.9339 2.0228 REMARK 3 T TENSOR REMARK 3 T11: 0.1591 T22: 0.1689 REMARK 3 T33: 0.1327 T12: 0.0180 REMARK 3 T13: -0.0075 T23: -0.0371 REMARK 3 L TENSOR REMARK 3 L11: 8.4942 L22: 1.7081 REMARK 3 L33: 0.6551 L12: -0.4276 REMARK 3 L13: 2.2627 L23: -0.4095 REMARK 3 S TENSOR REMARK 3 S11: -0.0281 S12: -0.1965 S13: 0.2606 REMARK 3 S21: 0.1348 S22: -0.0054 S23: 0.1355 REMARK 3 S31: -0.0264 S32: -0.0430 S33: 0.0336 REMARK 3 REMARK 3 TLS GROUP : 12 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 148 A 158 REMARK 3 ORIGIN FOR THE GROUP (A): -0.3657 5.7731 -5.7565 REMARK 3 T TENSOR REMARK 3 T11: 0.1499 T22: 0.1595 REMARK 3 T33: 0.1432 T12: -0.0030 REMARK 3 T13: -0.0189 T23: 0.0043 REMARK 3 L TENSOR REMARK 3 L11: 0.8475 L22: 0.3397 REMARK 3 L33: 2.0612 L12: -0.0897 REMARK 3 L13: 0.6001 L23: 0.0939 REMARK 3 S TENSOR REMARK 3 S11: -0.0282 S12: -0.0563 S13: 0.1086 REMARK 3 S21: 0.0340 S22: -0.0070 S23: -0.0151 REMARK 3 S31: 0.1113 S32: -0.1044 S33: 0.0352 REMARK 3 REMARK 3 TLS GROUP : 13 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 159 A 182 REMARK 3 ORIGIN FOR THE GROUP (A): -5.6031 7.9369 -15.8733 REMARK 3 T TENSOR REMARK 3 T11: 0.1651 T22: 0.1669 REMARK 3 T33: 0.1322 T12: 0.0004 REMARK 3 T13: -0.0316 T23: 0.0328 REMARK 3 L TENSOR REMARK 3 L11: 1.2425 L22: 0.7055 REMARK 3 L33: 0.9511 L12: -0.5942 REMARK 3 L13: 0.3974 L23: 0.3442 REMARK 3 S TENSOR REMARK 3 S11: -0.0110 S12: 0.0041 S13: 0.0869 REMARK 3 S21: -0.1046 S22: -0.0002 S23: 0.0016 REMARK 3 S31: -0.0873 S32: -0.1331 S33: 0.0112 REMARK 3 REMARK 3 TLS GROUP : 14 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 183 A 191 REMARK 3 ORIGIN FOR THE GROUP (A): -6.6563 -6.5190 -22.1595 REMARK 3 T TENSOR REMARK 3 T11: 0.1751 T22: 0.1885 REMARK 3 T33: 0.1152 T12: -0.0034 REMARK 3 T13: -0.0334 T23: -0.0141 REMARK 3 L TENSOR REMARK 3 L11: 6.0394 L22: 3.3673 REMARK 3 L33: 2.0325 L12: 2.6407 REMARK 3 L13: -1.9191 L23: 0.9349 REMARK 3 S TENSOR REMARK 3 S11: -0.1478 S12: 0.2718 S13: -0.1943 REMARK 3 S21: -0.0055 S22: -0.0241 S23: 0.0633 REMARK 3 S31: 0.0844 S32: -0.1929 S33: 0.1719 REMARK 3 REMARK 3 TLS GROUP : 15 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 192 A 204 REMARK 3 ORIGIN FOR THE GROUP (A): -0.5458 12.4958 -6.8250 REMARK 3 T TENSOR REMARK 3 T11: 0.1626 T22: 0.1400 REMARK 3 T33: 0.1740 T12: 0.0156 REMARK 3 T13: -0.0269 T23: -0.0060 REMARK 3 L TENSOR REMARK 3 L11: 0.7549 L22: 0.5602 REMARK 3 L33: 2.1201 L12: -0.0265 REMARK 3 L13: 0.0212 L23: 0.2279 REMARK 3 S TENSOR REMARK 3 S11: -0.0440 S12: 0.0043 S13: 0.1923 REMARK 3 S21: -0.0584 S22: 0.0464 S23: 0.0022 REMARK 3 S31: -0.2314 S32: -0.0916 S33: -0.0025 REMARK 3 REMARK 3 TLS GROUP : 16 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 18 B 27 REMARK 3 ORIGIN FOR THE GROUP (A): 2.8409 -16.9595 -23.3066 REMARK 3 T TENSOR REMARK 3 T11: 0.1862 T22: 0.2830 REMARK 3 T33: 0.1882 T12: 0.0384 REMARK 3 T13: -0.0312 T23: -0.0137 REMARK 3 L TENSOR REMARK 3 L11: 4.3959 L22: 2.2661 REMARK 3 L33: 1.8528 L12: 2.3373 REMARK 3 L13: 2.1288 L23: 2.0372 REMARK 3 S TENSOR REMARK 3 S11: 0.0578 S12: 0.0375 S13: 0.5495 REMARK 3 S21: 0.1263 S22: -0.3270 S23: 0.3128 REMARK 3 S31: 0.1544 S32: -0.2187 S33: 0.2691 REMARK 3 REMARK 3 TLS GROUP : 17 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 28 B 42 REMARK 3 ORIGIN FOR THE GROUP (A): 24.1107 -17.5427 -20.3250 REMARK 3 T TENSOR REMARK 3 T11: 0.2253 T22: 0.1862 REMARK 3 T33: 0.2327 T12: 0.0708 REMARK 3 T13: -0.0980 T23: -0.0059 REMARK 3 L TENSOR REMARK 3 L11: 0.7219 L22: 3.8410 REMARK 3 L33: 3.6223 L12: -0.8557 REMARK 3 L13: 0.0401 L23: -0.5894 REMARK 3 S TENSOR REMARK 3 S11: 0.3017 S12: 0.0270 S13: -0.3139 REMARK 3 S21: -0.3340 S22: -0.2433 S23: -0.0143 REMARK 3 S31: 0.4260 S32: 0.5103 S33: -0.0583 REMARK 3 REMARK 3 TLS GROUP : 18 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 43 B 52 REMARK 3 ORIGIN FOR THE GROUP (A): 29.9517 -15.1869 -7.0378 REMARK 3 T TENSOR REMARK 3 T11: 0.1098 T22: 0.1906 REMARK 3 T33: 0.1848 T12: -0.0011 REMARK 3 T13: -0.0232 T23: 0.0595 REMARK 3 L TENSOR REMARK 3 L11: 5.3550 L22: 1.7723 REMARK 3 L33: 2.9844 L12: 0.0513 REMARK 3 L13: 1.3753 L23: 0.3314 REMARK 3 S TENSOR REMARK 3 S11: 0.1099 S12: -0.1317 S13: -0.0991 REMARK 3 S21: -0.0173 S22: -0.1550 S23: -0.4214 REMARK 3 S31: 0.3987 S32: 0.0890 S33: 0.0450 REMARK 3 REMARK 3 TLS GROUP : 19 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 53 B 65 REMARK 3 ORIGIN FOR THE GROUP (A): 28.3075 -0.1881 -7.0790 REMARK 3 T TENSOR REMARK 3 T11: 0.0455 T22: 0.1660 REMARK 3 T33: 0.4792 T12: -0.0719 REMARK 3 T13: -0.1106 T23: 0.1641 REMARK 3 L TENSOR REMARK 3 L11: 2.8601 L22: 5.3865 REMARK 3 L33: 4.0614 L12: -2.6411 REMARK 3 L13: 0.2555 L23: 1.3746 REMARK 3 S TENSOR REMARK 3 S11: -0.3181 S12: 0.4803 S13: 0.9747 REMARK 3 S21: 0.1968 S22: 0.0193 S23: -0.6475 REMARK 3 S31: -0.2218 S32: 0.3042 S33: 0.2988 REMARK 3 REMARK 3 TLS GROUP : 20 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 66 B 72 REMARK 3 ORIGIN FOR THE GROUP (A): 26.9713 -5.9979 -0.8245 REMARK 3 T TENSOR REMARK 3 T11: 0.1167 T22: 0.1606 REMARK 3 T33: 0.2369 T12: 0.0019 REMARK 3 T13: -0.0870 T23: -0.0573 REMARK 3 L TENSOR REMARK 3 L11: 12.0010 L22: 6.6274 REMARK 3 L33: 4.7143 L12: -5.8249 REMARK 3 L13: 3.9726 L23: -5.5221 REMARK 3 S TENSOR REMARK 3 S11: -0.0693 S12: -0.1458 S13: 0.6235 REMARK 3 S21: 0.1906 S22: -0.2919 S23: -0.4509 REMARK 3 S31: -0.1757 S32: 0.2957 S33: 0.3612 REMARK 3 REMARK 3 TLS GROUP : 21 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 73 B 92 REMARK 3 ORIGIN FOR THE GROUP (A): 18.9436 -12.8435 -6.4632 REMARK 3 T TENSOR REMARK 3 T11: 0.1540 T22: 0.1584 REMARK 3 T33: 0.1579 T12: 0.0107 REMARK 3 T13: -0.0164 T23: 0.0239 REMARK 3 L TENSOR REMARK 3 L11: 0.2706 L22: 0.5786 REMARK 3 L33: 2.0135 L12: -0.2011 REMARK 3 L13: 0.4529 L23: 0.3689 REMARK 3 S TENSOR REMARK 3 S11: 0.0313 S12: -0.0136 S13: -0.0144 REMARK 3 S21: -0.0194 S22: -0.0169 S23: 0.0309 REMARK 3 S31: 0.1527 S32: 0.0282 S33: -0.0144 REMARK 3 REMARK 3 TLS GROUP : 22 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 93 B 100 REMARK 3 ORIGIN FOR THE GROUP (A): 32.9808 -15.2520 -18.7934 REMARK 3 T TENSOR REMARK 3 T11: 0.2124 T22: 0.3078 REMARK 3 T33: 0.3475 T12: 0.1622 REMARK 3 T13: 0.0748 T23: -0.0095 REMARK 3 L TENSOR REMARK 3 L11: 2.1338 L22: 0.9125 REMARK 3 L33: 9.7988 L12: -0.7424 REMARK 3 L13: -0.4359 L23: 2.6689 REMARK 3 S TENSOR REMARK 3 S11: 0.6368 S12: 0.4379 S13: 0.3292 REMARK 3 S21: -0.0343 S22: 0.0870 S23: -0.3135 REMARK 3 S31: 0.5336 S32: 0.5638 S33: -0.7238 REMARK 3 REMARK 3 TLS GROUP : 23 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 101 B 108 REMARK 3 ORIGIN FOR THE GROUP (A): 20.8237 -9.0226 -14.6764 REMARK 3 T TENSOR REMARK 3 T11: 0.1768 T22: 0.1958 REMARK 3 T33: 0.1245 T12: -0.0095 REMARK 3 T13: -0.0017 T23: 0.0204 REMARK 3 L TENSOR REMARK 3 L11: 2.5306 L22: 1.1405 REMARK 3 L33: 1.5223 L12: 0.0667 REMARK 3 L13: 1.9568 L23: -0.0053 REMARK 3 S TENSOR REMARK 3 S11: 0.0405 S12: 0.0031 S13: 0.0165 REMARK 3 S21: -0.1549 S22: -0.0704 S23: -0.1226 REMARK 3 S31: 0.0191 S32: 0.0380 S33: 0.0299 REMARK 3 REMARK 3 TLS GROUP : 24 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 109 B 114 REMARK 3 ORIGIN FOR THE GROUP (A): 4.4053 -11.7034 -16.5403 REMARK 3 T TENSOR REMARK 3 T11: 0.2667 T22: 0.1406 REMARK 3 T33: 0.1610 T12: 0.0589 REMARK 3 T13: -0.0152 T23: -0.0163 REMARK 3 L TENSOR REMARK 3 L11: 9.4579 L22: 5.3550 REMARK 3 L33: 5.8443 L12: 7.0407 REMARK 3 L13: 1.6336 L23: 0.4412 REMARK 3 S TENSOR REMARK 3 S11: 0.0860 S12: -0.3874 S13: -0.0827 REMARK 3 S21: 0.0711 S22: -0.2220 S23: -0.0816 REMARK 3 S31: 0.2594 S32: -0.4726 S33: 0.1360 REMARK 3 REMARK 3 TLS GROUP : 25 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 115 B 127 REMARK 3 ORIGIN FOR THE GROUP (A): 20.4622 -5.4628 -16.1281 REMARK 3 T TENSOR REMARK 3 T11: 0.2046 T22: 0.1490 REMARK 3 T33: 0.1741 T12: -0.0091 REMARK 3 T13: 0.0041 T23: 0.0233 REMARK 3 L TENSOR REMARK 3 L11: 6.0572 L22: 0.3787 REMARK 3 L33: 1.7343 L12: 0.7334 REMARK 3 L13: 2.1581 L23: -0.1658 REMARK 3 S TENSOR REMARK 3 S11: -0.0698 S12: 0.1191 S13: 0.0010 REMARK 3 S21: -0.1349 S22: -0.0660 S23: -0.0923 REMARK 3 S31: -0.0540 S32: 0.2079 S33: 0.1358 REMARK 3 REMARK 3 TLS GROUP : 26 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 128 B 147 REMARK 3 ORIGIN FOR THE GROUP (A): 21.1226 -8.4863 -25.4697 REMARK 3 T TENSOR REMARK 3 T11: 0.1974 T22: 0.1895 REMARK 3 T33: 0.1054 T12: 0.0090 REMARK 3 T13: 0.0222 T23: 0.0170 REMARK 3 L TENSOR REMARK 3 L11: 7.1475 L22: 2.0500 REMARK 3 L33: 1.3775 L12: 3.2503 REMARK 3 L13: 2.4513 L23: 1.2356 REMARK 3 S TENSOR REMARK 3 S11: 0.0478 S12: 0.2187 S13: -0.1700 REMARK 3 S21: -0.1387 S22: -0.1041 S23: -0.0976 REMARK 3 S31: -0.0827 S32: 0.1620 S33: 0.0564 REMARK 3 REMARK 3 TLS GROUP : 27 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 148 B 158 REMARK 3 ORIGIN FOR THE GROUP (A): 10.1524 -4.0167 -20.2914 REMARK 3 T TENSOR REMARK 3 T11: 0.1879 T22: 0.1362 REMARK 3 T33: 0.1311 T12: 0.0014 REMARK 3 T13: -0.0163 T23: 0.0055 REMARK 3 L TENSOR REMARK 3 L11: 1.8078 L22: 3.1627 REMARK 3 L33: 0.5495 L12: 0.8632 REMARK 3 L13: 0.4435 L23: 1.3096 REMARK 3 S TENSOR REMARK 3 S11: 0.0560 S12: 0.0994 S13: -0.0238 REMARK 3 S21: -0.0947 S22: 0.0122 S23: -0.1091 REMARK 3 S31: -0.0308 S32: 0.0179 S33: -0.0682 REMARK 3 REMARK 3 TLS GROUP : 28 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 159 B 177 REMARK 3 ORIGIN FOR THE GROUP (A): 16.6036 5.5421 -21.9080 REMARK 3 T TENSOR REMARK 3 T11: 0.1632 T22: 0.1314 REMARK 3 T33: 0.1608 T12: -0.0117 REMARK 3 T13: 0.0585 T23: 0.0316 REMARK 3 L TENSOR REMARK 3 L11: 1.4675 L22: 2.8522 REMARK 3 L33: 4.0907 L12: 1.2525 REMARK 3 L13: 0.5324 L23: 0.7815 REMARK 3 S TENSOR REMARK 3 S11: -0.0838 S12: 0.2512 S13: 0.1631 REMARK 3 S21: -0.3804 S22: 0.0760 S23: -0.3215 REMARK 3 S31: -0.1331 S32: 0.3067 S33: 0.0077 REMARK 3 REMARK 3 TLS GROUP : 29 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 178 B 183 REMARK 3 ORIGIN FOR THE GROUP (A): 8.2912 8.9718 -8.8096 REMARK 3 T TENSOR REMARK 3 T11: 0.1517 T22: 0.1506 REMARK 3 T33: 0.1742 T12: 0.0016 REMARK 3 T13: -0.0105 T23: -0.0142 REMARK 3 L TENSOR REMARK 3 L11: 0.7233 L22: 2.5893 REMARK 3 L33: 1.3730 L12: 0.9640 REMARK 3 L13: -0.8926 L23: -0.5949 REMARK 3 S TENSOR REMARK 3 S11: -0.0589 S12: 0.0407 S13: -0.0132 REMARK 3 S21: -0.0682 S22: 0.0597 S23: -0.0648 REMARK 3 S31: 0.0748 S32: -0.0450 S33: -0.0009 REMARK 3 REMARK 3 TLS GROUP : 30 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 184 B 204 REMARK 3 ORIGIN FOR THE GROUP (A): 12.3884 2.8811 -17.1293 REMARK 3 T TENSOR REMARK 3 T11: 0.1665 T22: 0.1420 REMARK 3 T33: 0.1485 T12: 0.0076 REMARK 3 T13: 0.0044 T23: 0.0020 REMARK 3 L TENSOR REMARK 3 L11: 0.3689 L22: 1.0451 REMARK 3 L33: 2.3833 L12: -0.3535 REMARK 3 L13: 0.1942 L23: 1.0810 REMARK 3 S TENSOR REMARK 3 S11: 0.0640 S12: 0.0632 S13: 0.1341 REMARK 3 S21: -0.0800 S22: -0.0382 S23: -0.1715 REMARK 3 S31: 0.0249 S32: 0.0615 S33: -0.0259 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3PZJ COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-DEC-10. REMARK 100 THE RCSB ID CODE IS RCSB063005. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-AUG-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 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) : 0.9794 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-3000 REMARK 200 DATA SCALING SOFTWARE : HKL-3000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32081 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 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 (%) : 98.9 REMARK 200 DATA REDUNDANCY : 4.100 REMARK 200 R MERGE (I) : 0.07100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 30.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.92 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: HKL3000,SHELX,ARP/WARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.22 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 35% TACSIMATE, PH 7.0, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 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 32.33250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 42.63550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.71700 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 42.63550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 32.33250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.71700 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3590 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 17650 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 SER A -2 REMARK 465 ASN A -1 REMARK 465 ALA A 0 REMARK 465 MSE A 1 REMARK 465 HIS A 2 REMARK 465 SER A 3 REMARK 465 PRO A 4 REMARK 465 GLN A 5 REMARK 465 ILE A 6 REMARK 465 LEU A 205 REMARK 465 LYS A 206 REMARK 465 SER B -2 REMARK 465 ASN B -1 REMARK 465 ALA B 0 REMARK 465 MSE B 1 REMARK 465 HIS B 2 REMARK 465 SER B 3 REMARK 465 PRO B 4 REMARK 465 GLN B 5 REMARK 465 ILE B 6 REMARK 465 SER B 7 REMARK 465 PRO B 8 REMARK 465 PRO B 9 REMARK 465 ILE B 10 REMARK 465 ALA B 11 REMARK 465 PRO B 12 REMARK 465 SER B 13 REMARK 465 THR B 14 REMARK 465 PRO B 15 REMARK 465 LEU B 16 REMARK 465 LEU B 17 REMARK 465 LYS B 96 REMARK 465 ASP B 97 REMARK 465 ARG B 130 REMARK 465 THR B 131 REMARK 465 LEU B 205 REMARK 465 LYS B 206 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 LYS A 25 CG CD CE NZ REMARK 470 GLU A 28 CG CD OE1 OE2 REMARK 470 ARG A 32 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 34 CG CD OE1 OE2 REMARK 470 LYS A 96 CG CD CE NZ REMARK 470 ARG A 130 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 132 CG CD NE CZ NH1 NH2 REMARK 470 LYS B 25 CG CD CE NZ REMARK 470 ARG B 32 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 34 CG CD OE1 OE2 REMARK 470 GLU B 62 CG CD OE1 OE2 REMARK 470 GLU B 70 CG CD OE1 OE2 REMARK 470 ARG B 129 CG CD NE CZ NH1 NH2 REMARK 470 ARG B 132 CG CD NE CZ NH1 NH2 REMARK 470 LYS B 143 CG CD CE NZ REMARK 470 LYS B 186 CG CD CE NZ 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 GLU B 62 -72.89 -50.22 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 NA A 301 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 VAL A 83 O REMARK 620 2 THR A 88 O 118.4 REMARK 620 3 HOH A 278 O 106.4 134.5 REMARK 620 4 GLN A 85 O 95.5 90.8 92.6 REMARK 620 5 HOH A 257 O 97.2 82.0 85.0 167.3 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA B 301 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR B 88 O REMARK 620 2 GLN B 85 O 92.3 REMARK 620 3 VAL B 83 O 117.9 89.4 REMARK 620 4 HOH B 234 O 88.6 176.6 93.1 REMARK 620 5 HOH B 235 O 80.8 104.1 156.9 72.8 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: APC67522.3 RELATED DB: TARGETDB DBREF 3PZJ A 1 206 UNP Q7NX87 Q7NX87_CHRVO 1 206 DBREF 3PZJ B 1 206 UNP Q7NX87 Q7NX87_CHRVO 1 206 SEQADV 3PZJ SER A -2 UNP Q7NX87 EXPRESSION TAG SEQADV 3PZJ ASN A -1 UNP Q7NX87 EXPRESSION TAG SEQADV 3PZJ ALA A 0 UNP Q7NX87 EXPRESSION TAG SEQADV 3PZJ SER B -2 UNP Q7NX87 EXPRESSION TAG SEQADV 3PZJ ASN B -1 UNP Q7NX87 EXPRESSION TAG SEQADV 3PZJ ALA B 0 UNP Q7NX87 EXPRESSION TAG SEQRES 1 A 209 SER ASN ALA MSE HIS SER PRO GLN ILE SER PRO PRO ILE SEQRES 2 A 209 ALA PRO SER THR PRO LEU LEU ALA GLY TRP ARG SER ALA SEQRES 3 A 209 GLY LYS ALA PRO GLU ALA ALA ILE ARG GLY GLU ALA VAL SEQRES 4 A 209 SER LEU GLN PRO LEU ASP ALA PRO ARG HIS GLY ALA ALA SEQRES 5 A 209 LEU PHE ARG LEU PHE ALA GLY ASP ASP SER HIS TRP GLU SEQRES 6 A 209 HIS LEU PRO TYR GLY PRO PHE GLU ASP GLU ASP ALA PHE SEQRES 7 A 209 ILE THR TRP LEU ALA LEU THR VAL ALA GLN SER ASP THR SEQRES 8 A 209 ALA LEU TYR VAL VAL CYS ALA LYS ASP SER ASP GLN ALA SEQRES 9 A 209 LEU GLY PHE LEU GLY TYR ARG GLN MSE VAL GLN ALA HIS SEQRES 10 A 209 GLY ALA ILE GLU ILE GLY HIS VAL ASN PHE SER PRO ALA SEQRES 11 A 209 LEU ARG ARG THR ARG LEU ALA THR GLU ALA VAL PHE LEU SEQRES 12 A 209 LEU LEU LYS THR ALA PHE GLU LEU GLY TYR ARG ARG CYS SEQRES 13 A 209 GLU TRP ARG CYS ASP SER ARG ASN ALA ALA SER ALA ALA SEQRES 14 A 209 ALA ALA ARG ARG PHE GLY PHE GLN PHE GLU GLY THR LEU SEQRES 15 A 209 ARG GLN ALA MSE VAL VAL LYS ARG ARG ASN ARG ASP THR SEQRES 16 A 209 HIS VAL PHE SER MSE LEU ASP GLY GLU TRP ASP ALA LEU SEQRES 17 A 209 LYS SEQRES 1 B 209 SER ASN ALA MSE HIS SER PRO GLN ILE SER PRO PRO ILE SEQRES 2 B 209 ALA PRO SER THR PRO LEU LEU ALA GLY TRP ARG SER ALA SEQRES 3 B 209 GLY LYS ALA PRO GLU ALA ALA ILE ARG GLY GLU ALA VAL SEQRES 4 B 209 SER LEU GLN PRO LEU ASP ALA PRO ARG HIS GLY ALA ALA SEQRES 5 B 209 LEU PHE ARG LEU PHE ALA GLY ASP ASP SER HIS TRP GLU SEQRES 6 B 209 HIS LEU PRO TYR GLY PRO PHE GLU ASP GLU ASP ALA PHE SEQRES 7 B 209 ILE THR TRP LEU ALA LEU THR VAL ALA GLN SER ASP THR SEQRES 8 B 209 ALA LEU TYR VAL VAL CYS ALA LYS ASP SER ASP GLN ALA SEQRES 9 B 209 LEU GLY PHE LEU GLY TYR ARG GLN MSE VAL GLN ALA HIS SEQRES 10 B 209 GLY ALA ILE GLU ILE GLY HIS VAL ASN PHE SER PRO ALA SEQRES 11 B 209 LEU ARG ARG THR ARG LEU ALA THR GLU ALA VAL PHE LEU SEQRES 12 B 209 LEU LEU LYS THR ALA PHE GLU LEU GLY TYR ARG ARG CYS SEQRES 13 B 209 GLU TRP ARG CYS ASP SER ARG ASN ALA ALA SER ALA ALA SEQRES 14 B 209 ALA ALA ARG ARG PHE GLY PHE GLN PHE GLU GLY THR LEU SEQRES 15 B 209 ARG GLN ALA MSE VAL VAL LYS ARG ARG ASN ARG ASP THR SEQRES 16 B 209 HIS VAL PHE SER MSE LEU ASP GLY GLU TRP ASP ALA LEU SEQRES 17 B 209 LYS MODRES 3PZJ MSE A 110 MET SELENOMETHIONINE MODRES 3PZJ MSE A 183 MET SELENOMETHIONINE MODRES 3PZJ MSE A 197 MET SELENOMETHIONINE MODRES 3PZJ MSE B 110 MET SELENOMETHIONINE MODRES 3PZJ MSE B 183 MET SELENOMETHIONINE MODRES 3PZJ MSE B 197 MET SELENOMETHIONINE HET MSE A 110 13 HET MSE A 183 8 HET MSE A 197 8 HET MSE B 110 8 HET MSE B 183 8 HET MSE B 197 8 HET NA A 301 1 HET EDO A 207 4 HET NA B 301 1 HETNAM MSE SELENOMETHIONINE HETNAM NA SODIUM ION HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 1 MSE 6(C5 H11 N O2 SE) FORMUL 3 NA 2(NA 1+) FORMUL 4 EDO C2 H6 O2 FORMUL 6 HOH *137(H2 O) HELIX 1 1 ASP A 42 GLY A 56 1 15 HELIX 2 2 ASP A 57 GLU A 62 5 6 HELIX 3 3 ASP A 71 GLN A 85 1 15 HELIX 4 4 GLN A 112 HIS A 114 5 3 HELIX 5 5 THR A 131 LEU A 148 1 18 HELIX 6 6 ASN A 161 GLY A 172 1 12 HELIX 7 7 ASP A 199 ALA A 204 1 6 HELIX 8 8 ASP B 42 ALA B 55 1 14 HELIX 9 9 ASP B 57 GLU B 62 5 6 HELIX 10 10 ASP B 71 ALA B 84 1 14 HELIX 11 11 ARG B 132 LEU B 148 1 17 HELIX 12 12 ASN B 161 GLY B 172 1 12 HELIX 13 13 ASP B 199 ALA B 204 1 6 SHEET 1 A 8 ILE A 31 ARG A 32 0 SHEET 2 A 8 VAL A 36 PRO A 40 -1 O LEU A 38 N ILE A 31 SHEET 3 A 8 ALA A 89 ALA A 95 -1 O VAL A 92 N GLN A 39 SHEET 4 A 8 GLY A 103 VAL A 111 -1 O GLY A 103 N VAL A 93 SHEET 5 A 8 ALA A 116 PHE A 124 -1 O ALA A 116 N VAL A 111 SHEET 6 A 8 ARG A 152 ASP A 158 1 O GLU A 154 N ILE A 119 SHEET 7 A 8 ARG A 188 LEU A 198 -1 O HIS A 193 N CYS A 157 SHEET 8 A 8 GLN A 174 VAL A 185 -1 N GLY A 177 O VAL A 194 SHEET 1 B 8 ILE B 31 ARG B 32 0 SHEET 2 B 8 SER B 37 PRO B 40 -1 O LEU B 38 N ILE B 31 SHEET 3 B 8 ALA B 89 CYS B 94 -1 O VAL B 92 N GLN B 39 SHEET 4 B 8 ALA B 101 VAL B 111 -1 O LEU B 102 N VAL B 93 SHEET 5 B 8 ALA B 116 PHE B 124 -1 O ASN B 123 N PHE B 104 SHEET 6 B 8 ARG B 152 ASP B 158 1 O GLU B 154 N ILE B 117 SHEET 7 B 8 ARG B 188 LEU B 198 -1 O PHE B 195 N TRP B 155 SHEET 8 B 8 GLN B 174 VAL B 185 -1 N GLU B 176 O VAL B 194 LINK C GLN A 109 N MSE A 110 1555 1555 1.33 LINK C MSE A 110 N VAL A 111 1555 1555 1.32 LINK C ALA A 182 N MSE A 183 1555 1555 1.34 LINK C MSE A 183 N VAL A 184 1555 1555 1.32 LINK C SER A 196 N MSE A 197 1555 1555 1.33 LINK C MSE A 197 N LEU A 198 1555 1555 1.33 LINK C GLN B 109 N MSE B 110 1555 1555 1.33 LINK C MSE B 110 N VAL B 111 1555 1555 1.34 LINK C ALA B 182 N MSE B 183 1555 1555 1.33 LINK C MSE B 183 N VAL B 184 1555 1555 1.33 LINK C SER B 196 N MSE B 197 1555 1555 1.32 LINK C MSE B 197 N LEU B 198 1555 1555 1.34 LINK O VAL A 83 NA NA A 301 1555 1555 2.19 LINK O THR B 88 NA NA B 301 1555 1555 2.19 LINK O THR A 88 NA NA A 301 1555 1555 2.23 LINK O GLN B 85 NA NA B 301 1555 1555 2.30 LINK NA NA A 301 O HOH A 278 1555 1555 2.33 LINK O GLN A 85 NA NA A 301 1555 1555 2.35 LINK O VAL B 83 NA NA B 301 1555 1555 2.40 LINK NA NA A 301 O HOH A 257 1555 1555 2.43 LINK NA NA B 301 O HOH B 234 1555 1555 2.56 LINK NA NA B 301 O HOH B 235 1555 1555 2.64 CISPEP 1 GLY A 67 PRO A 68 0 -8.57 CISPEP 2 GLY B 67 PRO B 68 0 -6.43 SITE *** AC1 5 VAL A 83 GLN A 85 THR A 88 HOH A 257 SITE *** AC1 5 HOH A 278 SITE *** AC2 4 TYR A 66 ARG A 108 GLY A 120 HIS A 121 SITE *** AC3 5 VAL B 83 GLN B 85 THR B 88 HOH B 234 SITE *** AC3 5 HOH B 235 CRYST1 64.665 67.434 85.271 90.00 90.00 90.00 P 21 21 21 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 0.015464 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014829 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011727 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 178 THR OG1 : rot -77:sc= 2.42 USER MOD Set 1.2: B 193 HIS : no HD1:sc= 1.34 K(o=3.8,f=-10!) USER MOD Set 2.1: B 60 HIS : no HD1:sc= 0.524 X(o=-1.4,f=-1.8!) USER MOD Set 2.2: B 66 TYR OH : rot -144:sc= -0.113 USER MOD Set 2.3: B 121 HIS : no HD1:sc= -2.72! K(o=-1.4!,f=3.7) USER MOD Set 2.4: B 123 ASN : amide:sc= 0.937 K(o=-1.4,f=3.7) USER MOD Set 3.1: B 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 39 GLN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Set 4.1: A 178 THR OG1 : rot -83:sc= 2.36 USER MOD Set 4.2: A 193 HIS : no HD1:sc= 2.38 K(o=4.7,f=-6.6!) USER MOD Set 5.1: A 60 HIS : no HD1:sc= 0.498 K(o=2.6,f=-3!) USER MOD Set 5.2: A 66 TYR OH : rot -123:sc= 0.891 USER MOD Set 5.3: A 121 HIS : no HD1:sc= -0.458 K(o=2.6,f=3.1) USER MOD Set 5.4: A 123 ASN : amide:sc= 1.14 X(o=2.6,f=2.7) USER MOD Set 5.5: A 207 EDO O1 : rot -30:sc= 0.475 USER MOD Set 6.1: A 37 SER OG : rot -100:sc= 0.273 USER MOD Set 6.2: A 39 GLN : amide:sc= 0.316 K(o=0.59,f=-0.24) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 105:sc= 0.276 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.09! K(o=-4.1!,f=-0.28) USER MOD Single : A 59 SER OG : rot 180:sc= -0.405 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 75:sc= 1.77 USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.75 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 67:sc= 0.523 USER MOD Single : A 91 TYR OH : rot 28:sc= 1.12 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.505 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 107 TYR OH : rot 11:sc= 1.03 USER MOD Single : A 109 GLN : amide:sc= 0.953 X(o=0.95,f=0.56) USER MOD Single : A 112 GLN : amide:sc= 0.736 K(o=0.74,f=-0.0023) USER MOD Single : A 114 HIS : no HD1:sc= 0.023 K(o=0.023,f=-4.3!) USER MOD Single : A 125 SER OG : rot -98:sc= 0.239 USER MOD Single : A 131 THR OG1 : rot -101:sc= 1.2 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 82:sc= 2.2 USER MOD Single : A 150 TYR OH : rot 162:sc= 0.25 USER MOD Single : A 153 CYS SG A: rot 109:sc= 0.34 USER MOD Single : A 153 CYS SG B: rot 150:sc= -0.789 USER MOD Single : A 157 CYS SG : rot 170:sc= 0 USER MOD Single : A 159 SER OG : rot -63:sc= 0.793 USER MOD Single : A 161 ASN : amide:sc= 0.01 K(o=0.01,f=-2.2!) USER MOD Single : A 164 SER OG : rot 170:sc= 0.512 USER MOD Single : A 174 GLN : amide:sc= -0.02 X(o=-0.02,f=0.37) USER MOD Single : A 181 GLN : amide:sc= 0.273 X(o=0.27,f=0.57) USER MOD Single : A 186 LYS NZ :NH3+ 171:sc= 1.93 (180deg=1.86) USER MOD Single : A 189 ASN : amide:sc= 0.112 K(o=0.11,f=-7!) USER MOD Single : A 192 THR OG1 : rot 158:sc= 1.52 USER MOD Single : A 196 SER OG : rot -140:sc= 1.71 USER MOD Single : A 207 EDO O2 : rot 180:sc= 0.118 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 46 HIS : no HD1:sc= -4.06! K(o=-4.1!,f=0.23) USER MOD Single : B 59 SER OG : rot -54:sc= 0.012 USER MOD Single : B 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 THR OG1 : rot 77:sc= 1.78 USER MOD Single : B 82 THR OG1 : rot 80:sc= 1.35 USER MOD Single : B 85 GLN A: amide:sc= 0.752 X(o=0.75,f=0.43) USER MOD Single : B 85 GLN B: amide:sc= 0.625 X(o=0.63,f=0.68) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 88 THR OG1 : rot 66:sc= 1.01 USER MOD Single : B 91 TYR OH : rot 10:sc= 0.443 USER MOD Single : B 94 CYS SG : rot 180:sc= 0 USER MOD Single : B 98 SER OG : rot -37:sc= 0.0328 USER MOD Single : B 100 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : B 107 TYR OH : rot 9:sc= 1.13 USER MOD Single : B 109 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.3) USER MOD Single : B 112 GLN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : B 114 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=0.032) USER MOD Single : B 125 SER OG : rot -93:sc= 0.392 USER MOD Single : B 135 THR OG1 : rot 180:sc= 0 USER MOD Single : B 144 THR OG1 : rot 90:sc= 1.33 USER MOD Single : B 150 TYR OH : rot 157:sc= 0.64 USER MOD Single : B 153 CYS SG : rot 180:sc= 0 USER MOD Single : B 157 CYS SG : rot 180:sc= 0 USER MOD Single : B 159 SER OG : rot -36:sc= 2.36 USER MOD Single : B 161 ASN : amide:sc= 0.243 K(o=0.24,f=-3.4!) USER MOD Single : B 164 SER OG : rot 66:sc= 0.315 USER MOD Single : B 174 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.0084) USER MOD Single : B 181 GLN : amide:sc= 1.03 K(o=1,f=-0.053) USER MOD Single : B 189 ASN : amide:sc= 0.448 K(o=0.45,f=-6.7!) USER MOD Single : B 192 THR OG1 : rot 173:sc= 1.89 USER MOD Single : B 196 SER OG : rot -159:sc= 1.93 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 14.228 13.934 -25.227 1.00 62.80 N ANISOU 1 N SER A 7 10065 7294 6499 -578 -427 -417 N ATOM 2 CA SER A 7 14.641 12.899 -24.250 1.00 60.52 C ANISOU 2 CA SER A 7 9235 7303 6456 -561 -225 -429 C ATOM 3 C SER A 7 14.444 13.416 -22.819 1.00 57.25 C ANISOU 3 C SER A 7 8261 7162 6326 -486 -237 -431 C ATOM 4 O SER A 7 14.661 14.601 -22.534 1.00 56.82 O ANISOU 4 O SER A 7 8198 7118 6271 -491 -179 -442 O ATOM 5 CB SER A 7 16.095 12.468 -24.482 1.00 60.87 C ANISOU 5 CB SER A 7 9354 7338 6433 -675 258 -484 C ATOM 6 OG SER A 7 16.992 13.217 -23.682 1.00 61.12 O ANISOU 6 OG SER A 7 9094 7507 6619 -697 534 -534 O ATOM 0 HA SER A 7 14.081 12.117 -24.377 1.00 60.52 H new ATOM 0 HB2 SER A 7 16.190 11.524 -24.280 1.00 60.87 H new ATOM 0 HB3 SER A 7 16.322 12.582 -25.418 1.00 60.87 H new ATOM 0 HG SER A 7 17.779 12.961 -23.827 1.00 61.12 H new ATOM 7 N PRO A 8 14.039 12.521 -21.908 1.00 54.67 N ANISOU 7 N PRO A 8 7511 7034 6224 -424 -294 -421 N ATOM 8 CA PRO A 8 13.570 12.931 -20.595 1.00 52.41 C ANISOU 8 CA PRO A 8 6800 6937 6177 -352 -339 -420 C ATOM 9 C PRO A 8 14.616 13.664 -19.692 1.00 51.11 C ANISOU 9 C PRO A 8 6448 6919 6049 -373 -72 -449 C ATOM 10 O PRO A 8 15.820 13.538 -19.863 1.00 50.06 O ANISOU 10 O PRO A 8 6373 6788 5860 -437 179 -487 O ATOM 11 CB PRO A 8 13.133 11.598 -19.974 1.00 51.63 C ANISOU 11 CB PRO A 8 6415 6957 6242 -311 -367 -412 C ATOM 12 CG PRO A 8 14.020 10.601 -20.600 1.00 51.68 C ANISOU 12 CG PRO A 8 6578 6946 6112 -372 -202 -420 C ATOM 13 CD PRO A 8 14.132 11.052 -22.021 1.00 53.98 C ANISOU 13 CD PRO A 8 7358 6991 6159 -431 -253 -418 C ATOM 0 HA PRO A 8 12.875 13.603 -20.672 1.00 52.41 H new ATOM 0 HB2 PRO A 8 13.234 11.606 -19.009 1.00 51.63 H new ATOM 0 HB3 PRO A 8 12.200 11.409 -20.160 1.00 51.63 H new ATOM 0 HG2 PRO A 8 14.887 10.576 -20.166 1.00 51.68 H new ATOM 0 HG3 PRO A 8 13.647 9.707 -20.540 1.00 51.68 H new ATOM 0 HD2 PRO A 8 14.971 10.774 -22.421 1.00 53.98 H new ATOM 0 HD3 PRO A 8 13.421 10.688 -22.571 1.00 53.98 H new ATOM 14 N PRO A 9 14.134 14.447 -18.729 1.00 51.04 N ANISOU 14 N PRO A 9 6213 7002 6175 -318 -134 -444 N ATOM 15 CA PRO A 9 15.047 15.238 -17.924 1.00 50.67 C ANISOU 15 CA PRO A 9 6038 7058 6156 -329 53 -473 C ATOM 16 C PRO A 9 16.164 14.414 -17.267 1.00 50.30 C ANISOU 16 C PRO A 9 5818 7117 6174 -344 241 -510 C ATOM 17 O PRO A 9 15.947 13.235 -16.900 1.00 49.73 O ANISOU 17 O PRO A 9 5627 7108 6158 -319 211 -499 O ATOM 18 CB PRO A 9 14.126 15.859 -16.863 1.00 50.24 C ANISOU 18 CB PRO A 9 5764 7076 6249 -261 -54 -458 C ATOM 19 CG PRO A 9 12.794 15.935 -17.537 1.00 52.37 C ANISOU 19 CG PRO A 9 6113 7208 6577 -231 -308 -440 C ATOM 20 CD PRO A 9 12.718 14.798 -18.494 1.00 51.26 C ANISOU 20 CD PRO A 9 6135 6982 6359 -252 -385 -429 C ATOM 0 HA PRO A 9 15.526 15.886 -18.464 1.00 50.67 H new ATOM 0 HB2 PRO A 9 14.088 15.313 -16.062 1.00 50.24 H new ATOM 0 HB3 PRO A 9 14.438 16.737 -16.593 1.00 50.24 H new ATOM 0 HG2 PRO A 9 12.077 15.882 -16.885 1.00 52.37 H new ATOM 0 HG3 PRO A 9 12.693 16.781 -18.002 1.00 52.37 H new ATOM 0 HD2 PRO A 9 12.222 14.052 -18.123 1.00 51.26 H new ATOM 0 HD3 PRO A 9 12.272 15.053 -19.317 1.00 51.26 H new ATOM 21 N ILE A 10 17.350 15.020 -17.166 1.00 50.09 N ANISOU 21 N ILE A 10 5781 7077 6174 -383 416 -568 N ATOM 22 CA ILE A 10 18.383 14.535 -16.263 1.00 49.78 C ANISOU 22 CA ILE A 10 5520 7104 6289 -370 505 -627 C ATOM 23 C ILE A 10 18.135 15.285 -14.968 1.00 49.47 C ANISOU 23 C ILE A 10 5334 7156 6305 -304 410 -614 C ATOM 24 O ILE A 10 18.155 16.532 -14.932 1.00 50.05 O ANISOU 24 O ILE A 10 5442 7210 6362 -309 424 -619 O ATOM 25 CB ILE A 10 19.812 14.803 -16.736 1.00 51.30 C ANISOU 25 CB ILE A 10 5720 7181 6590 -443 731 -729 C ATOM 26 CG1 ILE A 10 20.145 14.024 -18.046 1.00 53.45 C ANISOU 26 CG1 ILE A 10 6194 7314 6799 -529 907 -756 C ATOM 27 CG2 ILE A 10 20.797 14.392 -15.618 1.00 49.26 C ANISOU 27 CG2 ILE A 10 5185 6955 6576 -401 708 -809 C ATOM 28 CD1 ILE A 10 19.446 14.485 -19.355 1.00 54.58 C ANISOU 28 CD1 ILE A 10 6743 7320 6676 -585 921 -703 C ATOM 0 H ILE A 10 17.572 15.718 -17.617 1.00 50.09 H new ATOM 0 HA ILE A 10 18.324 13.570 -16.190 1.00 49.78 H new ATOM 0 HB ILE A 10 19.896 15.750 -16.930 1.00 51.30 H new ATOM 0 HG12 ILE A 10 21.104 14.071 -18.186 1.00 53.45 H new ATOM 0 HG13 ILE A 10 19.925 13.090 -17.903 1.00 53.45 H new ATOM 0 HG21 ILE A 10 21.707 14.559 -15.910 1.00 49.26 H new ATOM 0 HG22 ILE A 10 20.614 14.911 -14.819 1.00 49.26 H new ATOM 0 HG23 ILE A 10 20.689 13.448 -15.422 1.00 49.26 H new ATOM 0 HD11 ILE A 10 19.736 13.924 -20.092 1.00 54.58 H new ATOM 0 HD12 ILE A 10 18.484 14.411 -19.252 1.00 54.58 H new ATOM 0 HD13 ILE A 10 19.681 15.408 -19.540 1.00 54.58 H new ATOM 29 N ALA A 11 17.885 14.541 -13.896 1.00 47.83 N ANISOU 29 N ALA A 11 5010 7022 6139 -247 325 -598 N ATOM 30 CA ALA A 11 17.665 15.167 -12.605 1.00 47.22 C ANISOU 30 CA ALA A 11 4881 6985 6075 -193 262 -590 C ATOM 31 C ALA A 11 19.032 15.447 -11.953 1.00 47.31 C ANISOU 31 C ALA A 11 4820 6955 6201 -179 247 -671 C ATOM 32 O ALA A 11 19.934 14.584 -11.987 1.00 46.40 O ANISOU 32 O ALA A 11 4636 6793 6200 -182 236 -732 O ATOM 33 CB ALA A 11 16.818 14.279 -11.723 1.00 46.21 C ANISOU 33 CB ALA A 11 4752 6887 5919 -151 216 -548 C ATOM 0 H ALA A 11 17.839 13.682 -13.897 1.00 47.83 H new ATOM 0 HA ALA A 11 17.187 16.003 -12.722 1.00 47.22 H new ATOM 0 HB1 ALA A 11 16.680 14.711 -10.865 1.00 46.21 H new ATOM 0 HB2 ALA A 11 15.960 14.124 -12.148 1.00 46.21 H new ATOM 0 HB3 ALA A 11 17.269 13.431 -11.589 1.00 46.21 H new ATOM 34 N PRO A 12 19.190 16.652 -11.346 1.00 47.55 N ANISOU 34 N PRO A 12 4848 6975 6241 -158 222 -685 N ATOM 35 CA PRO A 12 20.418 16.928 -10.593 1.00 48.10 C ANISOU 35 CA PRO A 12 4844 6968 6464 -128 138 -774 C ATOM 36 C PRO A 12 20.508 16.179 -9.250 1.00 48.49 C ANISOU 36 C PRO A 12 4959 6976 6486 -56 -47 -777 C ATOM 37 O PRO A 12 19.553 15.522 -8.826 1.00 46.46 O ANISOU 37 O PRO A 12 4819 6759 6073 -40 -44 -704 O ATOM 38 CB PRO A 12 20.300 18.449 -10.313 1.00 48.23 C ANISOU 38 CB PRO A 12 4882 6989 6452 -123 150 -769 C ATOM 39 CG PRO A 12 18.818 18.652 -10.100 1.00 47.76 C ANISOU 39 CG PRO A 12 4926 7008 6211 -112 170 -667 C ATOM 40 CD PRO A 12 18.167 17.711 -11.137 1.00 47.14 C ANISOU 40 CD PRO A 12 4855 6961 6092 -148 229 -626 C ATOM 0 HA PRO A 12 21.203 16.647 -11.088 1.00 48.10 H new ATOM 0 HB2 PRO A 12 20.813 18.710 -9.532 1.00 48.23 H new ATOM 0 HB3 PRO A 12 20.630 18.976 -11.057 1.00 48.23 H new ATOM 0 HG2 PRO A 12 18.553 18.423 -9.195 1.00 47.76 H new ATOM 0 HG3 PRO A 12 18.560 19.576 -10.246 1.00 47.76 H new ATOM 0 HD2 PRO A 12 17.333 17.341 -10.808 1.00 47.14 H new ATOM 0 HD3 PRO A 12 17.964 18.177 -11.963 1.00 47.14 H new ATOM 41 N SER A 13 21.628 16.369 -8.540 1.00 57.60 N ANISOU 41 N SER A 13 6671 8644 6570 -583 11 813 N ATOM 42 CA SER A 13 21.757 15.905 -7.165 1.00 53.10 C ANISOU 42 CA SER A 13 6252 7281 6640 -561 -297 322 C ATOM 43 C SER A 13 20.751 16.650 -6.276 1.00 50.55 C ANISOU 43 C SER A 13 6071 6630 6506 -350 -440 770 C ATOM 44 O SER A 13 20.463 17.814 -6.534 1.00 53.37 O ANISOU 44 O SER A 13 6369 6911 6997 -204 -159 1429 O ATOM 45 CB SER A 13 23.154 16.152 -6.637 1.00 53.25 C ANISOU 45 CB SER A 13 6219 6666 7345 -613 -147 -36 C ATOM 46 OG SER A 13 23.369 15.317 -5.516 1.00 54.73 O ANISOU 46 OG SER A 13 6443 6496 7853 -552 -534 -502 O ATOM 0 H SER A 13 22.326 16.768 -8.845 1.00 57.60 H new ATOM 0 HA SER A 13 21.580 14.951 -7.149 1.00 53.10 H new ATOM 0 HB2 SER A 13 23.811 15.966 -7.326 1.00 53.25 H new ATOM 0 HB3 SER A 13 23.260 17.083 -6.388 1.00 53.25 H new ATOM 0 HG SER A 13 24.143 15.445 -5.215 1.00 54.73 H new ATOM 47 N THR A 14 20.184 15.966 -5.280 1.00 47.00 N ANISOU 47 N THR A 14 5755 5962 6139 -326 -773 468 N ATOM 48 CA THR A 14 19.315 16.625 -4.303 1.00 45.58 C ANISOU 48 CA THR A 14 5680 5466 6172 -200 -844 702 C ATOM 49 C THR A 14 19.702 16.273 -2.858 1.00 42.66 C ANISOU 49 C THR A 14 5429 4722 6058 -200 -1046 285 C ATOM 50 O THR A 14 20.378 15.285 -2.601 1.00 41.56 O ANISOU 50 O THR A 14 5304 4572 5912 -201 -1217 -7 O ATOM 51 CB THR A 14 17.790 16.332 -4.551 1.00 47.14 C ANISOU 51 CB THR A 14 5860 6051 5998 -141 -993 924 C ATOM 52 OG1 THR A 14 17.608 14.940 -4.779 1.00 46.42 O ANISOU 52 OG1 THR A 14 5745 6234 5654 -283 -1144 447 O ATOM 53 CG2 THR A 14 17.212 17.172 -5.735 1.00 51.23 C ANISOU 53 CG2 THR A 14 6139 7117 6208 21 -853 1621 C ATOM 0 H THR A 14 20.290 15.122 -5.153 1.00 47.00 H new ATOM 0 HA THR A 14 19.452 17.577 -4.430 1.00 45.58 H new ATOM 0 HB THR A 14 17.298 16.598 -3.758 1.00 47.14 H new ATOM 0 HG1 THR A 14 17.269 14.586 -4.097 1.00 46.42 H new ATOM 0 HG21 THR A 14 16.273 16.961 -5.853 1.00 51.23 H new ATOM 0 HG22 THR A 14 17.309 18.117 -5.539 1.00 51.23 H new ATOM 0 HG23 THR A 14 17.695 16.960 -6.549 1.00 51.23 H new ATOM 54 N PRO A 15 19.293 17.114 -1.907 1.00 42.07 N ANISOU 54 N PRO A 15 5353 4413 6217 -176 -987 276 N ATOM 55 CA PRO A 15 19.675 16.802 -0.553 1.00 42.06 C ANISOU 55 CA PRO A 15 5388 4421 6169 -171 -1205 -115 C ATOM 56 C PRO A 15 19.064 15.503 -0.055 1.00 39.93 C ANISOU 56 C PRO A 15 5349 4297 5526 -86 -1441 15 C ATOM 57 O PRO A 15 18.113 14.997 -0.625 1.00 40.12 O ANISOU 57 O PRO A 15 5462 4322 5460 -110 -1383 210 O ATOM 58 CB PRO A 15 19.133 17.995 0.248 1.00 42.78 C ANISOU 58 CB PRO A 15 5345 4352 6556 -257 -975 -304 C ATOM 59 CG PRO A 15 17.994 18.496 -0.544 1.00 43.51 C ANISOU 59 CG PRO A 15 5440 4254 6834 -210 -739 200 C ATOM 60 CD PRO A 15 18.504 18.368 -1.959 1.00 45.00 C ANISOU 60 CD PRO A 15 5594 4550 6953 -144 -675 586 C ATOM 0 HA PRO A 15 20.633 16.672 -0.468 1.00 42.06 H new ATOM 0 HB2 PRO A 15 18.852 17.724 1.136 1.00 42.78 H new ATOM 0 HB3 PRO A 15 19.811 18.680 0.362 1.00 42.78 H new ATOM 0 HG2 PRO A 15 17.193 17.969 -0.399 1.00 43.51 H new ATOM 0 HG3 PRO A 15 17.774 19.414 -0.320 1.00 43.51 H new ATOM 0 HD2 PRO A 15 17.778 18.311 -2.600 1.00 45.00 H new ATOM 0 HD3 PRO A 15 19.050 19.127 -2.216 1.00 45.00 H new ATOM 61 N LEU A 16 19.654 14.965 0.979 1.00 40.89 N ANISOU 61 N LEU A 16 5476 4584 5474 32 -1662 -75 N ATOM 62 CA LEU A 16 19.046 13.889 1.731 1.00 43.14 C ANISOU 62 CA LEU A 16 5960 4926 5503 168 -1729 246 C ATOM 63 C LEU A 16 17.651 14.285 2.225 1.00 41.97 C ANISOU 63 C LEU A 16 5973 4780 5194 44 -1541 297 C ATOM 64 O LEU A 16 17.388 15.470 2.530 1.00 39.71 O ANISOU 64 O LEU A 16 5580 4563 4944 -95 -1440 7 O ATOM 65 CB LEU A 16 19.900 13.558 2.932 1.00 48.65 C ANISOU 65 CB LEU A 16 6561 6055 5867 410 -2012 331 C ATOM 66 CG LEU A 16 20.847 12.371 2.792 1.00 53.80 C ANISOU 66 CG LEU A 16 7086 6591 6762 711 -2164 661 C ATOM 67 CD1 LEU A 16 21.997 12.786 1.871 1.00 55.73 C ANISOU 67 CD1 LEU A 16 7047 6718 7408 621 -2230 190 C ATOM 68 CD2 LEU A 16 21.302 11.908 4.160 1.00 62.53 C ANISOU 68 CD2 LEU A 16 8091 8308 7358 1097 -2461 1117 C ATOM 0 H LEU A 16 20.424 15.211 1.272 1.00 40.89 H new ATOM 0 HA LEU A 16 18.972 13.120 1.144 1.00 43.14 H new ATOM 0 HB2 LEU A 16 20.427 14.341 3.154 1.00 48.65 H new ATOM 0 HB3 LEU A 16 19.312 13.389 3.685 1.00 48.65 H new ATOM 0 HG LEU A 16 20.405 11.608 2.388 1.00 53.80 H new ATOM 0 HD11 LEU A 16 22.613 12.044 1.768 1.00 55.73 H new ATOM 0 HD12 LEU A 16 21.643 13.035 1.003 1.00 55.73 H new ATOM 0 HD13 LEU A 16 22.465 13.543 2.258 1.00 55.73 H new ATOM 0 HD21 LEU A 16 21.904 11.153 4.063 1.00 62.53 H new ATOM 0 HD22 LEU A 16 21.763 12.633 4.610 1.00 62.53 H new ATOM 0 HD23 LEU A 16 20.531 11.641 4.684 1.00 62.53 H new ATOM 69 N LEU A 17 16.774 13.284 2.307 1.00 40.45 N ANISOU 69 N LEU A 17 5949 4408 5011 70 -1390 585 N ATOM 70 CA LEU A 17 15.455 13.457 2.902 1.00 40.95 C ANISOU 70 CA LEU A 17 6138 4453 4967 -48 -1161 612 C ATOM 71 C LEU A 17 15.587 13.339 4.404 1.00 46.78 C ANISOU 71 C LEU A 17 6998 5601 5174 49 -1165 792 C ATOM 72 O LEU A 17 16.148 12.320 4.869 1.00 48.96 O ANISOU 72 O LEU A 17 7344 5969 5290 313 -1220 1288 O ATOM 73 CB LEU A 17 14.493 12.370 2.427 1.00 40.67 C ANISOU 73 CB LEU A 17 6138 4057 5258 -104 -888 730 C ATOM 74 CG LEU A 17 14.262 12.392 0.940 1.00 38.20 C ANISOU 74 CG LEU A 17 5582 3709 5222 -225 -920 434 C ATOM 75 CD1 LEU A 17 13.487 11.136 0.423 1.00 37.35 C ANISOU 75 CD1 LEU A 17 5307 3347 5536 -358 -608 215 C ATOM 76 CD2 LEU A 17 13.537 13.678 0.575 1.00 39.18 C ANISOU 76 CD2 LEU A 17 5574 4022 5288 -290 -981 344 C ATOM 0 H LEU A 17 16.929 12.489 2.019 1.00 40.45 H new ATOM 0 HA LEU A 17 15.109 14.325 2.640 1.00 40.95 H new ATOM 0 HB2 LEU A 17 14.844 11.502 2.681 1.00 40.67 H new ATOM 0 HB3 LEU A 17 13.643 12.477 2.882 1.00 40.67 H new ATOM 0 HG LEU A 17 15.126 12.363 0.500 1.00 38.20 H new ATOM 0 HD11 LEU A 17 13.367 11.202 -0.537 1.00 37.35 H new ATOM 0 HD12 LEU A 17 13.993 10.335 0.630 1.00 37.35 H new ATOM 0 HD13 LEU A 17 12.620 11.090 0.855 1.00 37.35 H new ATOM 0 HD21 LEU A 17 13.383 13.702 -0.382 1.00 39.18 H new ATOM 0 HD22 LEU A 17 12.686 13.713 1.040 1.00 39.18 H new ATOM 0 HD23 LEU A 17 14.079 14.440 0.834 1.00 39.18 H new ATOM 77 N ALA A 18 15.050 14.341 5.137 1.00 48.16 N ANISOU 77 N ALA A 18 7124 6064 5108 -141 -1052 424 N ATOM 78 CA ALA A 18 15.214 14.413 6.611 1.00 56.25 C ANISOU 78 CA ALA A 18 8158 7855 5360 -122 -1060 395 C ATOM 79 C ALA A 18 14.192 13.521 7.312 1.00 60.20 C ANISOU 79 C ALA A 18 8944 8343 5586 -95 -692 927 C ATOM 80 O ALA A 18 12.975 13.564 7.007 1.00 59.37 O ANISOU 80 O ALA A 18 8908 7720 5928 -308 -328 800 O ATOM 81 CB ALA A 18 15.086 15.868 7.118 1.00 58.19 C ANISOU 81 CB ALA A 18 8095 8431 5582 -446 -940 -491 C ATOM 0 H ALA A 18 14.590 14.985 4.801 1.00 48.16 H new ATOM 0 HA ALA A 18 16.105 14.094 6.824 1.00 56.25 H new ATOM 0 HB1 ALA A 18 15.197 15.886 8.081 1.00 58.19 H new ATOM 0 HB2 ALA A 18 15.770 16.417 6.704 1.00 58.19 H new ATOM 0 HB3 ALA A 18 14.210 16.215 6.887 1.00 58.19 H new ATOM 82 N GLY A 19 14.681 12.700 8.224 1.00 48.03 N ANISOU 82 N GLY A 19 6138 6544 5564 -664 -739 -412 N ATOM 83 CA GLY A 19 13.816 11.871 9.021 1.00 48.43 C ANISOU 83 CA GLY A 19 6274 6700 5424 -678 -769 -423 C ATOM 84 C GLY A 19 13.052 10.880 8.155 1.00 45.45 C ANISOU 84 C GLY A 19 5927 6280 5059 -514 -734 -294 C ATOM 85 O GLY A 19 11.877 10.577 8.460 1.00 46.94 O ANISOU 85 O GLY A 19 6197 6474 5164 -495 -684 -329 O ATOM 0 H GLY A 19 15.519 12.611 8.394 1.00 48.03 H new ATOM 0 HA2 GLY A 19 14.341 11.391 9.680 1.00 48.43 H new ATOM 0 HA3 GLY A 19 13.190 12.428 9.509 1.00 48.43 H new ATOM 86 N TRP A 20 13.690 10.385 7.085 1.00 43.20 N ANISOU 86 N TRP A 20 5572 5961 4880 -399 -754 -160 N ATOM 87 CA TRP A 20 13.061 9.323 6.280 1.00 40.12 C ANISOU 87 CA TRP A 20 5194 5551 4498 -254 -734 -65 C ATOM 88 C TRP A 20 13.000 8.018 7.083 1.00 38.86 C ANISOU 88 C TRP A 20 5047 5490 4227 -270 -834 10 C ATOM 89 O TRP A 20 13.961 7.636 7.777 1.00 38.19 O ANISOU 89 O TRP A 20 4908 5501 4099 -340 -947 78 O ATOM 90 CB TRP A 20 13.790 9.072 4.948 1.00 40.28 C ANISOU 90 CB TRP A 20 5124 5533 4646 -130 -725 35 C ATOM 91 CG TRP A 20 13.250 7.852 4.298 1.00 39.62 C ANISOU 91 CG TRP A 20 5041 5453 4559 -5 -722 95 C ATOM 92 CD1 TRP A 20 13.886 6.645 4.176 1.00 43.22 C ANISOU 92 CD1 TRP A 20 5435 5944 5041 45 -800 188 C ATOM 93 CD2 TRP A 20 11.893 7.640 3.857 1.00 37.64 C ANISOU 93 CD2 TRP A 20 4849 5166 4286 68 -643 51 C ATOM 94 NE1 TRP A 20 13.032 5.721 3.622 1.00 45.13 N ANISOU 94 NE1 TRP A 20 5692 6162 5294 145 -767 185 N ATOM 95 CE2 TRP A 20 11.814 6.308 3.382 1.00 38.29 C ANISOU 95 CE2 TRP A 20 4897 5261 4389 162 -677 103 C ATOM 96 CE3 TRP A 20 10.747 8.453 3.800 1.00 37.14 C ANISOU 96 CE3 TRP A 20 4850 5053 4206 65 -543 -26 C ATOM 97 CZ2 TRP A 20 10.643 5.755 2.892 1.00 34.69 C ANISOU 97 CZ2 TRP A 20 4471 4781 3925 239 -626 67 C ATOM 98 CZ3 TRP A 20 9.577 7.907 3.263 1.00 34.39 C ANISOU 98 CZ3 TRP A 20 4531 4691 3843 152 -493 -37 C ATOM 99 CH2 TRP A 20 9.540 6.566 2.844 1.00 33.81 C ANISOU 99 CH2 TRP A 20 4425 4643 3777 232 -541 1 C ATOM 0 H TRP A 20 14.465 10.641 6.813 1.00 43.20 H new ATOM 0 HA TRP A 20 12.165 9.628 6.067 1.00 40.12 H new ATOM 0 HB2 TRP A 20 13.680 9.836 4.361 1.00 40.28 H new ATOM 0 HB3 TRP A 20 14.742 8.970 5.105 1.00 40.28 H new ATOM 0 HD1 TRP A 20 14.764 6.476 4.430 1.00 43.22 H new ATOM 0 HE1 TRP A 20 13.230 4.902 3.452 1.00 45.13 H new ATOM 0 HE3 TRP A 20 10.767 9.329 4.111 1.00 37.14 H new ATOM 0 HZ2 TRP A 20 10.607 4.870 2.607 1.00 34.69 H new ATOM 0 HZ3 TRP A 20 8.816 8.436 3.182 1.00 34.39 H new ATOM 0 HH2 TRP A 20 8.740 6.217 2.523 1.00 33.81 H new ATOM 100 N ARG A 21 11.850 7.372 7.057 1.00 36.64 N ANISOU 100 N ARG A 21 4823 5190 3906 -212 -794 11 N ATOM 101 CA ARG A 21 11.726 5.990 7.527 1.00 36.70 C ANISOU 101 CA ARG A 21 4817 5254 3872 -190 -868 120 C ATOM 102 C ARG A 21 10.641 5.264 6.734 1.00 35.46 C ANISOU 102 C ARG A 21 4683 5015 3775 -69 -801 123 C ATOM 103 O ARG A 21 9.833 5.941 6.038 1.00 32.81 O ANISOU 103 O ARG A 21 4389 4612 3463 -21 -701 35 O ATOM 104 CB ARG A 21 11.358 5.933 8.976 1.00 38.69 C ANISOU 104 CB ARG A 21 5117 5622 3961 -311 -911 112 C ATOM 105 CG ARG A 21 9.991 6.466 9.314 1.00 39.10 C ANISOU 105 CG ARG A 21 5270 5650 3936 -335 -810 -6 C ATOM 106 CD ARG A 21 9.865 6.324 10.814 1.00 47.68 C ANISOU 106 CD ARG A 21 6381 6899 4835 -460 -865 0 C ATOM 107 NE ARG A 21 8.696 6.995 11.333 1.00 49.49 N ANISOU 107 NE ARG A 21 6701 7129 4971 -508 -764 -139 N ATOM 108 CZ ARG A 21 7.777 6.431 12.110 1.00 54.35 C ANISOU 108 CZ ARG A 21 7356 7820 5472 -526 -748 -104 C ATOM 109 NH1 ARG A 21 7.864 5.162 12.509 1.00 52.54 N ANISOU 109 NH1 ARG A 21 7078 7670 5213 -503 -828 79 N ATOM 110 NH2 ARG A 21 6.753 7.168 12.509 1.00 56.96 N ANISOU 110 NH2 ARG A 21 7765 8141 5733 -567 -640 -248 N ATOM 0 H ARG A 21 11.116 7.714 6.768 1.00 36.64 H new ATOM 0 HA ARG A 21 12.588 5.565 7.400 1.00 36.70 H new ATOM 0 HB2 ARG A 21 11.412 5.011 9.272 1.00 38.69 H new ATOM 0 HB3 ARG A 21 12.018 6.432 9.482 1.00 38.69 H new ATOM 0 HG2 ARG A 21 9.900 7.392 9.042 1.00 39.10 H new ATOM 0 HG3 ARG A 21 9.298 5.966 8.856 1.00 39.10 H new ATOM 0 HD2 ARG A 21 9.824 5.383 11.045 1.00 47.68 H new ATOM 0 HD3 ARG A 21 10.658 6.686 11.239 1.00 47.68 H new ATOM 0 HE ARG A 21 8.586 7.822 11.123 1.00 49.49 H new ATOM 0 HH11 ARG A 21 8.532 4.679 12.264 1.00 52.54 H new ATOM 0 HH12 ARG A 21 7.252 4.826 13.012 1.00 52.54 H new ATOM 0 HH21 ARG A 21 6.694 7.991 12.265 1.00 56.96 H new ATOM 0 HH22 ARG A 21 6.146 6.824 13.012 1.00 56.96 H new ATOM 111 N SER A 22 10.586 3.932 6.858 1.00 34.09 N ANISOU 111 N SER A 22 4468 4845 3639 -23 -853 224 N ATOM 112 CA SER A 22 9.545 3.204 6.150 1.00 33.53 C ANISOU 112 CA SER A 22 4405 4694 3638 78 -795 203 C ATOM 113 C SER A 22 8.167 3.714 6.544 1.00 32.57 C ANISOU 113 C SER A 22 4381 4564 3428 47 -719 121 C ATOM 114 O SER A 22 7.911 4.103 7.708 1.00 30.02 O ANISOU 114 O SER A 22 4113 4310 2980 -56 -727 113 O ATOM 115 CB SER A 22 9.591 1.726 6.400 1.00 35.73 C ANISOU 115 CB SER A 22 4618 4954 4003 115 -851 317 C ATOM 116 OG SER A 22 10.833 1.196 5.930 1.00 39.49 O ANISOU 116 OG SER A 22 4990 5417 4596 160 -906 390 O ATOM 0 H SER A 22 11.122 3.453 7.329 1.00 34.09 H new ATOM 0 HA SER A 22 9.710 3.359 5.207 1.00 33.53 H new ATOM 0 HB2 SER A 22 9.491 1.546 7.348 1.00 35.73 H new ATOM 0 HB3 SER A 22 8.852 1.290 5.949 1.00 35.73 H new ATOM 0 HG SER A 22 10.857 0.369 6.073 1.00 39.49 H new ATOM 117 N ALA A 23 7.267 3.717 5.543 1.00 29.84 N ANISOU 117 N ALA A 23 4047 4149 3142 137 -641 54 N ATOM 118 CA ALA A 23 5.879 4.074 5.804 1.00 30.08 C ANISOU 118 CA ALA A 23 4153 4158 3117 125 -563 -8 C ATOM 119 C ALA A 23 5.146 2.946 6.570 1.00 31.27 C ANISOU 119 C ALA A 23 4309 4308 3261 113 -588 55 C ATOM 120 O ALA A 23 5.576 1.746 6.587 1.00 31.29 O ANISOU 120 O ALA A 23 4239 4296 3351 144 -654 147 O ATOM 121 CB ALA A 23 5.174 4.395 4.450 1.00 27.06 C ANISOU 121 CB ALA A 23 3757 3725 2799 227 -484 -76 C ATOM 0 H ALA A 23 7.444 3.518 4.725 1.00 29.84 H new ATOM 0 HA ALA A 23 5.851 4.861 6.370 1.00 30.08 H new ATOM 0 HB1 ALA A 23 4.249 4.634 4.615 1.00 27.06 H new ATOM 0 HB2 ALA A 23 5.626 5.136 4.017 1.00 27.06 H new ATOM 0 HB3 ALA A 23 5.208 3.615 3.874 1.00 27.06 H new ATOM 122 N GLY A 24 4.037 3.308 7.217 1.00 31.39 N ANISOU 122 N GLY A 24 4396 4332 3198 69 -528 18 N ATOM 123 CA GLY A 24 3.298 2.345 8.062 1.00 33.02 C ANISOU 123 CA GLY A 24 4603 4551 3389 49 -540 99 C ATOM 124 C GLY A 24 2.425 1.356 7.286 1.00 32.53 C ANISOU 124 C GLY A 24 4497 4392 3470 142 -518 102 C ATOM 125 O GLY A 24 2.171 1.520 6.074 1.00 29.40 O ANISOU 125 O GLY A 24 4081 3941 3147 221 -483 16 O ATOM 0 H GLY A 24 3.693 4.096 7.185 1.00 31.39 H new ATOM 0 HA2 GLY A 24 3.935 1.846 8.596 1.00 33.02 H new ATOM 0 HA3 GLY A 24 2.736 2.839 8.679 1.00 33.02 H new ATOM 126 N LYS A 25 1.946 0.344 8.019 1.00 32.75 N ANISOU 126 N LYS A 25 4497 4413 3532 127 -537 205 N ATOM 127 CA LYS A 25 1.083 -0.693 7.491 1.00 33.13 C ANISOU 127 CA LYS A 25 4489 4358 3740 196 -518 210 C ATOM 128 C LYS A 25 -0.339 -0.117 7.343 1.00 32.91 C ANISOU 128 C LYS A 25 4524 4310 3668 203 -427 121 C ATOM 129 O LYS A 25 -0.672 0.898 7.947 1.00 33.05 O ANISOU 129 O LYS A 25 4625 4391 3542 146 -375 89 O ATOM 130 CB LYS A 25 1.068 -1.941 8.441 1.00 34.28 C ANISOU 130 CB LYS A 25 4566 4492 3967 172 -561 387 C ATOM 0 H LYS A 25 2.124 0.248 8.855 1.00 32.75 H new ATOM 0 HA LYS A 25 1.415 -0.983 6.627 1.00 33.13 H new ATOM 131 N ALA A 26 -1.200 -0.797 6.594 1.00 33.37 N ANISOU 131 N ALA A 26 4532 4283 3863 268 -405 76 N ATOM 132 CA ALA A 26 -2.583 -0.266 6.351 1.00 33.48 C ANISOU 132 CA ALA A 26 4588 4282 3851 281 -322 1 C ATOM 133 C ALA A 26 -3.376 -0.387 7.620 1.00 34.14 C ANISOU 133 C ALA A 26 4711 4384 3877 219 -281 91 C ATOM 134 O ALA A 26 -3.165 -1.358 8.371 1.00 32.45 O ANISOU 134 O ALA A 26 4448 4163 3715 194 -323 221 O ATOM 135 CB ALA A 26 -3.263 -1.035 5.231 1.00 33.42 C ANISOU 135 CB ALA A 26 4498 4199 4001 357 -323 -75 C ATOM 0 H ALA A 26 -1.029 -1.551 6.217 1.00 33.37 H new ATOM 0 HA ALA A 26 -2.529 0.665 6.084 1.00 33.48 H new ATOM 0 HB1 ALA A 26 -4.154 -0.679 5.088 1.00 33.42 H new ATOM 0 HB2 ALA A 26 -2.745 -0.946 4.416 1.00 33.42 H new ATOM 0 HB3 ALA A 26 -3.325 -1.972 5.473 1.00 33.42 H new ATOM 136 N PRO A 27 -4.254 0.583 7.916 1.00 34.51 N ANISOU 136 N PRO A 27 4831 4460 3821 194 -194 41 N ATOM 137 CA PRO A 27 -4.933 0.470 9.192 1.00 35.31 C ANISOU 137 CA PRO A 27 4965 4604 3845 132 -148 124 C ATOM 138 C PRO A 27 -5.730 -0.785 9.242 1.00 36.37 C ANISOU 138 C PRO A 27 5022 4664 4132 160 -154 212 C ATOM 139 O PRO A 27 -6.367 -1.193 8.231 1.00 34.74 O ANISOU 139 O PRO A 27 4760 4363 4075 224 -150 146 O ATOM 140 CB PRO A 27 -5.937 1.648 9.212 1.00 36.46 C ANISOU 140 CB PRO A 27 5181 4754 3915 124 -33 27 C ATOM 141 CG PRO A 27 -5.652 2.441 8.072 1.00 35.24 C ANISOU 141 CG PRO A 27 5028 4568 3791 174 -27 -76 C ATOM 142 CD PRO A 27 -4.542 1.870 7.259 1.00 34.58 C ANISOU 142 CD PRO A 27 4886 4473 3776 215 -127 -71 C ATOM 0 HA PRO A 27 -4.301 0.474 9.928 1.00 35.31 H new ATOM 0 HB2 PRO A 27 -6.851 1.323 9.187 1.00 36.46 H new ATOM 0 HB3 PRO A 27 -5.843 2.167 10.026 1.00 36.46 H new ATOM 0 HG2 PRO A 27 -6.449 2.516 7.523 1.00 35.24 H new ATOM 0 HG3 PRO A 27 -5.417 3.339 8.354 1.00 35.24 H new ATOM 0 HD2 PRO A 27 -4.805 1.747 6.334 1.00 34.58 H new ATOM 0 HD3 PRO A 27 -3.765 2.451 7.258 1.00 34.58 H new ATOM 143 N GLU A 28 -5.727 -1.365 10.435 1.00 37.01 N ANISOU 143 N GLU A 28 5089 4801 4173 108 -160 362 N ATOM 144 CA GLU A 28 -6.502 -2.572 10.739 1.00 38.94 C ANISOU 144 CA GLU A 28 5246 4971 4575 122 -153 491 C ATOM 145 C GLU A 28 -7.843 -2.210 11.445 1.00 39.09 C ANISOU 145 C GLU A 28 5307 5027 4519 95 -46 511 C ATOM 146 O GLU A 28 -8.664 -3.063 11.707 1.00 43.67 O ANISOU 146 O GLU A 28 5816 5546 5229 105 -21 615 O ATOM 147 CB GLU A 28 -5.632 -3.485 11.614 1.00 39.20 C ANISOU 147 CB GLU A 28 5209 5054 4629 90 -222 693 C ATOM 0 H GLU A 28 -5.271 -1.069 11.102 1.00 37.01 H new ATOM 0 HA GLU A 28 -6.738 -3.035 9.920 1.00 38.94 H new ATOM 148 N ALA A 29 -8.061 -0.944 11.775 1.00 39.07 N ANISOU 148 N ALA A 29 5406 5113 4323 59 26 413 N ATOM 149 CA ALA A 29 -9.350 -0.479 12.345 1.00 38.72 C ANISOU 149 CA ALA A 29 5400 5093 4216 40 146 403 C ATOM 150 C ALA A 29 -9.991 0.433 11.347 1.00 36.92 C ANISOU 150 C ALA A 29 5206 4786 4033 87 206 240 C ATOM 151 O ALA A 29 -9.311 0.872 10.419 1.00 35.03 O ANISOU 151 O ALA A 29 4977 4517 3816 119 159 143 O ATOM 152 CB ALA A 29 -9.123 0.270 13.684 1.00 40.36 C ANISOU 152 CB ALA A 29 5685 5483 4167 -45 202 414 C ATOM 0 H ALA A 29 -7.476 -0.321 11.680 1.00 39.07 H new ATOM 0 HA ALA A 29 -9.923 -1.240 12.528 1.00 38.72 H new ATOM 0 HB1 ALA A 29 -9.976 0.565 14.039 1.00 40.36 H new ATOM 0 HB2 ALA A 29 -8.697 -0.326 14.320 1.00 40.36 H new ATOM 0 HB3 ALA A 29 -8.553 1.040 13.532 1.00 40.36 H new ATOM 153 N ALA A 30 -11.267 0.745 11.546 1.00 37.33 N ANISOU 153 N ALA A 30 5266 4816 4098 94 313 227 N ATOM 154 CA ALA A 30 -12.021 1.599 10.618 1.00 37.80 C ANISOU 154 CA ALA A 30 5336 4805 4220 144 378 108 C ATOM 155 C ALA A 30 -11.449 2.984 10.531 1.00 37.56 C ANISOU 155 C ALA A 30 5383 4810 4076 127 423 -10 C ATOM 156 O ALA A 30 -11.012 3.518 11.546 1.00 38.89 O ANISOU 156 O ALA A 30 5617 5069 4090 57 463 -32 O ATOM 157 CB ALA A 30 -13.469 1.689 10.975 1.00 39.35 C ANISOU 157 CB ALA A 30 5517 4974 4457 150 492 135 C ATOM 0 H ALA A 30 -11.724 0.470 12.221 1.00 37.33 H new ATOM 0 HA ALA A 30 -11.941 1.171 9.751 1.00 37.80 H new ATOM 0 HB1 ALA A 30 -13.925 2.261 10.338 1.00 39.35 H new ATOM 0 HB2 ALA A 30 -13.863 0.803 10.954 1.00 39.35 H new ATOM 0 HB3 ALA A 30 -13.560 2.062 11.866 1.00 39.35 H new ATOM 158 N ILE A 31 -11.508 3.556 9.332 1.00 36.51 N ANISOU 158 N ILE A 31 5228 4615 4027 187 421 -84 N ATOM 159 CA ILE A 31 -11.064 4.914 9.052 1.00 36.56 C ANISOU 159 CA ILE A 31 5280 4621 3988 185 475 -180 C ATOM 160 C ILE A 31 -12.322 5.776 8.984 1.00 37.63 C ANISOU 160 C ILE A 31 5411 4703 4182 211 617 -210 C ATOM 161 O ILE A 31 -13.145 5.602 8.102 1.00 36.64 O ANISOU 161 O ILE A 31 5215 4532 4171 278 620 -182 O ATOM 162 CB ILE A 31 -10.264 5.014 7.733 1.00 35.38 C ANISOU 162 CB ILE A 31 5087 4455 3899 244 389 -205 C ATOM 163 CG1 ILE A 31 -9.063 4.072 7.748 1.00 37.64 C ANISOU 163 CG1 ILE A 31 5362 4779 4158 228 256 -172 C ATOM 164 CG2 ILE A 31 -9.829 6.458 7.499 1.00 34.31 C ANISOU 164 CG2 ILE A 31 4983 4306 3747 241 459 -275 C ATOM 165 CD1 ILE A 31 -8.508 3.639 6.349 1.00 30.32 C ANISOU 165 CD1 ILE A 31 4362 3841 3315 300 162 -188 C ATOM 0 H ILE A 31 -11.817 3.151 8.639 1.00 36.51 H new ATOM 0 HA ILE A 31 -10.460 5.214 9.749 1.00 36.56 H new ATOM 0 HB ILE A 31 -10.837 4.741 6.999 1.00 35.38 H new ATOM 0 HG12 ILE A 31 -8.346 4.500 8.242 1.00 37.64 H new ATOM 0 HG13 ILE A 31 -9.308 3.273 8.240 1.00 37.64 H new ATOM 0 HG21 ILE A 31 -9.328 6.515 6.671 1.00 34.31 H new ATOM 0 HG22 ILE A 31 -10.613 7.027 7.442 1.00 34.31 H new ATOM 0 HG23 ILE A 31 -9.270 6.751 8.235 1.00 34.31 H new ATOM 0 HD11 ILE A 31 -7.751 3.045 6.471 1.00 30.32 H new ATOM 0 HD12 ILE A 31 -9.203 3.179 5.853 1.00 30.32 H new ATOM 0 HD13 ILE A 31 -8.226 4.425 5.855 1.00 30.32 H new ATOM 166 N ARG A 32 -12.493 6.680 9.960 1.00 39.51 N ANISOU 166 N ARG A 32 5713 4956 4343 155 738 -275 N ATOM 167 CA ARG A 32 -13.770 7.371 10.139 1.00 40.93 C ANISOU 167 CA ARG A 32 5883 5078 4591 174 892 -296 C ATOM 168 C ARG A 32 -13.677 8.766 9.526 1.00 41.39 C ANISOU 168 C ARG A 32 5931 5057 4737 203 980 -370 C ATOM 169 O ARG A 32 -12.704 9.510 9.773 1.00 42.67 O ANISOU 169 O ARG A 32 6137 5224 4851 157 988 -458 O ATOM 170 CB ARG A 32 -14.178 7.405 11.648 1.00 43.29 C ANISOU 170 CB ARG A 32 6240 5445 4762 96 994 -327 C ATOM 0 H ARG A 32 -11.883 6.903 10.524 1.00 39.51 H new ATOM 0 HA ARG A 32 -14.473 6.887 9.678 1.00 40.93 H new ATOM 171 N GLY A 33 -14.653 9.117 8.690 1.00 39.17 N ANISOU 171 N GLY A 33 5575 4703 4602 280 1040 -321 N ATOM 172 CA GLY A 33 -14.758 10.469 8.215 1.00 38.90 C ANISOU 172 CA GLY A 33 5508 4581 4688 314 1153 -353 C ATOM 173 C GLY A 33 -16.008 11.139 8.733 1.00 39.45 C ANISOU 173 C GLY A 33 5561 4574 4852 322 1335 -371 C ATOM 174 O GLY A 33 -16.604 10.719 9.752 1.00 40.50 O ANISOU 174 O GLY A 33 5737 4739 4911 277 1392 -398 O ATOM 0 H GLY A 33 -15.257 8.581 8.394 1.00 39.17 H new ATOM 0 HA2 GLY A 33 -13.979 10.974 8.495 1.00 38.90 H new ATOM 0 HA3 GLY A 33 -14.765 10.473 7.245 1.00 38.90 H new ATOM 175 N GLU A 34 -16.398 12.196 8.045 1.00 39.12 N ANISOU 175 N GLU A 34 5445 4434 4982 381 1435 -343 N ATOM 176 CA GLU A 34 -17.596 12.942 8.415 1.00 42.06 C ANISOU 176 CA GLU A 34 5778 4708 5492 402 1625 -351 C ATOM 177 C GLU A 34 -18.856 12.195 7.965 1.00 41.14 C ANISOU 177 C GLU A 34 5584 4616 5429 465 1604 -219 C ATOM 178 O GLU A 34 -19.780 12.036 8.772 1.00 43.36 O ANISOU 178 O GLU A 34 5879 4882 5713 446 1706 -236 O ATOM 179 CB GLU A 34 -17.521 14.375 7.865 1.00 42.87 C ANISOU 179 CB GLU A 34 5809 4677 5802 445 1751 -348 C ATOM 0 H GLU A 34 -15.984 12.503 7.356 1.00 39.12 H new ATOM 0 HA GLU A 34 -17.647 13.013 9.381 1.00 42.06 H new ATOM 180 N ALA A 35 -18.910 11.704 6.721 1.00 39.53 N ANISOU 180 N ALA A 35 5292 4466 5259 534 1473 -97 N ATOM 181 CA ALA A 35 -20.160 11.061 6.215 1.00 38.66 C ANISOU 181 CA ALA A 35 5085 4385 5218 588 1450 15 C ATOM 182 C ALA A 35 -19.944 9.584 5.922 1.00 38.07 C ANISOU 182 C ALA A 35 5013 4416 5035 574 1264 30 C ATOM 183 O ALA A 35 -20.871 8.850 5.645 1.00 37.78 O ANISOU 183 O ALA A 35 4903 4405 5044 597 1225 91 O ATOM 184 CB ALA A 35 -20.676 11.746 4.976 1.00 39.71 C ANISOU 184 CB ALA A 35 5074 4511 5502 681 1470 143 C ATOM 0 H ALA A 35 -18.259 11.726 6.159 1.00 39.53 H new ATOM 0 HA ALA A 35 -20.822 11.150 6.918 1.00 38.66 H new ATOM 0 HB1 ALA A 35 -21.486 11.304 4.675 1.00 39.71 H new ATOM 0 HB2 ALA A 35 -20.870 12.675 5.177 1.00 39.71 H new ATOM 0 HB3 ALA A 35 -20.005 11.700 4.277 1.00 39.71 H new ATOM 185 N VAL A 36 -18.694 9.148 5.942 1.00 36.95 N ANISOU 185 N VAL A 36 4941 4325 4772 537 1148 -28 N ATOM 186 CA VAL A 36 -18.355 7.775 5.565 1.00 36.08 C ANISOU 186 CA VAL A 36 4817 4293 4596 529 975 -22 C ATOM 187 C VAL A 36 -17.445 7.207 6.602 1.00 36.22 C ANISOU 187 C VAL A 36 4946 4324 4490 452 934 -83 C ATOM 188 O VAL A 36 -16.671 7.927 7.268 1.00 36.40 O ANISOU 188 O VAL A 36 5054 4336 4440 407 989 -147 O ATOM 189 CB VAL A 36 -17.580 7.770 4.215 1.00 35.56 C ANISOU 189 CB VAL A 36 4688 4303 4519 580 853 -11 C ATOM 190 CG1 VAL A 36 -16.779 6.526 4.078 1.00 36.05 C ANISOU 190 CG1 VAL A 36 4768 4420 4506 555 697 -55 C ATOM 191 CG2 VAL A 36 -18.548 7.965 3.052 1.00 36.60 C ANISOU 191 CG2 VAL A 36 4676 4484 4744 657 848 73 C ATOM 0 H VAL A 36 -18.020 9.631 6.172 1.00 36.95 H new ATOM 0 HA VAL A 36 -19.172 7.258 5.485 1.00 36.08 H new ATOM 0 HB VAL A 36 -16.956 8.513 4.202 1.00 35.56 H new ATOM 0 HG11 VAL A 36 -16.303 6.539 3.233 1.00 36.05 H new ATOM 0 HG12 VAL A 36 -16.141 6.470 4.807 1.00 36.05 H new ATOM 0 HG13 VAL A 36 -17.369 5.756 4.105 1.00 36.05 H new ATOM 0 HG21 VAL A 36 -18.055 7.960 2.216 1.00 36.60 H new ATOM 0 HG22 VAL A 36 -19.198 7.245 3.048 1.00 36.60 H new ATOM 0 HG23 VAL A 36 -19.007 8.814 3.152 1.00 36.60 H new ATOM 192 N SER A 37 -17.498 5.897 6.707 1.00 35.28 N ANISOU 192 N SER A 37 4811 4235 4359 435 832 -60 N ATOM 193 CA SER A 37 -16.461 5.161 7.386 1.00 35.16 C ANISOU 193 CA SER A 37 4865 4251 4241 377 750 -78 C ATOM 194 C SER A 37 -16.029 4.034 6.436 1.00 31.76 C ANISOU 194 C SER A 37 4363 3843 3859 406 591 -73 C ATOM 195 O SER A 37 -16.866 3.409 5.738 1.00 31.91 O ANISOU 195 O SER A 37 4285 3854 3985 442 552 -56 O ATOM 196 CB SER A 37 -17.002 4.619 8.715 1.00 37.18 C ANISOU 196 CB SER A 37 5157 4509 4458 321 813 -35 C ATOM 197 OG SER A 37 -17.188 3.224 8.628 1.00 42.47 O ANISOU 197 OG SER A 37 5765 5172 5197 320 715 30 O ATOM 0 H SER A 37 -18.133 5.412 6.389 1.00 35.28 H new ATOM 0 HA SER A 37 -15.697 5.718 7.602 1.00 35.16 H new ATOM 0 HB2 SER A 37 -16.383 4.826 9.433 1.00 37.18 H new ATOM 0 HB3 SER A 37 -17.843 5.052 8.931 1.00 37.18 H new ATOM 0 HG SER A 37 -18.000 3.057 8.491 1.00 42.47 H new ATOM 198 N LEU A 38 -14.741 3.767 6.451 1.00 31.45 N ANISOU 198 N LEU A 38 4333 4022 3593 270 131 53 N ATOM 199 CA LEU A 38 -14.116 2.665 5.678 1.00 30.48 C ANISOU 199 CA LEU A 38 4107 3960 3514 185 106 127 C ATOM 200 C LEU A 38 -13.774 1.541 6.668 1.00 29.79 C ANISOU 200 C LEU A 38 3983 3944 3391 131 147 154 C ATOM 201 O LEU A 38 -12.967 1.749 7.619 1.00 28.69 O ANISOU 201 O LEU A 38 3933 3794 3174 73 126 154 O ATOM 202 CB LEU A 38 -12.832 3.175 5.070 1.00 30.38 C ANISOU 202 CB LEU A 38 4158 3905 3479 91 15 159 C ATOM 203 CG LEU A 38 -12.903 3.842 3.701 1.00 34.00 C ANISOU 203 CG LEU A 38 4625 4319 3975 83 -48 176 C ATOM 204 CD1 LEU A 38 -14.285 4.227 3.179 1.00 30.45 C ANISOU 204 CD1 LEU A 38 4150 3831 3588 199 -37 153 C ATOM 205 CD2 LEU A 38 -11.868 4.937 3.521 1.00 30.26 C ANISOU 205 CD2 LEU A 38 4283 3777 3436 -12 -140 191 C ATOM 0 H LEU A 38 -14.177 4.220 6.915 1.00 31.45 H new ATOM 0 HA LEU A 38 -14.712 2.346 4.982 1.00 30.48 H new ATOM 0 HB2 LEU A 38 -12.442 3.811 5.690 1.00 30.38 H new ATOM 0 HB3 LEU A 38 -12.217 2.428 5.005 1.00 30.38 H new ATOM 0 HG LEU A 38 -12.663 3.114 3.107 1.00 34.00 H new ATOM 0 HD11 LEU A 38 -14.198 4.640 2.306 1.00 30.45 H new ATOM 0 HD12 LEU A 38 -14.837 3.433 3.107 1.00 30.45 H new ATOM 0 HD13 LEU A 38 -14.700 4.854 3.792 1.00 30.45 H new ATOM 0 HD21 LEU A 38 -11.958 5.325 2.637 1.00 30.26 H new ATOM 0 HD22 LEU A 38 -12.004 5.625 4.191 1.00 30.26 H new ATOM 0 HD23 LEU A 38 -10.979 4.562 3.620 1.00 30.26 H new ATOM 206 N GLN A 39 -14.465 0.426 6.519 1.00 27.90 N ANISOU 206 N GLN A 39 3630 3770 3199 142 194 178 N ATOM 207 CA GLN A 39 -14.279 -0.658 7.424 1.00 29.87 C ANISOU 207 CA GLN A 39 3860 4070 3417 85 214 216 C ATOM 208 C GLN A 39 -13.375 -1.673 6.801 1.00 28.09 C ANISOU 208 C GLN A 39 3578 3844 3250 32 151 268 C ATOM 209 O GLN A 39 -13.604 -2.070 5.661 1.00 29.33 O ANISOU 209 O GLN A 39 3656 4005 3482 49 143 272 O ATOM 210 CB GLN A 39 -15.627 -1.346 7.765 1.00 30.00 C ANISOU 210 CB GLN A 39 3798 4162 3439 108 298 216 C ATOM 211 CG GLN A 39 -16.670 -0.427 8.337 1.00 36.17 C ANISOU 211 CG GLN A 39 4594 4974 4172 186 379 141 C ATOM 212 CD GLN A 39 -16.507 -0.116 9.811 1.00 43.50 C ANISOU 212 CD GLN A 39 5620 5928 4977 152 423 108 C ATOM 213 OE1 GLN A 39 -15.850 -0.858 10.556 1.00 52.13 O ANISOU 213 OE1 GLN A 39 6752 7040 6013 50 398 165 O ATOM 214 NE2 GLN A 39 -17.150 0.997 10.272 1.00 48.22 N ANISOU 214 NE2 GLN A 39 6263 6527 5529 242 484 8 N ATOM 0 H GLN A 39 -15.043 0.288 5.898 1.00 27.90 H new ATOM 0 HA GLN A 39 -13.892 -0.304 8.240 1.00 29.87 H new ATOM 0 HB2 GLN A 39 -15.980 -1.756 6.960 1.00 30.00 H new ATOM 0 HB3 GLN A 39 -15.461 -2.062 8.398 1.00 30.00 H new ATOM 0 HG2 GLN A 39 -16.656 0.406 7.841 1.00 36.17 H new ATOM 0 HG3 GLN A 39 -17.544 -0.825 8.198 1.00 36.17 H new ATOM 0 HE21 GLN A 39 -17.598 1.491 9.729 1.00 48.22 H new ATOM 0 HE22 GLN A 39 -17.107 1.204 11.106 1.00 48.22 H new ATOM 215 N PRO A 40 -12.419 -2.178 7.559 1.00 28.58 N ANISOU 215 N PRO A 40 3673 3905 3280 -26 105 305 N ATOM 216 CA PRO A 40 -11.583 -3.234 7.039 1.00 28.38 C ANISOU 216 CA PRO A 40 3580 3876 3324 -49 42 340 C ATOM 217 C PRO A 40 -12.374 -4.376 6.508 1.00 27.56 C ANISOU 217 C PRO A 40 3400 3779 3292 -32 62 357 C ATOM 218 O PRO A 40 -13.258 -4.914 7.204 1.00 23.44 O ANISOU 218 O PRO A 40 2886 3275 2743 -52 99 385 O ATOM 219 CB PRO A 40 -10.742 -3.631 8.222 1.00 29.19 C ANISOU 219 CB PRO A 40 3736 3975 3378 -102 -14 385 C ATOM 220 CG PRO A 40 -10.735 -2.382 9.127 1.00 31.17 C ANISOU 220 CG PRO A 40 4099 4227 3517 -127 8 360 C ATOM 221 CD PRO A 40 -12.024 -1.757 8.926 1.00 30.78 C ANISOU 221 CD PRO A 40 4056 4184 3455 -71 99 309 C ATOM 0 HA PRO A 40 -11.052 -2.945 6.280 1.00 28.38 H new ATOM 0 HB2 PRO A 40 -11.118 -4.398 8.681 1.00 29.19 H new ATOM 0 HB3 PRO A 40 -9.843 -3.876 7.951 1.00 29.19 H new ATOM 0 HG2 PRO A 40 -10.605 -2.625 10.057 1.00 31.17 H new ATOM 0 HG3 PRO A 40 -10.013 -1.780 8.887 1.00 31.17 H new ATOM 0 HD2 PRO A 40 -12.669 -2.052 9.588 1.00 30.78 H new ATOM 0 HD3 PRO A 40 -11.965 -0.791 8.997 1.00 30.78 H new ATOM 222 N LEU A 41 -12.037 -4.827 5.306 1.00 27.04 N ANISOU 222 N LEU A 41 3262 3705 3304 -14 35 339 N ATOM 223 CA LEU A 41 -12.912 -5.729 4.655 1.00 28.39 C ANISOU 223 CA LEU A 41 3375 3876 3534 -5 55 343 C ATOM 224 C LEU A 41 -12.696 -7.087 5.322 1.00 30.65 C ANISOU 224 C LEU A 41 3673 4125 3847 -34 3 392 C ATOM 225 O LEU A 41 -11.586 -7.495 5.617 1.00 30.15 O ANISOU 225 O LEU A 41 3620 4030 3806 -31 -68 402 O ATOM 226 CB LEU A 41 -12.675 -5.738 3.110 1.00 28.90 C ANISOU 226 CB LEU A 41 3373 3947 3657 13 45 298 C ATOM 227 CG LEU A 41 -13.711 -6.552 2.333 1.00 30.21 C ANISOU 227 CG LEU A 41 3489 4113 3873 11 64 298 C ATOM 228 CD1 LEU A 41 -14.060 -5.908 0.966 1.00 31.86 C ANISOU 228 CD1 LEU A 41 3659 4354 4092 16 81 262 C ATOM 229 CD2 LEU A 41 -13.103 -7.843 2.179 1.00 32.15 C ANISOU 229 CD2 LEU A 41 3720 4316 4178 8 12 292 C ATOM 0 H LEU A 41 -11.322 -4.619 4.875 1.00 27.04 H new ATOM 0 HA LEU A 41 -13.841 -5.467 4.749 1.00 28.39 H new ATOM 0 HB2 LEU A 41 -12.683 -4.824 2.784 1.00 28.90 H new ATOM 0 HB3 LEU A 41 -11.792 -6.096 2.928 1.00 28.90 H new ATOM 0 HG LEU A 41 -14.560 -6.598 2.799 1.00 30.21 H new ATOM 0 HD11 LEU A 41 -14.718 -6.455 0.509 1.00 31.86 H new ATOM 0 HD12 LEU A 41 -14.422 -5.020 1.110 1.00 31.86 H new ATOM 0 HD13 LEU A 41 -13.258 -5.846 0.423 1.00 31.86 H new ATOM 0 HD21 LEU A 41 -13.703 -8.427 1.690 1.00 32.15 H new ATOM 0 HD22 LEU A 41 -12.270 -7.753 1.690 1.00 32.15 H new ATOM 0 HD23 LEU A 41 -12.924 -8.223 3.053 1.00 32.15 H new ATOM 230 N ASP A 42 -13.776 -7.797 5.503 1.00 30.34 N ANISOU 230 N ASP A 42 3629 4088 3810 -66 28 427 N ATOM 231 CA ASP A 42 -13.743 -9.125 6.091 1.00 34.12 C ANISOU 231 CA ASP A 42 4142 4513 4308 -115 -36 488 C ATOM 232 C ASP A 42 -14.331 -10.046 5.003 1.00 33.48 C ANISOU 232 C ASP A 42 4015 4400 4304 -116 -47 474 C ATOM 233 O ASP A 42 -15.482 -10.177 4.898 1.00 35.38 O ANISOU 233 O ASP A 42 4235 4682 4526 -160 0 494 O ATOM 234 CB ASP A 42 -14.535 -9.083 7.386 1.00 33.83 C ANISOU 234 CB ASP A 42 4157 4524 4170 -192 3 549 C ATOM 235 CG ASP A 42 -14.563 -10.399 8.113 1.00 37.31 C ANISOU 235 CG ASP A 42 4659 4908 4608 -278 -76 637 C ATOM 236 OD1 ASP A 42 -14.290 -11.455 7.522 1.00 37.53 O ANISOU 236 OD1 ASP A 42 4688 4845 4727 -269 -159 648 O ATOM 237 OD2 ASP A 42 -14.955 -10.373 9.256 1.00 40.21 O ANISOU 237 OD2 ASP A 42 5079 5323 4874 -362 -55 693 O ATOM 0 H ASP A 42 -14.564 -7.528 5.289 1.00 30.34 H new ATOM 0 HA ASP A 42 -12.863 -9.452 6.336 1.00 34.12 H new ATOM 0 HB2 ASP A 42 -14.154 -8.408 7.969 1.00 33.83 H new ATOM 0 HB3 ASP A 42 -15.445 -8.809 7.192 1.00 33.83 H new ATOM 238 N ALA A 43 -13.483 -10.551 4.127 1.00 36.67 N ANISOU 238 N ALA A 43 4394 4746 4790 -65 -103 425 N ATOM 239 CA ALA A 43 -13.925 -11.115 2.813 1.00 36.44 C ANISOU 239 CA ALA A 43 4321 4700 4823 -57 -99 376 C ATOM 240 C ALA A 43 -15.117 -12.063 2.964 1.00 37.10 C ANISOU 240 C ALA A 43 4432 4757 4905 -138 -109 435 C ATOM 241 O ALA A 43 -16.158 -11.882 2.308 1.00 35.77 O ANISOU 241 O ALA A 43 4218 4646 4725 -171 -57 430 O ATOM 242 CB ALA A 43 -12.733 -11.810 2.063 1.00 37.09 C ANISOU 242 CB ALA A 43 4384 4717 4991 11 -167 300 C ATOM 0 H ALA A 43 -12.633 -10.587 4.255 1.00 36.67 H new ATOM 0 HA ALA A 43 -14.225 -10.369 2.270 1.00 36.44 H new ATOM 0 HB1 ALA A 43 -13.046 -12.166 1.217 1.00 37.09 H new ATOM 0 HB2 ALA A 43 -12.031 -11.161 1.900 1.00 37.09 H new ATOM 0 HB3 ALA A 43 -12.385 -12.533 2.608 1.00 37.09 H new ATOM 243 N PRO A 44 -15.004 -13.022 3.871 1.00 39.04 N ANISOU 243 N PRO A 44 4754 4924 5155 -186 -186 503 N ATOM 244 CA PRO A 44 -16.137 -13.939 4.058 1.00 40.75 C ANISOU 244 CA PRO A 44 5007 5121 5354 -299 -204 574 C ATOM 245 C PRO A 44 -17.386 -13.361 4.778 1.00 41.44 C ANISOU 245 C PRO A 44 5061 5344 5337 -391 -109 636 C ATOM 246 O PRO A 44 -18.483 -13.971 4.657 1.00 42.53 O ANISOU 246 O PRO A 44 5188 5513 5456 -495 -103 683 O ATOM 247 CB PRO A 44 -15.528 -15.105 4.858 1.00 42.24 C ANISOU 247 CB PRO A 44 5306 5169 5573 -332 -338 640 C ATOM 248 CG PRO A 44 -14.093 -14.785 5.074 1.00 42.65 C ANISOU 248 CG PRO A 44 5357 5179 5667 -219 -385 597 C ATOM 249 CD PRO A 44 -13.874 -13.342 4.758 1.00 40.83 C ANISOU 249 CD PRO A 44 5040 5076 5398 -157 -274 532 C ATOM 0 HA PRO A 44 -16.503 -14.180 3.193 1.00 40.75 H new ATOM 0 HB2 PRO A 44 -15.986 -15.215 5.706 1.00 42.24 H new ATOM 0 HB3 PRO A 44 -15.624 -15.940 4.374 1.00 42.24 H new ATOM 0 HG2 PRO A 44 -13.841 -14.971 5.992 1.00 42.65 H new ATOM 0 HG3 PRO A 44 -13.535 -15.342 4.509 1.00 42.65 H new ATOM 0 HD2 PRO A 44 -13.879 -12.794 5.558 1.00 40.83 H new ATOM 0 HD3 PRO A 44 -13.021 -13.196 4.320 1.00 40.83 H new ATOM 250 N ARG A 45 -17.230 -12.289 5.561 1.00 39.29 N ANISOU 250 N ARG A 45 4776 5156 4995 -362 -42 633 N ATOM 251 CA ARG A 45 -18.426 -11.667 6.221 1.00 40.45 C ANISOU 251 CA ARG A 45 4874 5450 5045 -422 64 659 C ATOM 252 C ARG A 45 -19.155 -10.668 5.280 1.00 38.15 C ANISOU 252 C ARG A 45 4471 5250 4773 -347 152 590 C ATOM 253 O ARG A 45 -20.378 -10.698 5.163 1.00 39.14 O ANISOU 253 O ARG A 45 4519 5476 4874 -396 208 606 O ATOM 254 CB ARG A 45 -18.063 -10.892 7.466 1.00 40.92 C ANISOU 254 CB ARG A 45 4975 5560 5010 -418 105 666 C ATOM 255 CG ARG A 45 -19.246 -9.948 7.921 1.00 45.78 C ANISOU 255 CG ARG A 45 5514 6342 5537 -424 241 638 C ATOM 256 CD ARG A 45 -19.071 -9.389 9.344 1.00 52.50 C ANISOU 256 CD ARG A 45 6426 7257 6264 -458 290 644 C ATOM 257 NE ARG A 45 -19.553 -7.990 9.383 1.00 56.76 N ANISOU 257 NE ARG A 45 6905 7891 6769 -356 402 550 N ATOM 258 CZ ARG A 45 -18.786 -6.909 9.542 1.00 60.67 C ANISOU 258 CZ ARG A 45 7452 8344 7253 -264 406 487 C ATOM 259 NH1 ARG A 45 -17.460 -7.030 9.706 1.00 61.01 N ANISOU 259 NH1 ARG A 45 7588 8280 7310 -267 313 511 N ATOM 260 NH2 ARG A 45 -19.348 -5.692 9.539 1.00 62.38 N ANISOU 260 NH2 ARG A 45 7627 8625 7448 -167 495 398 