USER MOD reduce.3.24.130724 H: found=0, std=0, add=1829, rem=0, adj=89 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 03-MAR-06 2G8Q TITLE THE CRYSTAL STRUCTURE OF RNASE A FROM MONOCLINIC CRYSTALS AT 100 K COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: RNASE 1, RNASE A; COMPND 5 EC: 3.1.27.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS HYDROLASE, RIBONUCLEASE, ENDONUCLEASE EXPDTA X-RAY DIFFRACTION AUTHOR D.D.LEONIDAS,S.E.ZOGRAPHOS,N.G.OIKONOMAKOS REVDAT 3 13-JUL-11 2G8Q 1 VERSN REVDAT 2 24-FEB-09 2G8Q 1 VERSN REVDAT 1 15-AUG-06 2G8Q 0 JRNL AUTH D.D.LEONIDAS,T.K.MAITI,A.SAMANTA,S.DASGUPTA,T.PATHAK, JRNL AUTH 2 S.E.ZOGRAPHOS,N.G.OIKONOMAKOS JRNL TITL THE BINDING OF JRNL TITL 2 3'-N-PIPERIDINE-4-CARBOXYL-3'-DEOXY-ARA-URIDINE TO JRNL TITL 3 RIBONUCLEASE A IN THE CRYSTAL. JRNL REF BIOORG.MED.CHEM. V. 14 6055 2006 JRNL REFN ISSN 0968-0896 JRNL PMID 16730994 JRNL DOI 10.1016/J.BMC.2006.05.011 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 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) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 35654 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) : 0.187 REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1878 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) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2606 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.71 REMARK 3 BIN R VALUE (WORKING SET) : 0.2000 REMARK 3 BIN FREE R VALUE SET COUNT : 144 REMARK 3 BIN FREE R VALUE : 0.2230 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1902 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 373 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 16.14 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.81 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.17000 REMARK 3 B22 (A**2) : 0.29000 REMARK 3 B33 (A**2) : -0.46000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.02000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.083 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.085 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.044 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.187 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.953 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.935 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1953 ; 0.008 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2644 ; 1.188 ; 1.924 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 246 ; 5.823 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 90 ;37.185 ;25.333 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 340 ;11.014 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ; 8.577 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 293 ; 0.075 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1474 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 965 ; 0.188 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1370 ; 0.297 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 299 ; 0.159 ; 0.200 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): 68 ; 0.178 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 44 ; 0.123 ; 0.200 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): 1265 ; 0.640 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2017 ; 1.065 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 753 ; 1.624 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 627 ; 2.568 ; 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 : 12 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 1 A 16 REMARK 3 ORIGIN FOR THE GROUP (A): 30.2281 8.7324 9.0486 REMARK 3 T TENSOR REMARK 3 T11: 0.0690 T22: 0.0224 REMARK 3 T33: -0.0133 T12: 0.0095 REMARK 3 T13: 0.0420 T23: 0.0381 REMARK 3 L TENSOR REMARK 3 L11: 2.5009 L22: 3.4453 REMARK 3 L33: 4.8638 L12: 0.1021 REMARK 3 L13: 0.0608 L23: 1.7698 REMARK 3 S TENSOR REMARK 3 S11: 0.1359 S12: 0.1223 S13: 0.1232 REMARK 3 S21: -0.1892 S22: -0.0048 S23: -0.1686 REMARK 3 S31: -0.4114 S32: -0.0588 S33: -0.1311 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 17 A 23 REMARK 3 ORIGIN FOR THE GROUP (A): 24.8384 -5.3717 -1.6055 REMARK 3 T TENSOR REMARK 3 T11: 0.0821 T22: 0.0729 REMARK 3 T33: 0.0415 T12: -0.0049 REMARK 3 T13: 0.0550 T23: -0.0456 REMARK 3 L TENSOR REMARK 3 L11: 0.6888 L22: 23.5570 REMARK 3 L33: 4.0225 L12: -1.9693 REMARK 3 L13: 1.1093 L23: 3.1591 REMARK 3 S TENSOR REMARK 3 S11: -0.5411 S12: -0.1109 S13: -0.4364 REMARK 3 S21: 1.5974 S22: 0.0160 S23: 1.7132 REMARK 3 S31: 1.0111 S32: -0.5007 S33: 0.5251 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 24 A 56 REMARK 3 ORIGIN FOR THE GROUP (A): 32.3836 2.0710 4.2962 REMARK 3 T TENSOR REMARK 3 T11: 0.0350 T22: 0.0472 REMARK 3 T33: -0.0166 T12: -0.0110 REMARK 3 T13: 0.0301 T23: 0.0115 REMARK 3 L TENSOR REMARK 3 L11: 3.4426 L22: 1.5722 REMARK 3 L33: 2.7228 L12: -1.3131 REMARK 3 L13: -2.1768 L23: 0.9288 REMARK 3 S TENSOR REMARK 3 S11: 0.2046 S12: 0.2038 S13: 0.1579 REMARK 3 S21: -0.2744 S22: 0.0426 S23: -0.2249 REMARK 3 S31: -0.2563 S32: -0.0202 S33: -0.2472 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 57 A 77 REMARK 3 ORIGIN FOR THE GROUP (A): 28.1081 -1.3173 23.8126 REMARK 3 T TENSOR REMARK 3 T11: 0.0117 T22: 0.0206 REMARK 3 T33: 0.0146 T12: 0.0048 REMARK 3 T13: 0.0018 T23: 0.0078 REMARK 3 L TENSOR REMARK 3 L11: 3.7307 L22: 1.5972 REMARK 3 L33: 2.4661 L12: -0.0199 REMARK 3 L13: 0.6096 L23: -0.7075 REMARK 3 S TENSOR REMARK 3 S11: -0.0320 S12: -0.0050 S13: -0.0421 REMARK 3 S21: 0.0675 S22: 0.0672 S23: -0.1109 REMARK 3 S31: -0.0359 S32: -0.2115 S33: -0.0352 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 78 A 100 REMARK 3 ORIGIN FOR THE GROUP (A): 37.8775 -5.0819 1.7623 REMARK 3 T TENSOR REMARK 3 T11: 0.0112 T22: 0.0271 REMARK 3 T33: 0.0216 T12: -0.0129 REMARK 3 T13: 0.0363 T23: -0.0517 REMARK 3 L TENSOR REMARK 3 L11: 5.6156 L22: 1.3410 REMARK 3 L33: 3.2963 L12: 0.3368 REMARK 3 L13: -3.1417 L23: -0.1070 REMARK 3 S TENSOR REMARK 3 S11: -0.0604 S12: 0.0373 S13: -0.1359 REMARK 3 S21: -0.2079 S22: 0.1058 S23: -0.3906 REMARK 3 S31: 0.2252 S32: 0.1737 S33: -0.0453 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 101 A 124 REMARK 3 ORIGIN FOR THE GROUP (A): 28.2057 0.5298 16.9756 REMARK 3 T TENSOR REMARK 3 T11: 0.0222 T22: 0.0390 REMARK 3 T33: 0.0140 T12: -0.0031 REMARK 3 T13: 0.0077 T23: 0.0149 REMARK 3 L TENSOR REMARK 3 L11: 1.7528 L22: 2.2698 REMARK 3 L33: 2.1025 L12: 0.5092 REMARK 3 L13: 0.2117 L23: 0.4132 REMARK 3 S TENSOR REMARK 3 S11: -0.0059 S12: 0.1257 S13: -0.0237 REMARK 3 S21: -0.0580 S22: 0.0695 S23: -0.0824 REMARK 3 S31: 0.0424 S32: -0.2038 S33: -0.0636 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 : B 1 B 20 REMARK 3 ORIGIN FOR THE GROUP (A): 15.7140 -1.8113 29.1746 REMARK 3 T TENSOR REMARK 3 T11: 0.0207 T22: 0.0626 REMARK 3 T33: 0.0177 T12: -0.0183 REMARK 3 T13: 0.0112 T23: 0.0170 REMARK 3 L TENSOR REMARK 3 L11: 4.4956 L22: 2.2821 REMARK 3 L33: 5.6785 L12: 0.3371 REMARK 3 L13: 0.9581 L23: 1.2155 REMARK 3 S TENSOR REMARK 3 S11: -0.0976 S12: 0.4009 S13: 0.1672 REMARK 3 S21: -0.1171 S22: 0.1750 S23: -0.0344 REMARK 3 S31: -0.2518 S32: 0.0192 S33: -0.0774 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 : B 21 B 31 REMARK 3 ORIGIN FOR THE GROUP (A): 8.2865 3.3857 18.1040 REMARK 3 T TENSOR REMARK 3 T11: 0.0969 T22: 0.1834 REMARK 3 T33: -0.1202 T12: 0.0084 REMARK 3 T13: -0.0135 T23: 0.1264 REMARK 3 L TENSOR REMARK 3 L11: 6.8722 L22: 12.2512 REMARK 3 L33: 2.3836 L12: -4.7886 REMARK 3 L13: 3.2599 L23: 0.4604 REMARK 3 S TENSOR REMARK 3 S11: 0.2838 S12: 1.0278 S13: 0.5714 REMARK 3 S21: -1.0941 S22: -0.4970 S23: -0.0032 REMARK 3 S31: -0.2857 S32: 0.6997 S33: 0.2132 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 : B 32 B 50 REMARK 3 ORIGIN FOR THE GROUP (A): 9.0242 -2.8911 24.8504 REMARK 3 T TENSOR REMARK 3 T11: 0.0156 T22: 0.0652 REMARK 3 T33: -0.0081 T12: 0.0103 REMARK 3 T13: 0.0050 T23: 0.0056 REMARK 3 L TENSOR REMARK 3 L11: 4.1261 L22: 1.6861 REMARK 3 L33: 1.7767 L12: 0.2634 REMARK 3 L13: 0.6916 L23: 0.7253 REMARK 3 S TENSOR REMARK 3 S11: 0.0086 S12: 0.5384 