N ATOM 0 H ARG A 45 -16.478 -11.907 5.729 1.00 39.29 H new ATOM 0 HA ARG A 45 -19.000 -12.416 6.445 1.00 40.45 H new ATOM 0 HB2 ARG A 45 -17.846 -11.509 8.182 1.00 40.92 H new ATOM 0 HB3 ARG A 45 -17.269 -10.361 7.299 1.00 40.92 H new ATOM 0 HG2 ARG A 45 -19.319 -9.209 7.297 1.00 45.78 H new ATOM 0 HG3 ARG A 45 -20.080 -10.441 7.875 1.00 45.78 H new ATOM 0 HD2 ARG A 45 -19.566 -9.930 9.979 1.00 52.50 H new ATOM 0 HD3 ARG A 45 -18.138 -9.428 9.605 1.00 52.50 H new ATOM 0 HE ARG A 45 -20.399 -7.863 9.296 1.00 56.76 H new ATOM 0 HH11 ARG A 45 -17.096 -7.809 9.709 1.00 61.01 H new ATOM 0 HH12 ARG A 45 -16.973 -6.328 9.808 1.00 61.01 H new ATOM 0 HH21 ARG A 45 -20.198 -5.611 9.435 1.00 62.38 H new ATOM 0 HH22 ARG A 45 -18.859 -4.992 9.641 1.00 62.38 H new ATOM 261 N HIS A 46 -18.395 -9.737 4.702 1.00 35.91 N ANISOU 261 N HIS A 46 4179 4939 4523 -237 156 521 N ATOM 262 CA HIS A 46 -18.912 -8.623 3.886 1.00 33.48 C ANISOU 262 CA HIS A 46 3795 4693 4230 -160 213 464 C ATOM 263 C HIS A 46 -19.231 -9.094 2.471 1.00 31.98 C ANISOU 263 C HIS A 46 3556 4484 4110 -168 178 450 C ATOM 264 O HIS A 46 -19.978 -8.424 1.726 1.00 30.30 O ANISOU 264 O HIS A 46 3269 4330 3910 -134 207 429 O ATOM 265 CB HIS A 46 -17.818 -7.552 3.711 1.00 32.59 C ANISOU 265 CB HIS A 46 3722 4539 4121 -75 202 411 C ATOM 266 CG HIS A 46 -17.612 -6.669 4.897 1.00 32.69 C ANISOU 266 CG HIS A 46 3784 4576 4057 -52 242 402 C ATOM 267 ND1 HIS A 46 -18.640 -5.947 5.479 1.00 37.35 N ANISOU 267 ND1 HIS A 46 4342 5254 4595 -28 324 384 N ATOM 268 CD2 HIS A 46 -16.493 -6.358 5.588 1.00 29.17 C ANISOU 268 CD2 HIS A 46 3417 4087 3576 -48 211 399 C ATOM 269 CE1 HIS A 46 -18.152 -5.250 6.496 1.00 39.69 C ANISOU 269 CE1 HIS A 46 4712 5547 4820 -13 346 363 C ATOM 270 NE2 HIS A 46 -16.861 -5.509 6.604 1.00 37.46 N ANISOU 270 NE2 HIS A 46 4502 5187 4543 -36 273 382 N ATOM 0 H HIS A 46 -17.538 -9.732 4.773 1.00 35.91 H new ATOM 0 HA HIS A 46 -19.700 -8.281 4.337 1.00 33.48 H new ATOM 0 HB2 HIS A 46 -16.980 -7.994 3.503 1.00 32.59 H new ATOM 0 HB3 HIS A 46 -18.044 -6.999 2.947 1.00 32.59 H new ATOM 0 HD2 HIS A 46 -15.633 -6.662 5.409 1.00 29.17 H new ATOM 0 HE1 HIS A 46 -18.638 -4.675 7.042 1.00 39.69 H new ATOM 0 HE2 HIS A 46 -16.337 -5.197 7.211 1.00 37.46 H new ATOM 271 N GLY A 47 -18.661 -10.238 2.122 1.00 28.77 N ANISOU 271 N GLY A 47 3195 3989 3747 -209 108 458 N ATOM 272 CA GLY A 47 -18.707 -10.845 0.798 1.00 29.01 C ANISOU 272 CA GLY A 47 3206 3980 3834 -222 66 426 C ATOM 273 C GLY A 47 -20.070 -10.911 0.106 1.00 29.50 C ANISOU 273 C GLY A 47 3192 4119 3895 -277 87 447 C ATOM 274 O GLY A 47 -20.193 -10.474 -1.033 1.00 26.55 O ANISOU 274 O GLY A 47 2778 3766 3542 -253 84 408 O ATOM 0 H GLY A 47 -18.211 -10.709 2.683 1.00 28.77 H new ATOM 0 HA2 GLY A 47 -18.100 -10.355 0.221 1.00 29.01 H new ATOM 0 HA3 GLY A 47 -18.362 -11.749 0.869 1.00 29.01 H new ATOM 275 N ALA A 48 -21.076 -11.523 0.737 1.00 30.92 N ANISOU 275 N ALA A 48 3350 4349 4046 -369 99 513 N ATOM 276 CA ALA A 48 -22.407 -11.683 0.081 1.00 32.92 C ANISOU 276 CA ALA A 48 3512 4695 4300 -438 109 541 C ATOM 277 C ALA A 48 -23.097 -10.342 -0.182 1.00 31.82 C ANISOU 277 C ALA A 48 3261 4673 4156 -355 170 520 C ATOM 278 O ALA A 48 -23.656 -10.144 -1.244 1.00 32.33 O ANISOU 278 O ALA A 48 3263 4773 4248 -357 148 513 O ATOM 279 CB ALA A 48 -23.328 -12.623 0.918 1.00 33.91 C ANISOU 279 CB ALA A 48 3628 4875 4380 -581 111 625 C ATOM 0 H ALA A 48 -21.023 -11.851 1.530 1.00 30.92 H new ATOM 0 HA ALA A 48 -22.246 -12.092 -0.784 1.00 32.92 H new ATOM 0 HB1 ALA A 48 -24.186 -12.713 0.475 1.00 33.91 H new ATOM 0 HB2 ALA A 48 -22.912 -13.496 0.998 1.00 33.91 H new ATOM 0 HB3 ALA A 48 -23.459 -12.245 1.802 1.00 33.91 H new ATOM 280 N ALA A 49 -22.948 -9.395 0.739 1.00 31.26 N ANISOU 280 N ALA A 49 3182 4641 4052 -274 231 504 N ATOM 281 CA ALA A 49 -23.517 -8.075 0.546 1.00 31.65 C ANISOU 281 CA ALA A 49 3148 4768 4110 -168 272 472 C ATOM 282 C ALA A 49 -22.866 -7.400 -0.627 1.00 30.86 C ANISOU 282 C ALA A 49 3082 4592 4049 -103 218 434 C ATOM 283 O ALA A 49 -23.559 -6.761 -1.444 1.00 29.80 O ANISOU 283 O ALA A 49 2876 4502 3943 -65 198 433 O ATOM 284 CB ALA A 49 -23.409 -7.230 1.772 1.00 31.81 C ANISOU 284 CB ALA A 49 3179 4823 4081 -94 343 444 C ATOM 0 H ALA A 49 -22.522 -9.500 1.479 1.00 31.26 H new ATOM 0 HA ALA A 49 -24.463 -8.186 0.364 1.00 31.65 H new ATOM 0 HB1 ALA A 49 -23.800 -6.359 1.600 1.00 31.81 H new ATOM 0 HB2 ALA A 49 -23.882 -7.658 2.503 1.00 31.81 H new ATOM 0 HB3 ALA A 49 -22.475 -7.123 2.010 1.00 31.81 H new ATOM 285 N LEU A 50 -21.541 -7.503 -0.721 1.00 28.65 N ANISOU 285 N LEU A 50 2905 4211 3767 -97 189 406 N ATOM 286 CA LEU A 50 -20.853 -6.813 -1.817 1.00 27.86 C ANISOU 286 CA LEU A 50 2836 4065 3682 -61 145 370 C ATOM 287 C LEU A 50 -21.205 -7.480 -3.117 1.00 29.08 C ANISOU 287 C LEU A 50 2962 4227 3860 -131 98 373 C ATOM 288 O LEU A 50 -21.361 -6.810 -4.102 1.00 30.07 O ANISOU 288 O LEU A 50 3071 4366 3987 -122 64 369 O ATOM 289 CB LEU A 50 -19.324 -6.828 -1.610 1.00 26.20 C ANISOU 289 CB LEU A 50 2715 3778 3459 -49 132 333 C ATOM 290 CG LEU A 50 -18.873 -5.864 -0.501 1.00 22.29 C ANISOU 290 CG LEU A 50 2266 3274 2930 13 163 326 C ATOM 291 CD1 LEU A 50 -17.409 -6.216 -0.180 1.00 22.24 C ANISOU 291 CD1 LEU A 50 2326 3208 2913 1 140 305 C ATOM 292 CD2 LEU A 50 -19.032 -4.368 -0.862 1.00 25.09 C ANISOU 292 CD2 LEU A 50 2629 3629 3274 79 154 311 C ATOM 0 H LEU A 50 -21.037 -7.948 -0.185 1.00 28.65 H new ATOM 0 HA LEU A 50 -21.141 -5.887 -1.834 1.00 27.86 H new ATOM 0 HB2 LEU A 50 -19.039 -7.728 -1.388 1.00 26.20 H new ATOM 0 HB3 LEU A 50 -18.885 -6.589 -2.441 1.00 26.20 H new ATOM 0 HG LEU A 50 -19.448 -5.979 0.272 1.00 22.29 H new ATOM 0 HD11 LEU A 50 -17.081 -5.629 0.519 1.00 22.24 H new ATOM 0 HD12 LEU A 50 -17.356 -7.137 0.120 1.00 22.24 H new ATOM 0 HD13 LEU A 50 -16.867 -6.104 -0.977 1.00 22.24 H new ATOM 0 HD21 LEU A 50 -18.729 -3.822 -0.120 1.00 25.09 H new ATOM 0 HD22 LEU A 50 -18.501 -4.167 -1.648 1.00 25.09 H new ATOM 0 HD23 LEU A 50 -19.965 -4.176 -1.045 1.00 25.09 H new ATOM 293 N PHE A 51 -21.300 -8.815 -3.123 1.00 26.92 N ANISOU 293 N PHE A 51 2701 3932 3596 -212 84 383 N ATOM 294 CA PHE A 51 -21.675 -9.502 -4.337 1.00 30.31 C ANISOU 294 CA PHE A 51 3116 4361 4036 -291 37 377 C ATOM 295 C PHE A 51 -22.985 -8.955 -4.894 1.00 30.88 C ANISOU 295 C PHE A 51 3090 4529 4111 -305 24 422 C ATOM 296 O PHE A 51 -23.081 -8.655 -6.076 1.00 30.94 O ANISOU 296 O PHE A 51 3090 4549 4114 -328 -21 413 O ATOM 297 CB PHE A 51 -21.815 -10.993 -4.041 1.00 30.57 C ANISOU 297 CB PHE A 51 3188 4345 4080 -379 14 391 C ATOM 298 CG PHE A 51 -22.304 -11.789 -5.194 1.00 29.86 C ANISOU 298 CG PHE A 51 3101 4248 3994 -474 -37 382 C ATOM 299 CD1 PHE A 51 -21.557 -11.899 -6.324 1.00 29.81 C ANISOU 299 CD1 PHE A 51 3142 4199 3984 -475 -64 305 C ATOM 300 CD2 PHE A 51 -23.562 -12.340 -5.185 1.00 33.60 C ANISOU 300 CD2 PHE A 51 3520 4782 4463 -575 -55 447 C ATOM 301 CE1 PHE A 51 -21.969 -12.587 -7.369 1.00 34.14 C ANISOU 301 CE1 PHE A 51 3706 4742 4522 -566 -109 284 C ATOM 302 CE2 PHE A 51 -23.999 -13.040 -6.277 1.00 37.51 C ANISOU 302 CE2 PHE A 51 4029 5269 4953 -677 -113 437 C ATOM 303 CZ PHE A 51 -23.185 -13.175 -7.364 1.00 33.67 C ANISOU 303 CZ PHE A 51 3612 4720 4461 -669 -141 352 C ATOM 0 H PHE A 51 -21.153 -9.322 -2.444 1.00 26.92 H new ATOM 0 HA PHE A 51 -20.986 -9.360 -5.004 1.00 30.31 H new ATOM 0 HB2 PHE A 51 -20.954 -11.341 -3.761 1.00 30.57 H new ATOM 0 HB3 PHE A 51 -22.425 -11.110 -3.296 1.00 30.57 H new ATOM 0 HD1 PHE A 51 -20.730 -11.476 -6.361 1.00 29.81 H new ATOM 0 HD2 PHE A 51 -24.113 -12.238 -4.443 1.00 33.60 H new ATOM 0 HE1 PHE A 51 -21.419 -12.668 -8.115 1.00 34.14 H new ATOM 0 HE2 PHE A 51 -24.847 -13.422 -6.278 1.00 37.51 H new ATOM 0 HZ PHE A 51 -23.467 -13.670 -8.099 1.00 33.67 H new ATOM 304 N ARG A 52 -23.994 -8.853 -4.032 1.00 32.25 N ANISOU 304 N ARG A 52 3179 4783 4288 -296 61 469 N ATOM 305 CA ARG A 52 -25.368 -8.411 -4.431 1.00 34.81 C ANISOU 305 CA ARG A 52 3372 5224 4628 -297 48 511 C ATOM 306 C ARG A 52 -25.332 -7.044 -5.020 1.00 35.15 C ANISOU 306 C ARG A 52 3399 5265 4690 -192 18 498 C ATOM 307 O ARG A 52 -26.088 -6.758 -5.918 1.00 35.32 O ANISOU 307 O ARG A 52 3352 5337 4731 -206 -41 528 O ATOM 308 CB ARG A 52 -26.293 -8.349 -3.251 1.00 34.61 C ANISOU 308 CB ARG A 52 3243 5309 4596 -279 117 541 C ATOM 309 CG ARG A 52 -26.657 -9.703 -2.788 1.00 42.43 C ANISOU 309 CG ARG A 52 4234 6326 5559 -424 125 584 C ATOM 310 CD ARG A 52 -27.673 -9.632 -1.619 1.00 45.93 C ANISOU 310 CD ARG A 52 4553 6925 5971 -437 206 616 C ATOM 311 NE ARG A 52 -27.436 -10.766 -0.751 1.00 49.16 N ANISOU 311 NE ARG A 52 5041 7307 6330 -566 219 654 N ATOM 312 CZ ARG A 52 -26.941 -10.729 0.487 1.00 47.61 C ANISOU 312 CZ ARG A 52 4904 7099 6087 -552 276 649 C ATOM 313 NH1 ARG A 52 -26.670 -9.582 1.117 1.00 47.64 N ANISOU 313 NH1 ARG A 52 4892 7126 6080 -410 343 595 N ATOM 314 NH2 ARG A 52 -26.762 -11.880 1.118 1.00 52.44 N ANISOU 314 NH2 ARG A 52 5602 7668 6654 -694 254 704 N ATOM 0 H ARG A 52 -23.918 -9.034 -3.195 1.00 32.25 H new ATOM 0 HA ARG A 52 -25.687 -9.062 -5.075 1.00 34.81 H new ATOM 0 HB2 ARG A 52 -25.868 -7.861 -2.529 1.00 34.61 H new ATOM 0 HB3 ARG A 52 -27.095 -7.860 -3.491 1.00 34.61 H new ATOM 0 HG2 ARG A 52 -27.038 -10.209 -3.523 1.00 42.43 H new ATOM 0 HG3 ARG A 52 -25.860 -10.176 -2.501 1.00 42.43 H new ATOM 0 HD2 ARG A 52 -27.568 -8.802 -1.129 1.00 45.93 H new ATOM 0 HD3 ARG A 52 -28.582 -9.648 -1.958 1.00 45.93 H new ATOM 0 HE ARG A 52 -27.634 -11.542 -1.065 1.00 49.16 H new ATOM 0 HH11 ARG A 52 -26.814 -8.831 0.724 1.00 47.64 H new ATOM 0 HH12 ARG A 52 -26.351 -9.595 1.916 1.00 47.64 H new ATOM 0 HH21 ARG A 52 -26.963 -12.620 0.728 1.00 52.44 H new ATOM 0 HH22 ARG A 52 -26.444 -11.887 1.917 1.00 52.44 H new ATOM 315 N LEU A 53 -24.446 -6.194 -4.501 1.00 33.95 N ANISOU 315 N LEU A 53 3321 5048 4529 -97 44 460 N ATOM 316 CA LEU A 53 -24.381 -4.840 -4.956 1.00 34.33 C ANISOU 316 CA LEU A 53 3381 5070 4591 -5 0 454 C ATOM 317 C LEU A 53 -24.118 -4.732 -6.470 1.00 33.46 C ANISOU 317 C LEU A 53 3312 4932 4468 -75 -89 469 C ATOM 318 O LEU A 53 -24.631 -3.795 -7.120 1.00 34.20 O ANISOU 318 O LEU A 53 3381 5031 4580 -32 -162 500 O ATOM 319 CB LEU A 53 -23.305 -4.109 -4.178 1.00 34.19 C ANISOU 319 CB LEU A 53 3465 4975 4550 67 33 413 C ATOM 320 CG LEU A 53 -23.403 -2.660 -3.863 1.00 39.07 C ANISOU 320 CG LEU A 53 4105 5558 5181 192 17 398 C ATOM 321 CD1 LEU A 53 -24.709 -2.372 -3.081 1.00 42.39 C ANISOU 321 CD1 LEU A 53 4400 6067 5640 292 64 392 C ATOM 322 CD2 LEU A 53 -22.092 -2.349 -3.015 1.00 39.61 C ANISOU 322 CD2 LEU A 53 4295 5549 5204 206 55 358 C ATOM 0 H LEU A 53 -23.881 -6.396 -3.885 1.00 33.95 H new ATOM 0 HA LEU A 53 -25.247 -4.431 -4.799 1.00 34.33 H new ATOM 0 HB2 LEU A 53 -23.209 -4.573 -3.331 1.00 34.19 H new ATOM 0 HB3 LEU A 53 -22.475 -4.233 -4.665 1.00 34.19 H new ATOM 0 HG LEU A 53 -23.447 -2.094 -4.650 1.00 39.07 H new ATOM 0 HD11 LEU A 53 -24.764 -1.425 -2.880 1.00 42.39 H new ATOM 0 HD12 LEU A 53 -25.473 -2.633 -3.619 1.00 42.39 H new ATOM 0 HD13 LEU A 53 -24.709 -2.878 -2.253 1.00 42.39 H new ATOM 0 HD21 LEU A 53 -22.081 -1.411 -2.768 1.00 39.61 H new ATOM 0 HD22 LEU A 53 -22.088 -2.895 -2.213 1.00 39.61 H new ATOM 0 HD23 LEU A 53 -21.307 -2.552 -3.547 1.00 39.61 H new ATOM 323 N PHE A 54 -23.350 -5.667 -7.045 1.00 32.01 N ANISOU 323 N PHE A 54 3451 4468 4241 -148 140 391 N ATOM 324 CA PHE A 54 -22.983 -5.577 -8.454 1.00 32.61 C ANISOU 324 CA PHE A 54 3524 4546 4319 -233 59 377 C ATOM 325 C PHE A 54 -23.645 -6.664 -9.299 1.00 35.76 C ANISOU 325 C PHE A 54 3884 4961 4742 -330 12 424 C ATOM 326 O PHE A 54 -23.626 -6.569 -10.517 1.00 34.88 O ANISOU 326 O PHE A 54 3767 4858 4625 -401 -56 427 O ATOM 327 CB PHE A 54 -21.470 -5.647 -8.606 1.00 32.39 C ANISOU 327 CB PHE A 54 3579 4496 4229 -240 35 289 C ATOM 328 CG PHE A 54 -20.777 -4.632 -7.792 1.00 32.44 C ANISOU 328 CG PHE A 54 3629 4476 4220 -160 55 245 C ATOM 329 CD1 PHE A 54 -20.772 -3.311 -8.180 1.00 33.20 C ANISOU 329 CD1 PHE A 54 3708 4561 4346 -139 29 251 C ATOM 330 CD2 PHE A 54 -20.200 -4.995 -6.587 1.00 30.79 C ANISOU 330 CD2 PHE A 54 3480 4248 3969 -108 92 203 C ATOM 331 CE1 PHE A 54 -20.123 -2.380 -7.381 1.00 34.82 C ANISOU 331 CE1 PHE A 54 3964 4724 4542 -69 33 205 C ATOM 332 CE2 PHE A 54 -19.603 -4.069 -5.780 1.00 34.34 C ANISOU 332 CE2 PHE A 54 3983 4665 4397 -38 93 160 C ATOM 333 CZ PHE A 54 -19.547 -2.799 -6.144 1.00 35.26 C ANISOU 333 CZ PHE A 54 4091 4759 4544 -19 62 155 C ATOM 0 H PHE A 54 -23.036 -6.355 -6.635 1.00 32.01 H new ATOM 0 HA PHE A 54 -23.305 -4.722 -8.780 1.00 32.61 H new ATOM 0 HB2 PHE A 54 -21.162 -6.530 -8.349 1.00 32.39 H new ATOM 0 HB3 PHE A 54 -21.235 -5.525 -9.539 1.00 32.39 H new ATOM 0 HD1 PHE A 54 -21.196 -3.047 -8.964 1.00 33.20 H new ATOM 0 HD2 PHE A 54 -20.219 -5.886 -6.322 1.00 30.79 H new ATOM 0 HE1 PHE A 54 -20.064 -1.491 -7.649 1.00 34.82 H new ATOM 0 HE2 PHE A 54 -19.233 -4.333 -4.969 1.00 34.34 H new ATOM 0 HZ PHE A 54 -19.131 -2.177 -5.592 1.00 35.26 H new ATOM 334 N ALA A 55 -24.203 -7.693 -8.625 1.00 38.69 N ANISOU 334 N ALA A 55 4233 5331 5135 -334 44 462 N ATOM 335 CA ALA A 55 -24.794 -8.882 -9.275 1.00 41.09 C ANISOU 335 CA ALA A 55 4509 5630 5470 -431 -11 503 C ATOM 336 C ALA A 55 -25.666 -8.474 -10.430 1.00 42.28 C ANISOU 336 C ALA A 55 4597 5799 5666 -501 -88 568 C ATOM 337 O ALA A 55 -25.744 -9.187 -11.451 1.00 45.54 O ANISOU 337 O ALA A 55 5031 6203 6068 -599 -174 560 O ATOM 338 CB ALA A 55 -25.661 -9.687 -8.276 1.00 41.53 C ANISOU 338 CB ALA A 55 4507 5688 5583 -413 39 585 C ATOM 0 H ALA A 55 -24.248 -7.717 -7.767 1.00 38.69 H new ATOM 0 HA ALA A 55 -24.060 -9.433 -9.589 1.00 41.09 H new ATOM 0 HB1 ALA A 55 -26.037 -10.461 -8.724 1.00 41.53 H new ATOM 0 HB2 ALA A 55 -25.111 -9.980 -7.533 1.00 41.53 H new ATOM 0 HB3 ALA A 55 -26.379 -9.125 -7.944 1.00 41.53 H new ATOM 339 N GLY A 56 -26.329 -7.339 -10.272 1.00 42.95 N ANISOU 339 N GLY A 56 4611 5905 5801 -450 -61 631 N ATOM 340 CA GLY A 56 -27.269 -6.875 -11.238 1.00 43.68 C ANISOU 340 CA GLY A 56 4623 6017 5955 -509 -131 716 C ATOM 341 C GLY A 56 -26.757 -6.476 -12.605 1.00 44.39 C ANISOU 341 C GLY A 56 4757 6115 5991 -578 -221 676 C ATOM 342 O GLY A 56 -27.295 -6.955 -13.604 1.00 46.80 O ANISOU 342 O GLY A 56 5046 6428 6305 -679 -317 717 O ATOM 0 H GLY A 56 -26.236 -6.821 -9.591 1.00 42.95 H new ATOM 0 HA2 GLY A 56 -27.933 -7.571 -11.363 1.00 43.68 H new ATOM 0 HA3 GLY A 56 -27.729 -6.109 -10.859 1.00 43.68 H new ATOM 343 N ASP A 57 -25.769 -5.569 -12.658 1.00 40.21 N ANISOU 343 N ASP A 57 4280 5586 5410 -526 -196 608 N ATOM 344 CA ASP A 57 -25.298 -5.027 -13.911 1.00 39.77 C ANISOU 344 CA ASP A 57 4253 5548 5308 -578 -267 591 C ATOM 345 C ASP A 57 -23.824 -5.396 -14.188 1.00 35.85 C ANISOU 345 C ASP A 57 3867 5042 4709 -580 -259 480 C ATOM 346 O ASP A 57 -22.913 -4.746 -13.734 1.00 34.79 O ANISOU 346 O ASP A 57 3763 4897 4559 -515 -214 433 O ATOM 347 CB ASP A 57 -25.458 -3.516 -13.881 1.00 41.29 C ANISOU 347 CB ASP A 57 4388 5745 5552 -520 -251 635 C ATOM 348 CG ASP A 57 -24.956 -2.840 -15.139 1.00 45.01 C ANISOU 348 CG ASP A 57 4878 6240 5982 -569 -319 637 C ATOM 349 OD1 ASP A 57 -24.611 -3.541 -16.150 1.00 46.72 O ANISOU 349 OD1 ASP A 57 5152 6479 6118 -650 -379 609 O ATOM 350 OD2 ASP A 57 -24.952 -1.588 -15.124 1.00 52.09 O ANISOU 350 OD2 ASP A 57 5733 7132 6928 -522 -311 671 O ATOM 0 H ASP A 57 -25.364 -5.261 -11.965 1.00 40.21 H new ATOM 0 HA ASP A 57 -25.827 -5.412 -14.627 1.00 39.77 H new ATOM 0 HB2 ASP A 57 -26.395 -3.298 -13.755 1.00 41.29 H new ATOM 0 HB3 ASP A 57 -24.979 -3.161 -13.116 1.00 41.29 H new ATOM 351 N ASP A 58 -23.634 -6.413 -15.019 1.00 33.29 N ANISOU 351 N ASP A 58 3603 4722 4324 -658 -311 445 N ATOM 352 CA ASP A 58 -22.331 -6.903 -15.386 1.00 32.91 C ANISOU 352 CA ASP A 58 3654 4664 4184 -658 -295 351 C ATOM 353 C ASP A 58 -21.414 -5.903 -16.071 1.00 31.74 C ANISOU 353 C ASP A 58 3525 4542 3990 -639 -293 338 C ATOM 354 O ASP A 58 -20.211 -6.115 -16.064 1.00 30.90 O ANISOU 354 O ASP A 58 3480 4427 3833 -610 -252 274 O ATOM 355 CB ASP A 58 -22.490 -8.096 -16.282 1.00 33.97 C ANISOU 355 CB ASP A 58 3853 4792 4260 -742 -356 320 C ATOM 356 CG ASP A 58 -22.933 -9.298 -15.546 1.00 36.18 C ANISOU 356 CG ASP A 58 4136 5029 4581 -757 -349 312 C ATOM 357 OD1 ASP A 58 -23.027 -9.272 -14.268 1.00 34.09 O ANISOU 357 OD1 ASP A 58 3825 4748 4376 -693 -283 330 O ATOM 358 OD2 ASP A 58 -23.169 -10.278 -16.270 1.00 43.22 O ANISOU 358 OD2 ASP A 58 5084 5900 5437 -832 -415 288 O ATOM 0 H ASP A 58 -24.280 -6.843 -15.390 1.00 33.29 H new ATOM 0 HA ASP A 58 -21.899 -7.119 -14.545 1.00 32.91 H new ATOM 0 HB2 ASP A 58 -23.133 -7.891 -16.978 1.00 33.97 H new ATOM 0 HB3 ASP A 58 -21.646 -8.282 -16.722 1.00 33.97 H new ATOM 359 N SER A 59 -21.970 -4.811 -16.589 1.00 30.46 N ANISOU 359 N SER A 59 3301 4410 3862 -650 -332 411 N ATOM 360 CA SER A 59 -21.174 -3.737 -17.214 1.00 32.44 C ANISOU 360 CA SER A 59 3552 4684 4088 -634 -334 422 C ATOM 361 C SER A 59 -20.224 -3.069 -16.209 1.00 30.53 C ANISOU 361 C SER A 59 3308 4406 3884 -548 -271 388 C ATOM 362 O SER A 59 -19.242 -2.516 -16.612 1.00 29.78 O ANISOU 362 O SER A 59 3229 4318 3766 -534 -265 382 O ATOM 363 CB SER A 59 -22.076 -2.685 -17.903 1.00 33.91 C ANISOU 363 CB SER A 59 3660 4902 4323 -665 -396 522 C ATOM 364 OG SER A 59 -22.730 -1.892 -16.934 1.00 37.10 O ANISOU 364 OG SER A 59 3984 5276 4837 -605 -370 566 O ATOM 0 H SER A 59 -22.818 -4.665 -16.592 1.00 30.46 H new ATOM 0 HA SER A 59 -20.629 -4.156 -17.899 1.00 32.44 H new ATOM 0 HB2 SER A 59 -21.541 -2.122 -18.484 1.00 33.91 H new ATOM 0 HB3 SER A 59 -22.732 -3.129 -18.463 1.00 33.91 H new ATOM 0 HG SER A 59 -23.216 -1.324 -17.318 1.00 37.10 H new ATOM 365 N HIS A 60 -20.476 -3.230 -14.915 1.00 28.66 N ANISOU 365 N HIS A 60 3060 4131 3697 -493 -228 367 N ATOM 366 CA HIS A 60 -19.601 -2.744 -13.862 1.00 28.20 C ANISOU 366 CA HIS A 60 3021 4032 3660 -418 -184 325 C ATOM 367 C HIS A 60 -18.116 -3.137 -14.059 1.00 27.38 C ANISOU 367 C HIS A 60 2977 3922 3502 -416 -167 270 C ATOM 368 O HIS A 60 -17.208 -2.354 -13.834 1.00 26.93 O ANISOU 368 O HIS A 60 2921 3843 3467 -381 -166 266 O ATOM 369 CB HIS A 60 -20.095 -3.223 -12.471 1.00 28.19 C ANISOU 369 CB HIS A 60 3023 4001 3686 -366 -135 304 C ATOM 370 CG HIS A 60 -19.199 -2.770 -11.362 1.00 28.72 C ANISOU 370 CG HIS A 60 3128 4025 3757 -293 -105 255 C ATOM 371 ND1 HIS A 60 -19.136 -1.463 -10.936 1.00 31.42 N ANISOU 371 ND1 HIS A 60 3457 4335 4145 -239 -112 263 N ATOM 372 CD2 HIS A 60 -18.182 -3.419 -10.738 1.00 30.37 C ANISOU 372 CD2 HIS A 60 3395 4212 3930 -275 -83 199 C ATOM 373 CE1 HIS A 60 -18.186 -1.353 -10.021 1.00 35.35 C ANISOU 373 CE1 HIS A 60 4009 4792 4629 -193 -103 209 C ATOM 374 NE2 HIS A 60 -17.581 -2.525 -9.898 1.00 31.22 N ANISOU 374 NE2 HIS A 60 3524 4279 4059 -216 -86 176 N ATOM 0 H HIS A 60 -21.176 -3.634 -14.621 1.00 28.66 H new ATOM 0 HA HIS A 60 -19.642 -1.776 -13.910 1.00 28.20 H new ATOM 0 HB2 HIS A 60 -20.992 -2.888 -12.316 1.00 28.19 H new ATOM 0 HB3 HIS A 60 -20.149 -4.191 -12.465 1.00 28.19 H new ATOM 0 HD2 HIS A 60 -17.939 -4.308 -10.860 1.00 30.37 H new ATOM 0 HE1 HIS A 60 -17.978 -0.582 -9.544 1.00 35.35 H new ATOM 0 HE2 HIS A 60 -16.919 -2.695 -9.376 1.00 31.22 H new ATOM 375 N TRP A 61 -17.898 -4.343 -14.550 1.00 28.30 N ANISOU 375 N TRP A 61 3142 4053 3557 -455 -158 236 N ATOM 376 CA TRP A 61 -16.605 -4.964 -14.633 1.00 28.39 C ANISOU 376 CA TRP A 61 3207 4054 3525 -443 -124 187 C ATOM 377 C TRP A 61 -15.892 -4.657 -15.980 1.00 30.49 C ANISOU 377 C TRP A 61 3485 4359 3738 -469 -130 205 C ATOM 378 O TRP A 61 -14.758 -5.032 -16.141 1.00 29.97 O ANISOU 378 O TRP A 61 3451 4289 3645 -449 -91 180 O ATOM 379 CB TRP A 61 -16.753 -6.493 -14.375 1.00 28.14 C ANISOU 379 CB TRP A 61 3225 4003 3461 -460 -101 136 C ATOM 380 CG TRP A 61 -17.651 -6.844 -13.205 1.00 27.69 C ANISOU 380 CG TRP A 61 3145 3922 3452 -443 -94 142 C ATOM 381 CD1 TRP A 61 -18.946 -7.297 -13.262 1.00 30.01 C ANISOU 381 CD1 TRP A 61 3413 4224 3764 -483 -119 174 C ATOM 382 CD2 TRP A 61 -17.322 -6.747 -11.803 1.00 24.62 C ANISOU 382 CD2 TRP A 61 2756 3501 3095 -381 -59 128 C ATOM 383 NE1 TRP A 61 -19.437 -7.471 -11.976 1.00 28.64 N ANISOU 383 NE1 TRP A 61 3214 4030 3635 -442 -86 187 N ATOM 384 CE2 TRP A 61 -18.445 -7.156 -11.079 1.00 23.78 C ANISOU 384 CE2 TRP A 61 2624 3392 3017 -378 -48 153 C ATOM 385 CE3 TRP A 61 -16.187 -6.298 -11.102 1.00 24.59 C ANISOU 385 CE3 TRP A 61 2769 3472 3100 -330 -43 105 C ATOM 386 CZ2 TRP A 61 -18.462 -7.153 -9.710 1.00 26.33 C ANISOU 386 CZ2 TRP A 61 2950 3695 3356 -319 -11 149 C ATOM 387 CZ3 TRP A 61 -16.210 -6.316 -9.768 1.00 26.21 C ANISOU 387 CZ3 TRP A 61 2984 3651 3321 -282 -23 95 C ATOM 388 CH2 TRP A 61 -17.334 -6.737 -9.066 1.00 25.86 C ANISOU 388 CH2 TRP A 61 2926 3612 3285 -271 -1 114 C ATOM 0 H TRP A 61 -18.531 -4.839 -14.856 1.00 28.30 H new ATOM 0 HA TRP A 61 -16.032 -4.588 -13.946 1.00 28.39 H new ATOM 0 HB2 TRP A 61 -17.104 -6.913 -15.176 1.00 28.14 H new ATOM 0 HB3 TRP A 61 -15.873 -6.871 -14.219 1.00 28.14 H new ATOM 0 HD1 TRP A 61 -19.422 -7.462 -14.044 1.00 30.01 H new ATOM 0 HE1 TRP A 61 -20.231 -7.733 -11.774 1.00 28.64 H new ATOM 0 HE3 TRP A 61 -15.436 -5.995 -11.559 1.00 24.59 H new ATOM 0 HZ2 TRP A 61 -19.215 -7.425 -9.237 1.00 26.33 H new ATOM 0 HZ3 TRP A 61 -15.457 -6.041 -9.297 1.00 26.21 H new ATOM 0 HH2 TRP A 61 -17.316 -6.735 -8.136 1.00 25.86 H new ATOM 389 N GLU A 62 -16.525 -3.871 -16.878 1.00 31.57 N ANISOU 389 N GLU A 62 3587 4537 3869 -505 -175 263 N ATOM 390 CA GLU A 62 -16.124 -3.760 -18.290 1.00 33.78 C ANISOU 390 CA GLU A 62 3890 4871 4072 -539 -183 289 C ATOM 391 C GLU A 62 -14.639 -3.433 -18.451 1.00 34.08 C ANISOU 391 C GLU A 62 3929 4911 4106 -499 -134 297 C ATOM 392 O GLU A 62 -13.967 -3.999 -19.320 1.00 34.38 O ANISOU 392 O GLU A 62 4017 4982 4060 -502 -94 282 O ATOM 393 CB GLU A 62 -16.931 -2.636 -19.025 1.00 35.12 C ANISOU 393 CB GLU A 62 4000 5081 4262 -575 -246 375 C ATOM 394 CG GLU A 62 -16.528 -2.496 -20.515 1.00 40.41 C ANISOU 394 CG GLU A 62 4699 5819 4834 -611 -254 412 C ATOM 395 CD GLU A 62 -17.414 -1.561 -21.322 1.00 46.78 C ANISOU 395 CD GLU A 62 5452 6671 5651 -659 -327 505 C ATOM 396 OE1 GLU A 62 -18.451 -1.089 -20.793 1.00 47.36 O ANISOU 396 OE1 GLU A 62 5462 6719 5812 -666 -371 540 O ATOM 397 OE2 GLU A 62 -17.043 -1.321 -22.498 1.00 52.75 O ANISOU 397 OE2 GLU A 62 6229 7489 6323 -683 -333 548 O ATOM 0 H GLU A 62 -17.205 -3.385 -16.676 1.00 31.57 H new ATOM 0 HA GLU A 62 -16.310 -4.628 -18.680 1.00 33.78 H new ATOM 0 HB2 GLU A 62 -17.879 -2.831 -18.966 1.00 35.12 H new ATOM 0 HB3 GLU A 62 -16.787 -1.790 -18.573 1.00 35.12 H new ATOM 0 HG2 GLU A 62 -15.613 -2.177 -20.562 1.00 40.41 H new ATOM 0 HG3 GLU A 62 -16.544 -3.374 -20.927 1.00 40.41 H new ATOM 398 N HIS A 63 -14.145 -2.491 -17.664 1.00 31.81 N ANISOU 398 N HIS A 63 3587 4588 3910 -460 -139 325 N ATOM 399 CA HIS A 63 -12.728 -2.061 -17.796 1.00 33.02 C ANISOU 399 CA HIS A 63 3719 4738 4087 -429 -108 358 C ATOM 400 C HIS A 63 -11.819 -2.560 -16.646 1.00 32.57 C ANISOU 400 C HIS A 63 3675 4623 4076 -384 -77 313 C ATOM 401 O HIS A 63 -10.661 -2.062 -16.433 1.00 33.90 O ANISOU 401 O HIS A 63 3807 4769 4302 -359 -71 352 O ATOM 402 CB HIS A 63 -12.667 -0.546 -17.824 1.00 33.91 C ANISOU 402 CB HIS A 63 3758 4841 4284 -427 -158 438 C ATOM 403 CG HIS A 63 -13.543 0.083 -18.863 1.00 33.70 C ANISOU 403 CG HIS A 63 3704 4868 4232 -470 -198 501 C ATOM 404 ND1 HIS A 63 -13.304 -0.039 -20.221 1.00 38.11 N ANISOU 404 ND1 HIS A 63 4276 5502 4700 -499 -179 546 N ATOM 405 CD2 HIS A 63 -14.635 0.875 -18.736 1.00 35.83 C ANISOU 405 CD2 HIS A 63 3931 5127 4556 -485 -255 534 C ATOM 406 CE1 HIS A 63 -14.233 0.631 -20.883 1.00 37.17 C ANISOU 406 CE1 HIS A 63 4125 5418 4578 -539 -236 606 C ATOM 407 NE2 HIS A 63 -15.057 1.192 -20.004 1.00 38.20 N ANISOU 407 NE2 HIS A 63 4213 5493 4804 -531 -281 604 N ATOM 0 H HIS A 63 -14.592 -2.084 -17.052 1.00 31.81 H new ATOM 0 HA HIS A 63 -12.398 -2.453 -18.619 1.00 33.02 H new ATOM 0 HB2 HIS A 63 -12.921 -0.206 -16.952 1.00 33.91 H new ATOM 0 HB3 HIS A 63 -11.750 -0.272 -17.979 1.00 33.91 H new ATOM 0 HD2 HIS A 63 -15.026 1.152 -17.939 1.00 35.83 H new ATOM 0 HE1 HIS A 63 -14.298 0.698 -21.808 1.00 37.17 H new ATOM 0 HE2 HIS A 63 -15.742 1.674 -20.197 1.00 38.20 H new ATOM 408 N LEU A 64 -12.294 -3.550 -15.915 1.00 31.79 N ANISOU 408 N LEU A 64 3620 4497 3958 -379 -63 244 N ATOM 409 CA LEU A 64 -11.548 -4.072 -14.770 1.00 30.70 C ANISOU 409 CA LEU A 64 3497 4307 3859 -341 -42 208 C ATOM 410 C LEU A 64 -10.972 -5.429 -15.062 1.00 31.28 C ANISOU 410 C LEU A 64 3619 4383 3881 -334 20 167 C ATOM 411 O LEU A 64 -11.564 -6.184 -15.864 1.00 29.90 O ANISOU 411 O LEU A 64 3490 4236 3632 -362 37 136 O ATOM 412 CB LEU A 64 -12.502 -4.185 -13.613 1.00 31.50 C ANISOU 412 CB LEU A 64 3609 4374 3982 -332 -66 171 C ATOM 413 CG LEU A 64 -12.657 -2.979 -12.700 1.00 36.01 C ANISOU 413 CG LEU A 64 4153 4908 4621 -304 -113 188 C ATOM 414 CD1 LEU A 64 -12.277 -1.617 -13.284 1.00 35.10 C ANISOU 414 CD1 LEU A 64 3988 4792 4555 -310 -155 249 C ATOM 415 CD2 LEU A 64 -14.023 -2.949 -12.055 1.00 34.58 C ANISOU 415 CD2 LEU A 64 3976 4721 4440 -296 -120 170 C ATOM 0 H LEU A 64 -13.047 -3.939 -16.060 1.00 31.79 H new ATOM 0 HA LEU A 64 -10.813 -3.472 -14.569 1.00 30.70 H new ATOM 0 HB2 LEU A 64 -13.377 -4.403 -13.969 1.00 31.50 H new ATOM 0 HB3 LEU A 64 -12.222 -4.937 -13.068 1.00 31.50 H new ATOM 0 HG LEU A 64 -11.980 -3.122 -12.021 1.00 36.01 H new ATOM 0 HD11 LEU A 64 -12.416 -0.928 -12.616 1.00 35.10 H new ATOM 0 HD12 LEU A 64 -11.344 -1.627 -13.548 1.00 35.10 H new ATOM 0 HD13 LEU A 64 -12.830 -1.431 -14.059 1.00 35.10 H new ATOM 0 HD21 LEU A 64 -14.092 -2.171 -11.480 1.00 34.58 H new ATOM 0 HD22 LEU A 64 -14.705 -2.904 -12.743 1.00 34.58 H new ATOM 0 HD23 LEU A 64 -14.150 -3.753 -11.527 1.00 34.58 H new ATOM 416 N PRO A 65 -9.887 -5.819 -14.354 1.00 29.29 N ANISOU 416 N PRO A 65 3363 4092 3672 -298 46 162 N ATOM 417 CA PRO A 65 -9.301 -7.112 -14.681 1.00 30.98 C ANISOU 417 CA PRO A 65 3619 4300 3849 -282 115 128 C ATOM 418 C PRO A 65 -9.963 -8.322 -14.034 1.00 31.82 C ANISOU 418 C PRO A 65 3777 4373 3937 -288 121 62 C ATOM 419 O PRO A 65 -9.414 -9.407 -14.057 1.00 33.11 O ANISOU 419 O PRO A 65 3974 4511 4093 -268 172 32 O ATOM 420 CB PRO A 65 -7.815 -6.953 -14.269 1.00 32.04 C ANISOU 420 CB PRO A 65 3709 4407 4057 -242 138 175 C ATOM 421 CG PRO A 65 -7.777 -5.818 -13.394 1.00 32.76 C ANISOU 421 CG PRO A 65 3754 4472 4219 -245 62 211 C ATOM 422 CD PRO A 65 -9.050 -5.040 -13.444 1.00 29.77 C ANISOU 422 CD PRO A 65 3380 4112 3819 -273 10 199 C ATOM 0 HA PRO A 65 -9.426 -7.313 -15.622 1.00 30.98 H new ATOM 0 HB2 PRO A 65 -7.490 -7.750 -13.821 1.00 32.04 H new ATOM 0 HB3 PRO A 65 -7.251 -6.814 -15.046 1.00 32.04 H new ATOM 0 HG2 PRO A 65 -7.614 -6.115 -12.485 1.00 32.76 H new ATOM 0 HG3 PRO A 65 -7.036 -5.243 -13.641 1.00 32.76 H new ATOM 0 HD2 PRO A 65 -9.455 -4.960 -12.566 1.00 29.77 H new ATOM 0 HD3 PRO A 65 -8.906 -4.139 -13.773 1.00 29.77 H new ATOM 423 N TYR A 66 -11.154 -8.143 -13.458 1.00 29.77 N ANISOU 423 N TYR A 66 3518 4111 3680 -312 74 48 N ATOM 424 CA TYR A 66 -11.863 -9.216 -12.817 1.00 29.47 C ANISOU 424 CA TYR A 66 3513 4045 3637 -322 77 8 C ATOM 425 C TYR A 66 -13.333 -8.970 -12.996 1.00 28.51 C ANISOU 425 C TYR A 66 3386 3948 3499 -363 35 13 C ATOM 426 O TYR A 66 -13.756 -7.895 -13.376 1.00 28.13 O ANISOU 426 O TYR A 66 3304 3931 3452 -374 3 47 O ATOM 427 CB TYR A 66 -11.577 -9.258 -11.308 1.00 28.40 C ANISOU 427 CB TYR A 66 3364 3872 3555 -288 69 13 C ATOM 428 CG TYR A 66 -11.497 -7.898 -10.662 1.00 27.96 C ANISOU 428 CG TYR A 66 3273 3818 3533 -268 27 44 C ATOM 429 CD1 TYR A 66 -12.605 -7.273 -10.109 1.00 29.78 C ANISOU 429 CD1 TYR A 66 3494 4055 3764 -267 -1 48 C ATOM 430 CD2 TYR A 66 -10.275 -7.240 -10.576 1.00 33.28 C ANISOU 430 CD2 TYR A 66 3922 4476 4246 -247 14 73 C ATOM 431 CE1 TYR A 66 -12.504 -5.978 -9.572 1.00 30.05 C ANISOU 431 CE1 TYR A 66 3510 4076 3828 -242 -40 66 C ATOM 432 CE2 TYR A 66 -10.164 -5.980 -10.009 1.00 31.10 C ANISOU 432 CE2 TYR A 66 3624 4184 4006 -233 -41 97 C ATOM 433 CZ TYR A 66 -11.263 -5.375 -9.490 1.00 32.44 C ANISOU 433 CZ TYR A 66 3803 4355 4168 -228 -67 84 C ATOM 434 OH TYR A 66 -11.105 -4.120 -8.945 1.00 36.62 O ANISOU 434 OH TYR A 66 4325 4855 4734 -208 -122 96 O ATOM 0 H TYR A 66 -11.564 -7.387 -13.435 1.00 29.77 H new ATOM 0 HA TYR A 66 -11.578 -10.055 -13.213 1.00 29.47 H new ATOM 0 HB2 TYR A 66 -12.272 -9.774 -10.870 1.00 28.40 H new ATOM 0 HB3 TYR A 66 -10.741 -9.726 -11.159 1.00 28.40 H new ATOM 0 HD1 TYR A 66 -13.423 -7.715 -10.093 1.00 29.78 H new ATOM 0 HD2 TYR A 66 -9.512 -7.656 -10.908 1.00 33.28 H new ATOM 0 HE1 TYR A 66 -13.264 -5.532 -9.275 1.00 30.05 H new ATOM 0 HE2 TYR A 66 -9.339 -5.551 -9.984 1.00 31.10 H new ATOM 0 HH TYR A 66 -10.740 -3.614 -9.507 1.00 36.62 H new ATOM 435 N GLY A 67 -14.112 -9.947 -12.596 1.00 30.24 N ANISOU 435 N GLY A 67 3625 4146 3719 -382 32 -7 N ATOM 436 CA GLY A 67 -15.541 -9.880 -12.764 1.00 30.18 C ANISOU 436 CA GLY A 67 3599 4157 3711 -426 -7 12 C ATOM 437 C GLY A 67 -15.977 -10.125 -14.219 1.00 31.91 C ANISOU 437 C GLY A 67 3851 4399 3872 -484 -38 2 C ATOM 438 O GLY A 67 -15.187 -10.131 -15.156 1.00 32.91 O ANISOU 438 O GLY A 67 4017 4540 3945 -482 -20 -20 O ATOM 0 H GLY A 67 -13.829 -10.667 -12.220 1.00 30.24 H new ATOM 0 HA2 GLY A 67 -15.962 -10.537 -12.189 1.00 30.18 H new ATOM 0 HA3 GLY A 67 -15.857 -9.009 -12.478 1.00 30.18 H new ATOM 439 N PRO A 68 -17.247 -10.385 -14.418 1.00 32.51 N ANISOU 439 N PRO A 68 3914 4481 3955 -537 -88 23 N ATOM 440 CA PRO A 68 -18.250 -10.636 -13.395 1.00 31.89 C ANISOU 440 CA PRO A 68 3787 4387 3941 -540 -97 61 C ATOM 441 C PRO A 68 -18.035 -11.980 -12.729 1.00 31.01 C ANISOU 441 C PRO A 68 3710 4223 3849 -537 -72 29 C ATOM 442 O PRO A 68 -17.196 -12.775 -13.152 1.00 30.84 O ANISOU 442 O PRO A 68 3753 4169 3793 -536 -54 -27 O ATOM 443 CB PRO A 68 -19.569 -10.554 -14.171 1.00 32.42 C ANISOU 443 CB PRO A 68 3826 4476 4014 -611 -168 107 C ATOM 444 CG PRO A 68 -19.197 -10.764 -15.620 1.00 36.13 C ANISOU 444 CG PRO A 68 4368 4959 4399 -658 -204 65 C ATOM 445 CD PRO A 68 -17.783 -10.415 -15.808 1.00 34.08 C ANISOU 445 CD PRO A 68 4145 4708 4094 -603 -143 24 C ATOM 0 HA PRO A 68 -18.222 -10.005 -12.659 1.00 31.89 H new ATOM 0 HB2 PRO A 68 -20.195 -11.231 -13.869 1.00 32.42 H new ATOM 0 HB3 PRO A 68 -19.998 -9.694 -14.041 1.00 32.42 H new ATOM 0 HG2 PRO A 68 -19.351 -11.687 -15.875 1.00 36.13 H new ATOM 0 HG3 PRO A 68 -19.756 -10.215 -16.192 1.00 36.13 H new ATOM 0 HD2 PRO A 68 -17.322 -11.071 -16.355 1.00 34.08 H new ATOM 0 HD3 PRO A 68 -17.682 -9.557 -16.249 1.00 34.08 H new ATOM 446 N PHE A 69 -18.739 -12.177 -11.635 1.00 31.48 N ANISOU 446 N PHE A 69 3721 4273 3964 -523 -62 73 N ATOM 447 CA PHE A 69 -18.595 -13.372 -10.808 1.00 31.35 C ANISOU 447 CA PHE A 69 3721 4211 3979 -516 -37 65 C ATOM 448 C PHE A 69 -19.830 -14.278 -10.980 1.00 33.80 C ANISOU 448 C PHE A 69 4010 4498 4334 -586 -87 105 C ATOM 449 O PHE A 69 -20.959 -13.809 -10.954 1.00 33.06 O ANISOU 449 O PHE A 69 3849 4434 4276 -609 -114 174 O ATOM 450 CB PHE A 69 -18.333 -12.938 -9.383 1.00 30.00 C ANISOU 450 CB PHE A 69 3519 4050 3828 -445 13 92 C ATOM 451 CG PHE A 69 -17.059 -12.173 -9.231 1.00 29.45 C ANISOU 451 CG PHE A 69 3475 3986 3727 -391 38 55 C ATOM 452 CD1 PHE A 69 -15.836 -12.840 -9.095 1.00 30.93 C ANISOU 452 CD1 PHE A 69 3704 4138 3909 -371 61 16 C ATOM 453 CD2 PHE A 69 -17.051 -10.789 -9.299 1.00 31.65 C ANISOU 453 CD2 PHE A 69 3730 4299 3996 -364 31 68 C ATOM 454 CE1 PHE A 69 -14.621 -12.104 -8.955 1.00 25.64 C ANISOU 454 CE1 PHE A 69 3042 3471 3228 -327 74 1 C ATOM 455 CE2 PHE A 69 -15.863 -10.064 -9.219 1.00 27.92 C ANISOU 455 CE2 PHE A 69 3274 3822 3510 -326 37 44 C ATOM 456 CZ PHE A 69 -14.662 -10.732 -9.019 1.00 27.65 C ANISOU 456 CZ PHE A 69 3272 3757 3474 -309 56 16 C ATOM 0 H PHE A 69 -19.323 -11.618 -11.341 1.00 31.48 H new ATOM 0 HA PHE A 69 -17.837 -13.911 -11.084 1.00 31.35 H new ATOM 0 HB2 PHE A 69 -19.072 -12.390 -9.076 1.00 30.00 H new ATOM 0 HB3 PHE A 69 -18.304 -13.721 -8.812 1.00 30.00 H new ATOM 0 HD1 PHE A 69 -15.815 -13.770 -9.096 1.00 30.93 H new ATOM 0 HD2 PHE A 69 -17.856 -10.334 -9.400 1.00 31.65 H new ATOM 0 HE1 PHE A 69 -13.814 -12.546 -8.822 1.00 25.64 H new ATOM 0 HE2 PHE A 69 -15.875 -9.138 -9.299 1.00 27.92 H new ATOM 0 HZ PHE A 69 -13.875 -10.244 -8.927 1.00 27.65 H new ATOM 457 N GLU A 70 -19.599 -15.559 -11.222 1.00 35.96 N ANISOU 457 N GLU A 70 4335 4710 4615 -621 -104 66 N ATOM 458 CA GLU A 70 -20.710 -16.438 -11.583 1.00 39.44 C ANISOU 458 CA GLU A 70 4765 5114 5104 -703 -177 100 C ATOM 459 C GLU A 70 -21.651 -16.676 -10.395 1.00 38.70 C ANISOU 459 C GLU A 70 4579 5025 5098 -698 -161 203 C ATOM 460 O GLU A 70 -22.762 -17.127 -10.607 1.00 39.74 O ANISOU 460 O GLU A 70 4666 5141 5292 -767 -224 267 O ATOM 461 CB GLU A 70 -20.209 -17.795 -12.107 1.00 41.41 C ANISOU 461 CB GLU A 70 5108 5279 5347 -739 -204 25 C ATOM 462 CG GLU A 70 -19.874 -18.797 -11.009 1.00 44.82 C ANISOU 462 CG GLU A 70 5528 5655 5843 -710 -162 41 C ATOM 463 CD GLU A 70 -19.112 -20.030 -11.518 1.00 52.70 C ANISOU 463 CD GLU A 70 6627 6560 6837 -722 -171 -45 C ATOM 464 OE1 GLU A 70 -17.952 -20.292 -11.039 1.00 54.87 O ANISOU 464 OE1 GLU A 70 6927 6813 7108 -655 -100 -80 O ATOM 465 OE2 GLU A 70 -19.664 -20.719 -12.417 1.00 58.05 O ANISOU 465 OE2 GLU A 70 7360 7180 7516 -797 -253 -78 O ATOM 0 H GLU A 70 -18.827 -15.937 -11.185 1.00 35.96 H new ATOM 0 HA GLU A 70 -21.199 -15.986 -12.288 1.00 39.44 H new ATOM 0 HB2 GLU A 70 -20.886 -18.178 -12.686 1.00 41.41 H new ATOM 0 HB3 GLU A 70 -19.420 -17.650 -12.652 1.00 41.41 H new ATOM 0 HG2 GLU A 70 -19.342 -18.355 -10.329 1.00 44.82 H new ATOM 0 HG3 GLU A 70 -20.696 -19.086 -10.583 1.00 44.82 H new ATOM 466 N ASP A 71 -21.148 -16.508 -9.168 1.00 35.76 N ANISOU 466 N ASP A 71 4185 4670 4731 -621 -81 221 N ATOM 467 CA ASP A 71 -21.942 -16.638 -7.953 1.00 36.67 C ANISOU 467 CA ASP A 71 4220 4805 4906 -596 -42 321 C ATOM 468 C ASP A 71 -21.186 -16.091 -6.747 1.00 34.15 C ANISOU 468 C ASP A 71 3908 4519 4547 -498 41 316 C ATOM 469 O ASP A 71 -20.034 -15.765 -6.830 1.00 30.73 O ANISOU 469 O ASP A 71 3534 4082 4061 -462 56 242 O ATOM 470 CB ASP A 71 -22.359 -18.117 -7.690 1.00 37.24 C ANISOU 470 CB ASP A 71 4279 4812 5057 -650 -72 365 C ATOM 471 CG ASP A 71 -21.165 -19.066 -7.580 1.00 38.94 C ANISOU 471 CG ASP A 71 4574 4962 5259 -637 -59 289 C ATOM 472 OD1 ASP A 71 -20.028 -18.679 -7.150 1.00 32.20 O ANISOU 472 OD1 ASP A 71 3760 4124 4351 -567 -3 238 O ATOM 473 OD2 ASP A 71 -21.388 -20.243 -7.903 1.00 38.46 O ANISOU 473 OD2 ASP A 71 4531 4824 5255 -700 -112 289 O ATOM 0 H ASP A 71 -20.323 -16.313 -9.021 1.00 35.76 H new ATOM 0 HA ASP A 71 -22.749 -16.116 -8.084 1.00 36.67 H new ATOM 0 HB2 ASP A 71 -22.877 -18.161 -6.871 1.00 37.24 H new ATOM 0 HB3 ASP A 71 -22.938 -18.417 -8.408 1.00 37.24 H new ATOM 474 N GLU A 72 -21.861 -16.039 -5.614 1.00 34.16 N ANISOU 474 N GLU A 72 3849 4552 4575 -457 92 404 N ATOM 475 CA GLU A 72 -21.281 -15.585 -4.372 1.00 34.41 C ANISOU 475 CA GLU A 72 3900 4615 4557 -367 162 404 C ATOM 476 C GLU A 72 -19.965 -16.224 -3.984 1.00 32.43 C ANISOU 476 C GLU A 72 3716 4325 4278 -350 167 348 C ATOM 477 O GLU A 72 -19.031 -15.517 -3.566 1.00 30.83 O ANISOU 477 O GLU A 72 3559 4138 4017 -294 185 300 O ATOM 478 CB GLU A 72 -22.221 -15.865 -3.213 1.00 36.35 C ANISOU 478 CB GLU A 72 4082 4894 4833 -332 221 516 C ATOM 479 CG GLU A 72 -22.312 -14.762 -2.299 1.00 40.40 C ANISOU 479 CG GLU A 72 4600 5463 5284 -237 291 528 C ATOM 480 CD GLU A 72 -23.543 -14.920 -1.442 1.00 45.73 C ANISOU 480 CD GLU A 72 5195 6183 5995 -201 360 655 C ATOM 481 OE1 GLU A 72 -23.493 -15.788 -0.565 1.00 48.53 O ANISOU 481 OE1 GLU A 72 5545 6538 6353 -189 395 711 O ATOM 482 OE2 GLU A 72 -24.527 -14.189 -1.668 1.00 45.87 O ANISOU 482 OE2 GLU A 72 5149 6234 6043 -185 383 707 O ATOM 0 H GLU A 72 -22.686 -16.272 -5.546 1.00 34.16 H new ATOM 0 HA GLU A 72 -21.126 -14.642 -4.535 1.00 34.41 H new ATOM 0 HB2 GLU A 72 -23.104 -16.068 -3.559 1.00 36.35 H new ATOM 0 HB3 GLU A 72 -21.915 -16.652 -2.736 1.00 36.35 H new ATOM 0 HG2 GLU A 72 -21.520 -14.726 -1.741 1.00 40.40 H new ATOM 0 HG3 GLU A 72 -22.352 -13.926 -2.789 1.00 40.40 H new ATOM 483 N ASP A 73 -19.900 -17.535 -4.088 1.00 30.64 N ANISOU 483 N ASP A 73 3491 4044 4106 -398 145 361 N ATOM 484 CA ASP A 73 -18.672 -18.215 -3.714 1.00 29.34 C ANISOU 484 CA ASP A 73 3377 3835 3933 -379 153 321 C ATOM 485 C ASP A 73 -17.507 -17.770 -4.573 1.00 28.48 C ANISOU 485 C ASP A 73 3328 3707 3784 -372 135 221 C ATOM 486 O ASP A 73 -16.320 -17.702 -4.094 1.00 27.26 O ANISOU 486 O ASP A 73 3207 3543 3606 -328 152 194 O ATOM 487 CB ASP A 73 -18.790 -19.750 -3.770 1.00 30.47 C ANISOU 487 CB ASP A 73 3515 3905 4157 -432 129 349 C ATOM 488 CG ASP A 73 -19.706 -20.317 -2.665 1.00 33.67 C ANISOU 488 CG ASP A 73 3852 4329 4610 -429 157 473 C ATOM 489 OD1 ASP A 73 -20.293 -19.521 -1.901 1.00 32.01 O ANISOU 489 OD1 ASP A 73 3606 4195 4361 -380 205 531 O ATOM 490 OD2 ASP A 73 -19.819 -21.560 -2.570 1.00 37.57 O ANISOU 490 OD2 ASP A 73 4332 4759 5182 -472 135 513 O ATOM 0 H ASP A 73 -20.536 -18.043 -4.365 1.00 30.64 H new ATOM 0 HA ASP A 73 -18.508 -17.964 -2.791 1.00 29.34 H new ATOM 0 HB2 ASP A 73 -19.135 -20.013 -4.638 1.00 30.47 H new ATOM 0 HB3 ASP A 73 -17.907 -20.142 -3.686 1.00 30.47 H new ATOM 491 N ALA A 74 -17.771 -17.514 -5.844 1.00 27.08 N ANISOU 491 N ALA A 74 3163 3524 3602 -417 99 176 N ATOM 492 CA ALA A 74 -16.645 -17.108 -6.737 1.00 27.45 C ANISOU 492 CA ALA A 74 3263 3559 3608 -406 94 93 C ATOM 493 C ALA A 74 -16.124 -15.761 -6.304 1.00 25.04 C ANISOU 493 C ALA A 74 2951 3306 3256 -349 113 89 C ATOM 494 O ALA A 74 -14.902 -15.501 -6.300 1.00 26.56 O ANISOU 494 O ALA A 74 3170 3488 3433 -316 123 55 O ATOM 495 CB ALA A 74 -17.054 -17.085 -8.192 1.00 27.08 C ANISOU 495 CB ALA A 74 3239 3503 3546 -463 52 50 C ATOM 0 H ALA A 74 -18.546 -17.560 -6.213 1.00 27.08 H new ATOM 0 HA ALA A 74 -15.940 -17.769 -6.657 1.00 27.45 H new ATOM 0 HB1 ALA A 74 -16.297 -16.817 -8.737 1.00 27.08 H new ATOM 0 HB2 ALA A 74 -17.348 -17.970 -8.460 1.00 27.08 H new ATOM 0 HB3 ALA A 74 -17.780 -16.453 -8.314 1.00 27.08 H new ATOM 496 N PHE A 75 -17.038 -14.910 -5.887 1.00 25.75 N ANISOU 496 N PHE A 75 3004 3445 3334 -335 116 130 N ATOM 497 CA PHE A 75 -16.689 -13.555 -5.489 1.00 24.77 C ANISOU 497 CA PHE A 75 2883 3358 3169 -282 124 121 C ATOM 498 C PHE A 75 -15.971 -13.511 -4.134 1.00 25.90 C ANISOU 498 C PHE A 75 3050 3500 3291 -224 145 131 C ATOM 499 O PHE A 75 -14.991 -12.802 -3.962 1.00 26.09 O ANISOU 499 O PHE A 75 3101 3519 3291 -194 129 101 O ATOM 500 CB PHE A 75 -17.871 -12.624 -5.530 1.00 27.37 C ANISOU 500 CB PHE A 75 3170 3730 3497 -276 126 157 C ATOM 501 CG PHE A 75 -17.567 -11.266 -5.071 1.00 26.00 C ANISOU 501 CG PHE A 75 3010 3579 3290 -217 132 142 C ATOM 502 CD1 PHE A 75 -16.835 -10.417 -5.853 1.00 28.98 C ANISOU 502 CD1 PHE A 75 3401 3952 3657 -222 100 101 C ATOM 503 CD2 PHE A 75 -18.013 -10.823 -3.830 1.00 26.25 C ANISOU 503 CD2 PHE A 75 3045 3631 3298 -153 169 171 C ATOM 504 CE1 PHE A 75 -16.503 -9.139 -5.407 1.00 28.90 C ANISOU 504 CE1 PHE A 75 3405 3945 3629 -173 90 87 C ATOM 505 CE2 PHE A 75 -17.693 -9.578 -3.379 1.00 27.65 C ANISOU 505 CE2 PHE A 75 3252 3811 3440 -97 165 143 C ATOM 506 CZ PHE A 75 -16.952 -8.698 -4.228 1.00 26.10 C ANISOU 506 CZ PHE A 75 3066 3599 3252 -113 117 101 C ATOM 0 H PHE A 75 -17.876 -15.095 -5.825 1.00 25.75 H new ATOM 0 HA PHE A 75 -16.057 -13.232 -6.150 1.00 24.77 H new ATOM 0 HB2 PHE A 75 -18.208 -12.582 -6.439 1.00 27.37 H new ATOM 0 HB3 PHE A 75 -18.581 -12.991 -4.981 1.00 27.37 H new ATOM 0 HD1 PHE A 75 -16.554 -10.696 -6.695 1.00 28.98 H new ATOM 0 HD2 PHE A 75 -18.535 -11.383 -3.302 1.00 26.25 H new ATOM 0 HE1 PHE A 75 -15.966 -8.590 -5.932 1.00 28.90 H new ATOM 0 HE2 PHE A 75 -17.953 -9.304 -2.529 1.00 27.65 H new ATOM 0 HZ PHE A 75 -16.783 -7.823 -3.961 1.00 26.10 H new ATOM 507 N ILE A 76 -16.404 -14.342 -3.222 1.00 24.19 N ANISOU 507 N ILE A 76 2824 3282 3085 -216 170 179 N ATOM 508 CA ILE A 76 -15.767 -14.457 -1.935 1.00 23.89 C ANISOU 508 CA ILE A 76 2815 3246 3016 -168 183 197 C ATOM 509 C ILE A 76 -14.389 -15.038 -2.107 1.00 23.55 C ANISOU 509 C ILE A 76 2797 3155 2996 -178 160 168 C ATOM 510 O ILE A 76 -13.430 -14.572 -1.498 1.00 24.10 O ANISOU 510 O ILE A 76 2896 3221 3039 -145 139 158 O ATOM 511 CB ILE A 76 -16.626 -15.279 -1.011 1.00 25.51 C ANISOU 511 CB ILE A 76 2995 3467 3229 -160 222 273 C ATOM 512 CG1 ILE A 76 -17.816 -14.412 -0.588 1.00 30.55 C ANISOU 512 CG1 ILE A 76 3611 4161 3834 -119 262 309 C ATOM 513 CG2 ILE A 76 -15.868 -15.745 0.229 1.00 28.92 C ANISOU 513 CG2 ILE A 76 3461 3895 3630 -123 228 300 C ATOM 514 CD1 ILE A 76 -18.752 -15.107 0.227 1.00 37.82 C ANISOU 514 CD1 ILE A 76 4492 5109 4767 -107 313 400 C ATOM 0 H ILE A 76 -17.081 -14.861 -3.330 1.00 24.19 H new ATOM 0 HA ILE A 76 -15.667 -13.581 -1.530 1.00 23.89 H new ATOM 0 HB ILE A 76 -16.913 -16.077 -1.481 1.00 25.51 H new ATOM 0 HG12 ILE A 76 -17.489 -13.637 -0.106 1.00 30.55 H new ATOM 0 HG13 ILE A 76 -18.268 -14.083 -1.381 1.00 30.55 H new ATOM 0 HG21 ILE A 76 -16.459 -16.269 0.792 1.00 28.92 H new ATOM 0 HG22 ILE A 76 -15.112 -16.290 -0.040 1.00 28.92 H new ATOM 0 HG23 ILE A 76 -15.551 -14.973 0.724 1.00 28.92 H new ATOM 0 HD11 ILE A 76 -19.480 -14.512 0.463 1.00 37.82 H new ATOM 0 HD12 ILE A 76 -19.103 -15.869 -0.260 1.00 37.82 H new ATOM 0 HD13 ILE A 76 -18.312 -15.415 1.035 1.00 37.82 H new ATOM 515 N THR A 77 -14.257 -15.982 -3.008 1.00 23.82 N ANISOU 515 N THR A 77 2820 3146 3081 -222 158 153 N ATOM 516 CA THR A 77 -12.963 -16.591 -3.280 1.00 23.77 C ANISOU 516 CA THR A 77 2832 3091 3109 -222 152 129 C ATOM 517 C THR A 77 -11.967 -15.533 -3.811 1.00 23.01 C ANISOU 517 C THR A 77 2746 3002 2995 -203 135 91 C ATOM 518 O THR A 77 -10.877 -15.370 -3.248 1.00 22.27 O ANISOU 518 O THR A 77 2657 2895 2910 -176 119 104 O ATOM 519 CB THR A 77 -13.037 -17.759 -4.265 1.00 23.20 C ANISOU 519 CB THR A 77 2762 2961 3088 -263 160 105 C ATOM 520 OG1 THR A 77 -13.834 -18.828 -3.714 1.00 25.72 O ANISOU 520 OG1 THR A 77 3066 3258 3448 -287 165 154 O ATOM 521 CG2 THR A 77 -11.644 -18.301 -4.547 1.00 25.52 C ANISOU 521 CG2 THR A 77 3072 3202 3419 -244 173 82 C ATOM 0 H THR A 77 -14.905 -16.292 -3.481 1.00 23.82 H new ATOM 0 HA THR A 77 -12.653 -16.949 -2.434 1.00 23.77 H new ATOM 0 HB THR A 77 -13.439 -17.433 -5.085 1.00 23.20 H new ATOM 0 HG1 THR A 77 -14.647 -18.618 -3.747 1.00 25.72 H new ATOM 0 HG21 THR A 77 -11.705 -19.040 -5.172 1.00 25.52 H new ATOM 0 HG22 THR A 77 -11.095 -17.599 -4.929 1.00 25.52 H new ATOM 0 HG23 THR A 77 -11.243 -18.610 -3.720 1.00 25.52 H new ATOM 522 N TRP A 78 -12.403 -14.766 -4.815 1.00 22.83 N ANISOU 522 N TRP A 78 2718 3003 2951 -221 129 59 N ATOM 523 CA TRP A 78 -11.625 -13.623 -5.364 1.00 23.63 C ANISOU 523 CA TRP A 78 2818 3118 3040 -207 111 38 C ATOM 524 C TRP A 78 -11.233 -12.638 -4.291 1.00 22.83 C ANISOU 524 C TRP A 78 2724 3030 2919 -171 77 55 C ATOM 525 O TRP A 78 -10.070 -12.202 -4.211 1.00 23.00 O ANISOU 525 O TRP A 78 2742 3033 2960 -157 49 61 O ATOM 526 CB TRP A 78 -12.387 -12.924 -6.537 1.00 23.33 C ANISOU 526 CB TRP A 78 2771 3112 2979 -236 106 16 C ATOM 527 CG TRP A 78 -11.650 -11.775 -7.016 1.00 25.96 C ANISOU 527 CG TRP A 78 3095 3459 3308 -223 87 11 C ATOM 528 CD1 TRP A 78 -10.546 -11.762 -7.828 1.00 26.44 C ANISOU 528 CD1 TRP A 78 3150 3507 3385 -220 99 6 C ATOM 529 CD2 TRP A 78 -11.890 -10.453 -6.652 1.00 26.44 C ANISOU 529 CD2 TRP A 78 3146 3541 3356 -206 54 21 C ATOM 530 NE1 TRP A 78 -10.127 -10.467 -8.020 1.00 25.21 N ANISOU 530 NE1 TRP A 78 2973 3369 3234 -211 68 23 N ATOM 531 CE2 TRP A 78 -10.910 -9.654 -7.279 1.00 26.85 C ANISOU 531 CE2 TRP A 78 3183 3591 3426 -203 34 26 C ATOM 532 CE3 TRP A 78 -12.834 -9.846 -5.824 1.00 31.59 C ANISOU 532 CE3 TRP A 78 3803 4212 3988 -186 44 29 C ATOM 533 CZ2 TRP A 78 -10.891 -8.283 -7.160 1.00 31.10 C ANISOU 533 CZ2 TRP A 78 3709 4135 3969 -192 -7 36 C ATOM 534 CZ3 TRP A 78 -12.790 -8.471 -5.676 1.00 34.27 C ANISOU 534 CZ3 TRP A 78 4142 4554 4323 -163 10 27 C ATOM 535 CH2 TRP A 78 -11.816 -7.705 -6.353 1.00 31.73 C ANISOU 535 CH2 TRP A 78 3805 4221 4028 -171 -23 29 C ATOM 0 H TRP A 78 -13.160 -14.887 -5.205 1.00 22.83 H new ATOM 0 HA TRP A 78 -10.802 -13.987 -5.726 1.00 23.63 H new ATOM 0 HB2 TRP A 78 -12.520 -13.554 -7.263 1.00 23.33 H new ATOM 0 HB3 TRP A 78 -13.267 -12.647 -6.237 1.00 23.33 H new ATOM 0 HD1 TRP A 78 -10.142 -12.515 -8.194 1.00 26.44 H new ATOM 0 HE1 TRP A 78 -9.478 -10.217 -8.525 1.00 25.21 H new ATOM 0 HE3 TRP A 78 -13.477 -10.353 -5.382 1.00 31.59 H new ATOM 0 HZ2 TRP A 78 -10.265 -7.770 -7.618 1.00 31.10 H new ATOM 0 HZ3 TRP A 78 -13.408 -8.047 -5.125 1.00 34.27 H new ATOM 0 HH2 TRP A 78 -11.808 -6.782 -6.243 1.00 31.73 H new ATOM 536 N LEU A 79 -12.172 -12.270 -3.412 1.00 25.03 N ANISOU 536 N LEU A 79 3014 3335 3159 -152 76 68 N ATOM 537 CA LEU A 79 -11.907 -11.278 -2.395 1.00 25.34 C ANISOU 537 CA LEU A 79 3085 3381 3161 -112 41 68 C ATOM 538 C LEU A 79 -10.878 -11.748 -1.488 1.00 26.25 C ANISOU 538 C LEU A 79 3223 3471 3280 -99 14 89 C ATOM 539 O LEU A 79 -9.931 -11.020 -1.217 1.00 27.39 O ANISOU 539 O LEU A 79 3383 3595 3429 -89 -43 86 O ATOM 540 CB LEU A 79 -13.124 -10.968 -1.458 1.00 26.38 C ANISOU 540 CB LEU A 79 3238 3547 3236 -76 68 81 C ATOM 541 CG LEU A 79 -14.067 -9.847 -1.813 1.00 29.91 C ANISOU 541 CG LEU A 79 3676 4018 3668 -60 76 66 C ATOM 542 CD1 LEU A 79 -15.162 -9.829 -0.789 1.00 28.66 C ANISOU 542 CD1 LEU A 79 3533 3892 3461 -11 126 93 C ATOM 543 CD2 LEU A 79 -13.395 -8.420 -1.983 1.00 27.76 C ANISOU 543 CD2 LEU A 79 3427 3723 3394 -44 18 30 C ATOM 0 H LEU A 79 -12.970 -12.591 -3.397 1.00 25.03 H new ATOM 0 HA LEU A 79 -11.663 -10.487 -2.901 1.00 25.34 H new ATOM 0 HB2 LEU A 79 -13.651 -11.780 -1.387 1.00 26.38 H new ATOM 0 HB3 LEU A 79 -12.770 -10.782 -0.574 1.00 26.38 H new ATOM 0 HG LEU A 79 -14.415 -10.030 -2.700 1.00 29.91 H new ATOM 0 HD11 LEU A 79 -15.785 -9.115 -0.994 1.00 28.66 H new ATOM 0 HD12 LEU A 79 -15.630 -10.679 -0.800 1.00 28.66 H new ATOM 0 HD13 LEU A 79 -14.780 -9.682 0.091 1.00 28.66 H new ATOM 0 HD21 LEU A 79 -14.075 -7.767 -2.210 1.00 27.76 H new ATOM 0 HD22 LEU A 79 -12.965 -8.164 -1.152 1.00 27.76 H new ATOM 0 HD23 LEU A 79 -12.733 -8.456 -2.691 1.00 27.76 H new ATOM 544 N ALA A 80 -11.061 -12.979 -0.994 1.00 24.82 N ANISOU 544 N ALA A 80 3037 3285 3106 -102 45 120 N ATOM 545 CA ALA A 80 -10.149 -13.596 -0.057 1.00 25.57 C ANISOU 545 CA ALA A 80 3147 3357 3209 -92 18 156 C ATOM 546 C ALA A 80 -8.756 -13.703 -0.616 1.00 24.99 C ANISOU 546 C ALA A 80 3047 3241 3205 -106 -10 162 C ATOM 547 O ALA A 80 -7.856 -13.329 0.080 1.00 24.55 O ANISOU 547 O ALA A 80 3006 3170 3151 -95 -71 184 O ATOM 548 CB ALA A 80 -10.647 -14.968 0.354 1.00 27.09 C ANISOU 548 CB ALA A 80 3326 3547 3418 -100 62 199 C ATOM 0 H ALA A 80 -11.731 -13.476 -1.204 1.00 24.82 H new ATOM 0 HA ALA A 80 -10.114 -13.023 0.725 1.00 25.57 H new ATOM 0 HB1 ALA A 80 -10.023 -15.365 0.982 1.00 27.09 H new ATOM 0 HB2 ALA A 80 -11.517 -14.884 0.774 1.00 27.09 H new ATOM 0 HB3 ALA A 80 -10.720 -15.534 -0.430 1.00 27.09 H new ATOM 549 N LEU A 81 -8.561 -14.215 -1.834 1.00 23.95 N ANISOU 549 N LEU A 81 2879 3090 3131 -126 29 147 N ATOM 550 CA LEU A 81 -7.228 -14.279 -2.453 1.00 24.85 C ANISOU 550 CA LEU A 81 2959 3168 3314 -125 23 161 C ATOM 551 C LEU A 81 -6.640 -12.872 -2.735 1.00 25.43 C ANISOU 551 C LEU A 81 3021 3250 3388 -123 -28 159 C ATOM 552 O LEU A 81 -5.402 -12.664 -2.663 1.00 26.36 O ANISOU 552 O LEU A 81 3107 3341 3565 -119 -65 201 O ATOM 553 CB LEU A 81 -7.265 -15.084 -3.761 1.00 23.78 C ANISOU 553 CB LEU A 81 2806 3013 3216 -135 91 134 C ATOM 554 CG LEU A 81 -7.690 -16.543 -3.663 1.00 29.51 C ANISOU 554 CG LEU A 81 3540 3705 3966 -142 133 135 C ATOM 555 CD1 LEU A 81 -7.823 -17.239 -5.014 1.00 32.78 C ANISOU 555 CD1 LEU A 81 3964 4091 4399 -152 188 87 C ATOM 556 CD2 LEU A 81 -6.690 -17.283 -2.757 1.00 30.77 C ANISOU 556 CD2 LEU A 81 3679 3823 4186 -122 120 194 C ATOM 0 H LEU A 81 -9.192 -14.534 -2.324 1.00 23.95 H new ATOM 0 HA LEU A 81 -6.652 -14.725 -1.813 1.00 24.85 H new ATOM 0 HB2 LEU A 81 -7.868 -14.635 -4.374 1.00 23.78 H new ATOM 0 HB3 LEU A 81 -6.381 -15.054 -4.159 1.00 23.78 H new ATOM 0 HG LEU A 81 -8.581 -16.565 -3.281 1.00 29.51 H new ATOM 0 HD11 LEU A 81 -8.095 -18.160 -4.878 1.00 32.78 H new ATOM 0 HD12 LEU A 81 -8.489 -16.781 -5.550 1.00 32.78 H new ATOM 0 HD13 LEU A 81 -6.969 -17.219 -5.474 1.00 32.78 H new ATOM 0 HD21 LEU A 81 -6.947 -18.215 -2.684 1.00 30.77 H new ATOM 0 HD22 LEU A 81 -5.801 -17.222 -3.139 1.00 30.77 H new ATOM 0 HD23 LEU A 81 -6.691 -16.878 -1.875 1.00 30.77 H new ATOM 557 N THR A 82 -7.481 -11.888 -3.040 1.00 23.85 N ANISOU 557 N THR A 82 2840 3083 3138 -128 -36 122 N ATOM 558 CA THR A 82 -6.931 -10.521 -3.226 1.00 25.09 C ANISOU 558 CA THR A 82 2987 3237 3308 -129 -97 126 C ATOM 559 C THR A 82 -6.371 -9.928 -1.886 1.00 26.38 C ANISOU 559 C THR A 82 3186 3376 3459 -118 -190 146 C ATOM 560 O THR A 82 -5.245 -9.403 -1.825 1.00 27.57 O ANISOU 560 O THR A 82 3312 3495 3668 -127 -258 184 O ATOM 561 CB THR A 82 -8.000 -9.581 -3.813 1.00 24.64 C ANISOU 561 CB THR A 82 2939 3212 3208 -133 -88 88 C ATOM 562 OG1 THR A 82 -8.437 -10.091 -5.079 1.00 23.54 O ANISOU 562 OG1 THR A 82 2775 3094 3074 -152 -23 74 O ATOM 563 CG2 THR A 82 -7.496 -8.184 -4.004 1.00 26.54 C ANISOU 563 CG2 THR A 82 3169 3439 3473 -136 -154 96 C ATOM 0 H THR A 82 -8.331 -11.969 -3.142 1.00 23.85 H new ATOM 0 HA THR A 82 -6.192 -10.592 -3.851 1.00 25.09 H new ATOM 0 HB THR A 82 -8.732 -9.547 -3.178 1.00 24.64 H new ATOM 0 HG1 THR A 82 -8.947 -10.747 -4.956 1.00 23.54 H new ATOM 0 HG21 THR A 82 -8.203 -7.633 -4.374 1.00 26.54 H new ATOM 0 HG22 THR A 82 -7.217 -7.821 -3.149 1.00 26.54 H new ATOM 0 HG23 THR A 82 -6.741 -8.193 -4.613 1.00 26.54 H new ATOM 564 N VAL A 83 -7.167 -10.017 -0.829 1.00 26.47 N ANISOU 564 N VAL A 83 3259 3403 3394 -98 -196 125 N ATOM 565 CA VAL A 83 -6.774 -9.503 0.477 1.00 28.25 C ANISOU 565 CA VAL A 83 3547 3610 3577 -84 -284 131 C ATOM 566 C VAL A 83 -5.684 -10.321 1.163 1.00 26.76 C ANISOU 566 C VAL A 83 3346 3395 3426 -94 -328 190 C ATOM 567 O VAL A 83 -4.901 -9.802 1.977 1.00 26.23 O ANISOU 567 O VAL A 83 3314 3297 3355 -100 -434 210 O ATOM 568 CB VAL A 83 -8.039 -9.433 1.380 1.00 28.88 C ANISOU 568 CB VAL A 83 3699 3725 3546 -46 -251 96 C ATOM 569 CG1 VAL A 83 -7.662 -9.160 2.792 1.00 33.74 C ANISOU 569 CG1 VAL A 83 4401 4328 4090 -25 -330 98 C ATOM 570 CG2 VAL A 83 -8.926 -8.301 0.838 1.00 28.56 C ANISOU 570 CG2 VAL A 83 3670 3697 3484 -31 -234 46 C ATOM 0 H VAL A 83 -7.948 -10.376 -0.847 1.00 26.47 H new ATOM 0 HA VAL A 83 -6.390 -8.623 0.337 1.00 28.25 H new ATOM 0 HB VAL A 83 -8.512 -10.279 1.364 1.00 28.88 H new ATOM 0 HG11 VAL A 83 -8.462 -9.120 3.339 1.00 33.74 H new ATOM 0 HG12 VAL A 83 -7.085 -9.869 3.116 1.00 33.74 H new ATOM 0 HG13 VAL A 83 -7.193 -8.313 2.844 1.00 33.74 H new ATOM 0 HG21 VAL A 83 -9.727 -8.229 1.380 1.00 28.56 H new ATOM 0 HG22 VAL A 83 -8.438 -7.463 0.871 1.00 28.56 H new ATOM 0 HG23 VAL A 83 -9.174 -8.495 -0.080 1.00 28.56 H new ATOM 571 N ALA A 84 -5.558 -11.584 0.793 1.00 26.73 N ANISOU 571 N ALA A 84 3368 3230 3555 -23 -181 339 N ATOM 572 CA ALA A 84 -4.429 -12.366 1.283 1.00 26.91 C ANISOU 572 CA ALA A 84 3389 3211 3623 -31 -221 415 C ATOM 573 C ALA A 84 -3.082 -11.848 0.899 1.00 27.30 C ANISOU 573 C ALA A 84 3426 3280 3667 -21 -285 427 C ATOM 574 O ALA A 84 -2.081 -12.104 1.608 1.00 28.94 O ANISOU 574 O ALA A 84 3645 3453 3896 -29 -349 491 O ATOM 575 CB ALA A 84 -4.550 -13.907 0.853 1.00 25.27 C ANISOU 575 CB ALA A 84 3088 2935 3575 -23 -193 393 C ATOM 0 H ALA A 84 -6.099 -12.003 0.272 1.00 26.73 H new ATOM 0 HA ALA A 84 -4.488 -12.279 2.247 1.00 26.91 H new ATOM 0 HB1 ALA A 84 -3.786 -14.399 1.193 1.00 25.27 H new ATOM 0 HB2 ALA A 84 -5.366 -14.283 1.220 1.00 25.27 H new ATOM 0 HB3 ALA A 84 -4.571 -13.972 -0.115 1.00 25.27 H new ATOM 576 N GLN A 85 -2.976 -11.128 -0.216 1.00 28.71 N ANISOU 576 N GLN A 85 3577 3499 3832 10 -264 371 N ATOM 577 CA GLN A 85 -1.667 -10.566 -0.575 1.00 29.83 C ANISOU 577 CA GLN A 85 3691 3626 4014 23 -281 397 C ATOM 578 C GLN A 85 -1.187 -9.571 0.488 1.00 28.54 C ANISOU 578 C GLN A 85 3567 3453 3822 -11 -342 434 C ATOM 579 O GLN A 85 -1.934 -8.656 0.890 1.00 27.12 O ANISOU 579 O GLN A 85 3446 3310 3546 -23 -331 418 O ATOM 580 CB GLN A 85 -1.735 -9.839 -1.966 1.00 29.93 C ANISOU 580 CB GLN A 85 3695 3677 4000 92 -202 354 C ATOM 581 CG GLN A 85 -2.139 -10.758 -3.109 1.00 36.47 C ANISOU 581 CG GLN A 85 4499 4522 4834 162 -172 285 C ATOM 582 CD GLN A 85 -2.456 -10.004 -4.387 1.00 40.44 C ANISOU 582 CD GLN A 85 5040 5079 5243 270 -105 241 C ATOM 583 OE1 GLN A 85 -3.623 -9.755 -4.721 1.00 41.45 O ANISOU 583 OE1 GLN A 85 5200 5262 5284 312 -118 170 O ATOM 584 NE2 GLN A 85 -1.412 -9.620 -5.099 1.00 46.75 N ANISOU 584 NE2 GLN A 85 5840 5854 6070 330 -26 288 N ATOM 0 H GLN A 85 -3.619 -10.956 -0.761 1.00 28.71 H new ATOM 0 HA GLN A 85 -1.039 -11.303 -0.628 1.00 29.83 H new ATOM 0 HB2 GLN A 85 -2.368 -9.106 -1.910 1.00 29.93 H new ATOM 0 HB3 GLN A 85 -0.868 -9.451 -2.163 1.00 29.93 H new ATOM 0 HG2 GLN A 85 -1.422 -11.389 -3.280 1.00 36.47 H new ATOM 0 HG3 GLN A 85 -2.915 -11.276 -2.843 1.00 36.47 H new ATOM 0 HE21 GLN A 85 -0.617 -9.812 -4.834 1.00 46.75 H new ATOM 0 HE22 GLN A 85 -1.528 -9.178 -5.828 1.00 46.75 H new ATOM 585 N SER A 86 0.077 -9.652 0.869 1.00 29.01 N ANISOU 585 N SER A 86 3584 3456 3980 -20 -415 464 N ATOM 586 CA SER A 86 0.564 -8.830 1.948 1.00 30.64 C ANISOU 586 CA SER A 86 3819 3643 4177 -38 -518 464 C ATOM 587 C SER A 86 0.557 -7.350 1.513 1.00 30.68 C ANISOU 587 C SER A 86 3803 3651 4200 -39 -466 429 C ATOM 588 O SER A 86 0.559 -6.447 2.360 1.00 32.91 O ANISOU 588 O SER A 86 4120 3931 4451 -54 -537 399 O ATOM 589 CB SER A 86 2.025 -9.206 2.250 1.00 33.81 C ANISOU 589 CB SER A 86 4141 3964 4739 -34 -626 478 C ATOM 590 OG SER A 86 2.757 -9.109 0.999 1.00 36.58 O ANISOU 590 OG SER A 86 4380 4265 5252 -22 -528 478 O ATOM 0 H SER A 86 0.662 -10.174 0.516 1.00 29.01 H new ATOM 0 HA SER A 86 -0.001 -8.965 2.725 1.00 30.64 H new ATOM 0 HB2 SER A 86 2.402 -8.609 2.915 1.00 33.81 H new ATOM 0 HB3 SER A 86 2.080 -10.105 2.611 1.00 33.81 H new ATOM 0 HG SER A 86 3.563 -9.307 1.129 1.00 36.58 H new ATOM 591 N ASP A 87 0.572 -7.083 0.206 1.00 27.49 N ANISOU 591 N ASP A 87 3350 3247 3845 -7 -339 431 N ATOM 592 CA ASP A 87 0.687 -5.667 -0.216 1.00 27.71 C ANISOU 592 CA ASP A 87 3353 3254 3918 5 -263 423 C ATOM 593 C ASP A 87 -0.655 -5.050 -0.590 1.00 24.93 C ANISOU 593 C ASP A 87 3079 2984 3408 27 -184 408 C ATOM 594 O ASP A 87 -0.726 -3.932 -1.166 1.00 24.04 O ANISOU 594 O ASP A 87 2957 2861 3314 60 -87 416 O ATOM 595 CB ASP A 87 1.729 -5.562 -1.302 1.00 30.05 C ANISOU 595 CB ASP A 87 3557 3472 4388 52 -151 459 C ATOM 596 CG ASP A 87 1.318 -6.237 -2.595 1.00 33.40 C ANISOU 596 CG ASP A 87 4016 3945 4728 130 -31 476 C ATOM 597 OD1 ASP A 87 2.115 -6.120 -3.527 1.00 43.36 O ANISOU 597 OD1 ASP A 87 5231 5144 6101 192 92 517 O ATOM 598 OD2 ASP A 87 0.251 -6.839 -2.717 1.00 36.70 O ANISOU 598 OD2 ASP A 87 4504 4450 4991 143 -54 443 O ATOM 0 H ASP A 87 0.520 -7.663 -0.427 1.00 27.49 H new ATOM 0 HA ASP A 87 0.984 -5.134 0.538 1.00 27.71 H new ATOM 0 HB2 ASP A 87 1.911 -4.626 -1.477 1.00 30.05 H new ATOM 0 HB3 ASP A 87 2.557 -5.958 -0.987 1.00 30.05 H new ATOM 599 N THR A 88 -1.738 -5.760 -0.268 1.00 24.29 N ANISOU 599 N THR A 88 3065 2968 3195 15 -214 389 N ATOM 600 CA THR A 88 -3.091 -5.273 -0.586 1.00 25.05 C ANISOU 600 CA THR A 88 3217 3130 3171 36 -156 359 C ATOM 601 C THR A 88 -3.967 -5.227 0.701 1.00 26.60 C ANISOU 601 C THR A 88 3480 3345 3279 -18 -207 346 C ATOM 602 O THR A 88 -3.912 -6.152 1.576 1.00 28.01 O ANISOU 602 O THR A 88 3687 3506 3448 -45 -264 365 O ATOM 603 CB THR A 88 -3.729 -6.193 -1.651 1.00 25.46 C ANISOU 603 CB THR A 88 3263 3221 3188 98 -120 327 C ATOM 604 OG1 THR A 88 -2.958 -6.115 -2.851 1.00 22.83 O ANISOU 604 OG1 THR A 88 2902 2876 2894 178 -51 344 O ATOM 605 CG2 THR A 88 -5.104 -5.738 -1.962 1.00 24.94 C ANISOU 605 CG2 THR A 88 3234 3211 3031 129 -93 278 C ATOM 0 H THR A 88 -1.716 -6.521 0.132 1.00 24.29 H new ATOM 0 HA THR A 88 -3.034 -4.372 -0.941 1.00 25.05 H new ATOM 0 HB THR A 88 -3.752 -7.100 -1.309 1.00 25.46 H new ATOM 0 HG1 THR A 88 -2.199 -6.449 -2.719 1.00 22.83 H new ATOM 0 HG21 THR A 88 -5.495 -6.322 -2.631 1.00 24.94 H new ATOM 0 HG22 THR A 88 -5.644 -5.763 -1.156 1.00 24.94 H new ATOM 0 HG23 THR A 88 -5.075 -4.830 -2.303 1.00 24.94 H new ATOM 606 N ALA A 89 -4.724 -4.136 0.865 1.00 23.58 N ANISOU 606 N ALA A 89 3135 2987 2835 -22 -170 326 N ATOM 607 CA ALA A 89 -5.679 -4.026 1.977 1.00 24.86 C ANISOU 607 CA ALA A 89 3373 3161 2909 -58 -179 315 C ATOM 608 C ALA A 89 -6.933 -3.388 1.436 1.00 24.19 C ANISOU 608 C ALA A 89 3294 3112 2784 -40 -102 283 C ATOM 609 O ALA A 89 -6.836 -2.380 0.739 1.00 24.95 O ANISOU 609 O ALA A 89 3369 3220 2891 -10 -64 277 O ATOM 610 CB ALA A 89 -5.107 -3.162 3.109 1.00 25.10 C ANISOU 610 CB ALA A 89 3451 3169 2916 -85 -245 308 C ATOM 0 H ALA A 89 -4.700 -3.451 0.346 1.00 23.58 H new ATOM 0 HA ALA A 89 -5.863 -4.906 2.342 1.00 24.86 H new ATOM 0 HB1 ALA A 89 -5.753 -3.104 3.830 1.00 25.10 H new ATOM 0 HB2 ALA A 89 -4.288 -3.563 3.441 1.00 25.10 H new ATOM 0 HB3 ALA A 89 -4.917 -2.272 2.773 1.00 25.10 H new ATOM 611 N LEU A 90 -8.083 -3.967 1.719 1.00 22.65 N ANISOU 611 N LEU A 90 3117 2918 2570 -48 -70 266 N ATOM 612 CA LEU A 90 -9.339 -3.430 1.199 1.00 23.96 C ANISOU 612 CA LEU A 90 3267 3105 2731 -25 -16 219 C ATOM 613 C LEU A 90 -10.264 -3.029 2.327 1.00 22.56 C ANISOU 613 C LEU A 90 3148 2903 2518 -67 37 223 C ATOM 614 O LEU A 90 -10.120 -3.535 3.455 1.00 23.08 O ANISOU 614 O LEU A 90 3281 2937 2552 -94 44 265 O ATOM 615 CB LEU A 90 -10.080 -4.455 0.373 1.00 24.94 C ANISOU 615 CB LEU A 90 3323 3226 2925 12 -20 164 C ATOM 616 CG LEU A 90 -9.418 -4.958 -0.938 1.00 26.61 C ANISOU 616 CG LEU A 90 3489 3468 3153 86 -65 136 C ATOM 617 CD1 LEU A 90 -10.326 -6.064 -1.561 1.00 27.71 C ANISOU 617 CD1 LEU A 90 3555 3591 3383 126 -97 40 C ATOM 618 CD2 LEU A 90 -9.170 -3.819 -1.895 1.00 26.33 C ANISOU 618 CD2 LEU A 90 3473 3480 3050 163 -46 140 C ATOM 0 H LEU A 90 -8.166 -4.670 2.208 1.00 22.65 H new ATOM 0 HA LEU A 90 -9.101 -2.663 0.655 1.00 23.96 H new ATOM 0 HB2 LEU A 90 -10.245 -5.227 0.937 1.00 24.94 H new ATOM 0 HB3 LEU A 90 -10.945 -4.081 0.144 1.00 24.94 H new ATOM 0 HG LEU A 90 -8.548 -5.340 -0.743 1.00 26.61 H new ATOM 0 HD11 LEU A 90 -9.924 -6.388 -2.382 1.00 27.71 H new ATOM 0 HD12 LEU A 90 -10.418 -6.799 -0.934 1.00 27.71 H new ATOM 0 HD13 LEU A 90 -11.201 -5.693 -1.754 1.00 27.71 H new ATOM 0 HD21 LEU A 90 -8.757 -4.160 -2.704 1.00 26.33 H new ATOM 0 HD22 LEU A 90 -10.013 -3.394 -2.117 1.00 26.33 H new ATOM 0 HD23 LEU A 90 -8.581 -3.170 -1.480 1.00 26.33 H new ATOM 619 N TYR A 91 -11.156 -2.102 2.011 1.00 22.57 N ANISOU 619 N TYR A 91 3139 2918 2516 -54 80 188 N ATOM 620 CA TYR A 91 -12.098 -1.505 2.966 1.00 22.49 C ANISOU 620 CA TYR A 91 3182 2881 2482 -86 154 186 C ATOM 621 C TYR A 91 -13.446 -1.436 2.287 1.00 23.69 C ANISOU 621 C TYR A 91 3260 3021 2719 -61 195 128 C ATOM 622 O TYR A 91 -13.545 -1.259 1.060 1.00 23.31 O ANISOU 622 O TYR A 91 3150 3012 2694 0 146 83 O ATOM 623 CB TYR A 91 -11.670 -0.103 3.345 1.00 23.61 C ANISOU 623 CB TYR A 91 3374 3038 2557 -99 152 189 C ATOM 624 CG TYR A 91 -10.292 -0.085 3.994 1.00 24.52 C ANISOU 624 CG TYR A 91 3538 3152 2627 -114 74 212 C ATOM 625 CD1 TYR A 91 -10.144 -0.122 5.390 1.00 28.33 C ANISOU 625 CD1 TYR A 91 4130 3614 3020 -127 59 220 C ATOM 626 CD2 TYR A 91 -9.154 -0.083 3.220 1.00 20.91 C ANISOU 626 CD2 TYR A 91 3020 2703 2221 -97 16 221 C ATOM 627 CE1 TYR A 91 -8.876 -0.122 5.964 1.00 28.73 C ANISOU 627 CE1 TYR A 91 4215 3659 3039 -121 -54 216 C ATOM 628 CE2 TYR A 91 -7.888 -0.065 3.785 1.00 24.78 C ANISOU 628 CE2 TYR A 91 3522 3171 2722 -109 -69 225 C ATOM 629 CZ TYR A 91 -7.764 -0.176 5.148 1.00 30.38 C ANISOU 629 CZ TYR A 91 4329 3866 3346 -120 -124 215 C ATOM 630 OH TYR A 91 -6.544 -0.194 5.742 1.00 33.83 O ANISOU 630 OH TYR A 91 4776 4280 3796 -114 -248 196 O ATOM 0 H TYR A 91 -11.238 -1.789 1.214 1.00 22.57 H new ATOM 0 HA TYR A 91 -12.128 -2.042 3.773 1.00 22.49 H new ATOM 0 HB2 TYR A 91 -11.661 0.457 2.553 1.00 23.61 H new ATOM 0 HB3 TYR A 91 -12.320 0.279 3.956 1.00 23.61 H new ATOM 0 HD1 TYR A 91 -10.898 -0.147 5.934 1.00 28.33 H new ATOM 0 HD2 TYR A 91 -9.236 -0.094 2.294 1.00 20.91 H new ATOM 0 HE1 TYR A 91 -8.779 -0.086 6.888 1.00 28.73 H new ATOM 0 HE2 TYR A 91 -7.133 0.021 3.248 1.00 24.78 H new ATOM 0 HH TYR A 91 -6.608 -0.542 6.504 1.00 33.83 H new ATOM 631 N VAL A 92 -14.488 -1.574 3.106 1.00 24.07 N ANISOU 631 N VAL A 92 3320 3006 2817 -90 287 128 N ATOM 632 CA VAL A 92 -15.842 -1.445 2.704 1.00 24.65 C ANISOU 632 CA VAL A 92 3309 3041 3016 -75 331 64 C ATOM 633 C VAL A 92 -16.356 0.009 3.035 1.00 26.85 C ANISOU 633 C VAL A 92 3630 3327 3245 -84 388 62 C ATOM 634 O VAL A 92 -16.148 0.551 4.117 1.00 27.77 O ANISOU 634 O VAL A 92 3849 3430 3269 -120 453 108 O ATOM 635 CB VAL A 92 -16.724 -2.475 3.413 1.00 25.75 C ANISOU 635 CB VAL A 92 3411 3069 3303 -102 440 71 C ATOM 636 CG1 VAL A 92 -18.155 -2.225 3.015 1.00 26.71 C ANISOU 636 CG1 VAL A 92 3416 3126 3606 -88 480 -12 C ATOM 637 CG2 VAL A 92 -16.306 -3.894 3.007 1.00 25.69 C ANISOU 637 CG2 VAL A 92 3337 3037 3385 -91 389 61 C ATOM 0 H VAL A 92 -14.399 -1.753 3.943 1.00 24.07 H new ATOM 0 HA VAL A 92 -15.894 -1.603 1.748 1.00 24.65 H new ATOM 0 HB VAL A 92 -16.626 -2.392 4.374 1.00 25.75 H new ATOM 0 HG11 VAL A 92 -18.731 -2.870 3.455 1.00 26.71 H new ATOM 0 HG12 VAL A 92 -18.413 -1.328 3.280 1.00 26.71 H new ATOM 0 HG13 VAL A 92 -18.244 -2.316 2.053 1.00 26.71 H new ATOM 0 HG21 VAL A 92 -16.870 -4.540 3.461 1.00 25.69 H new ATOM 0 HG22 VAL A 92 -16.403 -3.998 2.048 1.00 25.69 H new ATOM 0 HG23 VAL A 92 -15.380 -4.042 3.256 1.00 25.69 H new ATOM 638 N VAL A 93 -17.005 0.618 2.047 1.00 27.03 N ANISOU 638 N VAL A 93 3575 3371 3322 -35 350 1 N ATOM 639 CA VAL A 93 -17.515 1.964 2.174 1.00 26.64 C ANISOU 639 CA VAL A 93 3544 3324 3252 -35 400 -1 C ATOM 640 C VAL A 93 -18.916 1.839 2.781 1.00 29.19 C ANISOU 640 C VAL A 93 3819 3550 3721 -63 506 -33 C ATOM 641 O VAL A 93 -19.774 1.209 2.182 1.00 30.48 O ANISOU 641 O VAL A 93 3862 3668 4050 -31 475 -105 O ATOM 642 CB VAL A 93 -17.587 2.617 0.823 1.00 26.31 C ANISOU 642 CB VAL A 93 3452 3343 3201 56 318 -36 C ATOM 643 CG1 VAL A 93 -18.192 4.054 0.979 1.00 28.30 C ANISOU 643 CG1 VAL A 93 3715 3583 3455 58 384 -30 C ATOM 644 CG2 VAL A 93 -16.091 2.716 0.235 1.00 25.13 C ANISOU 644 CG2 VAL A 93 3353 3264 2929 91 261 18 C ATOM 0 H VAL A 93 -17.159 0.254 1.283 1.00 27.03 H new ATOM 0 HA VAL A 93 -16.939 2.510 2.732 1.00 26.64 H new ATOM 0 HB VAL A 93 -18.147 2.101 0.222 1.00 26.31 H new ATOM 0 HG11 VAL A 93 -18.241 4.481 0.109 1.00 28.30 H new ATOM 0 HG12 VAL A 93 -19.082 3.991 1.358 1.00 28.30 H new ATOM 0 HG13 VAL A 93 -17.628 4.581 1.566 1.00 28.30 H new ATOM 0 HG21 VAL A 93 -16.114 3.136 -0.639 1.00 25.13 H new ATOM 0 HG22 VAL A 93 -15.542 3.246 0.834 1.00 25.13 H new ATOM 0 HG23 VAL A 93 -15.715 1.826 0.156 1.00 25.13 H new ATOM 645 N CYS A 94 -19.109 2.451 3.960 1.00 31.38 N ANISOU 645 N CYS A 94 4186 3787 3950 -113 630 9 N ATOM 646 CA CYS A 94 -20.404 2.546 4.645 1.00 33.69 C ANISOU 646 CA CYS A 94 4450 3972 4377 -136 780 -2 C ATOM 647 C CYS A 94 -20.683 4.008 4.923 1.00 33.70 C ANISOU 647 C CYS A 94 4496 3983 4324 -144 831 -6 C ATOM 648 O CYS A 94 -19.750 4.800 5.125 1.00 32.01 O ANISOU 648 O CYS A 94 4374 3836 3951 -151 791 16 O ATOM 649 CB CYS A 94 -20.344 1.783 5.957 1.00 34.63 C ANISOU 649 CB CYS A 94 4675 4019 4462 -166 922 70 C ATOM 650 SG CYS A 94 -19.853 0.043 5.808 1.00 42.20 S ANISOU 650 SG CYS A 94 5595 4953 5484 -159 887 99 S ATOM 0 H CYS A 94 -18.471 2.832 4.393 1.00 31.38 H new ATOM 0 HA CYS A 94 -21.105 2.167 4.093 1.00 33.69 H new ATOM 0 HB2 CYS A 94 -19.720 2.232 6.549 1.00 34.63 H new ATOM 0 HB3 CYS A 94 -21.216 1.824 6.380 1.00 34.63 H new ATOM 0 HG CYS A 94 -19.836 -0.463 6.896 1.00 42.20 H new ATOM 651 N ALA A 95 -21.953 4.401 4.905 1.00 35.69 N ANISOU 651 N ALA A 95 4664 4155 4739 -143 917 -45 N ATOM 652 CA ALA A 95 -22.375 5.644 5.593 1.00 36.27 C ANISOU 652 CA ALA A 95 4800 4201 4779 -164 1030 -38 C ATOM 653 C ALA A 95 -21.840 5.646 7.054 1.00 37.17 C ANISOU 653 C ALA A 95 5100 4300 4720 -193 1146 19 C ATOM 654 O ALA A 95 -21.717 4.579 7.684 1.00 38.51 O ANISOU 654 O ALA A 95 5331 4432 4869 -192 1211 66 O ATOM 655 CB ALA A 95 -23.906 5.738 5.584 1.00 38.16 C ANISOU 655 CB ALA A 95 4916 4319 5263 -164 1142 -81 C ATOM 0 H ALA A 95 -22.587 3.976 4.508 1.00 35.69 H new ATOM 0 HA ALA A 95 -22.009 6.413 5.128 1.00 36.27 H new ATOM 0 HB1 ALA A 95 -24.183 6.551 6.034 1.00 38.16 H new ATOM 0 HB2 ALA A 95 -24.224 5.752 4.668 1.00 38.16 H new ATOM 0 HB3 ALA A 95 -24.280 4.971 6.044 1.00 38.16 H new ATOM 656 N LYS A 96 -21.513 6.830 7.573 1.00 52.78 N ANISOU 656 N LYS A 96 7938 4890 7226 780 -594 -1079 N ATOM 657 CA LYS A 96 -21.026 6.992 8.945 1.00 56.87 C ANISOU 657 CA LYS A 96 9071 4906 7628 933 -1180 -1446 C ATOM 658 C LYS A 96 -21.895 6.225 9.930 1.00 56.32 C ANISOU 658 C LYS A 96 9157 5365 6875 1529 -980 -1492 C ATOM 659 O LYS A 96 -23.123 6.399 9.979 1.00 56.30 O ANISOU 659 O LYS A 96 9219 5935 6237 2122 -552 -1305 O ATOM 660 CB LYS A 96 -21.013 8.456 9.358 1.00 63.46 C ANISOU 660 CB LYS A 96 11009 4848 8253 1206 -1546 -1645 C ATOM 0 H LYS A 96 -21.568 7.568 7.135 1.00 52.78 H new ATOM 0 HA LYS A 96 -20.122 6.641 8.963 1.00 56.87 H new ATOM 661 N ASP A 97 -21.211 5.379 10.687 1.00 57.31 N ANISOU 661 N ASP A 97 9286 5433 7055 1427 -1243 -1670 N ATOM 662 CA ASP A 97 -21.758 4.555 11.748 1.00 59.46 C ANISOU 662 CA ASP A 97 9897 5996 6698 1925 -1039 -1695 C ATOM 663 C ASP A 97 -22.876 3.585 11.269 1.00 57.47 C ANISOU 663 C ASP A 97 9249 6509 6078 1666 -197 -1350 C ATOM 664 O ASP A 97 -23.712 3.157 12.052 1.00 61.38 O ANISOU 664 O ASP A 97 9984 7407 5929 1980 164 -1243 O ATOM 665 CB ASP A 97 -22.154 5.442 12.953 1.00 65.19 C ANISOU 665 CB ASP A 97 11513 6427 6829 2790 -1395 -1929 C ATOM 666 CG ASP A 97 -20.929 6.187 13.604 1.00 71.04 C ANISOU 666 CG ASP A 97 12811 6385 7796 2707 -2385 -2422 C ATOM 667 OD1 ASP A 97 -19.819 5.612 13.701 1.00 71.19 O ANISOU 667 OD1 ASP A 97 12399 6476 8172 2306 -2786 -2561 O ATOM 668 OD2 ASP A 97 -21.074 7.352 14.037 1.00 76.11 O ANISOU 668 OD2 ASP A 97 14382 6414 8120 3055 -2778 -2677 O ATOM 0 H ASP A 97 -20.364 5.265 10.587 1.00 57.31 H new ATOM 0 HA ASP A 97 -21.062 3.952 12.052 1.00 59.46 H new ATOM 0 HB2 ASP A 97 -22.807 6.098 12.663 1.00 65.19 H new ATOM 0 HB3 ASP A 97 -22.584 4.891 13.625 1.00 65.19 H new ATOM 669 N SER A 98 -22.883 3.238 9.988 1.00 55.07 N ANISOU 669 N SER A 98 8356 6454 6111 988 105 -1177 N ATOM 670 CA SER A 98 -23.744 2.144 9.456 1.00 55.12 C ANISOU 670 CA SER A 98 8088 7112 5742 328 775 -970 C ATOM 671 C SER A 98 -22.937 0.906 9.052 1.00 54.49 C ANISOU 671 C SER A 98 8345 6535 5821 -190 957 -986 C ATOM 672 O SER A 98 -21.717 0.998 8.818 1.00 53.40 O ANISOU 672 O SER A 98 8218 5899 6173 38 606 -1047 O ATOM 673 CB SER A 98 -24.590 2.646 8.281 1.00 55.13 C ANISOU 673 CB SER A 98 7329 7945 5670 58 1001 -792 C ATOM 674 OG SER A 98 -24.913 1.610 7.372 1.00 54.49 O ANISOU 674 OG SER A 98 6993 8266 5442 -912 1398 -732 O ATOM 0 H SER A 98 -22.395 3.620 9.391 1.00 55.07 H new ATOM 0 HA SER A 98 -24.335 1.873 10.176 1.00 55.12 H new ATOM 0 HB2 SER A 98 -25.408 3.043 8.620 1.00 55.13 H new ATOM 0 HB3 SER A 98 -24.108 3.346 7.813 1.00 55.13 H new ATOM 0 HG SER A 98 -25.377 1.922 6.745 1.00 54.49 H new ATOM 675 N ASP A 99 -23.619 -0.243 8.969 1.00 56.58 N ANISOU 675 N ASP A 99 8958 6988 5552 -890 1547 -896 N ATOM 676 CA AASP A 99 -23.036 -1.511 8.536 0.50 58.05 C ANISOU 676 CA AASP A 99 9950 6524 5582 -1307 1888 -893 C ATOM 677 CA BASP A 99 -22.955 -1.463 8.498 0.50 57.63 C ANISOU 677 CA BASP A 99 9867 6452 5577 -1261 1851 -896 C ATOM 678 C ASP A 99 -23.436 -1.878 7.095 1.00 57.92 C ANISOU 678 C ASP A 99 9711 6784 5510 -2257 2150 -881 C ATOM 679 O ASP A 99 -23.160 -2.997 6.637 1.00 62.29 O ANISOU 679 O ASP A 99 11242 6720 5704 -2708 2525 -904 O ATOM 680 CB AASP A 99 -23.453 -2.645 9.501 0.50 64.23 C ANISOU 680 CB AASP A 99 11856 6934 5614 -1560 2444 -836 C ATOM 681 CB BASP A 99 -23.085 -2.603 9.528 0.50 63.15 C ANISOU 681 CB BASP A 99 11783 6625 5585 -1283 2330 -854 C ATOM 682 CG AASP A 99 -24.967 -2.783 9.639 0.50 69.09 C ANISOU 682 CG AASP A 99 12110 8435 5705 -2597 2900 -720 C ATOM 683 CG BASP A 99 -22.013 -2.530 10.622 0.50 63.10 C ANISOU 683 CG BASP A 99 12255 6111 5609 -3 1967 -901 C ATOM 684 OD1AASP A 99 -25.422 -3.562 10.501 0.50 76.26 O ANISOU 684 OD1AASP A 99 13834 9142 5998 -2937 3431 -593 O ATOM 685 OD1BASP A 99 -21.110 -1.656 10.529 0.50 58.20 O ANISOU 685 OD1BASP A 99 10937 5596 5577 624 1291 -1005 O ATOM 686 OD2AASP A 99 -25.705 -2.106 8.898 0.50 69.11 O ANISOU 686 OD2AASP A 99 10956 9483 5818 -3019 2769 -698 O ATOM 687 OD2BASP A 99 -22.075 -3.349 11.573 0.50 65.80 O ANISOU 687 OD2BASP A 99 13680 6015 5306 305 2362 -827 O ATOM 0 H AASP A 99 -24.453 -0.303 9.169 0.50 56.58 H new ATOM 0 H BASP A 99 -24.449 -0.336 9.176 0.50 56.58 H new ATOM 0 HA AASP A 99 -22.072 -1.403 8.552 0.50 57.63 H new ATOM 0 HA BASP A 99 -22.009 -1.266 8.411 0.50 57.63 H new ATOM 0 HB2AASP A 99 -23.084 -3.484 9.184 0.50 63.15 H new ATOM 0 HB2BASP A 99 -23.964 -2.567 9.937 0.50 63.15 H new ATOM 0 HB3AASP A 99 -23.067 -2.477 10.375 0.50 63.15 H new ATOM 0 HB3BASP A 99 -23.020 -3.456 9.072 0.50 63.15 H new ATOM 688 N GLN A 100 -24.112 -0.957 6.390 1.00 54.72 N ANISOU 688 N GLN A 100 8224 7280 5285 -2437 1975 -853 N ATOM 689 CA GLN A 100 -24.605 -1.224 5.042 1.00 55.66 C ANISOU 689 CA GLN A 100 8020 7915 5211 -3264 2135 -879 C ATOM 690 C GLN A 100 -23.511 -0.936 4.019 1.00 49.17 C ANISOU 690 C GLN A 100 7171 6567 4941 -2756 1946 -834 C ATOM 691 O GLN A 100 -23.126 0.210 3.812 1.00 43.99 O ANISOU 691 O GLN A 100 5846 6029 4837 -2078 1636 -721 O ATOM 692 CB GLN A 100 -25.870 -0.411 4.711 1.00 58.58 C ANISOU 692 CB GLN A 100 7174 9794 5289 -3441 2083 -797 C ATOM 693 CG GLN A 100 -26.312 -0.621 3.270 1.00 64.23 C ANISOU 693 CG GLN A 100 7459 11225 5720 -4170 2117 -870 C ATOM 694 CD GLN A 100 -27.777 -0.374 2.947 1.00 73.94 C ANISOU 694 CD GLN A 100 7484 14392 6216 -4732 2159 -814 C ATOM 695 OE1 GLN A 100 -28.683 -0.629 3.760 1.00 80.95 O ANISOU 695 OE1 GLN A 100 7982 16201 6571 -5262 2368 -727 O ATOM 696 NE2 GLN A 100 -28.018 0.084 1.707 1.00 76.12 N ANISOU 696 NE2 GLN A 100 7079 15495 6345 -4583 1994 -815 N ATOM 0 H GLN A 100 -24.293 -0.169 6.683 1.00 54.72 H new ATOM 0 HA GLN A 100 -24.848 -2.162 5.003 1.00 55.66 H new ATOM 0 HB2 GLN A 100 -26.587 -0.669 5.311 1.00 58.58 H new ATOM 0 HB3 GLN A 100 -25.698 0.532 4.863 1.00 58.58 H new ATOM 0 HG2 GLN A 100 -25.778 -0.041 2.705 1.00 64.23 H new ATOM 0 HG3 GLN A 100 -26.099 -1.534 3.021 1.00 64.23 H new ATOM 0 HE21 GLN A 100 -27.363 0.248 1.174 1.00 76.12 H new ATOM 0 HE22 GLN A 100 -28.827 0.213 1.446 1.00 76.12 H new ATOM 697 N ALA A 101 -23.014 -1.991 3.390 1.00 37.75 N ANISOU 697 N ALA A 101 4566 4548 5227 -284 737 -460 N ATOM 698 CA ALA A 101 -21.906 -1.889 2.413 1.00 37.19 C ANISOU 698 CA ALA A 101 4557 4448 5123 -225 619 -357 C ATOM 699 C ALA A 101 -22.391 -1.170 1.214 1.00 35.75 C ANISOU 699 C ALA A 101 4320 4170 5093 -186 511 -401 C ATOM 700 O ALA A 101 -23.402 -1.551 0.696 1.00 36.94 O ANISOU 700 O ALA A 101 4423 4260 5352 -187 511 -441 O ATOM 701 CB ALA A 101 -21.417 -3.288 2.010 1.00 35.90 C ANISOU 701 CB ALA A 101 4459 4273 4906 -214 630 -225 C ATOM 0 H ALA A 101 -23.302 -2.793 3.509 1.00 37.75 H new ATOM 0 HA ALA A 101 -21.167 -1.407 2.816 1.00 37.19 H new ATOM 0 HB1 ALA A 101 -20.692 -3.206 1.371 1.00 35.90 H new ATOM 0 HB2 ALA A 101 -21.102 -3.760 2.797 1.00 35.90 H new ATOM 0 HB3 ALA A 101 -22.148 -3.783 1.608 1.00 35.90 H new ATOM 702 N LEU A 102 -21.735 -0.077 0.811 1.00 33.80 N ANISOU 702 N LEU A 102 4064 3910 4868 -157 417 -390 N ATOM 703 CA LEU A 102 -22.088 0.648 -0.426 1.00 33.05 C ANISOU 703 CA LEU A 102 3910 3737 4911 -125 291 -371 C ATOM 704 C LEU A 102 -21.069 0.494 -1.575 1.00 31.43 C ANISOU 704 C LEU A 102 3767 3562 4611 -102 190 -241 C ATOM 705 O LEU A 102 -21.301 0.917 -2.694 1.00 30.35 O ANISOU 705 O LEU A 102 3585 3405 4538 -91 81 -189 O ATOM 706 CB LEU A 102 -22.175 2.121 -0.137 1.00 33.59 C ANISOU 706 CB LEU A 102 3887 3746 5128 -118 254 -438 C ATOM 707 CG LEU A 102 -23.160 2.508 0.942 1.00 39.22 C ANISOU 707 CG LEU A 102 4502 4431 5965 -152 355 -614 C ATOM 708 CD1 LEU A 102 -22.905 4.012 1.207 1.00 38.11 C ANISOU 708 CD1 LEU A 102 4260 4225 5995 -145 321 -694 C ATOM 709 CD2 LEU A 102 -24.557 2.177 0.421 1.00 39.65 C ANISOU 709 CD2 LEU A 102 4482 4411 6172 -151 342 -654 C ATOM 0 H LEU A 102 -21.075 0.267 1.242 1.00 33.80 H new ATOM 0 HA LEU A 102 -22.929 0.259 -0.712 1.00 33.05 H new ATOM 0 HB2 LEU A 102 -21.295 2.438 0.120 1.00 33.59 H new ATOM 0 HB3 LEU A 102 -22.416 2.583 -0.955 1.00 33.59 H new ATOM 0 HG LEU A 102 -23.067 2.034 1.783 1.00 39.22 H new ATOM 0 HD11 LEU A 102 -23.511 4.327 1.896 1.00 38.11 H new ATOM 0 HD12 LEU A 102 -21.989 4.138 1.500 1.00 38.11 H new ATOM 0 HD13 LEU A 102 -23.056 4.515 0.391 1.00 38.11 H new ATOM 0 HD21 LEU A 102 -25.217 2.414 1.091 1.00 39.65 H new ATOM 0 HD22 LEU A 102 -24.727 2.679 -0.391 1.00 39.65 H new ATOM 0 HD23 LEU A 102 -24.615 1.227 0.232 1.00 39.65 H new ATOM 710 N GLY A 103 -19.947 -0.138 -1.273 1.00 29.02 N ANISOU 710 N GLY A 103 3554 3321 4151 -103 229 -185 N ATOM 711 CA GLY A 103 -18.948 -0.581 -2.288 1.00 27.70 C ANISOU 711 CA GLY A 103 3443 3195 3886 -94 167 -93 C ATOM 712 C GLY A 103 -17.662 -0.838 -1.547 1.00 25.75 C ANISOU 712 C GLY A 103 3271 2994 3517 -88 211 -50 C ATOM 713 O GLY A 103 -17.661 -0.857 -0.310 1.00 26.38 O ANISOU 713 O GLY A 103 3360 3096 3566 -98 286 -78 O ATOM 0 H GLY A 103 -19.724 -0.333 -0.466 1.00 29.02 H new ATOM 0 HA2 GLY A 103 -19.250 -1.383 -2.741 1.00 27.70 H new ATOM 0 HA3 GLY A 103 -18.823 0.099 -2.968 1.00 27.70 H new ATOM 714 N PHE A 104 -16.584 -0.997 -2.289 1.00 25.16 N ANISOU 714 N PHE A 104 3238 2952 3368 -81 163 13 N ATOM 715 CA PHE A 104 -15.287 -1.198 -1.706 1.00 24.21 C ANISOU 715 CA PHE A 104 3177 2870 3150 -71 188 59 C ATOM 716 C PHE A 104 -14.171 -0.566 -2.489 1.00 23.39 C ANISOU 716 C PHE A 104 3090 2790 3003 -65 114 103 C ATOM 717 O PHE A 104 -14.361 -0.162 -3.578 1.00 23.76 O ANISOU 717 O PHE A 104 3109 2843 3073 -78 47 120 O ATOM 718 CB PHE A 104 -14.998 -2.664 -1.415 1.00 23.51 C ANISOU 718 CB PHE A 104 3115 2779 3037 -74 258 91 C ATOM 719 CG PHE A 104 -14.856 -3.530 -2.630 1.00 20.74 C ANISOU 719 CG PHE A 104 2749 2414 2717 -83 246 78 C ATOM 720 CD1 PHE A 104 -13.633 -3.907 -3.061 1.00 22.07 C ANISOU 720 CD1 PHE A 104 2936 2600 2847 -80 232 102 C ATOM 721 CD2 PHE A 104 -15.948 -3.990 -3.301 1.00 22.30 C ANISOU 721 CD2 PHE A 104 2896 2590 2986 -103 254 14 C ATOM 722 CE1 PHE A 104 -13.507 -4.698 -4.120 1.00 24.65 C ANISOU 722 CE1 PHE A 104 3226 2930 3208 -104 239 47 C ATOM 723 CE2 PHE A 104 -15.822 -4.778 -4.367 1.00 21.68 C ANISOU 723 CE2 PHE A 104 2781 2528 2928 -127 251 -39 C ATOM 724 CZ PHE A 104 -14.612 -5.128 -4.783 1.00 24.51 C ANISOU 724 CZ PHE A 104 3151 2911 3248 -132 250 -32 C ATOM 0 H PHE A 104 -16.589 -0.991 -3.149 1.00 25.16 H new ATOM 0 HA PHE A 104 -15.321 -0.733 -0.855 1.00 24.21 H new ATOM 0 HB2 PHE A 104 -14.182 -2.722 -0.894 1.00 23.51 H new ATOM 0 HB3 PHE A 104 -15.713 -3.018 -0.863 1.00 23.51 H new ATOM 0 HD1 PHE A 104 -12.874 -3.611 -2.613 1.00 22.07 H new ATOM 0 HD2 PHE A 104 -16.798 -3.749 -3.009 1.00 22.30 H new ATOM 0 HE1 PHE A 104 -12.662 -4.958 -4.408 1.00 24.65 H new ATOM 0 HE2 PHE A 104 -16.577 -5.081 -4.817 1.00 21.68 H new ATOM 0 HZ PHE A 104 -14.520 -5.671 -5.533 1.00 24.51 H new ATOM 725 N LEU A 105 -13.022 -0.462 -1.836 1.00 23.80 N ANISOU 725 N LEU A 105 3180 2872 2990 -52 123 128 N ATOM 726 CA LEU A 105 -11.787 0.066 -2.387 1.00 22.56 C ANISOU 726 CA LEU A 105 3043 2739 2790 -49 71 167 C ATOM 727 C LEU A 105 -10.634 -0.149 -1.418 1.00 21.35 C ANISOU 727 C LEU A 105 2924 2620 2568 -33 99 183 C ATOM 728 O LEU A 105 -10.831 -0.580 -0.360 1.00 21.70 O ANISOU 728 O LEU A 105 2973 2688 2583 -30 147 180 O ATOM 729 CB LEU A 105 -11.922 1.536 -2.741 1.00 22.87 C ANISOU 729 CB LEU A 105 3042 2754 2892 -51 8 174 C ATOM 730 CG LEU A 105 -11.696 2.541 -1.661 1.00 28.72 C ANISOU 730 CG LEU A 105 3734 3457 3722 -43 17 113 C ATOM 731 CD1 LEU A 105 -11.462 3.911 -2.238 1.00 27.14 C ANISOU 731 CD1 LEU A 105 3496 3222 3592 -42 -39 138 C ATOM 732 CD2 LEU A 105 -12.770 2.532 -0.691 1.00 29.74 C ANISOU 732 CD2 LEU A 105 3856 3614 3826 -46 93 31 C ATOM 0 H LEU A 105 -12.939 -0.711 -1.017 1.00 23.80 H new ATOM 0 HA LEU A 105 -11.597 -0.418 -3.206 1.00 22.56 H new ATOM 0 HB2 LEU A 105 -11.299 1.727 -3.460 1.00 22.87 H new ATOM 0 HB3 LEU A 105 -12.814 1.676 -3.095 1.00 22.87 H new ATOM 0 HG LEU A 105 -10.890 2.289 -1.184 1.00 28.72 H new ATOM 0 HD11 LEU A 105 -11.318 4.545 -1.518 1.00 27.14 H new ATOM 0 HD12 LEU A 105 -10.680 3.891 -2.812 1.00 27.14 H new ATOM 0 HD13 LEU A 105 -12.236 4.181 -2.756 1.00 27.14 H new ATOM 0 HD21 LEU A 105 -12.592 3.195 -0.005 1.00 29.74 H new ATOM 0 HD22 LEU A 105 -13.607 2.742 -1.133 1.00 29.74 H new ATOM 0 HD23 LEU A 105 -12.831 1.654 -0.284 1.00 29.74 H new ATOM 733 N GLY A 106 -9.419 0.103 -1.837 1.00 20.54 N ANISOU 733 N GLY A 106 2837 2534 2430 -29 67 207 N ATOM 734 CA GLY A 106 -8.297 -0.060 -0.955 1.00 20.08 C ANISOU 734 CA GLY A 106 2799 2514 2314 -11 80 226 C ATOM 735 C GLY A 106 -6.954 0.308 -1.521 1.00 20.63 C ANISOU 735 C GLY A 106 2876 2594 2368 -9 44 236 C ATOM 736 O GLY A 106 -6.896 1.067 -2.432 1.00 22.26 O ANISOU 736 O GLY A 106 3070 2788 2599 -28 9 234 O ATOM 0 H GLY A 106 -9.222 0.370 -2.630 1.00 20.54 H new ATOM 0 HA2 GLY A 106 -8.452 0.476 -0.162 1.00 20.08 H new ATOM 0 HA3 GLY A 106 -8.265 -0.986 -0.669 1.00 20.08 H new ATOM 737 N TYR A 107 -5.901 -0.251 -0.948 1.00 20.70 N ANISOU 737 N TYR A 107 2894 2629 2341 8 49 260 N ATOM 738 CA TYR A 107 -4.552 -0.042 -1.383 1.00 20.73 C ANISOU 738 CA TYR A 107 2896 2639 2339 11 24 258 C ATOM 739 C TYR A 107 -4.057 -1.329 -2.044 1.00 21.02 C ANISOU 739 C TYR A 107 2925 2645 2416 10 45 271 C ATOM 740 O TYR A 107 -4.411 -2.470 -1.645 1.00 21.62 O ANISOU 740 O TYR A 107 2989 2689 2535 23 75 307 O ATOM 741 CB TYR A 107 -3.692 0.259 -0.174 1.00 21.27 C ANISOU 741 CB TYR A 107 2957 2764 2360 32 8 262 C ATOM 742 CG TYR A 107 -4.085 1.486 0.658 1.00 19.81 C ANISOU 742 CG TYR A 107 2750 2624 2151 23 4 198 C ATOM 743 CD1 TYR A 107 -4.083 2.754 0.112 1.00 23.29 C ANISOU 743 CD1 TYR A 107 3166 3023 2659 10 -11 144 C ATOM 744 CD2 TYR A 107 -4.386 1.367 2.024 1.00 23.84 C ANISOU 744 CD2 TYR A 107 3244 3228 2583 17 21 188 C ATOM 745 CE1 TYR A 107 -4.345 3.873 0.901 1.00 22.00 C ANISOU 745 CE1 TYR A 107 2951 2879 2529 0 -5 53 C ATOM 746 CE2 TYR A 107 -4.687 2.502 2.808 1.00 22.81 C ANISOU 746 CE2 TYR A 107 3066 3156 2441 -5 32 76 C ATOM 747 CZ TYR A 107 -4.670 3.722 2.220 1.00 21.05 C ANISOU 747 CZ TYR A 107 2809 2858 2330 -9 22 -1 C ATOM 748 OH TYR A 107 -4.910 4.802 2.993 1.00 24.05 O ANISOU 748 OH TYR A 107 3115 3274 2748 -32 42 -137 O ATOM 0 H TYR A 107 -5.964 -0.779 -0.272 1.00 20.70 H new ATOM 0 HA TYR A 107 -4.505 0.696 -2.010 1.00 20.73 H new ATOM 0 HB2 TYR A 107 -3.703 -0.518 0.407 1.00 21.27 H new ATOM 0 HB3 TYR A 107 -2.777 0.376 -0.474 1.00 21.27 H new ATOM 0 HD1 TYR A 107 -3.905 2.863 -0.794 1.00 23.29 H new ATOM 0 HD2 TYR A 107 -4.387 0.525 2.420 1.00 23.84 H new ATOM 0 HE1 TYR A 107 -4.299 4.724 0.529 1.00 22.00 H new ATOM 0 HE2 TYR A 107 -4.893 2.414 3.711 1.00 22.81 H new ATOM 0 HH TYR A 107 -4.972 5.485 2.508 1.00 24.05 H new ATOM 749 N ARG A 108 -3.199 -1.165 -3.045 1.00 21.44 N ANISOU 749 N ARG A 108 2966 2702 2477 -12 39 236 N ATOM 750 CA ARG A 108 -2.439 -2.283 -3.523 1.00 21.31 C ANISOU 750 CA ARG A 108 2914 2656 2525 -16 67 208 C ATOM 751 C ARG A 108 -1.054 -1.836 -3.861 1.00 21.77 C ANISOU 751 C ARG A 108 2957 2734 2579 -25 54 177 C ATOM 752 O ARG A 108 -0.710 -0.629 -3.827 1.00 20.65 O ANISOU 752 O ARG A 108 2835 2627 2383 -32 24 183 O ATOM 753 CB ARG A 108 -3.084 -2.914 -4.742 1.00 22.66 C ANISOU 753 CB ARG A 108 3056 2830 2722 -64 106 140 C ATOM 754 CG ARG A 108 -3.191 -1.898 -5.914 1.00 20.57 C ANISOU 754 CG ARG A 108 2799 2651 2364 -126 84 117 C ATOM 755 CD ARG A 108 -4.103 -2.470 -7.079 1.00 30.80 C ANISOU 755 CD ARG A 108 4058 4003 3641 -188 110 51 C ATOM 756 NE ARG A 108 -3.613 -3.752 -7.527 1.00 36.02 N ANISOU 756 NE ARG A 108 4652 4647 4384 -211 174 -63 N ATOM 757 CZ ARG A 108 -2.677 -3.961 -8.479 1.00 46.12 C ANISOU 757 CZ ARG A 108 5878 5996 5649 -275 209 -166 C ATOM 758 NH1 ARG A 108 -2.116 -2.962 -9.157 1.00 47.06 N ANISOU 758 NH1 ARG A 108 6013 6223 5645 -329 184 -143 N ATOM 759 NH2 ARG A 108 -2.286 -5.207 -8.781 1.00 46.54 N ANISOU 759 NH2 ARG A 108 5842 6005 5834 -293 280 -303 N ATOM 0 H ARG A 108 -3.051 -0.420 -3.449 1.00 21.44 H new ATOM 0 HA ARG A 108 -2.410 -2.951 -2.821 1.00 21.31 H new ATOM 0 HB2 ARG A 108 -2.564 -3.683 -5.024 1.00 22.66 H new ATOM 0 HB3 ARG A 108 -3.968 -3.239 -4.511 1.00 22.66 H new ATOM 0 HG2 ARG A 108 -3.561 -1.062 -5.589 1.00 20.57 H new ATOM 0 HG3 ARG A 108 -2.306 -1.701 -6.258 1.00 20.57 H new ATOM 0 HD2 ARG A 108 -5.017 -2.559 -6.767 1.00 30.80 H new ATOM 0 HD3 ARG A 108 -4.116 -1.846 -7.822 1.00 30.80 H new ATOM 0 HE ARG A 108 -3.949 -4.449 -7.152 1.00 36.02 H new ATOM 0 HH11 ARG A 108 -2.347 -2.150 -8.995 1.00 47.06 H new ATOM 0 HH12 ARG A 108 -1.523 -3.129 -9.757 1.00 47.06 H new ATOM 0 HH21 ARG A 108 -2.631 -5.878 -8.368 1.00 46.54 H new ATOM 0 HH22 ARG A 108 -1.690 -5.336 -9.388 1.00 46.54 H new ATOM 760 N GLN A 109 -0.233 -2.818 -4.130 1.00 22.25 N ANISOU 760 N GLN A 109 2967 2755 2729 -24 81 136 N ATOM 761 CA GLN A 109 1.193 -2.566 -4.422 1.00 23.04 C ANISOU 761 CA GLN A 109 3036 2865 2852 -33 78 89 C ATOM 762 C GLN A 109 1.816 -1.644 -3.323 1.00 22.02 C ANISOU 762 C GLN A 109 2934 2758 2675 10 21 148 C ATOM 763 O GLN A 109 2.512 -0.712 -3.655 1.00 22.17 O ANISOU 763 O GLN A 109 2954 2808 2659 -11 12 115 O ATOM 764 CB GLN A 109 1.365 -1.950 -5.841 1.00 23.94 C ANISOU 764 CB GLN A 109 3145 3054 2896 -114 106 12 C ATOM 765 CG GLN A 109 0.873 -2.823 -6.972 1.00 30.08 C ANISOU 765 CG GLN A 109 3875 3862 3691 -178 164 -84 C ATOM 766 CD GLN A 109 1.700 -4.056 -7.104 1.00 38.23 C ANISOU 766 CD GLN A 109 4815 4825 4882 -176 217 -189 C ATOM 767 OE1 GLN A 109 1.283 -5.165 -6.720 1.00 44.81 O ANISOU 767 OE1 GLN A 109 5605 5566 5855 -142 238 -196 O ATOM 768 NE2 GLN A 109 2.866 -3.893 -7.617 1.00 35.68 N ANISOU 768 NE2 GLN A 109 4449 4533 4575 -213 241 -271 N ATOM 0 H GLN A 109 -0.462 -3.647 -4.154 1.00 22.25 H new ATOM 0 HA GLN A 109 1.667 -3.412 -4.410 1.00 23.04 H new ATOM 0 HB2 GLN A 109 0.892 -1.104 -5.872 1.00 23.94 H new ATOM 0 HB3 GLN A 109 2.304 -1.755 -5.984 1.00 23.94 H new ATOM 0 HG2 GLN A 109 -0.053 -3.067 -6.816 1.00 30.08 H new ATOM 0 HG3 GLN A 109 0.898 -2.324 -7.803 1.00 30.08 H new ATOM 0 HE21 GLN A 109 3.119 -3.111 -7.871 1.00 35.68 H new ATOM 0 HE22 GLN A 109 3.394 -4.566 -7.707 1.00 35.68 H new HETATM 769 N MSE A 110 1.512 -1.890 -2.049 1.00 21.34 N ANISOU 769 N MSE A 110 2857 2672 2580 58 -11 229 N HETATM 770 CA AMSE A 110 2.118 -1.148 -0.953 0.50 23.07 C ANISOU 770 CA AMSE A 110 3077 2949 2739 86 -61 256 C HETATM 771 CA BMSE A 110 2.125 -1.154 -0.944 0.50 23.41 C ANISOU 771 CA BMSE A 110 3119 2992 2782 86 -62 257 C HETATM 772 C MSE A 110 3.616 -1.525 -0.893 1.00 24.28 C ANISOU 772 C MSE A 110 3172 3082 2970 107 -86 244 C HETATM 773 O MSE A 110 3.993 -2.758 -0.881 1.00 25.29 O ANISOU 773 O MSE A 110 3245 3142 3221 130 -85 284 O HETATM 774 CB AMSE A 110 1.435 -1.489 0.368 0.50 25.41 C ANISOU 774 CB AMSE A 110 3380 3296 2977 111 -85 347 C HETATM 775 CB BMSE A 110 1.469 -1.519 0.385 0.50 25.97 C ANISOU 775 CB BMSE A 110 3449 3366 3050 112 -86 350 C HETATM 776 CG AMSE A 110 2.188 -1.030 1.592 0.50 26.51 C ANISOU 776 CG AMSE A 110 3493 3539 3040 129 -142 371 C HETATM 777 CG BMSE A 110 0.022 -1.134 0.446 0.50 27.43 C ANISOU 777 CG BMSE A 110 3677 3569 3175 91 -57 343 C HETATM 778 SE AMSE A 110 1.201 -1.539 3.150 0.50 37.41 SE ANISOU 778 SE AMSE A 110 4874 5040 4299 126 -158 496 SE HETATM 779 SE BMSE A 110 -0.931 -1.851 1.982 0.50 40.49 SE ANISOU 779 SE BMSE A 110 5330 5301 4753 98 -59 461 SE HETATM 780 CE AMSE A 110 -0.566 -0.757 2.766 0.50 27.20 C ANISOU 780 CE AMSE A 110 3638 3731 2966 88 -87 403 C HETATM 781 CE BMSE A 110 -0.293 -0.585 3.295 0.50 34.13 C ANISOU 781 CE BMSE A 110 4500 4670 3797 87 -106 406 C HETATM 0 H AMSE A 110 0.950 -2.491 -1.800 0.50 21.34 H new HETATM 0 H BMSE A 110 0.945 -2.488 -1.801 0.50 21.34 H new HETATM 0 HA AMSE A 110 2.016 -0.195 -1.101 0.50 23.41 H new HETATM 0 HA BMSE A 110 2.008 -0.202 -1.087 0.50 23.41 H new HETATM 0 HB2AMSE A 110 0.551 -1.089 0.376 0.50 25.97 H new HETATM 0 HB2BMSE A 110 1.551 -2.475 0.529 0.50 25.97 H new HETATM 0 HB3AMSE A 110 1.312 -2.450 0.418 0.50 25.97 H new HETATM 0 HB3BMSE A 110 1.946 -1.081 1.107 0.50 25.97 H new HETATM 0 HG2AMSE A 110 3.073 -1.427 1.610 0.50 27.43 H new HETATM 0 HG2BMSE A 110 -0.044 -0.166 0.460 0.50 27.43 H new HETATM 0 HG3AMSE A 110 2.309 -0.068 1.571 0.50 27.43 H new HETATM 0 HG3BMSE A 110 -0.417 -1.437 -0.364 0.50 27.43 H new HETATM 0 HE1AMSE A 110 -1.172 -0.950 3.499 0.50 34.13 H new HETATM 0 HE1BMSE A 110 -0.679 -0.794 4.160 0.50 34.13 H new HETATM 0 HE2AMSE A 110 -0.480 0.204 2.663 0.50 34.13 H new HETATM 0 HE2BMSE A 110 0.674 -0.637 3.352 0.50 34.13 H new HETATM 0 HE3AMSE A 110 -0.918 -1.139 1.947 0.50 34.13 H new HETATM 0 HE3BMSE A 110 -0.553 0.312 3.033 0.50 34.13 H new ATOM 782 N VAL A 111 4.464 -0.519 -0.904 1.00 21.74 N ANISOU 782 N VAL A 111 2698 2776 2787 102 -187 -15 N ATOM 783 CA VAL A 111 5.899 -0.677 -0.753 1.00 23.86 C ANISOU 783 CA VAL A 111 2926 3005 3133 107 -220 -57 C ATOM 784 C VAL A 111 6.321 0.220 0.382 1.00 24.25 C ANISOU 784 C VAL A 111 3033 3048 3130 136 -269 -2 C ATOM 785 O VAL A 111 6.714 1.373 0.192 1.00 25.33 O ANISOU 785 O VAL A 111 3187 3210 3226 128 -274 -16 O ATOM 786 CB VAL A 111 6.726 -0.377 -2.077 1.00 24.27 C ANISOU 786 CB VAL A 111 2909 3118 3191 57 -177 -159 C ATOM 787 CG1 VAL A 111 8.191 -0.828 -1.908 1.00 25.17 C ANISOU 787 CG1 VAL A 111 2950 3187 3424 68 -208 -234 C ATOM 788 CG2 VAL A 111 6.016 -1.014 -3.336 1.00 22.68 C ANISOU 788 CG2 VAL A 111 2650 2983 2982 16 -117 -234 C ATOM 0 H VAL A 111 4.218 0.299 -1.002 1.00 21.74 H new ATOM 0 HA VAL A 111 6.095 -1.607 -0.562 1.00 23.86 H new ATOM 0 HB VAL A 111 6.747 0.580 -2.234 1.00 24.27 H new ATOM 0 HG11 VAL A 111 8.684 -0.639 -2.722 1.00 25.17 H new ATOM 0 HG12 VAL A 111 8.594 -0.348 -1.168 1.00 25.17 H new ATOM 0 HG13 VAL A 111 8.218 -1.781 -1.728 1.00 25.17 H new ATOM 0 HG21 VAL A 111 6.535 -0.821 -4.133 1.00 22.68 H new ATOM 0 HG22 VAL A 111 5.950 -1.975 -3.219 1.00 22.68 H new ATOM 0 HG23 VAL A 111 5.127 -0.639 -3.431 1.00 22.68 H new ATOM 789 N GLN A 112 6.224 -0.301 1.588 1.00 25.29 N ANISOU 789 N GLN A 112 3186 3156 3266 159 -319 66 N ATOM 790 CA GLN A 112 6.525 0.508 2.775 1.00 27.08 C ANISOU 790 CA GLN A 112 3458 3414 3415 183 -367 99 C ATOM 791 C GLN A 112 7.884 1.110 2.737 1.00 27.04 C ANISOU 791 C GLN A 112 3438 3372 3462 193 -404 51 C ATOM 792 O GLN A 112 8.051 2.304 3.046 1.00 26.05 O ANISOU 792 O GLN A 112 3341 3271 3285 209 -423 27 O ATOM 793 CB GLN A 112 6.400 -0.308 4.098 1.00 28.43 C ANISOU 793 CB GLN A 112 3637 3603 3562 177 -427 202 C ATOM 794 CG GLN A 112 5.003 -0.825 4.311 1.00 30.78 C ANISOU 794 CG GLN A 112 3940 3962 3789 153 -392 269 C ATOM 795 CD GLN A 112 4.874 -1.631 5.522 1.00 33.24 C ANISOU 795 CD GLN A 112 4245 4320 4063 112 -457 406 C ATOM 796 OE1 GLN A 112 4.821 -2.854 5.441 1.00 36.65 O ANISOU 796 OE1 GLN A 112 4637 4674 4613 77 -504 497 O ATOM 797 NE2 GLN A 112 4.904 -0.990 6.671 1.00 34.18 N ANISOU 797 NE2 GLN A 112 4388 4568 4029 107 -480 424 N ATOM 0 H GLN A 112 5.989 -1.112 1.752 1.00 25.29 H new ATOM 0 HA GLN A 112 5.861 1.215 2.760 1.00 27.08 H new ATOM 0 HB2 GLN A 112 7.020 -1.053 4.077 1.00 28.43 H new ATOM 0 HB3 GLN A 112 6.655 0.252 4.848 1.00 28.43 H new ATOM 0 HG2 GLN A 112 4.390 -0.075 4.360 1.00 30.78 H new ATOM 0 HG3 GLN A 112 4.740 -1.357 3.544 1.00 30.78 H new ATOM 0 HE21 GLN A 112 4.941 -0.131 6.683 1.00 34.18 H new ATOM 0 HE22 GLN A 112 4.886 -1.430 7.410 1.00 34.18 H new ATOM 798 N ALA A 113 8.862 0.336 2.277 1.00 28.24 N ANISOU 798 N ALA A 113 3530 3458 3741 183 -419 17 N ATOM 799 CA ALA A 113 10.289 0.786 2.270 1.00 29.16 C ANISOU 799 CA ALA A 113 3613 3539 3926 187 -456 -32 C ATOM 800 C ALA A 113 10.528 2.009 1.376 1.00 28.43 C ANISOU 800 C ALA A 113 3516 3494 3792 158 -412 -78 C ATOM 801 O ALA A 113 11.445 2.756 1.612 1.00 26.78 O ANISOU 801 O ALA A 113 3299 3268 3605 160 -451 -91 O ATOM 802 CB ALA A 113 11.265 -0.407 1.894 1.00 31.31 C ANISOU 802 CB ALA A 113 3786 3730 4379 185 -484 -94 C ATOM 0 H ALA A 113 8.739 -0.454 1.962 1.00 28.24 H new ATOM 0 HA ALA A 113 10.492 1.069 3.175 1.00 29.16 H new ATOM 0 HB1 ALA A 113 12.181 -0.089 1.897 1.00 31.31 H new ATOM 0 HB2 ALA A 113 11.169 -1.121 2.544 1.00 31.31 H new ATOM 0 HB3 ALA A 113 11.042 -0.742 1.011 1.00 31.31 H new ATOM 803 N HIS A 114 9.670 2.222 0.366 1.00 26.89 N ANISOU 803 N HIS A 114 3320 3356 3539 120 -346 -82 N ATOM 804 CA HIS A 114 9.822 3.374 -0.551 1.00 26.31 C ANISOU 804 CA HIS A 114 3233 3334 3427 62 -330 -78 C ATOM 805 C HIS A 114 8.773 4.419 -0.422 1.00 25.31 C ANISOU 805 C HIS A 114 3164 3210 3242 67 -356 -21 C ATOM 806 O HIS A 114 8.812 5.424 -1.132 1.00 27.59 O ANISOU 806 O HIS A 114 3438 3516 3529 10 -377 16 O ATOM 807 CB HIS A 114 9.855 2.824 -1.963 1.00 27.32 C ANISOU 807 CB HIS A 114 3286 3550 3544 -11 -253 -129 C ATOM 808 CG HIS A 114 11.143 2.161 -2.222 1.00 31.02 C ANISOU 808 CG HIS A 114 3658 4028 4099 -24 -236 -228 C ATOM 809 ND1 HIS A 114 12.319 2.855 -2.066 1.00 31.99 N ANISOU 809 ND1 HIS A 114 3751 4146 4256 -43 -268 -230 N ATOM 810 CD2 HIS A 114 11.484 0.862 -2.431 1.00 31.43 C ANISOU 810 CD2 HIS A 114 3627 4065 4249 -5 -214 -340 C ATOM 811 CE1 HIS A 114 13.337 2.023 -2.237 1.00 35.94 C ANISOU 811 CE1 HIS A 114 4151 4646 4859 -40 -251 -346 C ATOM 812 NE2 HIS A 114 12.861 0.820 -2.483 1.00 31.84 N ANISOU 812 NE2 HIS A 114 3590 4116 4389 -15 -223 -424 N ATOM 0 H HIS A 114 8.996 1.716 0.193 1.00 26.89 H new ATOM 0 HA HIS A 114 10.644 3.832 -0.316 1.00 26.31 H new ATOM 0 HB2 HIS A 114 9.128 2.194 -2.088 1.00 27.32 H new ATOM 0 HB3 HIS A 114 9.720 3.543 -2.600 1.00 27.32 H new ATOM 0 HD2 HIS A 114 10.902 0.142 -2.521 1.00 31.43 H new ATOM 0 HE1 HIS A 114 14.237 2.251 -2.191 1.00 35.94 H new ATOM 0 HE2 HIS A 114 13.333 0.121 -2.649 1.00 31.84 H new ATOM 813 N GLY A 115 7.829 4.176 0.477 1.00 24.24 N ANISOU 813 N GLY A 115 3078 3061 3071 126 -364 -13 N ATOM 814 CA GLY A 115 6.715 5.073 0.719 1.00 24.60 C ANISOU 814 CA GLY A 115 3156 3109 3082 147 -389 -3 C ATOM 815 C GLY A 115 5.855 5.232 -0.521 1.00 22.88 C ANISOU 815 C GLY A 115 2926 2917 2849 90 -358 29 C ATOM 816 O GLY A 115 5.342 6.349 -0.825 1.00 23.95 O ANISOU 816 O GLY A 115 3059 3027 3014 75 -415 55 O ATOM 0 H GLY A 115 7.820 3.472 0.971 1.00 24.24 H new ATOM 0 HA2 GLY A 115 6.174 4.731 1.448 1.00 24.60 H new ATOM 0 HA3 GLY A 115 7.050 5.940 0.996 1.00 24.60 H new ATOM 817 N ALA A 116 5.675 4.138 -1.238 1.00 21.56 N ANISOU 817 N ALA A 116 2740 2794 2656 58 -289 26 N ATOM 818 CA ALA A 116 4.873 4.174 -2.444 1.00 22.08 C ANISOU 818 CA ALA A 116 2790 2911 2687 -3 -260 52 C ATOM 819 C ALA A 116 3.691 3.239 -2.241 1.00 21.21 C ANISOU 819 C ALA A 116 2698 2805 2555 31 -215 38 C ATOM 820 O ALA A 116 3.851 2.086 -1.764 1.00 20.48 O ANISOU 820 O ALA A 116 2597 2699 2485 62 -186 11 O ATOM 821 CB ALA A 116 5.705 3.737 -3.718 1.00 22.66 C ANISOU 821 CB ALA A 116 2795 3075 2737 -94 -211 28 C ATOM 0 H ALA A 116 6.007 3.368 -1.045 1.00 21.56 H new ATOM 0 HA ALA A 116 4.573 5.083 -2.604 1.00 22.08 H new ATOM 0 HB1 ALA A 116 5.137 3.773 -4.504 1.00 22.66 H new ATOM 0 HB2 ALA A 116 6.457 4.338 -3.835 1.00 22.66 H new ATOM 0 HB3 ALA A 116 6.031 2.832 -3.597 1.00 22.66 H new ATOM 822 N ILE A 117 2.515 3.676 -2.745 1.00 20.78 N ANISOU 822 N ILE A 117 2653 2763 2479 14 -223 67 N ATOM 823 CA ILE A 117 1.275 2.899 -2.622 1.00 19.88 C ANISOU 823 CA ILE A 117 2547 2656 2349 40 -183 59 C ATOM 824 C ILE A 117 0.372 3.235 -3.813 1.00 19.99 C ANISOU 824 C ILE A 117 2548 2702 2344 -16 -189 88 C ATOM 825 O ILE A 117 0.611 4.262 -4.469 1.00 21.12 O ANISOU 825 O ILE A 117 2682 2853 2489 -73 -247 139 O ATOM 826 CB ILE A 117 0.581 3.200 -1.266 1.00 20.76 C ANISOU 826 CB ILE A 117 2684 2747 2457 112 -199 49 C ATOM 827 CG1 ILE A 117 -0.422 2.124 -0.901 1.00 23.98 C ANISOU 827 CG1 ILE A 117 3088 3179 2842 126 -148 56 C ATOM 828 CG2 ILE A 117 0.077 4.661 -1.172 1.00 20.29 C ANISOU 828 CG2 ILE A 117 2620 2655 2432 130 -269 34 C ATOM 829 CD1 ILE A 117 -0.692 2.031 0.714 1.00 21.07 C ANISOU 829 CD1 ILE A 117 2725 2856 2423 170 -146 54 C ATOM 0 H ILE A 117 2.423 4.423 -3.161 1.00 20.78 H new ATOM 0 HA ILE A 117 1.469 1.949 -2.634 1.00 19.88 H new ATOM 0 HB ILE A 117 1.246 3.151 -0.562 1.00 20.76 H new ATOM 0 HG12 ILE A 117 -1.260 2.301 -1.355 1.00 23.98 H new ATOM 0 HG13 ILE A 117 -0.101 1.266 -1.221 1.00 23.98 H new ATOM 0 HG21 ILE A 117 -0.348 4.802 -0.311 1.00 20.29 H new ATOM 0 HG22 ILE A 117 0.827 5.269 -1.266 1.00 20.29 H new ATOM 0 HG23 ILE A 117 -0.565 4.828 -1.880 1.00 20.29 H new ATOM 0 HD11 ILE A 117 -1.338 1.331 0.894 1.00 21.07 H new ATOM 0 HD12 ILE A 117 0.140 1.828 1.170 1.00 21.07 H new ATOM 0 HD13 ILE A 117 -1.037 2.879 1.034 1.00 21.07 H new ATOM 830 N GLU A 118 -0.652 2.394 -4.043 1.00 20.42 N ANISOU 830 N GLU A 118 2596 2771 2389 -9 -148 73 N ATOM 831 CA GLU A 118 -1.603 2.594 -5.127 1.00 21.95 C ANISOU 831 CA GLU A 118 2777 3000 2563 -62 -160 99 C ATOM 832 C GLU A 118 -3.009 2.494 -4.536 1.00 22.68 C ANISOU 832 C GLU A 118 2878 3051 2684 -7 -157 95 C ATOM 833 O GLU A 118 -3.227 1.561 -3.756 1.00 20.99 O ANISOU 833 O GLU A 118 2665 2831 2477 35 -107 71 O ATOM 834 CB GLU A 118 -1.371 1.541 -6.147 1.00 23.12 C ANISOU 834 CB GLU A 118 2882 3226 2674 -116 -107 51 C ATOM 835 CG GLU A 118 -2.314 1.605 -7.361 1.00 23.89 C ANISOU 835 CG GLU A 118 2958 3393 2724 -185 -120 71 C ATOM 836 CD GLU A 118 -2.083 0.459 -8.338 1.00 25.53 C ANISOU 836 CD GLU A 118 3101 3705 2894 -232 -61 -28 C ATOM 837 OE1 GLU A 118 -1.001 -0.146 -8.411 1.00 28.75 O ANISOU 837 OE1 GLU A 118 3461 4152 3309 -237 -21 -117 O ATOM 838 OE2 GLU A 118 -3.069 0.116 -8.991 1.00 27.05 O ANISOU 838 OE2 GLU A 118 3277 3931 3069 -256 -61 -40 O ATOM 0 H GLU A 118 -0.806 1.694 -3.568 1.00 20.42 H new ATOM 0 HA GLU A 118 -1.498 3.461 -5.549 1.00 21.95 H new ATOM 0 HB2 GLU A 118 -0.455 1.607 -6.460 1.00 23.12 H new ATOM 0 HB3 GLU A 118 -1.465 0.673 -5.725 1.00 23.12 H new ATOM 0 HG2 GLU A 118 -3.234 1.584 -7.054 1.00 23.89 H new ATOM 0 HG3 GLU A 118 -2.187 2.449 -7.821 1.00 23.89 H new ATOM 839 N ILE A 119 -3.899 3.482 -4.779 1.00 20.21 N ANISOU 839 N ILE A 119 2561 2709 2406 -11 -222 123 N ATOM 840 CA ILE A 119 -5.318 3.335 -4.463 1.00 21.49 C ANISOU 840 CA ILE A 119 2709 2851 2602 29 -213 98 C ATOM 841 C ILE A 119 -5.937 2.611 -5.649 1.00 21.96 C ANISOU 841 C ILE A 119 2755 2950 2637 -27 -195 118 C ATOM 842 O ILE A 119 -5.789 3.050 -6.765 1.00 22.28 O ANISOU 842 O ILE A 119 2789 3023 2654 -103 -247 168 O ATOM 843 CB ILE A 119 -5.985 4.695 -4.184 1.00 24.30 C ANISOU 843 CB ILE A 119 3040 3140 3052 61 -308 84 C ATOM 844 CG1 ILE A 119 -5.567 5.161 -2.793 1.00 25.95 C ANISOU 844 CG1 ILE A 119 3242 3339 3277 135 -305 7 C ATOM 845 CG2 ILE A 119 -7.485 4.631 -4.213 1.00 25.08 C ANISOU 845 CG2 ILE A 119 3102 3224 3202 86 -311 51 C ATOM 846 CD1 ILE A 119 -5.742 6.627 -2.520 1.00 29.14 C ANISOU 846 CD1 ILE A 119 3602 3658 3812 171 -423 -41 C ATOM 0 H ILE A 119 -3.690 4.240 -5.126 1.00 20.21 H new ATOM 0 HA ILE A 119 -5.449 2.827 -3.647 1.00 21.49 H new ATOM 0 HB ILE A 119 -5.698 5.304 -4.883 1.00 24.30 H new ATOM 0 HG12 ILE A 119 -6.077 4.663 -2.136 1.00 25.95 H new ATOM 0 HG13 ILE A 119 -4.634 4.933 -2.660 1.00 25.95 H new ATOM 0 HG21 ILE A 119 -7.850 5.511 -4.032 1.00 25.08 H new ATOM 0 HG22 ILE A 119 -7.780 4.333 -5.088 1.00 25.08 H new ATOM 0 HG23 ILE A 119 -7.796 4.007 -3.538 1.00 25.08 H new ATOM 0 HD11 ILE A 119 -5.451 6.825 -1.616 1.00 29.14 H new ATOM 0 HD12 ILE A 119 -5.211 7.139 -3.150 1.00 29.14 H new ATOM 0 HD13 ILE A 119 -6.677 6.865 -2.617 1.00 29.14 H new ATOM 847 N GLY A 120 -6.564 1.485 -5.379 1.00 21.36 N ANISOU 847 N GLY A 120 2667 2884 2563 -2 -128 85 N ATOM 848 CA GLY A 120 -7.222 0.703 -6.369 1.00 23.32 C ANISOU 848 CA GLY A 120 2891 3161 2807 -43 -112 76 C ATOM 849 C GLY A 120 -8.355 -0.123 -5.858 1.00 21.08 C ANISOU 849 C GLY A 120 2584 2853 2570 -6 -71 60 C ATOM 850 O GLY A 120 -8.870 0.142 -4.778 1.00 23.02 O ANISOU 850 O GLY A 120 2826 3084 2834 40 -57 61 O ATOM 0 H GLY A 120 -6.614 1.153 -4.587 1.00 21.36 H new ATOM 0 HA2 GLY A 120 -7.555 1.294 -7.062 1.00 23.32 H new ATOM 0 HA3 GLY A 120 -6.572 0.116 -6.785 1.00 23.32 H new ATOM 851 N HIS A 121 -8.770 -1.045 -6.708 1.00 21.21 N ANISOU 851 N HIS A 121 2571 2886 2601 -38 -57 35 N ATOM 852 CA HIS A 121 -9.926 -1.841 -6.534 1.00 21.19 C ANISOU 852 CA HIS A 121 2534 2857 2658 -22 -33 29 C ATOM 853 C HIS A 121 -11.114 -0.971 -6.176 1.00 23.05 C ANISOU 853 C HIS A 121 2763 3077 2916 2 -56 47 C ATOM 854 O HIS A 121 -11.953 -1.328 -5.328 1.00 21.87 O ANISOU 854 O HIS A 121 2583 2924 2801 30 -17 50 O ATOM 855 CB HIS A 121 -9.651 -2.895 -5.432 1.00 21.02 C ANISOU 855 CB HIS A 121 2497 2805 2685 2 9 50 C ATOM 856 CG HIS A 121 -8.723 -3.974 -5.857 1.00 23.81 C ANISOU 856 CG HIS A 121 2821 3132 3091 -13 8 6 C ATOM 857 ND1 HIS A 121 -7.527 -4.177 -5.224 1.00 24.04 N ANISOU 857 ND1 HIS A 121 2860 3142 3131 -1 6 17 N ATOM 858 CD2 HIS A 121 -8.804 -4.924 -6.823 1.00 24.12 C ANISOU 858 CD2 HIS A 121 2804 3159 3201 -34 -2 -72 C ATOM 859 CE1 HIS A 121 -6.879 -5.171 -5.818 1.00 29.90 C ANISOU 859 CE1 HIS A 121 3546 3850 3962 -12 -7 -60 C ATOM 860 NE2 HIS A 121 -7.621 -5.637 -6.801 1.00 27.40 N ANISOU 860 NE2 HIS A 121 3184 3545 3682 -31 -11 -129 N ATOM 0 H HIS A 121 -8.350 -1.220 -7.438 1.00 21.21 H new ATOM 0 HA HIS A 121 -10.138 -2.300 -7.362 1.00 21.19 H new ATOM 0 HB2 HIS A 121 -9.281 -2.449 -4.654 1.00 21.02 H new ATOM 0 HB3 HIS A 121 -10.493 -3.292 -5.158 1.00 21.02 H new ATOM 0 HD2 HIS A 121 -9.523 -5.068 -7.394 1.00 24.12 H new ATOM 0 HE1 HIS A 121 -6.038 -5.487 -5.579 1.00 29.90 H new ATOM 0 HE2 HIS A 121 -7.406 -6.275 -7.337 1.00 27.40 H new ATOM 861 N VAL A 122 -11.273 0.133 -6.927 1.00 23.99 N ANISOU 861 N VAL A 122 2892 3192 3028 -19 -131 60 N ATOM 862 CA VAL A 122 -12.354 1.047 -6.661 1.00 25.28 C ANISOU 862 CA VAL A 122 3027 3313 3264 11 -181 54 C ATOM 863 C VAL A 122 -13.604 0.525 -7.315 1.00 25.50 C ANISOU 863 C VAL A 122 3017 3333 3340 -5 -191 47 C ATOM 864 O VAL A 122 -13.718 0.475 -8.576 1.00 26.50 O ANISOU 864 O VAL A 122 3145 3477 3445 -66 -248 74 O ATOM 865 CB VAL A 122 -12.063 2.458 -7.174 1.00 25.44 C ANISOU 865 CB VAL A 122 3056 3294 3314 -12 -299 94 C ATOM 866 CG1 VAL A 122 -13.288 3.450 -6.973 1.00 24.77 C ANISOU 866 CG1 VAL A 122 2910 3126 3372 28 -389 62 C ATOM 867 CG2 VAL A 122 -10.737 2.999 -6.636 1.00 28.53 C ANISOU 867 CG2 VAL A 122 3482 3688 3669 -3 -301 103 C ATOM 0 H VAL A 122 -10.764 0.354 -7.584 1.00 23.99 H new ATOM 0 HA VAL A 122 -12.465 1.106 -5.699 1.00 25.28 H new ATOM 0 HB VAL A 122 -11.951 2.393 -8.135 1.00 25.44 H new ATOM 0 HG11 VAL A 122 -13.053 4.328 -7.313 1.00 24.77 H new ATOM 0 HG12 VAL A 122 -14.060 3.113 -7.454 1.00 24.77 H new ATOM 0 HG13 VAL A 122 -13.500 3.516 -6.029 1.00 24.77 H new ATOM 0 HG21 VAL A 122 -10.588 3.893 -6.982 1.00 28.53 H new ATOM 0 HG22 VAL A 122 -10.769 3.029 -5.667 1.00 28.53 H new ATOM 0 HG23 VAL A 122 -10.013 2.419 -6.917 1.00 28.53 H new ATOM 868 N ASN A 123 -14.499 0.019 -6.472 1.00 25.67 N ANISOU 868 N ASN A 123 2993 3352 3407 35 -129 12 N ATOM 869 CA ASN A 123 -15.733 -0.678 -6.882 1.00 26.09 C ANISOU 869 CA ASN A 123 2998 3394 3521 24 -121 1 C ATOM 870 C ASN A 123 -16.904 -0.050 -6.147 1.00 26.77 C ANISOU 870 C ASN A 123 3014 3469 3687 70 -122 -49 C ATOM 871 O ASN A 123 -17.257 -0.461 -4.991 1.00 25.64 O ANISOU 871 O ASN A 123 2825 3385 3531 90 -33 -75 O ATOM 872 CB ASN A 123 -15.634 -2.145 -6.516 1.00 25.30 C ANISOU 872 CB ASN A 123 2884 3311 3415 12 -41 16 C ATOM 873 CG ASN A 123 -14.769 -2.921 -7.474 1.00 27.78 C ANISOU 873 CG ASN A 123 3224 3626 3705 -25 -54 10 C ATOM 874 OD1 ASN A 123 -15.278 -3.334 -8.504 1.00 29.98 O ANISOU 874 OD1 ASN A 123 3478 3902 4009 -55 -88 -18 O ATOM 875 ND2 ASN A 123 -13.435 -2.989 -7.237 1.00 25.14 N ANISOU 875 ND2 ASN A 123 2926 3307 3315 -27 -37 14 N ATOM 0 H ASN A 123 -14.409 0.070 -5.618 1.00 25.67 H new ATOM 0 HA ASN A 123 -15.858 -0.599 -7.841 1.00 26.09 H new ATOM 0 HB2 ASN A 123 -15.273 -2.228 -5.619 1.00 25.30 H new ATOM 0 HB3 ASN A 123 -16.523 -2.532 -6.501 1.00 25.30 H new ATOM 0 HD21 ASN A 123 -12.911 -3.334 -7.825 1.00 25.14 H new ATOM 0 HD22 ASN A 123 -13.114 -2.687 -6.499 1.00 25.14 H new ATOM 876 N PHE A 124 -17.503 0.959 -6.790 1.00 28.91 N ANISOU 876 N PHE A 124 3261 3678 4045 75 -230 -66 N ATOM 877 CA PHE A 124 -18.571 1.730 -6.140 1.00 30.82 C ANISOU 877 CA PHE A 124 3408 3894 4407 131 -252 -159 C ATOM 878 C PHE A 124 -19.904 1.391 -6.783 1.00 32.78 C ANISOU 878 C PHE A 124 3597 4105 4751 119 -285 -168 C ATOM 879 O PHE A 124 -20.022 1.411 -8.002 1.00 33.19 O ANISOU 879 O PHE A 124 3679 4107 4822 74 -381 -103 O ATOM 880 CB PHE A 124 -18.292 3.228 -6.318 1.00 31.52 C ANISOU 880 CB PHE A 124 3485 3894 4595 154 -390 -180 C ATOM 881 CG PHE A 124 -17.141 3.776 -5.481 1.00 29.99 C ANISOU 881 CG PHE A 124 3322 3726 4347 183 -368 -208 C ATOM 882 CD1 PHE A 124 -16.468 3.024 -4.544 1.00 31.56 C ANISOU 882 CD1 PHE A 124 3552 4032 4404 189 -232 -217 C ATOM 883 CD2 PHE A 124 -16.754 5.078 -5.648 1.00 29.84 C ANISOU 883 CD2 PHE A 124 3288 3608 4439 198 -508 -215 C ATOM 884 CE1 PHE A 124 -15.451 3.575 -3.768 1.00 27.03 C ANISOU 884 CE1 PHE A 124 3000 3484 3785 216 -225 -249 C ATOM 885 CE2 PHE A 124 -15.709 5.596 -4.917 1.00 29.37 C ANISOU 885 CE2 PHE A 124 3249 3562 4345 226 -499 -248 C ATOM 886 CZ PHE A 124 -15.109 4.869 -3.923 1.00 29.28 C ANISOU 886 CZ PHE A 124 3269 3675 4180 242 -350 -282 C ATOM 0 H PHE A 124 -17.310 1.210 -7.590 1.00 28.91 H new ATOM 0 HA PHE A 124 -18.601 1.510 -5.196 1.00 30.82 H new ATOM 0 HB2 PHE A 124 -18.103 3.398 -7.254 1.00 31.52 H new ATOM 0 HB3 PHE A 124 -19.098 3.721 -6.097 1.00 31.52 H new ATOM 0 HD1 PHE A 124 -16.697 2.130 -4.427 1.00 31.56 H new ATOM 0 HD2 PHE A 124 -17.201 5.617 -6.260 1.00 29.84 H new ATOM 0 HE1 PHE A 124 -15.008 3.049 -3.142 1.00 27.03 H new ATOM 0 HE2 PHE A 124 -15.405 6.455 -5.101 1.00 29.37 H new ATOM 0 HZ PHE A 124 -14.477 5.262 -3.365 1.00 29.28 H new ATOM 887 N SER A 125 -20.907 1.137 -5.960 1.00 35.91 N ANISOU 887 N SER A 125 3898 4546 5200 152 -209 -252 N ATOM 888 CA SER A 125 -22.277 0.843 -6.462 1.00 37.40 C ANISOU 888 CA SER A 125 4010 4696 5503 147 -237 -277 C ATOM 889 C SER A 125 -22.790 2.052 -7.206 1.00 40.31 C ANISOU 889 C SER A 125 4339 4940 6034 168 -410 -306 C ATOM 890 O SER A 125 -22.333 3.146 -6.981 1.00 40.74 O ANISOU 890 O SER A 125 4386 4944 6147 200 -489 -341 O ATOM 891 CB SER A 125 -23.189 0.537 -5.276 1.00 38.55 C ANISOU 891 CB SER A 125 4035 4943 5668 171 -118 -376 C ATOM 892 OG SER A 125 -23.479 1.692 -4.525 1.00 37.62 O ANISOU 892 OG SER A 125 3819 4841 5633 234 -138 -529 O ATOM 0 H SER A 125 -20.833 1.126 -5.103 1.00 35.91 H new ATOM 0 HA SER A 125 -22.261 0.078 -7.058 1.00 37.40 H new ATOM 0 HB2 SER A 125 -24.016 0.144 -5.597 1.00 38.55 H new ATOM 0 HB3 SER A 125 -22.765 -0.122 -4.704 1.00 38.55 H new ATOM 0 HG SER A 125 -22.967 1.730 -3.860 1.00 37.62 H new ATOM 893 N PRO A 126 -23.794 1.885 -8.083 1.00 42.69 N ANISOU 893 N PRO A 126 4603 5177 6437 147 -490 -287 N ATOM 894 CA PRO A 126 -24.288 3.094 -8.782 1.00 44.18 C ANISOU 894 CA PRO A 126 4744 5228 6812 157 -692 -288 C ATOM 895 C PRO A 126 -24.799 4.218 -7.815 1.00 45.61 C ANISOU 895 C PRO A 126 4788 5352 7190 247 -732 -461 C ATOM 896 O PRO A 126 -24.532 5.390 -7.999 1.00 46.87 O ANISOU 896 O PRO A 126 4924 5392 7491 265 -894 -464 O ATOM 897 CB PRO A 126 -25.383 2.534 -9.713 1.00 45.90 C ANISOU 897 CB PRO A 126 4931 5411 7098 121 -750 -253 C ATOM 898 CG PRO A 126 -24.983 1.035 -9.897 1.00 45.97 C ANISOU 898 CG PRO A 126 5019 5532 6916 72 -606 -196 C ATOM 899 CD PRO A 126 -24.357 0.626 -8.583 1.00 43.27 C ANISOU 899 CD PRO A 126 4682 5284 6473 105 -433 -244 C ATOM 0 HA PRO A 126 -23.586 3.556 -9.267 1.00 44.18 H new ATOM 0 HB2 PRO A 126 -26.265 2.622 -9.319 1.00 45.90 H new ATOM 0 HB3 PRO A 126 -25.404 3.004 -10.561 1.00 45.90 H new ATOM 0 HG2 PRO A 126 -25.758 0.488 -10.101 1.00 45.97 H new ATOM 0 HG3 PRO A 126 -24.358 0.927 -10.631 1.00 45.97 H new ATOM 0 HD2 PRO A 126 -25.013 0.258 -7.971 1.00 43.27 H new ATOM 0 HD3 PRO A 126 -23.673 -0.050 -8.706 1.00 43.27 H new ATOM 900 N ALA A 127 -25.457 3.833 -6.735 1.00 50.31 N ANISOU 900 N ALA A 127 5434 5063 8616 1591 -2264 -941 N ATOM 901 CA ALA A 127 -25.941 4.754 -5.749 1.00 50.33 C ANISOU 901 CA ALA A 127 5000 5100 9023 1350 -1813 -1047 C ATOM 902 C ALA A 127 -24.841 5.582 -5.112 1.00 46.59 C ANISOU 902 C ALA A 127 4779 5050 7872 1203 -1297 -813 C ATOM 903 O ALA A 127 -25.090 6.684 -4.601 1.00 45.74 O ANISOU 903 O ALA A 127 4450 4952 7976 1084 -1006 -965 O ATOM 904 CB ALA A 127 -26.724 3.999 -4.673 1.00 53.65 C ANISOU 904 CB ALA A 127 4930 5427 10027 914 -1307 -1216 C ATOM 0 H ALA A 127 -25.634 3.010 -6.558 1.00 50.31 H new ATOM 0 HA ALA A 127 -26.524 5.378 -6.209 1.00 50.33 H new ATOM 0 HB1 ALA A 127 -27.049 4.627 -4.009 1.00 53.65 H new ATOM 0 HB2 ALA A 127 -27.476 3.542 -5.081 1.00 53.65 H new ATOM 0 HB3 ALA A 127 -26.144 3.349 -4.246 1.00 53.65 H new ATOM 905 N LEU A 128 -23.631 5.035 -5.107 1.00 43.54 N ANISOU 905 N LEU A 128 4738 4901 6904 1206 -1221 -532 N ATOM 906 CA LEU A 128 -22.457 5.713 -4.524 1.00 41.89 C ANISOU 906 CA LEU A 128 4700 4954 6261 1089 -897 -322 C ATOM 907 C LEU A 128 -21.708 6.541 -5.561 1.00 41.37 C ANISOU 907 C LEU A 128 4933 4907 5878 1370 -913 -320 C ATOM 908 O LEU A 128 -21.287 7.643 -5.278 1.00 40.16 O ANISOU 908 O LEU A 128 4804 4865 5590 1331 -697 -256 O ATOM 909 CB LEU A 128 -21.533 4.689 -3.936 1.00 40.41 C ANISOU 909 CB LEU A 128 4578 4751 6022 911 -981 -79 C ATOM 910 CG LEU A 128 -20.283 5.132 -3.146 1.00 42.67 C ANISOU 910 CG LEU A 128 4974 5086 6150 737 -953 153 C ATOM 911 CD1 LEU A 128 -20.694 5.857 -1.896 1.00 42.72 C ANISOU 911 CD1 LEU A 128 5171 5246 5813 260 -700 223 C ATOM 912 CD2 LEU A 128 -19.505 3.908 -2.786 1.00 42.12 C ANISOU 912 CD2 LEU A 128 4876 4691 6434 621 -1446 367 C ATOM 0 H LEU A 128 -23.459 4.261 -5.439 1.00 43.54 H new ATOM 0 HA LEU A 128 -22.772 6.318 -3.834 1.00 41.89 H new ATOM 0 HB2 LEU A 128 -22.062 4.129 -3.346 1.00 40.41 H new ATOM 0 HB3 LEU A 128 -21.228 4.125 -4.664 1.00 40.41 H new ATOM 0 HG LEU A 128 -19.743 5.731 -3.685 1.00 42.67 H new ATOM 0 HD11 LEU A 128 -19.903 6.132 -1.406 1.00 42.72 H new ATOM 0 HD12 LEU A 128 -21.215 6.640 -2.132 1.00 42.72 H new ATOM 0 HD13 LEU A 128 -21.229 5.268 -1.341 1.00 42.72 H new ATOM 0 HD21 LEU A 128 -18.713 4.163 -2.288 1.00 42.12 H new ATOM 0 HD22 LEU A 128 -20.055 3.323 -2.241 1.00 42.12 H new ATOM 0 HD23 LEU A 128 -19.242 3.442 -3.595 1.00 42.12 H new ATOM 913 N ARG A 129 -21.552 6.012 -6.763 1.00 44.09 N ANISOU 913 N ARG A 129 5607 5102 6040 1553 -1096 -428 N ATOM 914 CA ARG A 129 -20.774 6.699 -7.779 1.00 46.97 C ANISOU 914 CA ARG A 129 6518 5435 5892 1582 -883 -459 C ATOM 915 C ARG A 129 -21.148 8.150 -7.825 1.00 47.67 C ANISOU 915 C ARG A 129 6777 5481 5853 1566 -1035 -309 C ATOM 916 O ARG A 129 -22.332 8.515 -7.658 1.00 49.12 O ANISOU 916 O ARG A 129 6738 5469 6456 1628 -1542 -337 O ATOM 917 CB ARG A 129 -21.019 6.103 -9.167 1.00 52.70 C ANISOU 917 CB ARG A 129 7917 5921 6184 1594 -1114 -674 C ATOM 918 CG ARG A 129 -20.490 4.713 -9.362 1.00 55.22 C ANISOU 918 CG ARG A 129 8069 6189 6721 1610 -867 -980 C ATOM 919 CD ARG A 129 -19.137 4.748 -10.039 1.00 63.80 C ANISOU 919 CD ARG A 129 9450 7221 7568 1430 -19 -1321 C ATOM 920 NE ARG A 129 -19.211 4.698 -11.497 1.00 70.00 N ANISOU 920 NE ARG A 129 11331 7816 7448 1169 171 -1648 N ATOM 921 CZ ARG A 129 -18.147 4.521 -12.290 1.00 80.50 C ANISOU 921 CZ ARG A 129 13064 9010 8511 833 1203 -2198 C ATOM 922 NH1 ARG A 129 -18.281 4.460 -13.623 1.00 87.30 N ANISOU 922 NH1 ARG A 129 15254 9675 8238 392 1449 -2531 N ATOM 923 NH2 ARG A 129 -16.931 4.406 -11.757 1.00 81.62 N ANISOU 923 NH2 ARG A 129 12323 9100 9587 847 2006 -2492 N ATOM 0 H ARG A 129 -21.887 5.259 -7.011 1.00 44.09 H new ATOM 0 HA ARG A 129 -19.839 6.595 -7.543 1.00 46.97 H new ATOM 0 HB2 ARG A 129 -21.974 6.098 -9.338 1.00 52.70 H new ATOM 0 HB3 ARG A 129 -20.615 6.684 -9.830 1.00 52.70 H new ATOM 0 HG2 ARG A 129 -20.416 4.266 -8.504 1.00 55.22 H new ATOM 0 HG3 ARG A 129 -21.112 4.197 -9.898 1.00 55.22 H new ATOM 0 HD2 ARG A 129 -18.672 5.557 -9.774 1.00 63.80 H new ATOM 0 HD3 ARG A 129 -18.607 4.000 -9.724 1.00 63.80 H new ATOM 0 HE ARG A 129 -19.982 4.787 -11.867 1.00 70.00 H new ATOM 0 HH11 ARG A 129 -19.059 4.535 -13.981 1.00 87.30 H new ATOM 0 HH12 ARG A 129 -17.588 4.346 -14.120 1.00 87.30 H new ATOM 0 HH21 ARG A 129 -16.830 4.445 -10.904 1.00 81.62 H new ATOM 0 HH22 ARG A 129 -16.247 4.292 -12.266 1.00 81.62 H new ATOM 924 N ARG A 130 -20.151 8.997 -8.059 1.00 47.90 N ANISOU 924 N ARG A 130 7088 5569 5543 1468 -605 -217 N ATOM 925 CA ARG A 130 -20.428 10.409 -8.424 1.00 49.80 C ANISOU 925 CA ARG A 130 7692 5626 5604 1414 -875 -24 C ATOM 926 C ARG A 130 -21.239 11.194 -7.357 1.00 47.25 C ANISOU 926 C ARG A 130 6656 5293 6004 1507 -1142 -41 C ATOM 927 O ARG A 130 -21.989 12.156 -7.706 1.00 51.50 O ANISOU 927 O ARG A 130 7276 5441 6849 1544 -1749 7 O ATOM 928 CB ARG A 130 -21.130 10.458 -9.811 1.00 55.80 C ANISOU 928 CB ARG A 130 9430 5947 5823 1316 -1603 57 C ATOM 0 H ARG A 130 -19.317 8.791 -8.016 1.00 47.90 H new ATOM 0 HA ARG A 130 -19.571 10.860 -8.469 1.00 49.80 H new ATOM 929 N THR A 131 -21.052 10.794 -6.090 1.00 43.33 N ANISOU 929 N THR A 131 5552 5105 5805 1454 -721 -154 N ATOM 930 CA THR A 131 -21.672 11.404 -4.885 1.00 41.96 C ANISOU 930 CA THR A 131 4810 4978 6152 1331 -573 -357 C ATOM 931 C THR A 131 -20.619 11.845 -3.934 1.00 38.23 C ANISOU 931 C THR A 131 4284 4775 5466 1161 -133 -278 C ATOM 932 O THR A 131 -19.424 11.499 -4.091 1.00 37.68 O ANISOU 932 O THR A 131 4405 4790 5121 1183 -13 -80 O ATOM 933 CB THR A 131 -22.540 10.385 -4.094 1.00 42.72 C ANISOU 933 CB THR A 131 4561 5115 6552 1139 -430 -593 C ATOM 934 OG1 THR A 131 -21.682 9.333 -3.597 1.00 41.77 O ANISOU 934 OG1 THR A 131 4652 5236 5982 978 -258 -369 O ATOM 935 CG2 THR A 131 -23.646 9.830 -4.976 1.00 46.02 C ANISOU 935 CG2 THR A 131 4886 5162 7435 1330 -971 -737 C ATOM 0 H THR A 131 -20.539 10.132 -5.895 1.00 43.33 H new ATOM 0 HA THR A 131 -22.215 12.140 -5.208 1.00 41.96 H new ATOM 0 HB THR A 131 -22.967 10.826 -3.343 1.00 42.72 H new ATOM 0 HG1 THR A 131 -21.756 8.655 -4.088 1.00 41.77 H new ATOM 0 HG21 THR A 131 -24.178 9.197 -4.469 1.00 46.02 H new ATOM 0 HG22 THR A 131 -24.212 10.556 -5.281 1.00 46.02 H new ATOM 0 HG23 THR A 131 -23.255 9.382 -5.742 1.00 46.02 H new ATOM 936 N ARG A 132 -21.044 12.620 -2.942 1.00 36.27 N ANISOU 936 N ARG A 132 3727 4554 5500 957 103 -539 N ATOM 937 CA ARG A 132 -20.132 13.147 -1.963 1.00 34.09 C ANISOU 937 CA ARG A 132 3514 4457 4982 734 368 -504 C ATOM 938 C ARG A 132 -19.506 12.054 -1.100 1.00 33.18 C ANISOU 938 C ARG A 132 3699 4476 4430 418 338 -311 C ATOM 939 O ARG A 132 -18.363 12.215 -0.660 1.00 30.70 O ANISOU 939 O ARG A 132 3526 4135 4002 349 168 -117 O ATOM 940 CB ARG A 132 -20.808 14.237 -1.067 1.00 35.99 C ANISOU 940 CB ARG A 132 3444 4649 5581 477 722 -989 C ATOM 0 H ARG A 132 -21.865 12.849 -2.826 1.00 36.27 H new ATOM 0 HA ARG A 132 -19.415 13.568 -2.462 1.00 34.09 H new ATOM 941 N LEU A 133 -20.223 10.955 -0.844 1.00 31.98 N ANISOU 941 N LEU A 133 3621 3800 4727 200 -46 -239 N ATOM 942 CA LEU A 133 -19.597 9.824 -0.097 1.00 32.41 C ANISOU 942 CA LEU A 133 3732 3952 4629 196 6 -229 C ATOM 943 C LEU A 133 -18.486 9.180 -0.910 1.00 29.84 C ANISOU 943 C LEU A 133 3489 3641 4206 183 -73 -207 C ATOM 944 O LEU A 133 -17.493 8.751 -0.365 1.00 28.71 O ANISOU 944 O LEU A 133 3397 3555 3954 181 -50 -219 O ATOM 945 CB LEU A 133 -20.607 8.740 0.252 1.00 32.32 C ANISOU 945 CB LEU A 133 3654 3943 4681 182 32 -145 C ATOM 946 CG LEU A 133 -21.910 9.155 0.937 1.00 38.75 C ANISOU 946 CG LEU A 133 4348 4786 5589 198 120 -144 C ATOM 947 CD1 LEU A 133 -22.768 7.954 1.296 1.00 37.42 C ANISOU 947 CD1 LEU A 133 4085 4635 5497 168 138 11 C ATOM 948 CD2 LEU A 133 -21.612 9.964 2.164 1.00 41.60 C ANISOU 948 CD2 LEU A 133 4669 5304 5831 241 234 -265 C ATOM 0 H LEU A 133 -21.042 10.834 -1.078 1.00 31.98 H new ATOM 0 HA LEU A 133 -19.241 10.207 0.720 1.00 32.41 H new ATOM 0 HB2 LEU A 133 -20.839 8.277 -0.568 1.00 32.32 H new ATOM 0 HB3 LEU A 133 -20.163 8.096 0.826 1.00 32.32 H new ATOM 0 HG LEU A 133 -22.413 9.696 0.309 1.00 38.75 H new ATOM 0 HD11 LEU A 133 -23.583 8.256 1.727 1.00 37.42 H new ATOM 0 HD12 LEU A 133 -22.992 7.463 0.490 1.00 37.42 H new ATOM 0 HD13 LEU A 133 -22.278 7.375 1.901 1.00 37.42 H new ATOM 0 HD21 LEU A 133 -22.444 10.222 2.591 1.00 41.60 H new ATOM 0 HD22 LEU A 133 -21.083 9.434 2.781 1.00 41.60 H new ATOM 0 HD23 LEU A 133 -21.116 10.760 1.915 1.00 41.60 H new ATOM 949 N ALA A 134 -18.666 9.033 -2.214 1.00 28.81 N ANISOU 949 N ALA A 134 3351 3493 4101 181 -173 -188 N ATOM 950 CA ALA A 134 -17.569 8.484 -3.032 1.00 28.71 C ANISOU 950 CA ALA A 134 3381 3567 3960 192 -242 -218 C ATOM 951 C ALA A 134 -16.290 9.305 -2.907 1.00 27.66 C ANISOU 951 C ALA A 134 3289 3500 3719 187 -213 -203 C ATOM 952 O ALA A 134 -15.230 8.753 -2.691 1.00 26.39 O ANISOU 952 O ALA A 134 3175 3391 3461 196 -206 -241 O ATOM 953 CB ALA A 134 -17.970 8.313 -4.499 1.00 29.41 C ANISOU 953 CB ALA A 134 3419 3726 4030 208 -356 -228 C ATOM 0 H ALA A 134 -19.385 9.234 -2.642 1.00 28.81 H new ATOM 0 HA ALA A 134 -17.384 7.601 -2.676 1.00 28.71 H new ATOM 0 HB1 ALA A 134 -17.222 7.951 -4.999 1.00 29.41 H new ATOM 0 HB2 ALA A 134 -18.724 7.705 -4.560 1.00 29.41 H new ATOM 0 HB3 ALA A 134 -18.219 9.174 -4.869 1.00 29.41 H new ATOM 954 N THR A 135 -16.402 10.630 -3.043 1.00 26.86 N ANISOU 954 N THR A 135 3145 3368 3689 171 -216 -139 N ATOM 955 CA THR A 135 -15.274 11.530 -2.941 1.00 26.10 C ANISOU 955 CA THR A 135 3047 3289 3579 159 -219 -98 C ATOM 956 C THR A 135 -14.648 11.452 -1.557 1.00 25.59 C ANISOU 956 C THR A 135 3042 3192 3487 174 -146 -204 C ATOM 957 O THR A 135 -13.433 11.371 -1.427 1.00 25.18 O ANISOU 957 O THR A 135 3031 3190 3345 172 -147 -205 O ATOM 958 CB THR A 135 -15.703 12.981 -3.302 1.00 28.72 C ANISOU 958 CB THR A 135 3266 3526 4118 133 -279 8 C ATOM 959 OG1 THR A 135 -16.343 12.906 -4.593 1.00 29.18 O ANISOU 959 OG1 THR A 135 3259 3670 4157 114 -352 139 O ATOM 960 CG2 THR A 135 -14.472 13.874 -3.411 1.00 29.86 C ANISOU 960 CG2 THR A 135 3364 3671 4310 109 -324 106 C ATOM 0 H THR A 135 -17.149 11.027 -3.199 1.00 26.86 H new ATOM 0 HA THR A 135 -14.597 11.257 -3.580 1.00 26.10 H new ATOM 0 HB THR A 135 -16.293 13.349 -2.625 1.00 28.72 H new ATOM 0 HG1 THR A 135 -16.593 13.673 -4.827 1.00 29.18 H new ATOM 0 HG21 THR A 135 -14.746 14.777 -3.636 1.00 29.86 H new ATOM 0 HG22 THR A 135 -14.001 13.881 -2.563 1.00 29.86 H new ATOM 0 HG23 THR A 135 -13.885 13.533 -4.103 1.00 29.86 H new ATOM 961 N GLU A 136 -15.465 11.405 -0.508 1.00 25.62 N ANISOU 961 N GLU A 136 3035 3157 3540 191 -81 -289 N ATOM 962 CA GLU A 136 -14.901 11.257 0.804 1.00 25.82 C ANISOU 962 CA GLU A 136 3091 3242 3475 209 -16 -379 C ATOM 963 C GLU A 136 -14.171 9.938 0.982 1.00 25.53 C ANISOU 963 C GLU A 136 3125 3281 3292 194 -5 -332 C ATOM 964 O GLU A 136 -13.095 9.929 1.604 1.00 25.28 O ANISOU 964 O GLU A 136 3133 3298 3172 194 2 -360 O ATOM 965 CB GLU A 136 -15.994 11.407 1.877 1.00 28.04 C ANISOU 965 CB GLU A 136 3301 3569 3780 240 63 -468 C ATOM 966 CG GLU A 136 -15.342 11.425 3.253 1.00 27.75 C ANISOU 966 CG GLU A 136 3265 3683 3594 268 122 -573 C ATOM 967 CD GLU A 136 -16.262 11.902 4.378 1.00 36.00 C ANISOU 967 CD GLU A 136 4192 4871 4615 326 205 -725 C ATOM 968 OE1 GLU A 136 -17.493 11.911 4.192 1.00 40.90 O ANISOU 968 OE1 GLU A 136 4738 5471 5330 334 240 -707 O ATOM 969 OE2 GLU A 136 -15.722 12.248 5.463 1.00 39.66 O ANISOU 969 OE2 GLU A 136 4621 5499 4947 372 233 -879 O ATOM 0 H GLU A 136 -16.323 11.456 -0.542 1.00 25.62 H new ATOM 0 HA GLU A 136 -14.244 11.963 0.909 1.00 25.82 H new ATOM 0 HB2 GLU A 136 -16.494 12.225 1.733 1.00 28.04 H new ATOM 0 HB3 GLU A 136 -16.626 10.674 1.816 1.00 28.04 H new ATOM 0 HG2 GLU A 136 -15.028 10.531 3.463 1.00 27.75 H new ATOM 0 HG3 GLU A 136 -14.561 12.000 3.222 1.00 27.75 H new ATOM 970 N ALA A 137 -14.708 8.840 0.411 1.00 23.68 N ANISOU 970 N ALA A 137 2886 3031 3079 182 -33 -272 N ATOM 971 CA ALA A 137 -14.037 7.542 0.545 1.00 24.90 C ANISOU 971 CA ALA A 137 3064 3201 3196 172 -63 -241 C ATOM 972 C ALA A 137 -12.576 7.634 0.004 1.00 23.14 C ANISOU 972 C ALA A 137 2892 3009 2889 182 -104 -281 C ATOM 973 O ALA A 137 -11.600 7.219 0.628 1.00 22.61 O ANISOU 973 O ALA A 137 2854 2966 2770 175 -100 -277 O ATOM 974 CB ALA A 137 -14.833 6.476 -0.195 1.00 24.40 C ANISOU 974 CB ALA A 137 2948 3066 3256 174 -138 -224 C ATOM 0 H ALA A 137 -15.438 8.830 -0.043 1.00 23.68 H new ATOM 0 HA ALA A 137 -13.992 7.295 1.482 1.00 24.90 H new ATOM 0 HB1 ALA A 137 -14.388 5.619 -0.105 1.00 24.40 H new ATOM 0 HB2 ALA A 137 -15.725 6.418 0.182 1.00 24.40 H new ATOM 0 HB3 ALA A 137 -14.894 6.711 -1.134 1.00 24.40 H new ATOM 975 N VAL A 138 -12.436 8.197 -1.173 1.00 23.45 N ANISOU 975 N VAL A 138 2919 3079 2911 195 -143 -291 N ATOM 976 CA VAL A 138 -11.120 8.298 -1.756 1.00 21.97 C ANISOU 976 CA VAL A 138 2740 2975 2630 206 -169 -298 C ATOM 977 C VAL A 138 -10.206 9.294 -0.947 1.00 23.20 C ANISOU 977 C VAL A 138 2925 3113 2777 187 -135 -269 C ATOM 978 O VAL A 138 -9.036 9.012 -0.631 1.00 23.39 O ANISOU 978 O VAL A 138 2978 3163 2745 188 -136 -282 O ATOM 979 CB VAL A 138 -11.203 8.680 -3.228 1.00 21.06 C ANISOU 979 CB VAL A 138 2558 2986 2456 220 -217 -264 C ATOM 980 CG1 VAL A 138 -9.804 8.956 -3.728 1.00 22.14 C ANISOU 980 CG1 VAL A 138 2667 3265 2476 227 -221 -227 C ATOM 981 CG2 VAL A 138 -11.764 7.548 -4.052 1.00 20.89 C ANISOU 981 CG2 VAL A 138 2495 3022 2420 263 -282 -373 C ATOM 0 H VAL A 138 -13.077 8.522 -1.646 1.00 23.45 H new ATOM 0 HA VAL A 138 -10.704 7.423 -1.703 1.00 21.97 H new ATOM 0 HB VAL A 138 -11.779 9.456 -3.313 1.00 21.06 H new ATOM 0 HG11 VAL A 138 -9.838 9.201 -4.666 1.00 22.14 H new ATOM 0 HG12 VAL A 138 -9.415 9.684 -3.218 1.00 22.14 H new ATOM 0 HG13 VAL A 138 -9.259 8.160 -3.622 1.00 22.14 H new ATOM 0 HG21 VAL A 138 -11.807 7.816 -4.983 1.00 20.89 H new ATOM 0 HG22 VAL A 138 -11.191 6.770 -3.965 1.00 20.89 H new ATOM 0 HG23 VAL A 138 -12.655 7.330 -3.738 1.00 20.89 H new ATOM 982 N PHE A 139 -10.744 10.457 -0.623 1.00 24.87 N ANISOU 982 N PHE A 139 3106 3258 3082 176 -125 -253 N ATOM 983 CA PHE A 139 -10.022 11.425 0.220 1.00 24.20 C ANISOU 983 CA PHE A 139 3016 3122 3053 174 -128 -289 C ATOM 984 C PHE A 139 -9.534 10.790 1.514 1.00 23.59 C ANISOU 984 C PHE A 139 2999 3088 2873 184 -88 -373 C ATOM 985 O PHE A 139 -8.394 11.039 1.896 1.00 23.07 O ANISOU 985 O PHE A 139 2950 3027 2788 182 -112 -391 O ATOM 986 CB PHE A 139 -10.984 12.527 0.575 1.00 27.27 C ANISOU 986 CB PHE A 139 3333 3414 3612 186 -140 -345 C ATOM 987 CG PHE A 139 -10.448 13.524 1.530 1.00 32.56 C ANISOU 987 CG PHE A 139 3962 4016 4393 209 -174 -471 C ATOM 988 CD1 PHE A 139 -9.813 14.640 1.074 1.00 38.43 C ANISOU 988 CD1 PHE A 139 4614 4637 5348 192 -274 -407 C ATOM 989 CD2 PHE A 139 -10.718 13.412 2.899 1.00 38.94 C ANISOU 989 CD2 PHE A 139 4778 4900 5117 253 -122 -657 C ATOM 990 CE1 PHE A 139 -9.359 15.617 1.974 1.00 38.56 C ANISOU 990 CE1 PHE A 139 4558 4544 5546 226 -347 -574 C ATOM 991 CE2 PHE A 139 -10.273 14.362 3.780 1.00 40.55 C ANISOU 991 CE2 PHE A 139 4916 5071 5420 297 -176 -848 C ATOM 992 CZ PHE A 139 -9.596 15.466 3.313 1.00 42.47 C ANISOU 992 CZ PHE A 139 5076 5128 5930 288 -301 -831 C ATOM 0 H PHE A 139 -11.525 10.715 -0.875 1.00 24.87 H new ATOM 0 HA PHE A 139 -9.251 11.752 -0.270 1.00 24.20 H new ATOM 0 HB2 PHE A 139 -11.249 12.984 -0.238 1.00 27.27 H new ATOM 0 HB3 PHE A 139 -11.786 12.132 0.952 1.00 27.27 H new ATOM 0 HD1 PHE A 139 -9.680 14.755 0.161 1.00 38.43 H new ATOM 0 HD2 PHE A 139 -11.205 12.685 3.214 1.00 38.94 H new ATOM 0 HE1 PHE A 139 -8.900 16.363 1.662 1.00 38.56 H new ATOM 0 HE2 PHE A 139 -10.428 14.261 4.691 1.00 40.55 H new ATOM 0 HZ PHE A 139 -9.298 16.113 3.911 1.00 42.47 H new ATOM 993 N LEU A 140 -10.336 9.940 2.152 1.00 23.92 N ANISOU 993 N LEU A 140 3051 3179 2856 186 -39 -384 N ATOM 994 CA LEU A 140 -9.894 9.252 3.411 1.00 24.06 C ANISOU 994 CA LEU A 140 3088 3297 2757 180 -9 -385 C ATOM 995 C LEU A 140 -8.704 8.272 3.205 1.00 24.07 C ANISOU 995 C LEU A 140 3130 3289 2725 159 -53 -318 C ATOM 996 O LEU A 140 -7.794 8.217 4.064 1.00 23.24 O ANISOU 996 O LEU A 140 3041 3241 2545 151 -61 -321 O ATOM 997 CB LEU A 140 -11.034 8.542 4.073 1.00 25.07 C ANISOU 997 CB LEU A 140 3165 3509 2850 172 45 -326 C ATOM 998 CG LEU A 140 -12.082 9.386 4.717 1.00 26.13 C ANISOU 998 CG LEU A 140 3230 3727 2971 206 109 -423 C ATOM 999 CD1 LEU A 140 -13.359 8.530 5.096 1.00 29.94 C ANISOU 999 CD1 LEU A 140 3631 4301 3441 188 170 -296 C ATOM 1000 CD2 LEU A 140 -11.470 10.083 5.959 1.00 30.49 C ANISOU 1000 CD2 LEU A 140 3755 4441 3387 245 125 -569 C ATOM 0 H LEU A 140 -11.131 9.738 1.893 1.00 23.92 H new ATOM 0 HA LEU A 140 -9.575 9.961 3.991 1.00 24.06 H new ATOM 0 HB2 LEU A 140 -11.465 7.982 3.409 1.00 25.07 H new ATOM 0 HB3 LEU A 140 -10.668 7.950 4.749 1.00 25.07 H new ATOM 0 HG LEU A 140 -12.382 10.063 4.090 1.00 26.13 H new ATOM 0 HD11 LEU A 140 -14.022 9.104 5.512 1.00 29.94 H new ATOM 0 HD12 LEU A 140 -13.733 8.134 4.294 1.00 29.94 H new ATOM 0 HD13 LEU A 140 -13.106 7.828 5.715 1.00 29.94 H new ATOM 0 HD21 LEU A 140 -12.144 10.635 6.386 1.00 30.49 H new ATOM 0 HD22 LEU A 140 -11.158 9.412 6.586 1.00 30.49 H new ATOM 0 HD23 LEU A 140 -10.724 10.639 5.684 1.00 30.49 H new ATOM 1001 N LEU A 141 -8.629 7.595 2.030 1.00 23.42 N ANISOU 1001 N LEU A 141 3045 3149 2703 161 -94 -293 N ATOM 1002 CA LEU A 141 -7.462 6.773 1.765 1.00 23.04 C ANISOU 1002 CA LEU A 141 3003 3092 2658 163 -144 -291 C ATOM 1003 C LEU A 141 -6.278 7.609 1.443 1.00 24.41 C ANISOU 1003 C LEU A 141 3195 3291 2787 171 -150 -313 C ATOM 1004 O LEU A 141 -5.173 7.238 1.845 1.00 24.60 O ANISOU 1004 O LEU A 141 3232 3317 2797 165 -174 -308 O ATOM 1005 CB LEU A 141 -7.706 5.724 0.698 1.00 24.80 C ANISOU 1005 CB LEU A 141 3176 3278 2965 190 -205 -334 C ATOM 1006 CG LEU A 141 -8.647 4.562 1.022 1.00 24.64 C ANISOU 1006 CG LEU A 141 3096 3171 3092 175 -250 -289 C ATOM 1007 CD1 LEU A 141 -8.557 3.544 -0.072 1.00 27.17 C ANISOU 1007 CD1 LEU A 141 3341 3434 3547 225 -356 -416 C ATOM 1008 CD2 LEU A 141 -8.404 3.895 2.401 1.00 29.13 C ANISOU 1008 CD2 LEU A 141 3638 3725 3705 124 -259 -141 C ATOM 0 H LEU A 141 -9.225 7.607 1.410 1.00 23.42 H new ATOM 0 HA LEU A 141 -7.276 6.288 2.584 1.00 23.04 H new ATOM 0 HB2 LEU A 141 -8.054 6.176 -0.087 1.00 24.80 H new ATOM 0 HB3 LEU A 141 -6.847 5.348 0.451 1.00 24.80 H new ATOM 0 HG LEU A 141 -9.539 4.938 1.079 1.00 24.64 H new ATOM 0 HD11 LEU A 141 -9.151 2.803 0.126 1.00 27.17 H new ATOM 0 HD12 LEU A 141 -8.816 3.950 -0.914 1.00 27.17 H new ATOM 0 HD13 LEU A 141 -7.646 3.219 -0.137 1.00 27.17 H new ATOM 0 HD21 LEU A 141 -9.039 3.172 2.527 1.00 29.13 H new ATOM 0 HD22 LEU A 141 -7.501 3.542 2.435 1.00 29.13 H new ATOM 0 HD23 LEU A 141 -8.520 4.553 3.104 1.00 29.13 H new ATOM 1009 N LEU A 142 -6.446 8.751 0.771 1.00 23.22 N ANISOU 1009 N LEU A 142 3024 3149 2649 176 -142 -303 N ATOM 1010 CA LEU A 142 -5.276 9.625 0.531 1.00 23.84 C ANISOU 1010 CA LEU A 142 3077 3238 2741 169 -165 -263 C ATOM 1011 C LEU A 142 -4.747 10.159 1.884 1.00 23.70 C ANISOU 1011 C LEU A 142 3091 3164 2749 159 -178 -313 C ATOM 1012 O LEU A 142 -3.533 10.029 2.203 1.00 22.84 O ANISOU 1012 O LEU A 142 2993 3058 2626 153 -205 -307 O ATOM 1013 CB LEU A 142 -5.679 10.746 -0.418 1.00 24.81 C ANISOU 1013 CB LEU A 142 3121 3369 2936 159 -182 -172 C ATOM 1014 CG LEU A 142 -5.869 10.293 -1.874 1.00 26.76 C ANISOU 1014 CG LEU A 142 3306 3772 3088 175 -181 -113 C ATOM 1015 CD1 LEU A 142 -6.613 11.411 -2.641 1.00 22.96 C ANISOU 1015 CD1 LEU A 142 2730 3303 2689 148 -210 29 C ATOM 1016 CD2 LEU A 142 -4.482 10.003 -2.490 1.00 24.23 C ANISOU 1016 CD2 LEU A 142 2930 3603 2672 190 -183 -76 C ATOM 0 H LEU A 142 -7.193 9.035 0.455 1.00 23.22 H new ATOM 0 HA LEU A 142 -4.555 9.129 0.113 1.00 23.84 H new ATOM 0 HB2 LEU A 142 -6.505 11.143 -0.102 1.00 24.81 H new ATOM 0 HB3 LEU A 142 -5.002 11.440 -0.390 1.00 24.81 H new ATOM 0 HG LEU A 142 -6.397 9.481 -1.926 1.00 26.76 H new ATOM 0 HD11 LEU A 142 -6.741 11.141 -3.564 1.00 22.96 H new ATOM 0 HD12 LEU A 142 -7.476 11.568 -2.228 1.00 22.96 H new ATOM 0 HD13 LEU A 142 -6.089 12.227 -2.614 1.00 22.96 H new ATOM 0 HD21 LEU A 142 -4.590 9.716 -3.410 1.00 24.23 H new ATOM 0 HD22 LEU A 142 -3.942 10.808 -2.464 1.00 24.23 H new ATOM 0 HD23 LEU A 142 -4.042 9.303 -1.983 1.00 24.23 H new ATOM 1017 N LYS A 143 -5.667 10.731 2.675 1.00 22.60 N ANISOU 1017 N LYS A 143 2948 3001 2637 169 -165 -390 N ATOM 1018 CA LYS A 143 -5.300 11.308 3.959 1.00 26.47 C ANISOU 1018 CA LYS A 143 3433 3502 3119 184 -190 -508 C ATOM 1019 C LYS A 143 -4.543 10.279 4.753 1.00 25.07 C ANISOU 1019 C LYS A 143 3306 3417 2800 170 -185 -482 C ATOM 1020 O LYS A 143 -3.473 10.559 5.291 1.00 25.18 O ANISOU 1020 O LYS A 143 3323 3431 2811 170 -236 -518 O ATOM 1021 CB LYS A 143 -6.543 11.731 4.721 1.00 28.01 C ANISOU 1021 CB LYS A 143 3591 3748 3302 218 -155 -635 C ATOM 1022 CG LYS A 143 -6.278 12.425 6.084 1.00 31.36 C ANISOU 1022 CG LYS A 143 3970 4260 3684 266 -190 -843 C ATOM 1023 CD LYS A 143 -7.627 12.527 6.797 1.00 36.08 C ANISOU 1023 CD LYS A 143 4506 5005 4196 311 -121 -970 C ATOM 1024 CE LYS A 143 -7.575 13.490 7.990 1.00 42.60 C ANISOU 1024 CE LYS A 143 5233 5953 5000 395 -169 -1278 C ATOM 1025 NZ LYS A 143 -8.928 14.147 8.102 1.00 47.05 N ANISOU 1025 NZ LYS A 143 5687 6538 5648 459 -134 -1453 N ATOM 0 H LYS A 143 -6.503 10.791 2.480 1.00 22.60 H new ATOM 0 HA LYS A 143 -4.746 12.091 3.815 1.00 26.47 H new ATOM 0 HB2 LYS A 143 -7.058 12.334 4.162 1.00 28.01 H new ATOM 0 HB3 LYS A 143 -7.093 10.947 4.875 1.00 28.01 H new ATOM 0 HG2 LYS A 143 -5.647 11.913 6.614 1.00 31.36 H new ATOM 0 HG3 LYS A 143 -5.891 13.305 5.953 1.00 31.36 H new ATOM 0 HD2 LYS A 143 -8.302 12.828 6.169 1.00 36.08 H new ATOM 0 HD3 LYS A 143 -7.897 11.647 7.104 1.00 36.08 H new ATOM 0 HE2 LYS A 143 -7.360 13.011 8.806 1.00 42.60 H new ATOM 0 HE3 LYS A 143 -6.882 14.156 7.861 1.00 42.60 H new ATOM 0 HZ1 LYS A 143 -8.927 14.713 8.789 1.00 47.05 H new ATOM 0 HZ2 LYS A 143 -9.106 14.591 7.352 1.00 47.05 H new ATOM 0 HZ3 LYS A 143 -9.551 13.525 8.232 1.00 47.05 H new ATOM 1026 N THR A 144 -5.091 9.056 4.785 1.00 23.81 N ANISOU 1026 N THR A 144 3163 3315 2568 152 -145 -396 N ATOM 1027 CA THR A 144 -4.542 8.015 5.591 1.00 25.44 C ANISOU 1027 CA THR A 144 3374 3595 2695 125 -162 -314 C ATOM 1028 C THR A 144 -3.150 7.604 5.140 1.00 24.28 C ANISOU 1028 C THR A 144 3246 3371 2608 114 -218 -280 C ATOM 1029 O THR A 144 -2.261 7.346 5.971 1.00 24.85 O ANISOU 1029 O THR A 144 3320 3486 2635 96 -260 -249 O ATOM 1030 CB THR A 144 -5.491 6.787 5.670 1.00 24.78 C ANISOU 1030 CB THR A 144 3252 3539 2625 98 -142 -185 C ATOM 1031 OG1 THR A 144 -6.761 7.151 6.287 1.00 25.37 O ANISOU 1031 OG1 THR A 144 3284 3737 2617 107 -75 -196 O ATOM 1032 CG2 THR A 144 -4.851 5.699 6.480 1.00 28.31 C ANISOU 1032 CG2 THR A 144 3660 4035 3061 54 -193 -35 C ATOM 0 H THR A 144 -5.788 8.829 4.335 1.00 23.81 H new ATOM 0 HA THR A 144 -4.454 8.380 6.485 1.00 25.44 H new ATOM 0 HB THR A 144 -5.656 6.476 4.766 1.00 24.78 H new ATOM 0 HG1 THR A 144 -7.259 7.510 5.713 1.00 25.37 H new ATOM 0 HG21 THR A 144 -5.448 4.936 6.526 1.00 28.31 H new ATOM 0 HG22 THR A 144 -4.017 5.432 6.062 1.00 28.31 H new ATOM 0 HG23 THR A 144 -4.674 6.024 7.376 1.00 28.31 H new ATOM 1033 N ALA A 145 -2.963 7.499 3.833 1.00 24.92 N ANISOU 1033 N ALA A 145 3319 3377 2772 130 -220 -285 N ATOM 1034 CA ALA A 145 -1.677 7.105 3.296 1.00 24.52 C ANISOU 1034 CA ALA A 145 3252 3298 2766 136 -259 -277 C ATOM 1035 C ALA A 145 -0.609 8.160 3.616 1.00 25.99 C ANISOU 1035 C ALA A 145 3442 3474 2956 130 -283 -285 C ATOM 1036 O ALA A 145 0.553 7.809 4.049 1.00 26.93 O ANISOU 1036 O ALA A 145 3559 3579 3092 119 -329 -265 O ATOM 1037 CB ALA A 145 -1.780 6.853 1.744 1.00 24.34 C ANISOU 1037 CB ALA A 145 3177 3300 2769 174 -246 -311 C ATOM 0 H ALA A 145 -3.569 7.652 3.242 1.00 24.92 H new ATOM 0 HA ALA A 145 -1.409 6.274 3.718 1.00 24.52 H new ATOM 0 HB1 ALA A 145 -0.912 6.590 1.400 1.00 24.34 H new ATOM 0 HB2 ALA A 145 -2.422 6.147 1.573 1.00 24.34 H new ATOM 0 HB3 ALA A 145 -2.069 7.667 1.302 1.00 24.34 H new ATOM 1038 N PHE A 146 -0.933 9.419 3.404 1.00 23.18 N ANISOU 1038 N PHE A 146 3068 3096 2640 136 -279 -305 N ATOM 1039 CA PHE A 146 0.053 10.459 3.686 1.00 25.80 C ANISOU 1039 CA PHE A 146 3367 3370 3066 130 -340 -311 C ATOM 1040 C PHE A 146 0.347 10.554 5.201 1.00 27.16 C ANISOU 1040 C PHE A 146 3571 3560 3185 132 -392 -415 C ATOM 1041 O PHE A 146 1.508 10.746 5.609 1.00 28.05 O ANISOU 1041 O PHE A 146 3671 3640 3344 124 -459 -419 O ATOM 1042 CB PHE A 146 -0.368 11.798 3.034 1.00 23.91 C ANISOU 1042 CB PHE A 146 3047 3058 2980 129 -365 -280 C ATOM 1043 CG PHE A 146 -0.381 11.713 1.513 1.00 24.58 C ANISOU 1043 CG PHE A 146 3063 3213 3062 120 -325 -124 C ATOM 1044 CD1 PHE A 146 0.797 11.432 0.831 1.00 22.01 C ANISOU 1044 CD1 PHE A 146 2678 2969 2715 115 -320 -20 C ATOM 1045 CD2 PHE A 146 -1.534 11.879 0.765 1.00 25.00 C ANISOU 1045 CD2 PHE A 146 3090 3301 3106 122 -293 -86 C ATOM 1046 CE1 PHE A 146 0.853 11.332 -0.533 1.00 21.89 C ANISOU 1046 CE1 PHE A 146 2563 3124 2628 122 -277 103 C ATOM 1047 CE2 PHE A 146 -1.491 11.760 -0.641 1.00 23.85 C ANISOU 1047 CE2 PHE A 146 2858 3307 2895 121 -263 53 C ATOM 1048 CZ PHE A 146 -0.341 11.475 -1.295 1.00 25.53 C ANISOU 1048 CZ PHE A 146 2999 3659 3042 126 -250 139 C ATOM 0 H PHE A 146 -1.692 9.695 3.107 1.00 23.18 H new ATOM 0 HA PHE A 146 0.899 10.219 3.277 1.00 25.80 H new ATOM 0 HB2 PHE A 146 -1.250 12.048 3.351 1.00 23.91 H new ATOM 0 HB3 PHE A 146 0.242 12.499 3.313 1.00 23.91 H new ATOM 0 HD1 PHE A 146 1.578 11.307 1.321 1.00 22.01 H new ATOM 0 HD2 PHE A 146 -2.339 12.069 1.190 1.00 25.00 H new ATOM 0 HE1 PHE A 146 1.664 11.172 -0.958 1.00 21.89 H new ATOM 0 HE2 PHE A 146 -2.273 11.881 -1.130 1.00 23.85 H new ATOM 0 HZ PHE A 146 -0.331 11.375 -2.220 1.00 25.53 H new ATOM 1049 N GLU A 147 -0.677 10.365 6.041 1.00 29.32 N ANISOU 1049 N GLU A 147 3867 3930 3340 144 -361 -490 N ATOM 1050 CA GLU A 147 -0.459 10.343 7.514 1.00 30.05 C ANISOU 1050 CA GLU A 147 3960 4162 3295 154 -401 -581 C ATOM 1051 C GLU A 147 0.402 9.146 7.907 1.00 31.24 C ANISOU 1051 C GLU A 147 4133 4366 3368 112 -423 -441 C ATOM 1052 O GLU A 147 1.066 9.139 8.944 1.00 30.57 O ANISOU 1052 O GLU A 147 4037 4387 3190 108 -487 -467 O ATOM 1053 CB GLU A 147 -1.799 10.346 8.299 1.00 32.28 C ANISOU 1053 CB GLU A 147 4217 4629 3420 181 -342 -663 C ATOM 1054 CG GLU A 147 -2.432 11.747 8.225 1.00 37.46 C ANISOU 1054 CG GLU A 147 4814 5218 4200 241 -364 -879 C ATOM 1055 CD GLU A 147 -3.752 11.935 8.993 1.00 42.55 C ANISOU 1055 CD GLU A 147 5399 6066 4701 291 -302 -1023 C ATOM 1056 OE1 GLU A 147 -4.351 10.939 9.485 1.00 43.13 O ANISOU 1056 OE1 GLU A 147 5473 6352 4561 267 -219 -893 O ATOM 1057 OE2 GLU A 147 -4.174 13.111 9.016 1.00 41.19 O ANISOU 1057 OE2 GLU A 147 5151 5818 4681 353 -348 -1250 O ATOM 0 H GLU A 147 -1.493 10.249 5.795 1.00 29.32 H new ATOM 0 HA GLU A 147 0.012 11.156 7.754 1.00 30.05 H new ATOM 0 HB2 GLU A 147 -2.405 9.686 7.927 1.00 32.28 H new ATOM 0 HB3 GLU A 147 -1.644 10.099 9.224 1.00 32.28 H new ATOM 0 HG2 GLU A 147 -1.789 12.391 8.561 1.00 37.46 H new ATOM 0 HG3 GLU A 147 -2.588 11.963 7.292 1.00 37.46 H new ATOM 1058 N LEU A 148 0.424 8.116 7.076 1.00 30.89 N ANISOU 1058 N LEU A 148 3827 4290 3620 166 -281 -294 N ATOM 1059 CA LEU A 148 1.208 6.905 7.379 1.00 30.90 C ANISOU 1059 CA LEU A 148 3882 4274 3583 138 -272 -246 C ATOM 1060 C LEU A 148 2.611 7.021 6.845 1.00 29.82 C ANISOU 1060 C LEU A 148 3761 4059 3507 156 -298 -232 C ATOM 1061 O LEU A 148 3.409 6.071 7.004 1.00 29.85 O ANISOU 1061 O LEU A 148 3810 4046 3483 154 -299 -198 O ATOM 1062 CB LEU A 148 0.558 5.632 6.785 1.00 30.70 C ANISOU 1062 CB LEU A 148 3896 4256 3511 75 -237 -185 C ATOM 1063 CG LEU A 148 -0.504 4.901 7.664 1.00 33.97 C ANISOU 1063 CG LEU A 148 4316 4762 3826 27 -210 -172 C ATOM 1064 CD1 LEU A 148 -1.323 5.879 8.525 1.00 43.48 C ANISOU 1064 CD1 LEU A 148 5447 6066 5005 61 -208 -236 C ATOM 1065 CD2 LEU A 148 -1.374 3.969 6.808 1.00 35.51 C ANISOU 1065 CD2 LEU A 148 4538 4962 3991 -49 -182 -119 C ATOM 0 H LEU A 148 -0.004 8.088 6.330 1.00 30.89 H new ATOM 0 HA LEU A 148 1.228 6.827 8.346 1.00 30.90 H new ATOM 0 HB2 LEU A 148 0.139 5.872 5.944 1.00 30.70 H new ATOM 0 HB3 LEU A 148 1.265 5.001 6.580 1.00 30.70 H new ATOM 0 HG LEU A 148 -0.032 4.339 8.298 1.00 33.97 H new ATOM 0 HD11 LEU A 148 -1.968 5.383 9.053 1.00 43.48 H new ATOM 0 HD12 LEU A 148 -0.728 6.366 9.116 1.00 43.48 H new ATOM 0 HD13 LEU A 148 -1.790 6.505 7.949 1.00 43.48 H new