S13: -0.2273 REMARK 3 S21: -0.2221 S22: -0.0819 S23: 0.0742 REMARK 3 S31: 0.0091 S32: 0.0544 S33: 0.0733 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 : B 51 B 74 REMARK 3 ORIGIN FOR THE GROUP (A): 11.6566 0.0334 44.1664 REMARK 3 T TENSOR REMARK 3 T11: 0.0173 T22: 0.0056 REMARK 3 T33: 0.0427 T12: -0.0058 REMARK 3 T13: -0.0168 T23: 0.0044 REMARK 3 L TENSOR REMARK 3 L11: 3.2389 L22: 2.3600 REMARK 3 L33: 1.2898 L12: 0.7580 REMARK 3 L13: -0.7754 L23: -0.2490 REMARK 3 S TENSOR REMARK 3 S11: -0.0666 S12: -0.1007 S13: -0.0856 REMARK 3 S21: 0.0322 S22: 0.0877 S23: -0.0117 REMARK 3 S31: 0.0870 S32: -0.0458 S33: -0.0210 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 : B 75 B 102 REMARK 3 ORIGIN FOR THE GROUP (A): 2.8374 2.0948 24.9972 REMARK 3 T TENSOR REMARK 3 T11: 0.0314 T22: 0.0233 REMARK 3 T33: 0.0021 T12: 0.0046 REMARK 3 T13: -0.0353 T23: 0.0084 REMARK 3 L TENSOR REMARK 3 L11: 2.2076 L22: 1.0991 REMARK 3 L33: 3.0486 L12: 0.7809 REMARK 3 L13: 1.4610 L23: 1.2325 REMARK 3 S TENSOR REMARK 3 S11: -0.1456 S12: 0.4407 S13: 0.0605 REMARK 3 S21: -0.2697 S22: 0.0037 S23: 0.1023 REMARK 3 S31: -0.1105 S32: 0.0671 S33: 0.1418 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 : B 103 B 124 REMARK 3 ORIGIN FOR THE GROUP (A): 11.5586 -0.4190 39.6874 REMARK 3 T TENSOR REMARK 3 T11: 0.0395 T22: 0.0042 REMARK 3 T33: 0.0314 T12: -0.0192 REMARK 3 T13: -0.0137 T23: 0.0062 REMARK 3 L TENSOR REMARK 3 L11: 2.8762 L22: 1.7089 REMARK 3 L33: 1.9625 L12: -0.7665 REMARK 3 L13: 0.4006 L23: -0.2394 REMARK 3 S TENSOR REMARK 3 S11: -0.0841 S12: 0.0624 S13: -0.0164 REMARK 3 S21: -0.1105 S22: 0.0402 S23: 0.1216 REMARK 3 S31: -0.0114 S32: -0.0295 S33: 0.0439 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 2G8Q COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036829. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-NOV-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : X13 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8068 REMARK 200 MONOCHROMATOR : CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37534 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 7.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.02900 REMARK 200 FOR THE DATA SET : 3.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.54 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.7 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.13000 REMARK 200 FOR SHELL : 3.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: PDB ENTRY 1AFU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.70 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 MM SODIUM CITRATE BUFFER AND 20 % REMARK 280 PEG 4000, PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 279K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 49.99150 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.27550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 49.99150 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.27550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: THE BIOLOGICALLY SIGNIFICANTLY MOLECULE IS A MONOMER. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B 174 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 138 O HOH A 223 1.74 REMARK 500 O HOH A 230 O HOH B 246 2.03 REMARK 500 OD1 ASN B 103 O HOH B 298 2.14 REMARK 500 O HOH B 164 O HOH B 283 2.14 REMARK 500 OD1 ASP B 83 O HOH B 280 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 19 -74.47 -176.20 REMARK 500 ALA A 20 -91.45 17.92 REMARK 500 SER A 21 102.85 61.64 REMARK 500 HIS A 48 63.73 -106.18 REMARK 500 GLN A 60 -138.74 -98.47 REMARK 500 ASN A 71 37.01 -99.00 REMARK 500 HIS B 48 56.94 -109.45 REMARK 500 GLN B 60 -129.77 -106.85 REMARK 500 ASN B 71 30.18 -98.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AFU RELATED DB: PDB REMARK 900 RNASE A FROM MONOCLINIC CRYSTALS AT ROOM TEMPERATURE REMARK 900 RELATED ID: 2G8R RELATED DB: PDB DBREF 2G8Q A 1 124 UNP P61823 RNAS1_BOVIN 27 150 DBREF 2G8Q B 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL SEQRES 1 B 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 B 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 B 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 B 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 B 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 B 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 B 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 B 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 B 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 B 124 VAL HIS PHE ASP ALA SER VAL FORMUL 3 HOH *373(H2 O) HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 VAL A 57 1 8 HELIX 4 4 CYS A 58 GLN A 60 5 3 HELIX 5 5 THR B 3 MET B 13 1 11 HELIX 6 6 ASN B 24 ARG B 33 1 10 HELIX 7 7 SER B 50 ALA B 56 1 7 HELIX 8 8 VAL B 57 GLN B 60 5 4 SHEET 1 A 5 VAL A 43 VAL A 47 0 SHEET 2 A 5 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46 SHEET 3 A 5 TYR A 97 GLU A 111 -1 O THR A 100 N ASP A 83 SHEET 4 A 5 CYS A 72 GLN A 74 -1 N TYR A 73 O VAL A 108 SHEET 5 A 5 LYS A 61 VAL A 63 -1 N LYS A 61 O GLN A 74 SHEET 1 B 4 VAL A 43 VAL A 47 0 SHEET 2 B 4 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46 SHEET 3 B 4 TYR A 97 GLU A 111 -1 O THR A 100 N ASP A 83 SHEET 4 B 4 VAL A 116 VAL A 124 -1 O VAL A 118 N ALA A 109 SHEET 1 C 5 VAL B 43 VAL B 47 0 SHEET 2 C 5 MET B 79 GLU B 86 -1 O THR B 82 N PHE B 46 SHEET 3 C 5 TYR B 97 GLU B 111 -1 O THR B 100 N ASP B 83 SHEET 4 C 5 CYS B 72 GLN B 74 -1 N TYR B 73 O VAL B 108 SHEET 5 C 5 LYS B 61 VAL B 63 -1 N LYS B 61 O GLN B 74 SHEET 1 D 4 VAL B 43 VAL B 47 0 SHEET 2 D 4 MET B 79 GLU B 86 -1 O THR B 82 N PHE B 46 SHEET 3 D 4 TYR B 97 GLU B 111 -1 O THR B 100 N ASP B 83 SHEET 4 D 4 VAL B 116 VAL B 124 -1 O VAL B 118 N ALA B 109 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.04 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.03 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.04 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.04 SSBOND *** CYS B 26 CYS B 84 1555 1555 2.03 SSBOND *** CYS B 40 CYS B 95 1555 1555 2.04 SSBOND *** CYS B 58 CYS B 110 1555 1555 2.04 SSBOND *** CYS B 65 CYS B 72 1555 1555 2.04 CISPEP 1 TYR A 92 PRO A 93 0 1.78 CISPEP 2 ASN A 113 PRO A 114 0 7.53 CISPEP 3 TYR B 92 PRO B 93 0 4.71 CISPEP 4 ASN B 113 PRO B 114 0 5.03 CRYST1 99.983 32.551 72.355 90.00 90.48 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010002 0.000000 0.000083 0.00000 SCALE2 0.000000 0.030721 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013821 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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 123 SER OG : rot -100:sc= 0.798 USER MOD Set 2.1: B 73 TYR OH : rot 23:sc= 3.34 USER MOD Set 2.2: B 115 TYR OH : rot 30:sc= 0.444 USER MOD Set 3.1: B 78 THR OG1 : rot -58:sc= 0.357 USER MOD Set 3.2: B 103 ASN : amide:sc= -2.29! C(o=-1.9!,f=-3.6!) USER MOD Set 4.1: B 30 MET CE :methyl 161:sc= -0.198 (180deg=-0.474) USER MOD Set 4.2: B 97 TYR OH : rot -11:sc= 1.32 USER MOD Set 5.1: B 87 THR OG1 : rot 173:sc= 1.2 USER MOD Set 5.2: B 89 SER OG : rot 58:sc= 0.215 USER MOD Set 6.1: B 25 TYR OH : rot -35:sc= -0.374! USER MOD Set 6.2: B 29 MET CE :methyl -147:sc= -0.248 (180deg=-1.2) USER MOD Set 6.3: B 48 HIS : no HE2:sc= -0.358! C(o=0.29!,f=-9.2!) USER MOD Set 6.4: B 82 THR OG1 : rot 116:sc= 1.27 USER MOD Set 7.1: B 24 ASN : amide:sc= -0.134 K(o=0.38,f=-1.1) USER MOD Set 7.2: B 27 ASN : amide:sc= 0.51 K(o=0.38,f=-5.7!) USER MOD Set 8.1: B 16 SER OG : rot -86:sc= 2.06 USER MOD Set 8.2: B 17 THR OG1 : rot 180:sc= 0 USER MOD Set 9.1: B 13 MET CE :methyl -163:sc= -0.0916 (180deg=-1.08) USER MOD Set 9.2: B 15 SER OG : rot -69:sc= 2.47 USER MOD Set10.1: B 11 GLN : amide:sc= 0.516 K(o=5,f=3.3) USER MOD Set10.2: B 41 LYS NZ :NH3+ -172:sc= 2.27 (180deg=0.662) USER MOD Set10.3: B 44 ASN : amide:sc= 2.17 K(o=5,f=-7.9!) USER MOD Set11.1: A 73 TYR OH : rot 158:sc= 2.19 USER MOD Set11.2: A 115 TYR OH : rot 165:sc= 1.19 USER MOD Set12.1: A 98 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.21) USER MOD Set12.2: A 100 THR