ATOM 0 HD21 LEU A 148 -2.026 3.525 7.373 1.00 35.51 H new ATOM 0 HD22 LEU A 148 -1.834 4.488 6.130 1.00 35.51 H new ATOM 0 HD23 LEU A 148 -0.812 3.304 6.380 1.00 35.51 H new ATOM 1066 N GLY A 149 2.913 8.166 6.248 1.00 27.25 N ANISOU 1066 N GLY A 149 3404 3694 3257 175 -323 -257 N ATOM 1067 CA GLY A 149 4.236 8.436 5.749 1.00 26.94 C ANISOU 1067 CA GLY A 149 3363 3601 3271 180 -348 -244 C ATOM 1068 C GLY A 149 4.542 8.065 4.321 1.00 25.91 C ANISOU 1068 C GLY A 149 3238 3431 3173 157 -334 -193 C ATOM 1069 O GLY A 149 5.723 8.083 3.895 1.00 24.13 O ANISOU 1069 O GLY A 149 3005 3186 2976 160 -348 -176 O ATOM 0 H GLY A 149 2.351 8.805 6.124 1.00 27.25 H new ATOM 0 HA2 GLY A 149 4.405 9.386 5.852 1.00 26.94 H new ATOM 0 HA3 GLY A 149 4.869 7.972 6.319 1.00 26.94 H new ATOM 1070 N TYR A 150 3.486 7.773 3.557 1.00 24.46 N ANISOU 1070 N TYR A 150 3060 3248 2982 135 -305 -172 N ATOM 1071 CA TYR A 150 3.646 7.535 2.071 1.00 24.90 C ANISOU 1071 CA TYR A 150 3120 3269 3070 115 -292 -128 C ATOM 1072 C TYR A 150 4.018 8.837 1.388 1.00 23.91 C ANISOU 1072 C TYR A 150 2959 3109 3017 116 -319 -136 C ATOM 1073 O TYR A 150 3.525 9.958 1.758 1.00 25.88 O ANISOU 1073 O TYR A 150 3190 3349 3295 128 -344 -175 O ATOM 1074 CB TYR A 150 2.427 6.776 1.430 1.00 25.04 C ANISOU 1074 CB TYR A 150 3158 3301 3054 84 -259 -103 C ATOM 1075 CG TYR A 150 2.408 5.343 1.861 1.00 23.42 C ANISOU 1075 CG TYR A 150 3011 3107 2780 67 -242 -78 C ATOM 1076 CD1 TYR A 150 3.126 4.366 1.155 1.00 20.82 C ANISOU 1076 CD1 TYR A 150 2730 2742 2439 70 -239 -42 C ATOM 1077 CD2 TYR A 150 1.802 4.983 3.052 1.00 27.67 C ANISOU 1077 CD2 TYR A 150 3563 3690 3260 55 -235 -91 C ATOM 1078 CE1 TYR A 150 3.138 3.035 1.588 1.00 23.29 C ANISOU 1078 CE1 TYR A 150 3118 3046 2685 60 -236 -19 C ATOM 1079 CE2 TYR A 150 1.854 3.682 3.556 1.00 25.76 C ANISOU 1079 CE2 TYR A 150 3390 3448 2950 32 -229 -61 C ATOM 1080 CZ TYR A 150 2.580 2.732 2.841 1.00 27.62 C ANISOU 1080 CZ TYR A 150 3686 3627 3178 39 -234 -26 C ATOM 1081 OH TYR A 150 2.563 1.494 3.313 1.00 29.06 O ANISOU 1081 OH TYR A 150 3953 3793 3292 20 -236 2 O ATOM 0 H TYR A 150 2.680 7.704 3.849 1.00 24.46 H new ATOM 0 HA TYR A 150 4.381 6.918 1.928 1.00 24.90 H new ATOM 0 HB2 TYR A 150 1.598 7.208 1.691 1.00 25.04 H new ATOM 0 HB3 TYR A 150 2.481 6.827 0.463 1.00 25.04 H new ATOM 0 HD1 TYR A 150 3.599 4.605 0.391 1.00 20.82 H new ATOM 0 HD2 TYR A 150 1.343 5.632 3.535 1.00 27.67 H new ATOM 0 HE1 TYR A 150 3.507 2.366 1.058 1.00 23.29 H new ATOM 0 HE2 TYR A 150 1.417 3.456 4.345 1.00 25.76 H new ATOM 0 HH TYR A 150 2.435 1.512 4.143 1.00 29.06 H new ATOM 1082 N ARG A 151 4.904 8.726 0.415 1.00 21.92 N ANISOU 1082 N ARG A 151 2699 2836 2790 104 -319 -99 N ATOM 1083 CA ARG A 151 5.386 9.859 -0.420 1.00 22.53 C ANISOU 1083 CA ARG A 151 2747 2882 2929 84 -344 -87 C ATOM 1084 C ARG A 151 4.684 9.972 -1.770 1.00 21.18 C ANISOU 1084 C ARG A 151 2577 2693 2777 66 -327 -53 C ATOM 1085 O ARG A 151 4.651 11.031 -2.357 1.00 21.64 O ANISOU 1085 O ARG A 151 2623 2717 2882 50 -351 -45 O ATOM 1086 CB ARG A 151 6.894 9.684 -0.702 1.00 23.34 C ANISOU 1086 CB ARG A 151 2828 3002 3037 76 -352 -61 C ATOM 1087 CG ARG A 151 7.739 9.775 0.504 1.00 26.91 C ANISOU 1087 CG ARG A 151 3269 3475 3478 90 -377 -93 C ATOM 1088 CD ARG A 151 9.206 9.662 0.190 1.00 24.46 C ANISOU 1088 CD ARG A 151 2920 3205 3168 83 -386 -70 C ATOM 1089 NE ARG A 151 9.654 10.841 -0.433 1.00 24.93 N ANISOU 1089 NE ARG A 151 2944 3247 3279 30 -413 -53 N ATOM 1090 CZ ARG A 151 10.278 10.934 -1.593 1.00 24.97 C ANISOU 1090 CZ ARG A 151 2915 3277 3294 -1 -405 -7 C ATOM 1091 NH1 ARG A 151 10.471 9.900 -2.360 1.00 26.02 N ANISOU 1091 NH1 ARG A 151 3043 3453 3389 26 -368 19 N ATOM 1092 NH2 ARG A 151 10.634 12.151 -2.022 1.00 28.16 N ANISOU 1092 NH2 ARG A 151 3297 3658 3745 -67 -438 11 N ATOM 0 H ARG A 151 5.263 7.974 0.202 1.00 21.92 H new ATOM 0 HA ARG A 151 5.193 10.663 0.088 1.00 22.53 H new ATOM 0 HB2 ARG A 151 7.038 8.822 -1.123 1.00 23.34 H new ATOM 0 HB3 ARG A 151 7.177 10.361 -1.337 1.00 23.34 H new ATOM 0 HG2 ARG A 151 7.571 10.620 0.950 1.00 26.91 H new ATOM 0 HG3 ARG A 151 7.489 9.072 1.124 1.00 26.91 H new ATOM 0 HD2 ARG A 151 9.708 9.506 1.005 1.00 24.46 H new ATOM 0 HD3 ARG A 151 9.363 8.900 -0.390 1.00 24.46 H new ATOM 0 HE ARG A 151 9.506 11.578 -0.015 1.00 24.93 H new ATOM 0 HH11 ARG A 151 10.188 9.125 -2.116 1.00 26.02 H new ATOM 0 HH12 ARG A 151 10.881 9.992 -3.110 1.00 26.02 H new ATOM 0 HH21 ARG A 151 10.455 12.844 -1.546 1.00 28.16 H new ATOM 0 HH22 ARG A 151 11.042 12.240 -2.774 1.00 28.16 H new ATOM 1093 N ARG A 152 4.112 8.884 -2.247 1.00 19.86 N ANISOU 1093 N ARG A 152 2431 2545 2570 67 -292 -33 N ATOM 1094 CA ARG A 152 3.551 8.797 -3.573 1.00 21.46 C ANISOU 1094 CA ARG A 152 2632 2739 2780 50 -275 -1 C ATOM 1095 C ARG A 152 2.310 7.862 -3.499 1.00 21.66 C ANISOU 1095 C ARG A 152 2684 2788 2757 45 -248 -6 C ATOM 1096 O ARG A 152 2.440 6.729 -3.001 1.00 22.51 O ANISOU 1096 O ARG A 152 2827 2908 2815 44 -233 -4 O ATOM 1097 CB ARG A 152 4.606 8.143 -4.487 1.00 21.25 C ANISOU 1097 CB ARG A 152 2606 2724 2743 48 -262 37 C ATOM 1098 CG ARG A 152 4.119 7.834 -5.914 1.00 20.51 C ANISOU 1098 CG ARG A 152 2517 2630 2643 35 -242 71 C ATOM 1099 CD ARG A 152 5.079 6.922 -6.672 1.00 22.97 C ANISOU 1099 CD ARG A 152 2836 2968 2924 50 -226 96 C ATOM 1100 NE ARG A 152 4.544 6.490 -7.948 1.00 21.68 N ANISOU 1100 NE ARG A 152 2686 2807 2744 43 -208 120 N ATOM 1101 CZ ARG A 152 4.277 7.305 -9.008 1.00 18.57 C ANISOU 1101 CZ ARG A 152 2262 2412 2379 20 -210 147 C ATOM 1102 NH1 ARG A 152 4.603 8.582 -9.038 1.00 20.07 N ANISOU 1102 NH1 ARG A 152 2416 2591 2617 0 -232 160 N ATOM 1103 NH2 ARG A 152 3.673 6.813 -10.053 1.00 22.37 N ANISOU 1103 NH2 ARG A 152 2760 2901 2838 17 -194 163 N ATOM 0 H ARG A 152 4.038 8.157 -1.794 1.00 19.86 H new ATOM 0 HA ARG A 152 3.301 9.671 -3.912 1.00 21.46 H new ATOM 0 HB2 ARG A 152 5.377 8.729 -4.541 1.00 21.25 H new ATOM 0 HB3 ARG A 152 4.906 7.318 -4.075 1.00 21.25 H new ATOM 0 HG2 ARG A 152 3.245 7.415 -5.871 1.00 20.51 H new ATOM 0 HG3 ARG A 152 4.012 8.665 -6.403 1.00 20.51 H new ATOM 0 HD2 ARG A 152 5.917 7.389 -6.817 1.00 22.97 H new ATOM 0 HD3 ARG A 152 5.278 6.144 -6.128 1.00 22.97 H new ATOM 0 HE ARG A 152 4.382 5.651 -8.044 1.00 21.68 H new ATOM 0 HH11 ARG A 152 5.004 8.939 -8.367 1.00 20.07 H new ATOM 0 HH12 ARG A 152 4.414 9.058 -9.729 1.00 20.07 H new ATOM 0 HH21 ARG A 152 3.448 5.983 -10.068 1.00 22.37 H new ATOM 0 HH22 ARG A 152 3.500 7.318 -10.727 1.00 22.37 H new ATOM 1104 N CYS A 153 1.164 8.310 -3.989 1.00 21.27 N ANISOU 1104 N CYS A 153 2619 2745 2717 39 -247 -12 N ATOM 1105 CA ACYS A 153 -0.061 7.588 -4.051 0.50 21.75 C ANISOU 1105 CA ACYS A 153 2690 2843 2730 18 -222 -11 C ATOM 1106 CA BCYS A 153 -0.026 7.572 -4.063 0.50 21.25 C ANISOU 1106 CA BCYS A 153 2627 2779 2667 18 -222 -11 C ATOM 1107 C CYS A 153 -0.475 7.380 -5.540 1.00 22.45 C ANISOU 1107 C CYS A 153 2775 2924 2829 2 -214 20 C ATOM 1108 O CYS A 153 -0.598 8.441 -6.085 1.00 22.83 O ANISOU 1108 O CYS A 153 2796 2957 2919 17 -232 23 O ATOM 1109 CB ACYS A 153 -1.208 8.199 -3.240 0.50 23.04 C ANISOU 1109 CB ACYS A 153 2821 3050 2881 32 -228 -53 C ATOM 1110 CB BCYS A 153 -1.160 8.112 -3.220 0.50 22.42 C ANISOU 1110 CB BCYS A 153 2746 2972 2800 30 -227 -52 C ATOM 1111 SG ACYS A 153 -1.053 8.002 -1.453 0.50 25.69 S ANISOU 1111 SG ACYS A 153 3161 3419 3178 44 -230 -92 S ATOM 1112 SG BCYS A 153 -2.453 6.926 -3.155 0.50 21.91 S ANISOU 1112 SG BCYS A 153 2688 2976 2661 -19 -194 -44 S ATOM 0 H ACYS A 153 1.092 9.103 -4.314 0.50 21.27 H new ATOM 0 H BCYS A 153 1.081 9.107 -4.301 0.50 21.27 H new ATOM 0 HA ACYS A 153 0.109 6.732 -3.628 0.50 21.25 H new ATOM 0 HA BCYS A 153 0.190 6.708 -3.677 0.50 21.25 H new ATOM 0 HB2ACYS A 153 -1.265 9.145 -3.445 0.50 22.42 H new ATOM 0 HB2BCYS A 153 -0.845 8.311 -2.325 0.50 22.42 H new ATOM 0 HB3ACYS A 153 -2.042 7.795 -3.527 0.50 22.42 H new ATOM 0 HB3BCYS A 153 -1.489 8.943 -3.596 0.50 22.42 H new ATOM 0 HG ACYS A 153 -0.804 9.064 -0.953 0.50 21.91 H new ATOM 0 HG BCYS A 153 -3.038 7.028 -2.112 0.50 21.91 H new ATOM 1113 N GLU A 154 -0.529 6.215 -6.150 1.00 20.67 N ANISOU 1113 N GLU A 154 2586 2703 2562 -23 -194 43 N ATOM 1114 CA GLU A 154 -0.860 6.093 -7.543 1.00 21.96 C ANISOU 1114 CA GLU A 154 2751 2866 2725 -38 -186 70 C ATOM 1115 C GLU A 154 -2.342 5.856 -7.703 1.00 23.09 C ANISOU 1115 C GLU A 154 2884 3054 2834 -71 -177 62 C ATOM 1116 O GLU A 154 -2.995 5.391 -6.811 1.00 21.44 O ANISOU 1116 O GLU A 154 2680 2882 2582 -98 -168 45 O ATOM 1117 CB GLU A 154 -0.149 4.911 -8.176 1.00 22.18 C ANISOU 1117 CB GLU A 154 2831 2875 2720 -44 -176 92 C ATOM 1118 CG GLU A 154 1.213 5.148 -8.466 1.00 25.66 C ANISOU 1118 CG GLU A 154 3266 3300 3184 -11 -181 105 C ATOM 1119 CD GLU A 154 1.883 4.004 -9.173 1.00 25.11 C ANISOU 1119 CD GLU A 154 3245 3222 3072 4 -174 119 C ATOM 1120 OE1 GLU A 154 3.017 4.190 -9.504 1.00 30.20 O ANISOU 1120 OE1 GLU A 154 3869 3877 3728 37 -176 130 O ATOM 1121 OE2 GLU A 154 1.295 2.971 -9.379 1.00 25.96 O ANISOU 1121 OE2 GLU A 154 3413 3317 3132 -12 -170 117 O ATOM 0 H GLU A 154 -0.372 5.465 -5.759 1.00 20.67 H new ATOM 0 HA GLU A 154 -0.586 6.917 -7.975 1.00 21.96 H new ATOM 0 HB2 GLU A 154 -0.215 4.148 -7.580 1.00 22.18 H new ATOM 0 HB3 GLU A 154 -0.608 4.671 -8.996 1.00 22.18 H new ATOM 0 HG2 GLU A 154 1.286 5.945 -9.014 1.00 25.66 H new ATOM 0 HG3 GLU A 154 1.686 5.329 -7.639 1.00 25.66 H new ATOM 1122 N TRP A 155 -2.823 6.164 -8.889 1.00 21.97 N ANISOU 1122 N TRP A 155 2721 2920 2705 -71 -179 77 N ATOM 1123 CA TRP A 155 -4.098 5.748 -9.393 1.00 21.98 C ANISOU 1123 CA TRP A 155 2712 2970 2667 -108 -171 77 C ATOM 1124 C TRP A 155 -3.818 5.250 -10.795 1.00 20.08 C ANISOU 1124 C TRP A 155 2498 2709 2420 -119 -168 106 C ATOM 1125 O TRP A 155 -3.206 5.923 -11.559 1.00 20.76 O ANISOU 1125 O TRP A 155 2571 2773 2544 -87 -176 126 O ATOM 1126 CB TRP A 155 -5.098 6.894 -9.403 1.00 22.61 C ANISOU 1126 CB TRP A 155 2727 3098 2764 -80 -184 55 C ATOM 1127 CG TRP A 155 -6.491 6.594 -9.902 1.00 22.49 C ANISOU 1127 CG TRP A 155 2680 3159 2706 -111 -179 50 C ATOM 1128 CD1 TRP A 155 -6.860 6.268 -11.159 1.00 23.82 C ANISOU 1128 CD1 TRP A 155 2849 3338 2862 -131 -179 72 C ATOM 1129 CD2 TRP A 155 -7.690 6.643 -9.144 1.00 23.88 C ANISOU 1129 CD2 TRP A 155 2802 3429 2839 -123 -174 17 C ATOM 1130 NE1 TRP A 155 -8.203 6.099 -11.233 1.00 25.05 N ANISOU 1130 NE1 TRP A 155 2957 3588 2970 -162 -177 55 N ATOM 1131 CE2 TRP A 155 -8.741 6.326 -10.005 1.00 23.80 C ANISOU 1131 CE2 TRP A 155 2760 3490 2793 -157 -172 23 C ATOM 1132 CE3 TRP A 155 -7.981 6.932 -7.822 1.00 26.74 C ANISOU 1132 CE3 TRP A 155 3134 3838 3184 -107 -171 -16 C ATOM 1133 CZ2 TRP A 155 -10.048 6.293 -9.582 1.00 29.68 C ANISOU 1133 CZ2 TRP A 155 3436 4357 3482 -179 -167 -3 C ATOM 1134 CZ3 TRP A 155 -9.272 6.880 -7.416 1.00 26.17 C ANISOU 1134 CZ3 TRP A 155 2996 3892 3053 -127 -163 -43 C ATOM 1135 CH2 TRP A 155 -10.288 6.574 -8.288 1.00 29.62 C ANISOU 1135 CH2 TRP A 155 3395 4404 3454 -163 -160 -35 C ATOM 0 H TRP A 155 -2.386 6.649 -9.449 1.00 21.97 H new ATOM 0 HA TRP A 155 -4.498 5.062 -8.836 1.00 21.98 H new ATOM 0 HB2 TRP A 155 -5.171 7.237 -8.498 1.00 22.61 H new ATOM 0 HB3 TRP A 155 -4.731 7.608 -9.948 1.00 22.61 H new ATOM 0 HD1 TRP A 155 -6.274 6.173 -11.875 1.00 23.82 H new ATOM 0 HE1 TRP A 155 -8.642 5.884 -11.940 1.00 25.05 H new ATOM 0 HE3 TRP A 155 -7.304 7.157 -7.225 1.00 26.74 H new ATOM 0 HZ2 TRP A 155 -10.740 6.085 -10.167 1.00 29.68 H new ATOM 0 HZ3 TRP A 155 -9.475 7.056 -6.526 1.00 26.17 H new ATOM 0 HH2 TRP A 155 -11.164 6.561 -7.976 1.00 29.62 H new ATOM 1136 N ARG A 156 -4.258 4.042 -11.074 1.00 21.92 N ANISOU 1136 N ARG A 156 2774 2953 2601 -168 -160 110 N ATOM 1137 CA ARG A 156 -4.051 3.420 -12.400 1.00 22.55 C ANISOU 1137 CA ARG A 156 2890 3015 2663 -175 -161 129 C ATOM 1138 C ARG A 156 -5.391 2.951 -13.023 1.00 23.53 C ANISOU 1138 C ARG A 156 3006 3187 2744 -232 -162 127 C ATOM 1139 O ARG A 156 -6.317 2.531 -12.330 1.00 22.84 O ANISOU 1139 O ARG A 156 2915 3143 2621 -288 -160 115 O ATOM 1140 CB ARG A 156 -3.181 2.184 -12.321 1.00 22.73 C ANISOU 1140 CB ARG A 156 2996 2986 2652 -177 -161 132 C ATOM 1141 CG ARG A 156 -1.787 2.443 -11.959 1.00 25.59 C ANISOU 1141 CG ARG A 156 3364 3316 3043 -120 -161 135 C ATOM 1142 CD ARG A 156 -0.889 1.186 -11.986 1.00 26.30 C ANISOU 1142 CD ARG A 156 3540 3362 3092 -98 -167 132 C ATOM 1143 NE ARG A 156 0.461 1.598 -11.633 1.00 26.95 N ANISOU 1143 NE ARG A 156 3600 3438 3199 -37 -166 133 N ATOM 1144 CZ ARG A 156 1.568 1.079 -12.139 1.00 25.95 C ANISOU 1144 CZ ARG A 156 3501 3305 3052 17 -170 132 C ATOM 1145 NH1 ARG A 156 2.744 1.496 -11.699 1.00 30.00 N ANISOU 1145 NH1 ARG A 156 3980 3833 3585 64 -169 133 N ATOM 1146 NH2 ARG A 156 1.473 0.105 -13.001 1.00 28.04 N ANISOU 1146 NH2 ARG A 156 3829 3554 3270 26 -177 127 N ATOM 0 H ARG A 156 -4.685 3.548 -10.515 1.00 21.92 H new ATOM 0 HA ARG A 156 -3.628 4.108 -12.938 1.00 22.55 H new ATOM 0 HB2 ARG A 156 -3.564 1.574 -11.671 1.00 22.73 H new ATOM 0 HB3 ARG A 156 -3.202 1.733 -13.179 1.00 22.73 H new ATOM 0 HG2 ARG A 156 -1.421 3.104 -12.568 1.00 25.59 H new ATOM 0 HG3 ARG A 156 -1.760 2.830 -11.070 1.00 25.59 H new ATOM 0 HD2 ARG A 156 -1.216 0.521 -11.360 1.00 26.30 H new ATOM 0 HD3 ARG A 156 -0.901 0.778 -12.866 1.00 26.30 H new ATOM 0 HE ARG A 156 0.546 2.226 -11.052 1.00 26.95 H new ATOM 0 HH11 ARG A 156 2.785 2.100 -11.088 1.00 30.00 H new ATOM 0 HH12 ARG A 156 3.467 1.163 -12.024 1.00 30.00 H new ATOM 0 HH21 ARG A 156 0.699 -0.190 -13.232 1.00 28.04 H new ATOM 0 HH22 ARG A 156 2.184 -0.242 -13.338 1.00 28.04 H new ATOM 1147 N CYS A 157 -5.488 3.032 -14.345 1.00 24.02 N ANISOU 1147 N CYS A 157 3064 3257 2806 -223 -167 140 N ATOM 1148 CA CYS A 157 -6.690 2.520 -15.050 1.00 23.97 C ANISOU 1148 CA CYS A 157 3053 3301 2754 -280 -173 136 C ATOM 1149 C CYS A 157 -6.430 2.116 -16.464 1.00 23.35 C ANISOU 1149 C CYS A 157 3006 3207 2658 -271 -180 148 C ATOM 1150 O CYS A 157 -5.443 2.430 -17.075 1.00 21.26 O ANISOU 1150 O CYS A 157 2748 2912 2416 -217 -177 163 O ATOM 1151 CB CYS A 157 -7.846 3.533 -14.983 1.00 24.58 C ANISOU 1151 CB CYS A 157 3038 3458 2841 -274 -177 127 C ATOM 1152 SG CYS A 157 -7.596 5.011 -15.911 1.00 25.52 S ANISOU 1152 SG CYS A 157 3105 3576 3015 -193 -188 144 S ATOM 0 H CYS A 157 -4.886 3.372 -14.857 1.00 24.02 H new ATOM 0 HA CYS A 157 -6.946 1.712 -14.578 1.00 23.97 H new ATOM 0 HB2 CYS A 157 -8.655 3.101 -15.299 1.00 24.58 H new ATOM 0 HB3 CYS A 157 -7.996 3.771 -14.055 1.00 24.58 H new ATOM 0 HG CYS A 157 -8.620 5.635 -15.954 1.00 25.52 H new ATOM 1153 N ASP A 158 -7.326 1.292 -16.981 1.00 23.47 N ANISOU 1153 N ASP A 158 3045 3249 2622 -335 -191 140 N ATOM 1154 CA ASP A 158 -7.298 0.932 -18.394 1.00 22.75 C ANISOU 1154 CA ASP A 158 2980 3158 2506 -329 -201 144 C ATOM 1155 C ASP A 158 -7.511 2.188 -19.151 1.00 23.29 C ANISOU 1155 C ASP A 158 2967 3274 2607 -280 -200 161 C ATOM 1156 O ASP A 158 -8.340 3.017 -18.803 1.00 24.00 O ANISOU 1156 O ASP A 158 2986 3419 2714 -279 -202 159 O ATOM 1157 CB ASP A 158 -8.362 -0.149 -18.684 1.00 22.99 C ANISOU 1157 CB ASP A 158 3049 3211 2472 -423 -220 129 C ATOM 1158 CG ASP A 158 -8.309 -0.694 -20.110 1.00 30.56 C ANISOU 1158 CG ASP A 158 4051 4162 3395 -419 -237 125 C ATOM 1159 OD1 ASP A 158 -8.383 0.116 -21.082 1.00 26.99 O ANISOU 1159 OD1 ASP A 158 3541 3756 2959 -372 -235 137 O ATOM 1160 OD2 ASP A 158 -8.262 -1.951 -20.224 1.00 34.71 O ANISOU 1160 OD2 ASP A 158 4678 4635 3872 -466 -259 109 O ATOM 0 H ASP A 158 -7.962 0.927 -16.532 1.00 23.47 H new ATOM 0 HA ASP A 158 -6.452 0.540 -18.662 1.00 22.75 H new ATOM 0 HB2 ASP A 158 -8.244 -0.883 -18.061 1.00 22.99 H new ATOM 0 HB3 ASP A 158 -9.243 0.223 -18.521 1.00 22.99 H new ATOM 1161 N SER A 159 -6.744 2.380 -20.203 1.00 22.26 N ANISOU 1161 N SER A 159 2936 3007 2513 -65 -401 293 N ATOM 1162 CA SER A 159 -6.843 3.634 -20.958 1.00 25.95 C ANISOU 1162 CA SER A 159 3430 3482 2946 -21 -393 309 C ATOM 1163 C SER A 159 -8.224 3.806 -21.585 1.00 27.60 C ANISOU 1163 C SER A 159 3624 3726 3137 9 -433 295 C ATOM 1164 O SER A 159 -8.658 4.941 -21.885 1.00 26.49 O ANISOU 1164 O SER A 159 3499 3592 2974 49 -435 310 O ATOM 1165 CB SER A 159 -5.761 3.687 -22.059 1.00 27.44 C ANISOU 1165 CB SER A 159 3662 3662 3099 -3 -375 317 C ATOM 1166 OG SER A 159 -6.089 2.728 -23.067 1.00 26.58 O ANISOU 1166 OG SER A 159 3554 3578 2965 12 -412 286 O ATOM 0 H SER A 159 -6.167 1.816 -20.501 1.00 22.26 H new ATOM 0 HA SER A 159 -6.702 4.362 -20.332 1.00 25.95 H new ATOM 0 HB2 SER A 159 -5.715 4.577 -22.443 1.00 27.44 H new ATOM 0 HB3 SER A 159 -4.888 3.495 -21.683 1.00 27.44 H new ATOM 0 HG SER A 159 -6.072 1.956 -22.736 1.00 26.58 H new ATOM 1167 N ARG A 160 -8.972 2.705 -21.718 1.00 28.13 N ANISOU 1167 N ARG A 160 3656 3810 3219 -8 -471 263 N ATOM 1168 CA ARG A 160 -10.355 2.791 -22.256 1.00 29.91 C ANISOU 1168 CA ARG A 160 3852 4074 3435 19 -515 238 C ATOM 1169 C ARG A 160 -11.379 3.171 -21.200 1.00 30.63 C ANISOU 1169 C ARG A 160 3891 4191 3555 6 -515 240 C ATOM 1170 O ARG A 160 -12.551 3.397 -21.533 1.00 29.06 O ANISOU 1170 O ARG A 160 3659 4031 3350 32 -549 215 O ATOM 1171 CB ARG A 160 -10.782 1.482 -22.913 1.00 31.27 C ANISOU 1171 CB ARG A 160 4002 4255 3624 6 -563 193 C ATOM 1172 CG ARG A 160 -9.970 1.207 -24.142 1.00 35.85 C ANISOU 1172 CG ARG A 160 4630 4830 4159 42 -574 179 C ATOM 1173 CD ARG A 160 -10.489 0.029 -24.909 1.00 42.59 C ANISOU 1173 CD ARG A 160 5460 5693 5027 46 -636 120 C ATOM 1174 NE ARG A 160 -10.567 -1.201 -24.149 1.00 44.86 N ANISOU 1174 NE ARG A 160 5710 5947 5386 -20 -652 105 N ATOM 1175 CZ ARG A 160 -11.711 -1.734 -23.698 1.00 50.18 C ANISOU 1175 CZ ARG A 160 6323 6625 6117 -60 -683 86 C ATOM 1176 NH1 ARG A 160 -12.887 -1.111 -23.875 1.00 51.69 N ANISOU 1176 NH1 ARG A 160 6478 6861 6302 -36 -702 72 N ATOM 1177 NH2 ARG A 160 -11.683 -2.895 -23.044 1.00 46.95 N ANISOU 1177 NH2 ARG A 160 5888 6175 5776 -126 -694 84 N ATOM 0 H ARG A 160 -8.713 1.912 -21.510 1.00 28.13 H new ATOM 0 HA ARG A 160 -10.330 3.497 -22.920 1.00 29.91 H new ATOM 0 HB2 ARG A 160 -10.679 0.752 -22.283 1.00 31.27 H new ATOM 0 HB3 ARG A 160 -11.723 1.525 -23.146 1.00 31.27 H new ATOM 0 HG2 ARG A 160 -9.975 1.991 -24.713 1.00 35.85 H new ATOM 0 HG3 ARG A 160 -9.047 1.046 -23.889 1.00 35.85 H new ATOM 0 HD2 ARG A 160 -11.373 0.243 -25.247 1.00 42.59 H new ATOM 0 HD3 ARG A 160 -9.918 -0.117 -25.680 1.00 42.59 H new ATOM 0 HE ARG A 160 -9.833 -1.615 -23.976 1.00 44.86 H new ATOM 0 HH11 ARG A 160 -12.916 -0.355 -24.284 1.00 51.69 H new ATOM 0 HH12 ARG A 160 -13.611 -1.468 -23.579 1.00 51.69 H new ATOM 0 HH21 ARG A 160 -10.934 -3.297 -22.914 1.00 46.95 H new ATOM 0 HH22 ARG A 160 -12.414 -3.242 -22.752 1.00 46.95 H new ATOM 1178 N ASN A 161 -10.929 3.290 -19.938 1.00 30.02 N ANISOU 1178 N ASN A 161 3803 4101 3503 -26 -477 265 N ATOM 1179 CA ASN A 161 -11.801 3.572 -18.793 1.00 29.43 C ANISOU 1179 CA ASN A 161 3673 4062 3447 -36 -469 268 C ATOM 1180 C ASN A 161 -11.819 5.090 -18.625 1.00 30.25 C ANISOU 1180 C ASN A 161 3797 4170 3526 17 -461 275 C ATOM 1181 O ASN A 161 -11.113 5.688 -17.801 1.00 28.22 O ANISOU 1181 O ASN A 161 3555 3892 3275 19 -432 291 O ATOM 1182 CB ASN A 161 -11.309 2.889 -17.512 1.00 28.75 C ANISOU 1182 CB ASN A 161 3566 3965 3390 -87 -436 290 C ATOM 1183 CG ASN A 161 -12.342 2.898 -16.411 1.00 29.11 C ANISOU 1183 CG ASN A 161 3544 4065 3448 -101 -427 295 C ATOM 1184 OD1 ASN A 161 -13.240 3.717 -16.417 1.00 29.26 O ANISOU 1184 OD1 ASN A 161 3535 4130 3453 -64 -440 279 O ATOM 1185 ND2 ASN A 161 -12.220 1.977 -15.448 1.00 24.97 N ANISOU 1185 ND2 ASN A 161 2995 3543 2949 -152 -404 320 N ATOM 0 H ASN A 161 -10.100 3.207 -19.726 1.00 30.02 H new ATOM 0 HA ASN A 161 -12.691 3.222 -18.955 1.00 29.43 H new ATOM 0 HB2 ASN A 161 -11.064 1.972 -17.713 1.00 28.75 H new ATOM 0 HB3 ASN A 161 -10.506 3.335 -17.200 1.00 28.75 H new ATOM 0 HD21 ASN A 161 -12.789 1.951 -14.804 1.00 24.97 H new ATOM 0 HD22 ASN A 161 -11.573 1.411 -15.473 1.00 24.97 H new ATOM 1186 N ALA A 162 -12.671 5.724 -19.429 1.00 30.41 N ANISOU 1186 N ALA A 162 3818 4214 3522 67 -495 257 N ATOM 1187 CA ALA A 162 -12.766 7.163 -19.426 1.00 31.32 C ANISOU 1187 CA ALA A 162 3961 4322 3616 125 -499 263 C ATOM 1188 C ALA A 162 -13.142 7.747 -18.058 1.00 30.48 C ANISOU 1188 C ALA A 162 3812 4243 3526 132 -488 256 C ATOM 1189 O ALA A 162 -12.628 8.791 -17.649 1.00 32.94 O ANISOU 1189 O ALA A 162 4154 4522 3839 162 -479 265 O ATOM 1190 CB ALA A 162 -13.801 7.650 -20.581 1.00 32.84 C ANISOU 1190 CB ALA A 162 4160 4542 3772 189 -549 240 C ATOM 0 H ALA A 162 -13.200 5.330 -19.981 1.00 30.41 H new ATOM 0 HA ALA A 162 -11.880 7.508 -19.620 1.00 31.32 H new ATOM 0 HB1 ALA A 162 -13.861 8.618 -20.575 1.00 32.84 H new ATOM 0 HB2 ALA A 162 -13.483 7.352 -21.447 1.00 32.84 H new ATOM 0 HB3 ALA A 162 -14.678 7.271 -20.411 1.00 32.84 H new ATOM 1191 N ALA A 163 -14.062 7.103 -17.389 1.00 28.98 N ANISOU 1191 N ALA A 163 3549 4113 3347 109 -491 238 N ATOM 1192 CA ALA A 163 -14.636 7.629 -16.152 1.00 30.38 C ANISOU 1192 CA ALA A 163 3675 4342 3526 129 -482 226 C ATOM 1193 C ALA A 163 -13.558 7.597 -15.033 1.00 29.31 C ANISOU 1193 C ALA A 163 3553 4180 3403 105 -442 249 C ATOM 1194 O ALA A 163 -13.474 8.475 -14.214 1.00 30.35 O ANISOU 1194 O ALA A 163 3679 4321 3529 144 -439 237 O ATOM 1195 CB ALA A 163 -15.838 6.794 -15.742 1.00 29.19 C ANISOU 1195 CB ALA A 163 3434 4270 3385 98 -484 211 C ATOM 0 H ALA A 163 -14.382 6.342 -17.630 1.00 28.98 H new ATOM 0 HA ALA A 163 -14.927 8.544 -16.293 1.00 30.38 H new ATOM 0 HB1 ALA A 163 -16.214 7.148 -14.921 1.00 29.19 H new ATOM 0 HB2 ALA A 163 -16.508 6.824 -16.443 1.00 29.19 H new ATOM 0 HB3 ALA A 163 -15.561 5.875 -15.600 1.00 29.19 H new ATOM 1196 N SER A 164 -12.749 6.537 -15.011 1.00 28.90 N ANISOU 1196 N SER A 164 3516 4095 3367 46 -417 273 N ATOM 1197 CA SER A 164 -11.707 6.435 -13.998 1.00 28.72 C ANISOU 1197 CA SER A 164 3508 4049 3353 30 -384 289 C ATOM 1198 C SER A 164 -10.608 7.479 -14.184 1.00 27.16 C ANISOU 1198 C SER A 164 3370 3788 3160 61 -383 286 C ATOM 1199 O SER A 164 -10.181 8.077 -13.194 1.00 28.00 O ANISOU 1199 O SER A 164 3472 3894 3271 84 -374 276 O ATOM 1200 CB SER A 164 -11.168 4.996 -13.893 1.00 29.10 C ANISOU 1200 CB SER A 164 3558 4079 3418 -34 -364 313 C ATOM 1201 OG SER A 164 -10.087 4.889 -12.993 1.00 26.95 O ANISOU 1201 OG SER A 164 3306 3783 3150 -41 -338 325 O ATOM 0 H SER A 164 -12.787 5.879 -15.564 1.00 28.90 H new ATOM 0 HA SER A 164 -12.112 6.642 -13.141 1.00 28.72 H new ATOM 0 HB2 SER A 164 -11.883 4.406 -13.607 1.00 29.10 H new ATOM 0 HB3 SER A 164 -10.885 4.695 -14.771 1.00 29.10 H new ATOM 0 HG SER A 164 -9.913 4.078 -12.859 1.00 26.95 H new ATOM 1202 N ALA A 165 -10.168 7.704 -15.413 1.00 24.93 N ANISOU 1202 N ALA A 165 3138 3457 2877 64 -392 295 N ATOM 1203 CA ALA A 165 -9.218 8.739 -15.722 1.00 25.93 C ANISOU 1203 CA ALA A 165 3317 3521 3014 86 -388 302 C ATOM 1204 C ALA A 165 -9.720 10.129 -15.296 1.00 25.11 C ANISOU 1204 C ALA A 165 3209 3416 2914 144 -412 283 C ATOM 1205 O ALA A 165 -8.987 10.922 -14.722 1.00 24.86 O ANISOU 1205 O ALA A 165 3193 3343 2908 159 -408 275 O ATOM 1206 CB ALA A 165 -8.877 8.716 -17.206 1.00 25.65 C ANISOU 1206 CB ALA A 165 3331 3450 2964 83 -390 323 C ATOM 0 H ALA A 165 -10.421 7.248 -16.097 1.00 24.93 H new ATOM 0 HA ALA A 165 -8.412 8.560 -15.212 1.00 25.93 H new ATOM 0 HB1 ALA A 165 -8.236 9.418 -17.402 1.00 25.65 H new ATOM 0 HB2 ALA A 165 -8.494 7.855 -17.437 1.00 25.65 H new ATOM 0 HB3 ALA A 165 -9.683 8.861 -17.726 1.00 25.65 H new ATOM 1207 N ALA A 166 -11.001 10.375 -15.459 1.00 27.00 N ANISOU 1207 N ALA A 166 3421 3705 3132 181 -442 266 N ATOM 1208 CA ALA A 166 -11.550 11.706 -15.189 1.00 27.64 C ANISOU 1208 CA ALA A 166 3503 3784 3214 248 -475 241 C ATOM 1209 C ALA A 166 -11.707 11.846 -13.691 1.00 28.51 C ANISOU 1209 C ALA A 166 3561 3941 3330 266 -472 209 C ATOM 1210 O ALA A 166 -11.433 12.922 -13.113 1.00 29.28 O ANISOU 1210 O ALA A 166 3668 4008 3445 312 -492 184 O ATOM 1211 CB ALA A 166 -12.910 11.899 -15.922 1.00 29.55 C ANISOU 1211 CB ALA A 166 3729 4071 3425 291 -514 225 C ATOM 0 H ALA A 166 -11.577 9.794 -15.724 1.00 27.00 H new ATOM 0 HA ALA A 166 -10.952 12.393 -15.522 1.00 27.64 H new ATOM 0 HB1 ALA A 166 -13.258 12.784 -15.732 1.00 29.55 H new ATOM 0 HB2 ALA A 166 -12.779 11.802 -16.878 1.00 29.55 H new ATOM 0 HB3 ALA A 166 -13.542 11.231 -15.613 1.00 29.55 H new ATOM 1212 N ALA A 167 -12.054 10.740 -13.040 1.00 28.54 N ANISOU 1212 N ALA A 167 3510 4013 3318 230 -447 211 N ATOM 1213 CA ALA A 167 -12.057 10.710 -11.590 1.00 28.33 C ANISOU 1213 CA ALA A 167 3438 4041 3285 245 -433 191 C ATOM 1214 C ALA A 167 -10.684 11.016 -10.995 1.00 28.01 C ANISOU 1214 C ALA A 167 3431 3939 3270 243 -421 187 C ATOM 1215 O ALA A 167 -10.563 11.800 -10.095 1.00 28.94 O ANISOU 1215 O ALA A 167 3536 4068 3392 293 -437 151 O ATOM 1216 CB ALA A 167 -12.579 9.302 -11.025 1.00 28.38 C ANISOU 1216 CB ALA A 167 3385 4125 3272 194 -398 214 C ATOM 0 H ALA A 167 -12.288 10.004 -13.419 1.00 28.54 H new ATOM 0 HA ALA A 167 -12.670 11.409 -11.315 1.00 28.33 H new ATOM 0 HB1 ALA A 167 -12.568 9.318 -10.055 1.00 28.38 H new ATOM 0 HB2 ALA A 167 -13.485 9.145 -11.335 1.00 28.38 H new ATOM 0 HB3 ALA A 167 -12.001 8.591 -11.343 1.00 28.38 H new ATOM 1217 N ALA A 168 -9.670 10.326 -11.448 1.00 27.31 N ANISOU 1217 N ALA A 168 3379 3797 3199 187 -395 217 N ATOM 1218 CA ALA A 168 -8.322 10.627 -10.974 1.00 26.76 C ANISOU 1218 CA ALA A 168 3337 3670 3160 184 -386 207 C ATOM 1219 C ALA A 168 -7.994 12.113 -11.074 1.00 26.61 C ANISOU 1219 C ALA A 168 3345 3588 3177 229 -417 179 C ATOM 1220 O ALA A 168 -7.530 12.763 -10.130 1.00 26.37 O ANISOU 1220 O ALA A 168 3304 3548 3167 265 -432 140 O ATOM 1221 CB ALA A 168 -7.269 9.758 -11.739 1.00 24.57 C ANISOU 1221 CB ALA A 168 3097 3340 2897 121 -358 240 C ATOM 0 H ALA A 168 -9.725 9.687 -12.021 1.00 27.31 H new ATOM 0 HA ALA A 168 -8.284 10.399 -10.032 1.00 26.76 H new ATOM 0 HB1 ALA A 168 -6.379 9.968 -11.415 1.00 24.57 H new ATOM 0 HB2 ALA A 168 -7.454 8.818 -11.588 1.00 24.57 H new ATOM 0 HB3 ALA A 168 -7.320 9.949 -12.689 1.00 24.57 H new ATOM 1222 N ARG A 169 -8.234 12.677 -12.242 1.00 28.19 N ANISOU 1222 N ARG A 169 3583 3742 3385 232 -432 200 N ATOM 1223 CA ARG A 169 -7.935 14.103 -12.429 1.00 30.22 C ANISOU 1223 CA ARG A 169 3874 3922 3684 270 -463 186 C ATOM 1224 C ARG A 169 -8.795 14.995 -11.527 1.00 30.38 C ANISOU 1224 C ARG A 169 3861 3978 3700 347 -510 131 C ATOM 1225 O ARG A 169 -8.299 15.980 -10.988 1.00 32.08 O ANISOU 1225 O ARG A 169 4085 4141 3961 381 -539 95 O ATOM 1226 CB ARG A 169 -8.046 14.487 -13.924 1.00 30.87 C ANISOU 1226 CB ARG A 169 4012 3950 3767 261 -467 232 C ATOM 1227 CG ARG A 169 -6.911 13.997 -14.752 1.00 30.54 C ANISOU 1227 CG ARG A 169 4007 3858 3738 199 -425 278 C ATOM 1228 CD ARG A 169 -7.187 14.188 -16.254 1.00 31.71 C ANISOU 1228 CD ARG A 169 4205 3980 3861 199 -424 328 C ATOM 1229 NE ARG A 169 -6.173 13.753 -17.209 1.00 28.98 N ANISOU 1229 NE ARG A 169 3894 3601 3514 149 -381 374 N ATOM 1230 CZ ARG A 169 -4.991 14.345 -17.405 1.00 30.02 C ANISOU 1230 CZ ARG A 169 4053 3660 3693 121 -356 399 C ATOM 1231 NH1 ARG A 169 -4.607 15.388 -16.701 1.00 28.52 N ANISOU 1231 NH1 ARG A 169 3861 3408 3564 132 -373 380 N ATOM 1232 NH2 ARG A 169 -4.201 13.908 -18.346 1.00 33.15 N ANISOU 1232 NH2 ARG A 169 4473 4046 4074 82 -314 442 N ATOM 0 H ARG A 169 -8.560 12.274 -12.928 1.00 28.19 H new ATOM 0 HA ARG A 169 -7.018 14.257 -12.155 1.00 30.22 H new ATOM 0 HB2 ARG A 169 -8.874 14.130 -14.281 1.00 30.87 H new ATOM 0 HB3 ARG A 169 -8.098 15.453 -13.999 1.00 30.87 H new ATOM 0 HG2 ARG A 169 -6.101 14.472 -14.507 1.00 30.54 H new ATOM 0 HG3 ARG A 169 -6.756 13.058 -14.567 1.00 30.54 H new ATOM 0 HD2 ARG A 169 -8.010 13.720 -16.464 1.00 31.71 H new ATOM 0 HD3 ARG A 169 -7.350 15.132 -16.406 1.00 31.71 H new ATOM 0 HE ARG A 169 -6.351 13.059 -17.685 1.00 28.98 H new ATOM 0 HH11 ARG A 169 -5.123 15.709 -16.092 1.00 28.52 H new ATOM 0 HH12 ARG A 169 -3.840 15.748 -16.849 1.00 28.52 H new ATOM 0 HH21 ARG A 169 -4.442 13.243 -18.835 1.00 33.15 H new ATOM 0 HH22 ARG A 169 -3.439 14.285 -18.477 1.00 33.15 H new ATOM 1233 N ARG A 170 -10.026 14.606 -11.319 1.00 31.12 N ANISOU 1233 N ARG A 170 3912 4167 3745 374 -518 119 N ATOM 1234 CA ARG A 170 -10.953 15.360 -10.518 1.00 32.56 C ANISOU 1234 CA ARG A 170 4051 4408 3909 456 -561 62 C ATOM 1235 C ARG A 170 -10.458 15.351 -9.077 1.00 33.08 C ANISOU 1235 C ARG A 170 4082 4507 3979 479 -557 19 C ATOM 1236 O ARG A 170 -10.548 16.323 -8.426 1.00 32.71 O ANISOU 1236 O ARG A 170 4028 4448 3951 548 -602 -37 O ATOM 1237 CB ARG A 170 -12.324 14.735 -10.653 1.00 32.55 C ANISOU 1237 CB ARG A 170 3997 4518 3852 464 -555 64 C ATOM 1238 CG ARG A 170 -13.405 15.437 -9.970 1.00 35.17 C ANISOU 1238 CG ARG A 170 4264 4948 4150 543 -586 6 C ATOM 1239 CD ARG A 170 -14.762 15.122 -10.496 1.00 34.32 C ANISOU 1239 CD ARG A 170 4106 4932 4001 551 -589 7 C ATOM 1240 NE ARG A 170 -15.029 13.716 -10.603 1.00 37.65 N ANISOU 1240 NE ARG A 170 4463 5449 4391 495 -537 33 N ATOM 1241 CZ ARG A 170 -15.300 13.093 -11.746 1.00 38.70 C ANISOU 1241 CZ ARG A 170 4593 5586 4525 422 -509 78 C ATOM 1242 NH1 ARG A 170 -15.565 11.823 -11.733 1.00 39.49 N ANISOU 1242 NH1 ARG A 170 4633 5763 4607 370 -465 104 N ATOM 1243 NH2 ARG A 170 -15.338 13.749 -12.900 1.00 39.50 N ANISOU 1243 NH2 ARG A 170 4750 5614 4644 404 -527 97 N ATOM 0 H ARG A 170 -10.356 13.882 -11.645 1.00 31.12 H new ATOM 0 HA ARG A 170 -11.015 16.283 -10.811 1.00 32.56 H new ATOM 0 HB2 ARG A 170 -12.543 14.675 -11.596 1.00 32.55 H new ATOM 0 HB3 ARG A 170 -12.283 13.827 -10.313 1.00 32.55 H new ATOM 0 HG2 ARG A 170 -13.375 15.216 -9.026 1.00 35.17 H new ATOM 0 HG3 ARG A 170 -13.254 16.392 -10.043 1.00 35.17 H new ATOM 0 HD2 ARG A 170 -15.426 15.526 -9.916 1.00 34.32 H new ATOM 0 HD3 ARG A 170 -14.864 15.530 -11.370 1.00 34.32 H new ATOM 0 HE ARG A 170 -15.013 13.247 -9.882 1.00 37.65 H new ATOM 0 HH11 ARG A 170 -15.564 11.391 -10.989 1.00 39.49 H new ATOM 0 HH12 ARG A 170 -15.741 11.413 -12.468 1.00 39.49 H new ATOM 0 HH21 ARG A 170 -15.185 14.595 -12.919 1.00 39.50 H new ATOM 0 HH22 ARG A 170 -15.515 13.328 -13.628 1.00 39.50 H new ATOM 1244 N PHE A 171 -9.917 14.235 -8.638 1.00 32.17 N ANISOU 1244 N PHE A 171 3950 4426 3847 426 -509 45 N ATOM 1245 CA PHE A 171 -9.366 14.094 -7.272 1.00 32.71 C ANISOU 1245 CA PHE A 171 3987 4535 3906 452 -502 9 C ATOM 1246 C PHE A 171 -8.038 14.788 -7.071 1.00 32.04 C ANISOU 1246 C PHE A 171 3936 4353 3883 456 -522 -21 C ATOM 1247 O PHE A 171 -7.579 14.966 -5.959 1.00 36.49 O ANISOU 1247 O PHE A 171 4476 4941 4446 498 -535 -70 O ATOM 1248 CB PHE A 171 -9.280 12.613 -6.885 1.00 32.65 C ANISOU 1248 CB PHE A 171 3955 4592 3857 398 -448 53 C ATOM 1249 CG PHE A 171 -10.619 11.914 -6.799 1.00 32.32 C ANISOU 1249 CG PHE A 171 3861 4656 3760 393 -428 78 C ATOM 1250 CD1 PHE A 171 -11.769 12.570 -6.347 1.00 39.44 C ANISOU 1250 CD1 PHE A 171 4714 5642 4630 462 -453 39 C ATOM 1251 CD2 PHE A 171 -10.752 10.624 -7.235 1.00 33.22 C ANISOU 1251 CD2 PHE A 171 3973 4785 3864 318 -387 136 C ATOM 1252 CE1 PHE A 171 -13.025 11.890 -6.278 1.00 38.87 C ANISOU 1252 CE1 PHE A 171 4580 5675 4513 450 -429 62 C ATOM 1253 CE2 PHE A 171 -11.988 9.931 -7.171 1.00 35.70 C ANISOU 1253 CE2 PHE A 171 4230 5190 4141 301 -368 161 C ATOM 1254 CZ PHE A 171 -13.127 10.565 -6.712 1.00 37.93 C ANISOU 1254 CZ PHE A 171 4455 5563 4391 363 -385 126 C ATOM 0 H PHE A 171 -9.850 13.522 -9.115 1.00 32.17 H new ATOM 0 HA PHE A 171 -9.986 14.548 -6.679 1.00 32.71 H new ATOM 0 HB2 PHE A 171 -8.727 12.151 -7.534 1.00 32.65 H new ATOM 0 HB3 PHE A 171 -8.832 12.539 -6.028 1.00 32.65 H new ATOM 0 HD1 PHE A 171 -11.716 13.461 -6.088 1.00 39.44 H new ATOM 0 HD2 PHE A 171 -10.009 10.188 -7.584 1.00 33.22 H new ATOM 0 HE1 PHE A 171 -13.774 12.329 -5.944 1.00 38.87 H new ATOM 0 HE2 PHE A 171 -12.032 9.042 -7.440 1.00 35.70 H new ATOM 0 HZ PHE A 171 -13.943 10.120 -6.692 1.00 37.93 H new ATOM 1255 N GLY A 172 -7.405 15.194 -8.139 1.00 31.63 N ANISOU 1255 N GLY A 172 3936 4194 3885 414 -524 5 N ATOM 1256 CA GLY A 172 -6.182 15.946 -8.063 1.00 30.17 C ANISOU 1256 CA GLY A 172 3778 3909 3774 408 -541 -20 C ATOM 1257 C GLY A 172 -4.908 15.115 -8.292 1.00 28.44 C ANISOU 1257 C GLY A 172 3575 3654 3577 335 -496 9 C ATOM 1258 O GLY A 172 -3.835 15.615 -8.054 1.00 28.24 O ANISOU 1258 O GLY A 172 3555 3561 3612 329 -506 -20 O ATOM 0 H GLY A 172 -7.675 15.040 -8.941 1.00 31.63 H new ATOM 0 HA2 GLY A 172 -6.212 16.659 -8.720 1.00 30.17 H new ATOM 0 HA3 GLY A 172 -6.128 16.367 -7.191 1.00 30.17 H new ATOM 1259 N PHE A 173 -5.024 13.860 -8.710 1.00 26.39 N ANISOU 1259 N PHE A 173 3315 3439 3270 285 -451 60 N ATOM 1260 CA PHE A 173 -3.874 13.105 -9.201 1.00 26.26 C ANISOU 1260 CA PHE A 173 3320 3382 3272 219 -412 89 C ATOM 1261 C PHE A 173 -3.391 13.747 -10.504 1.00 27.14 C ANISOU 1261 C PHE A 173 3476 3402 3432 181 -406 125 C ATOM 1262 O PHE A 173 -4.216 14.280 -11.300 1.00 27.06 O ANISOU 1262 O PHE A 173 3489 3378 3413 193 -419 152 O ATOM 1263 CB PHE A 173 -4.263 11.650 -9.493 1.00 24.04 C ANISOU 1263 CB PHE A 173 3035 3162 2934 179 -377 135 C ATOM 1264 CG PHE A 173 -4.675 10.852 -8.277 1.00 25.17 C ANISOU 1264 CG PHE A 173 3140 3394 3030 203 -371 122 C ATOM 1265 CD1 PHE A 173 -3.758 10.101 -7.579 1.00 24.83 C ANISOU 1265 CD1 PHE A 173 3093 3359 2981 193 -355 112 C ATOM 1266 CD2 PHE A 173 -6.025 10.834 -7.828 1.00 28.90 C ANISOU 1266 CD2 PHE A 173 3576 3947 3454 238 -379 123 C ATOM 1267 CE1 PHE A 173 -4.147 9.308 -6.481 1.00 25.89 C ANISOU 1267 CE1 PHE A 173 3198 3574 3062 215 -345 115 C ATOM 1268 CE2 PHE A 173 -6.404 10.058 -6.688 1.00 24.70 C ANISOU 1268 CE2 PHE A 173 3006 3504 2872 256 -363 125 C ATOM 1269 CZ PHE A 173 -5.476 9.331 -6.059 1.00 23.85 C ANISOU 1269 CZ PHE A 173 2905 3396 2758 245 -346 126 C ATOM 0 H PHE A 173 -5.765 13.423 -8.718 1.00 26.39 H new ATOM 0 HA PHE A 173 -3.179 13.117 -8.525 1.00 26.26 H new ATOM 0 HB2 PHE A 173 -4.993 11.645 -10.131 1.00 24.04 H new ATOM 0 HB3 PHE A 173 -3.512 11.206 -9.917 1.00 24.04 H new ATOM 0 HD1 PHE A 173 -2.865 10.117 -7.837 1.00 24.83 H new ATOM 0 HD2 PHE A 173 -6.667 11.332 -8.280 1.00 28.90 H new ATOM 0 HE1 PHE A 173 -3.524 8.775 -6.042 1.00 25.89 H new ATOM 0 HE2 PHE A 173 -7.284 10.059 -6.389 1.00 24.70 H new ATOM 0 HZ PHE A 173 -5.723 8.826 -5.318 1.00 23.85 H new ATOM 1270 N GLN A 174 -2.088 13.685 -10.741 1.00 25.97 N ANISOU 1270 N GLN A 174 3339 3199 3329 137 -383 128 N ATOM 1271 CA GLN A 174 -1.505 14.181 -11.960 1.00 25.22 C ANISOU 1271 CA GLN A 174 3280 3027 3273 94 -363 172 C ATOM 1272 C GLN A 174 -1.237 13.035 -12.899 1.00 24.26 C ANISOU 1272 C GLN A 174 3174 2932 3108 45 -318 220 C ATOM 1273 O GLN A 174 -0.707 11.988 -12.458 1.00 21.58 O ANISOU 1273 O GLN A 174 2816 2632 2751 28 -301 204 O ATOM 1274 CB GLN A 174 -0.158 14.827 -11.633 1.00 27.39 C ANISOU 1274 CB GLN A 174 3544 3230 3630 73 -362 141 C ATOM 1275 CG GLN A 174 -0.190 15.986 -10.640 1.00 33.29 C ANISOU 1275 CG GLN A 174 4272 3938 4438 122 -416 76 C ATOM 1276 CD GLN A 174 -1.216 17.034 -11.050 1.00 39.30 C ANISOU 1276 CD GLN A 174 5062 4662 5207 159 -453 93 C ATOM 1277 OE1 GLN A 174 -2.198 17.307 -10.322 1.00 38.92 O ANISOU 1277 OE1 GLN A 174 4998 4659 5129 226 -496 52 O ATOM 1278 NE2 GLN A 174 -1.027 17.580 -12.244 1.00 32.73 N ANISOU 1278 NE2 GLN A 174 4273 3758 4405 121 -434 157 N ATOM 0 H GLN A 174 -1.519 13.350 -10.190 1.00 25.97 H new ATOM 0 HA GLN A 174 -2.114 14.817 -12.367 1.00 25.22 H new ATOM 0 HB2 GLN A 174 0.432 14.141 -11.283 1.00 27.39 H new ATOM 0 HB3 GLN A 174 0.237 15.145 -12.460 1.00 27.39 H new ATOM 0 HG2 GLN A 174 -0.402 15.651 -9.755 1.00 33.29 H new ATOM 0 HG3 GLN A 174 0.689 16.394 -10.586 1.00 33.29 H new ATOM 0 HE21 GLN A 174 -0.338 17.364 -12.711 1.00 32.73 H new ATOM 0 HE22 GLN A 174 -1.593 18.150 -12.551 1.00 32.73 H new ATOM 1279 N PHE A 175 -1.448 13.266 -14.190 1.00 22.55 N ANISOU 1279 N PHE A 175 2996 2691 2881 27 -302 276 N ATOM 1280 CA PHE A 175 -1.162 12.239 -15.196 1.00 23.08 C ANISOU 1280 CA PHE A 175 3078 2785 2904 -9 -265 315 C ATOM 1281 C PHE A 175 0.303 12.145 -15.419 1.00 23.77 C ANISOU 1281 C PHE A 175 3161 2840 3029 -53 -229 316 C ATOM 1282 O PHE A 175 0.949 13.193 -15.628 1.00 21.85 O ANISOU 1282 O PHE A 175 2925 2530 2845 -69 -219 329 O ATOM 1283 CB PHE A 175 -1.872 12.581 -16.538 1.00 23.65 C ANISOU 1283 CB PHE A 175 3193 2850 2942 -1 -263 371 C ATOM 1284 CG PHE A 175 -1.594 11.615 -17.613 1.00 23.51 C ANISOU 1284 CG PHE A 175 3191 2865 2876 -26 -232 402 C ATOM 1285 CD1 PHE A 175 -1.969 10.306 -17.489 1.00 21.72 C ANISOU 1285 CD1 PHE A 175 2947 2699 2607 -29 -237 382 C ATOM 1286 CD2 PHE A 175 -0.852 11.999 -18.719 1.00 21.91 C ANISOU 1286 CD2 PHE A 175 3018 2631 2674 -48 -195 451 C ATOM 1287 CE1 PHE A 175 -1.635 9.351 -18.541 1.00 22.76 C ANISOU 1287 CE1 PHE A 175 3092 2857 2696 -47 -216 400 C ATOM 1288 CE2 PHE A 175 -0.520 11.075 -19.750 1.00 23.47 C ANISOU 1288 CE2 PHE A 175 3227 2870 2818 -61 -167 472 C ATOM 1289 CZ PHE A 175 -0.939 9.753 -19.640 1.00 25.04 C ANISOU 1289 CZ PHE A 175 3409 3127 2975 -57 -184 440 C ATOM 0 H PHE A 175 -1.754 14.005 -14.507 1.00 22.55 H new ATOM 0 HA PHE A 175 -1.495 11.388 -14.872 1.00 23.08 H new ATOM 0 HB2 PHE A 175 -2.830 12.620 -16.388 1.00 23.65 H new ATOM 0 HB3 PHE A 175 -1.594 13.464 -16.827 1.00 23.65 H new ATOM 0 HD1 PHE A 175 -2.436 10.025 -16.736 1.00 21.72 H new ATOM 0 HD2 PHE A 175 -0.564 12.881 -18.789 1.00 21.91 H new ATOM 0 HE1 PHE A 175 -1.899 8.463 -18.460 1.00 22.76 H new ATOM 0 HE2 PHE A 175 -0.028 11.352 -20.489 1.00 23.47 H new ATOM 0 HZ PHE A 175 -0.744 9.145 -20.316 1.00 25.04 H new ATOM 1290 N GLU A 176 0.866 10.916 -15.368 1.00 20.93 N ANISOU 1290 N GLU A 176 2786 2521 2642 -74 -209 302 N ATOM 1291 CA GLU A 176 2.282 10.734 -15.571 1.00 21.52 C ANISOU 1291 CA GLU A 176 2849 2579 2748 -110 -175 294 C ATOM 1292 C GLU A 176 2.628 10.094 -16.937 1.00 22.58 C ANISOU 1292 C GLU A 176 3003 2736 2838 -134 -138 336 C ATOM 1293 O GLU A 176 3.640 10.426 -17.542 1.00 23.59 O ANISOU 1293 O GLU A 176 3128 2844 2990 -164 -100 354 O ATOM 1294 CB GLU A 176 2.898 9.883 -14.441 1.00 20.78 C ANISOU 1294 CB GLU A 176 2721 2512 2659 -105 -186 235 C ATOM 1295 CG GLU A 176 3.007 10.655 -13.147 1.00 19.25 C ANISOU 1295 CG GLU A 176 2501 2295 2516 -79 -216 185 C ATOM 1296 CD GLU A 176 3.630 9.875 -12.039 1.00 22.06 C ANISOU 1296 CD GLU A 176 2828 2682 2869 -63 -229 129 C ATOM 1297 OE1 GLU A 176 3.510 8.633 -11.996 1.00 22.60 O ANISOU 1297 OE1 GLU A 176 2904 2797 2887 -61 -226 133 O ATOM 1298 OE2 GLU A 176 4.141 10.539 -11.121 1.00 24.36 O ANISOU 1298 OE2 GLU A 176 3093 2951 3211 -43 -250 77 O ATOM 0 H GLU A 176 0.430 10.191 -15.216 1.00 20.93 H new ATOM 0 HA GLU A 176 2.664 11.626 -15.561 1.00 21.52 H new ATOM 0 HB2 GLU A 176 2.355 9.092 -14.300 1.00 20.78 H new ATOM 0 HB3 GLU A 176 3.779 9.578 -14.710 1.00 20.78 H new ATOM 0 HG2 GLU A 176 3.529 11.458 -13.301 1.00 19.25 H new ATOM 0 HG3 GLU A 176 2.121 10.941 -12.874 1.00 19.25 H new ATOM 1299 N GLY A 177 1.835 9.159 -17.373 1.00 23.07 N ANISOU 1299 N GLY A 177 3081 2846 2837 -119 -150 346 N ATOM 1300 CA GLY A 177 2.036 8.541 -18.661 1.00 23.12 C ANISOU 1300 CA GLY A 177 3107 2882 2794 -126 -126 374 C ATOM 1301 C GLY A 177 1.236 7.261 -18.776 1.00 22.39 C ANISOU 1301 C GLY A 177 3019 2837 2651 -110 -155 358 C ATOM 1302 O GLY A 177 0.482 6.913 -17.843 1.00 24.37 O ANISOU 1302 O GLY A 177 3256 3097 2906 -100 -187 336 O ATOM 0 H GLY A 177 1.159 8.858 -16.934 1.00 23.07 H new ATOM 0 HA2 GLY A 177 1.773 9.156 -19.364 1.00 23.12 H new ATOM 0 HA3 GLY A 177 2.978 8.351 -18.789 1.00 23.12 H new ATOM 1303 N THR A 178 1.394 6.600 -19.911 1.00 21.08 N ANISOU 1303 N THR A 178 2867 2702 2437 -107 -144 369 N ATOM 1304 CA THR A 178 0.686 5.414 -20.251 1.00 20.91 C ANISOU 1304 CA THR A 178 2851 2717 2374 -92 -178 352 C ATOM 1305 C THR A 178 1.636 4.271 -20.585 1.00 21.33 C ANISOU 1305 C THR A 178 2899 2794 2411 -97 -172 320 C ATOM 1306 O THR A 178 2.486 4.384 -21.402 1.00 22.54 O ANISOU 1306 O THR A 178 3055 2964 2543 -96 -138 330 O ATOM 1307 CB THR A 178 -0.227 5.638 -21.457 1.00 22.74 C ANISOU 1307 CB THR A 178 3111 2971 2558 -65 -189 381 C ATOM 1308 OG1 THR A 178 -1.134 6.701 -21.212 1.00 21.65 O ANISOU 1308 OG1 THR A 178 2982 2810 2433 -51 -196 410 O ATOM 1309 CG2 THR A 178 -0.980 4.367 -21.795 1.00 25.22 C ANISOU 1309 CG2 THR A 178 3421 3320 2841 -51 -236 349 C ATOM 0 H THR A 178 1.944 6.853 -20.522 1.00 21.08 H new ATOM 0 HA THR A 178 0.156 5.181 -19.473 1.00 20.91 H new ATOM 0 HB THR A 178 0.327 5.880 -22.216 1.00 22.74 H new ATOM 0 HG1 THR A 178 -1.793 6.413 -20.778 1.00 21.65 H new ATOM 0 HG21 THR A 178 -1.554 4.525 -22.561 1.00 25.22 H new ATOM 0 HG22 THR A 178 -0.348 3.662 -22.005 1.00 25.22 H new ATOM 0 HG23 THR A 178 -1.521 4.100 -21.036 1.00 25.22 H new ATOM 1310 N LEU A 179 1.426 3.177 -19.877 1.00 21.09 N ANISOU 1310 N LEU A 179 2858 2765 2390 -101 -207 285 N ATOM 1311 CA ALEU A 179 2.146 1.945 -20.042 0.50 21.13 C ANISOU 1311 CA ALEU A 179 2860 2782 2383 -98 -220 246 C ATOM 1312 CA BLEU A 179 2.157 1.953 -20.059 0.50 19.71 C ANISOU 1312 CA BLEU A 179 2680 2603 2203 -98 -220 246 C ATOM 1313 C LEU A 179 1.448 1.129 -21.152 1.00 21.24 C ANISOU 1313 C LEU A 179 2890 2822 2355 -77 -254 237 C ATOM 1314 O LEU A 179 0.392 0.497 -20.933 1.00 22.28 O ANISOU 1314 O LEU A 179 3022 2948 2494 -80 -296 231 O ATOM 1315 CB ALEU A 179 2.200 1.189 -18.726 0.50 20.93 C ANISOU 1315 CB ALEU A 179 2824 2736 2391 -109 -245 221 C ATOM 1316 CB BLEU A 179 2.279 1.189 -18.759 0.50 18.48 C ANISOU 1316 CB BLEU A 179 2513 2427 2080 -109 -244 220 C ATOM 1317 CG ALEU A 179 3.280 1.514 -17.706 0.50 23.08 C ANISOU 1317 CG ALEU A 179 3079 2994 2696 -115 -225 201 C ATOM 1318 CG BLEU A 179 2.562 1.965 -17.491 0.50 14.26 C ANISOU 1318 CG BLEU A 179 1962 1871 1583 -117 -227 222 C ATOM 1319 CD1ALEU A 179 3.795 2.950 -17.794 0.50 27.73 C ANISOU 1319 CD1ALEU A 179 3655 3574 3306 -123 -183 218 C ATOM 1320 CD1BLEU A 179 2.260 1.077 -16.273 0.50 17.90 C ANISOU 1320 CD1BLEU A 179 2420 2323 2057 -118 -257 209 C ATOM 1321 CD2ALEU A 179 2.856 1.079 -16.279 0.50 24.25 C ANISOU 1321 CD2ALEU A 179 3221 3126 2865 -116 -250 196 C ATOM 1322 CD2BLEU A 179 4.023 2.381 -17.530 0.50 17.38 C ANISOU 1322 CD2BLEU A 179 2342 2265 1995 -120 -195 199 C ATOM 0 H ALEU A 179 0.830 3.136 -19.259 0.50 21.09 H new ATOM 0 H BLEU A 179 0.832 3.130 -19.257 0.50 21.09 H new ATOM 0 HA ALEU A 179 3.064 2.114 -20.305 0.50 19.71 H new ATOM 0 HA BLEU A 179 3.065 2.145 -20.342 0.50 19.71 H new ATOM 0 HB2ALEU A 179 1.343 1.311 -18.288 0.50 18.48 H new ATOM 0 HB2BLEU A 179 1.453 0.698 -18.627 0.50 18.48 H new ATOM 0 HB3ALEU A 179 2.278 0.246 -18.938 0.50 18.48 H new ATOM 0 HB3BLEU A 179 2.985 0.533 -18.867 0.50 18.48 H new ATOM 0 HG ALEU A 179 4.056 0.979 -17.936 0.50 14.26 H new ATOM 0 HG BLEU A 179 2.003 2.755 -17.422 0.50 14.26 H new ATOM 0 HD11ALEU A 179 4.478 3.091 -17.120 0.50 17.90 H new ATOM 0 HD11BLEU A 179 2.441 1.572 -15.459 0.50 17.90 H new ATOM 0 HD12ALEU A 179 4.173 3.105 -18.674 0.50 17.90 H new ATOM 0 HD12BLEU A 179 1.327 0.811 -16.289 0.50 17.90 H new ATOM 0 HD13ALEU A 179 3.061 3.567 -17.644 0.50 17.90 H new ATOM 0 HD13BLEU A 179 2.821 0.286 -16.301 0.50 17.90 H new ATOM 0 HD21ALEU A 179 3.562 1.298 -15.651 0.50 17.38 H new ATOM 0 HD21BLEU A 179 4.238 2.883 -16.728 0.50 17.38 H new ATOM 0 HD22ALEU A 179 2.043 1.545 -16.027 0.50 17.38 H new ATOM 0 HD22BLEU A 179 4.584 1.591 -17.577 0.50 17.38 H new ATOM 0 HD23ALEU A 179 2.697 0.122 -16.266 0.50 17.38 H new ATOM 0 HD23BLEU A 179 4.181 2.936 -18.310 0.50 17.38 H new ATOM 1323 N ARG A 180 2.052 1.135 -22.349 1.00 22.34 N ANISOU 1323 N ARG A 180 3039 2997 2451 -54 -235 234 N ATOM 1324 CA ARG A 180 1.444 0.535 -23.475 1.00 22.96 C ANISOU 1324 CA ARG A 180 3132 3108 2483 -21 -268 220 C ATOM 1325 C ARG A 180 1.583 -0.991 -23.432 1.00 23.99 C ANISOU 1325 C ARG A 180 3259 3234 2620 -12 -321 161 C ATOM 1326 O ARG A 180 2.655 -1.491 -23.167 1.00 24.89 O ANISOU 1326 O ARG A 180 3366 3349 2742 -12 -315 130 O ATOM 1327 CB ARG A 180 2.087 1.066 -24.749 1.00 25.17 C ANISOU 1327 CB ARG A 180 3422 3437 2702 8 -227 239 C ATOM 1328 CG ARG A 180 2.170 2.654 -24.842 1.00 26.06 C ANISOU 1328 CG ARG A 180 3544 3541 2817 -4 -169 309 C ATOM 1329 CD ARG A 180 3.102 3.032 -26.000 1.00 27.72 C ANISOU 1329 CD ARG A 180 3759 3802 2970 15 -115 335 C ATOM 1330 NE ARG A 180 4.422 2.455 -25.738 1.00 27.89 N ANISOU 1330 NE ARG A 180 3751 3840 3006 2 -94 295 N ATOM 1331 CZ ARG A 180 5.336 2.224 -26.670 1.00 29.07 C ANISOU 1331 CZ ARG A 180 3891 4053 3101 27 -60 288 C ATOM 1332 NH1 ARG A 180 5.092 2.564 -27.938 1.00 28.71 N ANISOU 1332 NH1 ARG A 180 3867 4062 2979 66 -38 326 N ATOM 1333 NH2 ARG A 180 6.511 1.698 -26.334 1.00 28.05 N ANISOU 1333 NH2 ARG A 180 3727 3940 2988 18 -45 242 N ATOM 0 H ARG A 180 2.820 1.491 -22.502 1.00 22.34 H new ATOM 0 HA ARG A 180 0.500 0.757 -23.463 1.00 22.96 H new ATOM 0 HB2 ARG A 180 2.984 0.703 -24.820 1.00 25.17 H new ATOM 0 HB3 ARG A 180 1.586 0.735 -25.511 1.00 25.17 H new ATOM 0 HG2 ARG A 180 1.287 3.029 -24.985 1.00 26.06 H new ATOM 0 HG3 ARG A 180 2.503 3.023 -24.009 1.00 26.06 H new ATOM 0 HD2 ARG A 180 2.749 2.699 -26.840 1.00 27.72 H new ATOM 0 HD3 ARG A 180 3.165 3.997 -26.081 1.00 27.72 H new ATOM 0 HE ARG A 180 4.617 2.252 -24.925 1.00 27.89 H new ATOM 0 HH11 ARG A 180 4.344 2.932 -28.148 1.00 28.71 H new ATOM 0 HH12 ARG A 180 5.683 2.415 -28.544 1.00 28.71 H new ATOM 0 HH21 ARG A 180 6.678 1.508 -25.512 1.00 28.05 H new ATOM 0 HH22 ARG A 180 7.104 1.548 -26.939 1.00 28.05 H new ATOM 1334 N GLN A 181 0.534 -1.699 -23.854 1.00 24.97 N ANISOU 1334 N GLN A 181 3388 3358 2739 0 -377 140 N ATOM 1335 CA GLN A 181 0.492 -3.179 -23.812 1.00 25.56 C ANISOU 1335 CA GLN A 181 3463 3412 2836 4 -440 84 C ATOM 1336 C GLN A 181 0.990 -3.721 -22.452 1.00 24.21 C ANISOU 1336 C GLN A 181 3287 3191 2719 -31 -443 81 C ATOM 1337 O GLN A 181 1.715 -4.727 -22.393 1.00 25.63 O ANISOU 1337 O GLN A 181 3473 3357 2908 -18 -473 37 O ATOM 1338 CB GLN A 181 1.292 -3.826 -24.972 1.00 25.98 C ANISOU 1338 CB GLN A 181 3524 3509 2838 57 -458 31 C ATOM 1339 CG GLN A 181 0.834 -3.261 -26.318 1.00 27.62 C ANISOU 1339 CG GLN A 181 3740 3776 2978 103 -452 39 C ATOM 1340 CD GLN A 181 1.412 -3.976 -27.537 1.00 30.21 C ANISOU 1340 CD GLN A 181 4072 4161 3243 169 -480 -20 C ATOM 1341 OE1 GLN A 181 2.331 -4.808 -27.444 1.00 33.92 O ANISOU 1341 OE1 GLN A 181 4537 4630 3718 182 -497 -70 O ATOM 1342 NE2 GLN A 181 0.904 -3.610 -28.683 1.00 24.96 N ANISOU 1342 NE2 GLN A 181 3418 3552 2514 218 -484 -17 N ATOM 0 H GLN A 181 -0.179 -1.341 -24.175 1.00 24.97 H new ATOM 0 HA GLN A 181 -0.439 -3.428 -23.923 1.00 25.56 H new ATOM 0 HB2 GLN A 181 2.240 -3.660 -24.851 1.00 25.98 H new ATOM 0 HB3 GLN A 181 1.169 -4.788 -24.960 1.00 25.98 H new ATOM 0 HG2 GLN A 181 -0.134 -3.304 -26.361 1.00 27.62 H new ATOM 0 HG3 GLN A 181 1.078 -2.323 -26.362 1.00 27.62 H new ATOM 0 HE21 GLN A 181 0.268 -3.031 -28.706 1.00 24.96 H new ATOM 0 HE22 GLN A 181 1.205 -3.948 -29.414 1.00 24.96 H new ATOM 1343 N ALA A 182 0.493 -3.115 -21.390 1.00 22.99 N ANISOU 1343 N ALA A 182 3123 3013 2597 -66 -420 125 N ATOM 1344 CA ALA A 182 0.906 -3.471 -20.038 1.00 24.20 C ANISOU 1344 CA ALA A 182 3273 3129 2791 -92 -417 130 C ATOM 1345 C ALA A 182 0.322 -4.805 -19.643 1.00 24.94 C ANISOU 1345 C ALA A 182 3373 3181 2922 -109 -474 117 C ATOM 1346 O ALA A 182 0.992 -5.639 -18.959 1.00 25.49 O ANISOU 1346 O ALA A 182 3455 3216 3012 -111 -493 102 O ATOM 1347 CB ALA A 182 0.450 -2.368 -19.061 1.00 24.03 C ANISOU 1347 CB ALA A 182 3237 3106 2784 -114 -378 177 C ATOM 0 H ALA A 182 -0.092 -2.486 -21.427 1.00 22.99 H new ATOM 0 HA ALA A 182 1.873 -3.546 -20.006 1.00 24.20 H new ATOM 0 HB1 ALA A 182 0.723 -2.601 -18.160 1.00 24.03 H new ATOM 0 HB2 ALA A 182 0.856 -1.524 -19.313 1.00 24.03 H new ATOM 0 HB3 ALA A 182 -0.516 -2.285 -19.095 1.00 24.03 H new HETATM 1348 N MSE A 183 -0.929 -5.031 -20.061 1.00 25.97 N ANISOU 1348 N MSE A 183 3488 3468 2909 73 -449 93 N HETATM 1349 CA MSE A 183 -1.630 -6.267 -19.726 1.00 27.86 C ANISOU 1349 CA MSE A 183 3730 3657 3198 76 -432 133 C HETATM 1350 C MSE A 183 -2.475 -6.878 -20.875 1.00 28.04 C ANISOU 1350 C MSE A 183 3746 3650 3257 57 -358 39 C HETATM 1351 O MSE A 183 -2.797 -6.227 -21.838 1.00 26.25 O ANISOU 1351 O MSE A 183 3524 3484 2964 34 -351 -24 O HETATM 1352 CB MSE A 183 -2.580 -6.002 -18.512 1.00 28.66 C ANISOU 1352 CB MSE A 183 3882 3811 3194 33 -448 172 C HETATM 1353 CG MSE A 183 -1.910 -5.617 -17.261 1.00 30.10 C ANISOU 1353 CG MSE A 183 4067 4079 3289 -7 -511 247 C HETATM 1354 SE MSE A 183 -3.078 -4.800 -15.836 0.80 37.21 SE ANISOU 1354 SE MSE A 183 5027 5095 4015 -145 -466 187 SE HETATM 1355 CE MSE A 183 -4.019 -6.450 -15.527 1.00 41.95 C ANISOU 1355 CE MSE A 183 5672 5622 4645 -157 -437 289 C HETATM 0 H MSE A 183 -1.385 -4.480 -20.538 1.00 25.97 H new HETATM 0 HA MSE A 183 -0.934 -6.912 -19.525 1.00 27.86 H new HETATM 0 HB2 MSE A 183 -3.204 -5.301 -18.756 1.00 28.66 H new HETATM 0 HB3 MSE A 183 -3.102 -6.803 -18.348 1.00 28.66 H new HETATM 0 HG2 MSE A 183 -1.483 -6.405 -16.890 1.00 30.10 H new HETATM 0 HG3 MSE A 183 -1.205 -4.986 -17.475 1.00 30.10 H new HETATM 0 HE1 MSE A 183 -4.686 -6.318 -14.835 1.00 41.95 H new HETATM 0 HE2 MSE A 183 -4.455 -6.732 -16.346 1.00 41.95 H new HETATM 0 HE3 MSE A 183 -3.391 -7.133 -15.244 1.00 41.95 H new ATOM 1356 N VAL A 184 -2.808 -8.150 -20.730 1.00 29.13 N ANISOU 1356 N VAL A 184 3866 3703 3499 50 -301 43 N ATOM 1357 CA VAL A 184 -3.844 -8.754 -21.527 1.00 31.03 C ANISOU 1357 CA VAL A 184 4093 3947 3750 -5 -217 -74 C ATOM 1358 C VAL A 184 -4.992 -9.038 -20.586 1.00 30.76 C ANISOU 1358 C VAL A 184 4097 3904 3686 -23 -208 -39 C ATOM 1359 O VAL A 184 -4.856 -9.841 -19.642 1.00 34.47 O ANISOU 1359 O VAL A 184 4586 4276 4232 -17 -185 64 O ATOM 1360 CB VAL A 184 -3.322 -10.036 -22.202 1.00 32.50 C ANISOU 1360 CB VAL A 184 4210 4011 4127 -33 -93 -161 C ATOM 1361 CG1 VAL A 184 -4.471 -10.801 -22.944 1.00 30.82 C ANISOU 1361 CG1 VAL A 184 3968 3822 3920 -134 23 -329 C ATOM 1362 CG2 VAL A 184 -2.247 -9.649 -23.190 1.00 32.72 C ANISOU 1362 CG2 VAL A 184 4195 4069 4166 -51 -76 -243 C ATOM 0 H VAL A 184 -2.437 -8.683 -20.166 1.00 29.13 H new ATOM 0 HA VAL A 184 -4.135 -8.170 -22.245 1.00 31.03 H new ATOM 0 HB VAL A 184 -2.966 -10.629 -21.522 1.00 32.50 H new ATOM 0 HG11 VAL A 184 -4.112 -11.602 -23.358 1.00 30.82 H new ATOM 0 HG12 VAL A 184 -5.160 -11.048 -22.307 1.00 30.82 H new ATOM 0 HG13 VAL A 184 -4.853 -10.228 -23.627 1.00 30.82 H new ATOM 0 HG21 VAL A 184 -1.906 -10.446 -23.626 1.00 32.72 H new ATOM 0 HG22 VAL A 184 -2.620 -9.051 -23.856 1.00 32.72 H new ATOM 0 HG23 VAL A 184 -1.524 -9.202 -22.723 1.00 32.72 H new ATOM 1363 N VAL A 185 -6.116 -8.371 -20.794 1.00 29.75 N ANISOU 1363 N VAL A 185 3969 3874 3459 -51 -225 -106 N ATOM 1364 CA VAL A 185 -7.264 -8.459 -19.920 1.00 29.42 C ANISOU 1364 CA VAL A 185 3946 3835 3394 -86 -197 -116 C ATOM 1365 C VAL A 185 -8.448 -8.894 -20.759 1.00 29.92 C ANISOU 1365 C VAL A 185 3944 3951 3473 -140 -143 -259 C ATOM 1366 O VAL A 185 -8.786 -8.246 -21.750 1.00 26.82 O ANISOU 1366 O VAL A 185 3490 3675 3023 -137 -204 -309 O ATOM 1367 CB VAL A 185 -7.617 -7.047 -19.265 1.00 30.64 C ANISOU 1367 CB VAL A 185 4112 4057 3471 -73 -254 -100 C ATOM 1368 CG1 VAL A 185 -8.980 -7.002 -18.515 1.00 27.64 C ANISOU 1368 CG1 VAL A 185 3720 3688 3092 -133 -191 -176 C ATOM 1369 CG2 VAL A 185 -6.511 -6.636 -18.267 1.00 26.28 C ANISOU 1369 CG2 VAL A 185 3615 3501 2868 -69 -293 3 C ATOM 0 H VAL A 185 -6.232 -7.844 -21.463 1.00 29.75 H new ATOM 0 HA VAL A 185 -7.065 -9.086 -19.207 1.00 29.42 H new ATOM 0 HB VAL A 185 -7.681 -6.432 -20.013 1.00 30.64 H new ATOM 0 HG11 VAL A 185 -9.119 -6.115 -18.148 1.00 27.64 H new ATOM 0 HG12 VAL A 185 -9.697 -7.211 -19.134 1.00 27.64 H new ATOM 0 HG13 VAL A 185 -8.975 -7.652 -17.795 1.00 27.64 H new ATOM 0 HG21 VAL A 185 -6.733 -5.778 -17.874 1.00 26.28 H new ATOM 0 HG22 VAL A 185 -6.442 -7.304 -17.567 1.00 26.28 H new ATOM 0 HG23 VAL A 185 -5.663 -6.568 -18.733 1.00 26.28 H new ATOM 1370 N LYS A 186 -9.107 -9.978 -20.336 1.00 30.83 N ANISOU 1370 N LYS A 186 4064 3993 3657 -202 -34 -313 N ATOM 1371 CA LYS A 186 -10.307 -10.460 -21.000 1.00 32.17 C ANISOU 1371 CA LYS A 186 4151 4228 3841 -280 33 -484 C ATOM 1372 C LYS A 186 -10.123 -10.549 -22.506 1.00 32.44 C ANISOU 1372 C LYS A 186 4104 4381 3839 -320 17 -593 C ATOM 1373 O LYS A 186 -10.894 -9.999 -23.255 1.00 32.87 O ANISOU 1373 O LYS A 186 4072 4613 3803 -347 -60 -657 O ATOM 1374 CB LYS A 186 -11.494 -9.545 -20.633 1.00 31.09 C ANISOU 1374 CB LYS A 186 3965 4188 3658 -277 -19 -524 C ATOM 1375 CG LYS A 186 -11.789 -9.634 -19.166 1.00 33.21 C ANISOU 1375 CG LYS A 186 4313 4365 3939 -310 52 -482 C ATOM 1376 CD LYS A 186 -12.814 -8.646 -18.620 1.00 29.50 C ANISOU 1376 CD LYS A 186 3784 3951 3471 -319 44 -553 C ATOM 1377 CE LYS A 186 -13.064 -8.960 -17.107 1.00 29.67 C ANISOU 1377 CE LYS A 186 3905 3904 3461 -423 164 -545 C ATOM 1378 NZ LYS A 186 -13.817 -7.831 -16.441 1.00 29.38 N ANISOU 1378 NZ LYS A 186 3809 3906 3448 -454 191 -646 N ATOM 0 H LYS A 186 -8.866 -10.449 -19.658 1.00 30.83 H new ATOM 0 HA LYS A 186 -10.491 -11.361 -20.692 1.00 32.17 H new ATOM 0 HB2 LYS A 186 -11.289 -8.628 -20.872 1.00 31.09 H new ATOM 0 HB3 LYS A 186 -12.278 -9.803 -21.143 1.00 31.09 H new ATOM 0 HG2 LYS A 186 -12.099 -10.532 -18.972 1.00 33.21 H new ATOM 0 HG3 LYS A 186 -10.958 -9.510 -18.681 1.00 33.21 H new ATOM 0 HD2 LYS A 186 -12.493 -7.737 -18.725 1.00 29.50 H new ATOM 0 HD3 LYS A 186 -13.644 -8.713 -19.118 1.00 29.50 H new ATOM 0 HE2 LYS A 186 -13.568 -9.784 -17.023 1.00 29.67 H new ATOM 0 HE3 LYS A 186 -12.216 -9.099 -16.657 1.00 29.67 H new ATOM 0 HZ1 LYS A 186 -14.063 -8.080 -15.623 1.00 29.38 H new ATOM 0 HZ2 LYS A 186 -13.292 -7.115 -16.387 1.00 29.38 H new ATOM 0 HZ3 LYS A 186 -14.540 -7.633 -16.921 1.00 29.38 H new ATOM 1379 N ARG A 187 -8.988 -11.104 -22.911 1.00 33.60 N ANISOU 1379 N ARG A 187 4269 4443 4051 -324 74 -590 N ATOM 1380 CA ARG A 187 -8.668 -11.363 -24.292 1.00 36.17 C ANISOU 1380 CA ARG A 187 4527 4877 4338 -417 114 -735 C ATOM 1381 C ARG A 187 -8.568 -10.108 -25.135 1.00 35.26 C ANISOU 1381 C ARG A 187 4397 4973 4027 -407 -46 -678 C ATOM 1382 O ARG A 187 -8.803 -10.130 -26.329 1.00 35.47 O ANISOU 1382 O ARG A 187 4356 5195 3924 -527 -53 -790 O ATOM 1383 CB ARG A 187 -9.708 -12.354 -24.909 1.00 38.70 C ANISOU 1383 CB ARG A 187 4752 5272 4677 -575 250 -973 C ATOM 1384 CG ARG A 187 -9.890 -13.603 -24.101 1.00 42.41 C ANISOU 1384 CG ARG A 187 5241 5500 5372 -596 441 -1019 C ATOM 1385 CD ARG A 187 -11.008 -14.414 -24.726 1.00 50.27 C ANISOU 1385 CD ARG A 187 6130 6593 6375 -771 584 -1288 C ATOM 1386 NE ARG A 187 -10.587 -14.943 -26.039 1.00 56.70 N ANISOU 1386 NE ARG A 187 6854 7508 7181 -933 704 -1522 N ATOM 1387 CZ ARG A 187 -11.398 -15.202 -27.079 1.00 61.63 C ANISOU 1387 CZ ARG A 187 7353 8393 7667 -1135 753 -1784 C ATOM 1388 NH1 ARG A 187 -12.727 -14.969 -27.034 1.00 61.01 N ANISOU 1388 NH1 ARG A 187 7203 8510 7468 -1178 668 -1838 N ATOM 1389 NH2 ARG A 187 -10.867 -15.701 -28.189 1.00 63.71 N ANISOU 1389 NH2 ARG A 187 7545 8749 7912 -1318 895 -2015 N ATOM 0 H ARG A 187 -8.368 -11.345 -22.367 1.00 33.60 H new ATOM 0 HA ARG A 187 -7.785 -11.765 -24.300 1.00 36.17 H new ATOM 0 HB2 ARG A 187 -10.563 -11.904 -24.994 1.00 38.70 H new ATOM 0 HB3 ARG A 187 -9.424 -12.595 -25.805 1.00 38.70 H new ATOM 0 HG2 ARG A 187 -9.068 -14.117 -24.084 1.00 42.41 H new ATOM 0 HG3 ARG A 187 -10.106 -13.382 -23.181 1.00 42.41 H new ATOM 0 HD2 ARG A 187 -11.252 -15.146 -24.139 1.00 50.27 H new ATOM 0 HD3 ARG A 187 -11.797 -13.860 -24.832 1.00 50.27 H new ATOM 0 HE ARG A 187 -9.748 -15.099 -26.148 1.00 56.70 H new ATOM 0 HH11 ARG A 187 -13.083 -14.644 -26.322 1.00 61.01 H new ATOM 0 HH12 ARG A 187 -13.218 -15.146 -27.718 1.00 61.01 H new ATOM 0 HH21 ARG A 187 -10.021 -15.852 -28.231 1.00 63.71 H new ATOM 0 HH22 ARG A 187 -11.369 -15.874 -28.866 1.00 63.71 H new ATOM 1390 N ARG A 188 -8.228 -8.997 -24.507 1.00 33.94 N ANISOU 1390 N ARG A 188 4291 4774 3831 -283 -167 -498 N ATOM 1391 CA ARG A 188 -7.849 -7.838 -25.275 1.00 33.61 C ANISOU 1391 CA ARG A 188 4251 4859 3657 -264 -286 -408 C ATOM 1392 C ARG A 188 -6.682 -7.080 -24.609 1.00 30.40 C ANISOU 1392 C ARG A 188 3926 4328 3294 -162 -317 -275 C ATOM 1393 O ARG A 188 -6.392 -7.284 -23.453 1.00 27.69 O ANISOU 1393 O ARG A 188 3623 3849 3045 -102 -291 -231 O ATOM 1394 CB ARG A 188 -9.069 -6.948 -25.632 1.00 35.84 C ANISOU 1394 CB ARG A 188 4459 5304 3853 -247 -420 -343 C ATOM 1395 CG ARG A 188 -9.779 -6.198 -24.537 1.00 40.49 C ANISOU 1395 CG ARG A 188 5037 5799 4545 -134 -465 -260 C ATOM 1396 CD ARG A 188 -11.029 -5.469 -25.121 1.00 47.56 C ANISOU 1396 CD ARG A 188 5797 6848 5425 -114 -594 -206 C ATOM 1397 NE ARG A 188 -10.668 -4.378 -26.058 1.00 51.93 N ANISOU 1397 NE ARG A 188 6339 7498 5895 -81 -725 -24 N ATOM 1398 CZ ARG A 188 -11.533 -3.608 -26.733 1.00 57.35 C ANISOU 1398 CZ ARG A 188 6897 8320 6571 -45 -878 115 C ATOM 1399 NH1 ARG A 188 -12.850 -3.778 -26.627 1.00 59.58 N ANISOU 1399 NH1 ARG A 188 7025 8679 6933 -34 -928 64 N ATOM 1400 NH2 ARG A 188 -11.075 -2.665 -27.555 1.00 59.89 N ANISOU 1400 NH2 ARG A 188 7235 8707 6814 -25 -986 326 N ATOM 0 H ARG A 188 -8.211 -8.897 -23.653 1.00 33.94 H new ATOM 0 HA ARG A 188 -7.508 -8.142 -26.131 1.00 33.61 H new ATOM 0 HB2 ARG A 188 -8.773 -6.297 -26.287 1.00 35.84 H new ATOM 0 HB3 ARG A 188 -9.724 -7.513 -26.070 1.00 35.84 H new ATOM 0 HG2 ARG A 188 -10.050 -6.812 -23.836 1.00 40.49 H new ATOM 0 HG3 ARG A 188 -9.178 -5.553 -24.133 1.00 40.49 H new ATOM 0 HD2 ARG A 188 -11.589 -6.113 -25.581 1.00 47.56 H new ATOM 0 HD3 ARG A 188 -11.556 -5.104 -24.393 1.00 47.56 H new ATOM 0 HE ARG A 188 -9.830 -4.226 -26.179 1.00 51.93 H new ATOM 0 HH11 ARG A 188 -13.164 -4.394 -26.116 1.00 59.58 H new ATOM 0 HH12 ARG A 188 -13.386 -3.272 -27.070 1.00 59.58 H new ATOM 0 HH21 ARG A 188 -10.228 -2.552 -27.651 1.00 59.89 H new ATOM 0 HH22 ARG A 188 -11.627 -2.169 -27.990 1.00 59.89 H new ATOM 1401 N ASN A 189 -6.007 -6.273 -25.416 1.00 30.14 N ANISOU 1401 N ASN A 189 3910 4369 3171 -174 -367 -221 N ATOM 1402 CA ASN A 189 -4.963 -5.412 -24.955 1.00 29.80 C ANISOU 1402 CA ASN A 189 3925 4238 3158 -102 -388 -125 C ATOM 1403 C ASN A 189 -5.463 -4.430 -23.888 1.00 29.01 C ANISOU 1403 C ASN A 189 3839 4076 3107 -7 -443 -27 C ATOM 1404 O ASN A 189 -6.602 -3.927 -23.939 1.00 29.99 O ANISOU 1404 O ASN A 189 3915 4244 3234 15 -494 7 O ATOM 1405 CB ASN A 189 -4.409 -4.609 -26.122 1.00 30.28 C ANISOU 1405 CB ASN A 189 4004 4401 3098 -156 -418 -79 C ATOM 1406 CG ASN A 189 -3.316 -3.707 -25.682 1.00 28.02 C ANISOU 1406 CG ASN A 189 3770 4016 2859 -99 -412 -11 C ATOM 1407 OD1 ASN A 189 -2.228 -4.200 -25.433 1.00 29.35 O ANISOU 1407 OD1 ASN A 189 3940 4111 3097 -108 -347 -82 O ATOM 1408 ND2 ASN A 189 -3.565 -2.382 -25.597 1.00 22.79 N ANISOU 1408 ND2 ASN A 189 3126 3337 2193 -44 -468 119 N ATOM 0 H ASN A 189 -6.155 -6.218 -26.261 1.00 30.14 H new ATOM 0 HA ASN A 189 -4.276 -5.974 -24.564 1.00 29.80 H new ATOM 0 HB2 ASN A 189 -4.078 -5.213 -26.805 1.00 30.28 H new ATOM 0 HB3 ASN A 189 -5.120 -4.087 -26.525 1.00 30.28 H new ATOM 0 HD21 ASN A 189 -2.940 -1.842 -25.358 1.00 22.79 H new ATOM 0 HD22 ASN A 189 -4.348 -2.079 -25.782 1.00 22.79 H new ATOM 1409 N ARG A 190 -4.595 -4.146 -22.932 1.00 28.30 N ANISOU 1409 N ARG A 190 3788 3891 3071 30 -423 -4 N ATOM 1410 CA ARG A 190 -4.782 -3.046 -22.002 1.00 25.27 C ANISOU 1410 CA ARG A 190 3414 3463 2724 71 -433 37 C ATOM 1411 C ARG A 190 -3.535 -2.203 -21.957 1.00 23.07 C ANISOU 1411 C ARG A 190 3164 3154 2446 74 -422 60 C ATOM 1412 O ARG A 190 -2.487 -2.713 -21.757 1.00 24.70 O ANISOU 1412 O ARG A 190 3379 3353 2651 60 -412 38 O ATOM 1413 CB ARG A 190 -5.048 -3.527 -20.594 1.00 25.74 C ANISOU 1413 CB ARG A 190 3490 3490 2799 53 -403 9 C ATOM 1414 CG ARG A 190 -4.869 -2.433 -19.591 1.00 26.09 C ANISOU 1414 CG ARG A 190 3535 3513 2866 39 -372 -9 C ATOM 1415 CD ARG A 190 -5.641 -2.637 -18.312 1.00 40.97 C ANISOU 1415 CD ARG A 190 5442 5430 4693 -34 -344 -40 C ATOM 1416 NE ARG A 190 -5.070 -1.867 -17.228 1.00 35.21 N ANISOU 1416 NE ARG A 190 4710 4715 3950 -102 -288 -102 N ATOM 1417 CZ ARG A 190 -5.535 -1.773 -15.999 1.00 29.91 C ANISOU 1417 CZ ARG A 190 4043 4095 3226 -218 -215 -187 C ATOM 1418 NH1 ARG A 190 -4.891 -1.033 -15.156 1.00 27.98 N ANISOU 1418 NH1 ARG A 190 3792 3914 2923 -313 -175 -256 N ATOM 1419 NH2 ARG A 190 -6.601 -2.401 -15.602 1.00 29.12 N ANISOU 1419 NH2 ARG A 190 3946 3998 3120 -276 -160 -238 N ATOM 0 H ARG A 190 -3.871 -4.592 -22.803 1.00 28.30 H new ATOM 0 HA ARG A 190 -5.548 -2.540 -22.317 1.00 25.27 H new ATOM 0 HB2 ARG A 190 -5.952 -3.874 -20.536 1.00 25.74 H new ATOM 0 HB3 ARG A 190 -4.448 -4.260 -20.384 1.00 25.74 H new ATOM 0 HG2 ARG A 190 -3.926 -2.353 -19.379 1.00 26.09 H new ATOM 0 HG3 ARG A 190 -5.142 -1.593 -19.991 1.00 26.09 H new ATOM 0 HD2 ARG A 190 -6.566 -2.377 -18.445 1.00 40.97 H new ATOM 0 HD3 ARG A 190 -5.642 -3.578 -18.078 1.00 40.97 H new ATOM 0 HE ARG A 190 -4.353 -1.425 -17.404 1.00 35.21 H new ATOM 0 HH11 ARG A 190 -4.179 -0.618 -15.404 1.00 27.98 H new ATOM 0 HH12 ARG A 190 -5.174 -0.955 -14.348 1.00 27.98 H new ATOM 0 HH21 ARG A 190 -7.034 -2.903 -16.150 1.00 29.12 H new ATOM 0 HH22 ARG A 190 -6.874 -2.315 -14.791 1.00 29.12 H new ATOM 1420 N ASP A 191 -3.686 -0.917 -22.189 1.00 23.64 N ANISOU 1420 N ASP A 191 3232 3192 2558 95 -413 105 N ATOM 1421 CA ASP A 191 -2.682 0.076 -21.902 1.00 22.66 C ANISOU 1421 CA ASP A 191 3126 3013 2468 82 -363 95 C ATOM 1422 C ASP A 191 -3.131 0.708 -20.623 1.00 23.56 C ANISOU 1422 C ASP A 191 3213 3079 2657 67 -305 29 C ATOM 1423 O ASP A 191 -4.322 1.069 -20.434 1.00 24.53 O ANISOU 1423 O ASP A 191 3292 3155 2871 94 -285 30 O ATOM 1424 CB ASP A 191 -2.665 1.213 -22.963 1.00 23.33 C ANISOU 1424 CB ASP A 191 3222 3050 2592 98 -350 198 C ATOM 1425 CG ASP A 191 -2.403 0.732 -24.398 1.00 25.48 C ANISOU 1425 CG ASP A 191 3524 3417 2737 60 -397 263 C ATOM 1426 OD1 ASP A 191 -1.769 -0.286 -24.670 1.00 24.33 O ANISOU 1426 OD1 ASP A 191 3390 3337 2515 10 -391 180 O ATOM 1427 OD2 ASP A 191 -2.818 1.434 -25.272 1.00 30.50 O ANISOU 1427 OD2 ASP A 191 4165 4062 3362 66 -428 401 O ATOM 0 H ASP A 191 -4.403 -0.587 -22.531 1.00 23.64 H new ATOM 0 HA ASP A 191 -1.805 -0.337 -21.879 1.00 22.66 H new ATOM 0 HB2 ASP A 191 -3.516 1.677 -22.939 1.00 23.33 H new ATOM 0 HB3 ASP A 191 -1.983 1.859 -22.720 1.00 23.33 H new ATOM 1428 N THR A 192 -2.202 0.940 -19.725 1.00 24.13 N ANISOU 1428 N THR A 192 3269 3243 2655 -249 -250 33 N ATOM 1429 CA THR A 192 -2.519 1.487 -18.435 1.00 22.77 C ANISOU 1429 CA THR A 192 3055 3058 2538 -227 -256 41 C ATOM 1430 C THR A 192 -2.112 2.932 -18.264 1.00 22.61 C ANISOU 1430 C THR A 192 2996 3028 2564 -179 -255 77 C ATOM 1431 O THR A 192 -0.994 3.231 -18.381 1.00 22.35 O ANISOU 1431 O THR A 192 2976 2966 2549 -159 -229 78 O ATOM 1432 CB THR A 192 -1.814 0.696 -17.352 1.00 22.33 C ANISOU 1432 CB THR A 192 3031 2949 2504 -216 -232 9 C ATOM 1433 OG1 THR A 192 -2.334 -0.615 -17.327 1.00 22.14 O ANISOU 1433 OG1 THR A 192 3061 2914 2436 -266 -233 -21 O ATOM 1434 CG2 THR A 192 -2.013 1.376 -16.015 1.00 20.80 C ANISOU 1434 CG2 THR A 192 2789 2745 2367 -188 -236 17 C ATOM 0 H THR A 192 -1.365 0.783 -19.848 1.00 24.13 H new ATOM 0 HA THR A 192 -3.485 1.433 -18.364 1.00 22.77 H new ATOM 0 HB THR A 192 -0.862 0.655 -17.536 1.00 22.33 H new ATOM 0 HG1 THR A 192 -1.776 -1.131 -16.970 1.00 22.14 H new ATOM 0 HG21 THR A 192 -1.561 0.868 -15.323 1.00 20.80 H new ATOM 0 HG22 THR A 192 -1.645 2.273 -16.050 1.00 20.80 H new ATOM 0 HG23 THR A 192 -2.961 1.423 -15.814 1.00 20.80 H new ATOM 1435 N HIS A 193 -3.043 3.797 -17.921 1.00 21.64 N ANISOU 1435 N HIS A 193 2829 2930 2461 -161 -280 100 N ATOM 1436 CA HIS A 193 -2.694 5.151 -17.531 1.00 22.17 C ANISOU 1436 CA HIS A 193 2878 2967 2575 -114 -280 127 C ATOM 1437 C HIS A 193 -2.235 5.161 -16.074 1.00 22.64 C ANISOU 1437 C HIS A 193 2927 2987 2685 -96 -264 101 C ATOM 1438 O HIS A 193 -2.920 4.537 -15.192 1.00 23.02 O ANISOU 1438 O HIS A 193 2959 3052 2735 -105 -269 77 O ATOM 1439 CB HIS A 193 -3.926 6.083 -17.607 1.00 22.68 C ANISOU 1439 CB HIS A 193 2906 3070 2639 -80 -316 157 C ATOM 1440 CG HIS A 193 -4.444 6.385 -18.991 1.00 25.80 C ANISOU 1440 CG HIS A 193 3306 3510 2984 -79 -342 193 C ATOM 1441 ND1 HIS A 193 -3.655 6.449 -20.118 1.00 24.35 N ANISOU 1441 ND1 HIS A 193 3166 3313 2771 -97 -328 214 N ATOM 1442 CD2 HIS A 193 -5.704 6.732 -19.391 1.00 27.88 C ANISOU 1442 CD2 HIS A 193 3533 3842 3216 -55 -382 213 C ATOM 1443 CE1 HIS A 193 -4.410 6.804 -21.159 1.00 27.00 C ANISOU 1443 CE1 HIS A 193 3499 3700 3058 -86 -360 248 C ATOM 1444 NE2 HIS A 193 -5.655 6.960 -20.744 1.00 25.42 N ANISOU 1444 NE2 HIS A 193 3248 3552 2856 -57 -396 247 N ATOM 0 H HIS A 193 -3.885 3.623 -17.906 1.00 21.64 H new ATOM 0 HA HIS A 193 -1.997 5.457 -18.133 1.00 22.17 H new ATOM 0 HB2 HIS A 193 -4.644 5.682 -17.093 1.00 22.68 H new ATOM 0 HB3 HIS A 193 -3.701 6.922 -17.175 1.00 22.68 H new ATOM 0 HD2 HIS A 193 -6.455 6.801 -18.847 1.00 27.88 H new ATOM 0 HE1 HIS A 193 -4.110 6.922 -22.031 1.00 27.00 H new ATOM 0 HE2 HIS A 193 -6.325 7.170 -21.240 1.00 25.42 H new ATOM 1445 N VAL A 194 -1.139 5.881 -15.797 1.00 22.08 N ANISOU 1445 N VAL A 194 2865 2871 2651 -78 -244 104 N ATOM 1446 CA VAL A 194 -0.636 6.061 -14.433 1.00 20.74 C ANISOU 1446 CA VAL A 194 2682 2670 2526 -58 -233 78 C ATOM 1447 C VAL A 194 -0.741 7.506 -14.032 1.00 20.09 C ANISOU 1447 C VAL A 194 2591 2557 2484 -27 -244 97 C ATOM 1448 O VAL A 194 -0.290 8.426 -14.770 1.00 21.74 O ANISOU 1448 O VAL A 194 2820 2741 2696 -31 -241 127 O ATOM 1449 CB VAL A 194 0.830 5.577 -14.276 1.00 21.93 C ANISOU 1449 CB VAL A 194 2847 2804 2682 -65 -204 53 C ATOM 1450 CG1 VAL A 194 1.316 5.777 -12.803 1.00 19.06 C ANISOU 1450 CG1 VAL A 194 2464 2417 2358 -41 -199 25 C ATOM 1451 CG2 VAL A 194 0.972 4.113 -14.708 1.00 22.57 C ANISOU 1451 CG2 VAL A 194 2956 2900 2718 -80 -194 32 C ATOM 0 H VAL A 194 -0.668 6.278 -16.398 1.00 22.08 H new ATOM 0 HA VAL A 194 -1.187 5.516 -13.850 1.00 20.74 H new ATOM 0 HB VAL A 194 1.393 6.113 -14.857 1.00 21.93 H new ATOM 0 HG11 VAL A 194 2.233 5.471 -12.720 1.00 19.06 H new ATOM 0 HG12 VAL A 194 1.268 6.718 -12.571 1.00 19.06 H new ATOM 0 HG13 VAL A 194 0.749 5.267 -12.203 1.00 19.06 H new ATOM 0 HG21 VAL A 194 1.894 3.832 -14.602 1.00 22.57 H new ATOM 0 HG22 VAL A 194 0.399 3.556 -14.158 1.00 22.57 H new ATOM 0 HG23 VAL A 194 0.712 4.023 -15.638 1.00 22.57 H new ATOM 1452 N PHE A 195 -1.394 7.722 -12.890 1.00 19.07 N ANISOU 1452 N PHE A 195 2437 2428 2378 1 -255 80 N ATOM 1453 CA PHE A 195 -1.559 8.990 -12.277 1.00 18.98 C ANISOU 1453 CA PHE A 195 2425 2382 2404 39 -265 84 C ATOM 1454 C PHE A 195 -0.939 8.937 -10.868 1.00 20.58 C ANISOU 1454 C PHE A 195 2618 2564 2638 46 -252 43 C ATOM 1455 O PHE A 195 -0.890 7.882 -10.294 1.00 21.90 O ANISOU 1455 O PHE A 195 2772 2756 2792 34 -244 19 O ATOM 1456 CB PHE A 195 -3.020 9.329 -12.083 1.00 20.56 C ANISOU 1456 CB PHE A 195 2597 2619 2595 84 -292 92 C ATOM 1457 CG PHE A 195 -3.835 9.361 -13.340 1.00 20.75 C ANISOU 1457 CG PHE A 195 2618 2684 2580 89 -314 129 C ATOM 1458 CD1 PHE A 195 -4.118 10.574 -13.974 1.00 24.05 C ANISOU 1458 CD1 PHE A 195 3062 3075 2999 135 -334 167 C ATOM 1459 CD2 PHE A 195 -4.420 8.206 -13.843 1.00 22.06 C ANISOU 1459 CD2 PHE A 195 2760 2917 2702 51 -318 124 C ATOM 1460 CE1 PHE A 195 -4.913 10.602 -15.127 1.00 25.86 C ANISOU 1460 CE1 PHE A 195 3287 3354 3184 149 -360 202 C ATOM 1461 CE2 PHE A 195 -5.196 8.247 -14.974 1.00 21.77 C ANISOU 1461 CE2 PHE A 195 2715 2932 2624 54 -344 153 C ATOM 1462 CZ PHE A 195 -5.404 9.439 -15.642 1.00 22.68 C ANISOU 1462 CZ PHE A 195 2849 3028 2737 106 -365 194 C ATOM 0 H PHE A 195 -1.764 7.086 -12.446 1.00 19.07 H new ATOM 0 HA PHE A 195 -1.140 9.651 -12.850 1.00 18.98 H new ATOM 0 HB2 PHE A 195 -3.411 8.681 -11.477 1.00 20.56 H new ATOM 0 HB3 PHE A 195 -3.083 10.195 -11.651 1.00 20.56 H new ATOM 0 HD1 PHE A 195 -3.777 11.367 -13.628 1.00 24.05 H new ATOM 0 HD2 PHE A 195 -4.284 7.395 -13.408 1.00 22.06 H new ATOM 0 HE1 PHE A 195 -5.106 11.412 -15.540 1.00 25.86 H new ATOM 0 HE2 PHE A 195 -5.586 7.466 -15.294 1.00 21.77 H new ATOM 0 HZ PHE A 195 -5.878 9.448 -16.442 1.00 22.68 H new ATOM 1463 N SER A 196 -0.578 10.076 -10.286 1.00 19.81 N ANISOU 1463 N SER A 196 2533 2418 2576 65 -254 35 N ATOM 1464 CA SER A 196 -0.046 10.098 -8.946 1.00 20.16 C ANISOU 1464 CA SER A 196 2564 2450 2643 72 -247 -6 C ATOM 1465 C SER A 196 -0.299 11.370 -8.209 1.00 21.62 C ANISOU 1465 C SER A 196 2764 2590 2859 108 -259 -19 C ATOM 1466 O SER A 196 -0.511 12.428 -8.810 1.00 22.05 O ANISOU 1466 O SER A 196 2856 2599 2923 122 -269 6 O ATOM 1467 CB SER A 196 1.466 9.818 -8.933 1.00 20.78 C ANISOU 1467 CB SER A 196 2645 2522 2727 31 -227 -24 C ATOM 1468 OG SER A 196 2.186 10.964 -9.351 1.00 21.58 O ANISOU 1468 OG SER A 196 2771 2576 2849 4 -222 -13 O ATOM 0 H SER A 196 -0.637 10.848 -10.660 1.00 19.81 H new ATOM 0 HA SER A 196 -0.525 9.391 -8.486 1.00 20.16 H new ATOM 0 HB2 SER A 196 1.745 9.562 -8.040 1.00 20.78 H new ATOM 0 HB3 SER A 196 1.667 9.071 -9.519 1.00 20.78 H new ATOM 0 HG SER A 196 2.829 10.729 -9.838 1.00 21.58 H new HETATM 1469 N MSE A 197 -0.261 11.254 -6.883 1.00 21.51 N ANISOU 1469 N MSE A 197 2731 2587 2854 127 -258 -60 N HETATM 1470 CA MSE A 197 -0.356 12.379 -5.964 1.00 20.33 C ANISOU 1470 CA MSE A 197 2600 2393 2731 160 -266 -90 C HETATM 1471 C MSE A 197 0.770 12.267 -4.937 1.00 21.42 C ANISOU 1471 C MSE A 197 2729 2528 2879 128 -256 -133 C HETATM 1472 O MSE A 197 0.860 11.287 -4.198 1.00 21.64 O ANISOU 1472 O MSE A 197 2725 2607 2887 123 -249 -150 O HETATM 1473 CB MSE A 197 -1.715 12.390 -5.264 1.00 22.77 C ANISOU 1473 CB MSE A 197 2881 2744 3028 223 -275 -103 C HETATM 1474 CG MSE A 197 -1.659 12.825 -3.808 1.00 26.16 C ANISOU 1474 CG MSE A 197 3317 3150 3472 260 -279 -150 C HETATM 1475 SE MSE A 197 -3.048 14.118 -3.356 0.80 35.66 SE ANISOU 1475 SE MSE A 197 4509 4372 4666 364 -293 -165 SE HETATM 1476 CE MSE A 197 -2.692 15.442 -4.742 1.00 18.68 C ANISOU 1476 CE MSE A 197 2444 2104 2547 330 -302 -128 C HETATM 0 H MSE A 197 -0.177 10.496 -6.485 1.00 21.51 H new HETATM 0 HA MSE A 197 -0.270 13.210 -6.458 1.00 20.33 H new HETATM 0 HB2 MSE A 197 -2.312 12.983 -5.746 1.00 22.77 H new HETATM 0 HB3 MSE A 197 -2.100 11.501 -5.311 1.00 22.77 H new HETATM 0 HG2 MSE A 197 -1.750 12.046 -3.238 1.00 26.16 H new HETATM 0 HG3 MSE A 197 -0.789 13.212 -3.623 1.00 26.16 H new HETATM 0 HE1 MSE A 197 -3.318 16.178 -4.655 1.00 18.68 H new HETATM 0 HE2 MSE A 197 -1.786 15.776 -4.646 1.00 18.68 H new HETATM 0 HE3 MSE A 197 -2.794 15.032 -5.615 1.00 18.68 H new ATOM 1477 N LEU A 198 1.628 13.280 -4.907 1.00 22.52 N ANISOU 1477 N LEU A 198 2901 2609 3044 103 -258 -149 N ATOM 1478 CA LEU A 198 2.801 13.290 -4.103 1.00 22.01 C ANISOU 1478 CA LEU A 198 2824 2552 2987 66 -253 -192 C ATOM 1479 C LEU A 198 2.474 13.905 -2.767 1.00 22.14 C ANISOU 1479 C LEU A 198 2848 2550 3011 103 -265 -240 C ATOM 1480 O LEU A 198 1.500 14.678 -2.632 1.00 22.82 O ANISOU 1480 O LEU A 198 2967 2596 3105 153 -275 -240 O ATOM 1481 CB LEU A 198 3.864 14.122 -4.772 1.00 22.98 C ANISOU 1481 CB LEU A 198 2975 2629 3126 -2 -246 -186 C ATOM 1482 CG LEU A 198 4.346 13.746 -6.164 1.00 21.05 C ANISOU 1482 CG LEU A 198 2727 2401 2869 -47 -229 -141 C ATOM 1483 CD1 LEU A 198 5.618 14.492 -6.498 1.00 27.70 C ANISOU 1483 CD1 LEU A 198 3581 3223 3721 -133 -216 -149 C ATOM 1484 CD2 LEU A 198 4.621 12.209 -6.224 1.00 19.36 C ANISOU 1484 CD2 LEU A 198 2456 2271 2626 -35 -220 -142 C ATOM 0 H LEU A 198 1.526 13.995 -5.374 1.00 22.52 H new ATOM 0 HA LEU A 198 3.121 12.382 -3.986 1.00 22.01 H new ATOM 0 HB2 LEU A 198 3.535 15.033 -4.815 1.00 22.98 H new ATOM 0 HB3 LEU A 198 4.639 14.127 -4.188 1.00 22.98 H new ATOM 0 HG LEU A 198 3.660 13.984 -6.807 1.00 21.05 H new ATOM 0 HD11 LEU A 198 5.915 14.244 -7.387 1.00 27.70 H new ATOM 0 HD12 LEU A 198 5.451 15.447 -6.468 1.00 27.70 H new ATOM 0 HD13 LEU A 198 6.306 14.265 -5.853 1.00 27.70 H new ATOM 0 HD21 LEU A 198 4.928 11.970 -7.112 1.00 19.36 H new ATOM 0 HD22 LEU A 198 5.301 11.976 -5.573 1.00 19.36 H new ATOM 0 HD23 LEU A 198 3.804 11.726 -6.024 1.00 19.36 H new ATOM 1485 N ASP A 199 3.319 13.624 -1.781 1.00 23.67 N ANISOU 1485 N ASP A 199 3016 2779 3199 85 -266 -285 N ATOM 1486 CA ASP A 199 3.100 14.150 -0.459 1.00 25.97 C ANISOU 1486 CA ASP A 199 3313 3061 3490 117 -278 -338 C ATOM 1487 C ASP A 199 3.050 15.684 -0.468 1.00 28.50 C ANISOU 1487 C ASP A 199 3701 3289 3839 108 -286 -358 C ATOM 1488 O ASP A 199 2.258 16.274 0.241 1.00 28.74 O ANISOU 1488 O ASP A 199 3757 3292 3869 166 -294 -385 O ATOM 1489 CB ASP A 199 4.085 13.595 0.591 1.00 25.79 C ANISOU 1489 CB ASP A 199 3252 3099 3448 99 -283 -383 C ATOM 1490 CG ASP A 199 5.566 13.730 0.255 1.00 28.31 C ANISOU 1490 CG ASP A 199 3551 3431 3773 26 -282 -397 C ATOM 1491 OD1 ASP A 199 5.926 14.201 -0.814 1.00 27.28 O ANISOU 1491 OD1 ASP A 199 3438 3263 3660 -23 -273 -370 O ATOM 1492 OD2 ASP A 199 6.401 13.313 1.123 1.00 32.28 O ANISOU 1492 OD2 ASP A 199 4014 3996 4255 21 -292 -437 O ATOM 0 H ASP A 199 4.020 13.132 -1.864 1.00 23.67 H new ATOM 0 HA ASP A 199 2.227 13.834 -0.178 1.00 25.97 H new ATOM 0 HB2 ASP A 199 3.920 14.047 1.434 1.00 25.79 H new ATOM 0 HB3 ASP A 199 3.887 12.655 0.729 1.00 25.79 H new ATOM 1493 N GLY A 200 3.921 16.324 -1.211 1.00 29.17 N ANISOU 1493 N GLY A 200 3816 3323 3941 36 -282 -347 N ATOM 1494 CA GLY A 200 3.906 17.774 -1.257 1.00 31.33 C ANISOU 1494 CA GLY A 200 4175 3489 4237 18 -290 -362 C ATOM 1495 C GLY A 200 2.695 18.354 -1.936 1.00 31.59 C ANISOU 1495 C GLY A 200 4269 3457 4277 88 -295 -320 C ATOM 1496 O GLY A 200 2.312 19.484 -1.618 1.00 31.78 O ANISOU 1496 O GLY A 200 4371 3390 4312 120 -306 -342 O ATOM 0 H GLY A 200 4.525 15.948 -1.694 1.00 29.17 H new ATOM 0 HA2 GLY A 200 3.952 18.117 -0.351 1.00 31.33 H new ATOM 0 HA3 GLY A 200 4.702 18.082 -1.718 1.00 31.33 H new ATOM 1497 N GLU A 201 2.069 17.596 -2.813 1.00 29.68 N ANISOU 1497 N GLU A 201 3993 3260 4024 119 -290 -264 N ATOM 1498 CA GLU A 201 0.851 18.055 -3.484 1.00 31.17 C ANISOU 1498 CA GLU A 201 4222 3410 4210 196 -300 -223 C ATOM 1499 C GLU A 201 -0.335 17.984 -2.557 1.00 30.83 C ANISOU 1499 C GLU A 201 4152 3406 4154 299 -309 -254 C ATOM 1500 O GLU A 201 -1.196 18.888 -2.559 1.00 31.10 O ANISOU 1500 O GLU A 201 4239 3385 4190 380 -323 -255 O ATOM 1501 CB GLU A 201 0.591 17.223 -4.748 1.00 30.73 C ANISOU 1501 CB GLU A 201 4130 3405 4138 186 -293 -158 C ATOM 1502 CG GLU A 201 1.525 17.599 -5.799 1.00 31.79 C ANISOU 1502 CG GLU A 201 4308 3490 4278 104 -283 -122 C ATOM 1503 CD GLU A 201 1.637 16.587 -6.934 1.00 32.70 C ANISOU 1503 CD GLU A 201 4378 3672 4372 74 -271 -73 C ATOM 1504 OE1 GLU A 201 1.103 15.427 -6.938 1.00 24.98 O ANISOU 1504 OE1 GLU A 201 3335 2779 3375 103 -270 -68 O ATOM 1505 OE2 GLU A 201 2.302 17.007 -7.859 1.00 35.77 O ANISOU 1505 OE2 GLU A 201 4808 4022 4760 11 -260 -39 O ATOM 0 H GLU A 201 2.327 16.808 -3.041 1.00 29.68 H new ATOM 0 HA GLU A 201 0.979 18.982 -3.741 1.00 31.17 H new ATOM 0 HB2 GLU A 201 0.684 16.279 -4.546 1.00 30.73 H new ATOM 0 HB3 GLU A 201 -0.320 17.360 -5.052 1.00 30.73 H new ATOM 0 HG2 GLU A 201 1.253 18.454 -6.168 1.00 31.79 H new ATOM 0 HG3 GLU A 201 2.403 17.726 -5.406 1.00 31.79 H new ATOM 1506 N TRP A 202 -0.316 16.957 -1.717 1.00 30.58 N ANISOU 1506 N TRP A 202 4045 3466 4106 296 -301 -282 N ATOM 1507 CA TRP A 202 -1.350 16.702 -0.743 1.00 32.39 C ANISOU 1507 CA TRP A 202 4234 3757 4315 375 -302 -312 C ATOM 1508 C TRP A 202 -1.349 17.870 0.204 1.00 36.04 C ANISOU 1508 C TRP A 202 4754 4152 4786 416 -312 -371 C ATOM 1509 O TRP A 202 -2.397 18.411 0.474 1.00 35.85 O ANISOU 1509 O TRP A 202 4743 4125 4754 509 -318 -385 O ATOM 1510 CB TRP A 202 -1.105 15.398 0.023 1.00 31.68 C ANISOU 1510 CB TRP A 202 4073 3763 4200 346 -290 -328 C ATOM 1511 CG TRP A 202 -2.044 15.180 1.139 1.00 30.06 C ANISOU 1511 CG TRP A 202 3831 3623 3967 409 -285 -362 C ATOM 1512 CD1 TRP A 202 -1.778 15.251 2.452 1.00 34.37 C ANISOU 1512 CD1 TRP A 202 4372 4187 4498 419 -283 -417 C ATOM 1513 CD2 TRP A 202 -3.465 14.886 1.023 1.00 31.11 C ANISOU 1513 CD2 TRP A 202 3920 3826 4074 471 -281 -344 C ATOM 1514 NE1 TRP A 202 -2.933 15.027 3.180 1.00 32.74 N ANISOU 1514 NE1 TRP A 202 4126 4054 4258 483 -274 -433 N ATOM 1515 CE2 TRP A 202 -3.972 14.788 2.322 1.00 34.52 C ANISOU 1515 CE2 TRP A 202 4322 4317 4476 512 -271 -390 C ATOM 1516 CE3 TRP A 202 -4.341 14.726 -0.058 1.00 34.67 C ANISOU 1516 CE3 TRP A 202 4350 4305 4519 493 -285 -295 C ATOM 1517 CZ2 TRP A 202 -5.324 14.520 2.583 1.00 35.32 C ANISOU 1517 CZ2 TRP A 202 4364 4511 4542 569 -260 -389 C ATOM 1518 CZ3 TRP A 202 -5.699 14.474 0.207 1.00 34.20 C ANISOU 1518 CZ3 TRP A 202 4229 4340 4425 552 -280 -298 C ATOM 1519 CH2 TRP A 202 -6.153 14.351 1.510 1.00 32.37 C ANISOU 1519 CH2 TRP A 202 3962 4172 4165 585 -265 -344 C ATOM 0 H TRP A 202 0.319 16.377 -1.702 1.00 30.58 H new ATOM 0 HA TRP A 202 -2.206 16.602 -1.187 1.00 32.39 H new ATOM 0 HB2 TRP A 202 -1.170 14.653 -0.594 1.00 31.68 H new ATOM 0 HB3 TRP A 202 -0.199 15.401 0.369 1.00 31.68 H new ATOM 0 HD1 TRP A 202 -0.941 15.425 2.819 1.00 34.37 H new ATOM 0 HE1 TRP A 202 -2.989 15.036 4.038 1.00 32.74 H new ATOM 0 HE3 TRP A 202 -4.031 14.785 -0.933 1.00 34.67 H new ATOM 0 HZ2 TRP A 202 -5.644 14.460 3.454 1.00 35.32 H new ATOM 0 HZ3 TRP A 202 -6.298 14.389 -0.499 1.00 34.20 H new ATOM 0 HH2 TRP A 202 -7.048 14.147 1.659 1.00 32.37 H new ATOM 1520 N ASP A 203 -0.168 18.256 0.682 1.00 38.15 N ANISOU 1520 N ASP A 203 5054 4372 5068 346 -313 -410 N ATOM 1521 CA ASP A 203 -0.066 19.461 1.545 1.00 41.74 C ANISOU 1521 CA ASP A 203 5581 4745 5531 371 -324 -473 C ATOM 1522 C ASP A 203 -0.776 20.685 0.992 1.00 43.63 C ANISOU 1522 C ASP A 203 5917 4877 5784 439 -335 -461 C ATOM 1523 O ASP A 203 -1.486 21.373 1.742 1.00 43.54 O ANISOU 1523 O ASP A 203 5943 4838 5763 530 -343 -507 O ATOM 1524 CB ASP A 203 1.385 19.789 1.824 1.00 42.34 C ANISOU 1524 CB ASP A 203 5685 4781 5621 262 -326 -509 C ATOM 1525 CG ASP A 203 2.055 18.752 2.723 1.00 46.21 C ANISOU 1525 CG ASP A 203 6088 5379 6088 225 -322 -540 C ATOM 1526 OD1 ASP A 203 1.344 18.005 3.456 1.00 50.33 O ANISOU 1526 OD1 ASP A 203 6556 5984 6583 288 -318 -550 O ATOM 1527 OD2 ASP A 203 3.303 18.661 2.676 1.00 48.04 O ANISOU 1527 OD2 ASP A 203 6307 5620 6326 132 -324 -553 O ATOM 0 H ASP A 203 0.576 17.853 0.530 1.00 38.15 H new ATOM 0 HA ASP A 203 -0.524 19.232 2.369 1.00 41.74 H new ATOM 0 HB2 ASP A 203 1.868 19.846 0.985 1.00 42.34 H new ATOM 0 HB3 ASP A 203 1.442 20.662 2.244 1.00 42.34 H new ATOM 1528 N ALA A 204 -0.643 20.940 -0.313 1.00 44.55 N ANISOU 1528 N ALA A 204 6076 4934 5914 409 -337 -397 N ATOM 1529 CA ALA A 204 -1.292 22.107 -0.947 1.00 46.91 C ANISOU 1529 CA ALA A 204 6481 5120 6220 482 -352 -373 C ATOM 1530 C ALA A 204 -2.789 21.935 -1.312 1.00 47.61 C ANISOU 1530 C ALA A 204 6533 5269 6287 618 -361 -342 C ATOM 1531 O ALA A 204 -3.391 20.846 -1.175 1.00 47.01 O ANISOU 1531 O ALA A 204 6343 5328 6191 641 -354 -333 O ATOM 1532 CB ALA A 204 -0.455 22.572 -2.204 1.00 47.85 C ANISOU 1532 CB ALA A 204 6679 5145 6355 385 -349 -315 C ATOM 0 H ALA A 204 -0.183 20.453 -0.852 1.00 44.55 H new ATOM 0 HA ALA A 204 -1.296 22.795 -0.263 1.00 46.91 H new ATOM 0 HB1 ALA A 204 -0.886 23.338 -2.615 1.00 47.85 H new ATOM 0 HB2 ALA A 204 0.441 22.818 -1.924 1.00 47.85 H new ATOM 0 HB3 ALA A 204 -0.405 21.847 -2.846 1.00 47.85 H new TER 1533 ALA A 204 ATOM 1534 N ALA B 18 -4.747 -13.178 -29.853 1.00 48.07 N ANISOU 1534 N ALA B 18 4729 6426 7109 768 -1431 -132 N ATOM 1535 CA ALA B 18 -6.058 -13.730 -30.368 1.00 50.16 C ANISOU 1535 CA ALA B 18 4904 6744 7410 790 -1462 -289 C ATOM 1536 C ALA B 18 -6.144 -15.248 -30.018 1.00 46.89 C ANISOU 1536 C ALA B 18 4605 6542 6667 723 -1155 -434 C ATOM 1537 O ALA B 18 -5.504 -16.088 -30.691 1.00 45.46 O ANISOU 1537 O ALA B 18 4576 6515 6181 681 -1084 -245 O ATOM 1538 CB ALA B 18 -6.182 -13.456 -31.865 1.00 52.13 C ANISOU 1538 CB ALA B 18 5168 6995 7641 791 -1731 8 C ATOM 0 HA ALA B 18 -6.809 -13.289 -29.941 1.00 50.16 H new ATOM 0 HB1 ALA B 18 -7.024 -13.812 -32.191 1.00 52.13 H new ATOM 0 HB2 ALA B 18 -6.153 -12.499 -32.023 1.00 52.13 H new ATOM 0 HB3 ALA B 18 -5.448 -13.883 -32.334 1.00 52.13 H new ATOM 1539 N GLY B 19 -6.847 -15.579 -28.918 1.00 44.75 N ANISOU 1539 N GLY B 19 4258 6283 6461 690 -981 -776 N ATOM 1540 CA GLY B 19 -6.546 -16.813 -28.151 1.00 42.68 C ANISOU 1540 CA GLY B 19 4147 6168 5899 580 -702 -870 C ATOM 1541 C GLY B 19 -5.213 -16.766 -27.379 1.00 41.13 C ANISOU 1541 C GLY B 19 4097 5962 5569 536 -605 -751 C ATOM 1542 O GLY B 19 -4.625 -17.808 -27.016 1.00 39.29 O ANISOU 1542 O GLY B 19 4036 5820 5070 458 -452 -713 O ATOM 0 H GLY B 19 -7.495 -15.110 -28.601 1.00 44.75 H new ATOM 0 HA2 GLY B 19 -7.267 -16.975 -27.523 1.00 42.68 H new ATOM 0 HA3 GLY B 19 -6.528 -17.566 -28.762 1.00 42.68 H new ATOM 1543 N TRP B 20 -4.746 -15.540 -27.129 1.00 41.25 N ANISOU 1543 N TRP B 20 4034 5841 5797 591 -724 -698 N ATOM 1544 CA TRP B 20 -3.549 -15.245 -26.284 1.00 38.11 C ANISOU 1544 CA TRP B 20 3730 5410 5336 560 -651 -625 C ATOM 1545 C TRP B 20 -3.582 -16.008 -25.041 1.00 37.59 C ANISOU 1545 C TRP B 20 3740 5432 5109 435 -432 -827 C ATOM 1546 O TRP B 20 -4.540 -15.902 -24.271 1.00 36.73 O ANISOU 1546 O TRP B 20 3501 5348 5106 365 -352 -1130 O ATOM 1547 CB TRP B 20 -3.560 -13.795 -25.786 1.00 40.42 C ANISOU 1547 CB TRP B 20 3854 5535 5969 616 -778 -711 C ATOM 1548 CG TRP B 20 -2.435 -13.538 -24.702 1.00 38.77 C ANISOU 1548 CG TRP B 20 3726 5311 5691 568 -670 -703 C ATOM 1549 CD1 TRP B 20 -2.593 -13.402 -23.352 1.00 40.43 C ANISOU 1549 CD1 TRP B 20 3876 5543 5940 485 -530 -979 C ATOM 1550 CD2 TRP B 20 -1.069 -13.405 -24.955 1.00 34.39 C ANISOU 1550 CD2 TRP B 20 3311 4740 5014 586 -701 -423 C ATOM 1551 NE1 TRP B 20 -1.401 -13.170 -22.750 1.00 41.63 N ANISOU 1551 NE1 TRP B 20 4131 5675 6009 464 -489 -867 N ATOM 1552 CE2 TRP B 20 -0.432 -13.178 -23.714 1.00 38.36 C ANISOU 1552 CE2 TRP B 20 3840 5230 5505 534 -591 -530 C ATOM 1553 CE3 TRP B 20 -0.307 -13.459 -26.114 1.00 36.77 C ANISOU 1553 CE3 TRP B 20 3706 5066 5198 618 -803 -110 C ATOM 1554 CZ2 TRP B 20 0.905 -13.023 -23.602 1.00 33.70 C ANISOU 1554 CZ2 TRP B 20 3365 4622 4816 540 -590 -337 C ATOM 1555 CZ3 TRP B 20 1.043 -13.307 -26.010 1.00 37.34 C ANISOU 1555 CZ3 TRP B 20 3882 5144 5161 607 -785 63 C ATOM 1556 CH2 TRP B 20 1.646 -13.091 -24.758 1.00 36.31 C ANISOU 1556 CH2 TRP B 20 3776 4972 5048 582 -685 -48 C ATOM 0 H TRP B 20 -5.116 -14.832 -27.447 1.00 41.25 H new ATOM 0 HA TRP B 20 -2.786 -15.452 -26.846 1.00 38.11 H new ATOM 0 HB2 TRP B 20 -3.430 -13.194 -26.536 1.00 40.42 H new ATOM 0 HB3 TRP B 20 -4.429 -13.590 -25.406 1.00 40.42 H new ATOM 0 HD1 TRP B 20 -3.407 -13.461 -22.907 1.00 40.43 H new ATOM 0 HE1 TRP B 20 -1.276 -13.040 -21.909 1.00 41.63 H new ATOM 0 HE3 TRP B 20 -0.708 -13.596 -26.942 1.00 36.77 H new ATOM 0 HZ2 TRP B 20 1.308 -12.876 -22.777 1.00 33.70 H new ATOM 0 HZ3 TRP B 20 1.571 -13.346 -26.775 1.00 37.34 H new ATOM 0 HH2 TRP B 20 2.569 -12.992 -24.711 1.00 36.31 H new ATOM 1557 N ARG B 21 -2.493 -16.697 -24.755 1.00 35.81 N ANISOU 1557 N ARG B 21 3711 5253 4640 386 -348 -676 N ATOM 1558 CA ARG B 21 -2.393 -17.378 -23.508 1.00 37.43 C ANISOU 1558 CA ARG B 21 4021 5519 4678 234 -186 -814 C ATOM 1559 C ARG B 21 -1.267 -16.776 -22.664 1.00 35.90 C ANISOU 1559 C ARG B 21 3879 5268 4490 222 -178 -754 C ATOM 1560 O ARG B 21 -1.492 -16.415 -21.494 1.00 35.73 O ANISOU 1560 O ARG B 21 3802 5267 4504 113 -92 -959 O ATOM 1561 CB ARG B 21 -2.141 -18.847 -23.813 1.00 38.34 C ANISOU 1561 CB ARG B 21 4331 5708 4528 178 -135 -707 C ATOM 1562 CG ARG B 21 -2.438 -19.795 -22.733 1.00 43.47 C ANISOU 1562 CG ARG B 21 5101 6420 4994 -21 -9 -835 C ATOM 1563 CD ARG B 21 -3.915 -20.040 -22.600 1.00 47.71 C ANISOU 1563 CD ARG B 21 5525 7045 5556 -127 74 -1080 C ATOM 1564 NE ARG B 21 -4.062 -20.708 -21.331 1.00 49.52 N ANISOU 1564 NE ARG B 21 5872 7353 5588 -384 197 -1195 N ATOM 1565 CZ ARG B 21 -4.267 -22.011 -21.170 1.00 48.87 C ANISOU 1565 CZ ARG B 21 5962 7312 5292 -543 233 -1158 C ATOM 1566 NH1 ARG B 21 -4.343 -22.475 -19.925 1.00 44.61 N ANISOU 1566 NH1 ARG B 21 5543 6847 4560 -823 318 -1231 N ATOM 1567 NH2 ARG B 21 -4.429 -22.822 -22.242 1.00 39.09 N ANISOU 1567 NH2 ARG B 21 4768 6049 4033 -444 173 -1057 N ATOM 0 H ARG B 21 -1.811 -16.776 -25.273 1.00 35.81 H new ATOM 0 HA ARG B 21 -3.210 -17.285 -22.993 1.00 37.43 H new ATOM 0 HB2 ARG B 21 -2.671 -19.092 -24.588 1.00 38.34 H new ATOM 0 HB3 ARG B 21 -1.209 -18.951 -24.062 1.00 38.34 H new ATOM 0 HG2 ARG B 21 -1.984 -20.635 -22.905 1.00 43.47 H new ATOM 0 HG3 ARG B 21 -2.090 -19.451 -21.895 1.00 43.47 H new ATOM 0 HD2 ARG B 21 -4.413 -19.208 -22.620 1.00 47.71 H new ATOM 0 HD3 ARG B 21 -4.248 -20.588 -23.328 1.00 47.71 H new ATOM 0 HE ARG B 21 -4.013 -20.225 -20.621 1.00 49.52 H new ATOM 0 HH11 ARG B 21 -4.260 -21.936 -19.260 1.00 44.61 H new ATOM 0 HH12 ARG B 21 -4.475 -23.313 -19.786 1.00 44.61 H new ATOM 0 HH21 ARG B 21 -4.400 -22.495 -23.037 1.00 39.09 H new ATOM 0 HH22 ARG B 21 -4.561 -23.664 -22.128 1.00 39.09 H new ATOM 1568 N SER B 22 -0.060 -16.711 -23.232 1.00 32.93 N ANISOU 1568 N SER B 22 3600 4849 4063 313 -256 -503 N ATOM 1569 CA SER B 22 1.160 -16.436 -22.437 1.00 33.23 C ANISOU 1569 CA SER B 22 3726 4845 4054 293 -240 -431 C ATOM 1570 C SER B 22 2.387 -16.368 -23.294 1.00 32.74 C ANISOU 1570 C SER B 22 3727 4761 3950 395 -326 -184 C ATOM 1571 O SER B 22 2.433 -16.943 -24.408 1.00 33.18 O ANISOU 1571 O SER B 22 3810 4876 3919 441 -366 -71 O ATOM 1572 CB SER B 22 1.460 -17.521 -21.416 1.00 31.63 C ANISOU 1572 CB SER B 22 3704 4693 3620 145 -144 -476 C ATOM 1573 OG SER B 22 1.787 -18.721 -22.095 1.00 33.45 O ANISOU 1573 OG SER B 22 4073 4946 3690 164 -172 -349 O ATOM 0 H SER B 22 0.081 -16.822 -24.073 1.00 32.93 H new ATOM 0 HA SER B 22 0.969 -15.589 -22.004 1.00 33.23 H new ATOM 0 HB2 SER B 22 2.195 -17.249 -20.845 1.00 31.63 H new ATOM 0 HB3 SER B 22 0.691 -17.661 -20.841 1.00 31.63 H new ATOM 0 HG SER B 22 1.955 -19.324 -21.534 1.00 33.45 H new ATOM 1574 N ALA B 23 3.385 -15.664 -22.759 1.00 31.02 N ANISOU 1574 N ALA B 23 3519 4483 3785 411 -345 -129 N ATOM 1575 CA ALA B 23 4.721 -15.705 -23.284 1.00 31.06 C ANISOU 1575 CA ALA B 23 3591 4493 3716 468 -394 57 C ATOM 1576 C ALA B 23 5.529 -16.825 -22.589 1.00 31.57 C ANISOU 1576 C ALA B 23 3825 4575 3595 420 -347 44 C ATOM 1577 O ALA B 23 5.141 -17.378 -21.537 1.00 28.80 O ANISOU 1577 O ALA B 23 3559 4216 3168 314 -290 -70 O ATOM 1578 CB ALA B 23 5.397 -14.309 -23.083 1.00 30.66 C ANISOU 1578 CB ALA B 23 3451 4352 3844 507 -456 124 C ATOM 0 H ALA B 23 3.292 -15.149 -22.076 1.00 31.02 H new ATOM 0 HA ALA B 23 4.696 -15.903 -24.233 1.00 31.06 H new ATOM 0 HB1 ALA B 23 6.300 -14.333 -23.436 1.00 30.66 H new ATOM 0 HB2 ALA B 23 4.885 -13.631 -23.551 1.00 30.66 H new ATOM 0 HB3 ALA B 23 5.426 -14.097 -22.137 1.00 30.66 H new ATOM 1579 N GLY B 24 6.674 -17.149 -23.204 1.00 31.92 N ANISOU 1579 N GLY B 24 3910 4647 3571 479 -391 157 N ATOM 1580 CA GLY B 24 7.516 -18.267 -22.773 1.00 31.70 C ANISOU 1580 CA GLY B 24 4017 4603 3423 467 -408 141 C ATOM 1581 C GLY B 24 8.330 -18.050 -21.500 1.00 31.48 C ANISOU 1581 C GLY B 24 4071 4490 3400 428 -421 124 C ATOM 1582 O GLY B 24 8.326 -16.952 -20.918 1.00 31.08 O ANISOU 1582 O GLY B 24 3958 4408 3443 412 -392 111 O ATOM 0 H GLY B 24 6.982 -16.723 -23.885 1.00 31.92 H new ATOM 0 HA2 GLY B 24 6.949 -19.043 -22.643 1.00 31.70 H new ATOM 0 HA3 GLY B 24 8.129 -18.482 -23.493 1.00 31.70 H new ATOM 1583 N LYS B 25 9.040 -19.084 -21.050 1.00 32.32 N ANISOU 1583 N LYS B 25 4309 4545 3424 412 -488 117 N ATOM 1584 CA LYS B 25 9.714 -19.002 -19.743 1.00 32.96 C ANISOU 1584 CA LYS B 25 4495 4543 3486 345 -528 110 C ATOM 1585 C LYS B 25 11.135 -18.577 -19.999 1.00 33.31 C ANISOU 1585 C LYS B 25 4486 4567 3601 457 -582 151 C ATOM 1586 O LYS B 25 11.702 -18.911 -21.043 1.00 35.87 O ANISOU 1586 O LYS B 25 4743 4941 3944 553 -613 157 O ATOM 1587 CB LYS B 25 9.682 -20.355 -19.054 1.00 35.04 C ANISOU 1587 CB LYS B 25 4947 4727 3637 242 -627 104 C ATOM 0 H LYS B 25 9.146 -19.827 -21.470 1.00 32.32 H new ATOM 0 HA LYS B 25 9.268 -18.365 -19.164 1.00 32.96 H new ATOM 1588 N ALA B 26 11.749 -17.917 -19.030 1.00 34.26 N ANISOU 1588 N ALA B 26 4628 4637 3750 428 -590 151 N ATOM 1589 CA ALA B 26 13.098 -17.457 -19.191 1.00 34.55 C ANISOU 1589 CA ALA B 26 4607 4659 3861 522 -634 174 C ATOM 1590 C ALA B 26 13.979 -18.672 -19.416 1.00 35.58 C ANISOU 1590 C ALA B 26 4801 4742 3976 583 -765 141 C ATOM 1591 O ALA B 26 13.732 -19.718 -18.860 1.00 35.60 O ANISOU 1591 O ALA B 26 4948 4657 3922 523 -864 129 O ATOM 1592 CB ALA B 26 13.515 -16.693 -17.912 1.00 37.02 C ANISOU 1592 CB ALA B 26 4952 4914 4197 463 -632 160 C ATOM 0 H ALA B 26 11.393 -17.729 -18.270 1.00 34.26 H new ATOM 0 HA ALA B 26 13.185 -16.856 -19.948 1.00 34.55 H new ATOM 0 HB1 ALA B 26 14.427 -16.376 -18.007 1.00 37.02 H new ATOM 0 HB2 ALA B 26 12.922 -15.937 -17.779 1.00 37.02 H new ATOM 0 HB3 ALA B 26 13.458 -17.287 -17.147 1.00 37.02 H new ATOM 1593 N PRO B 27 15.038 -18.540 -20.212 1.00 36.53 N ANISOU 1593 N PRO B 27 4802 4915 4159 687 -784 110 N ATOM 1594 CA PRO B 27 15.938 -19.681 -20.456 1.00 36.80 C ANISOU 1594 CA PRO B 27 4843 4901 4235 766 -926 8 C ATOM 1595 C PRO B 27 16.616 -20.231 -19.185 1.00 38.39 C ANISOU 1595 C PRO B 27 5194 4916 4474 751 -1106 -5 C ATOM 1596 O PRO B 27 16.994 -19.458 -18.288 1.00 34.32 O ANISOU 1596 O PRO B 27 4716 4364 3960 712 -1097 39 O ATOM 1597 CB PRO B 27 17.007 -19.107 -21.415 1.00 38.52 C ANISOU 1597 CB PRO B 27 4867 5262 4508 843 -874 -56 C ATOM 1598 CG PRO B 27 16.650 -17.696 -21.753 1.00 38.48 C ANISOU 1598 CG PRO B 27 4781 5363 4478 789 -727 64 C ATOM 1599 CD PRO B 27 15.301 -17.381 -21.100 1.00 36.95 C ANISOU 1599 CD PRO B 27 4690 5097 4251 715 -680 155 C ATOM 0 HA PRO B 27 15.441 -20.435 -20.810 1.00 36.80 H new ATOM 0 HB2 PRO B 27 17.883 -19.141 -20.999 1.00 38.52 H new ATOM 0 HB3 PRO B 27 17.055 -19.643 -22.222 1.00 38.52 H new ATOM 0 HG2 PRO B 27 17.333 -17.087 -21.432 1.00 38.48 H new ATOM 0 HG3 PRO B 27 16.597 -17.581 -22.715 1.00 38.48 H new ATOM 0 HD2 PRO B 27 15.337 -16.552 -20.597 1.00 36.95 H new ATOM 0 HD3 PRO B 27 14.602 -17.280 -21.765 1.00 36.95 H new ATOM 1600 N GLU B 28 16.752 -21.563 -19.121 1.00 40.52 N ANISOU 1600 N GLU B 28 5492 3746 6158 97 -1603 -115 N ATOM 1601 CA GLU B 28 17.463 -22.211 -18.044 1.00 42.03 C ANISOU 1601 CA GLU B 28 5722 3936 6310 109 -1520 -24 C ATOM 1602 C GLU B 28 18.809 -22.760 -18.528 1.00 42.63 C ANISOU 1602 C GLU B 28 5939 4035 6220 326 -1538 -57 C ATOM 1603 O GLU B 28 19.522 -23.389 -17.773 1.00 44.67 O ANISOU 1603 O GLU B 28 6248 4293 6430 385 -1497 9 O ATOM 1604 CB GLU B 28 16.560 -23.236 -17.387 1.00 43.39 C ANISOU 1604 CB GLU B 28 5926 3913 6646 -39 -1563 33 C ATOM 1605 CG GLU B 28 15.373 -22.518 -16.761 1.00 45.21 C ANISOU 1605 CG GLU B 28 5965 4179 7032 -230 -1481 92 C ATOM 1606 CD GLU B 28 14.383 -23.398 -16.032 1.00 51.57 C ANISOU 1606 CD GLU B 28 6755 4811 8027 -410 -1478 175 C ATOM 1607 OE1 GLU B 28 14.430 -24.632 -16.239 1.00 57.14 O ANISOU 1607 OE1 GLU B 28 7621 5323 8764 -415 -1591 161 O ATOM 1608 OE2 GLU B 28 13.544 -22.829 -15.261 1.00 55.05 O ANISOU 1608 OE2 GLU B 28 7031 5303 8582 -545 -1348 257 O ATOM 0 H GLU B 28 16.430 -22.104 -19.707 1.00 40.52 H new ATOM 0 HA GLU B 28 17.693 -21.568 -17.355 1.00 42.03 H new ATOM 0 HB2 GLU B 28 16.254 -23.882 -18.042 1.00 43.39 H new ATOM 0 HB3 GLU B 28 17.049 -23.729 -16.710 1.00 43.39 H new ATOM 0 HG2 GLU B 28 15.709 -21.854 -16.139 1.00 45.21 H new ATOM 0 HG3 GLU B 28 14.901 -22.039 -17.460 1.00 45.21 H new ATOM 1609 N ALA B 29 19.161 -22.467 -19.779 1.00 42.65 N ANISOU 1609 N ALA B 29 6005 4068 6131 463 -1587 -152 N ATOM 1610 CA ALA B 29 20.482 -22.788 -20.301 1.00 42.99 C ANISOU 1610 CA ALA B 29 6147 4174 6011 693 -1557 -173 C ATOM 1611 C ALA B 29 21.095 -21.515 -20.808 1.00 40.78 C ANISOU 1611 C ALA B 29 5760 4106 5627 749 -1449 -192 C ATOM 1612 O ALA B 29 20.394 -20.516 -21.005 1.00 39.35 O ANISOU 1612 O ALA B 29 5496 3970 5484 636 -1437 -215 O ATOM 1613 CB ALA B 29 20.405 -23.842 -21.420 1.00 45.24 C ANISOU 1613 CB ALA B 29 6680 4251 6255 836 -1701 -266 C ATOM 0 H ALA B 29 18.642 -22.079 -20.344 1.00 42.65 H new ATOM 0 HA ALA B 29 21.029 -23.170 -19.597 1.00 42.99 H new ATOM 0 HB1 ALA B 29 21.298 -24.034 -21.746 1.00 45.24 H new ATOM 0 HB2 ALA B 29 20.007 -24.655 -21.072 1.00 45.24 H new ATOM 0 HB3 ALA B 29 19.862 -23.502 -22.148 1.00 45.24 H new ATOM 1614 N ALA B 30 22.406 -21.532 -21.001 1.00 40.09 N ANISOU 1614 N ALA B 30 5668 4150 5413 925 -1363 -173 N ATOM 1615 CA ALA B 30 23.147 -20.364 -21.500 1.00 39.98 C ANISOU 1615 CA ALA B 30 5550 4339 5299 971 -1238 -176 C ATOM 1616 C ALA B 30 22.475 -19.789 -22.712 1.00 39.54 C ANISOU 1616 C ALA B 30 5592 4219 5212 981 -1277 -270 C ATOM 1617 O ALA B 30 21.953 -20.558 -23.518 1.00 39.78 O ANISOU 1617 O ALA B 30 5811 4063 5239 1063 -1406 -348 O ATOM 1618 CB ALA B 30 24.559 -20.789 -21.899 1.00 42.68 C ANISOU 1618 CB ALA B 30 5904 4785 5524 1204 -1158 -155 C ATOM 0 H ALA B 30 22.899 -22.220 -20.848 1.00 40.09 H new ATOM 0 HA ALA B 30 23.174 -19.698 -20.795 1.00 39.98 H new ATOM 0 HB1 ALA B 30 25.048 -20.019 -22.228 1.00 42.68 H new ATOM 0 HB2 ALA B 30 25.017 -21.156 -21.127 1.00 42.68 H new ATOM 0 HB3 ALA B 30 24.510 -21.462 -22.596 1.00 42.68 H new ATOM 1619 N ILE B 31 22.538 -18.463 -22.845 1.00 38.98 N ANISOU 1619 N ILE B 31 5419 4289 5102 906 -1178 -263 N ATOM 1620 CA ILE B 31 22.125 -17.719 -24.033 1.00 39.42 C ANISOU 1620 CA ILE B 31 5575 4315 5085 947 -1186 -340 C ATOM 1621 C ILE B 31 23.409 -17.301 -24.725 1.00 41.73 C ANISOU 1621 C ILE B 31 5878 4750 5227 1099 -1028 -326 C ATOM 1622 O ILE B 31 24.200 -16.475 -24.180 1.00 40.87 O ANISOU 1622 O ILE B 31 5599 4831 5097 1024 -884 -252 O ATOM 1623 CB ILE B 31 21.271 -16.493 -23.697 1.00 39.02 C ANISOU 1623 CB ILE B 31 5431 4307 5087 769 -1169 -333 C ATOM 1624 CG1 ILE B 31 20.132 -16.880 -22.735 1.00 36.59 C ANISOU 1624 CG1 ILE B 31 5046 3904 4950 609 -1267 -310 C ATOM 1625 CG2 ILE B 31 20.697 -15.800 -25.016 1.00 38.79 C ANISOU 1625 CG2 ILE B 31 5547 4216 4976 838 -1213 -421 C ATOM 1626 CD1 ILE B 31 19.483 -15.698 -22.098 1.00 33.60 C ANISOU 1626 CD1 ILE B 31 4550 3597 4617 455 -1202 -273 C ATOM 0 H ILE B 31 22.835 -17.953 -22.219 1.00 38.98 H new ATOM 0 HA ILE B 31 21.565 -18.275 -24.598 1.00 39.42 H new ATOM 0 HB ILE B 31 21.840 -15.844 -23.255 1.00 39.02 H new ATOM 0 HG12 ILE B 31 19.463 -17.388 -23.221 1.00 36.59 H new ATOM 0 HG13 ILE B 31 20.483 -17.462 -22.043 1.00 36.59 H new ATOM 0 HG21 ILE B 31 20.162 -15.029 -24.770 1.00 38.79 H new ATOM 0 HG22 ILE B 31 21.434 -15.515 -25.579 1.00 38.79 H new ATOM 0 HG23 ILE B 31 20.146 -16.434 -25.501 1.00 38.79 H new ATOM 0 HD11 ILE B 31 18.776 -15.997 -21.505 1.00 33.60 H new ATOM 0 HD12 ILE B 31 20.143 -15.201 -21.589 1.00 33.60 H new ATOM 0 HD13 ILE B 31 19.107 -15.126 -22.785 1.00 33.60 H new ATOM 1627 N ARG B 32 23.656 -17.931 -25.886 1.00 43.93 N ANISOU 1627 N ARG B 32 6359 4932 5400 1312 -1052 -391 N ATOM 1628 CA ARG B 32 24.955 -17.830 -26.570 1.00 45.87 C ANISOU 1628 CA ARG B 32 6622 5300 5504 1504 -876 -364 C ATOM 1629 C ARG B 32 24.871 -16.692 -27.584 1.00 45.93 C ANISOU 1629 C ARG B 32 6721 5335 5395 1518 -785 -399 C ATOM 1630 O ARG B 32 23.990 -16.664 -28.415 1.00 45.70 O ANISOU 1630 O ARG B 32 6899 5145 5317 1559 -904 -489 O ATOM 1631 CB ARG B 32 25.351 -19.181 -27.220 1.00 48.36 C ANISOU 1631 CB ARG B 32 7143 5488 5742 1765 -919 -404 C ATOM 0 H ARG B 32 23.081 -18.423 -26.294 1.00 43.93 H new ATOM 0 HA ARG B 32 25.658 -17.630 -25.933 1.00 45.87 H new ATOM 1632 N GLY B 33 25.784 -15.736 -27.465 1.00 46.16 N ANISOU 1632 N GLY B 33 6592 5562 5382 1470 -584 -323 N ATOM 1633 CA GLY B 33 25.940 -14.659 -28.442 1.00 46.51 C ANISOU 1633 CA GLY B 33 6738 5639 5294 1496 -448 -334 C ATOM 1634 C GLY B 33 27.236 -14.781 -29.261 1.00 48.81 C ANISOU 1634 C GLY B 33 7055 6034 5457 1704 -227 -289 C ATOM 1635 O GLY B 33 27.913 -15.843 -29.253 1.00 49.50 O ANISOU 1635 O GLY B 33 7124 6140 5542 1884 -205 -269 O ATOM 0 H GLY B 33 26.338 -15.692 -26.808 1.00 46.16 H new ATOM 0 HA2 GLY B 33 25.180 -14.662 -29.045 1.00 46.51 H new ATOM 0 HA3 GLY B 33 25.933 -13.806 -27.981 1.00 46.51 H new ATOM 1636 N GLU B 34 27.591 -13.691 -29.935 1.00 48.32 N ANISOU 1636 N GLU B 34 7033 6038 5288 1686 -49 -263 N ATOM 1637 CA GLU B 34 28.858 -13.581 -30.671 1.00 50.64 C ANISOU 1637 CA GLU B 34 7307 6460 5472 1846 216 -193 C ATOM 1638 C GLU B 34 30.035 -13.381 -29.699 1.00 50.66 C ANISOU 1638 C GLU B 34 6927 6720 5599 1721 354 -65 C ATOM 1639 O GLU B 34 30.922 -14.269 -29.596 1.00 52.64 O ANISOU 1639 O GLU B 34 7053 7070 5876 1892 421 -14 O ATOM 1640 CB GLU B 34 28.799 -12.420 -31.682 1.00 51.20 C ANISOU 1640 CB GLU B 34 7564 6502 5388 1840 371 -196 C ATOM 0 H GLU B 34 27.102 -12.985 -29.981 1.00 48.32 H new ATOM 0 HA GLU B 34 28.997 -14.408 -31.158 1.00 50.64 H new ATOM 1641 N ALA B 35 30.063 -12.228 -29.023 1.00 48.08 N ANISOU 1641 N ALA B 35 6431 6497 5339 1440 388 -14 N ATOM 1642 CA ALA B 35 31.141 -11.877 -28.064 1.00 48.83 C ANISOU 1642 CA ALA B 35 6165 6833 5553 1271 480 102 C ATOM 1643 C ALA B 35 30.881 -12.427 -26.638 1.00 48.17 C ANISOU 1643 C ALA B 35 5910 6774 5617 1150 270 106 C ATOM 1644 O ALA B 35 31.792 -12.454 -25.801 1.00 48.82 O ANISOU 1644 O ALA B 35 5707 7045 5795 1065 292 194 O ATOM 1645 CB ALA B 35 31.298 -10.347 -27.960 1.00 48.62 C ANISOU 1645 CB ALA B 35 6081 6877 5513 1000 595 151 C ATOM 0 H ALA B 35 29.459 -11.621 -29.102 1.00 48.08 H new ATOM 0 HA ALA B 35 31.949 -12.286 -28.412 1.00 48.83 H new ATOM 0 HB1 ALA B 35 32.005 -10.136 -27.330 1.00 48.62 H new ATOM 0 HB2 ALA B 35 31.523 -9.985 -28.831 1.00 48.62 H new ATOM 0 HB3 ALA B 35 30.465 -9.956 -27.653 1.00 48.62 H new ATOM 1646 N VAL B 36 29.634 -12.813 -26.355 1.00 46.89 N ANISOU 1646 N VAL B 36 5918 6422 5474 1133 68 18 N ATOM 1647 CA VAL B 36 29.176 -12.997 -24.964 1.00 44.96 C ANISOU 1647 CA VAL B 36 5553 6175 5351 962 -101 27 C ATOM 1648 C VAL B 36 28.309 -14.242 -24.802 1.00 43.98 C ANISOU 1648 C VAL B 36 5565 5874 5268 1083 -284 -38 C ATOM 1649 O VAL B 36 27.586 -14.654 -25.723 1.00 45.55 O ANISOU 1649 O VAL B 36 5998 5902 5408 1219 -341 -123 O ATOM 1650 CB VAL B 36 28.364 -11.753 -24.540 1.00 44.51 C ANISOU 1650 CB VAL B 36 5543 6072 5297 713 -133 10 C ATOM 1651 CG1 VAL B 36 27.127 -12.141 -23.709 1.00 44.13 C ANISOU 1651 CG1 VAL B 36 5556 5881 5327 639 -322 -36 C ATOM 1652 CG2 VAL B 36 29.293 -10.774 -23.835 1.00 44.52 C ANISOU 1652 CG2 VAL B 36 5333 6259 5322 499 -38 99 C ATOM 0 H VAL B 36 29.035 -12.974 -26.950 1.00 46.89 H new ATOM 0 HA VAL B 36 29.959 -13.111 -24.403 1.00 44.96 H new ATOM 0 HB VAL B 36 28.006 -11.307 -25.324 1.00 44.51 H new ATOM 0 HG11 VAL B 36 26.640 -11.340 -23.459 1.00 44.13 H new ATOM 0 HG12 VAL B 36 26.551 -12.718 -24.235 1.00 44.13 H new ATOM 0 HG13 VAL B 36 27.409 -12.610 -22.908 1.00 44.13 H new ATOM 0 HG21 VAL B 36 28.791 -9.989 -23.565 1.00 44.52 H new ATOM 0 HG22 VAL B 36 29.676 -11.198 -23.051 1.00 44.52 H new ATOM 0 HG23 VAL B 36 30.004 -10.510 -24.439 1.00 44.52 H new ATOM 1653 N SER B 37 28.360 -14.817 -23.616 1.00 42.27 N ANISOU 1653 N SER B 37 5221 5689 5150 1018 -387 0 N ATOM 1654 CA SER B 37 27.462 -15.889 -23.224 1.00 42.07 C ANISOU 1654 CA SER B 37 5312 5486 5185 1063 -558 -45 C ATOM 1655 C SER B 37 26.812 -15.402 -21.909 1.00 38.43 C ANISOU 1655 C SER B 37 4765 5023 4810 818 -636 -16 C ATOM 1656 O SER B 37 27.497 -14.803 -21.027 1.00 36.89 O ANISOU 1656 O SER B 37 4397 4988 4631 685 -593 56 O ATOM 1657 CB SER B 37 28.240 -17.184 -22.972 1.00 45.38 C ANISOU 1657 CB SER B 37 5691 5932 5619 1256 -582 -7 C ATOM 1658 OG SER B 37 27.359 -18.296 -22.941 1.00 50.48 O ANISOU 1658 OG SER B 37 6523 6358 6297 1325 -733 -64 O ATOM 0 H SER B 37 28.924 -14.594 -23.006 1.00 42.27 H new ATOM 0 HA SER B 37 26.808 -16.081 -23.914 1.00 42.07 H new ATOM 0 HB2 SER B 37 28.904 -17.310 -23.668 1.00 45.38 H new ATOM 0 HB3 SER B 37 28.720 -17.121 -22.131 1.00 45.38 H new ATOM 0 HG SER B 37 27.799 -18.998 -22.804 1.00 50.48 H new ATOM 1659 N LEU B 38 25.514 -15.633 -21.794 1.00 35.54 N ANISOU 1659 N LEU B 38 4523 4480 4497 761 -748 -70 N ATOM 1660 CA LEU B 38 24.787 -15.287 -20.546 1.00 33.65 C ANISOU 1660 CA LEU B 38 4227 4218 4337 562 -799 -36 C ATOM 1661 C LEU B 38 24.420 -16.554 -19.838 1.00 33.62 C ANISOU 1661 C LEU B 38 4254 4103 4415 593 -905 -19 C ATOM 1662 O LEU B 38 23.591 -17.328 -20.346 1.00 34.18 O ANISOU 1662 O LEU B 38 4453 4001 4533 653 -997 -75 O ATOM 1663 CB LEU B 38 23.487 -14.558 -20.812 1.00 31.91 C ANISOU 1663 CB LEU B 38 4092 3890 4142 462 -825 -89 C ATOM 1664 CG LEU B 38 23.640 -13.197 -21.459 1.00 31.37 C ANISOU 1664 CG LEU B 38 4044 3892 3981 418 -723 -106 C ATOM 1665 CD1 LEU B 38 22.297 -12.598 -21.688 1.00 31.21 C ANISOU 1665 CD1 LEU B 38 4110 3757 3988 360 -770 -156 C ATOM 1666 CD2 LEU B 38 24.574 -12.213 -20.624 1.00 32.98 C ANISOU 1666 CD2 LEU B 38 4121 4267 4140 269 -619 -31 C ATOM 0 H LEU B 38 25.027 -15.984 -22.410 1.00 35.54 H new ATOM 0 HA LEU B 38 25.374 -14.716 -20.027 1.00 33.65 H new ATOM 0 HB2 LEU B 38 22.931 -15.112 -21.382 1.00 31.91 H new ATOM 0 HB3 LEU B 38 23.014 -14.451 -19.972 1.00 31.91 H new ATOM 0 HG LEU B 38 24.086 -13.327 -22.311 1.00 31.37 H new ATOM 0 HD11 LEU B 38 22.397 -11.727 -22.102 1.00 31.21 H new ATOM 0 HD12 LEU B 38 21.780 -13.175 -22.271 1.00 31.21 H new ATOM 0 HD13 LEU B 38 21.837 -12.501 -20.840 1.00 31.21 H new ATOM 0 HD21 LEU B 38 24.637 -11.360 -21.082 1.00 32.98 H new ATOM 0 HD22 LEU B 38 24.195 -12.079 -19.741 1.00 32.98 H new ATOM 0 HD23 LEU B 38 25.459 -12.600 -20.540 1.00 32.98 H new ATOM 1667 N GLN B 39 24.998 -16.740 -18.660 1.00 33.10 N ANISOU 1667 N GLN B 39 4089 4124 4363 541 -904 59 N ATOM 1668 CA GLN B 39 24.838 -18.025 -17.946 1.00 33.25 C ANISOU 1668 CA GLN B 39 4161 4035 4437 594 -990 91 C ATOM 1669 C GLN B 39 23.771 -17.841 -16.840 1.00 31.38 C ANISOU 1669 C GLN B 39 3942 3708 4271 410 -1011 124 C ATOM 1670 O GLN B 39 23.880 -16.928 -16.073 1.00 28.23 O ANISOU 1670 O GLN B 39 3476 3406 3844 282 -960 165 O ATOM 1671 CB GLN B 39 26.133 -18.409 -17.307 1.00 36.05 C ANISOU 1671 CB GLN B 39 4413 4534 4750 680 -985 164 C ATOM 1672 CG GLN B 39 27.207 -18.924 -18.269 1.00 41.57 C ANISOU 1672 CG GLN B 39 5086 5314 5394 912 -951 153 C ATOM 1673 CD GLN B 39 26.798 -20.239 -18.921 1.00 50.20 C ANISOU 1673 CD GLN B 39 6374 6204 6493 1092 -1018 102 C ATOM 1674 OE1 GLN B 39 27.031 -20.455 -20.123 1.00 58.84 O ANISOU 1674 OE1 GLN B 39 7552 7271 7532 1258 -984 46 O ATOM 1675 NE2 GLN B 39 26.152 -21.106 -18.150 1.00 54.65 N ANISOU 1675 NE2 GLN B 39 7043 6606 7113 1054 -1110 121 N ATOM 0 H GLN B 39 25.480 -16.155 -18.254 1.00 33.10 H new ATOM 0 HA GLN B 39 24.568 -18.717 -18.570 1.00 33.25 H new ATOM 0 HB2 GLN B 39 26.485 -17.639 -16.834 1.00 36.05 H new ATOM 0 HB3 GLN B 39 25.959 -19.094 -16.643 1.00 36.05 H new ATOM 0 HG2 GLN B 39 27.371 -18.259 -18.956 1.00 41.57 H new ATOM 0 HG3 GLN B 39 28.040 -19.047 -17.788 1.00 41.57 H new ATOM 0 HE21 GLN B 39 26.009 -20.922 -17.322 1.00 54.65 H new ATOM 0 HE22 GLN B 39 25.877 -21.852 -18.478 1.00 54.65 H new ATOM 1676 N PRO B 40 22.789 -18.729 -16.752 1.00 31.42 N ANISOU 1676 N PRO B 40 4047 3525 4366 399 -1077 113 N ATOM 1677 CA PRO B 40 21.811 -18.533 -15.682 1.00 32.11 C ANISOU 1677 CA PRO B 40 4131 3542 4525 233 -1055 163 C ATOM 1678 C PRO B 40 22.524 -18.557 -14.324 1.00 31.11 C ANISOU 1678 C PRO B 40 3983 3499 4338 202 -1027 256 C ATOM 1679 O PRO B 40 23.481 -19.335 -14.074 1.00 31.36 O ANISOU 1679 O PRO B 40 4027 3565 4321 321 -1072 290 O ATOM 1680 CB PRO B 40 20.859 -19.691 -15.836 1.00 32.34 C ANISOU 1680 CB PRO B 40 4257 3360 4672 231 -1133 150 C ATOM 1681 CG PRO B 40 21.136 -20.236 -17.265 1.00 33.81 C ANISOU 1681 CG PRO B 40 4522 3489 4834 387 -1217 58 C ATOM 1682 CD PRO B 40 22.562 -19.985 -17.468 1.00 33.86 C ANISOU 1682 CD PRO B 40 4483 3668 4711 525 -1168 67 C ATOM 0 HA PRO B 40 21.346 -17.683 -15.730 1.00 32.11 H new ATOM 0 HB2 PRO B 40 21.017 -20.370 -15.162 1.00 32.34 H new ATOM 0 HB3 PRO B 40 19.937 -19.405 -15.740 1.00 32.34 H new ATOM 0 HG2 PRO B 40 20.929 -21.181 -17.331 1.00 33.81 H new ATOM 0 HG3 PRO B 40 20.597 -19.780 -17.930 1.00 33.81 H new ATOM 0 HD2 PRO B 40 23.106 -20.704 -17.111 1.00 33.86 H new ATOM 0 HD3 PRO B 40 22.781 -19.905 -18.410 1.00 33.86 H new ATOM 1683 N LEU B 41 22.112 -17.619 -13.492 1.00 29.37 N ANISOU 1683 N LEU B 41 3740 3319 4100 60 -957 294 N ATOM 1684 CA LEU B 41 22.836 -17.306 -12.317 1.00 29.96 C ANISOU 1684 CA LEU B 41 3811 3489 4081 19 -944 364 C ATOM 1685 C LEU B 41 22.553 -18.407 -11.309 1.00 32.18 C ANISOU 1685 C LEU B 41 4197 3643 4386 32 -965 438 C ATOM 1686 O LEU B 41 21.425 -18.805 -11.128 1.00 31.33 O ANISOU 1686 O LEU B 41 4149 3383 4372 -27 -926 455 O ATOM 1687 CB LEU B 41 22.398 -15.940 -11.816 1.00 28.98 C ANISOU 1687 CB LEU B 41 3688 3413 3910 -124 -861 372 C ATOM 1688 CG LEU B 41 23.148 -15.442 -10.587 1.00 35.88 C ANISOU 1688 CG LEU B 41 4595 4377 4660 -188 -869 433 C ATOM 1689 CD1 LEU B 41 23.627 -13.947 -10.891 1.00 31.45 C ANISOU 1689 CD1 LEU B 41 3987 3948 4015 -281 -839 396 C ATOM 1690 CD2 LEU B 41 22.230 -15.531 -9.384 1.00 34.56 C ANISOU 1690 CD2 LEU B 41 4559 4086 4484 -258 -801 500 C ATOM 0 H LEU B 41 21.399 -17.152 -13.607 1.00 29.37 H new ATOM 0 HA LEU B 41 23.792 -17.261 -12.475 1.00 29.96 H new ATOM 0 HB2 LEU B 41 22.511 -15.295 -12.532 1.00 28.98 H new ATOM 0 HB3 LEU B 41 21.451 -15.973 -11.610 1.00 28.98 H new ATOM 0 HG LEU B 41 23.930 -15.980 -10.388 1.00 35.88 H new ATOM 0 HD11 LEU B 41 24.110 -13.600 -10.125 1.00 31.45 H new ATOM 0 HD12 LEU B 41 24.209 -13.945 -11.667 1.00 31.45 H new ATOM 0 HD13 LEU B 41 22.853 -13.388 -11.066 1.00 31.45 H new ATOM 0 HD21 LEU B 41 22.698 -15.216 -8.595 1.00 34.56 H new ATOM 0 HD22 LEU B 41 21.445 -14.981 -9.534 1.00 34.56 H new ATOM 0 HD23 LEU B 41 21.958 -16.453 -9.251 1.00 34.56 H new ATOM 1691 N ASP B 42 23.604 -18.887 -10.687 1.00 32.56 N ANISOU 1691 N ASP B 42 4259 3758 4352 115 -1028 487 N ATOM 1692 CA ASP B 42 23.547 -19.827 -9.587 1.00 35.99 C ANISOU 1692 CA ASP B 42 4825 4084 4762 142 -1051 570 C ATOM 1693 C ASP B 42 24.084 -19.042 -8.379 1.00 37.85 C ANISOU 1693 C ASP B 42 5084 4428 4866 73 -1055 627 C ATOM 1694 O ASP B 42 25.265 -18.977 -8.181 1.00 38.34 O ANISOU 1694 O ASP B 42 5083 4635 4848 141 -1149 640 O ATOM 1695 CB ASP B 42 24.392 -21.032 -9.968 1.00 36.94 C ANISOU 1695 CB ASP B 42 4966 4192 4875 335 -1148 572 C ATOM 1696 CG ASP B 42 24.246 -22.188 -9.004 1.00 41.42 C ANISOU 1696 CG ASP B 42 5714 4601 5422 386 -1174 654 C ATOM 1697 OD1 ASP B 42 24.038 -21.899 -7.814 1.00 42.45 O ANISOU 1697 OD1 ASP B 42 5927 4714 5487 300 -1139 725 O ATOM 1698 OD2 ASP B 42 24.392 -23.350 -9.425 1.00 39.83 O ANISOU 1698 OD2 ASP B 42 5598 4287 5248 523 -1228 650 O ATOM 0 H ASP B 42 24.407 -18.667 -10.901 1.00 32.56 H new ATOM 0 HA ASP B 42 22.664 -20.170 -9.377 1.00 35.99 H new ATOM 0 HB2 ASP B 42 24.143 -21.327 -10.858 1.00 36.94 H new ATOM 0 HB3 ASP B 42 25.324 -20.767 -10.008 1.00 36.94 H new ATOM 1699 N ALA B 43 23.180 -18.378 -7.634 1.00 34.51 N ANISOU 1699 N ALA B 43 4320 4740 4052 -590 -287 434 N ATOM 1700 CA ALA B 43 23.560 -17.410 -6.541 1.00 34.88 C ANISOU 1700 CA ALA B 43 4249 4928 4077 -581 -302 466 C ATOM 1701 C ALA B 43 24.674 -17.880 -5.656 1.00 35.59 C ANISOU 1701 C ALA B 43 4346 4948 4226 -553 -357 587 C ATOM 1702 O ALA B 43 25.667 -17.159 -5.475 1.00 38.28 O ANISOU 1702 O ALA B 43 4608 5298 4636 -448 -354 583 O ATOM 1703 CB ALA B 43 22.338 -17.082 -5.707 1.00 36.70 C ANISOU 1703 CB ALA B 43 4404 5374 4163 -725 -320 436 C ATOM 0 H ALA B 43 22.331 -18.466 -7.737 1.00 34.51 H new ATOM 0 HA ALA B 43 23.898 -16.618 -6.988 1.00 34.88 H new ATOM 0 HB1 ALA B 43 22.583 -16.460 -5.004 1.00 36.70 H new ATOM 0 HB2 ALA B 43 21.659 -16.681 -6.272 1.00 36.70 H new ATOM 0 HB3 ALA B 43 21.989 -17.895 -5.310 1.00 36.70 H new ATOM 1704 N PRO B 44 24.531 -19.063 -5.037 1.00 37.38 N ANISOU 1704 N PRO B 44 4655 5108 4437 -656 -423 712 N ATOM 1705 CA PRO B 44 25.654 -19.537 -4.184 1.00 38.25 C ANISOU 1705 CA PRO B 44 4770 5150 4611 -610 -500 854 C ATOM 1706 C PRO B 44 26.973 -19.921 -4.935 1.00 40.04 C ANISOU 1706 C PRO B 44 5033 5156 5023 -419 -496 847 C ATOM 1707 O PRO B 44 28.093 -19.823 -4.325 1.00 39.31 O ANISOU 1707 O PRO B 44 4880 5059 4994 -331 -545 920 O ATOM 1708 CB PRO B 44 25.060 -20.756 -3.434 1.00 40.65 C ANISOU 1708 CB PRO B 44 5163 5416 4866 -783 -585 1028 C ATOM 1709 CG PRO B 44 23.664 -20.945 -3.900 1.00 40.65 C ANISOU 1709 CG PRO B 44 5194 5462 4787 -931 -545 965 C ATOM 1710 CD PRO B 44 23.477 -20.098 -5.156 1.00 37.45 C ANISOU 1710 CD PRO B 44 4758 5063 4406 -813 -450 753 C ATOM 0 HA PRO B 44 25.953 -18.816 -3.609 1.00 38.25 H new ATOM 0 HB2 PRO B 44 25.587 -21.552 -3.609 1.00 40.65 H new ATOM 0 HB3 PRO B 44 25.081 -20.608 -2.476 1.00 40.65 H new ATOM 0 HG2 PRO B 44 23.492 -21.880 -4.091 1.00 40.65 H new ATOM 0 HG3 PRO B 44 23.036 -20.676 -3.211 1.00 40.65 H new ATOM 0 HD2 PRO B 44 23.585 -20.626 -5.962 1.00 37.45 H new ATOM 0 HD3 PRO B 44 22.592 -19.703 -5.192 1.00 37.45 H new ATOM 1711 N ARG B 45 26.875 -20.307 -6.212 1.00 38.23 N ANISOU 1711 N ARG B 45 4874 4785 4864 -347 -440 744 N ATOM 1712 CA ARG B 45 28.109 -20.657 -7.018 1.00 40.23 C ANISOU 1712 CA ARG B 45 5133 4882 5271 -147 -416 696 C ATOM 1713 C ARG B 45 28.896 -19.414 -7.530 1.00 38.57 C ANISOU 1713 C ARG B 45 4785 4796 5071 -27 -319 630 C ATOM 1714 O ARG B 45 30.019 -19.177 -7.079 1.00 40.24 O ANISOU 1714 O ARG B 45 4908 5016 5365 60 -340 684 O ATOM 1715 CB ARG B 45 27.760 -21.513 -8.183 1.00 40.17 C ANISOU 1715 CB ARG B 45 5232 4719 5309 -106 -392 579 C ATOM 1716 CG ARG B 45 28.890 -21.710 -9.184 1.00 45.13 C ANISOU 1716 CG ARG B 45 5831 5269 6044 112 -332 470 C ATOM 1717 CD ARG B 45 28.805 -23.153 -9.806 1.00 54.24 C ANISOU 1717 CD ARG B 45 7119 6175 7316 171 -392 367 C ATOM 1718 NE ARG B 45 27.683 -23.331 -10.736 1.00 58.99 N ANISOU 1718 NE ARG B 45 7796 6790 7825 92 -358 220 N ATOM 1719 CZ ARG B 45 27.646 -22.832 -11.979 1.00 63.70 C ANISOU 1719 CZ ARG B 45 8350 7529 8321 181 -244 58 C ATOM 1720 NH1 ARG B 45 26.573 -23.051 -12.759 1.00 65.06 N ANISOU 1720 NH1 ARG B 45 8590 7728 8399 101 -240 -72 N ATOM 1721 NH2 ARG B 45 28.671 -22.099 -12.445 1.00 62.65 N ANISOU 1721 NH2 ARG B 45 8095 7537 8170 335 -139 42 N ATOM 0 H ARG B 45 26.133 -20.378 -6.641 1.00 38.23 H new ATOM 0 HA ARG B 45 28.685 -21.137 -6.403 1.00 40.23 H new ATOM 0 HB2 ARG B 45 27.476 -22.382 -7.858 1.00 40.17 H new ATOM 0 HB3 ARG B 45 27.001 -21.120 -8.642 1.00 40.17 H new ATOM 0 HG2 ARG B 45 28.832 -21.042 -9.885 1.00 45.13 H new ATOM 0 HG3 ARG B 45 29.747 -21.587 -8.746 1.00 45.13 H new ATOM 0 HD2 ARG B 45 29.634 -23.345 -10.272 1.00 54.24 H new ATOM 0 HD3 ARG B 45 28.726 -23.801 -9.089 1.00 54.24 H new ATOM 0 HE ARG B 45 27.005 -23.785 -10.465 1.00 58.99 H new ATOM 0 HH11 ARG B 45 25.911 -23.511 -12.460 1.00 65.06 H new ATOM 0 HH12 ARG B 45 26.549 -22.731 -13.557 1.00 65.06 H new ATOM 0 HH21 ARG B 45 29.354 -21.948 -11.945 1.00 62.65 H new ATOM 0 HH22 ARG B 45 28.644 -21.780 -13.243 1.00 62.65 H new ATOM 1722 N HIS B 46 28.257 -18.627 -8.404 1.00 35.22 N ANISOU 1722 N HIS B 46 4338 4472 4569 -44 -231 536 N ATOM 1723 CA HIS B 46 28.788 -17.428 -9.062 1.00 33.76 C ANISOU 1723 CA HIS B 46 4037 4392 4398 32 -142 506 C ATOM 1724 C HIS B 46 28.970 -16.261 -8.091 1.00 31.88 C ANISOU 1724 C HIS B 46 3679 4256 4175 -18 -178 551 C ATOM 1725 O HIS B 46 29.614 -15.260 -8.422 1.00 32.15 O ANISOU 1725 O HIS B 46 3602 4335 4276 30 -134 558 O ATOM 1726 CB HIS B 46 27.758 -16.889 -10.097 1.00 31.31 C ANISOU 1726 CB HIS B 46 3747 4164 3983 -3 -76 431 C ATOM 1727 CG HIS B 46 27.526 -17.776 -11.282 1.00 34.17 C ANISOU 1727 CG HIS B 46 4202 4478 4302 52 -32 338 C ATOM 1728 ND1 HIS B 46 28.522 -18.091 -12.190 1.00 40.79 N ANISOU 1728 ND1 HIS B 46 5014 5305 5176 200 41 294 N ATOM 1729 CD2 HIS B 46 26.383 -18.290 -11.796 1.00 29.28 C ANISOU 1729 CD2 HIS B 46 3677 3857 3590 -16 -46 254 C ATOM 1730 CE1 HIS B 46 28.009 -18.843 -13.157 1.00 39.25 C ANISOU 1730 CE1 HIS B 46 4907 5094 4909 228 61 167 C ATOM 1731 NE2 HIS B 46 26.722 -19.010 -12.913 1.00 39.55 N ANISOU 1731 NE2 HIS B 46 5025 5120 4882 90 0 145 N ATOM 0 H HIS B 46 27.448 -18.792 -8.643 1.00 35.22 H new ATOM 0 HA HIS B 46 29.633 -17.701 -9.453 1.00 33.76 H new ATOM 0 HB2 HIS B 46 26.911 -16.747 -9.646 1.00 31.31 H new ATOM 0 HB3 HIS B 46 28.060 -16.023 -10.413 1.00 31.31 H new ATOM 0 HD2 HIS B 46 25.526 -18.176 -11.454 1.00 29.28 H new ATOM 0 HE1 HIS B 46 28.476 -19.192 -13.882 1.00 39.25 H new ATOM 0 HE2 HIS B 46 26.184 -19.492 -13.379 1.00 39.55 H new ATOM 1732 N GLY B 47 28.305 -16.359 -6.953 1.00 31.15 N ANISOU 1732 N GLY B 47 3605 4216 4014 -129 -259 572 N ATOM 1733 CA GLY B 47 28.175 -15.275 -6.029 1.00 30.76 C ANISOU 1733 CA GLY B 47 3447 4294 3944 -184 -302 550 C ATOM 1734 C GLY B 47 29.470 -14.639 -5.629 1.00 31.23 C ANISOU 1734 C GLY B 47 3385 4356 4124 -114 -328 575 C ATOM 1735 O GLY B 47 29.566 -13.394 -5.586 1.00 30.53 O ANISOU 1735 O GLY B 47 3188 4314 4095 -117 -330 519 O ATOM 0 H GLY B 47 27.910 -17.080 -6.699 1.00 31.15 H new ATOM 0 HA2 GLY B 47 27.603 -14.597 -6.422 1.00 30.76 H new ATOM 0 HA3 GLY B 47 27.726 -15.597 -5.232 1.00 30.76 H new ATOM 1736 N ALA B 48 30.462 -15.452 -5.258 1.00 31.56 N ANISOU 1736 N ALA B 48 3431 4338 4222 -54 -369 656 N ATOM 1737 CA ALA B 48 31.739 -14.886 -4.760 1.00 32.76 C ANISOU 1737 CA ALA B 48 3441 4516 4490 4 -412 677 C ATOM 1738 C ALA B 48 32.501 -14.131 -5.849 1.00 32.13 C ANISOU 1738 C ALA B 48 3263 4400 4543 78 -318 664 C ATOM 1739 O ALA B 48 32.942 -12.986 -5.640 1.00 31.64 O ANISOU 1739 O ALA B 48 3069 4378 4573 54 -336 641 O ATOM 1740 CB ALA B 48 32.610 -15.996 -4.072 1.00 34.82 C ANISOU 1740 CB ALA B 48 3716 4731 4781 64 -499 781 C ATOM 0 H ALA B 48 30.427 -16.311 -5.282 1.00 31.56 H new ATOM 0 HA ALA B 48 31.526 -14.225 -4.083 1.00 32.76 H new ATOM 0 HB1 ALA B 48 33.439 -15.606 -3.754 1.00 34.82 H new ATOM 0 HB2 ALA B 48 32.122 -16.373 -3.323 1.00 34.82 H new ATOM 0 HB3 ALA B 48 32.808 -16.696 -4.713 1.00 34.82 H new ATOM 1741 N ALA B 49 32.491 -14.694 -7.053 1.00 32.05 N ANISOU 1741 N ALA B 49 3319 4330 4530 146 -217 670 N ATOM 1742 CA ALA B 49 33.066 -14.074 -8.230 1.00 32.18 C ANISOU 1742 CA ALA B 49 3247 4365 4613 201 -104 682 C ATOM 1743 C ALA B 49 32.437 -12.720 -8.501 1.00 32.58 C ANISOU 1743 C ALA B 49 3253 4452 4674 115 -89 677 C ATOM 1744 O ALA B 49 33.179 -11.719 -8.698 1.00 33.85 O ANISOU 1744 O ALA B 49 3273 4625 4963 104 -72 728 O ATOM 1745 CB ALA B 49 32.931 -15.001 -9.452 1.00 30.89 C ANISOU 1745 CB ALA B 49 3174 4178 4382 289 -4 652 C ATOM 0 H ALA B 49 32.141 -15.464 -7.207 1.00 32.05 H new ATOM 0 HA ALA B 49 34.010 -13.930 -8.062 1.00 32.18 H new ATOM 0 HB1 ALA B 49 33.320 -14.571 -10.229 1.00 30.89 H new ATOM 0 HB2 ALA B 49 33.395 -15.835 -9.278 1.00 30.89 H new ATOM 0 HB3 ALA B 49 31.993 -15.182 -9.619 1.00 30.89 H new ATOM 1746 N LEU B 50 31.085 -12.652 -8.495 1.00 29.80 N ANISOU 1746 N LEU B 50 3005 4107 4211 51 -108 621 N ATOM 1747 CA LEU B 50 30.392 -11.404 -8.764 1.00 28.53 C ANISOU 1747 CA LEU B 50 2803 3958 4077 -3 -116 606 C ATOM 1748 C LEU B 50 30.601 -10.367 -7.674 1.00 29.75 C ANISOU 1748 C LEU B 50 2846 4106 4352 -53 -221 558 C ATOM 1749 O LEU B 50 30.762 -9.187 -7.942 1.00 29.17 O ANISOU 1749 O LEU B 50 2680 3983 4418 -74 -238 577 O ATOM 1750 CB LEU B 50 28.889 -11.715 -8.949 1.00 29.43 C ANISOU 1750 CB LEU B 50 3036 4104 4042 -43 -121 536 C ATOM 1751 CG LEU B 50 28.504 -12.554 -10.190 1.00 28.35 C ANISOU 1751 CG LEU B 50 3004 3978 3789 -4 -33 546 C ATOM 1752 CD1 LEU B 50 27.062 -13.120 -10.244 1.00 29.93 C ANISOU 1752 CD1 LEU B 50 3314 4211 3845 -62 -56 466 C ATOM 1753 CD2 LEU B 50 28.758 -11.703 -11.417 1.00 27.28 C ANISOU 1753 CD2 LEU B 50 2808 3873 3682 29 40 627 C ATOM 0 H LEU B 50 30.569 -13.321 -8.337 1.00 29.80 H new ATOM 0 HA LEU B 50 30.761 -11.014 -9.572 1.00 28.53 H new ATOM 0 HB2 LEU B 50 28.576 -12.182 -8.158 1.00 29.43 H new ATOM 0 HB3 LEU B 50 28.408 -10.874 -8.990 1.00 29.43 H new ATOM 0 HG LEU B 50 29.057 -13.350 -10.144 1.00 28.35 H new ATOM 0 HD11 LEU B 50 26.943 -13.624 -11.064 1.00 29.93 H new ATOM 0 HD12 LEU B 50 26.914 -13.702 -9.482 1.00 29.93 H new ATOM 0 HD13 LEU B 50 26.426 -12.388 -10.219 1.00 29.93 H new ATOM 0 HD21 LEU B 50 28.525 -12.205 -12.213 1.00 27.28 H new ATOM 0 HD22 LEU B 50 28.216 -10.900 -11.372 1.00 27.28 H new ATOM 0 HD23 LEU B 50 29.696 -11.458 -11.453 1.00 27.28 H new ATOM 1754 N PHE B 51 30.654 -10.808 -6.431 1.00 28.56 N ANISOU 1754 N PHE B 51 2695 4001 4153 -75 -304 497 N ATOM 1755 CA PHE B 51 30.995 -9.909 -5.316 1.00 31.75 C ANISOU 1755 CA PHE B 51 2978 4434 4651 -111 -415 413 C ATOM 1756 C PHE B 51 32.351 -9.267 -5.505 1.00 33.05 C ANISOU 1756 C PHE B 51 3002 4534 5018 -95 -421 474 C ATOM 1757 O PHE B 51 32.488 -8.065 -5.311 1.00 34.36 O ANISOU 1757 O PHE B 51 3062 4647 5344 -134 -486 418 O ATOM 1758 CB PHE B 51 31.079 -10.649 -3.999 1.00 32.19 C ANISOU 1758 CB PHE B 51 3044 4600 4584 -130 -498 377 C ATOM 1759 CG PHE B 51 31.634 -9.795 -2.854 1.00 32.63 C ANISOU 1759 CG PHE B 51 2956 4723 4716 -155 -620 269 C ATOM 1760 CD1 PHE B 51 30.873 -8.739 -2.348 1.00 36.57 C ANISOU 1760 CD1 PHE B 51 3397 5269 5230 -190 -688 90 C ATOM 1761 CD2 PHE B 51 32.877 -10.005 -2.345 1.00 35.19 C ANISOU 1761 CD2 PHE B 51 3193 5065 5109 -130 -677 318 C ATOM 1762 CE1 PHE B 51 31.350 -7.945 -1.320 1.00 39.30 C ANISOU 1762 CE1 PHE B 51 3607 5677 5647 -206 -812 -58 C ATOM 1763 CE2 PHE B 51 33.387 -9.202 -1.302 1.00 36.59 C ANISOU 1763 CE2 PHE B 51 3229 5319 5352 -159 -806 193 C ATOM 1764 CZ PHE B 51 32.613 -8.171 -0.793 1.00 35.59 C ANISOU 1764 CZ PHE B 51 3053 5236 5232 -199 -874 -6 C ATOM 0 H PHE B 51 30.498 -11.622 -6.200 1.00 28.56 H new ATOM 0 HA PHE B 51 30.287 -9.246 -5.304 1.00 31.75 H new ATOM 0 HB2 PHE B 51 30.195 -10.966 -3.757 1.00 32.19 H new ATOM 0 HB3 PHE B 51 31.641 -11.432 -4.111 1.00 32.19 H new ATOM 0 HD1 PHE B 51 30.033 -8.567 -2.707 1.00 36.57 H new ATOM 0 HD2 PHE B 51 33.401 -10.691 -2.691 1.00 35.19 H new ATOM 0 HE1 PHE B 51 30.822 -7.258 -0.982 1.00 39.30 H new ATOM 0 HE2 PHE B 51 34.236 -9.364 -0.959 1.00 36.59 H new ATOM 0 HZ PHE B 51 32.937 -7.636 -0.105 1.00 35.59 H new ATOM 1765 N ARG B 52 33.340 -10.062 -5.908 1.00 32.81 N ANISOU 1765 N ARG B 52 2960 4504 5002 -37 -359 581 N ATOM 1766 CA ARG B 52 34.696 -9.500 -6.055 1.00 35.28 C ANISOU 1766 CA ARG B 52 3104 4795 5505 -32 -358 646 C ATOM 1767 C ARG B 52 34.792 -8.424 -7.167 1.00 37.04 C ANISOU 1767 C ARG B 52 3256 4949 5869 -75 -286 733 C ATOM 1768 O ARG B 52 35.703 -7.584 -7.150 1.00 37.66 O ANISOU 1768 O ARG B 52 3173 4990 6143 -125 -315 782 O ATOM 1769 CB ARG B 52 35.719 -10.598 -6.350 1.00 36.09 C ANISOU 1769 CB ARG B 52 3184 4934 5593 63 -295 728 C ATOM 1770 CG ARG B 52 35.852 -11.635 -5.251 1.00 38.27 C ANISOU 1770 CG ARG B 52 3511 5250 5778 107 -393 700 C ATOM 1771 CD ARG B 52 36.913 -12.725 -5.625 1.00 41.16 C ANISOU 1771 CD ARG B 52 3843 5614 6179 237 -347 773 C ATOM 1772 NE ARG B 52 36.429 -14.069 -5.335 1.00 47.06 N ANISOU 1772 NE ARG B 52 4754 6320 6805 295 -382 783 N ATOM 1773 CZ ARG B 52 36.268 -15.049 -6.220 1.00 49.93 C ANISOU 1773 CZ ARG B 52 5222 6614 7132 385 -298 788 C ATOM 1774 NH1 ARG B 52 36.567 -14.904 -7.498 1.00 50.46 N ANISOU 1774 NH1 ARG B 52 5245 6698 7229 444 -157 776 N ATOM 1775 NH2 ARG B 52 35.803 -16.207 -5.806 1.00 56.98 N ANISOU 1775 NH2 ARG B 52 6263 7429 7957 410 -366 805 N ATOM 0 H ARG B 52 33.261 -10.897 -6.096 1.00 32.81 H new ATOM 0 HA ARG B 52 34.893 -9.076 -5.205 1.00 35.28 H new ATOM 0 HB2 ARG B 52 35.470 -11.045 -7.174 1.00 36.09 H new ATOM 0 HB3 ARG B 52 36.585 -10.187 -6.500 1.00 36.09 H new ATOM 0 HG2 ARG B 52 36.109 -11.201 -4.423 1.00 38.27 H new ATOM 0 HG3 ARG B 52 34.993 -12.057 -5.095 1.00 38.27 H new ATOM 0 HD2 ARG B 52 37.131 -12.655 -6.568 1.00 41.16 H new ATOM 0 HD3 ARG B 52 37.732 -12.562 -5.132 1.00 41.16 H new ATOM 0 HE ARG B 52 36.229 -14.244 -4.517 1.00 47.06 H new ATOM 0 HH11 ARG B 52 36.878 -14.155 -7.785 1.00 50.46 H new ATOM 0 HH12 ARG B 52 36.451 -15.558 -8.044 1.00 50.46 H new ATOM 0 HH21 ARG B 52 35.609 -16.320 -4.976 1.00 56.98 H new ATOM 0 HH22 ARG B 52 35.693 -16.851 -6.365 1.00 56.98 H new ATOM 1776 N LEU B 53 33.846 -8.469 -8.120 1.00 38.61 N ANISOU 1776 N LEU B 53 3110 5395 6164 3 -507 1201 N ATOM 1777 CA LEU B 53 33.833 -7.587 -9.288 1.00 39.51 C ANISOU 1777 CA LEU B 53 2937 5643 6430 -163 -394 1462 C ATOM 1778 C LEU B 53 33.618 -6.170 -8.918 1.00 40.39 C ANISOU 1778 C LEU B 53 2913 5568 6863 -327 -525 1551 C ATOM 1779 O LEU B 53 34.183 -5.295 -9.562 1.00 41.67 O ANISOU 1779 O LEU B 53 2783 5780 7270 -452 -486 1761 O ATOM 1780 CB LEU B 53 32.711 -7.955 -10.240 1.00 39.84 C ANISOU 1780 CB LEU B 53 3125 5790 6222 -199 -223 1533 C ATOM 1781 CG LEU B 53 32.929 -9.131 -11.151 1.00 39.47 C ANISOU 1781 CG LEU B 53 3142 5974 5879 -68 -61 1522 C ATOM 1782 CD1 LEU B 53 31.698 -9.197 -12.083 1.00 38.67 C ANISOU 1782 CD1 LEU B 53 3149 5944 5596 -123 37 1574 C ATOM 1783 CD2 LEU B 53 34.229 -8.887 -11.944 1.00 45.83 C ANISOU 1783 CD2 LEU B 53 3627 6999 6787 -33 34 1704 C ATOM 0 H LEU B 53 33.188 -9.022 -8.100 1.00 38.61 H new ATOM 0 HA LEU B 53 34.702 -7.698 -9.705 1.00 39.51 H new ATOM 0 HB2 LEU B 53 31.916 -8.129 -9.712 1.00 39.84 H new ATOM 0 HB3 LEU B 53 32.521 -7.180 -10.792 1.00 39.84 H new ATOM 0 HG LEU B 53 33.021 -9.970 -10.673 1.00 39.47 H new ATOM 0 HD11 LEU B 53 31.794 -9.945 -12.693 1.00 38.67 H new ATOM 0 HD12 LEU B 53 30.895 -9.314 -11.551 1.00 38.67 H new ATOM 0 HD13 LEU B 53 31.632 -8.373 -12.590 1.00 38.67 H new ATOM 0 HD21 LEU B 53 34.390 -9.635 -12.540 1.00 45.83 H new ATOM 0 HD22 LEU B 53 34.143 -8.073 -12.464 1.00 45.83 H new ATOM 0 HD23 LEU B 53 34.973 -8.799 -11.327 1.00 45.83 H new ATOM 1784 N PHE B 54 32.856 -5.954 -7.849 1.00 38.09 N ANISOU 1784 N PHE B 54 2848 5047 6574 -316 -668 1393 N ATOM 1785 CA PHE B 54 32.450 -4.631 -7.451 1.00 40.08 C ANISOU 1785 CA PHE B 54 3037 5097 7093 -441 -808 1446 C ATOM 1786 C PHE B 54 33.060 -4.163 -6.161 1.00 44.18 C ANISOU 1786 C PHE B 54 3559 5400 7827 -382 -1078 1271 C ATOM 1787 O PHE B 54 32.962 -2.973 -5.844 1.00 46.57 O ANISOU 1787 O PHE B 54 3770 5516 8407 -484 -1232 1307 O ATOM 1788 CB PHE B 54 30.925 -4.628 -7.371 1.00 40.03 C ANISOU 1788 CB PHE B 54 3272 5020 6917 -459 -746 1403 C ATOM 1789 CG PHE B 54 30.301 -4.976 -8.665 1.00 36.54 C ANISOU 1789 CG PHE B 54 2806 4783 6294 -504 -546 1542 C ATOM 1790 CD1 PHE B 54 30.399 -4.119 -9.733 1.00 45.55 C ANISOU 1790 CD1 PHE B 54 3743 6007 7557 -604 -494 1794 C ATOM 1791 CD2 PHE B 54 29.692 -6.170 -8.845 1.00 38.60 C ANISOU 1791 CD2 PHE B 54 3259 5141 6263 -433 -417 1421 C ATOM 1792 CE1 PHE B 54 29.855 -4.464 -10.967 1.00 42.92 C ANISOU 1792 CE1 PHE B 54 3422 5877 7009 -589 -336 1908 C ATOM 1793 CE2 PHE B 54 29.206 -6.530 -10.064 1.00 39.08 C ANISOU 1793 CE2 PHE B 54 3292 5396 6158 -447 -280 1510 C ATOM 1794 CZ PHE B 54 29.285 -5.673 -11.116 1.00 40.63 C ANISOU 1794 CZ PHE B 54 3304 5697 6435 -505 -252 1746 C ATOM 0 H PHE B 54 32.563 -6.581 -7.338 1.00 38.09 H new ATOM 0 HA PHE B 54 32.774 -4.000 -8.113 1.00 40.08 H new ATOM 0 HB2 PHE B 54 30.636 -5.260 -6.694 1.00 40.03 H new ATOM 0 HB3 PHE B 54 30.619 -3.751 -7.091 1.00 40.03 H new ATOM 0 HD1 PHE B 54 30.832 -3.302 -9.631 1.00 45.55 H new ATOM 0 HD2 PHE B 54 29.604 -6.753 -8.126 1.00 38.60 H new ATOM 0 HE1 PHE B 54 29.885 -3.866 -11.679 1.00 42.92 H new ATOM 0 HE2 PHE B 54 28.818 -7.367 -10.178 1.00 39.08 H new ATOM 0 HZ PHE B 54 28.943 -5.924 -11.944 1.00 40.63 H new ATOM 1795 N ALA B 55 33.728 -5.073 -5.450 1.00 45.81 N ANISOU 1795 N ALA B 55 3880 5621 7905 -194 -1160 1073 N ATOM 1796 CA ALA B 55 34.407 -4.747 -4.208 1.00 49.82 C ANISOU 1796 CA ALA B 55 4412 5942 8575 -70 -1463 864 C ATOM 1797 C ALA B 55 35.445 -3.721 -4.507 1.00 53.70 C ANISOU 1797 C ALA B 55 4469 6418 9515 -221 -1604 954 C ATOM 1798 O ALA B 55 36.007 -3.658 -5.608 1.00 56.75 O ANISOU 1798 O ALA B 55 4542 6993 10027 -355 -1429 1160 O ATOM 1799 CB ALA B 55 35.061 -5.990 -3.576 1.00 49.91 C ANISOU 1799 CB ALA B 55 4617 6007 8339 200 -1524 653 C ATOM 0 H ALA B 55 33.797 -5.899 -5.680 1.00 45.81 H new ATOM 0 HA ALA B 55 33.760 -4.408 -3.570 1.00 49.82 H new ATOM 0 HB1 ALA B 55 35.504 -5.738 -2.751 1.00 49.91 H new ATOM 0 HB2 ALA B 55 34.379 -6.654 -3.387 1.00 49.91 H new ATOM 0 HB3 ALA B 55 35.712 -6.362 -4.192 1.00 49.91 H new ATOM 1800 N GLY B 56 35.711 -2.871 -3.545 1.00 57.01 N ANISOU 1800 N GLY B 56 4864 6600 10196 -206 -1912 803 N ATOM 1801 CA GLY B 56 36.637 -1.784 -3.818 1.00 60.26 C ANISOU 1801 CA GLY B 56 4840 6941 11113 -405 -2050 885 C ATOM 1802 C GLY B 56 36.063 -0.552 -4.497 1.00 61.56 C ANISOU 1802 C GLY B 56 4884 6982 11524 -676 -1958 1143 C ATOM 1803 O GLY B 56 36.511 0.558 -4.189 1.00 64.66 O ANISOU 1803 O GLY B 56 5072 7150 12343 -813 -2175 1126 O ATOM 0 H GLY B 56 35.383 -2.895 -2.750 1.00 57.01 H new ATOM 0 HA2 GLY B 56 37.036 -1.508 -2.978 1.00 60.26 H new ATOM 0 HA3 GLY B 56 37.354 -2.129 -4.373 1.00 60.26 H new ATOM 1804 N ASP B 57 35.106 -0.698 -5.428 1.00 59.79 N ANISOU 1804 N ASP B 57 4780 6879 11056 -746 -1663 1370 N ATOM 1805 CA ASP B 57 34.491 0.504 -6.041 1.00 60.33 C ANISOU 1805 CA ASP B 57 4792 6809 11320 -950 -1603 1609 C ATOM 1806 C ASP B 57 33.040 0.631 -5.674 1.00 56.47 C ANISOU 1806 C ASP B 57 4653 6217 10583 -866 -1618 1547 C ATOM 1807 O ASP B 57 32.128 0.183 -6.389 1.00 51.37 O ANISOU 1807 O ASP B 57 4139 5732 9647 -848 -1394 1657 O ATOM 1808 CB ASP B 57 34.672 0.603 -7.555 1.00 62.26 C ANISOU 1808 CB ASP B 57 4825 7251 11579 -1109 -1282 1961 C ATOM 1809 CG ASP B 57 34.155 1.954 -8.106 1.00 66.37 C ANISOU 1809 CG ASP B 57 5320 7572 12323 -1293 -1256 2215 C ATOM 1810 OD1 ASP B 57 34.621 3.004 -7.602 1.00 70.58 O ANISOU 1810 OD1 ASP B 57 5716 7824 13277 -1425 -1463 2195 O ATOM 1811 OD2 ASP B 57 33.270 1.944 -9.004 1.00 68.46 O ANISOU 1811 OD2 ASP B 57 5725 7947 12339 -1281 -1058 2407 O ATOM 0 H ASP B 57 34.805 -1.452 -5.712 1.00 59.79 H new ATOM 0 HA ASP B 57 34.980 1.252 -5.664 1.00 60.33 H new ATOM 0 HB2 ASP B 57 35.611 0.501 -7.776 1.00 62.26 H new ATOM 0 HB3 ASP B 57 34.198 -0.125 -7.986 1.00 62.26 H new ATOM 1812 N ASP B 58 32.834 1.249 -4.522 1.00 56.63 N ANISOU 1812 N ASP B 58 4812 5973 10732 -796 -1899 1341 N ATOM 1813 CA ASP B 58 31.502 1.383 -3.969 1.00 55.07 C ANISOU 1813 CA ASP B 58 4936 5670 10316 -681 -1919 1238 C ATOM 1814 C ASP B 58 30.637 2.405 -4.672 1.00 55.08 C ANISOU 1814 C ASP B 58 4921 5587 10420 -804 -1859 1445 C ATOM 1815 O ASP B 58 29.421 2.431 -4.417 1.00 52.46 O ANISOU 1815 O ASP B 58 4811 5232 9889 -705 -1824 1374 O ATOM 1816 CB ASP B 58 31.565 1.719 -2.481 1.00 56.83 C ANISOU 1816 CB ASP B 58 5351 5642 10598 -512 -2236 941 C ATOM 1817 CG ASP B 58 32.095 0.586 -1.655 1.00 57.31 C ANISOU 1817 CG ASP B 58 5569 5781 10425 -297 -2291 708 C ATOM 1818 OD1 ASP B 58 32.362 -0.498 -2.215 1.00 57.36 O ANISOU 1818 OD1 ASP B 58 5539 6026 10226 -286 -2078 770 O ATOM 1819 OD2 ASP B 58 32.247 0.788 -0.430 1.00 60.92 O ANISOU 1819 OD2 ASP B 58 6216 6045 10885 -109 -2564 455 O ATOM 0 H ASP B 58 33.457 1.599 -4.044 1.00 56.63 H new ATOM 0 HA ASP B 58 31.084 0.519 -4.107 1.00 55.07 H new ATOM 0 HB2 ASP B 58 32.127 2.499 -2.353 1.00 56.83 H new ATOM 0 HB3 ASP B 58 30.678 1.955 -2.168 1.00 56.83 H new ATOM 1820 N SER B 59 31.244 3.258 -5.516 1.00 56.88 N ANISOU 1820 N SER B 59 4896 5755 10961 -1005 -1840 1695 N ATOM 1821 CA SER B 59 30.490 4.182 -6.359 1.00 57.65 C ANISOU 1821 CA SER B 59 5008 5779 11117 -1097 -1759 1939 C ATOM 1822 C SER B 59 29.612 3.443 -7.382 1.00 54.71 C ANISOU 1822 C SER B 59 4717 5700 10369 -1040 -1482 2070 C ATOM 1823 O SER B 59 28.638 4.014 -7.893 1.00 54.61 O ANISOU 1823 O SER B 59 4799 5656 10292 -1018 -1453 2180 O ATOM 1824 CB SER B 59 31.397 5.171 -7.069 1.00 61.38 C ANISOU 1824 CB SER B 59 5226 6105 11988 -1327 -1744 2211 C ATOM 1825 OG SER B 59 31.859 4.711 -8.336 1.00 64.15 O ANISOU 1825 OG SER B 59 5412 6714 12247 -1416 -1436 2489 O ATOM 0 H SER B 59 32.097 3.311 -5.610 1.00 56.88 H new ATOM 0 HA SER B 59 29.908 4.678 -5.762 1.00 57.65 H new ATOM 0 HB2 SER B 59 30.920 6.007 -7.191 1.00 61.38 H new ATOM 0 HB3 SER B 59 32.162 5.361 -6.503 1.00 61.38 H new ATOM 0 HG SER B 59 32.221 3.959 -8.246 1.00 64.15 H new ATOM 1826 N HIS B 60 29.956 2.188 -7.686 1.00 51.97 N ANISOU 1826 N HIS B 60 4336 5626 9781 -995 -1309 2036 N ATOM 1827 CA HIS B 60 29.065 1.325 -8.489 1.00 49.19 C ANISOU 1827 CA HIS B 60 4089 5538 9061 -916 -1098 2070 C ATOM 1828 C HIS B 60 27.575 1.385 -8.011 1.00 46.79 C ANISOU 1828 C HIS B 60 3997 5179 8601 -806 -1151 1900 C ATOM 1829 O HIS B 60 26.653 1.365 -8.842 1.00 46.45 O ANISOU 1829 O HIS B 60 3985 5264 8398 -774 -1055 1977 O ATOM 1830 CB HIS B 60 29.548 -0.162 -8.519 1.00 47.43 C ANISOU 1830 CB HIS B 60 3874 5555 8589 -844 -959 1957 C ATOM 1831 CG HIS B 60 28.645 -1.039 -9.336 1.00 44.80 C ANISOU 1831 CG HIS B 60 3645 5456 7917 -777 -775 1959 C ATOM 1832 ND1 HIS B 60 28.615 -0.998 -10.718 1.00 46.60 N ANISOU 1832 ND1 HIS B 60 3794 5872 8040 -795 -625 2190 N ATOM 1833 CD2 HIS B 60 27.643 -1.876 -8.962 1.00 40.70 C ANISOU 1833 CD2 HIS B 60 3309 4987 7166 -692 -732 1748 C ATOM 1834 CE1 HIS B 60 27.629 -1.776 -11.155 1.00 46.05 C ANISOU 1834 CE1 HIS B 60 3845 5961 7689 -711 -546 2088 C ATOM 1835 NE2 HIS B 60 27.028 -2.334 -10.108 1.00 37.65 N ANISOU 1835 NE2 HIS B 60 2920 4813 6571 -672 -596 1821 N ATOM 0 H HIS B 60 30.692 1.816 -7.442 1.00 51.97 H new ATOM 0 HA HIS B 60 29.108 1.682 -9.390 1.00 49.19 H new ATOM 0 HB2 HIS B 60 30.447 -0.200 -8.881 1.00 47.43 H new ATOM 0 HB3 HIS B 60 29.593 -0.503 -7.612 1.00 47.43 H new ATOM 0 HD2 HIS B 60 27.413 -2.100 -8.089 1.00 40.70 H new ATOM 0 HE1 HIS B 60 27.398 -1.908 -12.046 1.00 46.05 H new ATOM 0 HE2 HIS B 60 26.369 -2.886 -10.140 1.00 37.65 H new ATOM 1836 N TRP B 61 27.336 1.477 -6.693 1.00 46.96 N ANISOU 1836 N TRP B 61 4155 5019 8667 -727 -1303 1660 N ATOM 1837 CA TRP B 61 25.969 1.361 -6.145 1.00 47.71 C ANISOU 1837 CA TRP B 61 4431 5093 8603 -611 -1290 1477 C ATOM 1838 C TRP B 61 25.204 2.697 -5.987 1.00 51.35 C ANISOU 1838 C TRP B 61 4922 5355 9232 -579 -1447 1498 C ATOM 1839 O TRP B 61 24.077 2.735 -5.429 1.00 52.20 O ANISOU 1839 O TRP B 61 5151 5437 9246 -463 -1444 1329 O ATOM 1840 CB TRP B 61 25.984 0.584 -4.850 1.00 46.70 C ANISOU 1840 CB TRP B 61 4491 4907 8344 -497 -1298 1216 C ATOM 1841 CG TRP B 61 26.889 -0.636 -4.942 1.00 42.74 C ANISOU 1841 CG TRP B 61 3986 4554 7697 -499 -1190 1195 C ATOM 1842 CD1 TRP B 61 28.180 -0.726 -4.502 1.00 41.88 C ANISOU 1842 CD1 TRP B 61 3827 4386 7697 -483 -1318 1166 C ATOM 1843 CD2 TRP B 61 26.581 -1.894 -5.549 1.00 35.52 C ANISOU 1843 CD2 TRP B 61 3106 3863 6525 -502 -961 1187 C ATOM 1844 NE1 TRP B 61 28.689 -1.986 -4.749 1.00 34.66 N ANISOU 1844 NE1 TRP B 61 2934 3652 6581 -448 -1175 1141 N ATOM 1845 CE2 TRP B 61 27.739 -2.714 -5.420 1.00 33.96 C ANISOU 1845 CE2 TRP B 61 2909 3727 6265 -468 -951 1163 C ATOM 1846 CE3 TRP B 61 25.435 -2.429 -6.167 1.00 37.44 C ANISOU 1846 CE3 TRP B 61 3373 4252 6599 -520 -786 1167 C ATOM 1847 CZ2 TRP B 61 27.772 -4.022 -5.870 1.00 32.99 C ANISOU 1847 CZ2 TRP B 61 2852 3784 5899 -443 -766 1134 C ATOM 1848 CZ3 TRP B 61 25.483 -3.729 -6.617 1.00 35.95 C ANISOU 1848 CZ3 TRP B 61 3230 4231 6196 -523 -613 1127 C ATOM 1849 CH2 TRP B 61 26.648 -4.519 -6.452 1.00 33.97 C ANISOU 1849 CH2 TRP B 61 3022 4017 5867 -480 -599 1116 C ATOM 0 H TRP B 61 27.947 1.606 -6.101 1.00 46.96 H new ATOM 0 HA TRP B 61 25.466 0.874 -6.816 1.00 47.71 H new ATOM 0 HB2 TRP B 61 26.286 1.159 -4.130 1.00 46.70 H new ATOM 0 HB3 TRP B 61 25.082 0.303 -4.629 1.00 46.70 H new ATOM 0 HD1 TRP B 61 28.650 -0.035 -4.093 1.00 41.88 H new ATOM 0 HE1 TRP B 61 29.469 -2.267 -4.521 1.00 34.66 H new ATOM 0 HE3 TRP B 61 24.665 -1.917 -6.269 1.00 37.44 H new ATOM 0 HZ2 TRP B 61 28.537 -4.543 -5.778 1.00 32.99 H new ATOM 0 HZ3 TRP B 61 24.738 -4.095 -7.037 1.00 35.95 H new ATOM 0 HH2 TRP B 61 26.644 -5.400 -6.749 1.00 33.97 H new ATOM 1850 N GLU B 62 25.797 3.745 -6.568 1.00 54.45 N ANISOU 1850 N GLU B 62 5200 5617 9869 -680 -1549 1720 N ATOM 1851 CA GLU B 62 25.214 5.083 -6.715 1.00 57.07 C ANISOU 1851 CA GLU B 62 5567 5741 10372 -658 -1695 1809 C ATOM 1852 C GLU B 62 23.799 5.137 -7.308 1.00 56.56 C ANISOU 1852 C GLU B 62 5556 5812 10122 -539 -1628 1805 C ATOM 1853 O GLU B 62 22.847 5.394 -6.564 1.00 58.04 O ANISOU 1853 O GLU B 62 5843 5924 10282 -403 -1706 1604 O ATOM 1854 CB GLU B 62 26.176 5.979 -7.534 1.00 59.23 C ANISOU 1854 CB GLU B 62 5710 5878 10914 -824 -1723 2119 C ATOM 0 H GLU B 62 26.587 3.692 -6.903 1.00 54.45 H new ATOM 0 HA GLU B 62 25.106 5.415 -5.810 1.00 57.07 H new ATOM 1855 N HIS B 63 23.612 4.896 -8.609 1.00 56.39 N ANISOU 1855 N HIS B 63 5465 5998 9962 -559 -1494 1997 N ATOM 1856 CA HIS B 63 22.229 4.971 -9.159 1.00 56.33 C ANISOU 1856 CA HIS B 63 5486 6123 9791 -412 -1490 1943 C ATOM 1857 C HIS B 63 21.341 3.757 -8.850 1.00 52.67 C ANISOU 1857 C HIS B 63 5006 5891 9114 -351 -1364 1670 C ATOM 1858 O HIS B 63 20.284 3.635 -9.481 1.00 53.35 O ANISOU 1858 O HIS B 63 5049 6139 9081 -253 -1352 1610 O ATOM 1859 CB HIS B 63 22.176 5.180 -10.687 1.00 57.65 C ANISOU 1859 CB HIS B 63 5628 6431 9844 -389 -1433 2213 C ATOM 1860 CG HIS B 63 22.922 6.386 -11.160 1.00 61.92 C ANISOU 1860 CG HIS B 63 6207 6733 10585 -456 -1494 2531 C ATOM 1861 ND1 HIS B 63 22.453 7.669 -10.981 1.00 62.93 N ANISOU 1861 ND1 HIS B 63 6441 6589 10877 -375 -1678 2582 N ATOM 1862 CD2 HIS B 63 24.101 6.498 -11.816 1.00 64.61 C ANISOU 1862 CD2 HIS B 63 6493 7051 11003 -602 -1370 2821 C ATOM 1863 CE1 HIS B 63 23.328 8.519 -11.486 1.00 68.52 C ANISOU 