OG1 : rot -14:sc= 1.03 USER MOD Set13.1: A 21 SER OG : rot 170:sc= 0.532 USER MOD Set13.2: A 25 TYR OH : rot -14:sc= 0.799 USER MOD Set13.3: A 29 MET CE :methyl -144:sc= 0 (180deg=-0.17) USER MOD Set13.4: A 48 HIS : no HE2:sc= 1.22 K(o=5.7,f=-6.6!) USER MOD Set13.5: A 80 SER OG : rot -172:sc= 1.49 USER MOD Set13.6: A 82 THR OG1 : rot 76:sc= 1.92 USER MOD Set13.7: A 101 GLN : amide:sc= -0.222 X(o=5.7,f=5.6) USER MOD Set14.1: A 77 SER OG : rot -38:sc= 0.0822 USER MOD Set14.2: B 34 ASN : amide:sc= 0.79 K(o=0.87,f=-0.22) USER MOD Set15.1: A 67 ASN : amide:sc= -2.45! C(o=-6.1!,f=-9.6!) USER MOD Set15.2: A 69 GLN B: amide:sc= -3.63! K(o=-6.1!,f=-0.59) USER MOD Set16.1: A 11 GLN : amide:sc= 0.842 K(o=6.8,f=2.2) USER MOD Set16.2: A 12 HIS : no HE2:sc= 2.11 K(o=6.8,f=1.3!) USER MOD Set16.3: A 41 LYS NZ :NH3+ 176:sc= 2.07 (180deg=0.405) USER MOD Set16.4: A 44 ASN : amide:sc= 1.77 K(o=6.8,f=-5.2!) USER MOD Set17.1: A 30 MET CE :methyl 177:sc= -0.542 (180deg=-0.55) USER MOD Set17.2: A 97 TYR OH : rot -179:sc= 1.37 USER MOD Single : A 1 LYS N :NH3+ 166:sc= 1.98 (180deg=1.68) USER MOD Single : A 1 LYS NZ :NH3+ 165:sc= -0.0803 (180deg=-0.251) USER MOD Single : A 3 THR OG1 : rot -163:sc= 1.55 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 0.648 (180deg=0.48) USER MOD Single : A 13 MET CE :methyl -165:sc= -0.0498 (180deg=-0.599) USER MOD Single : A 15 SER OG : rot -64:sc= 2.4 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -86:sc= 1.17 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.36 X(o=1.4,f=1.2) USER MOD Single : A 27 ASN : amide:sc= 1.99 K(o=2,f=-4.4!) USER MOD Single : A 28 GLN : amide:sc= 0.931 K(o=0.93,f=-0.83) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 1:sc= 0.645 USER MOD Single : A 34 ASN : amide:sc=-0.00546 X(o=-0.0055,f=0.08) USER MOD Single : A 36 THR OG1 : rot -16:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -83:sc= 3.17 USER MOD Single : A 50 SER OG : rot 174:sc= 1.11 USER MOD Single : A 55 GLN : amide:sc= 0.283 K(o=0.28,f=1.9) USER MOD Single : A 59 SER OG : rot 167:sc= -0.241! USER MOD Single : A 60 GLN : amide:sc= 1.49 K(o=1.5,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0.0234 (180deg=0.00475) USER MOD Single : A 62 ASN : amide:sc= 1.63 K(o=1.6,f=0.49) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.319 (180deg=0.313) USER MOD Single : A 69 GLN A: amide:sc= 1.48 X(o=1.5,f=1.6) USER MOD Single : A 70 THR OG1 : rot 84:sc= 1.32 USER MOD Single : A 71 ASN : amide:sc= 3.23 K(o=3.2,f=-1.9!) USER MOD Single : A 74 GLN : amide:sc= 2.23 X(o=2.2,f=1.8) USER MOD Single : A 75 SER OG : rot 110:sc= 1.42 USER MOD Single : A 76 TYR OH : rot -165:sc= 2.44 USER MOD Single : A 78 THR OG1 : rot 84:sc= 0.223 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.000295 USER MOD Single : A 89 SER OG : rot -113:sc= 0.0395 USER MOD Single : A 90 SER OG : rot -110:sc= 1.43 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.0842 (180deg=-0.191) USER MOD Single : A 92 TYR OH : rot 19:sc= 1.29 USER MOD Single : A 94 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 99 THR OG1 : rot -55:sc= 1.44 USER MOD Single : A 103 ASN : amide:sc= 0.00713! K(o=0.0071!,f=1.9) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0.727 (180deg=0.691) USER MOD Single : A 105 HIS : no HE2:sc= 1.59 K(o=1.6,f=-3.6!) USER MOD Single : A 113 ASN : amide:sc= -0.0112 K(o=-0.011,f=-2.3) USER MOD Single : A 119 HIS : no HD1:sc= 2.51 K(o=2.5,f=-7.9!) USER MOD Single : A 123 SER OG : rot -106:sc= 1.03 USER MOD Single : B 1 LYS N :NH3+ -175:sc= -0.102 (180deg=-0.157) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -168:sc= 1.46 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 HIS : no HE2:sc= 3.29 K(o=3.3,f=-4!) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0.569 K(o=0.57,f=-1.3!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 THR OG1 : rot -19:sc= 0.812 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot -81:sc= 1.42 USER MOD Single : B 50 SER OG : rot 180:sc= 0.9 USER MOD Single : B 55 GLN : amide:sc= -0.15 K(o=-0.15,f=1.9) USER MOD Single : B 59 SER OG A: rot -43:sc= 2.77 USER MOD Single : B 59 SER OG B: rot 85:sc= 1.09 USER MOD Single : B 60 GLN : amide:sc= 1.83 K(o=1.8,f=-2.4!) USER MOD Single : B 61 LYS NZ :NH3+ -160:sc= 0.551 (180deg=0.391) USER MOD Single : B 62 ASN : amide:sc= 2.54 X(o=2.5,f=2.1) USER MOD Single : B 66 LYS NZ :NH3+ 171:sc= -3.99! (180deg=-4.45!) USER MOD Single : B 67 ASN : amide:sc= -0.808 K(o=-0.81,f=-10!) USER MOD Single : B 69 GLN : amide:sc= 0.617 K(o=0.62,f=-4.2!) USER MOD Single : B 70 THR OG1 : rot 89:sc= 1.34 USER MOD Single : B 71 ASN : amide:sc= 1.88 K(o=1.9,f=-2.9!) USER MOD Single : B 74 GLN : amide:sc= 3.06 K(o=3.1,f=1.1) USER MOD Single : B 75 SER OG : rot 100:sc= 1.39 USER MOD Single : B 76 TYR OH : rot 180:sc= 1.25 USER MOD Single : B 77 SER OG : rot 161:sc= 0.706 USER MOD Single : B 79 MET CE :methyl -178:sc= 0 (180deg=-0.00385) USER MOD Single : B 80 SER OG : rot 156:sc= 2.21 USER MOD Single : B 90 SER OG : rot -110:sc= 0.856 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 TYR OH : rot 19:sc= 0.643 USER MOD Single : B 94 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 THR OG1 : rot -57:sc= 1.71 USER MOD Single : B 100 THR OG1 : rot -125:sc= 2.3 USER MOD Single : B 101 GLN : amide:sc= -3.14! K(o=-3.1!,f=-1.1) USER MOD Single : B 105 HIS : no HE2:sc= 0.828 K(o=0.83,f=-2.1!) USER MOD Single : B 113 ASN : amide:sc= -2.42! K(o=-2.4!,f=0.67) USER MOD Single : B 119 HIS : no HD1:sc= 0.00398 X(o=0.004,f=0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 34.404 21.635 9.789 1.00 14.87 N ATOM 2 CA LYS A 1 35.156 20.359 9.970 1.00 14.84 C ATOM 3 C LYS A 1 34.205 19.201 10.248 1.00 14.27 C ATOM 4 O LYS A 1 33.076 19.404 10.700 1.00 13.88 O ATOM 5 CB LYS A 1 36.201 20.489 11.087 1.00 15.31 C ATOM 6 CG LYS A 1 35.622 20.737 12.475 1.00 17.25 C ATOM 7 CD LYS A 1 36.687 21.242 13.442 1.00 19.70 C ATOM 8 CE LYS A 1 36.120 21.426 14.844 1.00 21.00 C ATOM 9 NZ LYS A 1 35.546 20.172 15.409 1.00 23.09 N ATOM 0 H1 LYS A 1 34.969 22.321 9.831 1.00 14.87 H new ATOM 0 H2 LYS A 1 34.000 21.632 8.996 1.00 14.87 H new ATOM 0 H3 LYS A 1 33.794 21.714 10.432 1.00 14.87 H new ATOM 0 HA LYS A 1 35.625 20.170 9.142 1.00 14.84 H new ATOM 0 HB2 LYS A 1 36.733 19.678 11.112 1.00 15.31 H new ATOM 0 HB3 LYS A 1 36.804 21.217 10.866 1.00 15.31 H new ATOM 0 HG2 LYS A 1 34.903 21.386 12.416 1.00 17.25 H new ATOM 0 HG3 LYS A 1 35.236 19.916 12.817 1.00 17.25 H new ATOM 0 HD2 LYS A 1 37.426 20.614 13.470 1.00 19.70 H new ATOM 0 HD3 LYS A 1 37.044 22.085 13.122 1.00 19.70 H new ATOM 0 HE2 LYS A 1 36.821 21.748 15.431 1.00 21.00 H new ATOM 0 HE3 LYS A 1 35.432 22.110 14.822 1.00 21.00 H new ATOM 0 HZ1 LYS A 1 35.430 20.267 16.286 1.00 23.09 H new ATOM 0 HZ2 LYS A 1 34.762 20.004 15.023 1.00 23.09 H new ATOM 0 HZ3 LYS A 1 36.103 19.495 15.256 1.00 23.09 H new ATOM 10 N GLU A 2 34.682 17.990 9.971 1.00 13.56 N ATOM 11 CA GLU A 2 33.905 16.766 10.127 1.00 13.50 C ATOM 12 C GLU A 2 33.885 16.325 11.586 1.00 12.98 C ATOM 13 O GLU A 2 34.934 16.072 12.180 1.00 13.39 O ATOM 14 CB GLU A 2 34.494 15.662 9.245 1.00 13.43 C ATOM 15 CG GLU A 2 33.679 14.382 9.261 1.00 13.24 C ATOM 16 CD GLU A 2 34.277 13.260 8.428 1.00 14.18 C ATOM 17 OE1 GLU A 2 35.462 12.910 8.619 1.00 15.12 O ATOM 18 OE2 GLU A 2 33.537 12.703 7.597 1.00 15.09 O ATOM 0 H GLU A 2 35.481 17.856 9.682 1.00 13.56 H new ATOM 0 HA GLU A 2 32.992 16.939 9.850 1.00 13.50 H new ATOM 0 HB2 GLU A 2 34.559 15.985 8.333 1.00 13.43 H new ATOM 0 HB3 GLU A 2 35.397 15.467 9.541 1.00 13.43 H new ATOM 0 HG2 GLU A 2 33.588 14.079 10.178 1.00 13.24 H new ATOM 0 HG3 GLU A 2 32.786 14.574 8.935 1.00 13.24 H new ATOM 19 N THR A 3 32.688 16.241 12.159 1.00 12.52 N ATOM 20 CA THR A 3 32.524 15.760 13.526 1.00 12.00 C ATOM 21 C THR A 3 32.754 14.246 13.570 1.00 11.67 C ATOM 22 O THR A 3 32.716 13.572 12.533 1.00 11.62 O ATOM 23 CB THR A 3 31.116 16.073 14.074 1.00 12.17 C ATOM 24 OG1 THR A 3 30.149 15.311 13.341 1.00 12.49 O ATOM 25 CG2 THR A 3 30.797 17.563 13.970 1.00 12.67 C ATOM 0 