1863 CE1 HIS B 63 7177 7085 11772 -493 -1666 2898 C ATOM 1864 NE2 HIS B 63 24.330 7.833 -12.007 1.00 67.53 N ANISOU 1864 NE2 HIS B 63 6938 7116 11604 -639 -1463 3053 N ATOM 0 H HIS B 63 24.229 4.697 -9.174 1.00 56.39 H new ATOM 0 HA HIS B 63 21.881 5.749 -8.696 1.00 56.33 H new ATOM 0 HB2 HIS B 63 22.539 4.394 -11.125 1.00 57.65 H new ATOM 0 HB3 HIS B 63 21.249 5.256 -10.962 1.00 57.65 H new ATOM 0 HD2 HIS B 63 24.652 5.799 -12.086 1.00 64.61 H new ATOM 0 HE1 HIS B 63 23.252 9.446 -11.477 1.00 68.52 H new ATOM 0 HE2 HIS B 63 25.015 8.171 -12.402 1.00 67.53 H new ATOM 1865 N LEU B 64 21.761 2.854 -7.955 1.00 49.55 N ANISOU 1865 N LEU B 64 4644 5505 8676 -404 -1273 1508 N ATOM 1866 CA LEU B 64 20.974 1.616 -7.661 1.00 46.42 C ANISOU 1866 CA LEU B 64 4256 5288 8093 -381 -1102 1273 C ATOM 1867 C LEU B 64 20.441 1.550 -6.253 1.00 43.34 C ANISOU 1867 C LEU B 64 3978 4764 7723 -309 -1080 1032 C ATOM 1868 O LEU B 64 21.086 1.993 -5.342 1.00 41.76 O ANISOU 1868 O LEU B 64 3889 4362 7615 -283 -1183 1013 O ATOM 1869 CB LEU B 64 21.853 0.370 -7.810 1.00 45.37 C ANISOU 1869 CB LEU B 64 4134 5281 7822 -473 -951 1286 C ATOM 1870 CG LEU B 64 22.774 0.384 -9.018 1.00 47.55 C ANISOU 1870 CG LEU B 64 4322 5673 8071 -535 -939 1541 C ATOM 1871 CD1 LEU B 64 23.770 -0.729 -8.952 1.00 41.29 C ANISOU 1871 CD1 LEU B 64 3545 4972 7171 -590 -817 1531 C ATOM 1872 CD2 LEU B 64 21.933 0.348 -10.317 1.00 49.67 C ANISOU 1872 CD2 LEU B 64 4521 6145 8205 -479 -918 1602 C ATOM 0 H LEU B 64 22.490 2.927 -7.505 1.00 49.55 H new ATOM 0 HA LEU B 64 20.238 1.645 -8.293 1.00 46.42 H new ATOM 0 HB2 LEU B 64 22.391 0.271 -7.009 1.00 45.37 H new ATOM 0 HB3 LEU B 64 21.280 -0.411 -7.865 1.00 45.37 H new ATOM 0 HG LEU B 64 23.286 1.208 -9.018 1.00 47.55 H new ATOM 0 HD11 LEU B 64 24.344 -0.697 -9.733 1.00 41.29 H new ATOM 0 HD12 LEU B 64 24.309 -0.634 -8.151 1.00 41.29 H new ATOM 0 HD13 LEU B 64 23.304 -1.579 -8.929 1.00 41.29 H new ATOM 0 HD21 LEU B 64 22.524 0.357 -11.086 1.00 49.67 H new ATOM 0 HD22 LEU B 64 21.396 -0.459 -10.332 1.00 49.67 H new ATOM 0 HD23 LEU B 64 21.351 1.124 -10.348 1.00 49.67 H new ATOM 1873 N PRO B 65 19.319 0.833 -6.038 1.00 41.68 N ANISOU 1873 N PRO B 65 3746 4674 7414 -280 -919 832 N ATOM 1874 CA PRO B 65 18.763 0.693 -4.668 1.00 40.34 C ANISOU 1874 CA PRO B 65 3707 4387 7232 -198 -820 618 C ATOM 1875 C PRO B 65 19.347 -0.357 -3.781 1.00 39.13 C ANISOU 1875 C PRO B 65 3742 4180 6942 -224 -657 536 C ATOM 1876 O PRO B 65 18.736 -0.719 -2.747 1.00 41.18 O ANISOU 1876 O PRO B 65 4138 4375 7132 -152 -489 366 O ATOM 1877 CB PRO B 65 17.321 0.313 -4.905 1.00 40.34 C ANISOU 1877 CB PRO B 65 3561 4547 7220 -185 -668 450 C ATOM 1878 CG PRO B 65 17.253 -0.232 -6.294 1.00 41.39 C ANISOU 1878 CG PRO B 65 3526 4896 7302 -279 -665 523 C ATOM 1879 CD PRO B 65 18.435 0.273 -7.068 1.00 41.95 C ANISOU 1879 CD PRO B 65 3621 4943 7373 -304 -835 785 C ATOM 0 HA PRO B 65 18.946 1.523 -4.200 1.00 40.34 H new ATOM 0 HB2 PRO B 65 17.027 -0.348 -4.259 1.00 40.34 H new ATOM 0 HB3 PRO B 65 16.740 1.083 -4.807 1.00 40.34 H new ATOM 0 HG2 PRO B 65 17.253 -1.202 -6.275 1.00 41.39 H new ATOM 0 HG3 PRO B 65 16.428 0.043 -6.723 1.00 41.39 H new ATOM 0 HD2 PRO B 65 18.870 -0.441 -7.559 1.00 41.95 H new ATOM 0 HD3 PRO B 65 18.174 0.945 -7.717 1.00 41.95 H new ATOM 1880 N TYR B 66 20.466 -0.936 -4.173 1.00 36.09 N ANISOU 1880 N TYR B 66 3982 3957 5772 187 -665 -532 N ATOM 1881 CA TYR B 66 21.063 -1.893 -3.287 1.00 35.22 C ANISOU 1881 CA TYR B 66 3969 3931 5482 172 -698 -677 C ATOM 1882 C TYR B 66 22.569 -1.689 -3.317 1.00 36.27 C ANISOU 1882 C TYR B 66 4033 4001 5747 96 -787 -618 C ATOM 1883 O TYR B 66 23.086 -0.954 -4.148 1.00 37.87 O ANISOU 1883 O TYR B 66 4069 4133 6184 63 -799 -381 O ATOM 1884 CB TYR B 66 20.613 -3.307 -3.668 1.00 33.23 C ANISOU 1884 CB TYR B 66 3754 3844 5028 177 -665 -624 C ATOM 1885 CG TYR B 66 20.572 -3.532 -5.110 1.00 30.17 C ANISOU 1885 CG TYR B 66 3341 3528 4593 217 -679 -500 C ATOM 1886 CD1 TYR B 66 21.735 -3.824 -5.797 1.00 29.02 C ANISOU 1886 CD1 TYR B 66 3184 3491 4351 293 -667 -427 C ATOM 1887 CD2 TYR B 66 19.368 -3.389 -5.848 1.00 31.62 C ANISOU 1887 CD2 TYR B 66 3495 3729 4788 243 -705 -425 C ATOM 1888 CE1 TYR B 66 21.720 -4.021 -7.173 1.00 28.68 C ANISOU 1888 CE1 TYR B 66 3139 3628 4129 475 -667 -325 C ATOM 1889 CE2 TYR B 66 19.348 -3.621 -7.236 1.00 31.38 C ANISOU 1889 CE2 TYR B 66 3474 3836 4613 361 -770 -356 C ATOM 1890 CZ TYR B 66 20.573 -3.881 -7.879 1.00 29.29 C ANISOU 1890 CZ TYR B 66 3227 3734 4165 517 -733 -318 C ATOM 1891 OH TYR B 66 20.633 -4.135 -9.205 1.00 34.39 O ANISOU 1891 OH TYR B 66 3907 4624 4536 775 -778 -269 O ATOM 0 H TYR B 66 20.877 -0.794 -4.915 1.00 36.09 H new ATOM 0 HA TYR B 66 20.772 -1.767 -2.370 1.00 35.22 H new ATOM 0 HB2 TYR B 66 21.215 -3.951 -3.264 1.00 33.23 H new ATOM 0 HB3 TYR B 66 19.732 -3.470 -3.296 1.00 33.23 H new ATOM 0 HD1 TYR B 66 22.538 -3.890 -5.333 1.00 29.02 H new ATOM 0 HD2 TYR B 66 18.586 -3.140 -5.411 1.00 31.62 H new ATOM 0 HE1 TYR B 66 22.506 -4.251 -7.613 1.00 28.68 H new ATOM 0 HE2 TYR B 66 18.550 -3.603 -7.714 1.00 31.38 H new ATOM 0 HH TYR B 66 20.125 -3.606 -9.615 1.00 34.39 H new ATOM 1892 N GLY B 67 23.245 -2.280 -2.363 1.00 37.57 N ANISOU 1892 N GLY B 67 4263 4206 5802 76 -852 -751 N ATOM 1893 CA GLY B 67 24.672 -2.143 -2.292 1.00 38.62 C ANISOU 1893 CA GLY B 67 4290 4284 6099 -12 -966 -644 C ATOM 1894 C GLY B 67 25.075 -0.884 -1.517 1.00 41.75 C ANISOU 1894 C GLY B 67 4662 4373 6829 -77 -1253 -794 C ATOM 1895 O GLY B 67 24.225 -0.076 -1.186 1.00 43.72 O ANISOU 1895 O GLY B 67 5005 4457 7147 4 -1328 -1006 O ATOM 0 H GLY B 67 22.895 -2.766 -1.746 1.00 37.57 H new ATOM 0 HA2 GLY B 67 25.053 -2.925 -1.862 1.00 38.62 H new ATOM 0 HA3 GLY B 67 25.040 -2.105 -3.189 1.00 38.62 H new ATOM 1896 N PRO B 68 26.373 -0.749 -1.214 1.00 42.43 N ANISOU 1896 N PRO B 68 4619 4355 7146 -199 -1462 -693 N ATOM 1897 CA PRO B 68 27.370 -1.780 -1.459 1.00 41.21 C ANISOU 1897 CA PRO B 68 4357 4437 6863 -231 -1341 -440 C ATOM 1898 C PRO B 68 27.141 -2.880 -0.477 1.00 40.73 C ANISOU 1898 C PRO B 68 4500 4584 6388 -154 -1284 -704 C ATOM 1899 O PRO B 68 26.301 -2.709 0.416 1.00 42.26 O ANISOU 1899 O PRO B 68 4873 4780 6403 -56 -1341 -1021 O ATOM 1900 CB PRO B 68 28.722 -1.063 -1.127 1.00 44.61 C ANISOU 1900 CB PRO B 68 4548 4628 7774 -409 -1678 -245 C ATOM 1901 CG PRO B 68 28.352 0.027 -0.144 1.00 46.55 C ANISOU 1901 CG PRO B 68 4942 4496 8249 -438 -2093 -676 C ATOM 1902 CD PRO B 68 26.920 0.398 -0.442 1.00 46.85 C ANISOU 1902 CD PRO B 68 5150 4518 8129 -287 -1911 -875 C ATOM 0 HA PRO B 68 27.349 -2.150 -2.355 1.00 41.21 H new ATOM 0 HB2 PRO B 68 29.363 -1.681 -0.742 1.00 44.61 H new ATOM 0 HB3 PRO B 68 29.129 -0.693 -1.926 1.00 44.61 H new ATOM 0 HG2 PRO B 68 28.446 -0.285 0.770 1.00 46.55 H new ATOM 0 HG3 PRO B 68 28.936 0.795 -0.243 1.00 46.55 H new ATOM 0 HD2 PRO B 68 26.418 0.542 0.375 1.00 46.85 H new ATOM 0 HD3 PRO B 68 26.870 1.221 -0.954 1.00 46.85 H new ATOM 1903 N PHE B 69 27.904 -3.973 -0.579 1.00 39.20 N ANISOU 1903 N PHE B 69 4249 4588 6055 -147 -1167 -529 N ATOM 1904 CA PHE B 69 27.794 -5.078 0.373 1.00 38.89 C ANISOU 1904 CA PHE B 69 4327 4735 5715 -89 -1123 -669 C ATOM 1905 C PHE B 69 29.036 -5.251 1.281 1.00 40.03 C ANISOU 1905 C PHE B 69 4385 4925 5899 -162 -1308 -629 C ATOM 1906 O PHE B 69 30.161 -5.151 0.834 1.00 41.29 O ANISOU 1906 O PHE B 69 4351 5046 6291 -249 -1356 -352 O ATOM 1907 CB PHE B 69 27.450 -6.365 -0.416 1.00 35.38 C ANISOU 1907 CB PHE B 69 3913 4421 5108 7 -890 -549 C ATOM 1908 CG PHE B 69 26.193 -6.219 -1.272 1.00 36.33 C ANISOU 1908 CG PHE B 69 4112 4491 5199 67 -804 -604 C ATOM 1909 CD1 PHE B 69 24.917 -6.474 -0.737 1.00 31.61 C ANISOU 1909 CD1 PHE B 69 3589 3906 4513 91 -787 -716 C ATOM 1910 CD2 PHE B 69 26.278 -5.817 -2.615 1.00 33.38 C ANISOU 1910 CD2 PHE B 69 3689 4112 4881 134 -737 -465 C ATOM 1911 CE1 PHE B 69 23.781 -6.282 -1.489 1.00 33.04 C ANISOU 1911 CE1 PHE B 69 3799 4030 4722 118 -752 -719 C ATOM 1912 CE2 PHE B 69 25.138 -5.638 -3.370 1.00 32.97 C ANISOU 1912 CE2 PHE B 69 3701 4038 4787 189 -704 -514 C ATOM 1913 CZ PHE B 69 23.871 -5.918 -2.812 1.00 32.31 C ANISOU 1913 CZ PHE B 69 3701 3904 4670 154 -733 -656 C ATOM 0 H PHE B 69 28.492 -4.092 -1.195 1.00 39.20 H new ATOM 0 HA PHE B 69 27.081 -4.874 0.998 1.00 38.89 H new ATOM 0 HB2 PHE B 69 28.199 -6.599 -0.986 1.00 35.38 H new ATOM 0 HB3 PHE B 69 27.328 -7.098 0.207 1.00 35.38 H new ATOM 0 HD1 PHE B 69 24.840 -6.777 0.139 1.00 31.61 H new ATOM 0 HD2 PHE B 69 27.112 -5.670 -2.999 1.00 33.38 H new ATOM 0 HE1 PHE B 69 22.945 -6.399 -1.099 1.00 33.04 H new ATOM 0 HE2 PHE B 69 25.203 -5.333 -4.246 1.00 32.97 H new ATOM 0 HZ PHE B 69 23.104 -5.857 -3.335 1.00 32.31 H new ATOM 1914 N GLU B 70 28.797 -5.491 2.577 1.00 42.14 N ANISOU 1914 N GLU B 70 4762 5330 5918 -87 -1411 -853 N ATOM 1915 CA GLU B 70 29.843 -5.587 3.585 1.00 44.36 C ANISOU 1915 CA GLU B 70 4988 5695 6171 -124 -1653 -873 C ATOM 1916 C GLU B 70 30.842 -6.667 3.257 1.00 42.70 C ANISOU 1916 C GLU B 70 4602 5608 6013 -190 -1502 -518 C ATOM 1917 O GLU B 70 32.043 -6.503 3.479 1.00 44.00 O ANISOU 1917 O GLU B 70 4604 5743 6371 -306 -1701 -356 O ATOM 1918 CB GLU B 70 29.223 -5.869 4.955 1.00 46.27 C ANISOU 1918 CB GLU B 70 5374 6226 5979 97 -1690 -1117 C ATOM 0 H GLU B 70 28.005 -5.604 2.893 1.00 42.14 H new ATOM 0 HA GLU B 70 30.312 -4.738 3.600 1.00 44.36 H new ATOM 1919 N ASP B 71 30.341 -7.790 2.750 1.00 39.17 N ANISOU 1919 N ASP B 71 4178 5268 5435 -97 -1195 -393 N ATOM 1920 CA ASP B 71 31.160 -8.965 2.526 1.00 38.87 C ANISOU 1920 CA ASP B 71 4024 5328 5414 -65 -1054 -125 C ATOM 1921 C ASP B 71 30.439 -9.968 1.587 1.00 36.80 C ANISOU 1921 C ASP B 71 3848 5011 5123 67 -834 -101 C ATOM 1922 O ASP B 71 29.275 -9.748 1.137 1.00 32.82 O ANISOU 1922 O ASP B 71 3462 4413 4592 92 -804 -254 O ATOM 1923 CB ASP B 71 31.552 -9.601 3.871 1.00 39.54 C ANISOU 1923 CB ASP B 71 4048 5631 5345 -56 -1134 -79 C ATOM 1924 CG ASP B 71 30.354 -10.078 4.679 1.00 42.48 C ANISOU 1924 CG ASP B 71 4492 6170 5477 62 -1055 -166 C ATOM 1925 OD1 ASP B 71 29.197 -10.139 4.137 1.00 39.40 O ANISOU 1925 OD1 ASP B 71 4183 5680 5106 106 -934 -226 O ATOM 1926 OD2 ASP B 71 30.563 -10.463 5.852 1.00 44.22 O ANISOU 1926 OD2 ASP B 71 4636 6666 5498 136 -1106 -88 O ATOM 0 H ASP B 71 29.516 -7.887 2.528 1.00 39.17 H new ATOM 0 HA ASP B 71 31.979 -8.701 2.078 1.00 38.87 H new ATOM 0 HB2 ASP B 71 32.144 -10.352 3.707 1.00 39.54 H new ATOM 0 HB3 ASP B 71 32.052 -8.955 4.394 1.00 39.54 H new ATOM 1927 N GLU B 72 31.131 -11.033 1.217 1.00 35.54 N ANISOU 1927 N GLU B 72 3634 4871 4998 179 -734 70 N ATOM 1928 CA GLU B 72 30.513 -11.954 0.283 1.00 35.93 C ANISOU 1928 CA GLU B 72 3813 4782 5056 353 -664 -10 C ATOM 1929 C GLU B 72 29.195 -12.485 0.775 1.00 33.19 C ANISOU 1929 C GLU B 72 3516 4328 4766 290 -736 -103 C ATOM 1930 O GLU B 72 28.305 -12.685 -0.020 1.00 32.29 O ANISOU 1930 O GLU B 72 3517 4040 4710 347 -792 -238 O ATOM 1931 CB GLU B 72 31.386 -13.159 -0.070 1.00 38.55 C ANISOU 1931 CB GLU B 72 4121 5097 5428 566 -598 114 C ATOM 1932 CG GLU B 72 32.641 -12.753 -0.728 1.00 44.90 C ANISOU 1932 CG GLU B 72 4817 6069 6173 722 -466 326 C ATOM 1933 CD GLU B 72 33.547 -13.884 -1.046 1.00 49.44 C ANISOU 1933 CD GLU B 72 5367 6676 6739 1023 -360 463 C ATOM 1934 OE1 GLU B 72 34.681 -13.589 -1.536 1.00 55.58 O ANISOU 1934 OE1 GLU B 72 5979 7675 7465 1208 -198 768 O ATOM 1935 OE2 GLU B 72 33.117 -15.047 -0.817 1.00 49.79 O ANISOU 1935 OE2 GLU B 72 5520 6515 6882 1093 -450 321 O ATOM 0 H GLU B 72 31.924 -11.235 1.481 1.00 35.54 H new ATOM 0 HA GLU B 72 30.384 -11.412 -0.511 1.00 35.93 H new ATOM 0 HB2 GLU B 72 31.590 -13.657 0.737 1.00 38.55 H new ATOM 0 HB3 GLU B 72 30.893 -13.755 -0.655 1.00 38.55 H new ATOM 0 HG2 GLU B 72 32.428 -12.281 -1.548 1.00 44.90 H new ATOM 0 HG3 GLU B 72 33.109 -12.127 -0.154 1.00 44.90 H new ATOM 1936 N ASP B 73 29.102 -12.780 2.072 1.00 32.00 N ANISOU 1936 N ASP B 73 3846 4418 3891 444 -234 96 N ATOM 1937 CA ASP B 73 27.873 -13.339 2.639 1.00 30.04 C ANISOU 1937 CA ASP B 73 3690 4076 3648 433 -233 125 C ATOM 1938 C ASP B 73 26.698 -12.390 2.325 1.00 28.30 C ANISOU 1938 C ASP B 73 3457 3819 3475 344 -205 155 C ATOM 1939 O ASP B 73 25.605 -12.833 1.917 1.00 27.30 O ANISOU 1939 O ASP B 73 3378 3637 3356 319 -193 179 O ATOM 1940 CB ASP B 73 28.032 -13.576 4.146 1.00 31.19 C ANISOU 1940 CB ASP B 73 3875 4206 3770 470 -254 117 C ATOM 1941 CG ASP B 73 28.853 -14.833 4.463 1.00 35.74 C ANISOU 1941 CG ASP B 73 4507 4787 4285 574 -291 89 C ATOM 1942 OD1 ASP B 73 29.258 -15.541 3.536 1.00 33.92 O ANISOU 1942 OD1 ASP B 73 4286 4572 4029 621 -302 76 O ATOM 1943 OD2 ASP B 73 29.024 -15.119 5.679 1.00 37.44 O ANISOU 1943 OD2 ASP B 73 4768 4983 4472 614 -313 81 O ATOM 0 H ASP B 73 29.737 -12.664 2.640 1.00 32.00 H new ATOM 0 HA ASP B 73 27.687 -14.202 2.237 1.00 30.04 H new ATOM 0 HB2 ASP B 73 28.461 -12.804 4.548 1.00 31.19 H new ATOM 0 HB3 ASP B 73 27.155 -13.656 4.552 1.00 31.19 H new ATOM 1944 N ALA B 74 26.938 -11.094 2.466 1.00 26.71 N ANISOU 1944 N ALA B 74 3195 3651 3300 300 -198 151 N ATOM 1945 CA ALA B 74 25.854 -10.131 2.321 1.00 26.09 C ANISOU 1945 CA ALA B 74 3118 3537 3257 236 -181 173 C ATOM 1946 C ALA B 74 25.365 -10.068 0.891 1.00 26.51 C ANISOU 1946 C ALA B 74 3168 3578 3325 207 -166 186 C ATOM 1947 O ALA B 74 24.153 -9.876 0.648 1.00 24.39 O ANISOU 1947 O ALA B 74 2922 3268 3074 177 -156 203 O ATOM 1948 CB ALA B 74 26.310 -8.707 2.806 1.00 27.86 C ANISOU 1948 CB ALA B 74 3298 3787 3497 200 -188 163 C ATOM 0 H ALA B 74 27.708 -10.754 2.643 1.00 26.71 H new ATOM 0 HA ALA B 74 25.117 -10.428 2.878 1.00 26.09 H new ATOM 0 HB1 ALA B 74 25.577 -8.080 2.703 1.00 27.86 H new ATOM 0 HB2 ALA B 74 26.568 -8.750 3.740 1.00 27.86 H new ATOM 0 HB3 ALA B 74 27.066 -8.411 2.275 1.00 27.86 H new ATOM 1949 N PHE B 75 26.308 -10.216 -0.051 1.00 26.54 N ANISOU 1949 N PHE B 75 3139 3629 3316 218 -164 175 N ATOM 1950 CA PHE B 75 26.024 -10.172 -1.431 1.00 26.12 C ANISOU 1950 CA PHE B 75 3085 3571 3269 197 -150 185 C ATOM 1951 C PHE B 75 25.302 -11.417 -1.839 1.00 26.22 C ANISOU 1951 C PHE B 75 3152 3537 3271 229 -154 193 C ATOM 1952 O PHE B 75 24.255 -11.332 -2.517 1.00 28.54 O ANISOU 1952 O PHE B 75 3469 3791 3583 199 -146 209 O ATOM 1953 CB PHE B 75 27.302 -10.005 -2.258 1.00 27.76 C ANISOU 1953 CB PHE B 75 3236 3854 3455 201 -143 169 C ATOM 1954 CG PHE B 75 27.051 -9.974 -3.698 1.00 27.97 C ANISOU 1954 CG PHE B 75 3268 3878 3481 183 -127 180 C ATOM 1955 CD1 PHE B 75 26.463 -8.870 -4.275 1.00 32.95 C ANISOU 1955 CD1 PHE B 75 3906 4480 4133 119 -117 198 C ATOM 1956 CD2 PHE B 75 27.282 -11.034 -4.474 1.00 25.47 C ANISOU 1956 CD2 PHE B 75 2964 3575 3138 236 -129 173 C ATOM 1957 CE1 PHE B 75 26.161 -8.860 -5.671 1.00 31.92 C ANISOU 1957 CE1 PHE B 75 3790 4339 3996 107 -104 209 C ATOM 1958 CE2 PHE B 75 27.000 -11.022 -5.844 1.00 27.76 C ANISOU 1958 CE2 PHE B 75 3264 3857 3424 224 -115 183 C ATOM 1959 CZ PHE B 75 26.445 -9.912 -6.434 1.00 28.35 C ANISOU 1959 CZ PHE B 75 3342 3908 3521 157 -102 202 C ATOM 0 H PHE B 75 27.139 -10.346 0.129 1.00 26.54 H new ATOM 0 HA PHE B 75 25.459 -9.402 -1.601 1.00 26.12 H new ATOM 0 HB2 PHE B 75 27.747 -9.184 -1.995 1.00 27.76 H new ATOM 0 HB3 PHE B 75 27.909 -10.734 -2.056 1.00 27.76 H new ATOM 0 HD1 PHE B 75 26.262 -8.127 -3.753 1.00 32.95 H new ATOM 0 HD2 PHE B 75 27.641 -11.803 -4.093 1.00 25.47 H new ATOM 0 HE1 PHE B 75 25.762 -8.111 -6.050 1.00 31.92 H new ATOM 0 HE2 PHE B 75 27.190 -11.772 -6.360 1.00 27.76 H new ATOM 0 HZ PHE B 75 26.272 -9.897 -7.348 1.00 28.35 H new ATOM 1960 N ILE B 76 25.826 -12.570 -1.455 1.00 26.20 N ANISOU 1960 N ILE B 76 3180 3539 3236 291 -170 181 N ATOM 1961 CA ILE B 76 25.123 -13.852 -1.747 1.00 25.97 C ANISOU 1961 CA ILE B 76 3229 3450 3188 314 -181 190 C ATOM 1962 C ILE B 76 23.709 -13.854 -1.166 1.00 25.12 C ANISOU 1962 C ILE B 76 3160 3283 3101 261 -174 213 C ATOM 1963 O ILE B 76 22.764 -14.367 -1.838 1.00 25.66 O ANISOU 1963 O ILE B 76 3266 3310 3173 236 -174 226 O ATOM 1964 CB ILE B 76 25.932 -15.044 -1.303 1.00 28.42 C ANISOU 1964 CB ILE B 76 3587 3761 3447 395 -210 171 C ATOM 1965 CG1 ILE B 76 27.197 -15.240 -2.220 1.00 29.98 C ANISOU 1965 CG1 ILE B 76 3741 4034 3614 460 -217 142 C ATOM 1966 CG2 ILE B 76 25.051 -16.377 -1.282 1.00 28.48 C ANISOU 1966 CG2 ILE B 76 3708 3682 3430 402 -229 187 C ATOM 1967 CD1 ILE B 76 28.202 -16.160 -1.599 1.00 36.05 C ANISOU 1967 CD1 ILE B 76 4539 4829 4327 560 -251 110 C ATOM 0 H ILE B 76 26.570 -12.652 -1.032 1.00 26.20 H new ATOM 0 HA ILE B 76 25.031 -13.927 -2.710 1.00 25.97 H new ATOM 0 HB ILE B 76 26.231 -14.868 -0.397 1.00 28.42 H new ATOM 0 HG12 ILE B 76 26.921 -15.596 -3.079 1.00 29.98 H new ATOM 0 HG13 ILE B 76 27.609 -14.379 -2.389 1.00 29.98 H new ATOM 0 HG21 ILE B 76 25.599 -17.123 -0.993 1.00 28.48 H new ATOM 0 HG22 ILE B 76 24.309 -16.265 -0.668 1.00 28.48 H new ATOM 0 HG23 ILE B 76 24.709 -16.553 -2.173 1.00 28.48 H new ATOM 0 HD11 ILE B 76 28.964 -16.255 -2.192 1.00 36.05 H new ATOM 0 HD12 ILE B 76 28.497 -15.793 -0.751 1.00 36.05 H new ATOM 0 HD13 ILE B 76 27.797 -17.029 -1.451 1.00 36.05 H new ATOM 1968 N THR B 77 23.522 -13.293 0.010 1.00 22.83 N ANISOU 1968 N THR B 77 2856 2995 2820 244 -169 216 N ATOM 1969 CA THR B 77 22.189 -13.194 0.634 1.00 22.76 C ANISOU 1969 CA THR B 77 2868 2954 2824 195 -157 233 C ATOM 1970 C THR B 77 21.241 -12.373 -0.296 1.00 23.25 C ANISOU 1970 C THR B 77 2893 3018 2920 150 -144 239 C ATOM 1971 O THR B 77 20.156 -12.827 -0.633 1.00 21.61 O ANISOU 1971 O THR B 77 2706 2788 2714 118 -140 248 O ATOM 1972 CB THR B 77 22.265 -12.566 2.040 1.00 22.37 C ANISOU 1972 CB THR B 77 2803 2919 2775 195 -154 231 C ATOM 1973 OG1 THR B 77 23.035 -13.440 2.878 1.00 24.15 O ANISOU 1973 OG1 THR B 77 3075 3136 2962 243 -171 224 O ATOM 1974 CG2 THR B 77 20.836 -12.435 2.578 1.00 24.56 C ANISOU 1974 CG2 THR B 77 3089 3183 3058 148 -136 245 C ATOM 0 H THR B 77 24.156 -12.954 0.482 1.00 22.83 H new ATOM 0 HA THR B 77 21.832 -14.089 0.744 1.00 22.76 H new ATOM 0 HB THR B 77 22.683 -11.691 2.018 1.00 22.37 H new ATOM 0 HG1 THR B 77 23.851 -13.351 2.701 1.00 24.15 H new ATOM 0 HG21 THR B 77 20.858 -12.041 3.464 1.00 24.56 H new ATOM 0 HG22 THR B 77 20.318 -11.868 1.986 1.00 24.56 H new ATOM 0 HG23 THR B 77 20.426 -13.313 2.625 1.00 24.56 H new ATOM 1975 N TRP B 78 21.733 -11.248 -0.787 1.00 23.75 N ANISOU 1975 N TRP B 78 2910 3110 3002 148 -142 231 N ATOM 1976 CA TRP B 78 20.895 -10.359 -1.563 1.00 25.19 C ANISOU 1976 CA TRP B 78 3072 3288 3207 117 -137 233 C ATOM 1977 C TRP B 78 20.535 -11.046 -2.895 1.00 25.68 C ANISOU 1977 C TRP B 78 3155 3333 3269 115 -139 236 C ATOM 1978 O TRP B 78 19.355 -11.019 -3.420 1.00 22.49 O ANISOU 1978 O TRP B 78 2753 2914 2875 93 -140 238 O ATOM 1979 CB TRP B 78 21.636 -9.057 -1.816 1.00 25.41 C ANISOU 1979 CB TRP B 78 3070 3337 3244 109 -140 226 C ATOM 1980 CG TRP B 78 20.935 -8.261 -2.796 1.00 23.49 C ANISOU 1980 CG TRP B 78 2830 3080 3013 90 -142 228 C ATOM 1981 CD1 TRP B 78 19.867 -7.437 -2.552 1.00 26.21 C ANISOU 1981 CD1 TRP B 78 3178 3413 3366 83 -150 222 C ATOM 1982 CD2 TRP B 78 21.174 -8.218 -4.186 1.00 26.44 C ANISOU 1982 CD2 TRP B 78 3209 3452 3384 84 -140 231 C ATOM 1983 NE1 TRP B 78 19.463 -6.830 -3.721 1.00 23.34 N ANISOU 1983 NE1 TRP B 78 2827 3034 3005 77 -157 221 N ATOM 1984 CE2 TRP B 78 20.257 -7.275 -4.738 1.00 26.24 C ANISOU 1984 CE2 TRP B 78 3198 3404 3366 72 -149 229 C ATOM 1985 CE3 TRP B 78 22.095 -8.857 -5.045 1.00 30.15 C ANISOU 1985 CE3 TRP B 78 3675 3940 3839 96 -132 233 C ATOM 1986 CZ2 TRP B 78 20.153 -7.030 -6.129 1.00 26.70 C ANISOU 1986 CZ2 TRP B 78 3274 3449 3418 67 -151 232 C ATOM 1987 CZ3 TRP B 78 22.066 -8.536 -6.424 1.00 28.66 C ANISOU 1987 CZ3 TRP B 78 3496 3747 3645 86 -129 237 C ATOM 1988 CH2 TRP B 78 21.058 -7.656 -6.944 1.00 31.47 C ANISOU 1988 CH2 TRP B 78 3875 4070 4010 69 -139 239 C ATOM 0 H TRP B 78 22.545 -10.983 -0.682 1.00 23.75 H new ATOM 0 HA TRP B 78 20.079 -10.160 -1.078 1.00 25.19 H new ATOM 0 HB2 TRP B 78 21.720 -8.560 -0.987 1.00 25.41 H new ATOM 0 HB3 TRP B 78 22.535 -9.245 -2.127 1.00 25.41 H new ATOM 0 HD1 TRP B 78 19.473 -7.307 -1.720 1.00 26.21 H new ATOM 0 HE1 TRP B 78 18.819 -6.265 -3.797 1.00 23.34 H new ATOM 0 HE3 TRP B 78 22.706 -9.474 -4.713 1.00 30.15 H new ATOM 0 HZ2 TRP B 78 19.498 -6.468 -6.474 1.00 26.70 H new ATOM 0 HZ3 TRP B 78 22.704 -8.897 -6.996 1.00 28.66 H new ATOM 0 HH2 TRP B 78 21.018 -7.507 -7.861 1.00 31.47 H new ATOM 1989 N LEU B 79 21.520 -11.730 -3.441 1.00 25.14 N ANISOU 1989 N LEU B 79 3097 3271 3182 145 -143 234 N ATOM 1990 CA LEU B 79 21.303 -12.487 -4.666 1.00 26.23 C ANISOU 1990 CA LEU B 79 3263 3390 3311 155 -150 235 C ATOM 1991 C LEU B 79 20.344 -13.622 -4.548 1.00 25.96 C ANISOU 1991 C LEU B 79 3281 3313 3269 141 -160 242 C ATOM 1992 O LEU B 79 19.491 -13.779 -5.370 1.00 24.92 O ANISOU 1992 O LEU B 79 3159 3163 3145 119 -165 243 O ATOM 1993 CB LEU B 79 22.585 -13.122 -5.167 1.00 28.45 C ANISOU 1993 CB LEU B 79 3550 3695 3562 206 -155 225 C ATOM 1994 CG LEU B 79 23.523 -12.423 -6.013 1.00 30.44 C ANISOU 1994 CG LEU B 79 3759 3997 3809 213 -144 219 C ATOM 1995 CD1 LEU B 79 24.752 -13.393 -6.095 1.00 31.91 C ANISOU 1995 CD1 LEU B 79 3948 4222 3953 282 -153 200 C ATOM 1996 CD2 LEU B 79 22.884 -12.129 -7.361 1.00 28.08 C ANISOU 1996 CD2 LEU B 79 3469 3679 3518 194 -140 226 C ATOM 0 H LEU B 79 22.319 -11.772 -3.125 1.00 25.14 H new ATOM 0 HA LEU B 79 20.945 -11.814 -5.267 1.00 26.23 H new ATOM 0 HB2 LEU B 79 23.079 -13.405 -4.382 1.00 28.45 H new ATOM 0 HB3 LEU B 79 22.327 -13.926 -5.645 1.00 28.45 H new ATOM 0 HG LEU B 79 23.796 -11.555 -5.676 1.00 30.44 H new ATOM 0 HD11 LEU B 79 25.440 -12.997 -6.652 1.00 31.91 H new ATOM 0 HD12 LEU B 79 25.105 -13.544 -5.204 1.00 31.91 H new ATOM 0 HD13 LEU B 79 24.472 -14.238 -6.479 1.00 31.91 H new ATOM 0 HD21 LEU B 79 23.519 -11.660 -7.925 1.00 28.08 H new ATOM 0 HD22 LEU B 79 22.629 -12.962 -7.787 1.00 28.08 H new ATOM 0 HD23 LEU B 79 22.097 -11.577 -7.233 1.00 28.08 H new ATOM 1997 N ALA B 80 20.470 -14.419 -3.508 1.00 26.76 N ANISOU 1997 N ALA B 80 3421 3397 3349 149 -166 246 N ATOM 1998 CA ALA B 80 19.519 -15.450 -3.263 1.00 26.37 C ANISOU 1998 CA ALA B 80 3430 3304 3284 113 -174 257 C ATOM 1999 C ALA B 80 18.131 -14.931 -3.114 1.00 25.33 C ANISOU 1999 C ALA B 80 3262 3184 3176 50 -159 261 C ATOM 2000 O ALA B 80 17.149 -15.455 -3.767 1.00 25.45 O ANISOU 2000 O ALA B 80 3295 3182 3191 9 -167 263 O ATOM 2001 CB ALA B 80 19.993 -16.303 -1.941 1.00 26.85 C ANISOU 2001 CB ALA B 80 3553 3341 3306 132 -182 263 C ATOM 0 H ALA B 80 21.108 -14.371 -2.933 1.00 26.76 H new ATOM 0 HA ALA B 80 19.493 -16.035 -4.037 1.00 26.37 H new ATOM 0 HB1 ALA B 80 19.352 -17.009 -1.764 1.00 26.85 H new ATOM 0 HB2 ALA B 80 20.866 -16.693 -2.103 1.00 26.85 H new ATOM 0 HB3 ALA B 80 20.041 -15.711 -1.174 1.00 26.85 H new ATOM 2002 N LEU B 81 17.947 -13.888 -2.286 1.00 24.05 N ANISOU 2002 N LEU B 81 3048 3059 3031 43 -142 258 N ATOM 2003 CA LEU B 81 16.582 -13.421 -2.048 1.00 24.42 C ANISOU 2003 CA LEU B 81 3054 3132 3090 -2 -131 254 C ATOM 2004 C LEU B 81 15.998 -12.764 -3.320 1.00 25.12 C ANISOU 2004 C LEU B 81 3109 3234 3202 -1 -139 241 C ATOM 2005 O LEU B 81 14.771 -12.817 -3.603 1.00 24.01 O ANISOU 2005 O LEU B 81 2944 3114 3065 -36 -141 232 O ATOM 2006 CB LEU B 81 16.497 -12.516 -0.805 1.00 24.51 C ANISOU 2006 CB LEU B 81 3029 3179 3104 3 -116 250 C ATOM 2007 CG LEU B 81 16.819 -13.166 0.544 1.00 25.74 C ANISOU 2007 CG LEU B 81 3222 3325 3232 -1 -107 263 C ATOM 2008 CD1 LEU B 81 16.932 -12.071 1.594 1.00 24.97 C ANISOU 2008 CD1 LEU B 81 3085 3262 3139 21 -98 254 C ATOM 2009 CD2 LEU B 81 15.798 -14.158 0.986 1.00 29.76 C ANISOU 2009 CD2 LEU B 81 3761 3830 3714 -64 -94 276 C ATOM 0 H LEU B 81 18.569 -13.460 -1.874 1.00 24.05 H new ATOM 0 HA LEU B 81 16.026 -14.191 -1.850 1.00 24.42 H new ATOM 0 HB2 LEU B 81 17.102 -11.769 -0.933 1.00 24.51 H new ATOM 0 HB3 LEU B 81 15.600 -12.150 -0.758 1.00 24.51 H new ATOM 0 HG LEU B 81 17.652 -13.652 0.436 1.00 25.74 H new ATOM 0 HD11 LEU B 81 17.136 -12.468 2.455 1.00 24.97 H new ATOM 0 HD12 LEU B 81 17.640 -11.456 1.346 1.00 24.97 H new ATOM 0 HD13 LEU B 81 16.092 -11.589 1.651 1.00 24.97 H new ATOM 0 HD21 LEU B 81 16.059 -14.532 1.842 1.00 29.76 H new ATOM 0 HD22 LEU B 81 14.937 -13.719 1.074 1.00 29.76 H new ATOM 0 HD23 LEU B 81 15.732 -14.869 0.330 1.00 29.76 H new ATOM 2010 N THR B 82 16.867 -12.133 -4.103 1.00 24.11 N ANISOU 2010 N THR B 82 2976 3100 3084 37 -146 237 N ATOM 2011 CA THR B 82 16.428 -11.493 -5.349 1.00 23.94 C ANISOU 2011 CA THR B 82 2939 3081 3076 44 -157 226 C ATOM 2012 C THR B 82 15.909 -12.549 -6.362 1.00 24.94 C ANISOU 2012 C THR B 82 3096 3183 3196 28 -171 226 C ATOM 2013 O THR B 82 14.823 -12.378 -6.894 1.00 27.76 O ANISOU 2013 O THR B 82 3433 3553 3561 11 -181 212 O ATOM 2014 CB THR B 82 17.561 -10.652 -5.951 1.00 23.80 C ANISOU 2014 CB THR B 82 2921 3061 3060 74 -157 227 C ATOM 2015 OG1 THR B 82 17.922 -9.576 -5.050 1.00 22.29 O ANISOU 2015 OG1 THR B 82 2709 2886 2873 77 -152 225 O ATOM 2016 CG2 THR B 82 17.178 -10.026 -7.353 1.00 22.19 C ANISOU 2016 CG2 THR B 82 2723 2849 2860 82 -169 220 C ATOM 0 H THR B 82 17.708 -12.062 -3.937 1.00 24.11 H new ATOM 0 HA THR B 82 15.690 -10.897 -5.143 1.00 23.94 H new ATOM 0 HB THR B 82 18.309 -11.255 -6.082 1.00 23.80 H new ATOM 0 HG1 THR B 82 18.417 -9.875 -4.441 1.00 22.29 H new ATOM 0 HG21 THR B 82 17.924 -9.506 -7.690 1.00 22.19 H new ATOM 0 HG22 THR B 82 16.971 -10.737 -7.979 1.00 22.19 H new ATOM 0 HG23 THR B 82 16.404 -9.451 -7.250 1.00 22.19 H new ATOM 2017 N VAL B 83 16.675 -13.594 -6.594 1.00 26.98 N ANISOU 2017 N VAL B 83 3402 3410 3436 41 -177 235 N ATOM 2018 CA VAL B 83 16.367 -14.686 -7.562 1.00 28.18 C ANISOU 2018 CA VAL B 83 3603 3526 3575 33 -198 235 C ATOM 2019 C VAL B 83 15.303 -15.616 -7.035 1.00 27.39 C ANISOU 2019 C VAL B 83 3527 3412 3465 -29 -204 239 C ATOM 2020 O VAL B 83 14.646 -16.312 -7.817 1.00 28.17 O ANISOU 2020 O VAL B 83 3655 3489 3558 -56 -226 234 O ATOM 2021 CB VAL B 83 17.613 -15.520 -7.958 1.00 29.59 C ANISOU 2021 CB VAL B 83 3838 3677 3726 84 -209 239 C ATOM 2022 CG1 VAL B 83 17.189 -16.789 -8.606 1.00 37.58 C ANISOU 2022 CG1 VAL B 83 4921 4640 4715 73 -238 239 C ATOM 2023 CG2 VAL B 83 18.508 -14.724 -8.872 1.00 32.65 C ANISOU 2023 CG2 VAL B 83 4198 4090 4116 130 -201 233 C ATOM 0 H VAL B 83 17.423 -13.712 -6.187 1.00 26.98 H new ATOM 0 HA VAL B 83 16.041 -14.235 -8.356 1.00 28.18 H new ATOM 0 HB VAL B 83 18.116 -15.736 -7.157 1.00 29.59 H new ATOM 0 HG11 VAL B 83 17.973 -17.305 -8.851 1.00 37.58 H new ATOM 0 HG12 VAL B 83 16.645 -17.302 -7.988 1.00 37.58 H new ATOM 0 HG13 VAL B 83 16.672 -16.589 -9.402 1.00 37.58 H new ATOM 0 HG21 VAL B 83 19.282 -15.257 -9.112 1.00 32.65 H new ATOM 0 HG22 VAL B 83 18.020 -14.485 -9.675 1.00 32.65 H new ATOM 0 HG23 VAL B 83 18.799 -13.917 -8.418 1.00 32.65 H new ATOM 2024 N ALA B 84 15.044 -15.587 -5.737 1.00 25.99 N ANISOU 2024 N ALA B 84 3336 3254 3284 -61 -186 246 N ATOM 2025 CA ALA B 84 13.970 -16.421 -5.219 1.00 27.40 C ANISOU 2025 CA ALA B 84 3533 3431 3446 -139 -186 252 C ATOM 2026 C ALA B 84 12.618 -15.907 -5.636 1.00 28.46 C ANISOU 2026 C ALA B 84 3596 3619 3598 -181 -185 232 C ATOM 2027 O ALA B 84 11.651 -16.655 -5.546 1.00 30.55 O ANISOU 2027 O ALA B 84 3866 3892 3847 -258 -188 232 O ATOM 2028 CB ALA B 84 14.016 -16.539 -3.694 1.00 27.45 C ANISOU 2028 CB ALA B 84 3546 3448 3434 -166 -162 267 C ATOM 0 H ALA B 84 15.461 -15.110 -5.156 1.00 25.99 H new ATOM 0 HA ALA B 84 14.107 -17.302 -5.601 1.00 27.40 H new ATOM 0 HB1 ALA B 84 13.286 -17.101 -3.391 1.00 27.45 H new ATOM 0 HB2 ALA B 84 14.860 -16.933 -3.425 1.00 27.45 H new ATOM 0 HB3 ALA B 84 13.931 -15.657 -3.298 1.00 27.45 H new ATOM 2029 N GLN B 85 12.528 -14.645 -6.067 1.00 29.50 N ANISOU 2029 N GLN B 85 3663 3790 3754 -133 -184 213 N ATOM 2030 CA AGLN B 85 11.232 -14.145 -6.536 0.50 29.62 C ANISOU 2030 CA AGLN B 85 3612 3862 3778 -152 -192 185 C ATOM 2031 CA BGLN B 85 11.263 -14.105 -6.554 0.50 29.51 C ANISOU 2031 CA BGLN B 85 3598 3848 3765 -149 -192 185 C ATOM 2032 C GLN B 85 10.900 -14.804 -7.880 1.00 31.11 C ANISOU 2032 C GLN B 85 3831 4021 3968 -164 -223 176 C ATOM 2033 O GLN B 85 11.759 -14.986 -8.743 1.00 27.20 O ANISOU 2033 O GLN B 85 3389 3471 3474 -121 -238 184 O ATOM 2034 CB AGLN B 85 11.181 -12.605 -6.589 0.50 29.45 C ANISOU 2034 CB AGLN B 85 3536 3881 3772 -87 -192 164 C ATOM 2035 CB BGLN B 85 11.363 -12.575 -6.717 0.50 29.33 C ANISOU 2035 CB BGLN B 85 3529 3856 3758 -79 -194 166 C ATOM 2036 CG AGLN B 85 11.165 -11.924 -5.196 0.50 31.01 C ANISOU 2036 CG AGLN B 85 3696 4121 3964 -80 -168 164 C ATOM 2037 CG BGLN B 85 12.162 -11.814 -5.615 0.50 30.02 C ANISOU 2037 CG BGLN B 85 3612 3946 3846 -48 -173 177 C ATOM 2038 CD AGLN B 85 9.945 -12.284 -4.371 0.50 31.78 C ANISOU 2038 CD AGLN B 85 3737 4292 4044 -139 -151 151 C ATOM 2039 CD BGLN B 85 12.355 -10.361 -5.991 0.50 29.84 C ANISOU 2039 CD BGLN B 85 3574 3930 3832 13 -185 161 C ATOM 2040 OE1AGLN B 85 10.074 -12.817 -3.266 0.50 37.12 O ANISOU 2040 OE1AGLN B 85 4427 4973 4704 -180 -126 171 O ATOM 2041 OE1BGLN B 85 13.348 -9.984 -6.621 0.50 21.44 O ANISOU 2041 OE1BGLN B 85 2547 2825 2774 43 -191 172 O ATOM 2042 NE2AGLN B 85 8.765 -12.023 -4.911 0.50 31.73 N ANISOU 2042 NE2AGLN B 85 3670 4351 4036 -144 -166 117 N ATOM 2043 NE2BGLN B 85 11.343 -9.572 -5.723 0.50 31.41 N ANISOU 2043 NE2BGLN B 85 3723 4184 4025 31 -193 132 N ATOM 0 H AGLN B 85 13.177 -14.082 -6.096 0.50 29.50 H new ATOM 0 H BGLN B 85 13.186 -14.091 -6.084 0.50 29.50 H new ATOM 0 HA AGLN B 85 10.546 -14.392 -5.896 0.50 29.51 H new ATOM 0 HA BGLN B 85 10.556 -14.277 -5.913 0.50 29.51 H new ATOM 0 HB2AGLN B 85 11.948 -12.283 -7.087 0.50 29.33 H new ATOM 0 HB2BGLN B 85 11.773 -12.386 -7.576 0.50 29.33 H new ATOM 0 HB3AGLN B 85 10.390 -12.334 -7.080 0.50 29.33 H new ATOM 0 HB3BGLN B 85 10.464 -12.212 -6.746 0.50 29.33 H new ATOM 0 HG2AGLN B 85 11.964 -12.178 -4.709 0.50 30.02 H new ATOM 0 HG2BGLN B 85 11.690 -11.873 -4.770 0.50 30.02 H new ATOM 0 HG3AGLN B 85 11.197 -10.962 -5.312 0.50 30.02 H new ATOM 0 HG3BGLN B 85 13.026 -12.236 -5.487 0.50 30.02 H new ATOM 0 HE21AGLN B 85 8.719 -11.650 -5.684 0.50 31.41 H new ATOM 0 HE21BGLN B 85 10.669 -9.872 -5.281 0.50 31.41 H new ATOM 0 HE22AGLN B 85 8.044 -12.226 -4.488 0.50 31.41 H new ATOM 0 HE22BGLN B 85 11.353 -8.754 -5.989 0.50 31.41 H new ATOM 2044 N SER B 86 9.620 -15.215 -8.030 1.00 32.65 N ANISOU 2044 N SER B 86 3988 4260 4156 -229 -233 157 N ATOM 2045 CA SER B 86 9.145 -15.864 -9.263 1.00 35.30 C ANISOU 2045 CA SER B 86 4349 4572 4491 -250 -268 144 C ATOM 2046 C SER B 86 9.275 -14.971 -10.419 1.00 33.37 C ANISOU 2046 C SER B 86 4092 4325 4262 -169 -290 123 C ATOM 2047 O SER B 86 9.542 -15.432 -11.517 1.00 36.93 O ANISOU 2047 O SER B 86 4596 4726 4711 -150 -316 122 O ATOM 2048 CB SER B 86 7.660 -16.231 -9.157 1.00 36.65 C ANISOU 2048 CB SER B 86 4455 4817 4652 -337 -275 119 C ATOM 2049 OG SER B 86 7.556 -17.230 -8.198 1.00 42.74 O ANISOU 2049 OG SER B 86 5262 5577 5400 -432 -256 145 O ATOM 0 H SER B 86 9.016 -15.124 -7.425 1.00 32.65 H new ATOM 0 HA SER B 86 9.691 -16.658 -9.379 1.00 35.30 H new ATOM 0 HB2 SER B 86 7.132 -15.457 -8.905 1.00 36.65 H new ATOM 0 HB3 SER B 86 7.321 -16.539 -10.012 1.00 36.65 H new ATOM 0 HG SER B 86 6.751 -17.455 -8.113 1.00 42.74 H new ATOM 2050 N ASP B 87 9.163 -13.672 -10.190 1.00 32.12 N ANISOU 2050 N ASP B 87 3877 4213 4113 -114 -281 106 N ATOM 2051 CA ASP B 87 9.136 -12.760 -11.320 1.00 31.38 C ANISOU 2051 CA ASP B 87 3783 4114 4024 -41 -306 84 C ATOM 2052 C ASP B 87 10.519 -12.262 -11.742 1.00 29.71 C ANISOU 2052 C ASP B 87 3632 3841 3815 16 -298 109 C ATOM 2053 O ASP B 87 10.606 -11.423 -12.586 1.00 29.24 O ANISOU 2053 O ASP B 87 3585 3770 3752 69 -314 98 O ATOM 2054 CB ASP B 87 8.160 -11.608 -11.027 1.00 33.11 C ANISOU 2054 CB ASP B 87 3926 4412 4240 -6 -315 45 C ATOM 2055 CG ASP B 87 8.682 -10.638 -9.943 1.00 35.60 C ANISOU 2055 CG ASP B 87 4230 4739 4556 27 -289 55 C ATOM 2056 OD1 ASP B 87 8.051 -9.602 -9.724 1.00 35.55 O ANISOU 2056 OD1 ASP B 87 4182 4785 4539 76 -302 23 O ATOM 2057 OD2 ASP B 87 9.739 -10.894 -9.318 1.00 33.09 O ANISOU 2057 OD2 ASP B 87 3950 4378 4243 12 -262 91 O ATOM 0 H ASP B 87 9.103 -13.307 -9.414 1.00 32.12 H new ATOM 0 HA ASP B 87 8.816 -13.256 -12.089 1.00 31.38 H new ATOM 0 HB2 ASP B 87 7.996 -11.113 -11.845 1.00 33.11 H new ATOM 0 HB3 ASP B 87 7.309 -11.976 -10.742 1.00 33.11 H new ATOM 2058 N THR B 88 11.606 -12.791 -11.149 1.00 27.53 N ANISOU 2058 N THR B 88 3393 3528 3537 4 -274 142 N ATOM 2059 CA THR B 88 12.970 -12.301 -11.449 1.00 25.78 C ANISOU 2059 CA THR B 88 3210 3272 3313 51 -261 162 C ATOM 2060 C THR B 88 13.884 -13.481 -11.841 1.00 27.02 C ANISOU 2060 C THR B 88 3426 3384 3455 53 -261 181 C ATOM 2061 O THR B 88 13.783 -14.569 -11.241 1.00 28.07 O ANISOU 2061 O THR B 88 3582 3502 3580 16 -263 189 O ATOM 2062 CB THR B 88 13.518 -11.611 -10.178 1.00 24.68 C ANISOU 2062 CB THR B 88 3046 3152 3178 53 -234 173 C ATOM 2063 OG1 THR B 88 12.603 -10.568 -9.818 1.00 25.59 O ANISOU 2063 OG1 THR B 88 3115 3307 3298 63 -241 150 O ATOM 2064 CG2 THR B 88 14.924 -11.025 -10.370 1.00 25.23 C ANISOU 2064 CG2 THR B 88 3141 3202 3243 85 -219 191 C ATOM 0 H THR B 88 11.576 -13.430 -10.574 1.00 27.53 H new ATOM 0 HA THR B 88 12.946 -11.676 -12.190 1.00 25.78 H new ATOM 0 HB THR B 88 13.595 -12.278 -9.478 1.00 24.68 H new ATOM 0 HG1 THR B 88 11.867 -10.906 -9.593 1.00 25.59 H new ATOM 0 HG21 THR B 88 15.216 -10.607 -9.545 1.00 25.23 H new ATOM 0 HG22 THR B 88 15.541 -11.735 -10.608 1.00 25.23 H new ATOM 0 HG23 THR B 88 14.905 -10.363 -11.079 1.00 25.23 H new ATOM 2065 N ALA B 89 14.656 -13.316 -12.907 1.00 26.67 N ANISOU 2065 N ALA B 89 3413 3318 3399 97 -265 184 N ATOM 2066 CA ALA B 89 15.645 -14.290 -13.408 1.00 27.59 C ANISOU 2066 CA ALA B 89 3583 3405 3492 124 -267 195 C ATOM 2067 C ALA B 89 16.895 -13.586 -13.765 1.00 26.21 C ANISOU 2067 C ALA B 89 3405 3248 3305 164 -244 205 C ATOM 2068 O ALA B 89 16.860 -12.715 -14.667 1.00 28.42 O ANISOU 2068 O ALA B 89 3683 3532 3580 180 -243 202 O ATOM 2069 CB ALA B 89 15.163 -15.045 -14.666 1.00 27.65 C ANISOU 2069 CB ALA B 89 3637 3381 3485 135 -301 183 C ATOM 0 H ALA B 89 14.623 -12.603 -13.387 1.00 26.67 H new ATOM 0 HA ALA B 89 15.781 -14.934 -12.695 1.00 27.59 H new ATOM 0 HB1 ALA B 89 15.848 -15.669 -14.951 1.00 27.65 H new ATOM 0 HB2 ALA B 89 14.349 -15.531 -14.460 1.00 27.65 H new ATOM 0 HB3 ALA B 89 14.988 -14.410 -15.378 1.00 27.65 H new ATOM 2070 N LEU B 90 18.007 -13.976 -13.154 1.00 26.31 N ANISOU 2070 N LEU B 90 3421 3273 3303 182 -228 215 N ATOM 2071 CA LEU B 90 19.292 -13.316 -13.447 1.00 26.96 C ANISOU 2071 CA LEU B 90 3482 3391 3367 209 -202 221 C ATOM 2072 C LEU B 90 20.279 -14.214 -14.258 1.00 27.44 C ANISOU 2072 C LEU B 90 3575 3464 3387 266 -204 216 C ATOM 2073 O LEU B 90 20.156 -15.434 -14.183 1.00 26.70 O ANISOU 2073 O LEU B 90 3527 3338 3278 289 -230 209 O ATOM 2074 CB LEU B 90 19.918 -12.896 -12.162 1.00 26.67 C ANISOU 2074 CB LEU B 90 3407 3384 3339 195 -181 227 C ATOM 2075 CG LEU B 90 19.173 -11.839 -11.340 1.00 26.97 C ANISOU 2075 CG LEU B 90 3415 3422 3408 154 -177 229 C ATOM 2076 CD1 LEU B 90 20.077 -11.532 -10.095 1.00 24.68 C ANISOU 2076 CD1 LEU B 90 3094 3162 3119 148 -159 234 C ATOM 2077 CD2 LEU B 90 18.818 -10.557 -12.126 1.00 28.14 C ANISOU 2077 CD2 LEU B 90 3562 3568 3560 144 -177 229 C ATOM 0 H LEU B 90 18.048 -14.610 -12.574 1.00 26.31 H new ATOM 0 HA LEU B 90 19.105 -12.548 -14.009 1.00 26.96 H new ATOM 0 HB2 LEU B 90 20.030 -13.685 -11.609 1.00 26.67 H new ATOM 0 HB3 LEU B 90 20.806 -12.557 -12.356 1.00 26.67 H new ATOM 0 HG LEU B 90 18.307 -12.188 -11.078 1.00 26.97 H new ATOM 0 HD11 LEU B 90 19.646 -10.864 -9.539 1.00 24.68 H new ATOM 0 HD12 LEU B 90 20.207 -12.344 -9.581 1.00 24.68 H new ATOM 0 HD13 LEU B 90 20.937 -11.198 -10.394 1.00 24.68 H new ATOM 0 HD21 LEU B 90 18.351 -9.939 -11.543 1.00 28.14 H new ATOM 0 HD22 LEU B 90 19.632 -10.141 -12.452 1.00 28.14 H new ATOM 0 HD23 LEU B 90 18.249 -10.785 -12.877 1.00 28.14 H new ATOM 2078 N TYR B 91 21.193 -13.564 -14.993 1.00 26.23 N ANISOU 2078 N TYR B 91 3399 3355 3210 283 -180 219 N ATOM 2079 CA TYR B 91 22.201 -14.191 -15.806 1.00 27.23 C ANISOU 2079 CA TYR B 91 3537 3518 3290 342 -175 210 C ATOM 2080 C TYR B 91 23.537 -13.546 -15.581 1.00 27.66 C ANISOU 2080 C TYR B 91 3530 3655 3321 341 -137 212 C ATOM 2081 O TYR B 91 23.642 -12.335 -15.341 1.00 26.94 O ANISOU 2081 O TYR B 91 3403 3583 3247 284 -112 225 O ATOM 2082 CB TYR B 91 21.840 -14.094 -17.283 1.00 29.17 C ANISOU 2082 CB TYR B 91 3818 3748 3518 358 -181 209 C ATOM 2083 CG TYR B 91 20.503 -14.707 -17.555 1.00 25.08 C ANISOU 2083 CG TYR B 91 3352 3156 3020 353 -223 203 C ATOM 2084 CD1 TYR B 91 20.408 -16.060 -17.921 1.00 27.33 C ANISOU 2084 CD1 TYR B 91 3695 3406 3280 399 -258 189 C ATOM 2085 CD2 TYR B 91 19.354 -14.003 -17.429 1.00 24.80 C ANISOU 2085 CD2 TYR B 91 3309 3090 3022 304 -232 205 C ATOM 2086 CE1 TYR B 91 19.181 -16.681 -18.132 1.00 24.72 C ANISOU 2086 CE1 TYR B 91 3413 3011 2966 377 -300 182 C ATOM 2087 CE2 TYR B 91 18.107 -14.642 -17.621 1.00 24.27 C ANISOU 2087 CE2 TYR B 91 3275 2973 2972 292 -272 194 C ATOM 2088 CZ TYR B 91 18.038 -15.966 -17.990 1.00 28.86 C ANISOU 2088 CZ TYR B 91 3912 3521 3532 320 -304 184 C ATOM 2089 OH TYR B 91 16.834 -16.662 -18.155 1.00 27.61 O ANISOU 2089 OH TYR B 91 3789 3315 3386 291 -346 172 O ATOM 0 H TYR B 91 21.230 -12.705 -15.021 1.00 26.23 H new ATOM 0 HA TYR B 91 22.248 -15.125 -15.550 1.00 27.23 H new ATOM 0 HB2 TYR B 91 21.833 -13.163 -17.556 1.00 29.17 H new ATOM 0 HB3 TYR B 91 22.518 -14.541 -17.814 1.00 29.17 H new ATOM 0 HD1 TYR B 91 21.188 -16.555 -18.025 1.00 27.33 H new ATOM 0 HD2 TYR B 91 19.384 -13.098 -17.216 1.00 24.80 H new ATOM 0 HE1 TYR B 91 19.145 -17.580 -18.369 1.00 24.72 H new ATOM 0 HE2 TYR B 91 17.322 -14.160 -17.496 1.00 24.27 H new ATOM 0 HH TYR B 91 16.990 -17.487 -18.192 1.00 27.61 H new ATOM 2090 N VAL B 92 24.569 -14.372 -15.719 1.00 26.39 N ANISOU 2090 N VAL B 92 3361 3547 3116 408 -136 194 N ATOM 2091 CA VAL B 92 25.923 -13.910 -15.553 1.00 28.82 C ANISOU 2091 CA VAL B 92 3597 3959 3394 412 -101 187 C ATOM 2092 C VAL B 92 26.489 -13.643 -16.938 1.00 28.00 C ANISOU 2092 C VAL B 92 3480 3914 3242 426 -74 187 C ATOM 2093 O VAL B 92 26.346 -14.420 -17.814 1.00 29.38 O ANISOU 2093 O VAL B 92 3700 4074 3388 488 -91 176 O ATOM 2094 CB VAL B 92 26.794 -14.877 -14.846 1.00 29.63 C ANISOU 2094 CB VAL B 92 3685 4107 3465 487 -116 161 C ATOM 2095 CG1 VAL B 92 28.290 -14.380 -14.854 1.00 30.33 C ANISOU 2095 CG1 VAL B 92 3676 4334 3511 494 -78 145 C ATOM 2096 CG2 VAL B 92 26.245 -15.070 -13.416 1.00 27.69 C ANISOU 2096 CG2 VAL B 92 3458 3801 3260 464 -139 166 C ATOM 0 H VAL B 92 24.497 -15.207 -15.910 1.00 26.39 H new ATOM 0 HA VAL B 92 25.903 -13.111 -15.003 1.00 28.82 H new ATOM 0 HB VAL B 92 26.789 -15.735 -15.298 1.00 29.63 H new ATOM 0 HG11 VAL B 92 28.847 -15.023 -14.388 1.00 30.33 H new ATOM 0 HG12 VAL B 92 28.597 -14.291 -15.770 1.00 30.33 H new ATOM 0 HG13 VAL B 92 28.348 -13.520 -14.409 1.00 30.33 H new ATOM 0 HG21 VAL B 92 26.804 -15.702 -12.937 1.00 27.69 H new ATOM 0 HG22 VAL B 92 26.247 -14.219 -12.951 1.00 27.69 H new ATOM 0 HG23 VAL B 92 25.338 -15.411 -13.461 1.00 27.69 H new ATOM 2097 N VAL B 93 27.080 -12.485 -17.104 1.00 34.25 N ANISOU 2097 N VAL B 93 3533 4474 5004 1044 1171 584 N ATOM 2098 CA VAL B 93 27.866 -12.204 -18.360 1.00 34.68 C ANISOU 2098 CA VAL B 93 3560 4534 5081 1249 1306 640 C ATOM 2099 C VAL B 93 29.273 -12.753 -18.366 1.00 36.22 C ANISOU 2099 C VAL B 93 3775 4642 5345 1252 1230 492 C ATOM 2100 O VAL B 93 30.104 -12.365 -17.534 1.00 36.46 O ANISOU 2100 O VAL B 93 3761 4562 5527 1166 1292 388 O ATOM 2101 CB VAL B 93 27.922 -10.677 -18.599 1.00 35.56 C ANISOU 2101 CB VAL B 93 3635 4570 5305 1363 1633 778 C ATOM 2102 CG1 VAL B 93 28.527 -10.384 -19.982 1.00 36.79 C ANISOU 2102 CG1 VAL B 93 3799 4760 5420 1543 1795 868 C ATOM 2103 CG2 VAL B 93 26.557 -10.100 -18.422 1.00 33.78 C ANISOU 2103 CG2 VAL B 93 3398 4459 4978 1447 1680 887 C ATOM 0 H VAL B 93 27.060 -11.840 -16.535 1.00 34.25 H new ATOM 0 HA VAL B 93 27.395 -12.665 -19.071 1.00 34.68 H new ATOM 0 HB VAL B 93 28.501 -10.251 -17.948 1.00 35.56 H new ATOM 0 HG11 VAL B 93 28.559 -9.425 -20.125 1.00 36.79 H new ATOM 0 HG12 VAL B 93 29.425 -10.747 -20.026 1.00 36.79 H new ATOM 0 HG13 VAL B 93 27.979 -10.795 -20.669 1.00 36.79 H new ATOM 0 HG21 VAL B 93 26.589 -9.142 -18.571 1.00 33.78 H new ATOM 0 HG22 VAL B 93 25.949 -10.506 -19.059 1.00 33.78 H new ATOM 0 HG23 VAL B 93 26.245 -10.276 -17.520 1.00 33.78 H new ATOM 2104 N CYS B 94 29.560 -13.653 -19.319 1.00 38.29 N ANISOU 2104 N CYS B 94 4081 4999 5467 1375 1091 454 N ATOM 2105 CA CYS B 94 30.932 -14.101 -19.639 1.00 40.45 C ANISOU 2105 CA CYS B 94 4331 5292 5746 1486 1034 302 C ATOM 2106 C CYS B 94 31.359 -13.806 -21.101 1.00 42.31 C ANISOU 2106 C CYS B 94 4464 5685 5924 1666 1188 372 C ATOM 2107 O CYS B 94 30.511 -13.678 -21.969 1.00 43.41 O ANISOU 2107 O CYS B 94 4616 5910 5965 1750 1241 527 O ATOM 2108 CB CYS B 94 31.043 -15.600 -19.376 1.00 40.80 C ANISOU 2108 CB CYS B 94 4585 5290 5625 1521 687 150 C ATOM 2109 SG CYS B 94 30.544 -16.073 -17.671 1.00 43.66 S ANISOU 2109 SG CYS B 94 5147 5450 5989 1290 503 83 S ATOM 0 H CYS B 94 28.957 -14.026 -19.805 1.00 38.29 H new ATOM 0 HA CYS B 94 31.531 -13.596 -19.067 1.00 40.45 H new ATOM 0 HB2 CYS B 94 30.488 -16.076 -20.013 1.00 40.80 H new ATOM 0 HB3 CYS B 94 31.958 -15.883 -19.529 1.00 40.80 H new ATOM 0 HG CYS B 94 30.654 -17.260 -17.536 1.00 43.66 H new ATOM 2110 N ALA B 95 32.667 -13.734 -21.361 1.00 43.90 N ANISOU 2110 N ALA B 95 4546 5980 6152 1730 1252 235 N ATOM 2111 CA ALA B 95 33.196 -13.613 -22.729 1.00 44.88 C ANISOU 2111 CA ALA B 95 4570 6297 6182 1884 1376 268 C ATOM 2112 C ALA B 95 32.954 -14.896 -23.525 1.00 44.61 C ANISOU 2112 C ALA B 95 4636 6370 5942 2092 1094 218 C ATOM 2113 O ALA B 95 32.805 -15.962 -22.907 1.00 43.58 O ANISOU 2113 O ALA B 95 4677 6142 5735 2106 796 90 O ATOM 2114 CB ALA B 95 34.700 -13.242 -22.687 1.00 47.06 C ANISOU 2114 CB ALA B 95 4642 6737 6500 1844 1518 76 C ATOM 0 H ALA B 95 33.274 -13.754 -20.752 1.00 43.90 H new ATOM 0 HA ALA B 95 32.722 -12.900 -23.185 1.00 44.88 H new ATOM 0 HB1 ALA B 95 35.040 -13.164 -23.592 1.00 47.06 H new ATOM 0 HB2 ALA B 95 34.812 -12.396 -22.226 1.00 47.06 H new ATOM 0 HB3 ALA B 95 35.191 -13.933 -22.216 1.00 47.06 H new ATOM 2115 N SER B 98 35.262 -17.709 -22.263 1.00 57.03 N ANISOU 2115 N SER B 98 6441 8013 7214 2527 332 -478 N ATOM 2116 CA SER B 98 35.758 -18.142 -20.968 1.00 57.09 C ANISOU 2116 CA SER B 98 6567 7920 7205 2566 145 -663 C ATOM 2117 C SER B 98 34.601 -18.201 -19.989 1.00 55.83 C ANISOU 2117 C SER B 98 6661 7429 7123 2302 92 -514 C ATOM 2118 O SER B 98 33.470 -17.841 -20.320 1.00 54.17 O ANISOU 2118 O SER B 98 6473 7133 6975 2100 210 -298 O ATOM 2119 CB SER B 98 36.838 -17.176 -20.473 1.00 58.41 C ANISOU 2119 CB SER B 98 6360 8330 7499 2502 360 -809 C ATOM 2120 OG SER B 98 36.312 -15.872 -20.284 1.00 51.97 O ANISOU 2120 OG SER B 98 5393 7427 6925 2161 697 -610 O ATOM 0 HA SER B 98 36.153 -19.024 -21.045 1.00 57.09 H new ATOM 0 HB2 SER B 98 37.209 -17.502 -19.638 1.00 58.41 H new ATOM 0 HB3 SER B 98 37.566 -17.144 -21.114 1.00 58.41 H new ATOM 0 HG SER B 98 35.746 -15.708 -20.883 1.00 51.97 H new ATOM 2121 N ASP B 99 34.872 -18.662 -18.776 1.00 55.92 N ANISOU 2121 N ASP B 99 6852 7300 7092 2324 -88 -644 N ATOM 2122 CA ASP B 99 33.874 -18.557 -17.694 1.00 54.59 C ANISOU 2122 CA ASP B 99 6866 6871 7004 2028 -95 -518 C ATOM 2123 C ASP B 99 34.159 -17.427 -16.698 1.00 52.02 C ANISOU 2123 C ASP B 99 6262 6596 6907 1856 112 -532 C ATOM 2124 O ASP B 99 33.591 -17.406 -15.612 1.00 51.52 O ANISOU 2124 O ASP B 99 6330 6359 6885 1672 71 -490 O ATOM 2125 CB ASP B 99 33.714 -19.927 -16.990 1.00 57.00 C ANISOU 2125 CB ASP B 99 7689 6905 7064 2108 -440 -607 C ATOM 2126 CG ASP B 99 32.668 -20.832 -17.687 1.00 61.04 C ANISOU 2126 CG ASP B 99 8564 7238 7391 1991 -569 -503 C ATOM 2127 OD1 ASP B 99 31.641 -20.269 -18.192 1.00 65.03 O ANISOU 2127 OD1 ASP B 99 8895 7819 7994 1730 -387 -325 O ATOM 2128 OD2 ASP B 99 32.866 -22.084 -17.701 1.00 62.95 O ANISOU 2128 OD2 ASP B 99 9279 7274 7362 2166 -849 -616 O ATOM 0 H ASP B 99 35.613 -19.035 -18.551 1.00 55.92 H new ATOM 0 HA ASP B 99 33.030 -18.314 -18.107 1.00 54.59 H new ATOM 0 HB2 ASP B 99 34.571 -20.381 -16.974 1.00 57.00 H new ATOM 0 HB3 ASP B 99 33.451 -19.785 -16.067 1.00 57.00 H new ATOM 2129 N GLN B 100 34.969 -16.443 -17.088 1.00 50.60 N ANISOU 2129 N GLN B 100 5707 6653 6863 1868 361 -589 N ATOM 2130 CA GLN B 100 35.221 -15.290 -16.230 1.00 48.92 C ANISOU 2130 CA GLN B 100 5254 6468 6863 1652 595 -615 C ATOM 2131 C GLN B 100 33.977 -14.384 -16.161 1.00 46.17 C ANISOU 2131 C GLN B 100 4921 5939 6681 1384 811 -351 C ATOM 2132 O GLN B 100 33.576 -13.798 -17.154 1.00 44.42 O ANISOU 2132 O GLN B 100 4635 5744 6495 1361 1008 -184 O ATOM 2133 CB GLN B 100 36.416 -14.491 -16.733 1.00 51.60 C ANISOU 2133 CB GLN B 100 5234 7110 7260 1656 835 -767 C ATOM 2134 CG GLN B 100 36.971 -13.536 -15.689 1.00 55.58 C ANISOU 2134 CG GLN B 100 5515 7679 7923 1437 1022 -908 C ATOM 2135 CD GLN B 100 38.312 -12.906 -16.104 1.00 61.10 C ANISOU 2135 CD GLN B 100 5846 8759 8609 1380 1244 -1145 C ATOM 2136 OE1 GLN B 100 39.311 -13.613 -16.318 1.00 67.22 O ANISOU 2136 OE1 GLN B 100 6476 9878 9187 1638 1074 -1409 O ATOM 2137 NE2 GLN B 100 38.336 -11.563 -16.198 1.00 61.94 N ANISOU 2137 NE2 GLN B 100 5823 8819 8890 1034 1632 -1073 N ATOM 0 H GLN B 100 35.380 -16.425 -17.843 1.00 50.60 H new ATOM 0 HA GLN B 100 35.420 -15.619 -15.339 1.00 48.92 H new ATOM 0 HB2 GLN B 100 37.116 -15.104 -17.009 1.00 51.60 H new ATOM 0 HB3 GLN B 100 36.154 -13.987 -17.519 1.00 51.60 H new ATOM 0 HG2 GLN B 100 36.325 -12.831 -15.526 1.00 55.58 H new ATOM 0 HG3 GLN B 100 37.088 -14.012 -14.852 1.00 55.58 H new ATOM 0 HE21 GLN B 100 37.623 -11.108 -16.042 1.00 61.94 H new ATOM 0 HE22 GLN B 100 39.064 -11.160 -16.414 1.00 61.94 H new ATOM 2138 N ALA B 101 33.383 -14.272 -14.988 1.00 41.50 N ANISOU 2138 N ALA B 101 4740 5695 5331 302 170 18 N ATOM 2139 CA ALA B 101 32.177 -13.465 -14.855 1.00 39.74 C ANISOU 2139 CA ALA B 101 4613 5445 5040 214 176 96 C ATOM 2140 C ALA B 101 32.577 -12.017 -14.926 1.00 39.72 C ANISOU 2140 C ALA B 101 4565 5511 5015 136 258 195 C ATOM 2141 O ALA B 101 33.501 -11.552 -14.213 1.00 40.01 O ANISOU 2141 O ALA B 101 4529 5541 5132 96 253 245 O ATOM 2142 CB ALA B 101 31.471 -13.767 -13.534 1.00 38.79 C ANISOU 2142 CB ALA B 101 4560 5201 4974 151 61 129 C ATOM 0 H ALA B 101 33.654 -14.648 -14.263 1.00 41.50 H new ATOM 0 HA ALA B 101 31.555 -13.673 -15.570 1.00 39.74 H new ATOM 0 HB1 ALA B 101 30.672 -13.222 -13.462 1.00 38.79 H new ATOM 0 HB2 ALA B 101 31.226 -14.705 -13.505 1.00 38.79 H new ATOM 0 HB3 ALA B 101 32.067 -13.566 -12.795 1.00 38.79 H new ATOM 2143 N LEU B 102 31.897 -11.289 -15.800 1.00 38.55 N ANISOU 2143 N LEU B 102 4459 5419 4768 109 316 230 N ATOM 2144 CA LEU B 102 32.152 -9.877 -16.049 1.00 38.02 C ANISOU 2144 CA LEU B 102 4358 5404 4680 26 367 338 C ATOM 2145 C LEU B 102 31.059 -8.904 -15.522 1.00 35.22 C ANISOU 2145 C LEU B 102 4093 4966 4324 -51 308 393 C ATOM 2146 O LEU B 102 31.234 -7.659 -15.518 1.00 33.40 O ANISOU 2146 O LEU B 102 3843 4736 4110 -125 304 483 O ATOM 2147 CB LEU B 102 32.356 -9.681 -17.564 1.00 39.32 C ANISOU 2147 CB LEU B 102 4487 5719 4730 48 469 349 C ATOM 2148 CG LEU B 102 33.529 -10.426 -18.212 1.00 42.61 C ANISOU 2148 CG LEU B 102 4785 6274 5127 135 545 285 C ATOM 2149 CD1 LEU B 102 33.419 -10.440 -19.740 1.00 45.04 C ANISOU 2149 CD1 LEU B 102 5079 6753 5279 175 640 266 C ATOM 2150 CD2 LEU B 102 34.837 -9.787 -17.743 1.00 41.67 C ANISOU 2150 CD2 LEU B 102 4536 6204 5093 78 572 370 C ATOM 0 H LEU B 102 31.258 -11.610 -16.277 1.00 38.55 H new ATOM 0 HA LEU B 102 32.947 -9.646 -15.544 1.00 38.02 H new ATOM 0 HB2 LEU B 102 31.541 -9.952 -18.015 1.00 39.32 H new ATOM 0 HB3 LEU B 102 32.472 -8.733 -17.732 1.00 39.32 H new ATOM 0 HG LEU B 102 33.510 -11.355 -17.934 1.00 42.61 H new ATOM 0 HD11 LEU B 102 34.175 -10.918 -20.115 1.00 45.04 H new ATOM 0 HD12 LEU B 102 32.596 -10.882 -20.001 1.00 45.04 H new ATOM 0 HD13 LEU B 102 33.416 -9.529 -20.073 1.00 45.04 H new ATOM 0 HD21 LEU B 102 35.587 -10.251 -18.147 1.00 41.67 H new ATOM 0 HD22 LEU B 102 34.854 -8.854 -18.007 1.00 41.67 H new ATOM 0 HD23 LEU B 102 34.900 -9.851 -16.777 1.00 41.67 H new ATOM 2151 N GLY B 103 29.939 -9.449 -15.057 1.00 32.72 N ANISOU 2151 N GLY B 103 3862 4576 3994 -35 248 340 N ATOM 2152 CA GLY B 103 28.853 -8.606 -14.558 1.00 31.40 C ANISOU 2152 CA GLY B 103 3761 4352 3815 -88 194 365 C ATOM 2153 C GLY B 103 27.609 -9.509 -14.553 1.00 29.75 C ANISOU 2153 C GLY B 103 3629 4114 3559 -56 158 304 C ATOM 2154 O GLY B 103 27.736 -10.678 -14.781 1.00 30.17 O ANISOU 2154 O GLY B 103 3684 4166 3610 -5 155 255 O ATOM 0 H GLY B 103 29.787 -10.295 -15.021 1.00 32.72 H new ATOM 0 HA2 GLY B 103 29.048 -8.274 -13.668 1.00 31.40 H new ATOM 0 HA3 GLY B 103 28.721 -7.832 -15.127 1.00 31.40 H new ATOM 2155 N PHE B 104 26.431 -8.946 -14.273 1.00 28.35 N ANISOU 2155 N PHE B 104 3506 3911 3354 -86 118 304 N ATOM 2156 CA PHE B 104 25.198 -9.685 -14.341 1.00 26.35 C ANISOU 2156 CA PHE B 104 3313 3643 3055 -70 85 264 C ATOM 2157 C PHE B 104 24.051 -8.737 -14.723 1.00 27.06 C ANISOU 2157 C PHE B 104 3449 3731 3101 -89 72 266 C ATOM 2158 O PHE B 104 24.222 -7.536 -14.750 1.00 25.38 O ANISOU 2158 O PHE B 104 3225 3511 2906 -116 67 295 O ATOM 2159 CB PHE B 104 24.871 -10.465 -13.053 1.00 24.85 C ANISOU 2159 CB PHE B 104 3115 3434 2891 -91 19 254 C ATOM 2160 CG PHE B 104 24.647 -9.667 -11.870 1.00 22.99 C ANISOU 2160 CG PHE B 104 2855 3211 2665 -133 -14 264 C ATOM 2161 CD1 PHE B 104 23.382 -9.300 -11.509 1.00 25.82 C ANISOU 2161 CD1 PHE B 104 3234 3599 2977 -150 -44 244 C ATOM 2162 CD2 PHE B 104 25.730 -9.265 -11.046 1.00 25.91 C ANISOU 2162 CD2 PHE B 104 3174 3574 3093 -150 -24 283 C ATOM 2163 CE1 PHE B 104 23.171 -8.569 -10.342 1.00 25.41 C ANISOU 2163 CE1 PHE B 104 3149 3585 2920 -171 -81 226 C ATOM 2164 CE2 PHE B 104 25.573 -8.550 -9.892 1.00 23.48 C ANISOU 2164 CE2 PHE B 104 2846 3285 2789 -177 -69 274 C ATOM 2165 CZ PHE B 104 24.273 -8.183 -9.521 1.00 26.67 C ANISOU 2165 CZ PHE B 104 3268 3734 3131 -182 -97 237 C ATOM 0 H PHE B 104 26.338 -8.124 -14.039 1.00 28.35 H new ATOM 0 HA PHE B 104 25.308 -10.361 -15.028 1.00 26.35 H new ATOM 0 HB2 PHE B 104 24.080 -11.003 -13.214 1.00 24.85 H new ATOM 0 HB3 PHE B 104 25.600 -11.079 -12.874 1.00 24.85 H new ATOM 0 HD1 PHE B 104 22.659 -9.539 -12.044 1.00 25.82 H new ATOM 0 HD2 PHE B 104 26.592 -9.500 -11.305 1.00 25.91 H new ATOM 0 HE1 PHE B 104 22.306 -8.331 -10.096 1.00 25.41 H new ATOM 0 HE2 PHE B 104 26.306 -8.315 -9.370 1.00 23.48 H new ATOM 0 HZ PHE B 104 24.129 -7.691 -8.745 1.00 26.67 H new ATOM 2166 N LEU B 105 22.923 -9.344 -15.079 1.00 25.27 N ANISOU 2166 N LEU B 105 3273 3498 2829 -74 50 236 N ATOM 2167 CA LEU B 105 21.707 -8.593 -15.408 1.00 26.41 C ANISOU 2167 CA LEU B 105 3458 3636 2939 -84 24 226 C ATOM 2168 C LEU B 105 20.630 -9.612 -15.560 1.00 26.12 C ANISOU 2168 C LEU B 105 3458 3594 2870 -72 -6 199 C ATOM 2169 O LEU B 105 20.916 -10.840 -15.560 1.00 26.89 O ANISOU 2169 O LEU B 105 3559 3680 2977 -55 -17 194 O ATOM 2170 CB LEU B 105 21.858 -7.798 -16.728 1.00 26.10 C ANISOU 2170 CB LEU B 105 3451 3595 2869 -81 55 255 C ATOM 2171 CG LEU B 105 21.671 -8.599 -18.012 1.00 26.87 C ANISOU 2171 CG LEU B 105 3599 3709 2901 -42 86 241 C ATOM 2172 CD1 LEU B 105 21.491 -7.600 -19.231 1.00 25.52 C ANISOU 2172 CD1 LEU B 105 3467 3550 2679 -61 98 284 C ATOM 2173 CD2 LEU B 105 22.847 -9.572 -18.398 1.00 26.12 C ANISOU 2173 CD2 LEU B 105 3473 3654 2796 1 141 226 C ATOM 0 H LEU B 105 22.837 -10.198 -15.137 1.00 25.27 H new ATOM 0 HA LEU B 105 21.513 -7.944 -14.714 1.00 26.41 H new ATOM 0 HB2 LEU B 105 21.215 -7.072 -16.724 1.00 26.10 H new ATOM 0 HB3 LEU B 105 22.740 -7.395 -16.744 1.00 26.10 H new ATOM 0 HG LEU B 105 20.893 -9.151 -17.836 1.00 26.87 H new ATOM 0 HD11 LEU B 105 21.372 -8.106 -20.050 1.00 25.52 H new ATOM 0 HD12 LEU B 105 20.712 -7.042 -19.080 1.00 25.52 H new ATOM 0 HD13 LEU B 105 22.279 -7.040 -19.310 1.00 25.52 H new ATOM 0 HD21 LEU B 105 22.630 -10.030 -19.225 1.00 26.12 H new ATOM 0 HD22 LEU B 105 23.664 -9.062 -18.516 1.00 26.12 H new ATOM 0 HD23 LEU B 105 22.973 -10.224 -17.691 1.00 26.12 H new ATOM 2174 N GLY B 106 19.401 -9.161 -15.733 1.00 25.54 N ANISOU 2174 N GLY B 106 3411 3521 2771 -78 -38 182 N ATOM 2175 CA GLY B 106 18.333 -10.129 -15.979 1.00 24.45 C ANISOU 2175 CA GLY B 106 3304 3376 2608 -75 -76 169 C ATOM 2176 C GLY B 106 16.985 -9.535 -16.166 1.00 24.92 C ANISOU 2176 C GLY B 106 3378 3442 2647 -80 -110 148 C ATOM 2177 O GLY B 106 16.877 -8.327 -16.500 1.00 25.02 O ANISOU 2177 O GLY B 106 3399 3443 2662 -73 -111 135 O ATOM 0 H GLY B 106 19.163 -8.335 -15.714 1.00 25.54 H new ATOM 0 HA2 GLY B 106 18.557 -10.645 -16.769 1.00 24.45 H new ATOM 0 HA3 GLY B 106 18.299 -10.750 -15.234 1.00 24.45 H new ATOM 2178 N TYR B 107 15.959 -10.361 -15.957 1.00 24.45 N ANISOU 2178 N TYR B 107 3314 3396 2576 -98 -155 149 N ATOM 2179 CA TYR B 107 14.567 -9.966 -16.076 1.00 24.16 C ANISOU 2179 CA TYR B 107 3273 3380 2524 -102 -193 125 C ATOM 2180 C TYR B 107 13.913 -9.707 -14.734 1.00 24.16 C ANISOU 2180 C TYR B 107 3180 3485 2515 -134 -207 111 C ATOM 2181 O TYR B 107 14.229 -10.399 -13.779 1.00 24.63 O ANISOU 2181 O TYR B 107 3191 3598 2567 -174 -207 148 O ATOM 2182 CB TYR B 107 13.799 -11.039 -16.712 1.00 25.06 C ANISOU 2182 CB TYR B 107 3428 3460 2633 -108 -240 142 C ATOM 2183 CG TYR B 107 14.226 -11.381 -18.158 1.00 26.31 C ANISOU 2183 CG TYR B 107 3681 3536 2777 -60 -236 132 C ATOM 2184 CD1 TYR B 107 14.215 -10.427 -19.142 1.00 24.28 C ANISOU 2184 CD1 TYR B 107 3474 3256 2494 -31 -215 114 C ATOM 2185 CD2 TYR B 107 14.543 -12.693 -18.509 1.00 25.08 C ANISOU 2185 CD2 TYR B 107 3561 3334 2633 -43 -272 137 C ATOM 2186 CE1 TYR B 107 14.552 -10.730 -20.439 1.00 28.46 C ANISOU 2186 CE1 TYR B 107 4081 3748 2982 8 -207 106 C ATOM 2187 CE2 TYR B 107 14.920 -13.014 -19.815 1.00 22.29 C ANISOU 2187 CE2 TYR B 107 3285 2934 2250 18 -270 102 C ATOM 2188 CZ TYR B 107 14.927 -12.016 -20.753 1.00 25.73 C ANISOU 2188 CZ TYR B 107 3762 3379 2633 41 -226 89 C ATOM 2189 OH TYR B 107 15.242 -12.335 -22.009 1.00 26.31 O ANISOU 2189 OH TYR B 107 3904 3441 2651 97 -219 57 O ATOM 0 H TYR B 107 16.062 -11.186 -15.737 1.00 24.45 H new ATOM 0 HA TYR B 107 14.564 -9.149 -16.599 1.00 24.16 H new ATOM 0 HB2 TYR B 107 13.876 -11.839 -16.169 1.00 25.06 H new ATOM 0 HB3 TYR B 107 12.862 -10.788 -16.717 1.00 25.06 H new ATOM 0 HD1 TYR B 107 13.974 -9.555 -18.927 1.00 24.28 H new ATOM 0 HD2 TYR B 107 14.503 -13.363 -17.865 1.00 25.08 H new ATOM 0 HE1 TYR B 107 14.527 -10.073 -21.097 1.00 28.46 H new ATOM 0 HE2 TYR B 107 15.160 -13.883 -20.042 1.00 22.29 H new ATOM 0 HH TYR B 107 15.283 -11.637 -22.474 1.00 26.31 H new ATOM 2190 N ARG B 108 13.029 -8.709 -14.640 1.00 23.07 N ANISOU 2190 N ARG B 108 3009 3384 2371 -112 -227 54 N ATOM 2191 CA AARG B 108 12.278 -8.346 -13.441 0.50 23.46 C ANISOU 2191 CA AARG B 108 2953 3568 2392 -120 -238 9 C ATOM 2192 CA BARG B 108 12.217 -8.638 -13.426 0.50 23.44 C ANISOU 2192 CA BARG B 108 2950 3572 2385 -132 -238 25 C ATOM 2193 C ARG B 108 10.846 -8.248 -13.875 1.00 23.94 C ANISOU 2193 C ARG B 108 2994 3655 2445 -109 -277 -23 C ATOM 2194 O ARG B 108 10.631 -8.052 -15.080 1.00 26.76 O ANISOU 2194 O ARG B 108 3433 3902 2831 -84 -301 -25 O ATOM 2195 CB AARG B 108 12.679 -6.920 -12.983 0.50 23.02 C ANISOU 2195 CB AARG B 108 2870 3519 2357 -68 -246 -73 C ATOM 2196 CB BARG B 108 12.793 -7.645 -12.419 0.50 24.15 C ANISOU 2196 CB BARG B 108 2982 3722 2471 -105 -227 -34 C ATOM 2197 CG AARG B 108 14.072 -6.803 -12.438 0.50 24.44 C ANISOU 2197 CG AARG B 108 3054 3677 2553 -77 -218 -49 C ATOM 2198 CG BARG B 108 13.125 -6.387 -13.116 0.50 25.59 C ANISOU 2198 CG BARG B 108 3215 3799 2707 -50 -251 -87 C ATOM 2199 CD AARG B 108 14.272 -5.426 -11.916 0.50 24.12 C ANISOU 2199 CD AARG B 108 2981 3640 2543 -27 -258 -136 C ATOM 2200 CD BARG B 108 13.242 -5.181 -12.295 0.50 31.07 C ANISOU 2200 CD BARG B 108 3853 4530 3419 -3 -288 -180 C ATOM 2201 NE AARG B 108 13.457 -5.214 -10.698 0.50 23.70 N ANISOU 2201 NE AARG B 108 2820 3748 2433 -4 -275 -223 N ATOM 2202 NE BARG B 108 13.778 -5.319 -10.959 0.50 35.49 N ANISOU 2202 NE BARG B 108 4343 5197 3942 -14 -267 -194 N ATOM 2203 CZ AARG B 108 13.766 -4.335 -9.744 0.50 27.45 C ANISOU 2203 CZ AARG B 108 3242 4276 2910 41 -309 -312 C ATOM 2204 CZ BARG B 108 13.043 -5.072 -9.898 0.50 39.68 C ANISOU 2204 CZ BARG B 108 4773 5886 4415 11 -281 -278 C ATOM 2205 NH1AARG B 108 13.002 -4.218 -8.654 0.50 28.23 N ANISOU 2205 NH1AARG B 108 3233 4560 2932 70 -315 -403 N ATOM 2206 NH1BARG B 108 13.563 -5.163 -8.665 0.50 40.20 N ANISOU 2206 NH1BARG B 108 4778 6063 4431 0 -266 -292 N ATOM 2207 NH2AARG B 108 14.824 -3.571 -9.872 0.50 27.84 N ANISOU 2207 NH2AARG B 108 3337 4207 3033 59 -342 -313 N ATOM 2208 NH2BARG B 108 11.776 -4.726 -10.092 0.50 40.43 N ANISOU 2208 NH2BARG B 108 4823 6040 4497 51 -312 -355 N ATOM 0 H AARG B 108 12.844 -8.202 -15.310 0.50 23.07 H new ATOM 0 H BARG B 108 12.890 -8.098 -15.229 0.50 23.07 H new ATOM 0 HA AARG B 108 12.437 -8.988 -12.731 0.50 23.44 H new ATOM 0 HA BARG B 108 12.202 -9.489 -12.961 0.50 23.44 H new ATOM 0 HB2AARG B 108 12.588 -6.315 -13.735 0.50 24.15 H new ATOM 0 HB2BARG B 108 12.151 -7.476 -11.711 0.50 24.15 H new ATOM 0 HB3AARG B 108 12.053 -6.624 -12.303 0.50 24.15 H new ATOM 0 HB3BARG B 108 13.586 -8.015 -12.001 0.50 24.15 H new ATOM 0 HG2AARG B 108 14.211 -7.453 -11.731 0.50 25.59 H new ATOM 0 HG2BARG B 108 13.965 -6.515 -13.584 0.50 25.59 H new ATOM 0 HG3AARG B 108 14.721 -6.996 -13.133 0.50 25.59 H new ATOM 0 HG3BARG B 108 12.446 -6.228 -13.790 0.50 25.59 H new ATOM 0 HD2AARG B 108 15.210 -5.283 -11.714 0.50 31.07 H new ATOM 0 HD2BARG B 108 13.799 -4.548 -12.775 0.50 31.07 H new ATOM 0 HD3AARG B 108 14.026 -4.778 -12.594 0.50 31.07 H new ATOM 0 HD3BARG B 108 12.360 -4.785 -12.222 0.50 31.07 H new ATOM 0 HE AARG B 108 12.744 -5.685 -10.600 0.50 35.49 H new ATOM 0 HE BARG B 108 14.595 -5.568 -10.857 0.50 35.49 H new ATOM 0 HH11AARG B 108 12.304 -4.712 -8.563 0.50 40.20 H new ATOM 0 HH11BARG B 108 14.387 -5.385 -8.561 0.50 40.20 H new ATOM 0 HH12AARG B 108 13.208 -3.649 -8.043 0.50 40.20 H new ATOM 0 HH12BARG B 108 13.072 -4.999 -7.978 0.50 40.20 H new ATOM 0 HH21AARG B 108 15.320 -3.636 -10.572 0.50 40.43 H new ATOM 0 HH21BARG B 108 11.463 -4.670 -10.891 0.50 40.43 H new ATOM 0 HH22AARG B 108 15.022 -3.004 -9.256 0.50 40.43 H new ATOM 0 HH22BARG B 108 11.268 -4.558 -9.419 0.50 40.43 H new ATOM 2209 N GLN B 109 9.924 -8.298 -12.929 1.00 27.52 N ANISOU 2209 N GLN B 109 4243 3112 3102 399 -395 129 N ATOM 2210 CA GLN B 109 8.498 -8.089 -13.168 1.00 29.22 C ANISOU 2210 CA GLN B 109 4469 3336 3297 463 -290 -106 C ATOM 2211 C GLN B 109 8.045 -8.956 -14.391 1.00 28.66 C ANISOU 2211 C GLN B 109 4398 3120 3371 627 -276 -60 C ATOM 2212 O GLN B 109 7.353 -8.515 -15.312 1.00 27.44 O ANISOU 2212 O GLN B 109 4250 2894 3279 744 -246 -176 O ATOM 2213 CB GLN B 109 8.223 -6.627 -13.373 1.00 33.10 C ANISOU 2213 CB GLN B 109 4984 3752 3840 546 -243 -348 C ATOM 2214 CG GLN B 109 8.396 -5.706 -12.112 1.00 39.91 C ANISOU 2214 CG GLN B 109 5857 4753 4554 335 -182 -543 C ATOM 2215 CD GLN B 109 8.100 -6.328 -10.690 1.00 49.17 C ANISOU 2215 CD GLN B 109 6982 6269 5431 -16 -123 -572 C ATOM 2216 OE1 GLN B 109 8.902 -7.126 -10.131 1.00 54.39 O ANISOU 2216 OE1 GLN B 109 7658 7069 5938 -236 -256 -250 O ATOM 2217 NE2 GLN B 109 7.004 -5.877 -10.078 1.00 54.42 N ANISOU 2217 NE2 GLN B 109 7561 7084 6031 -115 58 -959 N ATOM 0 H GLN B 109 10.111 -8.459 -12.105 1.00 27.52 H new ATOM 0 HA GLN B 109 7.983 -8.372 -12.397 1.00 29.22 H new ATOM 0 HB2 GLN B 109 8.811 -6.301 -14.072 1.00 33.10 H new ATOM 0 HB3 GLN B 109 7.315 -6.530 -13.699 1.00 33.10 H new ATOM 0 HG2 GLN B 109 9.308 -5.377 -12.108 1.00 39.91 H new ATOM 0 HG3 GLN B 109 7.817 -4.936 -12.225 1.00 39.91 H new ATOM 0 HE21 GLN B 109 6.477 -5.334 -10.486 1.00 54.42 H new ATOM 0 HE22 GLN B 109 6.825 -6.130 -9.276 1.00 54.42 H new HETATM 2218 N MSE B 110 8.558 -10.178 -14.391 1.00 28.23 N ANISOU 2218 N MSE B 110 4327 3000 3398 603 -325 130 N HETATM 2219 CA MSE B 110 8.350 -11.133 -15.428 1.00 30.46 C ANISOU 2219 CA MSE B 110 4620 3127 3825 697 -278 127 C HETATM 2220 C MSE B 110 7.045 -11.822 -15.216 1.00 30.45 C ANISOU 2220 C MSE B 110 4648 3197 3724 599 -263 98 C HETATM 2221 O MSE B 110 6.976 -12.704 -14.383 1.00 35.24 O ANISOU 2221 O MSE B 110 5260 3819 4308 449 -350 256 O HETATM 2222 CB MSE B 110 9.479 -12.137 -15.459 1.00 32.37 C ANISOU 2222 CB MSE B 110 4791 3186 4321 744 -329 285 C HETATM 2223 CG MSE B 110 9.799 -12.592 -16.822 1.00 38.12 C ANISOU 2223 CG MSE B 110 5495 3754 5232 858 -187 127 C HETATM 2224 SE MSE B 110 10.863 -14.216 -16.892 0.80 47.37 SE ANISOU 2224 SE MSE B 110 6502 4566 6928 980 -202 194 SE HETATM 2225 CE MSE B 110 9.343 -15.292 -16.340 1.00 42.75 C ANISOU 2225 CE MSE B 110 6091 3906 6245 818 -304 312 C HETATM 0 H MSE B 110 9.055 -10.472 -13.754 1.00 28.23 H new HETATM 0 HA MSE B 110 8.332 -10.674 -16.282 1.00 30.46 H new HETATM 0 HB2 MSE B 110 10.270 -11.741 -15.061 1.00 32.37 H new HETATM 0 HB3 MSE B 110 9.240 -12.903 -14.914 1.00 32.37 H new HETATM 0 HG2 MSE B 110 8.971 -12.739 -17.306 1.00 38.12 H new HETATM 0 HG3 MSE B 110 10.276 -11.885 -17.284 1.00 38.12 H new HETATM 0 HE1 MSE B 110 9.608 -16.224 -16.287 1.00 42.75 H new HETATM 0 HE2 MSE B 110 9.034 -14.994 -15.470 1.00 42.75 H new HETATM 0 HE3 MSE B 110 8.627 -15.196 -16.987 1.00 42.75 H new ATOM 2226 N VAL B 111 6.022 -11.410 -15.983 1.00 31.27 N ANISOU 2226 N VAL B 111 4756 3356 3767 643 -193 -59 N ATOM 2227 CA VAL B 111 4.648 -11.959 -15.935 1.00 30.62 C ANISOU 2227 CA VAL B 111 4657 3402 3574 539 -167 -114 C ATOM 2228 C VAL B 111 4.197 -12.611 -17.272 1.00 29.04 C ANISOU 2228 C VAL B 111 4511 3114 3405 533 -122 -139 C ATOM 2229 O VAL B 111 3.802 -11.939 -18.204 1.00 27.34 O ANISOU 2229 O VAL B 111 4271 2936 3180 573 -126 -197 O ATOM 2230 CB VAL B 111 3.628 -10.855 -15.485 1.00 31.12 C ANISOU 2230 CB VAL B 111 4587 3670 3564 558 -136 -300 C ATOM 2231 CG1 VAL B 111 2.209 -11.406 -15.330 1.00 33.84 C ANISOU 2231 CG1 VAL B 111 4837 4229 3791 427 -94 -379 C ATOM 2232 CG2 VAL B 111 4.028 -10.288 -14.122 1.00 33.91 C ANISOU 2232 CG2 VAL B 111 4902 4157 3823 458 -116 -368 C ATOM 0 H VAL B 111 6.110 -10.783 -16.565 1.00 31.27 H new ATOM 0 HA VAL B 111 4.661 -12.671 -15.276 1.00 30.62 H new ATOM 0 HB VAL B 111 3.643 -10.175 -16.177 1.00 31.12 H new ATOM 0 HG11 VAL B 111 1.613 -10.693 -15.052 1.00 33.84 H new ATOM 0 HG12 VAL B 111 1.907 -11.766 -16.178 1.00 33.84 H new ATOM 0 HG13 VAL B 111 2.206 -12.109 -14.661 1.00 33.84 H new ATOM 0 HG21 VAL B 111 3.391 -9.607 -13.855 1.00 33.91 H new ATOM 0 HG22 VAL B 111 4.034 -11.001 -13.464 1.00 33.91 H new ATOM 0 HG23 VAL B 111 4.913 -9.896 -14.182 1.00 33.91 H new ATOM 2233 N GLN B 112 4.250 -13.917 -17.317 1.00 29.56 N ANISOU 2233 N GLN B 112 4657 3060 3513 431 -108 -79 N ATOM 2234 CA GLN B 112 4.060 -14.680 -18.551 1.00 31.28 C ANISOU 2234 CA GLN B 112 4957 3165 3762 362 -18 -164 C ATOM 2235 C GLN B 112 2.678 -14.428 -19.138 1.00 30.20 C ANISOU 2235 C GLN B 112 4792 3262 3419 238 -21 -211 C ATOM 2236 O GLN B 112 2.491 -14.394 -20.362 1.00 32.48 O ANISOU 2236 O GLN B 112 5117 3581 3643 142 21 -273 O ATOM 2237 CB GLN B 112 4.220 -16.161 -18.227 1.00 34.24 C ANISOU 2237 CB GLN B 112 5422 3302 4284 266 -28 -102 C ATOM 2238 CG GLN B 112 5.671 -16.683 -18.246 1.00 36.82 C ANISOU 2238 CG GLN B 112 5723 3282 4982 416 -14 -95 C ATOM 2239 CD GLN B 112 5.725 -18.192 -18.055 1.00 44.26 C ANISOU 2239 CD GLN B 112 6742 3865 6208 344 -67 -34 C ATOM 2240 OE1 GLN B 112 6.043 -18.623 -16.954 1.00 47.36 O ANISOU 2240 OE1 GLN B 112 7116 4125 6751 326 -286 244 O ATOM 2241 NE2 GLN B 112 5.387 -19.020 -19.131 1.00 48.80 N ANISOU 2241 NE2 GLN B 112 7417 4270 6855 244 108 -281 N ATOM 0 H GLN B 112 4.399 -14.407 -16.626 1.00 29.56 H new ATOM 0 HA GLN B 112 4.718 -14.402 -19.207 1.00 31.28 H new ATOM 0 HB2 GLN B 112 3.843 -16.328 -17.349 1.00 34.24 H new ATOM 0 HB3 GLN B 112 3.698 -16.675 -18.863 1.00 34.24 H new ATOM 0 HG2 GLN B 112 6.090 -16.447 -19.089 1.00 36.82 H new ATOM 0 HG3 GLN B 112 6.181 -16.249 -17.545 1.00 36.82 H new ATOM 0 HE21 GLN B 112 5.169 -18.674 -19.888 1.00 48.80 H new ATOM 0 HE22 GLN B 112 5.397 -19.875 -19.036 1.00 48.80 H new ATOM 2242 N ALA B 113 1.720 -14.260 -18.243 1.00 29.63 N ANISOU 2242 N ALA B 113 4623 3400 3234 191 -76 -184 N ATOM 2243 CA ALA B 113 0.298 -14.250 -18.587 1.00 29.98 C ANISOU 2243 CA ALA B 113 4566 3693 3129 64 -92 -217 C ATOM 2244 C ALA B 113 -0.029 -12.996 -19.266 1.00 29.86 C ANISOU 2244 C ALA B 113 4401 3756 3187 200 -168 -231 C ATOM 2245 O ALA B 113 -1.012 -12.941 -20.036 1.00 31.04 O ANISOU 2245 O ALA B 113 4456 4062 3275 95 -238 -192 O ATOM 2246 CB ALA B 113 -0.598 -14.376 -17.280 1.00 31.16 C ANISOU 2246 CB ALA B 113 4580 4115 3144 -52 -91 -249 C ATOM 0 H ALA B 113 1.874 -14.146 -17.405 1.00 29.63 H new ATOM 0 HA ALA B 113 0.117 -15.005 -19.168 1.00 29.98 H new ATOM 0 HB1 ALA B 113 -1.536 -14.368 -17.528 1.00 31.16 H new ATOM 0 HB2 ALA B 113 -0.392 -15.208 -16.825 1.00 31.16 H new ATOM 0 HB3 ALA B 113 -0.414 -13.630 -16.688 1.00 31.16 H new ATOM 2247 N HIS B 114 0.778 -11.955 -19.001 1.00 28.20 N ANISOU 2247 N HIS B 114 4161 3426 3125 405 -200 -247 N ATOM 2248 CA HIS B 114 0.612 -10.677 -19.676 1.00 27.29 C ANISOU 2248 CA HIS B 114 3934 3278 3154 529 -342 -205 C ATOM 2249 C HIS B 114 1.614 -10.388 -20.720 1.00 27.10 C ANISOU 2249 C HIS B 114 4063 3116 3116 475 -390 -106 C ATOM 2250 O HIS B 114 1.460 -9.439 -21.435 1.00 31.54 O ANISOU 2250 O HIS B 114 4574 3652 3757 475 -572 13 O ATOM 2251 CB HIS B 114 0.582 -9.567 -18.668 1.00 29.39 C ANISOU 2251 CB HIS B 114 4041 3512 3613 743 -356 -331 C ATOM 2252 CG HIS B 114 -0.632 -9.580 -17.802 1.00 31.58 C ANISOU 2252 CG HIS B 114 4068 4012 3919 755 -287 -512 C ATOM 2253 ND1 HIS B 114 -0.558 -9.478 -16.432 1.00 40.70 N ANISOU 2253 ND1 HIS B 114 5157 5284 5023 739 -136 -728 N ATOM 2254 CD2 HIS B 114 -1.952 -9.558 -18.103 1.00 34.40 C ANISOU 2254 CD2 HIS B 114 4173 4543 4352 749 -344 -539 C ATOM 2255 CE1 HIS B 114 -1.785 -9.484 -15.921 1.00 38.83 C ANISOU 2255 CE1 HIS B 114 4643 5313 4797 696 -54 -932 C ATOM 2256 NE2 HIS B 114 -2.646 -9.539 -16.915 1.00 38.85 N ANISOU 2256 NE2 HIS B 114 4510 5342 4908 737 -182 -817 N ATOM 0 H HIS B 114 1.424 -11.978 -18.433 1.00 28.20 H new ATOM 0 HA HIS B 114 -0.235 -10.740 -20.145 1.00 27.29 H new ATOM 0 HB2 HIS B 114 1.371 -9.628 -18.107 1.00 29.39 H new ATOM 0 HB3 HIS B 114 0.630 -8.717 -19.133 1.00 29.39 H new ATOM 0 HD2 HIS B 114 -2.322 -9.556 -18.956 1.00 34.40 H new ATOM 0 HE1 HIS B 114 -1.999 -9.454 -15.016 1.00 38.83 H new ATOM 0 HE2 HIS B 114 -3.502 -9.560 -16.835 1.00 38.85 H new ATOM 2257 N GLY B 115 2.519 -11.303 -20.959 1.00 25.40 N ANISOU 2257 N GLY B 115 3791 2773 3086 -176 -407 5 N ATOM 2258 CA GLY B 115 3.682 -11.068 -21.796 1.00 25.68 C ANISOU 2258 CA GLY B 115 3873 2769 3115 -140 -354 -86 C ATOM 2259 C GLY B 115 4.309 -9.724 -21.497 1.00 25.40 C ANISOU 2259 C GLY B 115 3844 2784 3021 -108 -302 -67 C ATOM 2260 O GLY B 115 4.725 -9.056 -22.374 1.00 26.49 O ANISOU 2260 O GLY B 115 4011 2946 3108 -104 -276 -92 O ATOM 0 H GLY B 115 2.481 -12.099 -20.635 1.00 25.40 H new ATOM 0 HA2 GLY B 115 4.334 -11.771 -21.652 1.00 25.68 H new ATOM 0 HA3 GLY B 115 3.424 -11.107 -22.730 1.00 25.68 H new ATOM 2261 N ALA B 116 4.503 -9.424 -20.212 1.00 26.07 N ANISOU 2261 N ALA B 116 3881 2897 3126 -97 -300 -19 N ATOM 2262 CA ALA B 116 5.156 -8.206 -19.819 1.00 24.76 C ANISOU 2262 CA ALA B 116 3708 2754 2944 -63 -274 -28 C ATOM 2263 C ALA B 116 6.447 -8.603 -19.065 1.00 24.97 C ANISOU 2263 C ALA B 116 3709 2764 3014 -58 -242 -15 C ATOM 2264 O ALA B 116 6.469 -9.602 -18.348 1.00 27.14 O ANISOU 2264 O ALA B 116 3937 3043 3332 -82 -261 33 O ATOM 2265 CB ALA B 116 4.208 -7.356 -18.894 1.00 26.47 C ANISOU 2265 CB ALA B 116 3860 3058 3138 -38 -308 -38 C ATOM 0 H ALA B 116 4.257 -9.925 -19.558 1.00 26.07 H new ATOM 0 HA ALA B 116 5.370 -7.661 -20.593 1.00 24.76 H new ATOM 0 HB1 ALA B 116 4.658 -6.537 -18.635 1.00 26.47 H new ATOM 0 HB2 ALA B 116 3.395 -7.139 -19.376 1.00 26.47 H new ATOM 0 HB3 ALA B 116 3.986 -7.868 -18.100 1.00 26.47 H new ATOM 2266 N ILE B 117 7.499 -7.854 -19.260 1.00 24.80 N ANISOU 2266 N ILE B 117 3705 2722 2992 -40 -211 -31 N ATOM 2267 CA ILE B 117 8.807 -8.149 -18.608 1.00 23.49 C ANISOU 2267 CA ILE B 117 3513 2548 2864 -34 -178 -16 C ATOM 2268 C ILE B 117 9.594 -6.842 -18.576 1.00 23.57 C ANISOU 2268 C ILE B 117 3527 2559 2867 -23 -168 -22 C ATOM 2269 O ILE B 117 9.288 -5.874 -19.306 1.00 21.32 O ANISOU 2269 O ILE B 117 3268 2257 2574 -28 -197 -20 O ATOM 2270 CB ILE B 117 9.539 -9.230 -19.442 1.00 24.83 C ANISOU 2270 CB ILE B 117 3699 2660 3072 -31 -155 -48 C ATOM 2271 CG1 ILE B 117 10.783 -9.828 -18.744 1.00 24.94 C ANISOU 2271 CG1 ILE B 117 3668 2646 3160 -18 -138 -27 C ATOM 2272 CG2 ILE B 117 9.867 -8.752 -20.794 1.00 25.99 C ANISOU 2272 CG2 ILE B 117 3881 2839 3152 -31 -126 -94 C ATOM 2273 CD1 ILE B 117 11.025 -11.245 -19.294 1.00 24.82 C ANISOU 2273 CD1 ILE B 117 3634 2541 3253 0 -163 -86 C ATOM 0 H ILE B 117 7.504 -7.158 -19.766 1.00 24.80 H new ATOM 0 HA ILE B 117 8.702 -8.486 -17.705 1.00 23.49 H new ATOM 0 HB ILE B 117 8.904 -9.959 -19.523 1.00 24.83 H new ATOM 0 HG12 ILE B 117 11.559 -9.269 -18.903 1.00 24.94 H new ATOM 0 HG13 ILE B 117 10.648 -9.859 -17.784 1.00 24.94 H new ATOM 0 HG21 ILE B 117 10.323 -9.454 -21.284 1.00 25.99 H new ATOM 0 HG22 ILE B 117 9.051 -8.511 -21.259 1.00 25.99 H new ATOM 0 HG23 ILE B 117 10.444 -7.975 -20.732 1.00 25.99 H new ATOM 0 HD11 ILE B 117 11.804 -11.631 -18.863 1.00 24.82 H new ATOM 0 HD12 ILE B 117 10.249 -11.799 -19.115 1.00 24.82 H new ATOM 0 HD13 ILE B 117 11.175 -11.200 -20.251 1.00 24.82 H new ATOM 2274 N GLU B 118 10.583 -6.808 -17.701 1.00 23.49 N ANISOU 2274 N GLU B 118 3479 2565 2879 -19 -149 -10 N ATOM 2275 CA GLU B 118 11.509 -5.677 -17.593 1.00 22.13 C ANISOU 2275 CA GLU B 118 3302 2380 2726 -18 -153 -10 C ATOM 2276 C GLU B 118 12.926 -6.278 -17.695 1.00 22.69 C ANISOU 2276 C GLU B 118 3365 2452 2802 -26 -99 22 C ATOM 2277 O GLU B 118 13.185 -7.337 -17.106 1.00 22.53 O ANISOU 2277 O GLU B 118 3312 2440 2805 -20 -81 36 O ATOM 2278 CB GLU B 118 11.276 -5.018 -16.257 1.00 22.93 C ANISOU 2278 CB GLU B 118 3336 2534 2840 0 -189 -61 C ATOM 2279 CG GLU B 118 12.294 -3.941 -15.916 1.00 24.01 C ANISOU 2279 CG GLU B 118 3453 2640 3030 0 -215 -81 C ATOM 2280 CD GLU B 118 12.049 -3.247 -14.557 1.00 30.01 C ANISOU 2280 CD GLU B 118 4120 3481 3801 31 -261 -198 C ATOM 2281 OE1 GLU B 118 11.060 -3.525 -13.888 1.00 29.17 O ANISOU 2281 OE1 GLU B 118 3951 3495 3636 53 -267 -260 O ATOM 2282 OE2 GLU B 118 12.881 -2.394 -14.194 1.00 30.91 O ANISOU 2282 OE2 GLU B 118 4207 3559 3976 31 -298 -236 O ATOM 0 H GLU B 118 10.744 -7.443 -17.144 1.00 23.49 H new ATOM 0 HA GLU B 118 11.387 -5.007 -18.284 1.00 22.13 H new ATOM 0 HB2 GLU B 118 10.389 -4.626 -16.250 1.00 22.93 H new ATOM 0 HB3 GLU B 118 11.292 -5.697 -15.564 1.00 22.93 H new ATOM 0 HG2 GLU B 118 13.180 -4.337 -15.911 1.00 24.01 H new ATOM 0 HG3 GLU B 118 12.287 -3.270 -16.616 1.00 24.01 H new ATOM 2283 N ILE B 119 13.810 -5.645 -18.443 1.00 21.18 N ANISOU 2283 N ILE B 119 3185 2260 2600 -46 -89 52 N ATOM 2284 CA ILE B 119 15.261 -5.894 -18.349 1.00 23.53 C ANISOU 2284 CA ILE B 119 3451 2588 2899 -49 -43 77 C ATOM 2285 C ILE B 119 15.846 -4.936 -17.358 1.00 25.44 C ANISOU 2285 C ILE B 119 3664 2819 3181 -64 -75 100 C ATOM 2286 O ILE B 119 15.777 -3.709 -17.494 1.00 25.70 O ANISOU 2286 O ILE B 119 3700 2814 3251 -90 -138 120 O ATOM 2287 CB ILE B 119 16.008 -5.779 -19.684 1.00 25.12 C ANISOU 2287 CB ILE B 119 3643 2864 3036 -75 -12 103 C ATOM 2288 CG1 ILE B 119 15.556 -6.891 -20.595 1.00 26.87 C ANISOU 2288 CG1 ILE B 119 3867 3124 3215 -46 20 20 C ATOM 2289 CG2 ILE B 119 17.581 -5.872 -19.551 1.00 24.07 C ANISOU 2289 CG2 ILE B 119 3455 2794 2896 -79 33 131 C ATOM 2290 CD1 ILE B 119 15.982 -6.609 -22.122 1.00 27.42 C ANISOU 2290 CD1 ILE B 119 3897 3364 3156 -86 46 29 C ATOM 0 H ILE B 119 13.596 -5.052 -19.028 1.00 21.18 H new ATOM 0 HA ILE B 119 15.371 -6.815 -18.065 1.00 23.53 H new ATOM 0 HB ILE B 119 15.798 -4.900 -20.037 1.00 25.12 H new ATOM 0 HG12 ILE B 119 15.942 -7.731 -20.300 1.00 26.87 H new ATOM 0 HG13 ILE B 119 14.592 -6.986 -20.539 1.00 26.87 H new ATOM 0 HG21 ILE B 119 17.985 -5.792 -20.429 1.00 24.07 H new ATOM 0 HG22 ILE B 119 17.901 -5.155 -18.982 1.00 24.07 H new ATOM 0 HG23 ILE B 119 17.823 -6.726 -19.161 1.00 24.07 H new ATOM 0 HD11 ILE B 119 15.678 -7.340 -22.683 1.00 27.42 H new ATOM 0 HD12 ILE B 119 15.577 -5.781 -22.423 1.00 27.42 H new ATOM 0 HD13 ILE B 119 16.948 -6.537 -22.181 1.00 27.42 H new ATOM 2291 N GLY B 120 16.430 -5.528 -16.331 1.00 24.27 N ANISOU 2291 N GLY B 120 3472 2699 3047 -52 -49 101 N ATOM 2292 CA GLY B 120 17.004 -4.759 -15.236 1.00 25.02 C ANISOU 2292 CA GLY B 120 3520 2819 3163 -66 -76 97 C ATOM 2293 C GLY B 120 18.133 -5.479 -14.518 1.00 24.69 C ANISOU 2293 C GLY B 120 3424 2831 3124 -71 -34 145 C ATOM 2294 O GLY B 120 18.786 -6.375 -15.064 1.00 23.12 O ANISOU 2294 O GLY B 120 3223 2623 2939 -57 10 180 O ATOM 0 H GLY B 120 16.506 -6.380 -16.246 1.00 24.27 H new ATOM 0 HA2 GLY B 120 17.336 -3.915 -15.581 1.00 25.02 H new ATOM 0 HA3 GLY B 120 16.306 -4.549 -14.597 1.00 25.02 H new ATOM 2295 N HIS B 121 18.369 -5.051 -13.289 1.00 25.38 N ANISOU 2295 N HIS B 121 3449 2988 3204 -86 -59 128 N ATOM 2296 CA HIS B 121 19.531 -5.459 -12.514 1.00 24.80 C ANISOU 2296 CA HIS B 121 3310 2981 3132 -106 -35 192 C ATOM 2297 C HIS B 121 20.824 -5.450 -13.337 1.00 26.33 C ANISOU 2297 C HIS B 121 3522 3129 3351 -110 3 247 C ATOM 2298 O HIS B 121 21.647 -6.333 -13.218 1.00 27.34 O ANISOU 2298 O HIS B 121 3607 3277 3503 -100 39 304 O ATOM 2299 CB HIS B 121 19.289 -6.796 -11.870 1.00 24.96 C ANISOU 2299 CB HIS B 121 3268 3059 3154 -111 -26 267 C ATOM 2300 CG HIS B 121 18.271 -6.755 -10.773 1.00 25.32 C ANISOU 2300 CG HIS B 121 3239 3252 3129 -137 -64 250 C ATOM 2301 ND1 HIS B 121 17.084 -7.443 -10.842 1.00 26.83 N ANISOU 2301 ND1 HIS B 121 3425 3458 3310 -140 -84 274 N ATOM 2302 CD2 HIS B 121 18.245 -6.087 -9.598 1.00 23.18 C ANISOU 2302 CD2 HIS B 121 2873 3160 2775 -164 -89 195 C ATOM 2303 CE1 HIS B 121 16.393 -7.235 -9.741 1.00 22.79 C ANISOU 2303 CE1 HIS B 121 2806 3153 2697 -174 -113 258 C ATOM 2304 NE2 HIS B 121 17.060 -6.412 -8.974 1.00 28.45 N ANISOU 2304 NE2 HIS B 121 3462 3986 3361 -183 -114 189 N ATOM 0 H HIS B 121 17.850 -4.506 -12.873 1.00 25.38 H new ATOM 0 HA HIS B 121 19.658 -4.800 -11.813 1.00 24.80 H new ATOM 0 HB2 HIS B 121 18.998 -7.426 -12.548 1.00 24.96 H new ATOM 0 HB3 HIS B 121 20.126 -7.131 -11.512 1.00 24.96 H new ATOM 0 HD2 HIS B 121 18.903 -5.516 -9.272 1.00 23.18 H new ATOM 0 HE1 HIS B 121 15.566 -7.611 -9.541 1.00 22.79 H new ATOM 0 HE2 HIS B 121 16.802 -6.122 -8.207 1.00 28.45 H new ATOM 2305 N VAL B 122 21.019 -4.428 -14.166 1.00 27.33 N ANISOU 2305 N VAL B 122 3689 3211 3481 -130 -18 242 N ATOM 2306 CA VAL B 122 22.249 -4.382 -14.983 1.00 28.70 C ANISOU 2306 CA VAL B 122 3848 3413 3643 -151 17 314 C ATOM 2307 C VAL B 122 23.397 -3.955 -14.087 1.00 28.76 C ANISOU 2307 C VAL B 122 3798 3461 3668 -187 6 357 C ATOM 2308 O VAL B 122 23.441 -2.814 -13.642 1.00 30.52 O ANISOU 2308 O VAL B 122 4015 3652 3928 -229 -67 343 O ATOM 2309 CB VAL B 122 22.117 -3.410 -16.231 1.00 32.16 C ANISOU 2309 CB VAL B 122 4316 3835 4066 -199 -21 360 C ATOM 2310 CG1 VAL B 122 23.428 -3.303 -17.039 1.00 31.48 C ANISOU 2310 CG1 VAL B 122 4174 3861 3926 -244 13 459 C ATOM 2311 CG2 VAL B 122 20.989 -3.937 -17.137 1.00 31.68 C ANISOU 2311 CG2 VAL B 122 4302 3765 3967 -167 -3 315 C ATOM 0 H VAL B 122 20.478 -3.769 -14.275 1.00 27.33 H new ATOM 0 HA VAL B 122 22.412 -5.265 -15.349 1.00 28.70 H new ATOM 0 HB VAL B 122 21.916 -2.519 -15.903 1.00 32.16 H new ATOM 0 HG11 VAL B 122 23.298 -2.701 -17.788 1.00 31.48 H new ATOM 0 HG12 VAL B 122 24.133 -2.961 -16.468 1.00 31.48 H new ATOM 0 HG13 VAL B 122 23.677 -4.180 -17.369 1.00 31.48 H new ATOM 0 HG21 VAL B 122 20.893 -3.355 -17.907 1.00 31.68 H new ATOM 0 HG22 VAL B 122 21.206 -4.834 -17.436 1.00 31.68 H new ATOM 0 HG23 VAL B 122 20.156 -3.955 -16.640 1.00 31.68 H new ATOM 2312 N ASN B 123 24.317 -4.885 -13.834 1.00 28.91 N ANISOU 2312 N ASN B 123 3762 3537 3683 -165 63 397 N ATOM 2313 CA ASN B 123 25.451 -4.630 -12.963 1.00 30.12 C ANISOU 2313 CA ASN B 123 3850 3749 3845 -200 58 451 C ATOM 2314 C ASN B 123 26.709 -5.057 -13.705 1.00 30.67 C ANISOU 2314 C ASN B 123 3870 3880 3901 -190 117 512 C ATOM 2315 O ASN B 123 27.016 -6.243 -13.751 1.00 31.06 O ANISOU 2315 O ASN B 123 3875 3941 3984 -128 161 504 O ATOM 2316 CB ASN B 123 25.289 -5.434 -11.655 1.00 29.30 C ANISOU 2316 CB ASN B 123 3688 3691 3752 -189 57 461 C ATOM 2317 CG ASN B 123 24.317 -4.823 -10.764 1.00 30.33 C ANISOU 2317 CG ASN B 123 3816 3856 3851 -211 2 387 C ATOM 2318 OD1 ASN B 123 24.656 -3.925 -10.031 1.00 34.17 O ANISOU 2318 OD1 ASN B 123 4264 4395 4323 -250 -40 346 O ATOM 2319 ND2 ASN B 123 23.028 -5.239 -10.855 1.00 28.93 N ANISOU 2319 ND2 ASN B 123 3668 3660 3663 -183 -4 342 N ATOM 0 H ASN B 123 24.297 -5.679 -14.164 1.00 28.91 H new ATOM 0 HA ASN B 123 25.508 -3.690 -12.732 1.00 30.12 H new ATOM 0 HB2 ASN B 123 25.012 -6.340 -11.864 1.00 29.30 H new ATOM 0 HB3 ASN B 123 26.146 -5.496 -11.205 1.00 29.30 H new ATOM 0 HD21 ASN B 123 22.419 -4.860 -10.380 1.00 28.93 H new ATOM 0 HD22 ASN B 123 22.820 -5.882 -11.387 1.00 28.93 H new ATOM 2320 N PHE B 124 27.382 -4.123 -14.337 1.00 31.95 N ANISOU 2320 N PHE B 124 4022 4086 4031 -249 101 572 N ATOM 2321 CA PHE B 124 28.476 -4.457 -15.252 1.00 34.06 C ANISOU 2321 CA PHE B 124 4216 4482 4242 -244 162 620 C ATOM 2322 C PHE B 124 29.748 -3.891 -14.661 1.00 36.40 C ANISOU 2322 C PHE B 124 4446 4840 4542 -307 145 719 C ATOM 2323 O PHE B 124 29.766 -2.749 -14.201 1.00 38.41 O ANISOU 2323 O PHE B 124 4720 5040 4830 -391 61 769 O ATOM 2324 CB PHE B 124 28.263 -3.855 -16.621 1.00 34.22 C ANISOU 2324 CB PHE B 124 4240 4580 4182 -292 154 660 C ATOM 2325 CG PHE B 124 27.197 -4.522 -17.436 1.00 32.53 C ANISOU 2325 CG PHE B 124 4067 4356 3935 -229 185 557 C ATOM 2326 CD1 PHE B 124 26.628 -5.720 -17.068 1.00 35.71 C ANISOU 2326 CD1 PHE B 124 4493 4676 4399 -129 218 436 C ATOM 2327 CD2 PHE B 124 26.776 -3.939 -18.610 1.00 33.39 C ANISOU 2327 CD2 PHE B 124 4176 4550 3960 -288 164 605 C ATOM 2328 CE1 PHE B 124 25.664 -6.315 -17.839 1.00 30.31 C ANISOU 2328 CE1 PHE B 124 3842 3975 3696 -78 232 336 C ATOM 2329 CE2 PHE B 124 25.840 -4.535 -19.407 1.00 35.26 C ANISOU 2329 CE2 PHE B 124 4440 4807 4150 -238 192 506 C ATOM 2330 CZ PHE B 124 25.268 -5.729 -19.014 1.00 34.44 C ANISOU 2330 CZ PHE B 124 4371 4600 4113 -127 228 355 C ATOM 0 H PHE B 124 27.228 -3.281 -14.257 1.00 31.95 H new ATOM 0 HA PHE B 124 28.521 -5.420 -15.357 1.00 34.06 H new ATOM 0 HB2 PHE B 124 28.036 -2.918 -16.518 1.00 34.22 H new ATOM 0 HB3 PHE B 124 29.099 -3.892 -17.111 1.00 34.22 H new ATOM 0 HD1 PHE B 124 26.903 -6.133 -16.282 1.00 35.71 H new ATOM 0 HD2 PHE B 124 27.137 -3.121 -18.866 1.00 33.39 H new ATOM 0 HE1 PHE B 124 25.278 -7.116 -17.566 1.00 30.31 H new ATOM 0 HE2 PHE B 124 25.589 -4.139 -20.210 1.00 35.26 H new ATOM 0 HZ PHE B 124 24.618 -6.133 -19.543 1.00 34.44 H new ATOM 2331 N SER B 125 30.792 -4.708 -14.691 1.00 39.53 N ANISOU 2331 N SER B 125 4752 5340 4926 -260 211 730 N ATOM 2332 CA SER B 125 32.120 -4.343 -14.125 1.00 42.79 C ANISOU 2332 CA SER B 125 5084 5835 5337 -314 206 831 C ATOM 2333 C SER B 125 32.678 -3.223 -14.957 1.00 43.81 C ANISOU 2333 C SER B 125 5181 6070 5395 -423 172 948 C ATOM 2334 O SER B 125 32.253 -3.047 -16.090 1.00 45.92 O ANISOU 2334 O SER B 125 5451 6403 5594 -439 178 954 O ATOM 2335 CB SER B 125 33.075 -5.555 -14.157 1.00 42.88 C ANISOU 2335 CB SER B 125 4986 5939 5367 -221 281 806 C ATOM 2336 OG SER B 125 33.442 -5.841 -15.499 1.00 44.77 O ANISOU 2336 OG SER B 125 5152 6337 5520 -179 341 757 O ATOM 0 H SER B 125 30.766 -5.495 -15.037 1.00 39.53 H new ATOM 0 HA SER B 125 32.025 -4.067 -13.200 1.00 42.79 H new ATOM 0 HB2 SER B 125 33.867 -5.368 -13.629 1.00 42.88 H new ATOM 0 HB3 SER B 125 32.644 -6.328 -13.759 1.00 42.88 H new ATOM 0 HG SER B 125 32.916 -6.413 -15.818 1.00 44.77 H new ATOM 2337 N PRO B 126 33.650 -2.453 -14.413 1.00 46.90 N ANISOU 2337 N PRO B 126 5522 6495 5801 -516 121 1063 N ATOM 2338 CA PRO B 126 34.223 -1.398 -15.247 1.00 47.62 C ANISOU 2338 CA PRO B 126 5557 6691 5843 -646 62 1226 C ATOM 2339 C PRO B 126 34.792 -1.917 -16.538 1.00 47.88 C ANISOU 2339 C PRO B 126 5475 6990 5724 -629 153 1262 C ATOM 2340 O PRO B 126 34.667 -1.248 -17.564 1.00 48.18 O ANISOU 2340 O PRO B 126 5475 7145 5686 -728 110 1382 O ATOM 2341 CB PRO B 126 35.369 -0.852 -14.373 1.00 48.67 C ANISOU 2341 CB PRO B 126 5630 6841 6020 -727 11 1326 C ATOM 2342 CG PRO B 126 34.913 -1.028 -13.022 1.00 48.58 C ANISOU 2342 CG PRO B 126 5685 6673 6099 -677 -10 1206 C ATOM 2343 CD PRO B 126 34.146 -2.352 -13.024 1.00 46.56 C ANISOU 2343 CD PRO B 126 5467 6399 5824 -534 89 1069 C ATOM 0 HA PRO B 126 33.553 -0.744 -15.503 1.00 47.62 H new ATOM 0 HB2 PRO B 126 36.195 -1.336 -14.532 1.00 48.67 H new ATOM 0 HB3 PRO B 126 35.546 0.082 -14.567 1.00 48.67 H new ATOM 0 HG2 PRO B 126 35.658 -1.056 -12.402 1.00 48.58 H new ATOM 0 HG3 PRO B 126 34.343 -0.293 -12.747 1.00 48.58 H new ATOM 0 HD2 PRO B 126 34.720 -3.099 -12.793 1.00 46.56 H new ATOM 0 HD3 PRO B 126 33.418 -2.345 -12.383 1.00 46.56 H new ATOM 2344 N ALA B 127 35.420 -3.096 -16.486 1.00 48.00 N ANISOU 2344 N ALA B 127 5412 7121 5703 -507 263 1158 N ATOM 2345 CA ALA B 127 35.932 -3.773 -17.703 1.00 50.30 C ANISOU 2345 CA ALA B 127 5562 7703 5847 -447 360 1100 C ATOM 2346 C ALA B 127 34.865 -4.026 -18.782 1.00 50.77 C ANISOU 2346 C ALA B 127 5650 7810 5828 -410 382 996 C ATOM 2347 O ALA B 127 35.181 -3.966 -19.958 1.00 50.24 O ANISOU 2347 O ALA B 127 5454 8049 5585 -444 421 1017 O ATOM 2348 CB ALA B 127 36.645 -5.096 -17.341 1.00 51.43 C ANISOU 2348 CB ALA B 127 5614 7885 6042 -284 446 946 C ATOM 0 H ALA B 127 35.564 -3.528 -15.756 1.00 48.00 H new ATOM 0 HA ALA B 127 36.568 -3.152 -18.092 1.00 50.30 H new ATOM 0 HB1 ALA B 127 36.971 -5.520 -18.150 1.00 51.43 H new ATOM 0 HB2 ALA B 127 37.392 -4.910 -16.751 1.00 51.43 H new ATOM 0 HB3 ALA B 127 36.020 -5.689 -16.895 1.00 51.43 H new ATOM 2349 N LEU B 128 33.623 -4.333 -18.381 1.00 43.76 N ANISOU 2349 N LEU B 128 5471 6042 5112 -557 202 924 N ATOM 2350 CA LEU B 128 32.518 -4.568 -19.374 1.00 44.26 C ANISOU 2350 CA LEU B 128 5591 6073 5153 -461 244 832 C ATOM 2351 C LEU B 128 31.876 -3.261 -19.823 1.00 45.22 C ANISOU 2351 C LEU B 128 5802 6203 5174 -464 298 781 C ATOM 2352 O LEU B 128 31.486 -3.154 -20.959 1.00 44.59 O ANISOU 2352 O LEU B 128 5757 6114 5068 -407 330 745 O ATOM 2353 CB LEU B 128 31.370 -5.356 -18.768 1.00 43.53 C ANISOU 2353 CB LEU B 128 5513 5965 5061 -487 177 843 C ATOM 2354 CG LEU B 128 30.741 -6.601 -19.386 1.00 41.97 C ANISOU 2354 CG LEU B 128 5290 5691 4963 -399 138 808 C ATOM 2355 CD1 LEU B 128 29.503 -7.015 -18.495 1.00 42.34 C ANISOU 2355 CD1 LEU B 128 5368 5771 4948 -493 70 851 C ATOM 2356 CD2 LEU B 128 30.385 -6.633 -20.784 1.00 39.35 C ANISOU 2356 CD2 LEU B 128 4981 5345 4625 -281 217 685 C ATOM 0 H LEU B 128 33.387 -4.412 -17.558 1.00 43.76 H new ATOM 0 HA LEU B 128 32.942 -5.042 -20.106 1.00 44.26 H new ATOM 0 HB2 LEU B 128 31.665 -5.618 -17.882 1.00 43.53 H new ATOM 0 HB3 LEU B 128 30.645 -4.722 -18.649 1.00 43.53 H new ATOM 0 HG LEU B 128 31.476 -7.234 -19.386 1.00 41.97 H new ATOM 0 HD11 LEU B 128 29.085 -7.807 -18.869 1.00 42.34 H new ATOM 0 HD12 LEU B 128 29.803 -7.204 -17.592 1.00 42.34 H new ATOM 0 HD13 LEU B 128 28.860 -6.289 -18.476 1.00 42.34 H new ATOM 0 HD21 LEU B 128 30.001 -7.497 -21.001 1.00 39.35 H new ATOM 0 HD22 LEU B 128 29.737 -5.936 -20.969 1.00 39.35 H new ATOM 0 HD23 LEU B 128 31.178 -6.488 -21.323 1.00 39.35 H new ATOM 2357 N ARG B 129 31.658 -2.343 -18.866 1.00 47.14 N ANISOU 2357 N ARG B 129 6059 6465 5384 -548 284 766 N ATOM 2358 CA ARG B 129 31.006 -1.015 -19.114 1.00 47.87 C ANISOU 2358 CA ARG B 129 6193 6501 5493 -550 280 692 C ATOM 2359 C ARG B 129 31.907 -0.048 -19.870 1.00 49.27 C ANISOU 2359 C ARG B 129 6382 6643 5693 -564 276 771 C ATOM 2360 O ARG B 129 32.397 -0.348 -20.952 1.00 49.64 O ANISOU 2360 O ARG B 129 6439 6724 5695 -543 302 841 O ATOM 2361 CB ARG B 129 30.559 -0.342 -17.779 1.00 48.41 C ANISOU 2361 CB ARG B 129 6209 6615 5567 -647 268 566 C ATOM 0 H ARG B 129 31.882 -2.464 -18.045 1.00 47.14 H new ATOM 0 HA ARG B 129 30.230 -1.205 -19.664 1.00 47.87 H new ATOM 2362 N ARG B 132 31.732 -3.496 -26.193 1.00 46.39 N ANISOU 2362 N ARG B 132 5912 6772 4941 -467 509 610 N ATOM 2363 CA ARG B 132 30.626 -3.935 -27.057 1.00 45.59 C ANISOU 2363 CA ARG B 132 5840 6713 4768 -450 503 553 C ATOM 2364 C ARG B 132 29.957 -5.141 -26.399 1.00 43.89 C ANISOU 2364 C ARG B 132 5607 6349 4718 -293 494 431 C ATOM 2365 O ARG B 132 28.832 -5.524 -26.756 1.00 44.38 O ANISOU 2365 O ARG B 132 5714 6378 4768 -248 470 392 O ATOM 2366 CB ARG B 132 31.136 -4.250 -28.472 1.00 47.52 C ANISOU 2366 CB ARG B 132 5971 7258 4823 -569 596 442 C ATOM 0 HA ARG B 132 29.969 -3.228 -27.156 1.00 45.59 H new ATOM 2367 N LEU B 133 30.625 -5.723 -25.400 1.00 42.31 N ANISOU 2367 N LEU B 133 5339 6053 4682 -233 486 402 N ATOM 2368 CA LEU B 133 30.097 -6.929 -24.800 1.00 41.92 C ANISOU 2368 CA LEU B 133 5252 5869 4807 -133 432 339 C ATOM 2369 C LEU B 133 28.899 -6.568 -23.890 1.00 39.27 C ANISOU 2369 C LEU B 133 5046 5423 4452 -136 362 447 C ATOM 2370 O LEU B 133 27.952 -7.329 -23.793 1.00 38.51 O ANISOU 2370 O LEU B 133 4959 5263 4407 -88 324 410 O ATOM 2371 CB LEU B 133 31.168 -7.648 -24.038 1.00 43.55 C ANISOU 2371 CB LEU B 133 5328 5999 5218 -108 388 325 C ATOM 2372 CG LEU B 133 32.345 -8.189 -24.847 1.00 45.94 C ANISOU 2372 CG LEU B 133 5436 6396 5623 -86 452 130 C ATOM 2373 CD1 LEU B 133 33.450 -7.140 -24.991 1.00 49.94 C ANISOU 2373 CD1 LEU B 133 5933 7049 5993 -183 528 177 C ATOM 2374 CD2 LEU B 133 32.879 -9.445 -24.154 1.00 49.68 C ANISOU 2374 CD2 LEU B 133 5741 6680 6452 -8 327 78 C ATOM 0 H LEU B 133 31.366 -5.438 -25.068 1.00 42.31 H new ATOM 0 HA LEU B 133 29.785 -7.528 -25.496 1.00 41.92 H new ATOM 0 HB2 LEU B 133 31.517 -7.044 -23.364 1.00 43.55 H new ATOM 0 HB3 LEU B 133 30.758 -8.391 -23.568 1.00 43.55 H new ATOM 0 HG LEU B 133 32.043 -8.410 -25.742 1.00 45.94 H new ATOM 0 HD11 LEU B 133 34.183 -7.510 -25.508 1.00 49.94 H new ATOM 0 HD12 LEU B 133 33.097 -6.358 -25.445 1.00 49.94 H new ATOM 0 HD13 LEU B 133 33.771 -6.885 -24.112 1.00 49.94 H new ATOM 0 HD21 LEU B 133 33.628 -9.799 -24.658 1.00 49.68 H new ATOM 0 HD22 LEU B 133 33.171 -9.220 -23.257 1.00 49.68 H new ATOM 0 HD23 LEU B 133 32.177 -10.112 -24.107 1.00 49.68 H new ATOM 2375 N ALA B 134 28.968 -5.374 -23.305 1.00 37.54 N ANISOU 2375 N ALA B 134 4896 5198 4167 -202 350 545 N ATOM 2376 CA ALA B 134 27.896 -4.776 -22.449 1.00 35.42 C ANISOU 2376 CA ALA B 134 4700 4868 3888 -227 304 564 C ATOM 2377 C ALA B 134 26.621 -4.640 -23.244 1.00 34.30 C ANISOU 2377 C ALA B 134 4617 4699 3717 -184 288 515 C ATOM 2378 O ALA B 134 25.507 -4.997 -22.798 1.00 33.27 O ANISOU 2378 O ALA B 134 4501 4530 3609 -163 263 460 O ATOM 2379 CB ALA B 134 28.374 -3.331 -21.968 1.00 35.36 C ANISOU 2379 CB ALA B 134 4712 4852 3869 -300 292 613 C ATOM 0 H ALA B 134 29.654 -4.862 -23.388 1.00 37.54 H new ATOM 0 HA ALA B 134 27.732 -5.348 -21.683 1.00 35.42 H new ATOM 0 HB1 ALA B 134 27.687 -2.931 -21.411 1.00 35.36 H new ATOM 0 HB2 ALA B 134 29.195 -3.415 -21.458 1.00 35.36 H new ATOM 0 HB3 ALA B 134 28.531 -2.768 -22.742 1.00 35.36 H new ATOM 2380 N THR B 135 26.766 -4.037 -24.431 1.00 35.10 N ANISOU 2380 N THR B 135 4743 4840 3751 -203 290 553 N ATOM 2381 CA THR B 135 25.658 -3.880 -25.360 1.00 34.55 C ANISOU 2381 CA THR B 135 4722 4757 3648 -190 245 548 C ATOM 2382 C THR B 135 25.050 -5.195 -25.814 1.00 32.71 C ANISOU 2382 C THR B 135 4470 4560 3398 -119 283 445 C ATOM 2383 O THR B 135 23.850 -5.357 -25.905 1.00 31.95 O ANISOU 2383 O THR B 135 4409 4406 3323 -78 243 406 O ATOM 2384 CB THR B 135 26.126 -3.052 -26.586 1.00 36.73 C ANISOU 2384 CB THR B 135 5012 5128 3813 -298 210 670 C ATOM 2385 OG1 THR B 135 26.386 -1.721 -26.122 1.00 40.24 O ANISOU 2385 OG1 THR B 135 5477 5467 4345 -358 120 780 O ATOM 2386 CG2 THR B 135 25.089 -3.041 -27.670 1.00 36.81 C ANISOU 2386 CG2 THR B 135 5059 5165 3759 -323 143 700 C ATOM 0 H THR B 135 27.510 -3.711 -24.713 1.00 35.10 H new ATOM 0 HA THR B 135 24.955 -3.413 -24.882 1.00 34.55 H new ATOM 0 HB THR B 135 26.924 -3.448 -26.971 1.00 36.73 H new ATOM 0 HG1 THR B 135 26.644 -1.245 -26.765 1.00 40.24 H new ATOM 0 HG21 THR B 135 25.410 -2.517 -28.420 1.00 36.81 H new ATOM 0 HG22 THR B 135 24.916 -3.950 -27.962 1.00 36.81 H new ATOM 0 HG23 THR B 135 24.269 -2.649 -27.330 1.00 36.81 H new ATOM 2387 N GLU B 136 25.886 -6.175 -26.086 1.00 34.12 N ANISOU 2387 N GLU B 136 4566 4818 3579 -99 350 372 N ATOM 2388 CA GLU B 136 25.361 -7.456 -26.547 1.00 34.08 C ANISOU 2388 CA GLU B 136 4509 4818 3620 -26 367 240 C ATOM 2389 C GLU B 136 24.623 -8.206 -25.440 1.00 32.53 C ANISOU 2389 C GLU B 136 4321 4480 3556 27 308 242 C ATOM 2390 O GLU B 136 23.654 -8.951 -25.714 1.00 28.95 O ANISOU 2390 O GLU B 136 3871 3992 3135 76 287 174 O ATOM 2391 CB GLU B 136 26.509 -8.314 -27.135 1.00 36.38 C ANISOU 2391 CB GLU B 136 4649 5211 3960 -15 436 93 C ATOM 2392 CG GLU B 136 26.071 -9.735 -27.486 1.00 38.92 C ANISOU 2392 CG GLU B 136 4869 5489 4427 74 430 -90 C ATOM 2393 CD GLU B 136 26.937 -10.435 -28.541 1.00 47.17 C ANISOU 2393 CD GLU B 136 5719 6694 5509 74 517 -351 C ATOM 2394 OE1 GLU B 136 26.398 -11.410 -29.175 1.00 47.19 O ANISOU 2394 OE1 GLU B 136 5631 6704 5594 131 524 -552 O ATOM 2395 OE2 GLU B 136 28.121 -10.003 -28.748 1.00 49.61 O ANISOU 2395 OE2 GLU B 136 5944 7138 5764 8 584 -387 O ATOM 0 H GLU B 136 26.742 -6.129 -26.015 1.00 34.12 H new ATOM 0 HA GLU B 136 24.710 -7.280 -27.244 1.00 34.08 H new ATOM 0 HB2 GLU B 136 26.855 -7.881 -27.931 1.00 36.38 H new ATOM 0 HB3 GLU B 136 27.237 -8.354 -26.495 1.00 36.38 H new ATOM 0 HG2 GLU B 136 26.074 -10.270 -26.677 1.00 38.92 H new ATOM 0 HG3 GLU B 136 25.155 -9.708 -27.804 1.00 38.92 H new ATOM 2396 N ALA B 137 25.086 -8.041 -24.196 1.00 30.63 N ANISOU 2396 N ALA B 137 4075 4190 3373 -13 274 327 N ATOM 2397 CA ALA B 137 24.436 -8.736 -23.057 1.00 30.33 C ANISOU 2397 CA ALA B 137 4029 4089 3406 -42 202 369 C ATOM 2398 C ALA B 137 22.974 -8.310 -22.983 1.00 30.43 C ANISOU 2398 C ALA B 137 4112 4108 3341 -49 200 328 C ATOM 2399 O ALA B 137 22.069 -9.124 -23.031 1.00 31.13 O ANISOU 2399 O ALA B 137 4197 4170 3460 -29 169 293 O ATOM 2400 CB ALA B 137 25.208 -8.419 -21.723 1.00 31.71 C ANISOU 2400 CB ALA B 137 4177 4284 3585 -150 164 483 C ATOM 0 H ALA B 137 25.757 -7.546 -23.986 1.00 30.63 H new ATOM 0 HA ALA B 137 24.467 -9.697 -23.187 1.00 30.33 H new ATOM 0 HB1 ALA B 137 24.778 -8.876 -20.984 1.00 31.71 H new ATOM 0 HB2 ALA B 137 26.126 -8.723 -21.800 1.00 31.71 H new ATOM 0 HB3 ALA B 137 25.197 -7.463 -21.562 1.00 31.71 H new ATOM 2401 N VAL B 138 22.735 -6.996 -23.015 1.00 31.14 N ANISOU 2401 N VAL B 138 4248 4212 3369 -67 220 312 N ATOM 2402 CA VAL B 138 21.377 -6.482 -23.005 1.00 31.54 C ANISOU 2402 CA VAL B 138 4325 4239 3417 -58 200 229 C ATOM 2403 C VAL B 138 20.578 -6.938 -24.192 1.00 30.52 C ANISOU 2403 C VAL B 138 4230 4081 3283 20 187 194 C ATOM 2404 O VAL B 138 19.478 -7.372 -24.067 1.00 27.29 O ANISOU 2404 O VAL B 138 3821 3660 2889 36 170 127 O ATOM 2405 CB VAL B 138 21.327 -4.950 -22.857 1.00 31.40 C ANISOU 2405 CB VAL B 138 4308 4180 3442 -81 174 197 C ATOM 2406 CG1 VAL B 138 19.879 -4.444 -22.979 1.00 31.47 C ANISOU 2406 CG1 VAL B 138 4300 4120 3536 -48 121 70 C ATOM 2407 CG2 VAL B 138 21.924 -4.528 -21.476 1.00 32.97 C ANISOU 2407 CG2 VAL B 138 4448 4444 3636 -180 198 170 C ATOM 0 H VAL B 138 23.347 -6.393 -23.043 1.00 31.14 H new ATOM 0 HA VAL B 138 20.960 -6.862 -22.216 1.00 31.54 H new ATOM 0 HB VAL B 138 21.855 -4.553 -23.567 1.00 31.40 H new ATOM 0 HG11 VAL B 138 19.864 -3.479 -22.884 1.00 31.47 H new ATOM 0 HG12 VAL B 138 19.523 -4.688 -23.848 1.00 31.47 H new ATOM 0 HG13 VAL B 138 19.336 -4.846 -22.283 1.00 31.47 H new ATOM 0 HG21 VAL B 138 21.889 -3.562 -21.390 1.00 32.97 H new ATOM 0 HG22 VAL B 138 21.408 -4.935 -20.762 1.00 32.97 H new ATOM 0 HG23 VAL B 138 22.846 -4.824 -21.417 1.00 32.97 H new ATOM 2408 N PHE B 139 21.105 -6.763 -25.405 1.00 33.03 N ANISOU 2408 N PHE B 139 4569 4425 3554 41 196 234 N ATOM 2409 CA PHE B 139 20.375 -7.190 -26.567 1.00 32.07 C ANISOU 2409 CA PHE B 139 4466 4329 3388 78 185 196 C ATOM 2410 C PHE B 139 20.019 -8.683 -26.581 1.00 32.40 C ANISOU 2410 C PHE B 139 4467 4369 3471 134 209 103 C ATOM 2411 O PHE B 139 18.904 -9.135 -27.046 1.00 29.26 O ANISOU 2411 O PHE B 139 4086 3956 3073 172 186 41 O ATOM 2412 CB PHE B 139 21.270 -6.910 -27.786 1.00 34.50 C ANISOU 2412 CB PHE B 139 4765 4763 3577 22 210 243 C ATOM 2413 CG PHE B 139 20.700 -7.423 -29.047 1.00 36.22 C ANISOU 2413 CG PHE B 139 4977 5086 3698 13 213 186 C ATOM 2414 CD1 PHE B 139 19.644 -6.769 -29.651 1.00 38.96 C ANISOU 2414 CD1 PHE B 139 5383 5408 4011 -18 113 260 C ATOM 2415 CD2 PHE B 139 21.187 -8.616 -29.624 1.00 39.72 C ANISOU 2415 CD2 PHE B 139 5327 5646 4116 35 301 29 C ATOM 2416 CE1 PHE B 139 19.094 -7.262 -30.879 1.00 43.03 C ANISOU 2416 CE1 PHE B 139 5888 6061 4399 -58 108 218 C ATOM 2417 CE2 PHE B 139 20.647 -9.130 -30.776 1.00 42.63 C ANISOU 2417 CE2 PHE B 139 5665 6149 4382 11 317 -72 C ATOM 2418 CZ PHE B 139 19.591 -8.460 -31.432 1.00 44.74 C ANISOU 2418 CZ PHE B 139 6015 6439 4545 -48 227 36 C ATOM 0 H PHE B 139 21.871 -6.405 -25.563 1.00 33.03 H new ATOM 0 HA PHE B 139 19.534 -6.706 -26.574 1.00 32.07 H new ATOM 0 HB2 PHE B 139 21.410 -5.954 -27.865 1.00 34.50 H new ATOM 0 HB3 PHE B 139 22.140 -7.314 -27.642 1.00 34.50 H new ATOM 0 HD1 PHE B 139 19.288 -6.005 -29.259 1.00 38.96 H new ATOM 0 HD2 PHE B 139 21.891 -9.064 -29.213 1.00 39.72 H new ATOM 0 HE1 PHE B 139 18.414 -6.795 -31.308 1.00 43.03 H new ATOM 0 HE2 PHE B 139 20.979 -9.925 -31.127 1.00 42.63 H new ATOM 0 HZ PHE B 139 19.229 -8.804 -32.217 1.00 44.74 H new ATOM 2419 N LEU B 140 20.965 -9.505 -26.108 1.00 29.94 N ANISOU 2419 N LEU B 140 4087 4051 3238 138 229 96 N ATOM 2420 CA LEU B 140 20.590 -10.925 -26.025 1.00 30.87 C ANISOU 2420 CA LEU B 140 4142 4105 3481 184 194 27 C ATOM 2421 C LEU B 140 19.298 -11.112 -25.237 1.00 30.47 C ANISOU 2421 C LEU B 140 4133 4007 3436 157 140 58 C ATOM 2422 O LEU B 140 18.473 -11.918 -25.620 1.00 30.29 O ANISOU 2422 O LEU B 140 4098 3951 3458 196 114 -5 O ATOM 2423 CB LEU B 140 21.719 -11.796 -25.412 1.00 31.14 C ANISOU 2423 CB LEU B 140 4067 4069 3695 180 149 50 C ATOM 2424 CG LEU B 140 22.956 -11.991 -26.295 1.00 34.53 C ANISOU 2424 CG LEU B 140 4387 4553 4180 221 207 -75 C ATOM 2425 CD1 LEU B 140 24.021 -12.676 -25.532 1.00 37.43 C ANISOU 2425 CD1 LEU B 140 4633 4806 4782 220 126 -39 C ATOM 2426 CD2 LEU B 140 22.624 -12.782 -27.557 1.00 36.40 C ANISOU 2426 CD2 LEU B 140 4537 4838 4452 284 246 -296 C ATOM 0 H LEU B 140 21.757 -9.291 -25.852 1.00 29.94 H new ATOM 0 HA LEU B 140 20.446 -11.225 -26.936 1.00 30.87 H new ATOM 0 HB2 LEU B 140 21.999 -11.393 -24.575 1.00 31.14 H new ATOM 0 HB3 LEU B 140 21.353 -12.668 -25.198 1.00 31.14 H new ATOM 0 HG LEU B 140 23.269 -11.114 -26.567 1.00 34.53 H new ATOM 0 HD11 LEU B 140 24.799 -12.795 -26.098 1.00 37.43 H new ATOM 0 HD12 LEU B 140 24.262 -12.140 -24.760 1.00 37.43 H new ATOM 0 HD13 LEU B 140 23.701 -13.543 -25.236 1.00 37.43 H new ATOM 0 HD21 LEU B 140 23.426 -12.888 -28.093 1.00 36.40 H new ATOM 0 HD22 LEU B 140 22.282 -13.656 -27.311 1.00 36.40 H new ATOM 0 HD23 LEU B 140 21.953 -12.306 -28.070 1.00 36.40 H new ATOM 2427 N LEU B 141 19.116 -10.394 -24.114 1.00 28.39 N ANISOU 2427 N LEU B 141 3894 3770 3122 73 131 124 N ATOM 2428 CA LEU B 141 17.847 -10.579 -23.368 1.00 28.31 C ANISOU 2428 CA LEU B 141 3883 3785 3086 9 102 99 C ATOM 2429 C LEU B 141 16.641 -9.955 -24.046 1.00 28.27 C ANISOU 2429 C LEU B 141 3918 3774 3049 71 119 -13 C ATOM 2430 O LEU B 141 15.507 -10.472 -23.928 1.00 25.49 O ANISOU 2430 O LEU B 141 3554 3430 2701 60 99 -71 O ATOM 2431 CB LEU B 141 17.958 -10.066 -21.923 1.00 27.49 C ANISOU 2431 CB LEU B 141 3744 3784 2914 -142 102 137 C ATOM 2432 CG LEU B 141 18.979 -10.822 -21.047 1.00 31.93 C ANISOU 2432 CG LEU B 141 4257 4364 3510 -257 33 303 C ATOM 2433 CD1 LEU B 141 18.859 -10.460 -19.584 1.00 31.53 C ANISOU 2433 CD1 LEU B 141 4156 4496 3326 -475 25 341 C ATOM 2434 CD2 LEU B 141 18.838 -12.319 -21.215 1.00 35.26 C ANISOU 2434 CD2 LEU B 141 4640 4687 4068 -255 -77 390 C ATOM 0 H LEU B 141 19.673 -9.829 -23.781 1.00 28.39 H new ATOM 0 HA LEU B 141 17.700 -11.538 -23.357 1.00 28.31 H new ATOM 0 HB2 LEU B 141 18.201 -9.127 -21.944 1.00 27.49 H new ATOM 0 HB3 LEU B 141 17.085 -10.124 -21.504 1.00 27.49 H new ATOM 0 HG LEU B 141 19.858 -10.548 -21.352 1.00 31.93 H new ATOM 0 HD11 LEU B 141 19.517 -10.956 -19.073 1.00 31.53 H new ATOM 0 HD12 LEU B 141 19.014 -9.509 -19.472 1.00 31.53 H new ATOM 0 HD13 LEU B 141 17.969 -10.682 -19.267 1.00 31.53 H new ATOM 0 HD21 LEU B 141 19.489 -12.770 -20.655 1.00 35.26 H new ATOM 0 HD22 LEU B 141 17.944 -12.591 -20.954 1.00 35.26 H new ATOM 0 HD23 LEU B 141 18.990 -12.556 -22.143 1.00 35.26 H new ATOM 2435 N LEU B 142 16.897 -8.826 -24.735 1.00 28.45 N ANISOU 2435 N LEU B 142 3977 3775 3058 116 129 -21 N ATOM 2436 CA LEU B 142 15.885 -8.197 -25.548 1.00 30.11 C ANISOU 2436 CA LEU B 142 4212 3939 3288 167 86 -77 C ATOM 2437 C LEU B 142 15.394 -9.160 -26.611 1.00 30.80 C ANISOU 2437 C LEU B 142 4322 4034 3345 223 81 -96 C ATOM 2438 O LEU B 142 14.152 -9.472 -26.701 1.00 28.37 O ANISOU 2438 O LEU B 142 4010 3703 3064 249 52 -172 O ATOM 2439 CB LEU B 142 16.517 -6.954 -26.229 1.00 31.19 C ANISOU 2439 CB LEU B 142 4377 4041 3430 162 43 4 C ATOM 2440 CG LEU B 142 15.527 -5.965 -26.825 1.00 35.94 C ANISOU 2440 CG LEU B 142 4980 4543 4131 179 -75 -4 C ATOM 2441 CD1 LEU B 142 14.596 -5.392 -25.735 1.00 34.53 C ANISOU 2441 CD1 LEU B 142 4714 4291 4114 188 -102 -178 C ATOM 2442 CD2 LEU B 142 16.310 -4.869 -27.569 1.00 38.99 C ANISOU 2442 CD2 LEU B 142 5393 4898 4523 123 -165 159 C ATOM 0 H LEU B 142 17.656 -8.422 -24.733 1.00 28.45 H new ATOM 0 HA LEU B 142 15.132 -7.938 -24.995 1.00 30.11 H new ATOM 0 HB2 LEU B 142 17.063 -6.489 -25.576 1.00 31.19 H new ATOM 0 HB3 LEU B 142 17.112 -7.257 -26.933 1.00 31.19 H new ATOM 0 HG LEU B 142 14.950 -6.414 -27.462 1.00 35.94 H new ATOM 0 HD11 LEU B 142 13.974 -4.765 -26.137 1.00 34.53 H new ATOM 0 HD12 LEU B 142 14.101 -6.115 -25.319 1.00 34.53 H new ATOM 0 HD13 LEU B 142 15.126 -4.935 -25.064 1.00 34.53 H new ATOM 0 HD21 LEU B 142 15.688 -4.232 -27.954 1.00 38.99 H new ATOM 0 HD22 LEU B 142 16.897 -4.412 -26.947 1.00 38.99 H new ATOM 0 HD23 LEU B 142 16.838 -5.272 -28.276 1.00 38.99 H new ATOM 2443 N LYS B 143 16.376 -9.634 -27.418 1.00 29.28 N ANISOU 2443 N LYS B 143 4128 3894 3102 234 117 -65 N ATOM 2444 CA LYS B 143 16.077 -10.609 -28.476 1.00 31.59 C ANISOU 2444 CA LYS B 143 4401 4231 3369 273 129 -145 C ATOM 2445 C LYS B 143 15.340 -11.826 -27.932 1.00 31.47 C ANISOU 2445 C LYS B 143 4352 4147 3457 307 110 -211 C ATOM 2446 O LYS B 143 14.271 -12.217 -28.448 1.00 31.51 O ANISOU 2446 O LYS B 143 4367 4146 3458 338 87 -278 O ATOM 2447 CB LYS B 143 17.361 -11.062 -29.158 1.00 32.27 C ANISOU 2447 CB LYS B 143 4423 4414 3423 263 191 -193 C ATOM 0 H LYS B 143 17.203 -9.403 -27.364 1.00 29.28 H new ATOM 0 HA LYS B 143 15.502 -10.166 -29.119 1.00 31.59 H new ATOM 2448 N THR B 144 15.862 -12.385 -26.825 1.00 31.32 N ANISOU 2448 N THR B 144 4289 4077 3531 274 95 -161 N ATOM 2449 CA THR B 144 15.270 -13.558 -26.258 1.00 30.82 C ANISOU 2449 CA THR B 144 4183 3947 3577 255 31 -159 C ATOM 2450 C THR B 144 13.827 -13.295 -25.786 1.00 28.94 C ANISOU 2450 C THR B 144 3980 3740 3275 211 18 -175 C ATOM 2451 O THR B 144 12.967 -14.139 -25.937 1.00 29.21 O ANISOU 2451 O THR B 144 3997 3743 3358 218 -21 -213 O ATOM 2452 CB THR B 144 16.148 -14.018 -25.093 1.00 32.57 C ANISOU 2452 CB THR B 144 4349 4127 3897 169 -30 -29 C ATOM 2453 OG1 THR B 144 17.472 -14.326 -25.581 1.00 29.86 O ANISOU 2453 OG1 THR B 144 3938 3736 3669 227 -26 -59 O ATOM 2454 CG2 THR B 144 15.526 -15.194 -24.440 1.00 33.91 C ANISOU 2454 CG2 THR B 144 4469 4231 4184 92 -148 43 C ATOM 0 H THR B 144 16.552 -12.088 -26.407 1.00 31.32 H new ATOM 0 HA THR B 144 15.218 -14.252 -26.934 1.00 30.82 H new ATOM 0 HB THR B 144 16.225 -13.311 -24.433 1.00 32.57 H new ATOM 0 HG1 THR B 144 17.952 -13.638 -25.542 1.00 29.86 H new ATOM 0 HG21 THR B 144 16.082 -15.486 -23.701 1.00 33.91 H new ATOM 0 HG22 THR B 144 14.648 -14.952 -24.107 1.00 33.91 H new ATOM 0 HG23 THR B 144 15.440 -15.914 -25.084 1.00 33.91 H new ATOM 2455 N ALA B 145 13.564 -12.142 -25.153 1.00 28.25 N ANISOU 2455 N ALA B 145 3912 3714 3108 159 46 -178 N ATOM 2456 CA ALA B 145 12.211 -11.867 -24.644 1.00 26.97 C ANISOU 2456 CA ALA B 145 3727 3603 2917 110 43 -269 C ATOM 2457 C ALA B 145 11.229 -11.772 -25.809 1.00 26.75 C ANISOU 2457 C ALA B 145 3730 3520 2911 218 25 -359 C ATOM 2458 O ALA B 145 10.118 -12.206 -25.767 1.00 26.89 O ANISOU 2458 O ALA B 145 3724 3549 2940 210 7 -430 O ATOM 2459 CB ALA B 145 12.198 -10.513 -23.832 1.00 28.03 C ANISOU 2459 CB ALA B 145 3821 3801 3025 50 76 -345 C ATOM 0 H ALA B 145 14.140 -11.520 -25.011 1.00 28.25 H new ATOM 0 HA ALA B 145 11.946 -12.592 -24.056 1.00 26.97 H new ATOM 0 HB1 ALA B 145 11.302 -10.342 -23.502 1.00 28.03 H new ATOM 0 HB2 ALA B 145 12.811 -10.579 -23.083 1.00 28.03 H new ATOM 0 HB3 ALA B 145 12.473 -9.785 -24.412 1.00 28.03 H new ATOM 2460 N PHE B 146 11.628 -11.083 -26.847 1.00 27.41 N ANISOU 2460 N PHE B 146 3859 3567 2986 291 15 -339 N ATOM 2461 CA PHE B 146 10.724 -11.036 -28.017 1.00 28.65 C ANISOU 2461 CA PHE B 146 4042 3699 3142 352 -32 -382 C ATOM 2462 C PHE B 146 10.568 -12.389 -28.731 1.00 29.11 C ANISOU 2462 C PHE B 146 4099 3776 3183 385 -19 -419 C ATOM 2463 O PHE B 146 9.391 -12.776 -29.120 1.00 28.04 O ANISOU 2463 O PHE B 146 3960 3628 3063 412 -53 -489 O ATOM 2464 CB PHE B 146 11.027 -9.849 -28.907 1.00 28.99 C ANISOU 2464 CB PHE B 146 4120 3725 3168 356 -94 -305 C ATOM 2465 CG PHE B 146 10.715 -8.540 -28.243 1.00 27.09 C ANISOU 2465 CG PHE B 146 3840 3395 3055 346 -159 -326 C ATOM 2466 CD1 PHE B 146 9.426 -8.235 -27.882 1.00 26.84 C ANISOU 2466 CD1 PHE B 146 3741 3298 3157 372 -214 -463 C ATOM 2467 CD2 PHE B 146 11.724 -7.643 -27.943 1.00 29.97 C ANISOU 2467 CD2 PHE B 146 4206 3739 3439 312 -165 -250 C ATOM 2468 CE1 PHE B 146 9.106 -6.992 -27.229 1.00 26.03 C ANISOU 2468 CE1 PHE B 146 3540 3096 3251 372 -283 -572 C ATOM 2469 CE2 PHE B 146 11.432 -6.445 -27.366 1.00 28.57 C ANISOU 2469 CE2 PHE B 146 3960 3455 3438 310 -242 -314 C ATOM 2470 CZ PHE B 146 10.125 -6.112 -27.009 1.00 30.29 C ANISOU 2470 CZ PHE B 146 4081 3594 3832 345 -303 -495 C ATOM 0 H PHE B 146 12.369 -10.652 -26.917 1.00 27.41 H new ATOM 0 HA PHE B 146 9.826 -10.874 -27.687 1.00 28.65 H new ATOM 0 HB2 PHE B 146 11.964 -9.866 -29.157 1.00 28.99 H new ATOM 0 HB3 PHE B 146 10.513 -9.923 -29.727 1.00 28.99 H new ATOM 0 HD1 PHE B 146 8.746 -8.843 -28.063 1.00 26.84 H new ATOM 0 HD2 PHE B 146 12.607 -7.860 -28.137 1.00 29.97 H new ATOM 0 HE1 PHE B 146 8.236 -6.796 -26.967 1.00 26.03 H new ATOM 0 HE2 PHE B 146 12.117 -5.837 -27.207 1.00 28.57 H new ATOM 0 HZ PHE B 146 9.948 -5.286 -26.619 1.00 30.29 H new ATOM 2471 N GLU B 147 11.638 -13.176 -28.800 1.00 28.47 N ANISOU 2471 N GLU B 147 3992 3707 3117 387 16 -406 N ATOM 2472 CA GLU B 147 11.467 -14.524 -29.393 1.00 30.77 C ANISOU 2472 CA GLU B 147 4233 3981 3477 426 9 -503 C ATOM 2473 C GLU B 147 10.606 -15.426 -28.542 1.00 30.15 C ANISOU 2473 C GLU B 147 4126 3824 3505 400 -45 -495 C ATOM 2474 O GLU B 147 10.064 -16.385 -29.065 1.00 31.85 O ANISOU 2474 O GLU B 147 4305 4000 3794 435 -76 -580 O ATOM 2475 CB GLU B 147 12.779 -15.278 -29.559 1.00 31.73 C ANISOU 2475 CB GLU B 147 4271 4087 3696 443 30 -549 C ATOM 2476 CG GLU B 147 13.687 -14.678 -30.571 1.00 34.67 C ANISOU 2476 CG GLU B 147 4632 4599 3941 435 101 -601 C ATOM 2477 CD GLU B 147 15.082 -15.388 -30.646 1.00 37.19 C ANISOU 2477 CD GLU B 147 4821 4915 4395 454 133 -710 C ATOM 2478 OE1 GLU B 147 15.527 -16.224 -29.769 1.00 39.77 O ANISOU 2478 OE1 GLU B 147 5072 5077 4961 478 66 -689 O ATOM 2479 OE2 GLU B 147 15.720 -15.085 -31.636 1.00 29.87 O ANISOU 2479 OE2 GLU B 147 3847 4163 3337 421 209 -815 O ATOM 0 H GLU B 147 12.430 -12.976 -28.531 1.00 28.47 H new ATOM 0 HA GLU B 147 11.058 -14.339 -30.253 1.00 30.77 H new ATOM 0 HB2 GLU B 147 13.236 -15.309 -28.704 1.00 31.73 H new ATOM 0 HB3 GLU B 147 12.587 -16.195 -29.811 1.00 31.73 H new ATOM 0 HG2 GLU B 147 13.263 -14.719 -31.442 1.00 34.67 H new ATOM 0 HG3 GLU B 147 13.819 -13.740 -30.363 1.00 34.67 H new ATOM 2480 N LEU B 148 10.588 -15.207 -27.226 1.00 31.47 N ANISOU 2480 N LEU B 148 4008 3845 4104 73 -221 -616 N ATOM 2481 CA LEU B 148 9.658 -15.960 -26.322 1.00 30.59 C ANISOU 2481 CA LEU B 148 3881 3677 4064 103 -323 -552 C ATOM 2482 C LEU B 148 8.226 -15.443 -26.301 1.00 29.56 C ANISOU 2482 C LEU B 148 3824 3583 3823 112 -347 -474 C ATOM 2483 O LEU B 148 7.378 -15.971 -25.547 1.00 30.52 O ANISOU 2483 O LEU B 148 3936 3660 3999 121 -403 -429 O ATOM 2484 CB LEU B 148 10.179 -15.960 -24.890 1.00 30.74 C ANISOU 2484 CB LEU B 148 3885 3617 4177 104 -382 -475 C ATOM 2485 CG LEU B 148 11.382 -16.868 -24.613 1.00 29.13 C ANISOU 2485 CG LEU B 148 3583 3326 4158 111 -427 -550 C ATOM 2486 CD1 LEU B 148 11.976 -16.484 -23.283 1.00 28.08 C ANISOU 2486 CD1 LEU B 148 3471 3125 4070 108 -496 -463 C ATOM 2487 CD2 LEU B 148 10.964 -18.314 -24.638 1.00 30.69 C ANISOU 2487 CD2 LEU B 148 3723 3458 4479 126 -501 -592 C ATOM 0 H LEU B 148 11.093 -14.638 -26.825 1.00 31.47 H new ATOM 0 HA LEU B 148 9.635 -16.855 -26.695 1.00 30.59 H new ATOM 0 HB2 LEU B 148 10.421 -15.051 -24.653 1.00 30.74 H new ATOM 0 HB3 LEU B 148 9.455 -16.224 -24.301 1.00 30.74 H new ATOM 0 HG LEU B 148 12.054 -16.754 -25.303 1.00 29.13 H new ATOM 0 HD11 LEU B 148 12.740 -17.051 -23.094 1.00 28.08 H new ATOM 0 HD12 LEU B 148 12.261 -15.557 -23.311 1.00 28.08 H new ATOM 0 HD13 LEU B 148 11.310 -16.596 -22.587 1.00 28.08 H new ATOM 0 HD21 LEU B 148 11.734 -18.877 -24.461 1.00 30.69 H new ATOM 0 HD22 LEU B 148 10.289 -18.468 -23.958 1.00 30.69 H new ATOM 0 HD23 LEU B 148 10.599 -18.531 -25.510 1.00 30.69 H new ATOM 2488 N GLY B 149 8.011 -14.379 -27.064 1.00 30.60 N ANISOU 2488 N GLY B 149 4031 3782 3812 104 -305 -459 N ATOM 2489 CA GLY B 149 6.694 -13.819 -27.414 1.00 30.29 C ANISOU 2489 CA GLY B 149 4055 3773 3680 119 -345 -417 C ATOM 2490 C GLY B 149 6.173 -12.796 -26.402 1.00 29.37 C ANISOU 2490 C GLY B 149 3971 3639 3549 122 -360 -314 C ATOM 2491 O GLY B 149 4.959 -12.638 -26.289 1.00 29.30 O ANISOU 2491 O GLY B 149 3968 3621 3543 138 -407 -296 O ATOM 0 H GLY B 149 8.659 -13.935 -27.414 1.00 30.60 H new ATOM 0 HA2 GLY B 149 6.751 -13.399 -28.286 1.00 30.29 H new ATOM 0 HA3 GLY B 149 6.053 -14.543 -27.489 1.00 30.29 H new ATOM 2492 N TYR B 150 7.062 -12.161 -25.626 1.00 26.89 N ANISOU 2492 N TYR B 150 3662 3311 3241 104 -322 -265 N ATOM 2493 CA TYR B 150 6.654 -11.048 -24.752 1.00 27.18 C ANISOU 2493 CA TYR B 150 3731 3339 3253 99 -324 -183 C ATOM 2494 C TYR B 150 6.117 -9.972 -25.697 1.00 26.61 C ANISOU 2494 C TYR B 150 3726 3302 3081 108 -333 -166 C ATOM 2495 O TYR B 150 6.637 -9.822 -26.867 1.00 26.67 O ANISOU 2495 O TYR B 150 3783 3345 3003 96 -308 -195 O ATOM 2496 CB TYR B 150 7.827 -10.598 -23.809 1.00 27.09 C ANISOU 2496 CB TYR B 150 3714 3307 3270 79 -292 -148 C ATOM 2497 CG TYR B 150 7.949 -11.580 -22.697 1.00 23.11 C ANISOU 2497 CG TYR B 150 3175 2748 2855 70 -331 -138 C ATOM 2498 CD1 TYR B 150 7.294 -11.365 -21.483 1.00 24.25 C ANISOU 2498 CD1 TYR B 150 3345 2869 3000 47 -345 -81 C ATOM 2499 CD2 TYR B 150 8.554 -12.801 -22.900 1.00 26.86 C ANISOU 2499 CD2 TYR B 150 3599 3189 3415 75 -358 -192 C ATOM 2500 CE1 TYR B 150 7.276 -12.302 -20.537 1.00 28.24 C ANISOU 2500 CE1 TYR B 150 3852 3319 3557 22 -384 -59 C ATOM 2501 CE2 TYR B 150 8.584 -13.777 -21.900 1.00 29.81 C ANISOU 2501 CE2 TYR B 150 3959 3492 3873 63 -420 -168 C ATOM 2502 CZ TYR B 150 7.925 -13.506 -20.735 1.00 27.08 C ANISOU 2502 CZ TYR B 150 3667 3127 3494 32 -432 -92 C ATOM 2503 OH TYR B 150 7.891 -14.387 -19.735 1.00 28.23 O ANISOU 2503 OH TYR B 150 3837 3201 3688 1 -490 -51 O ATOM 0 H TYR B 150 7.899 -12.356 -25.590 1.00 26.89 H new ATOM 0 HA TYR B 150 5.959 -11.290 -24.120 1.00 27.18 H new ATOM 0 HB2 TYR B 150 8.658 -10.548 -24.307 1.00 27.09 H new ATOM 0 HB3 TYR B 150 7.654 -9.711 -23.457 1.00 27.09 H new ATOM 0 HD1 TYR B 150 6.863 -10.555 -21.333 1.00 24.25 H new ATOM 0 HD2 TYR B 150 8.952 -12.980 -23.721 1.00 26.86 H new ATOM 0 HE1 TYR B 150 6.824 -12.145 -19.739 1.00 28.24 H new ATOM 0 HE2 TYR B 150 9.036 -14.581 -22.023 1.00 29.81 H new ATOM 0 HH TYR B 150 8.014 -15.161 -20.038 1.00 28.23 H new ATOM 2504 N ARG B 151 5.092 -9.281 -25.198 1.00 25.86 N ANISOU 2504 N ARG B 151 3635 3187 3000 120 -369 -129 N ATOM 2505 CA ARG B 151 4.413 -8.111 -25.852 1.00 27.38 C ANISOU 2505 CA ARG B 151 3885 3381 3135 137 -417 -99 C ATOM 2506 C ARG B 151 5.022 -6.725 -25.494 1.00 26.12 C ANISOU 2506 C ARG B 151 3766 3215 2943 120 -382 -35 C ATOM 2507 O ARG B 151 5.017 -5.747 -26.275 1.00 26.78 O ANISOU 2507 O ARG B 151 3925 3295 2953 119 -408 2 O ATOM 2508 CB ARG B 151 2.946 -8.127 -25.407 1.00 26.54 C ANISOU 2508 CB ARG B 151 3727 3237 3119 161 -478 -122 C ATOM 2509 CG ARG B 151 2.177 -9.381 -25.858 1.00 29.92 C ANISOU 2509 CG ARG B 151 4111 3660 3596 180 -522 -193 C ATOM 2510 CD ARG B 151 0.719 -9.216 -25.599 1.00 29.46 C ANISOU 2510 CD ARG B 151 3995 3555 3643 202 -581 -234 C ATOM 2511 NE ARG B 151 0.132 -8.314 -26.600 1.00 31.64 N ANISOU 2511 NE ARG B 151 4319 3814 3888 241 -692 -230 N ATOM 2512 CZ ARG B 151 -0.643 -7.270 -26.339 1.00 32.31 C ANISOU 2512 CZ ARG B 151 4381 3848 4047 260 -748 -229 C ATOM 2513 NH1 ARG B 151 -0.902 -6.871 -25.082 1.00 34.03 N ANISOU 2513 NH1 ARG B 151 4525 4040 4363 235 -675 -240 N ATOM 2514 NH2 ARG B 151 -1.090 -6.528 -27.339 1.00 31.31 N ANISOU 2514 NH2 ARG B 151 4315 3689 3890 297 -881 -215 N ATOM 0 H ARG B 151 4.745 -9.476 -24.436 1.00 25.86 H new ATOM 0 HA ARG B 151 4.527 -8.213 -26.810 1.00 27.38 H new ATOM 0 HB2 ARG B 151 2.909 -8.065 -24.440 1.00 26.54 H new ATOM 0 HB3 ARG B 151 2.501 -7.340 -25.759 1.00 26.54 H new ATOM 0 HG2 ARG B 151 2.328 -9.538 -26.803 1.00 29.92 H new ATOM 0 HG3 ARG B 151 2.510 -10.160 -25.385 1.00 29.92 H new ATOM 0 HD2 ARG B 151 0.277 -10.079 -25.631 1.00 29.46 H new ATOM 0 HD3 ARG B 151 0.579 -8.858 -24.708 1.00 29.46 H new ATOM 0 HE ARG B 151 0.306 -8.477 -27.426 1.00 31.64 H new ATOM 0 HH11 ARG B 151 -0.561 -7.297 -24.417 1.00 34.03 H new ATOM 0 HH12 ARG B 151 -1.408 -6.190 -24.943 1.00 34.03 H new ATOM 0 HH21 ARG B 151 -0.877 -6.725 -28.149 1.00 31.31 H new ATOM 0 HH22 ARG B 151 -1.593 -5.849 -27.179 1.00 31.31 H new ATOM 2515 N ARG B 152 5.624 -6.687 -24.310 1.00 25.16 N ANISOU 2515 N ARG B 152 3602 3084 2871 101 -327 -21 N ATOM 2516 CA ARG B 152 6.134 -5.453 -23.702 1.00 24.89 C ANISOU 2516 CA ARG B 152 3582 3038 2836 86 -294 24 C ATOM 2517 C ARG B 152 7.382 -5.766 -22.923 1.00 25.46 C ANISOU 2517 C ARG B 152 3628 3113 2932 63 -239 22 C ATOM 2518 O ARG B 152 7.368 -6.671 -22.094 1.00 26.01 O ANISOU 2518 O ARG B 152 3661 3170 3048 56 -248 6 O ATOM 2519 CB ARG B 152 5.093 -4.890 -22.747 1.00 23.83 C ANISOU 2519 CB ARG B 152 3409 2874 2769 91 -316 25 C ATOM 2520 CG ARG B 152 5.643 -3.697 -21.858 1.00 23.73 C ANISOU 2520 CG ARG B 152 3394 2848 2773 72 -276 55 C ATOM 2521 CD ARG B 152 4.597 -3.195 -20.878 1.00 23.94 C ANISOU 2521 CD ARG B 152 3371 2848 2874 64 -277 26 C ATOM 2522 NE ARG B 152 5.193 -2.169 -20.030 1.00 26.60 N ANISOU 2522 NE ARG B 152 3705 3179 3223 43 -237 40 N ATOM 2523 CZ ARG B 152 5.233 -0.878 -20.386 1.00 25.66 C ANISOU 2523 CZ ARG B 152 3592 3031 3124 58 -254 63 C ATOM 2524 NH1 ARG B 152 4.776 -0.477 -21.581 1.00 23.73 N ANISOU 2524 NH1 ARG B 152 3382 2761 2874 90 -322 88 N ATOM 2525 NH2 ARG B 152 5.823 -0.029 -19.617 1.00 23.98 N ANISOU 2525 NH2 ARG B 152 3367 2811 2930 39 -216 66 N ATOM 0 H ARG B 152 5.752 -7.387 -23.826 1.00 25.16 H new ATOM 0 HA ARG B 152 6.327 -4.806 -24.399 1.00 24.89 H new ATOM 0 HB2 ARG B 152 4.328 -4.580 -23.257 1.00 23.83 H new ATOM 0 HB3 ARG B 152 4.778 -5.600 -22.166 1.00 23.83 H new ATOM 0 HG2 ARG B 152 6.428 -3.992 -21.370 1.00 23.73 H new ATOM 0 HG3 ARG B 152 5.924 -2.968 -22.433 1.00 23.73 H new ATOM 0 HD2 ARG B 152 3.836 -2.832 -21.357 1.00 23.94 H new ATOM 0 HD3 ARG B 152 4.267 -3.928 -20.335 1.00 23.94 H new ATOM 0 HE ARG B 152 5.531 -2.401 -19.274 1.00 26.60 H new ATOM 0 HH11 ARG B 152 4.451 -1.052 -22.132 1.00 23.73 H new ATOM 0 HH12 ARG B 152 4.808 0.355 -21.796 1.00 23.73 H new ATOM 0 HH21 ARG B 152 6.186 -0.293 -18.884 1.00 23.98 H new ATOM 0 HH22 ARG B 152 5.854 0.802 -19.837 1.00 23.98 H new ATOM 2526 N CYS B 153 8.451 -5.054 -23.226 1.00 25.82 N ANISOU 2526 N CYS B 153 3696 3162 2950 46 -192 35 N ATOM 2527 CA CYS B 153 9.641 -5.082 -22.431 1.00 25.82 C ANISOU 2527 CA CYS B 153 3660 3149 3000 30 -157 24 C ATOM 2528 C CYS B 153 9.911 -3.674 -21.960 1.00 25.71 C ANISOU 2528 C CYS B 153 3657 3121 2989 20 -133 61 C ATOM 2529 O CYS B 153 9.982 -2.720 -22.787 1.00 26.00 O ANISOU 2529 O CYS B 153 3740 3157 2981 10 -105 87 O ATOM 2530 CB CYS B 153 10.788 -5.620 -23.267 1.00 26.52 C ANISOU 2530 CB CYS B 153 3734 3246 3094 15 -107 -28 C ATOM 2531 SG CYS B 153 12.350 -5.884 -22.316 1.00 31.07 S ANISOU 2531 SG CYS B 153 4233 3780 3790 6 -96 -74 S ATOM 0 H CYS B 153 8.499 -4.536 -23.911 1.00 25.82 H new ATOM 0 HA CYS B 153 9.541 -5.663 -21.660 1.00 25.82 H new ATOM 0 HB2 CYS B 153 10.518 -6.461 -23.667 1.00 26.52 H new ATOM 0 HB3 CYS B 153 10.963 -5.003 -23.995 1.00 26.52 H new ATOM 0 HG CYS B 153 13.199 -6.310 -23.050 1.00 31.07 H new ATOM 2532 N GLU B 154 10.086 -3.534 -20.650 1.00 24.05 N ANISOU 2532 N GLU B 154 3418 2893 2825 14 -147 63 N ATOM 2533 CA GLU B 154 10.305 -2.261 -20.013 1.00 23.70 C ANISOU 2533 CA GLU B 154 3371 2834 2798 5 -129 81 C ATOM 2534 C GLU B 154 11.744 -2.114 -19.677 1.00 22.81 C ANISOU 2534 C GLU B 154 3229 2704 2734 -6 -106 58 C ATOM 2535 O GLU B 154 12.450 -3.099 -19.451 1.00 22.76 O ANISOU 2535 O GLU B 154 3194 2685 2766 -4 -130 24 O ATOM 2536 CB GLU B 154 9.528 -2.244 -18.703 1.00 24.91 C ANISOU 2536 CB GLU B 154 3517 2984 2964 -5 -156 79 C ATOM 2537 CG GLU B 154 8.789 -1.078 -18.406 1.00 32.03 C ANISOU 2537 CG GLU B 154 4412 3877 3881 -7 -146 82 C ATOM 2538 CD GLU B 154 7.909 -1.263 -17.171 1.00 30.56 C ANISOU 2538 CD GLU B 154 4217 3694 3699 -38 -144 52 C ATOM 2539 OE1 GLU B 154 6.708 -1.239 -17.334 1.00 28.82 O ANISOU 2539 OE1 GLU B 154 3979 3469 3500 -35 -144 31 O ATOM 2540 OE2 GLU B 154 8.430 -1.467 -16.071 1.00 31.44 O ANISOU 2540 OE2 GLU B 154 4344 3808 3793 -71 -144 44 O ATOM 0 H GLU B 154 10.079 -4.197 -20.102 1.00 24.05 H new ATOM 0 HA GLU B 154 10.022 -1.548 -20.607 1.00 23.70 H new ATOM 0 HB2 GLU B 154 8.915 -2.996 -18.707 1.00 24.91 H new ATOM 0 HB3 GLU B 154 10.156 -2.394 -17.979 1.00 24.91 H new ATOM 0 HG2 GLU B 154 9.398 -0.337 -18.261 1.00 32.03 H new ATOM 0 HG3 GLU B 154 8.234 -0.844 -19.166 1.00 32.03 H new ATOM 2541 N TRP B 155 12.160 -0.855 -19.588 1.00 22.99 N ANISOU 2541 N TRP B 155 3247 2710 2776 -15 -70 68 N ATOM 2542 CA TRP B 155 13.475 -0.470 -19.112 1.00 22.94 C ANISOU 2542 CA TRP B 155 3197 2675 2840 -26 -50 33 C ATOM 2543 C TRP B 155 13.256 0.743 -18.209 1.00 23.28 C ANISOU 2543 C TRP B 155 3235 2705 2903 -30 -56 46 C ATOM 2544 O TRP B 155 12.594 1.709 -18.630 1.00 23.59 O ANISOU 2544 O TRP B 155 3297 2739 2927 -31 -32 80 O ATOM 2545 CB TRP B 155 14.377 -0.133 -20.303 1.00 24.95 C ANISOU 2545 CB TRP B 155 3449 2921 3111 -48 36 13 C ATOM 2546 CG TRP B 155 15.764 0.364 -19.967 1.00 25.93 C ANISOU 2546 CG TRP B 155 3507 3004 3339 -64 76 -42 C ATOM 2547 CD1 TRP B 155 16.063 1.575 -19.464 1.00 27.73 C ANISOU 2547 CD1 TRP B 155 3720 3205 3611 -73 94 -35 C ATOM 2548 CD2 TRP B 155 17.002 -0.349 -20.046 1.00 36.08 C ANISOU 2548 CD2 TRP B 155 4718 4262 4727 -70 93 -130 C ATOM 2549 NE1 TRP B 155 17.405 1.700 -19.279 1.00 28.96 N ANISOU 2549 NE1 TRP B 155 3799 3320 3883 -85 127 -110 N ATOM 2550 CE2 TRP B 155 18.017 0.545 -19.648 1.00 34.93 C ANISOU 2550 CE2 TRP B 155 4513 4071 4686 -84 127 -175 C ATOM 2551 CE3 TRP B 155 17.356 -1.657 -20.404 1.00 41.91 C ANISOU 2551 CE3 TRP B 155 5418 4998 5506 -63 76 -190 C ATOM 2552 CZ2 TRP B 155 19.357 0.174 -19.561 1.00 41.29 C ANISOU 2552 CZ2 TRP B 155 5216 4827 5644 -89 139 -283 C ATOM 2553 CZ3 TRP B 155 18.706 -2.026 -20.361 1.00 42.24 C ANISOU 2553 CZ3 TRP B 155 5356 4987 5703 -68 90 -300 C ATOM 2554 CH2 TRP B 155 19.688 -1.117 -19.938 1.00 44.37 C ANISOU 2554 CH2 TRP B 155 5563 5210 6085 -80 119 -349 C ATOM 0 H TRP B 155 11.668 -0.185 -19.810 1.00 22.99 H new ATOM 0 HA TRP B 155 13.914 -1.183 -18.622 1.00 22.94 H new ATOM 0 HB2 TRP B 155 14.462 -0.926 -20.855 1.00 24.95 H new ATOM 0 HB3 TRP B 155 13.933 0.541 -20.841 1.00 24.95 H new ATOM 0 HD1 TRP B 155 15.438 2.236 -19.269 1.00 27.73 H new ATOM 0 HE1 TRP B 155 17.803 2.400 -18.976 1.00 28.96 H new ATOM 0 HE3 TRP B 155 16.706 -2.269 -20.665 1.00 41.91 H new ATOM 0 HZ2 TRP B 155 20.005 0.770 -19.261 1.00 41.29 H new ATOM 0 HZ3 TRP B 155 18.955 -2.885 -20.616 1.00 42.24 H new ATOM 0 HH2 TRP B 155 20.578 -1.387 -19.910 1.00 44.37 H new ATOM 2555 N ARG B 156 13.779 0.693 -16.983 1.00 22.60 N ANISOU 2555 N ARG B 156 3124 2605 2855 -34 -100 15 N ATOM 2556 CA ARG B 156 13.556 1.767 -16.003 1.00 24.07 C ANISOU 2556 CA ARG B 156 3304 2785 3055 -44 -105 7 C ATOM 2557 C ARG B 156 14.848 2.282 -15.525 1.00 24.71 C ANISOU 2557 C ARG B 156 3338 2831 3217 -46 -111 -36 C ATOM 2558 O ARG B 156 15.821 1.529 -15.427 1.00 25.17 O ANISOU 2558 O ARG B 156 3371 2868 3324 -39 -152 -70 O ATOM 2559 CB ARG B 156 12.798 1.311 -14.803 1.00 22.88 C ANISOU 2559 CB ARG B 156 3188 2655 2847 -64 -153 1 C ATOM 2560 CG ARG B 156 11.440 0.819 -15.069 1.00 25.56 C ANISOU 2560 CG ARG B 156 3557 3022 3130 -69 -141 22 C ATOM 2561 CD ARG B 156 10.692 0.394 -13.694 1.00 27.15 C ANISOU 2561 CD ARG B 156 3803 3242 3268 -118 -158 2 C ATOM 2562 NE ARG B 156 9.301 0.133 -14.005 1.00 30.55 N ANISOU 2562 NE ARG B 156 4235 3690 3683 -126 -124 0 N ATOM 2563 CZ ARG B 156 8.247 0.358 -13.225 1.00 30.52 C ANISOU 2563 CZ ARG B 156 4235 3698 3663 -172 -82 -44 C ATOM 2564 NH1 ARG B 156 7.053 0.078 -13.682 1.00 34.26 N ANISOU 2564 NH1 ARG B 156 4685 4173 4159 -171 -56 -61 N ATOM 2565 NH2 ARG B 156 8.374 0.775 -12.019 1.00 31.54 N ANISOU 2565 NH2 ARG B 156 4389 3836 3756 -225 -65 -83 N ATOM 0 H ARG B 156 14.267 0.046 -16.696 1.00 22.60 H new ATOM 0 HA ARG B 156 13.039 2.447 -16.463 1.00 24.07 H new ATOM 0 HB2 ARG B 156 13.303 0.606 -14.369 1.00 22.88 H new ATOM 0 HB3 ARG B 156 12.742 2.048 -14.175 1.00 22.88 H new ATOM 0 HG2 ARG B 156 10.926 1.507 -15.521 1.00 25.56 H new ATOM 0 HG3 ARG B 156 11.481 0.057 -15.667 1.00 25.56 H new ATOM 0 HD2 ARG B 156 11.108 -0.394 -13.311 1.00 27.15 H new ATOM 0 HD3 ARG B 156 10.765 1.102 -13.035 1.00 27.15 H new ATOM 0 HE ARG B 156 9.139 -0.205 -14.779 1.00 30.55 H new ATOM 0 HH11 ARG B 156 6.960 -0.245 -14.473 1.00 34.26 H new ATOM 0 HH12 ARG B 156 6.361 0.217 -13.191 1.00 34.26 H new ATOM 0 HH21 ARG B 156 9.157 0.917 -11.693 1.00 31.54 H new ATOM 0 HH22 ARG B 156 7.676 0.913 -11.536 1.00 31.54 H new ATOM 2566 N CYS B 157 14.876 3.544 -15.112 1.00 25.80 N ANISOU 2566 N CYS B 157 3454 2954 3394 -54 -87 -51 N ATOM 2567 CA CYS B 157 16.119 4.045 -14.496 1.00 26.15 C ANISOU 2567 CA CYS B 157 3444 2960 3530 -55 -106 -108 C ATOM 2568 C CYS B 157 15.838 5.218 -13.581 1.00 24.82 C ANISOU 2568 C CYS B 157 3262 2787 3379 -67 -107 -135 C ATOM 2569 O CYS B 157 14.765 5.814 -13.663 1.00 22.08 O ANISOU 2569 O CYS B 157 2930 2455 3004 -73 -72 -114 O ATOM 2570 CB CYS B 157 17.188 4.416 -15.578 1.00 26.76 C ANISOU 2570 CB CYS B 157 3467 2996 3703 -58 -28 -127 C ATOM 2571 SG CYS B 157 16.788 5.808 -16.596 1.00 29.39 S ANISOU 2571 SG CYS B 157 3815 3307 4044 -78 78 -75 S ATOM 0 H CYS B 157 14.228 4.107 -15.170 1.00 25.80 H new ATOM 0 HA CYS B 157 16.488 3.327 -13.958 1.00 26.15 H new ATOM 0 HB2 CYS B 157 18.030 4.593 -15.131 1.00 26.76 H new ATOM 0 HB3 CYS B 157 17.327 3.645 -16.150 1.00 26.76 H new ATOM 0 HG CYS B 157 17.675 5.998 -17.381 1.00 29.39 H new ATOM 2572 N ASP B 158 16.778 5.482 -12.684 1.00 24.47 N ANISOU 2572 N ASP B 158 3183 2717 3395 -68 -158 -197 N ATOM 2573 CA ASP B 158 16.683 6.672 -11.831 1.00 26.89 C ANISOU 2573 CA ASP B 158 3464 3016 3735 -81 -154 -244 C ATOM 2574 C ASP B 158 16.799 7.831 -12.789 1.00 26.17 C ANISOU 2574 C ASP B 158 3318 2884 3742 -76 -61 -230 C ATOM 2575 O ASP B 158 17.695 7.786 -13.597 1.00 26.26 O ANISOU 2575 O ASP B 158 3294 2857 3823 -73 -21 -227 O ATOM 2576 CB ASP B 158 17.867 6.662 -10.867 1.00 26.09 C ANISOU 2576 CB ASP B 158 3334 2884 3693 -78 -244 -318 C ATOM 2577 CG ASP B 158 17.789 7.717 -9.849 1.00 28.10 C ANISOU 2577 CG ASP B 158 3572 3139 3963 -96 -255 -382 C ATOM 2578 OD1 ASP B 158 17.653 8.866 -10.235 1.00 27.97 O ANISOU 2578 OD1 ASP B 158 3495 3099 4030 -95 -176 -394 O ATOM 2579 OD2 ASP B 158 17.933 7.385 -8.650 1.00 32.07 O ANISOU 2579 OD2 ASP B 158 4130 3658 4395 -116 -354 -422 O ATOM 0 H ASP B 158 17.474 4.995 -12.550 1.00 24.47 H new ATOM 0 HA ASP B 158 15.866 6.716 -11.310 1.00 26.89 H new ATOM 0 HB2 ASP B 158 17.912 5.798 -10.427 1.00 26.09 H new ATOM 0 HB3 ASP B 158 18.689 6.767 -11.371 1.00 26.09 H new ATOM 2580 N SER B 159 15.977 8.868 -12.663 1.00 22.94 N ANISOU 2580 N SER B 159 2887 2437 3391 -286 116 42 N ATOM 2581 CA SER B 159 16.096 10.065 -13.527 1.00 25.70 C ANISOU 2581 CA SER B 159 3272 2715 3778 -301 151 92 C ATOM 2582 C SER B 159 17.491 10.722 -13.492 1.00 28.45 C ANISOU 2582 C SER B 159 3578 3055 4175 -419 157 132 C ATOM 2583 O SER B 159 17.817 11.485 -14.435 1.00 28.34 O ANISOU 2583 O SER B 159 3599 2998 4168 -464 201 194 O ATOM 2584 CB SER B 159 15.063 11.133 -13.222 1.00 25.94 C ANISOU 2584 CB SER B 159 3394 2640 3822 -271 136 44 C ATOM 2585 OG SER B 159 15.191 11.673 -11.917 1.00 26.29 O ANISOU 2585 OG SER B 159 3467 2637 3884 -340 107 -28 O ATOM 0 H SER B 159 15.340 8.908 -12.086 1.00 22.94 H new ATOM 0 HA SER B 159 15.938 9.710 -14.416 1.00 25.70 H new ATOM 0 HB2 SER B 159 15.144 11.849 -13.872 1.00 25.94 H new ATOM 0 HB3 SER B 159 14.175 10.756 -13.325 1.00 25.94 H new ATOM 0 HG SER B 159 15.431 11.068 -11.386 1.00 26.29 H new ATOM 2586 N ARG B 160 18.284 10.485 -12.426 1.00 29.81 N ANISOU 2586 N ARG B 160 3685 3269 4369 -488 106 101 N ATOM 2587 CA ARG B 160 19.689 11.036 -12.348 1.00 31.43 C ANISOU 2587 CA ARG B 160 3808 3508 4626 -620 101 130 C ATOM 2588 C ARG B 160 20.672 10.293 -13.218 1.00 32.03 C ANISOU 2588 C ARG B 160 3732 3710 4725 -601 151 171 C ATOM 2589 O ARG B 160 21.819 10.708 -13.326 1.00 31.59 O ANISOU 2589 O ARG B 160 3569 3718 4713 -713 168 187 O ATOM 2590 CB ARG B 160 20.220 11.008 -10.895 1.00 33.26 C ANISOU 2590 CB ARG B 160 4010 3759 4868 -702 2 83 C ATOM 2591 CG ARG B 160 19.343 11.834 -9.871 1.00 37.52 C ANISOU 2591 CG ARG B 160 4706 4175 5373 -747 -29 14 C ATOM 2592 CD ARG B 160 19.776 11.648 -8.419 1.00 42.93 C ANISOU 2592 CD ARG B 160 5392 4886 6033 -841 -130 -35 C ATOM 2593 NE ARG B 160 19.262 10.353 -7.933 1.00 43.83 N ANISOU 2593 NE ARG B 160 5507 5056 6090 -753 -172 -57 N ATOM 2594 CZ ARG B 160 19.634 9.740 -6.807 1.00 47.22 C ANISOU 2594 CZ ARG B 160 5944 5524 6473 -807 -282 -75 C ATOM 2595 NH1 ARG B 160 19.097 8.561 -6.505 1.00 43.15 N ANISOU 2595 NH1 ARG B 160 5471 5035 5888 -739 -314 -83 N ATOM 2596 NH2 ARG B 160 20.534 10.297 -5.973 1.00 47.10 N ANISOU 2596 NH2 ARG B 160 5915 5514 6464 -948 -371 -81 N ATOM 0 H ARG B 160 18.046 10.019 -11.744 1.00 29.81 H new ATOM 0 HA ARG B 160 19.621 11.948 -12.672 1.00 31.43 H new ATOM 0 HB2 ARG B 160 20.267 10.086 -10.596 1.00 33.26 H new ATOM 0 HB3 ARG B 160 21.125 11.356 -10.885 1.00 33.26 H new ATOM 0 HG2 ARG B 160 19.392 12.776 -10.099 1.00 37.52 H new ATOM 0 HG3 ARG B 160 18.415 11.568 -9.962 1.00 37.52 H new ATOM 0 HD2 ARG B 160 20.743 11.673 -8.351 1.00 42.93 H new ATOM 0 HD3 ARG B 160 19.435 12.372 -7.871 1.00 42.93 H new ATOM 0 HE ARG B 160 18.671 9.959 -8.418 1.00 43.83 H new ATOM 0 HH11 ARG B 160 18.519 8.204 -7.032 1.00 43.15 H new ATOM 0 HH12 ARG B 160 19.328 8.156 -5.783 1.00 43.15 H new ATOM 0 HH21 ARG B 160 20.880 11.061 -6.162 1.00 47.10 H new ATOM 0 HH22 ARG B 160 20.762 9.888 -5.252 1.00 47.10 H new ATOM 2597 N ASN B 161 20.261 9.142 -13.751 1.00 30.42 N ANISOU 2597 N ASN B 161 3511 3553 4492 -466 175 170 N ATOM 2598 CA ASN B 161 21.115 8.220 -14.466 1.00 32.30 C ANISOU 2598 CA ASN B 161 3613 3906 4753 -407 225 178 C ATOM 2599 C ASN B 161 21.042 8.577 -15.975 1.00 32.71 C ANISOU 2599 C ASN B 161 3697 3964 4765 -427 355 222 C ATOM 2600 O ASN B 161 20.201 8.103 -16.747 1.00 32.12 O ANISOU 2600 O ASN B 161 3713 3864 4626 -344 393 234 O ATOM 2601 CB ASN B 161 20.699 6.773 -14.162 1.00 32.13 C ANISOU 2601 CB ASN B 161 3605 3898 4702 -262 172 147 C ATOM 2602 CG ASN B 161 21.691 5.749 -14.675 1.00 34.71 C ANISOU 2602 CG ASN B 161 3792 4325 5071 -167 202 132 C ATOM 2603 OD1 ASN B 161 22.506 6.045 -15.555 1.00 32.85 O ANISOU 2603 OD1 ASN B 161 3439 4171 4869 -200 305 137 O ATOM 2604 ND2 ASN B 161 21.646 4.559 -14.109 1.00 35.25 N ANISOU 2604 ND2 ASN B 161 3879 4383 5132 -53 113 106 N ATOM 0 H ASN B 161 19.445 8.875 -13.700 1.00 30.42 H new ATOM 0 HA ASN B 161 22.039 8.296 -14.182 1.00 32.30 H new ATOM 0 HB2 ASN B 161 20.598 6.666 -13.203 1.00 32.13 H new ATOM 0 HB3 ASN B 161 19.831 6.602 -14.559 1.00 32.13 H new ATOM 0 HD21 ASN B 161 22.201 3.947 -14.349 1.00 35.25 H new ATOM 0 HD22 ASN B 161 21.062 4.395 -13.499 1.00 35.25 H new ATOM 2605 N ALA B 162 21.970 9.441 -16.398 1.00 32.86 N ANISOU 2605 N ALA B 162 3651 4023 4810 -567 420 248 N ATOM 2606 CA ALA B 162 21.966 9.863 -17.782 1.00 32.93 C ANISOU 2606 CA ALA B 162 3723 4032 4755 -629 541 298 C ATOM 2607 C ALA B 162 22.312 8.734 -18.769 1.00 33.16 C ANISOU 2607 C ALA B 162 3664 4178 4756 -538 646 274 C ATOM 2608 O ALA B 162 21.695 8.586 -19.798 1.00 31.73 O ANISOU 2608 O ALA B 162 3601 3967 4486 -513 709 304 O ATOM 2609 CB ALA B 162 22.897 11.090 -17.921 1.00 34.41 C ANISOU 2609 CB ALA B 162 3886 4231 4955 -848 590 330 C ATOM 0 H ALA B 162 22.590 9.781 -15.909 1.00 32.86 H new ATOM 0 HA ALA B 162 21.062 10.116 -18.027 1.00 32.93 H new ATOM 0 HB1 ALA B 162 22.906 11.387 -18.845 1.00 34.41 H new ATOM 0 HB2 ALA B 162 22.573 11.808 -17.355 1.00 34.41 H new ATOM 0 HB3 ALA B 162 23.796 10.846 -17.651 1.00 34.41 H new ATOM 2610 N ALA B 163 23.358 7.993 -18.472 1.00 36.16 N ANISOU 2610 N ALA B 163 3835 4691 5211 -491 661 214 N ATOM 2611 CA ALA B 163 23.836 6.896 -19.284 1.00 37.35 C ANISOU 2611 CA ALA B 163 3883 4950 5356 -381 765 162 C ATOM 2612 C ALA B 163 22.755 5.867 -19.506 1.00 34.49 C ANISOU 2612 C ALA B 163 3671 4507 4926 -220 732 154 C ATOM 2613 O ALA B 163 22.558 5.429 -20.653 1.00 35.67 O ANISOU 2613 O ALA B 163 3884 4676 4992 -194 844 148 O ATOM 2614 CB ALA B 163 25.121 6.222 -18.649 1.00 38.60 C ANISOU 2614 CB ALA B 163 3770 5254 5643 -303 737 84 C ATOM 0 H ALA B 163 23.829 8.119 -17.764 1.00 36.16 H new ATOM 0 HA ALA B 163 24.085 7.265 -20.146 1.00 37.35 H new ATOM 0 HB1 ALA B 163 25.417 5.492 -19.215 1.00 38.60 H new ATOM 0 HB2 ALA B 163 25.829 6.881 -18.575 1.00 38.60 H new ATOM 0 HB3 ALA B 163 24.905 5.880 -17.767 1.00 38.60 H new ATOM 2615 N SER B 164 22.033 5.477 -18.455 1.00 34.10 N ANISOU 2615 N SER B 164 3694 4372 4891 -140 588 152 N ATOM 2616 CA SER B 164 21.010 4.444 -18.644 1.00 32.36 C ANISOU 2616 CA SER B 164 3614 4085 4594 -21 559 139 C ATOM 2617 C SER B 164 19.922 4.926 -19.591 1.00 32.01 C ANISOU 2617 C SER B 164 3735 3984 4440 -75 607 190 C ATOM 2618 O SER B 164 19.500 4.181 -20.474 1.00 31.23 O ANISOU 2618 O SER B 164 3718 3889 4257 -23 662 179 O ATOM 2619 CB SER B 164 20.416 3.902 -17.301 1.00 30.64 C ANISOU 2619 CB SER B 164 3457 3797 4388 37 405 123 C ATOM 2620 OG SER B 164 19.366 3.016 -17.626 1.00 31.31 O ANISOU 2620 OG SER B 164 3690 3828 4377 101 397 114 O ATOM 0 H SER B 164 22.113 5.782 -17.655 1.00 34.10 H new ATOM 0 HA SER B 164 21.456 3.686 -19.053 1.00 32.36 H new ATOM 0 HB2 SER B 164 21.100 3.446 -16.785 1.00 30.64 H new ATOM 0 HB3 SER B 164 20.088 4.633 -16.754 1.00 30.64 H new ATOM 0 HG SER B 164 19.679 2.342 -18.017 1.00 31.31 H new ATOM 2621 N ALA B 165 19.473 6.174 -19.402 1.00 31.64 N ANISOU 2621 N ALA B 165 3749 3878 4394 -174 572 242 N ATOM 2622 CA ALA B 165 18.448 6.716 -20.219 1.00 32.45 C ANISOU 2622 CA ALA B 165 4002 3916 4409 -202 577 296 C ATOM 2623 C ALA B 165 18.915 6.745 -21.658 1.00 33.22 C ANISOU 2623 C ALA B 165 4130 4063 4426 -261 705 327 C ATOM 2624 O ALA B 165 18.182 6.406 -22.551 1.00 32.54 O ANISOU 2624 O ALA B 165 4160 3963 4237 -239 720 348 O ATOM 2625 CB ALA B 165 18.023 8.114 -19.745 1.00 32.39 C ANISOU 2625 CB ALA B 165 4060 3812 4433 -274 509 338 C ATOM 0 H ALA B 165 19.767 6.707 -18.795 1.00 31.64 H new ATOM 0 HA ALA B 165 17.665 6.148 -20.150 1.00 32.45 H new ATOM 0 HB1 ALA B 165 17.323 8.453 -20.324 1.00 32.39 H new ATOM 0 HB2 ALA B 165 17.691 8.060 -18.835 1.00 32.39 H new ATOM 0 HB3 ALA B 165 18.786 8.712 -19.776 1.00 32.39 H new ATOM 2626 N ALA B 166 20.166 7.131 -21.886 1.00 36.03 N ANISOU 2626 N ALA B 166 4375 4493 4818 -354 803 322 N ATOM 2627 CA ALA B 166 20.664 7.247 -23.284 1.00 37.59 C ANISOU 2627 CA ALA B 166 4610 4755 4917 -451 955 343 C ATOM 2628 C ALA B 166 20.728 5.845 -23.911 1.00 37.41 C ANISOU 2628 C ALA B 166 4566 4804 4842 -336 1038 270 C ATOM 2629 O ALA B 166 20.409 5.641 -25.100 1.00 38.90 O ANISOU 2629 O ALA B 166 4883 4999 4896 -372 1120 287 O ATOM 2630 CB ALA B 166 21.981 7.880 -23.275 1.00 39.64 C ANISOU 2630 CB ALA B 166 4725 5106 5228 -591 1054 331 C ATOM 0 H ALA B 166 20.738 7.328 -21.275 1.00 36.03 H new ATOM 0 HA ALA B 166 20.065 7.796 -23.814 1.00 37.59 H new ATOM 0 HB1 ALA B 166 22.309 7.957 -24.184 1.00 39.64 H new ATOM 0 HB2 ALA B 166 21.913 8.763 -22.880 1.00 39.64 H new ATOM 0 HB3 ALA B 166 22.596 7.340 -22.755 1.00 39.64 H new ATOM 2631 N ALA B 167 21.213 4.890 -23.130 1.00 37.63 N ANISOU 2631 N ALA B 167 4449 4876 4969 -203 1014 187 N ATOM 2632 CA ALA B 167 21.226 3.456 -23.522 1.00 36.58 C ANISOU 2632 CA ALA B 167 4325 4768 4802 -59 1063 105 C ATOM 2633 C ALA B 167 19.848 2.953 -23.963 1.00 35.92 C ANISOU 2633 C ALA B 167 4461 4595 4592 -29 1004 134 C ATOM 2634 O ALA B 167 19.731 2.263 -24.982 1.00 35.03 O ANISOU 2634 O ALA B 167 4440 4499 4369 -14 1097 101 O ATOM 2635 CB ALA B 167 21.737 2.599 -22.392 1.00 36.99 C ANISOU 2635 CB ALA B 167 4245 4827 4982 91 977 36 C ATOM 0 H ALA B 167 21.548 5.041 -22.352 1.00 37.63 H new ATOM 0 HA ALA B 167 21.823 3.385 -24.283 1.00 36.58 H new ATOM 0 HB1 ALA B 167 21.738 1.669 -22.666 1.00 36.99 H new ATOM 0 HB2 ALA B 167 22.640 2.869 -22.163 1.00 36.99 H new ATOM 0 HB3 ALA B 167 21.162 2.707 -21.618 1.00 36.99 H new ATOM 2636 N ALA B 168 18.797 3.292 -23.195 1.00 35.06 N ANISOU 2636 N ALA B 168 4425 4402 4492 -30 854 185 N ATOM 2637 CA ALA B 168 17.466 2.876 -23.565 1.00 34.25 C ANISOU 2637 CA ALA B 168 4488 4246 4277 -18 790 205 C ATOM 2638 C ALA B 168 17.045 3.399 -24.924 1.00 35.20 C ANISOU 2638 C ALA B 168 4737 4372 4264 -112 844 267 C ATOM 2639 O ALA B 168 16.453 2.687 -25.723 1.00 35.83 O ANISOU 2639 O ALA B 168 4940 4454 4220 -108 859 255 O ATOM 2640 CB ALA B 168 16.427 3.334 -22.503 1.00 33.73 C ANISOU 2640 CB ALA B 168 4438 4121 4254 -15 639 233 C ATOM 0 H ALA B 168 18.847 3.754 -22.472 1.00 35.06 H new ATOM 0 HA ALA B 168 17.491 1.907 -23.610 1.00 34.25 H new ATOM 0 HB1 ALA B 168 15.541 3.044 -22.771 1.00 33.73 H new ATOM 0 HB2 ALA B 168 16.648 2.943 -21.644 1.00 33.73 H new ATOM 0 HB3 ALA B 168 16.443 4.301 -22.431 1.00 33.73 H new ATOM 2641 N ARG B 169 17.259 4.668 -25.145 1.00 36.84 N ANISOU 2641 N ARG B 169 4947 4567 4483 -208 850 339 N ATOM 2642 CA ARG B 169 16.902 5.301 -26.405 1.00 38.49 C ANISOU 2642 CA ARG B 169 5311 4759 4552 -314 876 420 C ATOM 2643 C ARG B 169 17.689 4.635 -27.543 1.00 40.20 C ANISOU 2643 C ARG B 169 5557 5058 4657 -365 1056 373 C ATOM 2644 O ARG B 169 17.102 4.223 -28.512 1.00 39.38 O ANISOU 2644 O ARG B 169 5605 4955 4403 -393 1067 387 O ATOM 2645 CB ARG B 169 17.124 6.817 -26.331 1.00 40.47 C ANISOU 2645 CB ARG B 169 5589 4950 4837 -418 844 508 C ATOM 2646 CG ARG B 169 16.376 7.593 -27.468 1.00 45.65 C ANISOU 2646 CG ARG B 169 6463 5535 5345 -504 786 622 C ATOM 2647 CD ARG B 169 17.281 8.497 -28.339 1.00 53.57 C ANISOU 2647 CD ARG B 169 7560 6534 6259 -694 899 691 C ATOM 2648 NE ARG B 169 17.420 9.839 -27.803 1.00 57.51 N ANISOU 2648 NE ARG B 169 8093 6924 6832 -759 824 761 N ATOM 2649 CZ ARG B 169 17.945 10.872 -28.468 1.00 61.34 C ANISOU 2649 CZ ARG B 169 8722 7354 7228 -947 871 850 C ATOM 2650 NH1 ARG B 169 18.395 10.745 -29.711 1.00 64.04 N ANISOU 2650 NH1 ARG B 169 9179 7758 7393 -1102 1003 881 N ATOM 2651 NH2 ARG B 169 18.024 12.053 -27.874 1.00 65.09 N ANISOU 2651 NH2 ARG B 169 9250 7703 7776 -998 788 906 N ATOM 0 H ARG B 169 17.617 5.199 -24.572 1.00 36.84 H new ATOM 0 HA ARG B 169 15.957 5.176 -26.586 1.00 38.49 H new ATOM 0 HB2 ARG B 169 16.821 7.143 -25.469 1.00 40.47 H new ATOM 0 HB3 ARG B 169 18.074 7.004 -26.388 1.00 40.47 H new ATOM 0 HG2 ARG B 169 15.932 6.950 -28.043 1.00 45.65 H new ATOM 0 HG3 ARG B 169 15.683 8.141 -27.067 