H THR A 3 31.953 16.460 11.769 1.00 12.52 H new ATOM 0 HA THR A 3 33.176 16.217 14.081 1.00 12.00 H new ATOM 0 HB THR A 3 31.087 15.831 15.013 1.00 12.17 H new ATOM 0 HG1 THR A 3 29.384 15.636 13.463 1.00 12.49 H new ATOM 0 HG21 THR A 3 29.908 17.729 14.321 1.00 12.67 H new ATOM 0 HG22 THR A 3 31.446 18.070 14.482 1.00 12.67 H new ATOM 0 HG23 THR A 3 30.834 17.838 13.040 1.00 12.67 H new ATOM 26 N ALA A 4 33.003 13.721 14.768 1.00 11.07 N ATOM 27 CA ALA A 4 33.151 12.282 14.965 1.00 10.67 C ATOM 28 C ALA A 4 31.894 11.546 14.514 1.00 10.38 C ATOM 29 O ALA A 4 31.976 10.483 13.882 1.00 10.70 O ATOM 30 CB ALA A 4 33.452 11.974 16.424 1.00 10.54 C ATOM 0 H ALA A 4 33.090 14.187 15.486 1.00 11.07 H new ATOM 0 HA ALA A 4 33.896 11.975 14.425 1.00 10.67 H new ATOM 0 HB1 ALA A 4 33.548 11.016 16.540 1.00 10.54 H new ATOM 0 HB2 ALA A 4 34.276 12.414 16.685 1.00 10.54 H new ATOM 0 HB3 ALA A 4 32.725 12.295 16.979 1.00 10.54 H new ATOM 31 N ALA A 5 30.732 12.120 14.833 1.00 10.99 N ATOM 32 CA ALA A 5 29.451 11.540 14.413 1.00 10.91 C ATOM 33 C ALA A 5 29.360 11.484 12.889 1.00 10.53 C ATOM 34 O ALA A 5 28.934 10.471 12.324 1.00 10.81 O ATOM 35 CB ALA A 5 28.272 12.315 15.015 1.00 11.27 C ATOM 0 H ALA A 5 30.662 12.844 15.291 1.00 10.99 H new ATOM 0 HA ALA A 5 29.404 10.631 14.749 1.00 10.91 H new ATOM 0 HB1 ALA A 5 27.438 11.914 14.724 1.00 11.27 H new ATOM 0 HB2 ALA A 5 28.325 12.284 15.983 1.00 11.27 H new ATOM 0 HB3 ALA A 5 28.307 13.238 14.719 1.00 11.27 H new ATOM 36 N ALA A 6 29.787 12.556 12.220 1.00 10.32 N ATOM 37 CA ALA A 6 29.785 12.571 10.762 1.00 10.64 C ATOM 38 C ALA A 6 30.783 11.575 10.167 1.00 10.76 C ATOM 39 O ALA A 6 30.508 10.933 9.151 1.00 10.94 O ATOM 40 CB ALA A 6 30.065 13.988 10.248 1.00 10.67 C ATOM 0 H ALA A 6 30.078 13.276 12.589 1.00 10.32 H new ATOM 0 HA ALA A 6 28.902 12.293 10.471 1.00 10.64 H new ATOM 0 HB1 ALA A 6 30.062 13.987 9.278 1.00 10.67 H new ATOM 0 HB2 ALA A 6 29.379 14.592 10.573 1.00 10.67 H new ATOM 0 HB3 ALA A 6 30.932 14.283 10.568 1.00 10.67 H new ATOM 41 N LYS A 7 31.948 11.458 10.792 1.00 10.77 N ATOM 42 CA LYS A 7 32.948 10.500 10.356 1.00 10.54 C ATOM 43 C LYS A 7 32.410 9.073 10.456 1.00 10.52 C ATOM 44 O LYS A 7 32.612 8.277 9.545 1.00 10.79 O ATOM 45 CB LYS A 7 34.233 10.667 11.159 1.00 11.09 C ATOM 46 CG LYS A 7 35.349 9.754 10.715 1.00 11.83 C ATOM 47 CD LYS A 7 36.597 9.979 11.519 1.00 14.18 C ATOM 48 CE LYS A 7 37.708 9.077 11.008 1.00 13.64 C ATOM 49 NZ LYS A 7 39.033 9.461 11.569 1.00 16.39 N ATOM 0 H LYS A 7 32.178 11.928 11.475 1.00 10.77 H new ATOM 0 HA LYS A 7 33.155 10.672 9.424 1.00 10.54 H new ATOM 0 HB2 LYS A 7 34.532 11.587 11.089 1.00 11.09 H new ATOM 0 HB3 LYS A 7 34.043 10.501 12.096 1.00 11.09 H new ATOM 0 HG2 LYS A 7 35.068 8.830 10.804 1.00 11.83 H new ATOM 0 HG3 LYS A 7 35.537 9.904 9.775 1.00 11.83 H new ATOM 0 HD2 LYS A 7 36.869 10.908 11.457 1.00 14.18 H new ATOM 0 HD3 LYS A 7 36.426 9.796 12.456 1.00 14.18 H new ATOM 0 HE2 LYS A 7 37.511 8.157 11.243 1.00 13.64 H new ATOM 0 HE3 LYS A 7 37.741 9.122 10.040 1.00 13.64 H new ATOM 0 HZ1 LYS A 7 39.600 8.780 11.485 1.00 16.39 H new ATOM 0 HZ2 LYS A 7 39.350 10.166 11.128 1.00 16.39 H new ATOM 0 HZ3 LYS A 7 38.943 9.667 12.430 1.00 16.39 H new ATOM 50 N PHE A 8 31.693 8.765 11.538 1.00 10.36 N ATOM 51 CA PHE A 8 31.065 7.455 11.661 1.00 10.40 C ATOM 52 C PHE A 8 30.082 7.216 10.517 1.00 10.03 C ATOM 53 O PHE A 8 30.055 6.131 9.931 1.00 10.13 O ATOM 54 CB PHE A 8 30.372 7.287 13.024 1.00 9.61 C ATOM 55 CG PHE A 8 29.629 5.993 13.153 1.00 9.65 C ATOM 56 CD1 PHE A 8 28.329 5.879 12.677 1.00 10.15 C ATOM 57 CD2 PHE A 8 30.238 4.880 13.727 1.00 9.99 C ATOM 58 CE1 PHE A 8 27.646 4.682 12.757 1.00 8.62 C ATOM 59 CE2 PHE A 8 29.547 3.677 13.838 1.00 9.04 C ATOM 60 CZ PHE A 8 28.255 3.568 13.347 1.00 8.84 C ATOM 0 H PHE A 8 31.561 9.295 12.202 1.00 10.36 H new ATOM 0 HA PHE A 8 31.766 6.787 11.605 1.00 10.40 H new ATOM 0 HB2 PHE A 8 31.037 7.343 13.728 1.00 9.61 H new ATOM 0 HB3 PHE A 8 29.754 8.023 13.159 1.00 9.61 H new ATOM 0 HD1 PHE A 8 27.913 6.620 12.299 1.00 10.15 H new ATOM 0 HD2 PHE A 8 31.112 4.941 14.038 1.00 9.99 H new ATOM 0 HE1 PHE A 8 26.782 4.616 12.419 1.00 8.62 H new ATOM 0 HE2 PHE A 8 29.953 2.945 14.242 1.00 9.04 H new ATOM 0 HZ PHE A 8 27.797 2.761 13.409 1.00 8.84 H new ATOM 61 N GLU A 9 29.275 8.226 10.188 1.00 10.23 N ATOM 62 CA GLU A 9 28.338 8.078 9.085 1.00 10.66 C ATOM 63 C GLU A 9 29.067 7.820 7.767 1.00 10.22 C ATOM 64 O GLU A 9 28.651 6.967 6.975 1.00 10.69 O ATOM 65 CB GLU A 9 27.420 9.293 8.979 1.00 10.71 C ATOM 66 CG GLU A 9 26.541 9.450 10.222 1.00 11.31 C ATOM 67 CD GLU A 9 25.449 10.476 10.046 1.00 12.52 C ATOM 68 OE1 GLU A 9 24.979 10.670 8.897 1.00 14.68 O ATOM 69 OE2 GLU A 9 25.049 11.079 11.061 1.00 12.95 O ATOM 0 H GLU A 9 29.257 8.989 10.584 1.00 10.23 H new ATOM 0 HA GLU A 9 27.785 7.303 9.270 1.00 10.66 H new ATOM 0 HB2 GLU A 9 27.955 10.093 8.858 1.00 10.71 H new ATOM 0 HB3 GLU A 9 26.857 9.206 8.194 1.00 10.71 H new ATOM 0 HG2 GLU A 9 26.141 8.593 10.439 1.00 11.31 H new ATOM 0 HG3 GLU A 9 27.097 9.703 10.975 1.00 11.31 H new ATOM 70 N ARG A 10 30.170 8.530 7.548 1.00 10.18 N ATOM 71 CA ARG A 10 30.911 8.384 6.295 1.00 10.23 C ATOM 72 C ARG A 10 31.573 7.007 6.217 1.00 10.42 C ATOM 73 O ARG A 10 31.574 6.354 5.170 1.00 10.35 O ATOM 74 CB ARG A 10 31.957 9.487 6.143 1.00 10.43 C ATOM 75 CG ARG A 10 32.906 9.251 4.973 1.00 10.72 C ATOM 76 CD ARG A 10 33.836 10.420 4.752 1.00 10.78 C ATOM 77 NE ARG A 10 34.626 10.752 5.930 1.00 10.79 N ATOM 78 CZ ARG A 10 35.775 10.173 6.266 1.00 10.99 C ATOM 79 NH1 ARG A 10 36.285 9.204 5.509 1.00 12.56 N ATOM 80 NH2 ARG A 10 36.409 10.563 7.369 1.00 11.84 N ATOM 0 H ARG A 10 30.504 9.095 8.103 1.00 10.18 H new ATOM 0 HA ARG A 10 30.278 8.465 5.564 1.00 10.23 H new ATOM 0 HB2 ARG A 10 31.507 10.338 6.022 1.00 10.43 H new ATOM 0 HB3 ARG A 10 32.472 9.553 6.962 1.00 10.43 H new ATOM 0 HG2 ARG A 10 33.428 8.450 5.138 1.00 10.72 H new ATOM 0 HG3 ARG A 10 32.391 9.092 4.167 1.00 10.72 H new ATOM 0 HD2 ARG A 10 34.433 10.216 4.015 1.00 10.78 H new ATOM 0 HD3 ARG A 10 33.316 11.195 4.489 1.00 10.78 H new ATOM 0 HE ARG A 10 34.326 11.370 6.448 1.00 10.79 H new ATOM 0 HH11 ARG A 10 35.871 8.950 4.799 1.00 12.56 H new ATOM 0 HH12 ARG A 10 37.028 8.832 5.730 1.00 12.56 H new ATOM 0 HH21 ARG A 10 36.075 11.186 7.859 1.00 11.84 H new ATOM 0 HH22 ARG A 10 37.152 10.192 7.592 1.00 11.84 H new ATOM 81 N GLN A 11 32.150 6.563 7.328 1.00 10.81 N ATOM 82 CA GLN A 11 32.879 5.294 7.329 1.00 10.64 C ATOM 83 C GLN A 11 31.973 4.073 7.420 1.00 10.45 C ATOM 84 O GLN A 11 32.336 2.986 6.957 1.00 10.50 O ATOM 85 CB GLN A 11 33.869 5.239 8.491 1.00 11.07 C ATOM 86 CG GLN A 11 35.016 6.207 8.402 1.00 13.13 C ATOM 87 CD GLN A 11 36.153 5.777 9.303 1.00 16.77 C ATOM 88 OE1 GLN A 11 37.182 5.284 8.832 1.00 19.11 O ATOM 89 NE2 GLN A 11 35.962 5.919 10.602 1.00 15.05 N ATOM 0 H GLN A 11 32.134 6.973 8.084 1.00 10.81 H new ATOM 0 HA GLN A 11 33.341 5.263 6.477 1.00 10.64 H new ATOM 0 HB2 GLN A 11 33.387 5.406 9.316 1.00 11.07 H new ATOM 0 HB3 GLN A 11 34.227 4.340 8.549 1.00 11.07 H new ATOM 0 HG2 GLN A 11 35.328 6.262 7.485 1.00 13.13 H new ATOM 0 HG3 GLN A 11 34.716 7.094 8.654 1.00 13.13 H new ATOM 0 HE21 GLN A 11 35.232 6.267 10.894 1.00 15.05 H new ATOM 0 HE22 GLN A 11 36.568 5.663 11.156 1.00 15.05 H new ATOM 90 N HIS A 12 30.800 4.223 8.033 1.00 9.96 N ATOM 91 CA HIS A 12 30.044 3.030 8.437 1.00 10.26 C ATOM 92 C HIS A 12 28.586 2.935 8.047 1.00 10.91 C ATOM 93 O HIS A 12 27.995 1.883 8.229 1.00 11.92 O ATOM 94 CB HIS A 12 30.185 2.804 9.948 1.00 10.13 C ATOM 95 CG HIS A 12 31.601 2.632 10.383 1.00 9.41 C ATOM 96 ND1 HIS A 12 32.383 1.581 9.953 1.00 8.13 N ATOM 97 CD2 HIS A 12 32.387 3.388 11.185 1.00 9.59 C ATOM 98 CE1 HIS A 12 33.587 1.689 10.484 1.00 8.90 C ATOM 99 NE2 HIS A 12 33.617 2.782 11.230 1.00 8.22 N ATOM 0 H HIS A 12 30.432 4.977 8.221 1.00 9.96 H new ATOM 0 HA HIS A 12 30.460 2.329 7.911 1.00 10.26 H new ATOM 0 HB2 HIS A 12 29.796 3.557 10.420 1.00 10.13 H new ATOM 0 HB3 HIS A 12 29.677 2.018 10.201 1.00 10.13 H new ATOM 0 HD1 HIS A 12 32.127 0.954 9.423 1.00 8.13 H new ATOM 0 HD2 HIS A 12 32.140 4.170 11.623 1.00 9.59 H new ATOM 0 HE1 HIS A 12 34.293 1.098 10.356 1.00 8.90 H new ATOM 100 N MET A 13 28.001 4.023 7.560 1.00 11.24 N ATOM 101 CA MET A 13 26.595 3.988 7.224 1.00 11.11 C ATOM 102 C MET A 13 26.397 3.837 5.717 1.00 11.04 C ATOM 103 O MET A 13 26.968 4.589 4.933 1.00 11.61 O ATOM 104 CB MET A 13 25.902 5.255 7.717 1.00 10.74 C ATOM 105 CG MET A 13 25.721 5.328 9.243 1.00 11.86 C ATOM 106 SD MET A 13 24.784 3.959 9.973 1.00 11.78 S ATOM 107 CE MET A 13 23.233 4.081 9.082 1.00 11.94 C ATOM 0 H MET A 13 28.395 4.775 7.421 1.00 11.24 H new ATOM 0 HA MET A 13 26.199 3.219 7.663 1.00 11.11 H new ATOM 0 HB2 MET A 13 26.415 6.025 7.426 1.00 10.74 H new ATOM 0 HB3 MET A 13 25.031 5.319 7.296 1.00 10.74 H new ATOM 0 HG2 MET A 13 26.597 5.359 9.657 1.00 11.86 H new ATOM 0 HG3 MET A 13 25.274 6.161 9.462 1.00 11.86 H new ATOM 0 HE1 MET A 13 22.556 3.557 9.538 1.00 11.94 H new ATOM 0 HE2 MET A 13 22.953 5.009 9.045 1.00 11.94 H new ATOM 0 HE3 MET A 13 23.350 3.743 8.180 1.00 11.94 H new ATOM 108 N ASP A 14 25.595 2.857 5.315 1.00 10.84 N ATOM 109 CA ASP A 14 25.112 2.807 3.941 1.00 11.02 C ATOM 110 C ASP A 14 23.682 2.315 3.914 1.00 10.60 C ATOM 111 O ASP A 14 23.404 1.164 3.556 1.00 9.95 O ATOM 112 CB ASP A 14 25.995 1.929 3.054 1.00 11.86 C ATOM 113 CG ASP A 14 25.561 1.960 1.604 1.00 13.58 C ATOM 114 OD1 ASP A 14 24.858 2.921 1.227 1.00 14.80 O ATOM 115 OD2 ASP A 14 25.895 1.019 0.858 1.00 14.35 O ATOM 0 H ASP A 14 25.321 2.216 5.818 1.00 10.84 H new ATOM 0 HA ASP A 14 25.150 3.707 3.582 1.00 11.02 H new ATOM 0 HB2 ASP A 14 26.916 2.227 3.121 1.00 11.86 H new ATOM 0 HB3 ASP A 14 25.969 1.015 3.378 1.00 11.86 H new ATOM 116 N SER A 15 22.769 3.214 4.255 1.00 10.57 N ATOM 117 CA SER A 15 21.344 2.881 4.288 1.00 11.94 C ATOM 118 C SER A 15 20.733 2.653 2.902 1.00 13.64 C ATOM 119 O SER A 15 19.681 2.029 2.787 1.00 15.11 O ATOM 120 CB SER A 15 20.550 3.964 5.029 1.00 11.30 C ATOM 121 OG SER A 15 21.130 4.248 6.285 1.00 11.98 O ATOM 0 H SER A 15 22.951 4.026 4.472 1.00 10.57 H new ATOM 0 HA SER A 15 21.283 2.039 4.765 1.00 11.94 H new ATOM 0 HB2 SER A 15 20.520 4.772 4.493 1.00 11.30 H new ATOM 0 HB3 SER A 15 19.633 3.671 5.151 1.00 11.30 H new ATOM 0 HG SER A 15 21.086 3.567 6.775 1.00 11.98 H new ATOM 122 N SER A 16 21.403 3.143 1.858 1.00 15.25 N ATOM 123 CA SER A 16 20.869 3.121 0.479 1.00 17.50 C ATOM 124 C SER A 16 20.624 1.734 -0.120 1.00 18.97 C ATOM 125 O SER A 16 19.742 1.572 -0.969 1.00 19.44 O ATOM 126 CB SER A 16 21.767 3.929 -0.455 1.00 17.36 C ATOM 127 OG SER A 16 21.793 5.287 -0.062 1.00 17.88 O ATOM 0 H SER A 16 22.183 3.500 1.923 1.00 15.25 H new ATOM 0 HA SER A 16 19.990 3.524 0.558 1.00 17.50 H new ATOM 0 HB2 SER A 16 22.666 3.566 -0.443 1.00 17.36 H new ATOM 0 HB3 SER A 16 21.444 3.856 -1.367 1.00 17.36 H new ATOM 0 HG SER A 16 22.291 5.720 -0.582 1.00 17.88 H new ATOM 128 N THR A 17 21.415 0.751 0.295 1.00 20.93 N ATOM 129 CA THR A 17 21.195 -0.631 -0.127 1.00 22.30 C ATOM 130 C THR A 17 20.726 -1.464 1.063 1.00 23.52 C ATOM 131 O THR A 17 21.144 -1.226 2.198 1.00 23.54 O ATOM 132 CB THR A 17 22.437 -1.262 -0.816 1.00 22.53 C ATOM 133 OG1 THR A 17 22.129 -2.603 -1.222 1.00 23.05 O ATOM 134 CG2 THR A 17 23.642 -1.275 0.111 1.00 21.20 C ATOM 0 H THR A 17 22.086 0.861 0.822 1.00 20.93 H new ATOM 0 HA THR A 17 20.500 -0.624 -0.803 1.00 22.30 H new ATOM 0 HB THR A 17 22.659 -0.722 -1.590 1.00 22.53 H new ATOM 0 HG1 THR A 17 22.800 -2.944 -1.596 1.00 23.05 H new ATOM 0 HG21 THR A 17 24.398 -1.674 -0.347 1.00 21.20 H new ATOM 0 HG22 THR A 17 23.863 -0.366 0.368 1.00 21.20 H new ATOM 0 HG23 THR A 17 23.435 -1.794 0.904 1.00 21.20 H new ATOM 135 N SER A 18 19.836 -2.417 0.794 1.00 24.66 N ATOM 136 CA SER A 18 19.241 -3.243 1.841 1.00 25.74 C ATOM 137 C SER A 18 20.236 -4.267 2.369 1.00 26.42 C ATOM 138 O SER A 18 20.247 -4.574 3.562 1.00 26.83 O ATOM 139 CB SER A 18 17.979 -3.943 1.326 1.00 25.69 C ATOM 140 OG SER A 18 16.972 -2.999 1.000 1.00 25.98 O ATOM 0 H SER A 18 19.561 -2.602 0.001 1.00 24.66 H new ATOM 0 HA SER A 18 18.994 -2.658 2.574 1.00 25.74 H new ATOM 0 HB2 SER A 18 18.196 -4.473 0.543 1.00 25.69 H new ATOM 0 HB3 SER A 18 17.647 -4.556 2.001 1.00 25.69 H new ATOM 0 HG SER A 18 16.291 -3.402 0.719 1.00 25.98 H new ATOM 141 N ALA A 19 21.068 -4.783 1.468 1.00 27.37 N ATOM 142 CA ALA A 19 22.057 -5.802 1.794 1.00 28.06 C ATOM 143 C ALA A 19 22.877 -6.075 0.554 1.00 28.50 C ATOM 144 O ALA A 19 24.029 -5.636 0.450 1.00 28.71 O ATOM 145 CB ALA A 19 21.373 -7.088 2.277 1.00 28.19 C ATOM 0 H ALA A 19 21.073 -4.547 0.641 1.00 27.37 H new ATOM 0 HA ALA A 19 22.629 -5.488 2.511 1.00 28.06 H new ATOM 0 HB1 ALA A 19 22.047 -7.753 2.489 1.00 28.19 H new ATOM 0 HB2 ALA A 19 20.847 -6.897 3.070 1.00 28.19 H new ATOM 0 HB3 ALA A 19 20.792 -7.428 1.578 1.00 28.19 H new ATOM 146 N ALA A 20 22.261 -6.789 -0.390 1.00 28.79 N ATOM 147 CA ALA A 20 22.884 -7.167 -1.656 1.00 28.65 C ATOM 148 C ALA A 20 24.405 -7.046 -1.595 1.00 28.52 C ATOM 149 O ALA A 20 25.086 -7.985 -1.161 1.00 28.62 O ATOM 150 CB ALA A 20 22.304 -6.339 -2.810 1.00 28.83 C ATOM 0 H ALA A 20 21.453 -7.072 -0.309 1.00 28.79 H new ATOM 0 HA ALA A 20 22.680 -8.101 -1.820 1.00 28.65 H new ATOM 0 HB1 ALA A 20 22.728 -6.602 -3.642 1.00 28.83 H new ATOM 0 HB2 ALA A 20 21.348 -6.494 -2.871 1.00 28.83 H new ATOM 0 HB3 ALA A 20 22.469 -5.397 -2.647 1.00 28.83 H new ATOM 151 N SER A 21 24.909 -5.870 -1.978 1.00 27.78 N ATOM 152 CA SER A 21 26.341 -5.581 -2.057 1.00 27.03 C ATOM 153 C SER A 21 26.989 -6.506 -3.068 1.00 26.46 C ATOM 154 O SER A 21 27.219 -7.689 -2.783 1.00 26.84 O ATOM 155 CB SER A 21 27.027 -5.707 -0.688 1.00 27.27 C ATOM 156 OG SER A 21 26.583 -4.692 0.190 1.00 26.78 O ATOM 0 H SER A 21 24.415 -5.204 -2.204 1.00 27.78 H new ATOM 0 HA SER A 21 26.449 -4.661 -2.345 1.00 27.03 H new ATOM 0 HB2 SER A 21 26.837 -6.578 -0.305 1.00 27.27 H new ATOM 0 HB3 SER A 21 27.989 -5.649 -0.797 1.00 27.27 H new ATOM 0 HG SER A 21 26.853 -4.856 0.968 1.00 26.78 H new ATOM 157 N SER A 22 27.272 -5.972 -4.255 1.00 25.50 N ATOM 158 CA SER A 22 27.900 -6.772 -5.306 1.00 24.44 C ATOM 159 C SER A 22 29.307 -7.159 -4.872 1.00 23.20 C ATOM 160 O SER A 22 29.810 -6.657 -3.866 1.00 23.03 O ATOM 161 CB SER A 22 27.931 -6.026 -6.644 1.00 24.74 C ATOM 162 OG SER A 22 29.073 -5.192 -6.758 1.00 26.61 O ATOM 0 H SER A 22 27.110 -5.155 -4.471 1.00 25.50 H new ATOM 0 HA SER A 22 27.371 -7.574 -5.440 1.00 24.44 H new ATOM 0 HB2 SER A 22 27.925 -6.667 -7.372 1.00 24.74 H new ATOM 0 HB3 SER A 22 27.128 -5.489 -6.733 1.00 24.74 H new ATOM 0 HG SER A 22 28.913 -4.447 -6.404 1.00 26.61 H new ATOM 163 N SER A 23 29.936 -8.063 -5.613 1.00 21.52 N ATOM 164 CA SER A 23 31.319 -8.452 -5.325 1.00 19.80 C ATOM 165 C SER A 23 32.261 -7.249 -5.427 1.00 18.42 C ATOM 166 O SER A 23 33.356 -7.274 -4.859 1.00 18.80 O ATOM 167 CB SER A 23 31.780 -9.594 -6.240 1.00 20.17 C ATOM 168 OG SER A 23 31.489 -9.316 -7.596 1.00 18.49 O ATOM 0 H SER A 23 29.584 -8.465 -6.287 1.00 21.52 H new ATOM 0 HA SER A 23 31.349 -8.778 -4.412 1.00 19.80 H new ATOM 0 HB2 SER A 23 32.734 -9.731 -6.133 1.00 20.17 H new ATOM 0 HB3 SER A 23 31.343 -10.419 -5.976 1.00 20.17 H new ATOM 0 HG SER A 23 31.752 -9.954 -8.076 1.00 18.49 H new ATOM 169 N ASN A 24 31.805 -6.209 -6.130 1.00 16.96 N ATOM 170 CA ASN A 24 32.546 -4.959 -6.332 1.00 15.89 C ATOM 171 C ASN A 24 32.310 -3.928 -5.235 1.00 14.69 C ATOM 172 O ASN A 24 32.982 -2.900 -5.199 1.00 14.25 O ATOM 173 CB ASN A 24 32.133 -4.293 -7.657 1.00 16.12 C ATOM 174 CG ASN A 24 32.339 -5.175 -8.864 1.00 17.15 C ATOM 175 OD1 ASN A 24 33.410 -5.742 -9.064 1.00 17.86 O ATOM 176 ND2 ASN A 24 31.314 -5.259 -9.709 1.00 18.58 N ATOM 0 H ASN A 24 31.035 -6.211 -6.513 1.00 16.96 H new ATOM 0 HA ASN A 24 33.481 -5.218 -6.329 1.00 15.89 H new ATOM 0 HB2 ASN A 24 31.198 -4.040 -7.606 1.00 16.12 H new ATOM 0 HB3 ASN A 24 32.642 -3.475 -7.772 1.00 16.12 H new ATOM 0 HD21 ASN A 24 31.387 -5.724 -10.428 1.00 18.58 H