1.00 45.65 H new ATOM 0 HD2 ARG B 169 18.159 8.091 -28.415 1.00 53.57 H new ATOM 0 HD3 ARG B 169 16.913 8.548 -29.235 1.00 53.57 H new ATOM 0 HE ARG B 169 17.145 9.979 -27.000 1.00 57.51 H new ATOM 0 HH11 ARG B 169 18.352 9.983 -30.108 1.00 64.04 H new ATOM 0 HH12 ARG B 169 18.729 11.424 -30.119 1.00 64.04 H new ATOM 0 HH21 ARG B 169 17.739 12.149 -27.068 1.00 65.09 H new ATOM 0 HH22 ARG B 169 18.360 12.724 -28.294 1.00 65.09 H new ATOM 2652 N ARG B 170 18.965 4.452 -27.339 1.00 41.27 N ANISOU 2652 N ARG B 170 5533 5276 4870 -371 1194 303 N ATOM 2653 CA ARG B 170 19.820 3.807 -28.295 1.00 44.96 C ANISOU 2653 CA ARG B 170 5983 5843 5254 -399 1395 221 C ATOM 2654 C ARG B 170 19.311 2.428 -28.685 1.00 44.59 C ANISOU 2654 C ARG B 170 6024 5785 5133 -280 1408 139 C ATOM 2655 O ARG B 170 19.271 2.122 -29.838 1.00 45.53 O ANISOU 2655 O ARG B 170 6264 5940 5094 -343 1535 109 O ATOM 2656 CB ARG B 170 21.218 3.770 -27.723 1.00 45.97 C ANISOU 2656 CB ARG B 170 5858 6084 5524 -390 1517 139 C ATOM 2657 CG ARG B 170 22.257 3.199 -28.554 1.00 51.25 C ANISOU 2657 CG ARG B 170 6432 6879 6159 -367 1732 11 C ATOM 2658 CD ARG B 170 23.659 3.677 -28.139 1.00 55.42 C ANISOU 2658 CD ARG B 170 6665 7560 6830 -403 1852 -59 C ATOM 2659 NE ARG B 170 24.015 3.578 -26.730 1.00 54.40 N ANISOU 2659 NE ARG B 170 6347 7417 6906 -284 1699 -67 N ATOM 2660 CZ ARG B 170 24.227 4.621 -25.940 1.00 53.63 C ANISOU 2660 CZ ARG B 170 6183 7305 6889 -393 1603 11 C ATOM 2661 NH1 ARG B 170 24.560 4.423 -24.709 1.00 51.40 N ANISOU 2661 NH1 ARG B 170 5746 7013 6768 -279 1466 -11 N ATOM 2662 NH2 ARG B 170 24.103 5.859 -26.370 1.00 51.90 N ANISOU 2662 NH2 ARG B 170 6073 7064 6581 -621 1632 112 N ATOM 0 H ARG B 170 19.371 4.705 -26.624 1.00 41.27 H new ATOM 0 HA ARG B 170 19.825 4.313 -29.122 1.00 44.96 H new ATOM 0 HB2 ARG B 170 21.476 4.678 -27.500 1.00 45.97 H new ATOM 0 HB3 ARG B 170 21.190 3.271 -26.892 1.00 45.97 H new ATOM 0 HG2 ARG B 170 22.217 2.231 -28.500 1.00 51.25 H new ATOM 0 HG3 ARG B 170 22.096 3.438 -29.480 1.00 51.25 H new ATOM 0 HD2 ARG B 170 24.311 3.170 -28.648 1.00 55.42 H new ATOM 0 HD3 ARG B 170 23.750 4.605 -28.406 1.00 55.42 H new ATOM 0 HE ARG B 170 24.093 2.792 -26.389 1.00 54.40 H new ATOM 0 HH11 ARG B 170 24.642 3.621 -24.409 1.00 51.40 H new ATOM 0 HH12 ARG B 170 24.700 5.093 -24.188 1.00 51.40 H new ATOM 0 HH21 ARG B 170 23.878 6.010 -27.186 1.00 51.90 H new ATOM 0 HH22 ARG B 170 24.247 6.517 -25.835 1.00 51.90 H new ATOM 2663 N PHE B 171 18.881 1.614 -27.729 1.00 42.83 N ANISOU 2663 N PHE B 171 5774 5502 4996 -134 1281 103 N ATOM 2664 CA PHE B 171 18.307 0.280 -28.047 1.00 42.57 C ANISOU 2664 CA PHE B 171 5874 5427 4870 -50 1274 34 C ATOM 2665 C PHE B 171 16.963 0.348 -28.761 1.00 42.21 C ANISOU 2665 C PHE B 171 6041 5340 4655 -142 1185 107 C ATOM 2666 O PHE B 171 16.510 -0.656 -29.269 1.00 43.00 O ANISOU 2666 O PHE B 171 6280 5417 4639 -126 1197 54 O ATOM 2667 CB PHE B 171 18.099 -0.576 -26.798 1.00 42.27 C ANISOU 2667 CB PHE B 171 5790 5323 4946 93 1151 -12 C ATOM 2668 CG PHE B 171 19.310 -1.261 -26.344 1.00 44.18 C ANISOU 2668 CG PHE B 171 5885 5587 5312 235 1222 -115 C ATOM 2669 CD1 PHE B 171 19.824 -2.321 -27.078 1.00 47.06 C ANISOU 2669 CD1 PHE B 171 6302 5956 5622 324 1353 -230 C ATOM 2670 CD2 PHE B 171 19.961 -0.853 -25.223 1.00 45.63 C ANISOU 2670 CD2 PHE B 171 5879 5791 5666 288 1156 -108 C ATOM 2671 CE1 PHE B 171 20.975 -2.954 -26.681 1.00 47.46 C ANISOU 2671 CE1 PHE B 171 6196 6029 5808 495 1409 -338 C ATOM 2672 CE2 PHE B 171 21.117 -1.485 -24.819 1.00 50.83 C ANISOU 2672 CE2 PHE B 171 6379 6483 6450 437 1196 -204 C ATOM 2673 CZ PHE B 171 21.618 -2.533 -25.542 1.00 49.37 C ANISOU 2673 CZ PHE B 171 6226 6300 6229 555 1318 -320 C ATOM 0 H PHE B 171 18.906 1.801 -26.890 1.00 42.83 H new ATOM 0 HA PHE B 171 18.968 -0.119 -28.635 1.00 42.57 H new ATOM 0 HB2 PHE B 171 17.768 -0.012 -26.081 1.00 42.27 H new ATOM 0 HB3 PHE B 171 17.412 -1.237 -26.979 1.00 42.27 H new ATOM 0 HD1 PHE B 171 19.384 -2.605 -27.846 1.00 47.06 H new ATOM 0 HD2 PHE B 171 19.624 -0.143 -24.726 1.00 45.63 H new ATOM 0 HE1 PHE B 171 21.317 -3.662 -27.178 1.00 47.46 H new ATOM 0 HE2 PHE B 171 21.558 -1.198 -24.052 1.00 50.83 H new ATOM 0 HZ PHE B 171 22.395 -2.961 -25.262 1.00 49.37 H new ATOM 2674 N GLY B 172 16.300 1.510 -28.767 1.00 40.59 N ANISOU 2674 N GLY B 172 5865 5118 4439 -230 1078 224 N ATOM 2675 CA GLY B 172 15.020 1.634 -29.425 1.00 40.34 C ANISOU 2675 CA GLY B 172 6002 5061 4263 -297 962 296 C ATOM 2676 C GLY B 172 13.840 1.738 -28.480 1.00 37.63 C ANISOU 2676 C GLY B 172 5622 4682 3991 -244 770 326 C ATOM 2677 O GLY B 172 12.721 1.758 -28.916 1.00 39.29 O ANISOU 2677 O GLY B 172 5928 4895 4103 -282 657 369 O ATOM 0 H GLY B 172 16.583 2.231 -28.393 1.00 40.59 H new ATOM 0 HA2 GLY B 172 15.035 2.420 -29.994 1.00 40.34 H new ATOM 0 HA3 GLY B 172 14.890 0.867 -30.004 1.00 40.34 H new ATOM 2678 N PHE B 173 14.085 1.766 -27.177 1.00 35.67 N ANISOU 2678 N PHE B 173 5229 4416 3906 -163 733 292 N ATOM 2679 CA PHE B 173 12.989 1.907 -26.207 1.00 32.24 C ANISOU 2679 CA PHE B 173 4750 3965 3534 -130 578 302 C ATOM 2680 C PHE B 173 12.359 3.283 -26.313 1.00 31.34 C ANISOU 2680 C PHE B 173 4631 3831 3444 -153 476 392 C ATOM 2681 O PHE B 173 13.037 4.284 -26.656 1.00 34.69 O ANISOU 2681 O PHE B 173 5063 4226 3892 -191 518 453 O ATOM 2682 CB PHE B 173 13.476 1.691 -24.780 1.00 30.87 C ANISOU 2682 CB PHE B 173 4448 3771 3507 -60 568 247 C ATOM 2683 CG PHE B 173 13.847 0.283 -24.455 1.00 31.89 C ANISOU 2683 CG PHE B 173 4606 3887 3622 -9 608 163 C ATOM 2684 CD1 PHE B 173 12.930 -0.552 -23.866 1.00 27.92 C ANISOU 2684 CD1 PHE B 173 4162 3369 3075 -17 524 127 C ATOM 2685 CD2 PHE B 173 15.108 -0.221 -24.751 1.00 37.22 C ANISOU 2685 CD2 PHE B 173 5256 4563 4323 45 729 114 C ATOM 2686 CE1 PHE B 173 13.230 -1.860 -23.558 1.00 27.40 C ANISOU 2686 CE1 PHE B 173 4174 3253 2980 23 540 59 C ATOM 2687 CE2 PHE B 173 15.431 -1.558 -24.416 1.00 35.34 C ANISOU 2687 CE2 PHE B 173 5067 4279 4080 128 741 32 C ATOM 2688 CZ PHE B 173 14.459 -2.370 -23.826 1.00 31.74 C ANISOU 2688 CZ PHE B 173 4718 3773 3567 111 637 14 C ATOM 0 H PHE B 173 14.869 1.706 -26.829 1.00 35.67 H new ATOM 0 HA PHE B 173 12.329 1.228 -26.417 1.00 32.24 H new ATOM 0 HB2 PHE B 173 14.246 2.260 -24.624 1.00 30.87 H new ATOM 0 HB3 PHE B 173 12.782 1.980 -24.167 1.00 30.87 H new ATOM 0 HD1 PHE B 173 12.082 -0.225 -23.669 1.00 27.92 H new ATOM 0 HD2 PHE B 173 15.739 0.320 -25.169 1.00 37.22 H new ATOM 0 HE1 PHE B 173 12.584 -2.400 -23.162 1.00 27.40 H new ATOM 0 HE2 PHE B 173 16.282 -1.893 -24.587 1.00 35.34 H new ATOM 0 HZ PHE B 173 14.653 -3.255 -23.618 1.00 31.74 H new ATOM 2689 N GLN B 174 11.066 3.380 -26.054 1.00 30.57 N ANISOU 2689 N GLN B 174 4526 3749 3339 -133 340 399 N ATOM 2690 CA GLN B 174 10.364 4.659 -26.195 1.00 30.13 C ANISOU 2690 CA GLN B 174 4469 3661 3316 -113 219 475 C ATOM 2691 C GLN B 174 10.039 5.170 -24.801 1.00 28.48 C ANISOU 2691 C GLN B 174 4123 3433 3262 -40 162 429 C ATOM 2692 O GLN B 174 9.586 4.413 -23.993 1.00 23.68 O ANISOU 2692 O GLN B 174 3444 2877 2675 -28 152 350 O ATOM 2693 CB GLN B 174 9.060 4.449 -26.935 1.00 32.74 C ANISOU 2693 CB GLN B 174 4856 4046 3536 -123 92 499 C ATOM 2694 CG GLN B 174 9.214 3.947 -28.418 1.00 36.36 C ANISOU 2694 CG GLN B 174 5489 4524 3800 -218 130 546 C ATOM 2695 CD GLN B 174 9.982 4.898 -29.301 1.00 42.03 C ANISOU 2695 CD GLN B 174 6329 5174 4467 -272 172 645 C ATOM 2696 OE1 GLN B 174 10.956 4.503 -29.964 1.00 49.06 O ANISOU 2696 OE1 GLN B 174 7304 6069 5266 -353 327 637 O ATOM 2697 NE2 GLN B 174 9.586 6.156 -29.306 1.00 41.62 N ANISOU 2697 NE2 GLN B 174 6293 5051 4467 -231 45 731 N ATOM 0 H GLN B 174 10.572 2.725 -25.796 1.00 30.57 H new ATOM 0 HA GLN B 174 10.919 5.287 -26.683 1.00 30.13 H new ATOM 0 HB2 GLN B 174 8.524 3.807 -26.444 1.00 32.74 H new ATOM 0 HB3 GLN B 174 8.568 5.285 -26.940 1.00 32.74 H new ATOM 0 HG2 GLN B 174 9.662 3.087 -28.415 1.00 36.36 H new ATOM 0 HG3 GLN B 174 8.332 3.806 -28.797 1.00 36.36 H new ATOM 0 HE21 GLN B 174 8.907 6.395 -28.835 1.00 41.62 H new ATOM 0 HE22 GLN B 174 10.006 6.737 -29.780 1.00 41.62 H new ATOM 2698 N PHE B 175 10.220 6.459 -24.544 1.00 27.37 N ANISOU 2698 N PHE B 175 3973 3212 3213 -8 123 476 N ATOM 2699 CA PHE B 175 9.978 7.019 -23.186 1.00 26.05 C ANISOU 2699 CA PHE B 175 3693 3016 3187 55 85 416 C ATOM 2700 C PHE B 175 8.478 7.131 -22.950 1.00 27.07 C ANISOU 2700 C PHE B 175 3754 3197 3332 131 -36 374 C ATOM 2701 O PHE B 175 7.761 7.627 -23.797 1.00 28.17 O ANISOU 2701 O PHE B 175 3942 3328 3433 173 -140 432 O ATOM 2702 CB PHE B 175 10.709 8.356 -22.953 1.00 27.29 C ANISOU 2702 CB PHE B 175 3884 3053 3431 52 90 466 C ATOM 2703 CG PHE B 175 10.316 9.057 -21.696 1.00 26.01 C ANISOU 2703 CG PHE B 175 3642 2844 3394 120 41 401 C ATOM 2704 CD1 PHE B 175 10.785 8.652 -20.459 1.00 24.04 C ANISOU 2704 CD1 PHE B 175 3301 2623 3208 96 99 318 C ATOM 2705 CD2 PHE B 175 9.468 10.176 -21.744 1.00 31.30 C ANISOU 2705 CD2 PHE B 175 4344 3429 4116 215 -72 417 C ATOM 2706 CE1 PHE B 175 10.408 9.300 -19.329 1.00 23.65 C ANISOU 2706 CE1 PHE B 175 3201 2534 3251 140 66 248 C ATOM 2707 CE2 PHE B 175 9.097 10.851 -20.565 1.00 26.92 C ANISOU 2707 CE2 PHE B 175 3723 2826 3678 288 -99 331 C ATOM 2708 CZ PHE B 175 9.564 10.401 -19.363 1.00 26.76 C ANISOU 2708 CZ PHE B 175 3618 2849 3699 236 -19 243 C ATOM 0 H PHE B 175 10.480 7.035 -25.127 1.00 27.37 H new ATOM 0 HA PHE B 175 10.354 6.409 -22.532 1.00 26.05 H new ATOM 0 HB2 PHE B 175 11.665 8.191 -22.934 1.00 27.29 H new ATOM 0 HB3 PHE B 175 10.537 8.943 -23.706 1.00 27.29 H new ATOM 0 HD1 PHE B 175 11.365 7.927 -20.402 1.00 24.04 H new ATOM 0 HD2 PHE B 175 9.148 10.475 -22.564 1.00 31.30 H new ATOM 0 HE1 PHE B 175 10.724 8.998 -18.508 1.00 23.65 H new ATOM 0 HE2 PHE B 175 8.540 11.595 -20.604 1.00 26.92 H new ATOM 0 HZ PHE B 175 9.319 10.829 -18.574 1.00 26.76 H new ATOM 2709 N GLU B 176 7.977 6.561 -21.853 1.00 24.70 N ANISOU 2709 N GLU B 176 3341 2971 3073 138 -25 268 N ATOM 2710 CA GLU B 176 6.542 6.628 -21.549 1.00 24.97 C ANISOU 2710 CA GLU B 176 3265 3096 3126 196 -115 199 C ATOM 2711 C GLU B 176 6.199 7.630 -20.476 1.00 24.94 C ANISOU 2711 C GLU B 176 3167 3052 3256 285 -137 128 C ATOM 2712 O GLU B 176 5.127 8.222 -20.492 1.00 25.92 O ANISOU 2712 O GLU B 176 3204 3212 3431 388 -228 87 O ATOM 2713 CB GLU B 176 6.036 5.243 -21.108 1.00 24.37 C ANISOU 2713 CB GLU B 176 3137 3152 2970 104 -76 114 C ATOM 2714 CG GLU B 176 5.907 4.276 -22.307 1.00 23.76 C ANISOU 2714 CG GLU B 176 3155 3127 2744 29 -88 163 C ATOM 2715 CD GLU B 176 5.368 2.911 -21.928 1.00 28.06 C ANISOU 2715 CD GLU B 176 3690 3778 3192 -83 -60 83 C ATOM 2716 OE1 GLU B 176 5.541 2.469 -20.736 1.00 25.88 O ANISOU 2716 OE1 GLU B 176 3384 3504 2942 -128 -1 10 O ATOM 2717 OE2 GLU B 176 4.832 2.230 -22.855 1.00 28.98 O ANISOU 2717 OE2 GLU B 176 3864 3962 3185 -150 -100 100 O ATOM 0 H GLU B 176 8.446 6.133 -21.274 1.00 24.70 H new ATOM 0 HA GLU B 176 6.107 6.918 -22.366 1.00 24.97 H new ATOM 0 HB2 GLU B 176 6.646 4.868 -20.453 1.00 24.37 H new ATOM 0 HB3 GLU B 176 5.174 5.336 -20.672 1.00 24.37 H new ATOM 0 HG2 GLU B 176 5.323 4.673 -22.972 1.00 23.76 H new ATOM 0 HG3 GLU B 176 6.777 4.168 -22.722 1.00 23.76 H new ATOM 2718 N GLY B 177 7.074 7.810 -19.500 1.00 23.51 N ANISOU 2718 N GLY B 177 2994 2804 3134 251 -58 97 N ATOM 2719 CA GLY B 177 6.783 8.844 -18.499 1.00 25.03 C ANISOU 2719 CA GLY B 177 3129 2940 3442 327 -72 20 C ATOM 2720 C GLY B 177 7.644 8.637 -17.254 1.00 23.39 C ANISOU 2720 C GLY B 177 2923 2706 3257 242 15 -33 C ATOM 2721 O GLY B 177 8.454 7.707 -17.205 1.00 23.53 O ANISOU 2721 O GLY B 177 2977 2747 3217 148 67 -3 O ATOM 0 H GLY B 177 7.807 7.374 -19.393 1.00 23.51 H new ATOM 0 HA2 GLY B 177 6.952 9.722 -18.874 1.00 25.03 H new ATOM 0 HA3 GLY B 177 5.844 8.814 -18.258 1.00 25.03 H new ATOM 2722 N THR B 178 7.463 9.513 -16.279 1.00 25.86 N ANISOU 2722 N THR B 178 3508 3185 3130 -307 -95 -117 N ATOM 2723 CA THR B 178 8.311 9.549 -15.089 1.00 25.26 C ANISOU 2723 CA THR B 178 3359 3089 3148 -215 -48 -145 C ATOM 2724 C THR B 178 7.444 9.354 -13.851 1.00 23.09 C ANISOU 2724 C THR B 178 3004 2856 2911 -172 -100 -123 C ATOM 2725 O THR B 178 6.466 10.097 -13.631 1.00 24.18 O ANISOU 2725 O THR B 178 3092 3037 3057 -159 -162 -76 O ATOM 2726 CB THR B 178 9.142 10.815 -14.980 1.00 24.75 C ANISOU 2726 CB THR B 178 3261 3011 3128 -164 -29 -145 C ATOM 2727 OG1 THR B 178 10.056 10.838 -16.062 1.00 25.20 O ANISOU 2727 OG1 THR B 178 3397 3016 3161 -204 43 -175 O ATOM 2728 CG2 THR B 178 9.946 10.749 -13.631 1.00 24.26 C ANISOU 2728 CG2 THR B 178 3123 2939 3153 -91 -8 -165 C ATOM 0 H THR B 178 6.843 10.109 -16.285 1.00 25.86 H new ATOM 0 HA THR B 178 8.951 8.824 -15.164 1.00 25.26 H new ATOM 0 HB THR B 178 8.581 11.606 -15.001 1.00 24.75 H new ATOM 0 HG1 THR B 178 10.693 10.314 -15.902 1.00 25.20 H new ATOM 0 HG21 THR B 178 10.487 11.549 -13.537 1.00 24.26 H new ATOM 0 HG22 THR B 178 9.326 10.689 -12.887 1.00 24.26 H new ATOM 0 HG23 THR B 178 10.522 9.968 -13.635 1.00 24.26 H new ATOM 2729 N LEU B 179 7.742 8.274 -13.125 1.00 23.07 N ANISOU 2729 N LEU B 179 2998 2831 2934 -155 -65 -151 N ATOM 2730 CA LEU B 179 7.113 7.980 -11.875 1.00 22.03 C ANISOU 2730 CA LEU B 179 2813 2722 2834 -118 -93 -140 C ATOM 2731 C LEU B 179 7.781 8.828 -10.787 1.00 20.68 C ANISOU 2731 C LEU B 179 2589 2546 2721 -47 -94 -139 C ATOM 2732 O LEU B 179 8.901 8.519 -10.313 1.00 22.45 O ANISOU 2732 O LEU B 179 2807 2740 2983 -16 -66 -158 O ATOM 2733 CB LEU B 179 7.243 6.452 -11.558 1.00 22.00 C ANISOU 2733 CB LEU B 179 2848 2686 2825 -131 -51 -167 C ATOM 2734 CG LEU B 179 6.799 5.401 -12.590 1.00 23.30 C ANISOU 2734 CG LEU B 179 3096 2835 2919 -221 -24 -184 C ATOM 2735 CD1 LEU B 179 6.988 3.855 -12.198 1.00 24.18 C ANISOU 2735 CD1 LEU B 179 3259 2895 3032 -228 44 -212 C ATOM 2736 CD2 LEU B 179 5.307 5.631 -13.011 1.00 23.13 C ANISOU 2736 CD2 LEU B 179 3063 2878 2847 -290 -105 -149 C ATOM 0 H LEU B 179 8.328 7.692 -13.364 1.00 23.07 H new ATOM 0 HA LEU B 179 6.168 8.194 -11.913 1.00 22.03 H new ATOM 0 HB2 LEU B 179 8.176 6.280 -11.357 1.00 22.00 H new ATOM 0 HB3 LEU B 179 6.742 6.284 -10.745 1.00 22.00 H new ATOM 0 HG LEU B 179 7.417 5.551 -13.322 1.00 23.30 H new ATOM 0 HD11 LEU B 179 6.673 3.296 -12.925 1.00 24.18 H new ATOM 0 HD12 LEU B 179 7.927 3.675 -12.035 1.00 24.18 H new ATOM 0 HD13 LEU B 179 6.478 3.660 -11.396 1.00 24.18 H new ATOM 0 HD21 LEU B 179 5.047 4.960 -13.661 1.00 23.13 H new ATOM 0 HD22 LEU B 179 4.736 5.563 -12.230 1.00 23.13 H new ATOM 0 HD23 LEU B 179 5.214 6.513 -13.403 1.00 23.13 H new ATOM 2737 N ARG B 180 7.117 9.885 -10.395 1.00 21.14 N ANISOU 2737 N ARG B 180 2611 2630 2791 -27 -125 -113 N ATOM 2738 CA ARG B 180 7.652 10.855 -9.464 1.00 22.11 C ANISOU 2738 CA ARG B 180 2709 2742 2948 15 -119 -115 C ATOM 2739 C ARG B 180 7.725 10.372 -8.040 1.00 20.93 C ANISOU 2739 C ARG B 180 2557 2582 2811 34 -121 -125 C ATOM 2740 O ARG B 180 6.792 9.768 -7.524 1.00 21.24 O ANISOU 2740 O ARG B 180 2598 2627 2843 29 -123 -118 O ATOM 2741 CB ARG B 180 6.871 12.159 -9.568 1.00 21.85 C ANISOU 2741 CB ARG B 180 2655 2720 2925 28 -125 -81 C ATOM 2742 CG ARG B 180 6.688 12.712 -10.955 1.00 24.01 C ANISOU 2742 CG ARG B 180 2939 3004 3177 6 -139 -55 C ATOM 2743 CD ARG B 180 5.616 13.798 -10.911 1.00 22.53 C ANISOU 2743 CD ARG B 180 2714 2825 3019 33 -149 2 C ATOM 2744 NE ARG B 180 4.304 13.410 -10.372 1.00 23.07 N ANISOU 2744 NE ARG B 180 2731 2913 3120 40 -164 38 N ATOM 2745 CZ ARG B 180 3.445 14.260 -9.765 1.00 24.70 C ANISOU 2745 CZ ARG B 180 2891 3105 3388 84 -134 81 C ATOM 2746 NH1 ARG B 180 3.698 15.573 -9.626 1.00 24.49 N ANISOU 2746 NH1 ARG B 180 2873 3041 3389 123 -89 94 N ATOM 2747 NH2 ARG B 180 2.310 13.816 -9.317 1.00 24.72 N ANISOU 2747 NH2 ARG B 180 2840 3119 3433 86 -134 112 N ATOM 0 H ARG B 180 6.322 10.069 -10.666 1.00 21.14 H new ATOM 0 HA ARG B 180 8.575 11.005 -9.723 1.00 22.11 H new ATOM 0 HB2 ARG B 180 5.994 12.022 -9.176 1.00 21.85 H new ATOM 0 HB3 ARG B 180 7.321 12.828 -9.029 1.00 21.85 H new ATOM 0 HG2 ARG B 180 7.524 13.078 -11.284 1.00 24.01 H new ATOM 0 HG3 ARG B 180 6.427 12.006 -11.567 1.00 24.01 H new ATOM 0 HD2 ARG B 180 5.955 14.536 -10.381 1.00 22.53 H new ATOM 0 HD3 ARG B 180 5.486 14.132 -11.812 1.00 22.53 H new ATOM 0 HE ARG B 180 4.067 12.587 -10.448 1.00 23.07 H new ATOM 0 HH11 ARG B 180 4.431 15.904 -9.929 1.00 24.49 H new ATOM 0 HH12 ARG B 180 3.126 16.082 -9.234 1.00 24.49 H new ATOM 0 HH21 ARG B 180 2.108 12.985 -9.407 1.00 24.72 H new ATOM 0 HH22 ARG B 180 1.761 14.353 -8.930 1.00 24.72 H new ATOM 2748 N GLN B 181 8.856 10.600 -7.362 1.00 19.98 N ANISOU 2748 N GLN B 181 2436 2446 2709 47 -125 -138 N ATOM 2749 CA GLN B 181 8.954 10.080 -5.973 1.00 20.59 C ANISOU 2749 CA GLN B 181 2528 2512 2781 53 -144 -137 C ATOM 2750 C GLN B 181 8.626 8.596 -5.848 1.00 20.19 C ANISOU 2750 C GLN B 181 2493 2454 2723 54 -141 -135 C ATOM 2751 O GLN B 181 7.981 8.170 -4.904 1.00 20.78 O ANISOU 2751 O GLN B 181 2595 2521 2778 51 -143 -132 O ATOM 2752 CB GLN B 181 8.082 10.908 -4.956 1.00 22.56 C ANISOU 2752 CB GLN B 181 2806 2754 3010 47 -131 -135 C ATOM 2753 CG GLN B 181 8.470 12.391 -4.916 1.00 22.41 C ANISOU 2753 CG GLN B 181 2793 2726 2993 41 -117 -139 C ATOM 2754 CD GLN B 181 7.889 13.257 -3.864 1.00 23.66 C ANISOU 2754 CD GLN B 181 3002 2854 3133 27 -78 -143 C ATOM 2755 OE1 GLN B 181 8.226 14.447 -3.819 1.00 22.59 O ANISOU 2755 OE1 GLN B 181 2887 2700 2994 15 -53 -151 O ATOM 2756 NE2 GLN B 181 7.042 12.721 -2.974 1.00 22.08 N ANISOU 2756 NE2 GLN B 181 2837 2634 2916 23 -55 -143 N ATOM 0 H GLN B 181 9.543 11.025 -7.657 1.00 19.98 H new ATOM 0 HA GLN B 181 9.890 10.189 -5.741 1.00 20.59 H new ATOM 0 HB2 GLN B 181 7.146 10.829 -5.198 1.00 22.56 H new ATOM 0 HB3 GLN B 181 8.178 10.528 -4.069 1.00 22.56 H new ATOM 0 HG2 GLN B 181 9.435 12.439 -4.835 1.00 22.41 H new ATOM 0 HG3 GLN B 181 8.238 12.778 -5.775 1.00 22.41 H new ATOM 0 HE21 GLN B 181 6.827 11.890 -3.032 1.00 22.08 H new ATOM 0 HE22 GLN B 181 6.714 13.208 -2.346 1.00 22.08 H new ATOM 2757 N ALA B 182 9.108 7.809 -6.800 1.00 19.84 N ANISOU 2757 N ALA B 182 2443 2400 2694 54 -121 -140 N ATOM 2758 CA ALA B 182 8.850 6.400 -6.825 1.00 20.24 C ANISOU 2758 CA ALA B 182 2523 2430 2737 50 -98 -142 C ATOM 2759 C ALA B 182 9.569 5.639 -5.716 1.00 21.12 C ANISOU 2759 C ALA B 182 2639 2515 2871 80 -114 -123 C ATOM 2760 O ALA B 182 9.060 4.639 -5.223 1.00 20.62 O ANISOU 2760 O ALA B 182 2612 2432 2788 79 -103 -120 O ATOM 2761 CB ALA B 182 9.269 5.836 -8.177 1.00 20.10 C ANISOU 2761 CB ALA B 182 2521 2389 2725 32 -47 -157 C ATOM 0 H ALA B 182 9.596 8.090 -7.450 1.00 19.84 H new ATOM 0 HA ALA B 182 7.898 6.283 -6.678 1.00 20.24 H new ATOM 0 HB1 ALA B 182 9.096 4.882 -8.198 1.00 20.10 H new ATOM 0 HB2 ALA B 182 8.763 6.271 -8.880 1.00 20.10 H new ATOM 0 HB3 ALA B 182 10.216 5.995 -8.315 1.00 20.10 H new HETATM 2762 N MSE B 183 10.792 6.053 -5.381 1.00 22.78 N ANISOU 2762 N MSE B 183 2808 2720 3126 104 -145 -103 N HETATM 2763 CA MSE B 183 11.641 5.350 -4.408 1.00 23.38 C ANISOU 2763 CA MSE B 183 2871 2775 3237 132 -184 -61 C HETATM 2764 C MSE B 183 12.484 6.347 -3.578 1.00 24.58 C ANISOU 2764 C MSE B 183 2988 2951 3399 121 -262 -36 C HETATM 2765 O MSE B 183 12.602 7.507 -3.930 1.00 24.28 O ANISOU 2765 O MSE B 183 2932 2935 3356 99 -264 -58 O HETATM 2766 CB MSE B 183 12.577 4.397 -5.184 1.00 24.26 C ANISOU 2766 CB MSE B 183 2946 2842 3430 171 -127 -43 C HETATM 2767 CG MSE B 183 11.793 3.274 -5.877 1.00 30.48 C ANISOU 2767 CG MSE B 183 3797 3593 4190 162 -44 -69 C HETATM 2768 SE MSE B 183 13.126 2.265 -6.963 0.80 41.66 SE ANISOU 2768 SE MSE B 183 5184 4923 5721 207 73 -52 SE HETATM 2769 CE MSE B 183 14.003 1.591 -5.565 1.00 37.49 C ANISOU 2769 CE MSE B 183 4599 4372 5271 276 8 33 C HETATM 0 H MSE B 183 11.158 6.756 -5.714 1.00 22.78 H new HETATM 0 HA MSE B 183 11.079 4.854 -3.793 1.00 23.38 H new HETATM 0 HB2 MSE B 183 13.076 4.901 -5.846 1.00 24.26 H new HETATM 0 HB3 MSE B 183 13.225 4.011 -4.574 1.00 24.26 H new HETATM 0 HG2 MSE B 183 11.366 2.696 -5.226 1.00 30.48 H new HETATM 0 HG3 MSE B 183 11.090 3.636 -6.439 1.00 30.48 H new HETATM 0 HE1 MSE B 183 14.734 1.036 -5.878 1.00 37.49 H new HETATM 0 HE2 MSE B 183 14.356 2.315 -5.024 1.00 37.49 H new HETATM 0 HE3 MSE B 183 13.397 1.055 -5.030 1.00 37.49 H new ATOM 2770 N VAL B 184 12.945 5.864 -2.427 1.00 24.48 N ANISOU 2770 N VAL B 184 3223 2874 3203 58 -414 -348 N ATOM 2771 CA VAL B 184 13.990 6.553 -1.577 1.00 24.09 C ANISOU 2771 CA VAL B 184 3123 2805 3222 99 -470 -396 C ATOM 2772 C VAL B 184 15.165 5.605 -1.647 1.00 26.52 C ANISOU 2772 C VAL B 184 3444 3108 3524 152 -499 -420 C ATOM 2773 O VAL B 184 15.046 4.446 -1.215 1.00 25.70 O ANISOU 2773 O VAL B 184 3445 2990 3329 183 -519 -423 O ATOM 2774 CB VAL B 184 13.508 6.765 -0.185 1.00 24.83 C ANISOU 2774 CB VAL B 184 3261 2893 3277 116 -511 -427 C ATOM 2775 CG1 VAL B 184 14.547 7.423 0.684 1.00 26.83 C ANISOU 2775 CG1 VAL B 184 3466 3129 3597 164 -576 -484 C ATOM 2776 CG2 VAL B 184 12.276 7.707 -0.271 1.00 23.57 C ANISOU 2776 CG2 VAL B 184 3079 2756 3118 75 -483 -411 C ATOM 0 H VAL B 184 12.672 5.120 -2.093 1.00 24.48 H new ATOM 0 HA VAL B 184 14.215 7.444 -1.887 1.00 24.09 H new ATOM 0 HB VAL B 184 13.297 5.905 0.210 1.00 24.83 H new ATOM 0 HG11 VAL B 184 14.192 7.542 1.579 1.00 26.83 H new ATOM 0 HG12 VAL B 184 15.339 6.864 0.722 1.00 26.83 H new ATOM 0 HG13 VAL B 184 14.780 8.288 0.312 1.00 26.83 H new ATOM 0 HG21 VAL B 184 11.931 7.871 0.621 1.00 23.57 H new ATOM 0 HG22 VAL B 184 12.540 8.549 -0.675 1.00 23.57 H new ATOM 0 HG23 VAL B 184 11.587 7.291 -0.813 1.00 23.57 H new ATOM 2777 N VAL B 185 16.227 6.074 -2.277 1.00 27.66 N ANISOU 2777 N VAL B 185 3489 3265 3752 158 -494 -440 N ATOM 2778 CA VAL B 185 17.457 5.321 -2.485 1.00 28.85 C ANISOU 2778 CA VAL B 185 3616 3436 3908 217 -522 -482 C ATOM 2779 C VAL B 185 18.560 6.021 -1.713 1.00 30.39 C ANISOU 2779 C VAL B 185 3720 3647 4179 251 -578 -563 C ATOM 2780 O VAL B 185 18.893 7.159 -2.051 1.00 28.92 O ANISOU 2780 O VAL B 185 3433 3468 4085 193 -549 -572 O ATOM 2781 CB VAL B 185 17.789 5.218 -4.012 1.00 29.03 C ANISOU 2781 CB VAL B 185 3581 3485 3961 185 -456 -448 C ATOM 2782 CG1 VAL B 185 19.051 4.355 -4.277 1.00 32.29 C ANISOU 2782 CG1 VAL B 185 3961 3937 4368 259 -486 -504 C ATOM 2783 CG2 VAL B 185 16.614 4.586 -4.871 1.00 28.55 C ANISOU 2783 CG2 VAL B 185 3605 3412 3828 150 -402 -372 C ATOM 0 H VAL B 185 16.256 6.867 -2.608 1.00 27.66 H new ATOM 0 HA VAL B 185 17.363 4.411 -2.162 1.00 28.85 H new ATOM 0 HB VAL B 185 17.933 6.138 -4.284 1.00 29.03 H new ATOM 0 HG11 VAL B 185 19.222 4.316 -5.231 1.00 32.29 H new ATOM 0 HG12 VAL B 185 19.814 4.751 -3.828 1.00 32.29 H new ATOM 0 HG13 VAL B 185 18.907 3.458 -3.938 1.00 32.29 H new ATOM 0 HG21 VAL B 185 16.878 4.549 -5.804 1.00 28.55 H new ATOM 0 HG22 VAL B 185 16.427 3.689 -4.553 1.00 28.55 H new ATOM 0 HG23 VAL B 185 15.818 5.133 -4.783 1.00 28.55 H new ATOM 2784 N LYS B 186 19.095 5.355 -0.668 1.00 31.60 N ANISOU 2784 N LYS B 186 3921 3799 4286 344 -660 -626 N ATOM 2785 CA LYS B 186 20.129 5.887 0.170 1.00 34.12 C ANISOU 2785 CA LYS B 186 4156 4142 4665 394 -729 -721 C ATOM 2786 C LYS B 186 19.702 7.281 0.682 1.00 35.04 C ANISOU 2786 C LYS B 186 4225 4236 4852 326 -722 -718 C ATOM 2787 O LYS B 186 20.448 8.232 0.508 1.00 35.76 O ANISOU 2787 O LYS B 186 4195 4349 5042 285 -715 -763 O ATOM 2788 CB LYS B 186 21.421 5.966 -0.638 1.00 35.43 C ANISOU 2788 CB LYS B 186 4181 4375 4904 399 -717 -782 C ATOM 0 H LYS B 186 18.844 4.564 -0.441 1.00 31.60 H new ATOM 0 HA LYS B 186 20.277 5.315 0.939 1.00 34.12 H new ATOM 2789 N ARG B 187 18.488 7.352 1.248 1.00 34.18 N ANISOU 2789 N ARG B 187 4216 4087 4683 310 -717 -667 N ATOM 2790 CA ARG B 187 17.926 8.552 1.885 1.00 35.24 C ANISOU 2790 CA ARG B 187 4333 4197 4857 272 -725 -667 C ATOM 2791 C ARG B 187 17.763 9.755 0.916 1.00 35.20 C ANISOU 2791 C ARG B 187 4249 4183 4939 179 -661 -632 C ATOM 2792 O ARG B 187 17.473 10.889 1.409 1.00 34.99 O ANISOU 2792 O ARG B 187 4208 4131 4955 154 -677 -644 O ATOM 2793 CB ARG B 187 18.640 8.954 3.204 1.00 37.28 C ANISOU 2793 CB ARG B 187 4566 4454 5142 336 -815 -757 C ATOM 2794 CG ARG B 187 18.508 7.944 4.382 1.00 40.18 C ANISOU 2794 CG ARG B 187 5058 4809 5399 436 -883 -783 C ATOM 2795 CD ARG B 187 19.141 8.456 5.767 1.00 44.35 C ANISOU 2795 CD ARG B 187 5568 5334 5948 513 -983 -877 C ATOM 2796 NE ARG B 187 18.891 7.432 6.796 1.00 46.97 N ANISOU 2796 NE ARG B 187 6055 5640 6151 607 -1036 -887 N ATOM 2797 CZ ARG B 187 17.743 7.292 7.478 1.00 48.70 C ANISOU 2797 CZ ARG B 187 6396 5828 6279 591 -1018 -840 C ATOM 2798 NH1 ARG B 187 17.621 6.276 8.350 1.00 46.87 N ANISOU 2798 NH1 ARG B 187 6327 5563 5918 668 -1057 -848 N ATOM 2799 NH2 ARG B 187 16.748 8.217 7.379 1.00 45.99 N ANISOU 2799 NH2 ARG B 187 6020 5487 5966 507 -965 -796 N ATOM 0 H ARG B 187 17.952 6.680 1.272 1.00 34.18 H new ATOM 0 HA ARG B 187 17.028 8.287 2.138 1.00 35.24 H new ATOM 0 HB2 ARG B 187 19.583 9.083 3.015 1.00 37.28 H new ATOM 0 HB3 ARG B 187 18.289 9.811 3.494 1.00 37.28 H new ATOM 0 HG2 ARG B 187 17.568 7.747 4.521 1.00 40.18 H new ATOM 0 HG3 ARG B 187 18.938 7.112 4.130 1.00 40.18 H new ATOM 0 HD2 ARG B 187 20.094 8.609 5.667 1.00 44.35 H new ATOM 0 HD3 ARG B 187 18.744 9.302 6.028 1.00 44.35 H new ATOM 0 HE ARG B 187 19.528 6.882 6.973 1.00 46.97 H new ATOM 0 HH11 ARG B 187 18.273 5.727 8.465 1.00 46.87 H new ATOM 0 HH12 ARG B 187 16.891 6.175 8.793 1.00 46.87 H new ATOM 0 HH21 ARG B 187 16.849 8.905 6.873 1.00 45.99 H new ATOM 0 HH22 ARG B 187 16.018 8.113 7.822 1.00 45.99 H new ATOM 2800 N ARG B 188 17.880 9.506 -0.419 1.00 33.41 N ANISOU 2800 N ARG B 188 3997 3971 4726 135 -592 -587 N ATOM 2801 CA ARG B 188 17.602 10.543 -1.467 1.00 32.78 C ANISOU 2801 CA ARG B 188 3885 3870 4701 51 -523 -539 C ATOM 2802 C ARG B 188 16.371 10.206 -2.335 1.00 29.89 C ANISOU 2802 C ARG B 188 3589 3499 4269 33 -467 -457 C ATOM 2803 O ARG B 188 16.041 9.036 -2.525 1.00 28.02 O ANISOU 2803 O ARG B 188 3400 3284 3960 60 -460 -435 O ATOM 2804 CB ARG B 188 18.745 10.736 -2.400 1.00 34.58 C ANISOU 2804 CB ARG B 188 4022 4118 4999 4 -479 -558 C ATOM 2805 CG ARG B 188 19.939 11.414 -1.721 1.00 40.08 C ANISOU 2805 CG ARG B 188 4620 4827 5780 -8 -520 -652 C ATOM 2806 CD ARG B 188 20.915 11.887 -2.792 1.00 46.38 C ANISOU 2806 CD ARG B 188 5324 5646 6650 -96 -447 -668 C ATOM 2807 NE ARG B 188 21.876 12.767 -2.149 1.00 51.80 N ANISOU 2807 NE ARG B 188 5918 6340 7423 -139 -477 -761 N ATOM 2808 CZ ARG B 188 22.901 12.333 -1.438 1.00 56.65 C ANISOU 2808 CZ ARG B 188 6439 7022 8062 -84 -540 -869 C ATOM 2809 NH1 ARG B 188 23.150 11.032 -1.329 1.00 56.31 N ANISOU 2809 NH1 ARG B 188 6397 7038 7959 21 -580 -894 N ATOM 2810 NH2 ARG B 188 23.700 13.216 -0.859 1.00 59.62 N ANISOU 2810 NH2 ARG B 188 6725 7406 8519 -133 -567 -961 N ATOM 0 H ARG B 188 18.119 8.744 -0.739 1.00 33.41 H new ATOM 0 HA ARG B 188 17.440 11.352 -0.958 1.00 32.78 H new ATOM 0 HB2 ARG B 188 19.021 9.876 -2.752 1.00 34.58 H new ATOM 0 HB3 ARG B 188 18.457 11.273 -3.155 1.00 34.58 H new ATOM 0 HG2 ARG B 188 19.638 12.165 -1.186 1.00 40.08 H new ATOM 0 HG3 ARG B 188 20.378 10.794 -1.118 1.00 40.08 H new ATOM 0 HD2 ARG B 188 21.365 11.131 -3.201 1.00 46.38 H new ATOM 0 HD3 ARG B 188 20.445 12.355 -3.500 1.00 46.38 H new ATOM 0 HE ARG B 188 21.772 13.616 -2.236 1.00 51.80 H new ATOM 0 HH11 ARG B 188 22.641 10.462 -1.724 1.00 56.31 H new ATOM 0 HH12 ARG B 188 23.820 10.760 -0.864 1.00 56.31 H new ATOM 0 HH21 ARG B 188 23.548 14.058 -0.949 1.00 59.62 H new ATOM 0 HH22 ARG B 188 24.371 12.948 -0.393 1.00 59.62 H new ATOM 2811 N ASN B 189 15.724 11.236 -2.876 1.00 27.70 N ANISOU 2811 N ASN B 189 3324 3190 4010 -9 -433 -419 N ATOM 2812 CA ASN B 189 14.629 11.008 -3.793 1.00 27.62 C ANISOU 2812 CA ASN B 189 3366 3187 3941 -17 -386 -357 C ATOM 2813 C ASN B 189 15.040 10.284 -5.089 1.00 27.14 C ANISOU 2813 C ASN B 189 3294 3144 3874 -34 -328 -320 C ATOM 2814 O ASN B 189 16.062 10.615 -5.687 1.00 26.74 O ANISOU 2814 O ASN B 189 3191 3086 3883 -69 -296 -326 O ATOM 2815 CB ASN B 189 13.987 12.313 -4.224 1.00 26.98 C ANISOU 2815 CB ASN B 189 3310 3064 3876 -38 -371 -333 C ATOM 2816 CG ASN B 189 12.738 12.064 -5.116 1.00 26.40 C ANISOU 2816 CG ASN B 189 3287 3013 3730 -23 -337 -286 C ATOM 2817 OD1 ASN B 189 11.756 11.462 -4.688 1.00 24.36 O ANISOU 2817 OD1 ASN B 189 3050 2800 3404 2 -353 -293 O ATOM 2818 ND2 ASN B 189 12.825 12.448 -6.352 1.00 26.86 N ANISOU 2818 ND2 ASN B 189 3362 3044 3798 -45 -288 -244 N ATOM 0 H ASN B 189 15.906 12.063 -2.723 1.00 27.70 H new ATOM 0 HA ASN B 189 14.016 10.449 -3.291 1.00 27.62 H new ATOM 0 HB2 ASN B 189 13.730 12.823 -3.440 1.00 26.98 H new ATOM 0 HB3 ASN B 189 14.633 12.848 -4.711 1.00 26.98 H new ATOM 0 HD21 ASN B 189 12.183 12.283 -6.900 1.00 26.86 H new ATOM 0 HD22 ASN B 189 13.525 12.868 -6.624 1.00 26.86 H new ATOM 2819 N ARG B 190 14.188 9.397 -5.566 1.00 24.99 N ANISOU 2819 N ARG B 190 3069 2899 3527 -20 -307 -285 N ATOM 2820 CA ARG B 190 14.323 8.867 -6.897 1.00 24.32 C ANISOU 2820 CA ARG B 190 2985 2827 3428 -31 -253 -245 C ATOM 2821 C ARG B 190 13.035 9.004 -7.722 1.00 23.44 C ANISOU 2821 C ARG B 190 2922 2720 3262 -33 -223 -202 C ATOM 2822 O ARG B 190 12.028 8.519 -7.343 1.00 23.61 O ANISOU 2822 O ARG B 190 2977 2772 3221 -21 -239 -208 O ATOM 2823 CB ARG B 190 14.719 7.381 -6.889 1.00 23.03 C ANISOU 2823 CB ARG B 190 2842 2695 3213 0 -264 -255 C ATOM 2824 CG ARG B 190 14.481 6.731 -8.244 1.00 24.44 C ANISOU 2824 CG ARG B 190 3035 2888 3360 -5 -209 -209 C ATOM 2825 CD ARG B 190 15.132 5.401 -8.420 1.00 28.89 C ANISOU 2825 CD ARG B 190 3619 3472 3882 32 -221 -222 C ATOM 2826 NE ARG B 190 14.589 4.673 -9.531 1.00 25.16 N ANISOU 2826 NE ARG B 190 3187 3013 3359 30 -181 -181 N ATOM 2827 CZ ARG B 190 15.121 3.612 -10.098 1.00 26.00 C ANISOU 2827 CZ ARG B 190 3312 3134 3433 63 -177 -182 C ATOM 2828 NH1 ARG B 190 14.503 3.044 -11.099 1.00 27.66 N ANISOU 2828 NH1 ARG B 190 3565 3351 3592 56 -144 -144 N ATOM 2829 NH2 ARG B 190 16.252 3.112 -9.670 1.00 25.72 N ANISOU 2829 NH2 ARG B 190 3252 3111 3409 112 -212 -227 N ATOM 0 H ARG B 190 13.517 9.088 -5.125 1.00 24.99 H new ATOM 0 HA ARG B 190 15.025 9.396 -7.306 1.00 24.32 H new ATOM 0 HB2 ARG B 190 15.655 7.296 -6.648 1.00 23.03 H new ATOM 0 HB3 ARG B 190 14.208 6.913 -6.210 1.00 23.03 H new ATOM 0 HG2 ARG B 190 13.526 6.630 -8.377 1.00 24.44 H new ATOM 0 HG3 ARG B 190 14.802 7.329 -8.937 1.00 24.44 H new ATOM 0 HD2 ARG B 190 16.085 5.524 -8.551 1.00 28.89 H new ATOM 0 HD3 ARG B 190 15.022 4.880 -7.609 1.00 28.89 H new ATOM 0 HE ARG B 190 13.846 4.957 -9.857 1.00 25.16 H new ATOM 0 HH11 ARG B 190 13.756 3.364 -11.381 1.00 27.66 H new ATOM 0 HH12 ARG B 190 14.843 2.350 -11.476 1.00 27.66 H new ATOM 0 HH21 ARG B 190 16.660 3.478 -9.007 1.00 25.72 H new ATOM 0 HH22 ARG B 190 16.587 2.418 -10.051 1.00 25.72 H new ATOM 2830 N ASP B 191 13.118 9.679 -8.838 1.00 23.98 N ANISOU 2830 N ASP B 191 2995 2764 3349 -50 -177 -166 N ATOM 2831 CA ASP B 191 12.091 9.595 -9.858 1.00 25.31 C ANISOU 2831 CA ASP B 191 3209 2947 3459 -33 -150 -130 C ATOM 2832 C ASP B 191 12.508 8.550 -10.884 1.00 25.04 C ANISOU 2832 C ASP B 191 3174 2936 3404 -34 -109 -103 C ATOM 2833 O ASP B 191 13.662 8.504 -11.302 1.00 25.95 O ANISOU 2833 O ASP B 191 3256 3041 3562 -54 -77 -97 O ATOM 2834 CB ASP B 191 11.881 10.940 -10.566 1.00 23.89 C ANISOU 2834 CB ASP B 191 3068 2715 3293 -33 -130 -104 C ATOM 2835 CG ASP B 191 11.471 12.102 -9.609 1.00 25.43 C ANISOU 2835 CG ASP B 191 3280 2877 3506 -20 -179 -134 C ATOM 2836 OD1 ASP B 191 10.942 11.924 -8.506 1.00 23.72 O ANISOU 2836 OD1 ASP B 191 3044 2693 3273 0 -227 -174 O ATOM 2837 OD2 ASP B 191 11.758 13.246 -10.026 1.00 26.77 O ANISOU 2837 OD2 ASP B 191 3493 2975 3701 -33 -164 -116 O ATOM 0 H ASP B 191 13.771 10.203 -9.034 1.00 23.98 H new ATOM 0 HA ASP B 191 11.255 9.350 -9.431 1.00 25.31 H new ATOM 0 HB2 ASP B 191 12.700 11.185 -11.025 1.00 23.89 H new ATOM 0 HB3 ASP B 191 11.196 10.835 -11.244 1.00 23.89 H new ATOM 2838 N THR B 192 11.591 7.673 -11.307 1.00 23.29 N ANISOU 2838 N THR B 192 2983 2754 3112 -17 -107 -95 N ATOM 2839 CA THR B 192 11.958 6.597 -12.213 1.00 22.19 C ANISOU 2839 CA THR B 192 2852 2633 2945 -11 -76 -74 C ATOM 2840 C THR B 192 11.486 6.949 -13.604 1.00 22.27 C ANISOU 2840 C THR B 192 2891 2641 2929 3 -37 -37 C ATOM 2841 O THR B 192 10.283 7.069 -13.827 1.00 21.49 O ANISOU 2841 O THR B 192 2818 2566 2781 24 -50 -43 O ATOM 2842 CB THR B 192 11.349 5.269 -11.747 1.00 22.62 C ANISOU 2842 CB THR B 192 2937 2721 2934 -11 -101 -95 C ATOM 2843 OG1 THR B 192 11.931 4.913 -10.496 1.00 22.59 O ANISOU 2843 OG1 THR B 192 2931 2706 2944 -13 -138 -126 O ATOM 2844 CG2 THR B 192 11.501 4.150 -12.739 1.00 21.23 C ANISOU 2844 CG2 THR B 192 2791 2559 2716 0 -77 -76 C ATOM 0 H THR B 192 10.762 7.688 -11.080 1.00 23.29 H new ATOM 0 HA THR B 192 12.922 6.490 -12.219 1.00 22.19 H new ATOM 0 HB THR B 192 10.393 5.404 -11.656 1.00 22.62 H new ATOM 0 HG1 THR B 192 11.536 4.240 -10.184 1.00 22.59 H new ATOM 0 HG21 THR B 192 11.096 3.344 -12.382 1.00 21.23 H new ATOM 0 HG22 THR B 192 11.062 4.392 -13.570 1.00 21.23 H new ATOM 0 HG23 THR B 192 12.443 3.991 -12.906 1.00 21.23 H new ATOM 2845 N HIS B 193 12.414 7.026 -14.563 1.00 22.25 N ANISOU 2845 N HIS B 193 2882 2620 2949 -1 11 -6 N ATOM 2846 CA HIS B 193 11.992 7.111 -15.960 1.00 23.34 C ANISOU 2846 CA HIS B 193 3066 2757 3045 23 50 31 C ATOM 2847 C HIS B 193 11.557 5.685 -16.409 1.00 23.06 C ANISOU 2847 C HIS B 193 3042 2769 2949 46 42 26 C ATOM 2848 O HIS B 193 12.279 4.725 -16.157 1.00 24.15 O ANISOU 2848 O HIS B 193 3162 2922 3093 41 38 15 O ATOM 2849 CB HIS B 193 13.109 7.578 -16.850 1.00 22.77 C ANISOU 2849 CB HIS B 193 2990 2655 3004 0 115 65 C ATOM 2850 CG HIS B 193 13.445 9.021 -16.692 1.00 26.54 C ANISOU 2850 CG HIS B 193 3486 3071 3526 -36 137 76 C ATOM 2851 ND1 HIS B 193 12.493 9.981 -16.361 1.00 25.80 N ANISOU 2851 ND1 HIS B 193 3447 2940 3416 -14 100 74 N ATOM 2852 CD2 HIS B 193 14.599 9.685 -16.945 1.00 24.77 C ANISOU 2852 CD2 HIS B 193 3245 2814 3352 -97 195 86 C ATOM 2853 CE1 HIS B 193 13.103 11.156 -16.313 1.00 24.33 C ANISOU 2853 CE1 HIS B 193 3288 2684 3270 -60 129 87 C ATOM 2854 NE2 HIS B 193 14.367 11.002 -16.709 1.00 23.18 N ANISOU 2854 NE2 HIS B 193 3100 2541 3165 -121 194 95 N ATOM 0 H HIS B 193 13.264 7.030 -14.431 1.00 22.25 H new ATOM 0 HA HIS B 193 11.266 7.750 -16.032 1.00 23.34 H new ATOM 0 HB2 HIS B 193 13.901 7.049 -16.665 1.00 22.77 H new ATOM 0 HB3 HIS B 193 12.866 7.411 -17.774 1.00 22.77 H new ATOM 0 HD2 HIS B 193 15.401 9.309 -17.228 1.00 24.77 H new ATOM 0 HE1 HIS B 193 12.713 11.957 -16.047 1.00 24.33 H new ATOM 0 HE2 HIS B 193 14.942 11.635 -16.800 1.00 23.18 H new ATOM 2855 N VAL B 194 10.420 5.591 -17.074 1.00 22.72 N ANISOU 2855 N VAL B 194 3035 2748 2846 76 36 28 N ATOM 2856 CA VAL B 194 9.930 4.304 -17.620 1.00 21.01 C ANISOU 2856 CA VAL B 194 2838 2572 2570 88 31 19 C ATOM 2857 C VAL B 194 9.933 4.340 -19.158 1.00 22.15 C ANISOU 2857 C VAL B 194 3018 2715 2681 131 67 54 C ATOM 2858 O VAL B 194 9.328 5.244 -19.795 1.00 20.98 O ANISOU 2858 O VAL B 194 2902 2558 2511 168 72 65 O ATOM 2859 CB VAL B 194 8.519 4.011 -17.099 1.00 21.39 C ANISOU 2859 CB VAL B 194 2887 2669 2570 78 -7 -28 C ATOM 2860 CG1 VAL B 194 7.936 2.705 -17.797 1.00 20.94 C ANISOU 2860 CG1 VAL B 194 2857 2651 2446 75 -7 -44 C ATOM 2861 CG2 VAL B 194 8.464 3.968 -15.518 1.00 22.20 C ANISOU 2861 CG2 VAL B 194 2967 2774 2694 32 -38 -62 C ATOM 0 H VAL B 194 9.902 6.259 -17.229 1.00 22.72 H new ATOM 0 HA VAL B 194 10.524 3.596 -17.326 1.00 21.01 H new ATOM 0 HB VAL B 194 7.937 4.747 -17.346 1.00 21.39 H new ATOM 0 HG11 VAL B 194 7.044 2.529 -17.460 1.00 20.94 H new ATOM 0 HG12 VAL B 194 7.898 2.840 -18.757 1.00 20.94 H new ATOM 0 HG13 VAL B 194 8.510 1.949 -17.600 1.00 20.94 H new ATOM 0 HG21 VAL B 194 7.557 3.781 -15.231 1.00 22.20 H new ATOM 0 HG22 VAL B 194 9.056 3.272 -15.192 1.00 22.20 H new ATOM 0 HG23 VAL B 194 8.745 4.825 -15.161 1.00 22.20 H new ATOM 2862 N PHE B 195 10.634 3.387 -19.767 1.00 23.77 N ANISOU 2862 N PHE B 195 3230 2928 2875 138 90 69 N ATOM 2863 CA PHE B 195 10.710 3.248 -21.224 1.00 23.44 C ANISOU 2863 CA PHE B 195 3223 2888 2792 182 126 100 C ATOM 2864 C PHE B 195 10.212 1.813 -21.592 1.00 25.05 C ANISOU 2864 C PHE B 195 3450 3128 2937 197 101 77 C ATOM 2865 O PHE B 195 10.258 0.899 -20.776 1.00 23.20 O ANISOU 2865 O PHE B 195 3214 2900 2699 166 71 49 O ATOM 2866 CB PHE B 195 12.117 3.378 -21.789 1.00 23.60 C ANISOU 2866 CB PHE B 195 3229 2893 2844 180 185 134 C ATOM 2867 CG PHE B 195 12.868 4.606 -21.405 1.00 24.55 C ANISOU 2867 CG PHE B 195 3325 2976 3027 138 221 150 C ATOM 2868 CD1 PHE B 195 13.127 5.588 -22.346 1.00 27.59 C ANISOU 2868 CD1 PHE B 195 3754 3324 3404 137 283 192 C ATOM 2869 CD2 PHE B 195 13.462 4.708 -20.153 1.00 26.85 C ANISOU 2869 CD2 PHE B 195 3557 3266 3380 96 199 120 C ATOM 2870 CE1 PHE B 195 13.883 6.709 -21.979 1.00 28.95 C ANISOU 2870 CE1 PHE B 195 3913 3452 3632 77 323 203 C ATOM 2871 CE2 PHE B 195 14.190 5.796 -19.800 1.00 25.41 C ANISOU 2871 CE2 PHE B 195 3345 3050 3256 49 231 124 C ATOM 2872 CZ PHE B 195 14.419 6.800 -20.718 1.00 27.23 C ANISOU 2872 CZ PHE B 195 3621 3241 3482 30 297 166 C ATOM 0 H PHE B 195 11.087 2.793 -19.341 1.00 23.77 H new ATOM 0 HA PHE B 195 10.173 3.963 -21.599 1.00 23.44 H new ATOM 0 HB2 PHE B 195 12.631 2.605 -21.507 1.00 23.60 H new ATOM 0 HB3 PHE B 195 12.061 3.345 -22.757 1.00 23.60 H new ATOM 0 HD1 PHE B 195 12.802 5.504 -23.213 1.00 27.59 H new ATOM 0 HD2 PHE B 195 13.358 4.014 -19.543 1.00 26.85 H new ATOM 0 HE1 PHE B 195 14.022 7.394 -22.592 1.00 28.95 H new ATOM 0 HE2 PHE B 195 14.535 5.865 -18.939 1.00 25.41 H new ATOM 0 HZ PHE B 195 14.935 7.537 -20.483 1.00 27.23 H new ATOM 2873 N SER B 196 9.695 1.642 -22.799 1.00 24.81 N ANISOU 2873 N SER B 196 3457 3114 2854 243 110 86 N ATOM 2874 CA SER B 196 9.244 0.339 -23.219 1.00 24.49 C ANISOU 2874 CA SER B 196 3444 3102 2758 252 87 61 C ATOM 2875 C SER B 196 9.461 0.125 -24.684 1.00 24.97 C ANISOU 2875 C SER B 196 3543 3167 2777 315 115 89 C ATOM 2876 O SER B 196 9.564 1.085 -25.468 1.00 25.37 O ANISOU 2876 O SER B 196 3612 3204 2824 356 149 123 O ATOM 2877 CB SER B 196 7.745 0.124 -22.915 1.00 24.24 C ANISOU 2877 CB SER B 196 3411 3114 2686 229 44 4 C ATOM 2878 OG SER B 196 6.949 0.927 -23.795 1.00 26.99 O ANISOU 2878 OG SER B 196 3765 3486 3003 290 40 -2 O ATOM 0 H SER B 196 9.599 2.266 -23.383 1.00 24.81 H new ATOM 0 HA SER B 196 9.771 -0.300 -22.714 1.00 24.49 H new ATOM 0 HB2 SER B 196 7.516 -0.812 -23.023 1.00 24.24 H new ATOM 0 HB3 SER B 196 7.557 0.358 -21.992 1.00 24.24 H new ATOM 0 HG SER B 196 6.186 1.038 -23.461 1.00 26.99 H new HETATM 2879 N MSE B 197 9.598 -1.140 -25.046 1.00 25.73 N ANISOU 2879 N MSE B 197 3667 3274 2835 326 102 76 N HETATM 2880 CA MSE B 197 9.505 -1.558 -26.477 1.00 26.17 C ANISOU 2880 CA MSE B 197 3765 3343 2833 392 114 88 C HETATM 2881 C MSE B 197 8.360 -2.533 -26.579 1.00 28.27 C ANISOU 2881 C MSE B 197 4058 3637 3044 378 64 33 C HETATM 2882 O MSE B 197 8.243 -3.481 -25.761 1.00 26.96 O ANISOU 2882 O MSE B 197 3906 3463 2872 319 34 1 O HETATM 2883 CB MSE B 197 10.805 -2.279 -26.906 1.00 27.50 C ANISOU 2883 CB MSE B 197 3943 3504 2999 423 141 111 C HETATM 2884 CG MSE B 197 10.880 -2.563 -28.433 1.00 30.12 C ANISOU 2884 CG MSE B 197 4319 3851 3272 500 165 131 C HETATM 2885 SE MSE B 197 12.653 -3.234 -28.892 0.80 37.24 SE ANISOU 2885 SE MSE B 197 5207 4767 4176 545 209 149 SE HETATM 2886 CE MSE B 197 13.638 -1.516 -28.843 1.00 41.49 C ANISOU 2886 CE MSE B 197 5681 5301 4782 507 304 197 C HETATM 0 H MSE B 197 9.745 -1.784 -24.496 1.00 25.73 H new HETATM 0 HA MSE B 197 9.372 -0.784 -27.047 1.00 26.17 H new HETATM 0 HB2 MSE B 197 11.567 -1.738 -26.647 1.00 27.50 H new HETATM 0 HB3 MSE B 197 10.876 -3.118 -26.424 1.00 27.50 H new HETATM 0 HG2 MSE B 197 10.204 -3.212 -28.684 1.00 30.12 H new HETATM 0 HG3 MSE B 197 10.693 -1.752 -28.931 1.00 30.12 H new HETATM 0 HE1 MSE B 197 14.571 -1.672 -29.056 1.00 41.49 H new HETATM 0 HE2 MSE B 197 13.256 -0.905 -29.493 1.00 41.49 H new HETATM 0 HE3 MSE B 197 13.569 -1.129 -27.956 1.00 41.49 H new ATOM 2887 N LEU B 198 7.513 -2.349 -27.594 1.00 28.31 N ANISOU 2887 N LEU B 198 4081 3673 3001 431 53 17 N ATOM 2888 CA LEU B 198 6.459 -3.270 -27.820 1.00 28.91 C ANISOU 2888 CA LEU B 198 4172 3786 3024 413 10 -46 C ATOM 2889 C LEU B 198 6.886 -4.338 -28.856 1.00 29.05 C ANISOU 2889 C LEU B 198 4249 3793 2993 461 8 -37 C ATOM 2890 O LEU B 198 7.856 -4.135 -29.562 1.00 29.83 O ANISOU 2890 O LEU B 198 4367 3872 3093 526 45 16 O ATOM 2891 CB LEU B 198 5.240 -2.528 -28.273 1.00 30.93 C ANISOU 2891 CB LEU B 198 4402 4097 3251 453 -15 -93 C ATOM 2892 CG LEU B 198 4.844 -1.341 -27.402 1.00 28.49 C ANISOU 2892 CG LEU B 198 4043 3799 2980 435 -18 -103 C ATOM 2893 CD1 LEU B 198 3.664 -0.695 -27.984 1.00 29.47 C ANISOU 2893 CD1 LEU B 198 4152 3985 3060 505 -56 -161 C ATOM 2894 CD2 LEU B 198 4.538 -1.900 -25.946 1.00 28.76 C ANISOU 2894 CD2 LEU B 198 4037 3847 3042 314 -32 -145 C ATOM 0 H LEU B 198 7.549 -1.693 -28.149 1.00 28.31 H new ATOM 0 HA LEU B 198 6.250 -3.733 -26.994 1.00 28.91 H new ATOM 0 HB2 LEU B 198 5.389 -2.212 -29.178 1.00 30.93 H new ATOM 0 HB3 LEU B 198 4.495 -3.148 -28.308 1.00 30.93 H new ATOM 0 HG LEU B 198 5.552 -0.680 -27.352 1.00 28.49 H new ATOM 0 HD11 LEU B 198 3.405 0.062 -27.435 1.00 29.47 H new ATOM 0 HD12 LEU B 198 3.872 -0.388 -28.880 1.00 29.47 H new ATOM 0 HD13 LEU B 198 2.933 -1.331 -28.022 1.00 29.47 H new ATOM 0 HD21 LEU B 198 4.282 -1.167 -25.365 1.00 28.76 H new ATOM 0 HD22 LEU B 198 3.814 -2.544 -25.992 1.00 28.76 H new ATOM 0 HD23 LEU B 198 5.331 -2.331 -25.591 1.00 28.76 H new ATOM 2895 N ASP B 199 6.205 -5.474 -28.906 1.00 31.03 N ANISOU 2895 N ASP B 199 4531 4059 3200 421 -29 -94 N ATOM 2896 CA ASP B 199 6.534 -6.514 -29.875 1.00 33.14 C ANISOU 2896 CA ASP B 199 4865 4312 3415 471 -40 -93 C ATOM 2897 C ASP B 199 6.416 -5.969 -31.338 1.00 34.08 C ANISOU 2897 C ASP B 199 4990 4459 3497 586 -30 -76 C ATOM 2898 O ASP B 199 7.288 -6.268 -32.182 1.00 35.61 O ANISOU 2898 O ASP B 199 5226 4634 3668 660 -8 -35 O ATOM 2899 CB ASP B 199 5.698 -7.798 -29.708 1.00 34.40 C ANISOU 2899 CB ASP B 199 5072 4473 3525 394 -84 -164 C ATOM 2900 CG ASP B 199 4.157 -7.538 -29.550 1.00 37.13 C ANISOU 2900 CG ASP B 199 5359 4891 3856 330 -108 -249 C ATOM 2901 OD1 ASP B 199 3.503 -8.574 -29.351 1.00 42.18 O ANISOU 2901 OD1 ASP B 199 6035 5534 4458 240 -132 -313 O ATOM 2902 OD2 ASP B 199 3.616 -6.380 -29.693 1.00 34.68 O ANISOU 2902 OD2 ASP B 199 4977 4636 3564 373 -106 -261 O ATOM 0 H ASP B 199 5.546 -5.665 -28.387 1.00 31.03 H new ATOM 0 HA ASP B 199 7.455 -6.763 -29.698 1.00 33.14 H new ATOM 0 HB2 ASP B 199 5.843 -8.370 -30.478 1.00 34.40 H new ATOM 0 HB3 ASP B 199 6.017 -8.282 -28.930 1.00 34.40 H new ATOM 2903 N GLY B 200 5.444 -5.088 -31.612 1.00 34.19 N ANISOU 2903 N GLY B 200 4969 4519 3502 613 -44 -107 N ATOM 2904 CA GLY B 200 5.385 -4.492 -32.985 1.00 35.15 C ANISOU 2904 CA GLY B 200 5124 4654 3577 738 -36 -87 C ATOM 2905 C GLY B 200 6.593 -3.616 -33.291 1.00 34.72 C ANISOU 2905 C GLY B 200 5093 4552 3543 787 32 6 C ATOM 2906 O GLY B 200 7.046 -3.530 -34.471 1.00 35.09 O ANISOU 2906 O GLY B 200 5197 4592 3544 877 61 45 O ATOM 0 H GLY B 200 4.837 -4.826 -31.062 1.00 34.19 H new ATOM 0 HA2 GLY B 200 5.330 -5.204 -33.642 1.00 35.15 H new ATOM 0 HA3 GLY B 200 4.576 -3.964 -33.071 1.00 35.15 H new ATOM 2907 N GLU B 201 7.150 -3.000 -32.236 1.00 32.97 N ANISOU 2907 N GLU B 201 4832 4304 3390 721 64 40 N ATOM 2908 CA GLU B 201 8.321 -2.170 -32.350 1.00 32.91 C ANISOU 2908 CA GLU B 201 4832 4258 3413 734 136 116 C ATOM 2909 C GLU B 201 9.594 -2.969 -32.590 1.00 34.17 C ANISOU 2909 C GLU B 201 4996 4410 3577 737 174 147 C ATOM 2910 O GLU B 201 10.474 -2.529 -33.371 1.00 34.93 O ANISOU 2910 O GLU B 201 5113 4498 3658 779 242 198 O ATOM 2911 CB GLU B 201 8.461 -1.169 -31.176 1.00 32.19 C ANISOU 2911 CB GLU B 201 4694 4143 3391 665 152 130 C ATOM 2912 CG GLU B 201 7.349 -0.117 -31.140 1.00 32.38 C ANISOU 2912 CG GLU B 201 4728 4174 3399 695 120 106 C ATOM 2913 CD GLU B 201 7.340 0.788 -29.902 1.00 35.68 C ANISOU 2913 CD GLU B 201 5102 4573 3881 631 121 107 C ATOM 2914 OE1 GLU B 201 7.704 0.270 -28.813 1.00 28.94 O ANISOU 2914 OE1 GLU B 201 4192 3720 3081 548 116 96 O ATOM 2915 OE2 GLU B 201 6.875 1.977 -29.986 1.00 32.72 O ANISOU 2915 OE2 GLU B 201 4759 4179 3493 673 115 112 O ATOM 0 H GLU B 201 6.844 -3.063 -31.435 1.00 32.97 H new ATOM 0 HA GLU B 201 8.188 -1.635 -33.148 1.00 32.91 H new ATOM 0 HB2 GLU B 201 8.460 -1.660 -30.339 1.00 32.19 H new ATOM 0 HB3 GLU B 201 9.319 -0.721 -31.242 1.00 32.19 H new ATOM 0 HG2 GLU B 201 7.427 0.441 -31.929 1.00 32.38 H new ATOM 0 HG3 GLU B 201 6.493 -0.571 -31.197 1.00 32.38 H new ATOM 2916 N TRP B 202 9.641 -4.179 -32.009 1.00 34.28 N ANISOU 2916 N TRP B 202 5000 4427 3595 699 131 109 N ATOM 2917 CA TRP B 202 10.765 -5.049 -32.121 1.00 34.70 C ANISOU 2917 CA TRP B 202 5061 4478 3643 720 145 119 C ATOM 2918 C TRP B 202 10.881 -5.501 -33.581 1.00 36.75 C ANISOU 2918 C TRP B 202 5375 4756 3830 816 156 127 C ATOM 2919 O TRP B 202 11.958 -5.394 -34.217 1.00 34.69 O ANISOU 2919 O TRP B 202 5110 4509 3558 864 215 162 O ATOM 2920 CB TRP B 202 10.586 -6.248 -31.181 1.00 34.60 C ANISOU 2920 CB TRP B 202 5066 4448 3630 669 82 71 C ATOM 2921 CG TRP B 202 11.455 -7.358 -31.487 1.00 33.94 C ANISOU 2921 CG TRP B 202 5024 4359 3511 722 68 64 C ATOM 2922 CD1 TRP B 202 11.067 -8.505 -32.068 1.00 34.10 C ANISOU 2922 CD1 TRP B 202 5120 4369 3464 755 21 31 C ATOM 2923 CD2 TRP B 202 12.877 -7.479 -31.244 1.00 34.73 C ANISOU 2923 CD2 TRP B 202 5093 4469 3633 756 95 76 C ATOM 2924 NE1 TRP B 202 12.144 -9.337 -32.241 1.00 36.46 N ANISOU 2924 NE1 TRP B 202 5451 4664 3736 821 12 28 N ATOM 2925 CE2 TRP B 202 13.261 -8.743 -31.716 1.00 34.68 C ANISOU 2925 CE2 TRP B 202 5153 4458 3564 826 55 49 C ATOM 2926 CE3 TRP B 202 13.856 -6.632 -30.700 1.00 35.04 C ANISOU 2926 CE3 TRP B 202 5050 4527 3736 737 146 96 C ATOM 2927 CZ2 TRP B 202 14.574 -9.167 -31.722 1.00 38.84 C ANISOU 2927 CZ2 TRP B 202 5662 5011 4084 894 62 38 C ATOM 2928 CZ3 TRP B 202 15.148 -7.066 -30.659 1.00 37.71 C ANISOU 2928 CZ3 TRP B 202 5357 4896 4074 789 156 80 C ATOM 2929 CH2 TRP B 202 15.501 -8.330 -31.158 1.00 38.26 C ANISOU 2929 CH2 TRP B 202 5490 4972 4076 874 112 49 C ATOM 0 H TRP B 202 8.999 -4.501 -31.536 1.00 34.28 H new ATOM 0 HA TRP B 202 11.580 -4.591 -31.864 1.00 34.70 H new ATOM 0 HB2 TRP B 202 10.749 -5.961 -30.269 1.00 34.60 H new ATOM 0 HB3 TRP B 202 9.664 -6.548 -31.223 1.00 34.60 H new ATOM 0 HD1 TRP B 202 10.194 -8.706 -32.317 1.00 34.10 H new ATOM 0 HE1 TRP B 202 12.121 -10.109 -32.619 1.00 36.46 H new ATOM 0 HE3 TRP B 202 13.628 -5.791 -30.374 1.00 35.04 H new ATOM 0 HZ2 TRP B 202 14.819 -9.984 -32.092 1.00 38.84 H new ATOM 0 HZ3 TRP B 202 15.805 -6.517 -30.295 1.00 37.71 H new ATOM 0 HH2 TRP B 202 16.387 -8.607 -31.104 1.00 38.26 H new ATOM 2930 N ASP B 203 9.751 -5.959 -34.105 1.00 37.00 N ANISOU 2930 N ASP B 203 5449 4796 3810 839 103 88 N ATOM 2931 CA ASP B 203 9.648 -6.332 -35.495 1.00 39.92 C ANISOU 2931 CA ASP B 203 5877 5183 4106 936 101 88 C ATOM 2932 C ASP B 203 10.189 -5.237 -36.457 1.00 41.98 C ANISOU 2932 C ASP B 203 6155 5449 4347 1004 180 150 C ATOM 2933 O ASP B 203 10.879 -5.564 -37.449 1.00 42.37 O ANISOU 2933 O ASP B 203 6240 5512 4346 1077 216 173 O ATOM 2934 CB ASP B 203 8.177 -6.556 -35.836 1.00 40.36 C ANISOU 2934 CB ASP B 203 5955 5258 4121 945 34 26 C ATOM 2935 CG ASP B 203 7.589 -7.678 -35.043 1.00 40.87 C ANISOU 2935 CG ASP B 203 6021 5317 4190 860 -28 -38 C ATOM 2936 OD1 ASP B 203 8.347 -8.469 -34.393 1.00 42.51 O ANISOU 2936 OD1 ASP B 203 6246 5492 4414 822 -31 -31 O ATOM 2937 OD2 ASP B 203 6.359 -7.777 -35.029 1.00 42.57 O ANISOU 2937 OD2 ASP B 203 6225 5561 4386 830 -75 -103 O ATOM 0 H ASP B 203 9.024 -6.060 -33.658 1.00 37.00 H new ATOM 0 HA ASP B 203 10.182 -7.133 -35.614 1.00 39.92 H new ATOM 0 HB2 ASP B 203 7.678 -5.742 -35.665 1.00 40.36 H new ATOM 0 HB3 ASP B 203 8.090 -6.748 -36.783 1.00 40.36 H new ATOM 2938 N ALA B 204 9.886 -3.981 -36.149 1.00 41.77 N ANISOU 2938 N ALA B 204 6115 5407 4349 977 207 175 N ATOM 2939 CA ALA B 204 10.144 -2.860 -37.068 1.00 43.94 C ANISOU 2939 CA ALA B 204 6445 5664 4585 1033 276 232 C ATOM 2940 C ALA B 204 11.471 -2.159 -36.779 1.00 45.79 C ANISOU 2940 C ALA B 204 6649 5883 4866 977 376 291 C ATOM 2941 O ALA B 204 11.827 -1.228 -37.538 1.00 46.47 O ANISOU 2941 O ALA B 204 6797 5945 4914 1001 453 344 O ATOM 2942 CB ALA B 204 9.002 -1.863 -37.001 1.00 43.87 C ANISOU 2942 CB ALA B 204 6466 5639 4562 1052 241 218 C ATOM 0 H ALA B 204 9.525 -3.748 -35.404 1.00 41.77 H new ATOM 0 HA ALA B 204 10.206 -3.230 -37.963 1.00 43.94 H new ATOM 0 HB1 ALA B 204 9.178 -1.128 -37.608 1.00 43.87 H new ATOM 0 HB2 ALA B 204 8.175 -2.301 -37.255 1.00 43.87 H new ATOM 0 HB3 ALA B 204 8.922 -1.522 -36.096 1.00 43.87 H new TER 2943 ALA B 204 HETATM 2944 NA NA A 301 -3.558 -8.152 2.507 1.00 26.42 NA HETATM 2945 C1 EDO A 207 -8.429 -2.704 -9.629 1.00 46.39 C HETATM 2946 O1 EDO A 207 -9.793 -2.435 -9.842 1.00 45.19 O HETATM 2947 C2 EDO A 207 -7.654 -1.420 -9.787 1.00 45.51 C HETATM 2948 O2 EDO A 207 -6.637 -1.473 -8.825 1.00 48.44 O HETATM 0 HO2 EDO A 207 -6.171 -0.776 -8.871 1.00 48.44 H new HETATM 0 HO1 EDO A 207 -9.964 -1.648 -9.604 1.00 45.19 H new HETATM 0 H22 EDO A 207 -7.285 -1.343 -10.681 1.00 45.51 H new HETATM 0 H21 EDO A 207 -8.225 -0.648 -9.649 1.00 45.51 H new HETATM 0 H12 EDO A 207 -8.293 -3.072 -8.742 1.00 46.39 H new HETATM 0 H11 EDO A 207 -8.114 -3.367 -10.263 1.00 46.39 H new HETATM 2949 NA NA B 301 13.365 -16.210 -9.846 1.00 29.16 NA HETATM 2950 O HOH A 208 -0.677 -5.620 -4.714 1.00 35.72 O ANISOU 2950 O HOH A 208 4472 4399 4698 325 163 451 O HETATM 2951 O HOH A 209 2.851 5.985 -23.733 1.00 24.10 O ANISOU 2951 O HOH A 209 3294 3192 2670 -76 -63 429 O HETATM 2952 O HOH A 210 5.872 11.791 -16.905 1.00 25.18 O ANISOU 2952 O HOH A 210 3267 2958 3339 -226 -60 320 O HETATM 2953 O HOH A 211 9.338 7.369 -2.512 1.00 28.30 O ANISOU 2953 O HOH A 211 3468 3633 3649 -141 -460 144 O HETATM 2954 O HOH A 212 1.695 0.770 -8.074 1.00 25.03 O ANISOU 2954 O HOH A 212 3307 3399 2805 -283 89 59 O HETATM 2955 O HOH A 213 -0.796 -1.889 -15.637 1.00 27.97 O ANISOU 2955 O HOH A 213 3963 3511 3150 -69 -207 111 O HETATM 2956 O HOH A 214 -9.710 0.199 -15.535 1.00 23.60 O ANISOU 2956 O HOH A 214 2400 3379 3185 -339 -175 451 O HETATM 2957 O HOH A 215 -16.930 -16.562 -11.734 1.00 36.78 O ANISOU 2957 O HOH A 215 4586 4739 4650 -552 -25 -84 O HETATM 2958 O HOH A 216 -15.700 9.942 -13.219 1.00 36.61 O ANISOU 2958 O HOH A 216 4366 5256 4285 259 -485 165 O HETATM 2959 O HOH A 217 2.880 1.431 -5.703 1.00 24.49 O ANISOU 2959 O HOH A 217 3258 3190 2855 -139 33 84 O HETATM 2960 O HOH A 218 -12.798 -12.739 -11.517 1.00 35.34 O ANISOU 2960 O HOH A 218 4344 4681 4400 -344 111 -74 O HETATM 2961 O HOH A 219 -6.326 0.019 -23.098 1.00 26.28 O ANISOU 2961 O HOH A 219 3509 3622 2853 -236 -229 151 O HETATM 2962 O HOH A 220 -20.837 -10.494 -10.536 1.00 28.60 O ANISOU 2962 O HOH A 220 3006 4169 3693 -586 -129 167 O HETATM 2963 O HOH A 221 -1.947 16.153 -14.838 1.00 33.07 O ANISOU 2963 O HOH A 221 4386 3873 4304 70 -354 308 O HETATM 2964 O HOH A 222 -20.763 -13.008 3.332 1.00 32.97 O ANISOU 2964 O HOH A 222 3764 4543 4219 -526 53 648 O HETATM 2965 O HOH A 223 -7.670 -10.127 -9.575 1.00 34.24 O ANISOU 2965 O HOH A 223 4064 4506 4438 -189 110 72 O HETATM 2966 O HOH A 224 4.189 -4.333 -3.291 1.00 32.92 O ANISOU 2966 O HOH A 224 3694 3563 5249 165 201 572 O HETATM 2967 O HOH A 225 3.926 -1.067 -13.437 1.00 31.78 O ANISOU 2967 O HOH A 225 4359 4036 3680 187 -192 101 O HETATM 2968 O HOH A 226 -8.714 -2.887 -22.685 1.00 32.85 O ANISOU 2968 O HOH A 226 4508 4416 3554 -479 -302 82 O HETATM 2969 O HOH A 227 3.646 13.826 -14.332 1.00 29.33 O ANISOU 2969 O HOH A 227 3799 3397 3946 -124 -201 242 O HETATM 2970 O HOH A 228 0.589 -7.166 -22.668 1.00 31.76 O ANISOU 2970 O HOH A 228 4262 4057 3746 -19 -615 -33 O HETATM 2971 O HOH A 229 -13.213 -16.572 -8.269 1.00 32.74 O ANISOU 2971 O HOH A 229 4027 4191 4220 -333 141 -45 O HETATM 2972 O HOH A 230 -25.198 -15.419 1.453 1.00 41.58 O ANISOU 2972 O HOH A 230 4642 5879 5275 -1008 8 819 O HETATM 2973 O HOH A 231 -8.700 -3.751 -17.035 1.00 29.20 O ANISOU 2973 O HOH A 231 3253 4193 3648 -313 66 339 O HETATM 2974 O HOH A 232 -3.396 -14.310 -2.589 1.00 34.18 O ANISOU 2974 O HOH A 232 4016 4257 4711 -99 -35 303 O HETATM 2975 O HOH A 233 5.469 1.269 -6.515 1.00 26.74 O ANISOU 2975 O HOH A 233 3458 3495 3207 -193 91 -50 O HETATM 2976 O HOH A 234 16.390 13.890 -2.236 1.00 32.70 O ANISOU 2976 O HOH A 234 4392 3695 4337 -243 -1276 233 O HETATM 2977 O HOH A 235 7.471 7.319 6.022 1.00 32.89 O ANISOU 2977 O HOH A 235 4537 4535 3423 -25 -502 -139 O HETATM 2978 O HOH A 236 -22.105 -8.385 -11.973 1.00 30.11 O ANISOU 2978 O HOH A 236 3300 4231 3908 -521 -131 306 O HETATM 2979 O HOH A 237 0.278 15.760 -16.463 1.00 29.99 O ANISOU 2979 O HOH A 237 4019 3426 3949 -46 -249 397 O HETATM 2980 O HOH A 238 -6.622 -3.732 7.131 1.00 34.83 O ANISOU 2980 O HOH A 238 4547 4159 4529 307 -241 163 O HETATM 2981 O HOH A 239 -7.837 -6.071 3.638 1.00 29.97 O ANISOU 2981 O HOH A 239 3429 4130 3827 11 -150 255 O HETATM 2982 O HOH A 240 5.955 -1.410 -7.290 1.00 33.55 O ANISOU 2982 O HOH A 240 4201 4318 4226 -216 187 -242 O HETATM 2983 O HOH A 241 -8.408 -4.165 5.424 1.00 30.00 O ANISOU 2983 O HOH A 241 3621 4117 3660 -68 -123 325 O HETATM 2984 O HOH A 242 -15.255 -1.184 -15.655 1.00 38.02 O ANISOU 2984 O HOH A 242 4305 5286 4853 -410 -193 330 O HETATM 2985 O HOH A 243 -6.269 -6.767 -10.301 1.00 39.53 O ANISOU 2985 O HOH A 243 4614 5200 5203 -195 4 202 O HETATM 2986 O HOH A 244 -0.965 -1.950 -13.047 1.00 37.06 O ANISOU 2986 O HOH A 244 4614 5515 3950 -688 237 -287 O HETATM 2987 O HOH A 245 -5.474 -0.656 -12.337 1.00 34.45 O ANISOU 2987 O HOH A 245 4101 5178 3811 -457 -95 -107 O HETATM 2988 O HOH A 246 23.999 17.354 -9.951 1.00 43.08 O ANISOU 2988 O HOH A 246 3816 5964 6587 -94 -57 -1124 O HETATM 2989 O HOH A 247 9.083 13.248 0.718 1.00 32.54 O ANISOU 2989 O HOH A 247 3935 4106 4323 -12 -503 -121 O HETATM 2990 O HOH A 248 10.384 14.993 -1.145 1.00 41.22 O ANISOU 2990 O HOH A 248 4984 4834 5840 -281 -1006 284 O HETATM 2991 O HOH A 249 3.682 11.506 4.022 1.00 34.36 O ANISOU 2991 O HOH A 249 4330 4307 4416 96 -519 -207 O HETATM 2992 O HOH A 250 -6.920 8.195 8.565 1.00 33.81 O ANISOU 2992 O HOH A 250 5033 4308 3505 88 434 -426 O HETATM 2993 O HOH A 251 -15.997 -7.802 -18.063 1.00 35.90 O ANISOU 2993 O HOH A 251 4366 5067 4207 -566 -117 83 O HETATM 2994 O HOH A 252 -5.495 2.266 -9.249 1.00 29.79 O ANISOU 2994 O HOH A 252 3691 4180 3446 -283 -235 188 O HETATM 2995 O HOH A 253 -9.797 0.947 -9.235 1.00 39.80 O ANISOU 2995 O HOH A 253 4919 5312 4890 -175 -235 125 O HETATM 2996 O HOH A 254 -8.095 -1.849 -13.121 1.00 36.33 O ANISOU 2996 O HOH A 254 4088 4891 4822 -276 -135 338 O HETATM 2997 O HOH A 255 -8.906 0.296 -12.895 1.00 37.31 O ANISOU 2997 O HOH A 255 4176 4972 5025 -288 -246 375 O HETATM 2998 O HOH A 256 -13.788 -21.309 -5.234 1.00 33.40 O ANISOU 2998 O HOH A 256 4083 4069 4540 -360 152 94 O HETATM 2999 O HOH A 257 -4.932 -7.196 4.273 1.00 33.15 O ANISOU 2999 O HOH A 257 4436 4116 4041 -69 -687 115 O HETATM 3000 O HOH A 258 6.186 -3.352 1.694 1.00 33.65 O ANISOU 3000 O HOH A 258 4168 4294 4323 228 -271 497 O HETATM 3001 O HOH A 259 7.838 -4.784 -0.521 1.00 50.10 O ANISOU 3001 O HOH A 259 6094 6090 6852 223 -179 301 O HETATM 3002 O HOH A 260 5.522 -3.640 -5.780 1.00 39.40 O ANISOU 3002 O HOH A 260 4874 4862 5234 -81 158 -196 O HETATM 3003 O HOH A 261 5.097 2.556 -9.194 1.00 28.93 O ANISOU 3003 O HOH A 261 3766 3726 3498 133 -184 116 O HETATM 3004 O HOH A 262 -16.357 1.889 -9.347 1.00 35.61 O ANISOU 3004 O HOH A 262 4077 4674 4776 -110 -221 183 O HETATM 3005 O HOH A 263 -7.223 -12.719 -21.342 1.00 42.41 O ANISOU 3005 O HOH A 263 5477 5126 5511 -232 218 -358 O HETATM 3006 O HOH A 264 2.991 13.996 4.087 1.00 41.68 O ANISOU 3006 O HOH A 264 5102 5006 5728 98 -665 -259 O HETATM 3007 O HOH A 265 2.381 -2.699 -10.909 1.00 42.81 O ANISOU 3007 O HOH A 265 5325 5849 5091 -500 319 -416 O HETATM 3008 O HOH A 266 3.556 -1.476 -31.841 1.00 42.55 O ANISOU 3008 O HOH A 266 5963 5655 4549 766 -74 -148 O HETATM 3009 O HOH A 267 2.870 -3.635 -30.774 1.00 35.92 O ANISOU 3009 O HOH A 267 4805 5109 3732 340 -426 -55 O HETATM 3010 O HOH A 268 17.659 11.227 -19.229 1.00 40.22 O ANISOU 3010 O HOH A 268 4789 5683 4807 -480 528 -571 O HETATM 3011 O HOH A 269 22.326 12.910 -6.127 1.00 45.81 O ANISOU 3011 O HOH A 269 5208 5800 6394 -715 -704 -1059 O HETATM 3012 O HOH A 270 -8.490 14.724 -2.877 1.00 48.62 O ANISOU 3012 O HOH A 270 5721 6204 6546 61 -372 316 O HETATM 3013 O HOH A 271 -1.468 8.524 -23.086 1.00 32.79 O ANISOU 3013 O HOH A 271 4458 4210 3789 -7 -171 500 O HETATM 3014 O HOH A 272 -5.471 16.472 -11.423 1.00 40.02 O ANISOU 3014 O HOH A 272 5153 4960 5091 288 -502 123 O HETATM 3015 O HOH A 273 -7.220 7.985 -22.655 1.00 34.92 O ANISOU 3015 O HOH A 273 4675 4584 4006 111 -370 405 O HETATM 3016 O HOH A 274 5.685 5.198 9.491 1.00 45.05 O ANISOU 3016 O HOH A 274 6194 6285 4638 -200 -590 -38 O HETATM 3017 O HOH A 275 3.606 5.426 10.677 1.00 47.70 O ANISOU 3017 O HOH A 275 6640 6656 4826 -257 -460 -115 O HETATM 3018 O HOH A 276 -19.637 -18.253 0.156 1.00 40.86 O ANISOU 3018 O HOH A 276 4771 5421 5332 -229 305 554 O HETATM 3019 O HOH A 277 -5.347 -12.738 -6.270 1.00 45.51 O ANISOU 3019 O HOH A 277 5476 5793 6021 -124 95 150 O HETATM 3020 O HOH A 278 -2.219 -8.927 4.248 1.00 42.79 O ANISOU 3020 O HOH A 278 5484 5286 5488 -153 -786 319 O HETATM 3021 O HOH A 279 -18.611 13.858 -7.952 1.00 58.60 O ANISOU 3021 O HOH A 279 8853 6682 6727 1147 -129 419 O HETATM 3022 O HOH A 280 -18.654 14.904 -4.963 1.00 49.64 O ANISOU 3022 O HOH A 280 6098 5950 6809 1286 46 112 O HETATM 3023 O HOH A 281 -15.837 5.169 -18.742 1.00 39.95 O ANISOU 3023 O HOH A 281 4233 5549 5397 -471 -426 764 O HETATM 3024 O HOH A 282 -6.454 11.220 -18.972 1.00 37.88 O ANISOU 3024 O HOH A 282 5023 4830 4540 103 -348 404 O HETATM 3025 O HOH A 283 -4.115 11.059 -21.195 1.00 59.86 O ANISOU 3025 O HOH A 283 7886 7561 7296 53 -262 494 O HETATM 3026 O HOH A 284 -0.458 0.203 -27.189 1.00 46.18 O ANISOU 3026 O HOH A 284 6120 6175 5251 116 -342 202 O HETATM 3027 O HOH A 285 -6.571 -6.257 -27.992 1.00 34.65 O ANISOU 3027 O HOH A 285 4401 5341 3423 -416 -419 -298 O HETATM 3028 O HOH A 286 -7.267 -3.991 -28.519 1.00 54.46 O ANISOU 3028 O HOH A 286 6899 7991 5799 -271 -735 180 O HETATM 3029 O HOH B 207 13.793 -8.056 -8.876 1.00 36.28 O ANISOU 3029 O HOH B 207 4480 4657 4647 119 -229 157 O HETATM 3030 O HOH B 208 19.163 3.805 -12.425 1.00 31.82 O ANISOU 3030 O HOH B 208 2258 3809 6023 -22 -1413 1853 O HETATM 3031 O HOH B 209 15.759 10.713 -9.603 1.00 25.35 O ANISOU 3031 O HOH B 209 2252 4196 3181 -88 216 -502 O HETATM 3032 O HOH B 210 8.227 -3.473 -14.295 1.00 31.28 O ANISOU 3032 O HOH B 210 4865 3048 3971 755 -341 -659 O HETATM 3033 O HOH B 211 16.949 -2.917 -11.810 1.00 29.76 O ANISOU 3033 O HOH B 211 3161 4303 3843 916 -1121 1 O HETATM 3034 O HOH B 212 17.695 -16.467 -11.743 1.00 29.79 O ANISOU 3034 O HOH B 212 3809 3076 4434 -312 -675 405 O HETATM 3035 O HOH B 213 5.971 12.597 -14.346 1.00 26.26 O ANISOU 3035 O HOH B 213 3350 3042 3582 -185 -143 196 O HETATM 3036 O HOH B 214 2.843 8.020 -22.062 1.00 22.66 O ANISOU 3036 O HOH B 214 3098 2898 2611 -122 -50 460 O HETATM 3037 O HOH B 215 15.092 -1.672 -15.919 1.00 25.71 O ANISOU 3037 O HOH B 215 3433 3353 2981 1 -479 -67 O HETATM 3038 O HOH B 216 12.616 -13.328 -2.003 1.00 31.98 O ANISOU 3038 O HOH B 216 3899 4204 4045 -138 -110 227 O HETATM 3039 O HOH B 217 31.484 -12.985 3.828 1.00 38.87 O ANISOU 3039 O HOH B 217 3812 5603 5354 150 -768 389 O HETATM 3040 O HOH B 218 18.086 10.069 -16.875 1.00 37.67 O ANISOU 3040 O HOH B 218 3924 5618 4769 -370 453 -595 O HETATM 3041 O HOH B 219 10.614 2.793 -9.623 1.00 25.76 O ANISOU 3041 O HOH B 219 3685 3099 3004 -278 -117 -173 O HETATM 3042 O HOH B 220 18.551 2.823 -0.020 1.00 36.14 O ANISOU 3042 O HOH B 220 3880 3115 6735 406 -1063 164 O HETATM 3043 O HOH B 221 22.515 -8.358 1.945 1.00 31.61 O ANISOU 3043 O HOH B 221 3390 4319 4300 283 -641 -402 O HETATM 3044 O HOH B 222 11.614 -18.454 -28.132 1.00 26.50 O ANISOU 3044 O HOH B 222 3444 3083 3541 405 -228 -515 O HETATM 3045 O HOH B 223 19.330 -2.011 -14.454 1.00 30.24 O ANISOU 3045 O HOH B 223 4110 3428 3951 -150 -197 128 O HETATM 3046 O HOH B 224 30.265 -18.272 -4.880 1.00 30.10 O ANISOU 3046 O HOH B 224 3490 3936 4007 -60 -470 818 O HETATM 3047 O HOH B 225 13.459 13.761 -12.003 1.00 38.18 O ANISOU 3047 O HOH B 225 3680 5815 5012 -139 218 -464 O HETATM 3048 O HOH B 226 10.907 8.253 -26.610 1.00 38.98 O ANISOU 3048 O HOH B 226 5724 4531 4554 -109 97 693 O HETATM 3049 O HOH B 227 32.017 -17.451 -7.343 1.00 36.17 O ANISOU 3049 O HOH B 227 4109 4649 4986 226 -251 678 O HETATM 3050 O HOH B 228 17.159 5.161 2.114 1.00 38.73 O ANISOU 3050 O HOH B 228 4546 5400 4767 253 -879 424 O HETATM 3051 O HOH B 229 15.305 0.584 -12.238 1.00 41.84 O ANISOU 3051 O HOH B 229 5420 4846 5631 37 -508 -494 O HETATM 3052 O HOH B 230 10.133 13.390 -16.904 1.00 36.21 O ANISOU 3052 O HOH B 230 3607 5084 5067 -134 -556 -460 O HETATM 3053 O HOH B 231 1.983 -15.292 -15.529 1.00 38.05 O ANISOU 3053 O HOH B 231 5721 4549 4186 -68 -195 30 O HETATM 3054 O HOH B 232 4.690 -2.135 -15.612 1.00 30.23 O ANISOU 3054 O HOH B 232 4208 3880 3395 293 -201 76 O HETATM 3055 O HOH B 233 18.341 -17.582 -14.060 1.00 30.89 O ANISOU 3055 O HOH B 233 3926 3177 4633 -148 -911 251 O HETATM 3056 O HOH B 234 15.038 -17.653 -11.138 1.00 29.72 O ANISOU 3056 O HOH B 234 3970 3596 3725 15 -297 216 O HETATM 3057 O HOH B 235 12.113 -17.139 -11.979 1.00 48.72 O ANISOU 3057 O HOH B 235 6282 6060 6169 -94 -324 177 O HETATM 3058 O HOH B 236 16.718 -19.043 -15.450 1.00 41.24 O ANISOU 3058 O HOH B 236 5894 5088 4686 445 -1188 152 O HETATM 3059 O HOH B 237 20.368 10.746 -20.919 1.00 44.58 O ANISOU 3059 O HOH B 237 5613 5882 5442 -705 1223 -773 O HETATM 3060 O HOH B 238 14.219 9.116 -24.786 1.00 46.23 O ANISOU 3060 O HOH B 238 7305 5548 4711 -547 -327 -402 O HETATM 3061 O HOH B 239 5.688 0.654 -10.931 1.00 31.65 O ANISOU 3061 O HOH B 239 4202 4075 3747 216 -186 109 O HETATM 3062 O HOH B 240 9.647 -0.028 -5.688 1.00 48.31 O ANISOU 3062 O HOH B 240 5627 6547 6182 -172 -18 -505 O HETATM 3063 O HOH B 241 11.083 0.480 -10.476 1.00 42.60 O ANISOU 3063 O HOH B 241 5890 5212 5084 -244 -219 -56 O HETATM 3064 O HOH B 242 11.023 -0.900 -7.881 1.00 49.05 O ANISOU 3064 O HOH B 242 5701 7301 5633 376 -561 -894 O HETATM 3065 O HOH B 243 6.567 -4.663 -18.501 1.00 35.12 O ANISOU 3065 O HOH B 243 4952 4042 4350 26 -317 -106 O HETATM 3066 O HOH B 244 6.300 16.356 -2.851 1.00 31.12 O ANISOU 3066 O HOH B 244 4039 3590 4192 -145 -256 -316 O HETATM 3067 O HOH B 245 9.267 14.271 -7.972 1.00 45.84 O ANISOU 3067 O HOH B 245 5771 5666 5978 -349 -151 -163 O HETATM 3068 O HOH B 246 12.566 -20.274 -16.636 1.00 45.10 O ANISOU 3068 O HOH B 246 6453 5764 4918 196 -916 175 O HETATM 3069 O HOH B 247 19.432 -20.999 -23.961 1.00 40.96 O ANISOU 3069 O HOH B 247 4716 5875 4971 1045 -992 -629 O HETATM 3070 O HOH B 248 21.332 -19.497 -27.070 1.00 44.80 O ANISOU 3070 O HOH B 248 6886 4546 5589 1343 -1512 -591 O HETATM 3071 O HOH B 249 20.490 -19.178 -7.812 1.00 36.64 O ANISOU 3071 O HOH B 249 5098 3871 4950 -184 -752 689 O HETATM 3072 O HOH B 250 29.132 -16.815 1.403 1.00 43.37 O ANISOU 3072 O HOH B 250 4583 5035 6858 475 -996 297 O HETATM 3073 O HOH B 251 30.488 -6.146 -4.456 1.00 44.73 O ANISOU 3073 O HOH B 251 4340 5924 6731 -179 -659 89 O HETATM 3074 O HOH B 252 31.385 -2.317 -3.686 1.00 46.30 O ANISOU 3074 O HOH B 252 4259 5050 8283 -313 -1510 969 O HETATM 3075 O HOH B 253 18.285 4.278 -8.128 1.00 42.63 O ANISOU 3075 O HOH B 253 3702 4677 7817 -26 -1461 1206 O HETATM 3076 O HOH B 254 22.977 -13.058 5.477 1.00 31.85 O ANISOU 3076 O HOH B 254 4076 4113 3911 257 -171 224 O HETATM 3077 O HOH B 255 22.588 1.195 -15.705 1.00 49.24 O ANISOU 3077 O HOH B 255 6424 5677 6607 -408 -447 491 O HETATM 3078 O HOH B 256 23.048 1.829 -13.287 1.00 53.26 O ANISOU 3078 O HOH B 256 4934 6731 8570 -419 -923 2332 O HETATM 3079 O HOH B 257 10.967 6.825 -31.548 1.00 48.99 O ANISOU 3079 O HOH B 257 7583 5916 5112 -478 192 889 O HETATM 3080 O HOH B 258 10.871 0.214 -33.836 1.00 40.41 O ANISOU 3080 O HOH B 258 5869 5124 4361 777 361 295 O HETATM 3081 O HOH B 259 8.075 2.234 -8.769 1.00 30.64 O ANISOU 3081 O HOH B 259 4351 3768 3521 -408 34 -254 O HETATM 3082 O HOH B 260 13.064 -20.818 -22.654 1.00 39.31 O ANISOU 3082 O HOH B 260 5104 5437 4395 713 -764 15 O HETATM 3083 O HOH B 261 34.340 -15.526 -12.571 1.00 37.59 O ANISOU 3083 O HOH B 261 3895 5219 5165 547 313 599 O HETATM 3084 O HOH B 262 30.225 -4.294 -2.234 1.00 36.12 O ANISOU 3084 O HOH B 262 3025 4876 5821 -193 -954 -404 O HETATM 3085 O HOH B 263 18.811 -2.144 -10.591 1.00 39.22 O ANISOU 3085 O HOH B 263 3068 5226 6607 -439 -700 920 O HETATM 3086 O HOH B 264 10.904 -3.078 -11.379 1.00 41.20 O ANISOU 3086 O HOH B 264 4970 5970 4711 157 -436 -483 O CONECT 567 2944 CONECT 579 2944 CONECT 602 2944 CONECT 762 769 CONECT 769 762 770 771 CONECT 770 769 772 774 CONECT 771 769 772 775 CONECT 772 770 771 773 782 CONECT 773 772 CONECT 774 770 776 CONECT 775 771 777 CONECT 776 774 778 CONECT 777 775 779 CONECT 778 776 780 CONECT 779 777 781 CONECT 780 778 CONECT 781 779 CONECT 782 772 CONECT 1345 1348 CONECT 1348 1345 1349 CONECT 1349 1348 1350 1352 CONECT 1350 1349 1351 1356 CONECT 1351 1350 CONECT 1352 1349 1353 CONECT 1353 1352 1354 CONECT 1354 1353 1355 CONECT 1355 1354 CONECT 1356 1350 CONECT 1465 1469 CONECT 1469 1465 1470 CONECT 1470 1469 1471 1473 CONECT 1471 1470 1472 1477 CONECT 1472 1471 CONECT 1473 1470 1474 CONECT 1474 1473 1475 CONECT 1475 1474 1476 CONECT 1476 1475 CONECT 1477 1471 CONECT 2020 2949 CONECT 2033 2949 CONECT 2061 2949 CONECT 2211 2218 CONECT 2218 2211 2219 CONECT 2219 2218 2220 2222 CONECT 2220 2219 2221 2226 CONECT 2221 2220 CONECT 2222 2219 2223 CONECT 2223 2222 2224 CONECT 2224 2223 2225 CONECT 2225 2224 CONECT 2226 2220 CONECT 2759 2762 CONECT 2762 2759 2763 CONECT 2763 2762 2764 2766 CONECT 2764 2763 2765 2770 CONECT 2765 2764 CONECT 2766 2763 2767 CONECT 2767 2766 2768 CONECT 2768 2767 2769 CONECT 2769 2768 CONECT 2770 2764 CONECT 2875 2879 CONECT 2879 2875 2880 CONECT 2880 2879 2881 2883 CONECT 2881 2880 2882 2887 CONECT 2882 2881 CONECT 2883 2880 2884 CONECT 2884 2883 2885 CONECT 2885 2884 2886 CONECT 2886 2885 CONECT 2887 2881 CONECT 2944 567 579 602 2999 CONECT 2944 3020 CONECT 2945 2946 2947 CONECT 2946 2945 CONECT 2947 2945 2948 CONECT 2948 2947 CONECT 2949 2020 2033 2061 3056 CONECT 2949 3057 CONECT 2999 2944 CONECT 3020 2944 CONECT 3056 2949 CONECT 3057 2949 END