new ATOM 0 HD22 ASN A 24 30.579 -4.848 -9.535 1.00 18.58 H new ATOM 177 N TYR A 25 31.331 -4.192 -4.374 1.00 13.56 N ATOM 178 CA TYR A 25 30.843 -3.189 -3.430 1.00 12.84 C ATOM 179 C TYR A 25 31.955 -2.574 -2.579 1.00 12.22 C ATOM 180 O TYR A 25 32.090 -1.353 -2.514 1.00 12.20 O ATOM 181 CB TYR A 25 29.749 -3.798 -2.552 1.00 13.03 C ATOM 182 CG TYR A 25 29.242 -2.901 -1.447 1.00 12.81 C ATOM 183 CD1 TYR A 25 28.173 -2.029 -1.673 1.00 13.30 C ATOM 184 CD2 TYR A 25 29.813 -2.936 -0.174 1.00 13.09 C ATOM 185 CE1 TYR A 25 27.684 -1.207 -0.653 1.00 13.65 C ATOM 186 CE2 TYR A 25 29.334 -2.122 0.839 1.00 12.56 C ATOM 187 CZ TYR A 25 28.269 -1.261 0.595 1.00 13.04 C ATOM 188 OH TYR A 25 27.791 -0.447 1.597 1.00 14.29 O ATOM 0 H TYR A 25 30.933 -4.952 -4.320 1.00 13.56 H new ATOM 0 HA TYR A 25 30.473 -2.458 -3.949 1.00 12.84 H new ATOM 0 HB2 TYR A 25 29.001 -4.046 -3.117 1.00 13.03 H new ATOM 0 HB3 TYR A 25 30.089 -4.616 -2.156 1.00 13.03 H new ATOM 0 HD1 TYR A 25 27.781 -1.995 -2.516 1.00 13.30 H new ATOM 0 HD2 TYR A 25 30.523 -3.512 -0.004 1.00 13.09 H new ATOM 0 HE1 TYR A 25 26.972 -0.630 -0.814 1.00 13.65 H new ATOM 0 HE2 TYR A 25 29.724 -2.151 1.683 1.00 12.56 H new ATOM 0 HH TYR A 25 27.295 0.145 1.265 1.00 14.29 H new ATOM 189 N CYS A 26 32.758 -3.415 -1.938 1.00 11.83 N ATOM 190 CA CYS A 26 33.809 -2.893 -1.064 1.00 11.50 C ATOM 191 C CYS A 26 34.862 -2.120 -1.835 1.00 11.49 C ATOM 192 O CYS A 26 35.288 -1.060 -1.389 1.00 11.25 O ATOM 193 CB CYS A 26 34.443 -3.991 -0.223 1.00 11.09 C ATOM 194 SG CYS A 26 33.326 -4.568 1.054 1.00 11.76 S ATOM 0 H CYS A 26 32.716 -4.272 -1.991 1.00 11.83 H new ATOM 0 HA CYS A 26 33.379 -2.270 -0.458 1.00 11.50 H new ATOM 0 HB2 CYS A 26 34.694 -4.733 -0.794 1.00 11.09 H new ATOM 0 HB3 CYS A 26 35.258 -3.658 0.185 1.00 11.09 H new ATOM 195 N ASN A 27 35.274 -2.629 -2.997 1.00 11.75 N ATOM 196 CA ASN A 27 36.205 -1.873 -3.824 1.00 12.36 C ATOM 197 C ASN A 27 35.701 -0.458 -4.104 1.00 12.85 C ATOM 198 O ASN A 27 36.446 0.503 -3.950 1.00 13.21 O ATOM 199 CB ASN A 27 36.503 -2.607 -5.135 1.00 12.00 C ATOM 200 CG ASN A 27 37.211 -3.922 -4.912 1.00 12.22 C ATOM 201 OD1 ASN A 27 37.935 -4.087 -3.927 1.00 13.05 O ATOM 202 ND2 ASN A 27 37.018 -4.869 -5.834 1.00 14.05 N ATOM 0 H ASN A 27 35.032 -3.390 -3.316 1.00 11.75 H new ATOM 0 HA ASN A 27 37.031 -1.796 -3.321 1.00 12.36 H new ATOM 0 HB2 ASN A 27 35.672 -2.767 -5.609 1.00 12.00 H new ATOM 0 HB3 ASN A 27 37.049 -2.041 -5.702 1.00 12.00 H new ATOM 0 HD21 ASN A 27 37.406 -5.632 -5.754 1.00 14.05 H new ATOM 0 HD22 ASN A 27 36.505 -4.716 -6.507 1.00 14.05 H new ATOM 203 N GLN A 28 34.430 -0.340 -4.481 1.00 12.84 N ATOM 204 CA GLN A 28 33.826 0.953 -4.795 1.00 14.17 C ATOM 205 C GLN A 28 33.648 1.818 -3.547 1.00 13.58 C ATOM 206 O GLN A 28 34.024 2.993 -3.529 1.00 13.95 O ATOM 207 CB GLN A 28 32.465 0.760 -5.465 1.00 13.99 C ATOM 208 CG GLN A 28 32.472 -0.010 -6.780 1.00 16.53 C ATOM 209 CD GLN A 28 31.060 -0.225 -7.303 1.00 16.78 C ATOM 210 OE1 GLN A 28 30.132 0.491 -6.913 1.00 22.68 O ATOM 211 NE2 GLN A 28 30.885 -1.211 -8.180 1.00 20.41 N ATOM 0 H GLN A 28 33.893 -1.007 -4.562 1.00 12.84 H new ATOM 0 HA GLN A 28 34.432 1.408 -5.401 1.00 14.17 H new ATOM 0 HB2 GLN A 28 31.881 0.298 -4.843 1.00 13.99 H new ATOM 0 HB3 GLN A 28 32.076 1.634 -5.624 1.00 13.99 H new ATOM 0 HG2 GLN A 28 32.993 0.476 -7.439 1.00 16.53 H new ATOM 0 HG3 GLN A 28 32.906 -0.868 -6.652 1.00 16.53 H new ATOM 0 HE21 GLN A 28 31.555 -1.689 -8.429 1.00 20.41 H new ATOM 0 HE22 GLN A 28 30.102 -1.370 -8.498 1.00 20.41 H new ATOM 212 N MET A 29 33.072 1.226 -2.505 1.00 13.60 N ATOM 213 CA MET A 29 32.720 1.975 -1.306 1.00 13.91 C ATOM 214 C MET A 29 33.905 2.423 -0.466 1.00 13.27 C ATOM 215 O MET A 29 33.907 3.543 0.049 1.00 13.71 O ATOM 216 CB MET A 29 31.755 1.168 -0.451 1.00 13.78 C ATOM 217 CG MET A 29 30.369 1.100 -1.048 1.00 16.56 C ATOM 218 SD MET A 29 29.531 2.703 -0.981 1.00 21.95 S ATOM 219 CE MET A 29 29.065 2.775 0.743 1.00 22.06 C ATOM 0 H MET A 29 32.877 0.389 -2.473 1.00 13.60 H new ATOM 0 HA MET A 29 32.300 2.790 -1.623 1.00 13.91 H new ATOM 0 HB2 MET A 29 32.101 0.268 -0.340 1.00 13.78 H new ATOM 0 HB3 MET A 29 31.704 1.563 0.434 1.00 13.78 H new ATOM 0 HG2 MET A 29 30.428 0.804 -1.970 1.00 16.56 H new ATOM 0 HG3 MET A 29 29.843 0.439 -0.571 1.00 16.56 H new ATOM 0 HE1 MET A 29 28.202 3.210 0.827 1.00 22.06 H new ATOM 0 HE2 MET A 29 29.009 1.875 1.101 1.00 22.06 H new ATOM 0 HE3 MET A 29 29.730 3.278 1.238 1.00 22.06 H new ATOM 220 N MET A 30 34.918 1.570 -0.332 1.00 12.80 N ATOM 221 CA MET A 30 36.112 1.966 0.411 1.00 12.86 C ATOM 222 C MET A 30 36.775 3.185 -0.221 1.00 13.18 C ATOM 223 O MET A 30 37.226 4.090 0.479 1.00 13.34 O ATOM 224 CB MET A 30 37.094 0.806 0.540 1.00 12.80 C ATOM 225 CG MET A 30 36.549 -0.365 1.361 1.00 11.38 C ATOM 226 SD MET A 30 36.238 0.083 3.078 1.00 11.16 S ATOM 227 CE MET A 30 37.905 0.243 3.705 1.00 13.38 C ATOM 0 H MET A 30 34.935 0.774 -0.656 1.00 12.80 H new ATOM 0 HA MET A 30 35.833 2.214 1.306 1.00 12.86 H new ATOM 0 HB2 MET A 30 37.328 0.489 -0.346 1.00 12.80 H new ATOM 0 HB3 MET A 30 37.912 1.128 0.951 1.00 12.80 H new ATOM 0 HG2 MET A 30 35.726 -0.683 0.959 1.00 11.38 H new ATOM 0 HG3 MET A 30 37.182 -1.100 1.331 1.00 11.38 H new ATOM 0 HE1 MET A 30 37.877 0.534 4.630 1.00 13.38 H new ATOM 0 HE2 MET A 30 38.355 -0.614 3.649 1.00 13.38 H new ATOM 0 HE3 MET A 30 38.389 0.897 3.176 1.00 13.38 H new ATOM 228 N LYS A 31 36.825 3.195 -1.554 1.00 13.67 N ATOM 229 CA LYS A 31 37.344 4.332 -2.308 1.00 14.02 C ATOM 230 C LYS A 31 36.448 5.567 -2.162 1.00 13.99 C ATOM 231 O LYS A 31 36.927 6.636 -1.781 1.00 14.08 O ATOM 232 CB LYS A 31 37.518 3.950 -3.782 1.00 13.89 C ATOM 233 CG LYS A 31 38.037 5.078 -4.670 1.00 14.78 C ATOM 234 CD LYS A 31 38.222 4.607 -6.106 1.00 15.55 C ATOM 235 CE LYS A 31 38.446 5.781 -7.051 1.00 17.34 C ATOM 236 NZ LYS A 31 38.480 5.396 -8.500 1.00 19.38 N ATOM 0 H LYS A 31 36.558 2.541 -2.045 1.00 13.67 H new ATOM 0 HA LYS A 31 38.211 4.565 -1.941 1.00 14.02 H new ATOM 0 HB2 LYS A 31 38.130 3.200 -3.840 1.00 13.89 H new ATOM 0 HB3 LYS A 31 36.664 3.647 -4.129 1.00 13.89 H new ATOM 0 HG2 LYS A 31 37.415 5.822 -4.649 1.00 14.78 H new ATOM 0 HG3 LYS A 31 38.882 5.404 -4.322 1.00 14.78 H new ATOM 0 HD2 LYS A 31 38.978 4.001 -6.155 1.00 15.55 H new ATOM 0 HD3 LYS A 31 37.440 4.107 -6.388 1.00 15.55 H new ATOM 0 HE2 LYS A 31 37.741 6.433 -6.915 1.00 17.34 H new ATOM 0 HE3 LYS A 31 39.282 6.215 -6.821 1.00 17.34 H new ATOM 0 HZ1 LYS A 31 38.613 6.122 -8.997 1.00 19.38 H new ATOM 0 HZ2 LYS A 31 39.142 4.817 -8.638 1.00 19.38 H new ATOM 0 HZ3 LYS A 31 37.705 5.020 -8.726 1.00 19.38 H new ATOM 237 N SER A 32 35.150 5.408 -2.422 1.00 13.96 N ATOM 238 CA SER A 32 34.244 6.560 -2.469 1.00 14.33 C ATOM 239 C SER A 32 34.026 7.234 -1.121 1.00 13.69 C ATOM 240 O SER A 32 33.785 8.440 -1.064 1.00 14.13 O ATOM 241 CB SER A 32 32.903 6.199 -3.102 1.00 14.58 C ATOM 242 OG SER A 32 32.258 5.167 -2.399 1.00 16.69 O ATOM 0 H SER A 32 34.775 4.649 -2.573 1.00 13.96 H new ATOM 0 HA SER A 32 34.696 7.208 -3.031 1.00 14.33 H new ATOM 0 HB2 SER A 32 32.333 6.983 -3.122 1.00 14.58 H new ATOM 0 HB3 SER A 32 33.042 5.926 -4.022 1.00 14.58 H new ATOM 0 HG SER A 32 32.725 4.944 -1.737 1.00 16.69 H new ATOM 243 N ARG A 33 34.108 6.462 -0.041 1.00 12.99 N ATOM 244 CA ARG A 33 33.987 7.024 1.302 1.00 12.56 C ATOM 245 C ARG A 33 35.326 7.499 1.859 1.00 13.17 C ATOM 246 O ARG A 33 35.449 7.794 3.061 1.00 13.22 O ATOM 247 CB ARG A 33 33.349 6.011 2.255 1.00 11.96 C ATOM 248 CG ARG A 33 31.940 5.617 1.884 1.00 11.40 C ATOM 249 CD ARG A 33 31.013 6.824 1.870 1.00 9.79 C ATOM 250 NE ARG A 33 29.625 6.432 1.645 1.00 12.29 N ATOM 251 CZ ARG A 33 28.810 5.981 2.596 1.00 11.64 C ATOM 252 NH1 ARG A 33 29.236 5.884 3.855 1.00 11.53 N ATOM 253 NH2 ARG A 33 27.558 5.648 2.298 1.00 12.47 N ATOM 0 H ARG A 33 34.233 5.611 -0.064 1.00 12.99 H new ATOM 0 HA ARG A 33 33.412 7.802 1.230 1.00 12.56 H new ATOM 0 HB2 ARG A 33 33.901 5.214 2.281 1.00 11.96 H new ATOM 0 HB3 ARG A 33 33.345 6.383 3.151 1.00 11.96 H new ATOM 0 HG2 ARG A 33 31.939 5.196 1.010 1.00 11.40 H new ATOM 0 HG3 ARG A 33 31.609 4.960 2.516 1.00 11.40 H new ATOM 0 HD2 ARG A 33 31.084 7.297 2.714 1.00 9.79 H new ATOM 0 HD3 ARG A 33 31.293 7.440 1.175 1.00 9.79 H new ATOM 0 HE ARG A 33 29.314 6.497 0.846 1.00 12.29 H new ATOM 0 HH11 ARG A 33 30.040 6.113 4.056 1.00 11.53 H new ATOM 0 HH12 ARG A 33 28.707 5.592 4.467 1.00 11.53 H new ATOM 0 HH21 ARG A 33 27.274 5.724 1.490 1.00 12.47 H new ATOM 0 HH22 ARG A 33 27.032 5.357 2.913 1.00 12.47 H new ATOM 254 N ASN A 34 36.323 7.550 0.978 1.00 13.81 N ATOM 255 CA ASN A 34 37.631 8.104 1.282 1.00 14.88 C ATOM 256 C ASN A 34 38.409 7.308 2.331 1.00 14.86 C ATOM 257 O ASN A 34 39.146 7.873 3.143 1.00 15.59 O ATOM 258 CB ASN A 34 37.488 9.585 1.652 1.00 15.26 C ATOM 259 CG ASN A 34 36.786 10.390 0.557 1.00 17.80 C ATOM 260 OD1 ASN A 34 37.265 10.474 -0.575 1.00 20.66 O ATOM 261 ND2 ASN A 34 35.641 10.979 0.896 1.00 21.12 N ATOM 0 H ASN A 34 36.252 7.257 0.173 1.00 13.81 H new ATOM 0 HA ASN A 34 38.173 8.032 0.480 1.00 14.88 H new ATOM 0 HB2 ASN A 34 36.988 9.663 2.479 1.00 15.26 H new ATOM 0 HB3 ASN A 34 38.367 9.962 1.815 1.00 15.26 H new ATOM 0 HD21 ASN A 34 35.206 11.440 0.315 1.00 21.12 H new ATOM 0 HD22 ASN A 34 35.337 10.899 1.696 1.00 21.12 H new ATOM 262 N LEU A 35 38.237 5.988 2.300 1.00 14.91 N ATOM 263 CA LEU A 35 38.948 5.101 3.214 1.00 15.19 C ATOM 264 C LEU A 35 40.190 4.485 2.566 1.00 15.78 C ATOM 265 O LEU A 35 40.842 3.623 3.159 1.00 16.09 O ATOM 266 CB LEU A 35 38.007 4.008 3.734 1.00 14.73 C ATOM 267 CG LEU A 35 36.682 4.556 4.265 1.00 14.26 C ATOM 268 CD1 LEU A 35 35.813 3.432 4.785 1.00 14.11 C ATOM 269 CD2 LEU A 35 36.936 5.609 5.339 1.00 15.77 C ATOM 0 H LEU A 35 37.709 5.585 1.753 1.00 14.91 H new ATOM 0 HA LEU A 35 39.253 5.636 3.963 1.00 15.19 H new ATOM 0 HB2 LEU A 35 37.826 3.378 3.019 1.00 14.73 H new ATOM 0 HB3 LEU A 35 38.453 3.515 4.441 1.00 14.73 H new ATOM 0 HG LEU A 35 36.205 4.983 3.537 1.00 14.26 H new ATOM 0 HD11 LEU A 35 34.978 3.796 5.118 1.00 14.11 H new ATOM 0 HD12 LEU A 35 35.629 2.806 4.067 1.00 14.11 H new ATOM 0 HD13 LEU A 35 36.274 2.972 5.504 1.00 14.11 H new ATOM 0 HD21 LEU A 35 36.088 5.948 5.667 1.00 15.77 H new ATOM 0 HD22 LEU A 35 37.430 5.211 6.073 1.00 15.77 H new ATOM 0 HD23 LEU A 35 37.451 6.339 4.961 1.00 15.77 H new ATOM 270 N THR A 36 40.513 4.934 1.355 1.00 16.27 N ATOM 271 CA THR A 36 41.688 4.436 0.634 1.00 16.92 C ATOM 272 C THR A 36 42.625 5.568 0.201 1.00 17.44 C ATOM 273 O THR A 36 43.511 5.362 -0.637 1.00 17.02 O ATOM 274 CB THR A 36 41.297 3.592 -0.605 1.00 16.86 C ATOM 275 OG1 THR A 36 40.701 4.430 -1.602 1.00 16.58 O ATOM 276 CG2 THR A 36 40.333 2.464 -0.233 1.00 17.94 C ATOM 0 H THR A 36 40.063 5.531 0.930 1.00 16.27 H new ATOM 0 HA THR A 36 42.159 3.867 1.263 1.00 16.92 H new ATOM 0 HB THR A 36 42.107 3.192 -0.959 1.00 16.86 H new ATOM 0 HG1 THR A 36 40.471 5.159 -1.254 1.00 16.58 H new ATOM 0 HG21 THR A 36 40.108 1.955 -1.028 1.00 17.94 H new ATOM 0 HG22 THR A 36 40.754 1.879 0.416 1.00 17.94 H new ATOM 0 HG23 THR A 36 39.525 2.841 0.149 1.00 17.94 H new ATOM 277 N LYS A 37 42.442 6.753 0.781 1.00 18.16 N ATOM 278 CA LYS A 37 43.185 7.937 0.343 1.00 19.26 C ATOM 279 C LYS A 37 44.653 7.922 0.778 1.00 19.09 C ATOM 280 O LYS A 37 45.547 8.138 -0.047 1.00 19.23 O ATOM 281 CB LYS A 37 42.497 9.231 0.805 1.00 19.17 C ATOM 282 CG LYS A 37 42.946 10.459 0.018 1.00 20.33 C ATOM 283 CD LYS A 37 42.430 11.758 0.610 1.00 20.69 C ATOM 284 CE LYS A 37 43.132 12.944 -0.033 1.00 22.72 C ATOM 285 NZ LYS A 37 42.715 14.250 0.554 1.00 23.65 N ATOM 0 H LYS A 37 41.894 6.894 1.428 1.00 18.16 H new ATOM 0 HA LYS A 37 43.181 7.911 -0.627 1.00 19.26 H new ATOM 0 HB2 LYS A 37 41.536 9.130 0.717 1.00 19.17 H new ATOM 0 HB3 LYS A 37 42.682 9.371 1.747 1.00 19.17 H new ATOM 0 HG2 LYS A 37 43.915 10.484 -0.010 1.00 20.33 H new ATOM 0 HG3 LYS A 37 42.638 10.381 -0.898 1.00 20.33 H new ATOM 0 HD2 LYS A 37 41.472 11.826 0.471 1.00 20.69 H new ATOM 0 HD3 LYS A 37 42.579 11.766 1.568 1.00 20.69 H new ATOM 0 HE2 LYS A 37 44.091 12.840 0.068 1.00 22.72 H new ATOM 0 HE3 LYS A 37 42.946 12.948 -0.985 1.00 22.72 H new ATOM 0 HZ1 LYS A 37 43.151 14.911 0.147 1.00 23.65 H new ATOM 0 HZ2 LYS A 37 41.839 14.360 0.442 1.00 23.65 H new ATOM 0 HZ3 LYS A 37 42.906 14.260 1.423 1.00 23.65 H new ATOM 286 N ASP A 38 44.895 7.672 2.065 1.00 19.24 N ATOM 287 CA ASP A 38 46.254 7.719 2.621 1.00 19.57 C ATOM 288 C ASP A 38 46.917 6.344 2.666 1.00 18.89 C ATOM 289 O ASP A 38 48.141 6.227 2.545 1.00 18.91 O ATOM 290 CB ASP A 38 46.242 8.348 4.018 1.00 20.35 C ATOM 291 CG ASP A 38 45.893 9.828 3.995 1.00 21.80 C ATOM 292 OD1 ASP A 38 46.430 10.563 3.138 1.00 23.56 O ATOM 293 OD2 ASP A 38 45.087 10.255 4.848 1.00 24.90 O ATOM 0 H ASP A 38 44.285 7.472 2.637 1.00 19.24 H new ATOM 0 HA ASP A 38 46.783 8.272 2.025 1.00 19.57 H new ATOM 0 HB2 ASP A 38 45.602 7.878 4.574 1.00 20.35 H new ATOM 0 HB3 ASP A 38 47.113 8.232 4.428 1.00 20.35 H new ATOM 294 N ARG A 39 46.088 5.321 2.856 1.00 18.34 N ATOM 295 CA ARG A 39 46.485 3.917 2.843 1.00 17.84 C ATOM 296 C ARG A 39 45.221 3.125 2.544 1.00 17.30 C ATOM 297 O ARG A 39 44.129 3.689 2.525 1.00 17.20 O ATOM 298 CB ARG A 39 47.053 3.483 4.197 1.00 17.93 C ATOM 299 CG ARG A 39 46.089 3.650 5.368 1.00 19.98 C ATOM 300 CD ARG A 39 46.438 2.728 6.521 1.00 22.63 C ATOM 301 NE ARG A 39 45.406 2.745 7.555 1.00 24.50 N ATOM 302 CZ ARG A 39 45.350 1.899 8.581 1.00 24.75 C ATOM 303 NH1 ARG A 39 44.370 1.996 9.463 1.00 25.04 N ATOM 304 NH2 ARG A 39 46.272 0.953 8.724 1.00 25.76 N ATOM 0 H ARG A 39 45.247 5.430 3.001 1.00 18.34 H new ATOM 0 HA ARG A 39 47.179 3.767 2.182 1.00 17.84 H new ATOM 0 HB2 ARG A 39 47.318 2.552 4.141 1.00 17.93 H new ATOM 0 HB3 ARG A 39 47.856 3.996 4.378 1.00 17.93 H new ATOM 0 HG2 ARG A 39 46.107 4.571 5.673 1.00 19.98 H new ATOM 0 HG3 ARG A 39 45.184 3.468 5.070 1.00 19.98 H new ATOM 0 HD2 ARG A 39 46.550 1.823 6.190 1.00 22.63 H new ATOM 0 HD3 ARG A 39 47.287 2.997 6.906 1.00 22.63 H new ATOM 0 HE ARG A 39 44.791 3.344 7.497 1.00 24.50 H new ATOM 0 HH11 ARG A 39 43.770 2.605 9.373 1.00 25.04 H new ATOM 0 HH12 ARG A 39 44.333 1.450 10.126 1.00 25.04 H new ATOM 0 HH21 ARG A 39 46.910 0.884 8.152 1.00 25.76 H new ATOM 0 HH22 ARG A 39 46.231 0.409 9.389 1.00 25.76 H new ATOM 305 N CYS A 40 45.356 1.827 2.310 1.00 16.48 N ATOM 306 CA CYS A 40 44.173 0.981 2.243 1.00 15.76 C ATOM 307 C CYS A 40 43.765 0.694 3.680 1.00 15.47 C ATOM 308 O CYS A 40 44.506 0.019 4.397 1.00 16.06 O ATOM 309 CB CYS A 40 44.470 -0.330 1.517 1.00 15.65 C ATOM 310 SG CYS A 40 45.186 -0.169 -0.140 1.00 14.75 S ATOM 0 H CYS A 40 46.105 1.423 2.190 1.00 16.48 H new ATOM 0 HA CYS A 40 43.466 1.426 1.750 1.00 15.76 H new ATOM 0 HB2 CYS A 40 45.077 -0.853 2.064 1.00 15.65 H new ATOM 0 HB3 CYS A 40 43.645 -0.835 1.447 1.00 15.65 H new ATOM 311 N LYS A 41 42.625 1.231 4.121 1.00 14.92 N ATOM 312 CA LYS A 41 42.104 0.850 5.432 1.00 14.39 C ATOM 313 C LYS A 41 41.895 -0.663 5.381 1.00 14.48 C ATOM 314 O LYS A 41 41.225 -1.154 4.482 1.00 14.21 O ATOM 315 CB LYS A 41 40.791 1.563 5.763 1.00 14.30 C ATOM 316 CG LYS A 41 40.342 1.329 7.193 1.00 15.00 C ATOM 317 CD LYS A 41 39.086 2.085 7.547 1.00 13.78 C ATOM 318 CE LYS A 41 38.731 1.848 9.017 1.00 15.80 C ATOM 319 NZ LYS A 41 37.390 2.371 9.405 1.00 16.58 N ATOM 0 H LYS A 41 42.150 1.803 3.688 1.00 14.92 H new ATOM 0 HA LYS A 41 42.727 1.107 6.129 1.00 14.39 H new ATOM 0 HB2 LYS A 41 40.898 2.515 5.613 1.00 14.30 H new ATOM 0 HB3 LYS A 41 40.099 1.256 5.156 1.00 14.30 H new ATOM 0 HG2 LYS A 41 40.192 0.380 7.328 1.00 15.00 H new ATOM 0 HG3 LYS A 41 41.053 1.593 7.797 1.00 15.00 H new ATOM 0 HD2 LYS A 41 39.213 3.033 7.386 1.00 13.78 H new ATOM 0 HD3 LYS A 41 38.355 1.796 6.979 1.00 13.78 H new ATOM 0 HE2 LYS A 41 38.762 0.896 9.199 1.00 15.80 H new ATOM 0 HE3 LYS A 41 39.405 2.266 9.575 1.00 15.80 H new ATOM 0 HZ1 LYS A 41 37.219 2.152 10.251 1.00 16.58 H new ATOM 0 HZ2 LYS A 41 37.381 3.257 9.320 1.00 16.58 H new ATOM 0 HZ3 LYS A 41 36.768 2.016 8.876 1.00 16.58 H new ATOM 320 N PRO A 42 42.528 -1.408 6.299 1.00 14.77 N ATOM 321 CA PRO A 42 42.527 -2.875 6.248 1.00 15.00 C ATOM 322 C PRO A 42 41.150 -3.554 6.360 1.00 14.87 C ATOM 323 O PRO A 42 40.881 -4.514 5.639 1.00 15.92 O ATOM 324 CB PRO A 42 43.437 -3.267 7.420 1.00 15.45 C ATOM 325 CG PRO A 42 44.255 -2.059 7.689 1.00 16.03 C ATOM 326 CD PRO A 42 43.362 -0.901 7.404 1.00 14.90 C ATOM 0 HA PRO A 42 42.828 -3.178 5.377 1.00 15.00 H new ATOM 0 HB2 PRO A 42 42.917 -3.520 8.199 1.00 15.45 H new ATOM 0 HB3 PRO A 42 43.996 -4.026 7.192 1.00 15.45 H new ATOM 0 HG2 PRO A 42 44.563 -2.044 8.609 1.00 16.03 H new ATOM 0 HG3 PRO A 42 45.044 -2.039 7.125 1.00 16.03 H new ATOM 0 HD2 PRO A 42 42.829 -0.657 8.177 1.00 14.90 H new ATOM 0 HD3 PRO A 42 43.864 -0.112 7.145 1.00 14.90 H new ATOM 327 N VAL A 43 40.306 -3.072 7.266 1.00 13.97 N ATOM 328 CA VAL A 43 38.998 -3.685 7.530 1.00 13.61 C ATOM 329 C VAL A 43 38.009 -2.568 7.845 1.00 12.58 C ATOM 330 O VAL A 43 38.356 -1.598 8.525 1.00 13.34 O ATOM 331 CB VAL A 43 39.057 -4.677 8.729 1.00 14.05 C ATOM 332 CG1 VAL A 43 37.698 -5.315 8.984 1.00 16.12 C ATOM 333 CG2 VAL A 43 40.113 -5.755 8.510 1.00 15.34 C ATOM 0 H VAL A 43 40.472 -2.379 7.748 1.00 13.97 H new ATOM 0 HA VAL A 43 38.723 -4.189 6.748 1.00 13.61 H new ATOM 0 HB VAL A 43 39.307 -4.163 9.513 1.00 14.05 H new ATOM 0 HG11 VAL A 43 37.763 -5.927 9.734 1.00 16.12 H new ATOM 0 HG12 VAL A 43 37.049 -4.624 9.187 1.00 16.12 H new ATOM 0 HG13 VAL A 43 37.415 -5.802 8.194 1.00 16.12 H new ATOM 0 HG21 VAL A 43 40.125 -6.356 9.272 1.00 15.34 H new ATOM 0 HG22 VAL A 43 39.902 -6.256 7.707 1.00 15.34 H new ATOM 0 HG23 VAL A 43 40.984 -5.340 8.412 1.00 15.34 H new ATOM 334 N ASN A 44 36.786 -2.693 7.342 1.00 12.01 N ATOM 335 CA ASN A 44 35.765 -1.687 7.603 1.00 10.82 C ATOM 336 C ASN A 44 34.400 -2.280 7.362 1.00 10.66 C ATOM 337 O ASN A 44 34.222 -3.006 6.387 1.00 12.36 O ATOM 338 CB ASN A 44 35.954 -0.495 6.666 1.00 11.43 C ATOM 339 CG ASN A 44 35.049 0.656 6.999 1.00 11.23 C ATOM 340 OD1 ASN A 44 35.264 1.358 7.992 1.00 12.64 O ATOM 341 ND2 ASN A 44 34.030 0.873 6.168 1.00 10.97 N ATOM 0 H ASN A 44 36.528 -3.349 6.850 1.00 12.01 H new ATOM 0 HA ASN A 44 35.843 -1.393 8.524 1.00 10.82 H new ATOM 0 HB2 ASN A 44 36.877 -0.198 6.709 1.00 11.43 H new ATOM 0 HB3 ASN A 44 35.789 -0.777 5.753 1.00 11.43 H new ATOM 0 HD21 ASN A 44 33.488 1.525 6.313 1.00 10.97 H new ATOM 0 HD22 ASN A 44 33.914 0.361 5.487 1.00 10.97 H new ATOM 342 N THR A 45 33.443 -1.950 8.222 1.00 10.07 N ATOM 343 CA THR A 45 32.076 -2.459 8.102 1.00 10.25 C ATOM 344 C THR A 45 31.091 -1.350 7.763 1.00 10.20 C ATOM 345 O THR A 45 31.164 -0.259 8.331 1.00 10.48 O ATOM 346 CB THR A 45 31.647 -3.127 9.417 1.00 9.90 C ATOM 347 OG1 THR A 45 32.524 -4.221 9.691 1.00 12.05 O ATOM 348 CG2 THR A 45 30.195 -3.628 9.342 1.00 12.09 C ATOM 0 H THR A 45 33.565 -1.425 8.892 1.00 10.07 H new ATOM 0 HA THR A 45 32.069 -3.107 7.380 1.00 10.25 H new ATOM 0 HB THR A 45 31.698 -2.471 10.130 1.00 9.90 H new ATOM 0 HG1 THR A 45 32.273 -4.897 9.260 1.00 12.05 H new ATOM 0 HG21 THR A 45 29.952 -4.044 10.184 1.00 12.09 H new ATOM 0 HG22 THR A 45 29.603 -2.880 9.169 1.00 12.09 H new ATOM 0 HG23 THR A 45 30.113 -4.277 8.626 1.00 12.09 H new ATOM 349 N PHE A 46 30.176 -1.640 6.835 1.00 9.65 N ATOM 350 CA PHE A 46 29.099 -0.731 6.486 1.00 10.70 C ATOM 351 C PHE A 46 27.794 -1.328 6.959 1.00 11.13 C ATOM 352 O PHE A 46 27.575 -2.538 6.838 1.00 11.71 O ATOM 353 CB PHE A 46 29.043 -0.517 4.969 1.00 10.60 C ATOM 354 CG PHE A 46 30.206 0.269 4.424 1.00 11.44 C ATOM 355 CD1 PHE A 46 30.233 1.656 4.520 1.00 12.32 C ATOM 356 CD2 PHE A 46 31.275 -0.376 3.808 1.00 11.69 C ATOM 357 CE1 PHE A 46 31.309 2.392 4.018 1.00 12.73 C ATOM 358 CE2 PHE A 46 32.355 0.355 3.291 1.00 12.27 C ATOM 359 CZ PHE A 46 32.365 1.744 3.397 1.00 10.90 C ATOM 0 H PHE A 46 30.169 -2.376 6.391 1.00 9.65 H new ATOM 0 HA PHE A 46 29.253 0.127 6.911 1.00 10.70 H new ATOM 0 HB2 PHE A 46 29.013 -1.381 4.530 1.00 10.60 H new ATOM 0 HB3 PHE A 46 28.219 -0.057 4.746 1.00 10.60 H new ATOM 0 HD1 PHE A 46 29.524 2.101 4.925 1.00 12.32 H new ATOM 0 HD2 PHE A 46 31.273 -1.303 3.738 1.00 11.69 H new ATOM 0 HE1 PHE A 46 31.317 3.318 4.101 1.00 12.73 H new ATOM 0 HE2 PHE A 46 33.062 -0.086 2.879 1.00 12.27 H new ATOM 0 HZ PHE A 46 33.077 2.234 3.053 1.00 10.90 H new ATOM 360 N VAL A 47 26.928 -0.475 7.495 1.00 11.22 N ATOM 361 CA VAL A 47 25.657 -0.914 8.055 1.00 11.91 C ATOM 362 C VAL A 47 24.514 -0.424 7.171 1.00 12.02 C ATOM 363 O VAL A 47 24.424 0.768 6.869 1.00 12.54 O ATOM 364 CB VAL A 47 25.474 -0.404 9.502 1.00 11.02 C ATOM 365 CG1 VAL A 47 24.191 -0.973 10.107 1.00 12.43 C ATOM 366 CG2 VAL A 47 26.668 -0.827 10.355 1.00 11.50 C ATOM 0 H VAL A 47 27.061 0.373 7.544 1.00 11.22 H new ATOM 0 HA VAL A 47 25.652 -1.884 8.083 1.00 11.91 H new ATOM 0 HB VAL A 47 25.414 0.564 9.484 1.00 11.02 H new ATOM 0 HG11 VAL A 47 24.088 -0.646 11.014 1.00 12.43 H new ATOM 0 HG12 VAL A 47 23.430 -0.693 9.574 1.00 12.43 H new ATOM 0 HG13 VAL A 47 24.240 -1.942 10.117 1.00 12.43 H new ATOM 0 HG21 VAL A 47 26.548 -0.505 11.262 1.00 11.50 H new ATOM 0 HG22 VAL A 47 26.734 -1.795 10.362 1.00 11.50 H new ATOM 0 HG23 VAL A 47 27.481 -0.451 9.983 1.00 11.50 H new ATOM 367 N HIS A 48 23.642 -1.358 6.790 1.00 12.42 N ATOM 368 CA HIS A 48 22.505 -1.102 5.907 1.00 13.26 C ATOM 369 C HIS A 48 21.237 -1.112 6.716 1.00 13.30 C ATOM 370 O HIS A 48 20.364 -1.972 6.530 1.00 14.79 O ATOM 371 CB HIS A 48 22.399 -2.193 4.862 1.00 12.69 C ATOM 372 CG HIS A 48 23.685 -2.479 4.167 1.00 13.36 C ATOM 373 ND1 HIS A 48 24.384 -1.515 3.475 1.00 15.43 N ATOM 374 CD2 HIS A 48 24.404 -3.619 4.066 1.00 13.11 C ATOM 375 CE1 HIS A 48 25.485 -2.053 2.977 1.00 16.58 C ATOM 376 NE2 HIS A 48 25.509 -3.336 3.303 1.00 14.44 N ATOM 0 H HIS A 48 23.697 -2.178 7.044 1.00 12.42 H new ATOM 0 HA HIS A 48 22.634 -0.242 5.477 1.00 13.26 H new ATOM 0 HB2 HIS A 48 22.081 -3.006 5.285 1.00 12.69 H new ATOM 0 HB3 HIS A 48 21.734 -1.937 4.204 1.00 12.69 H new ATOM 0 HD1 HIS A 48 24.143 -0.695 3.382 1.00 15.43 H new ATOM 0 HD2 HIS A 48 24.190 -4.442 4.443 1.00 13.11 H new ATOM 0 HE1 HIS A 48 26.133 -1.606 2.482 1.00 16.58 H new ATOM 377 N GLU A 49 21.154 -0.159 7.627 1.00 13.37 N ATOM 378 CA GLU A 49 19.943 0.105 8.376 1.00 12.94 C ATOM 379 C GLU A 49 19.823 1.612 8.397 1.00 13.18 C ATOM 380 O GLU A 49 20.769 2.323 8.032 1.00 13.44 O ATOM 381 CB GLU A 49 20.043 -0.436 9.807 1.00 13.47 C ATOM 382 CG GLU A 49 20.299 -1.949 9.899 1.00 13.77 C ATOM 383 CD GLU A 49 19.145 -2.819 9.412 1.00 13.79 C ATOM 384 OE1 GLU A 49 17.992 -2.340 9.318 1.00 15.18 O ATOM 385 OE2 GLU A 49 19.398 -4.005 9.130 1.00 13.83 O ATOM 0 H GLU A 49 21.809 0.360 7.830 1.00 13.37 H new ATOM 0 HA GLU A 49 19.173 -0.327 7.973 1.00 12.94 H new ATOM 0 HB2 GLU A 49 20.758 0.030 10.268 1.00 13.47 H new ATOM 0 HB3 GLU A 49 19.220 -0.229 10.277 1.00 13.47 H new ATOM 0 HG2 GLU A 49 21.091 -2.163 9.381 1.00 13.77 H new ATOM 0 HG3 GLU A 49 20.493 -2.177 10.822 1.00 13.77 H new ATOM 386 N SER A 50 18.673 2.114 8.822 1.00 12.96 N ATOM 387 CA SER A 50 18.467 3.546 8.882 1.00 13.86 C ATOM 388 C SER A 50 19.391 4.163 9.913 1.00 13.45 C ATOM 389 O SER A 50 19.793 3.512 10.887 1.00 13.27 O ATOM 390 CB SER A 50 17.027 3.864 9.241 1.00 12.89 C ATOM 391 OG SER A 50 16.759 3.499 10.585 1.00 14.84 O ATOM 0 H SER A 50 18.002 1.642 9.079 1.00 12.96 H new ATOM 0 HA SER A 50 18.664 3.918 8.008 1.00 13.86 H new ATOM 0 HB2 SER A 50 16.859 4.811 9.117 1.00 12.89 H new ATOM 0 HB3 SER A 50 16.427 3.389 8.645 1.00 12.89 H new ATOM 0 HG SER A 50 15.988 3.756 10.797 1.00 14.84 H new ATOM 392 N LEU A 51 19.730 5.432 9.704 1.00 13.55 N ATOM 393 CA LEU A 51 20.507 6.171 10.698 1.00 13.50 C ATOM 394 C LEU A 51 19.847 6.123 12.080 1.00 13.50 C ATOM 395 O LEU A 51 20.519 5.940 13.084 1.00 13.17 O ATOM 396 CB LEU A 51 20.731 7.632 10.262 1.00 13.90 C ATOM 397 CG LEU A 51 21.668 8.436 11.175 1.00 14.57 C ATOM 398 CD1 LEU A 51 23.055 7.807 11.302 1.00 15.17 C ATOM 399 CD2 LEU A 51 21.789 9.864 10.702 1.00 13.84 C ATOM 0 H LEU A 51 19.523 5.881 9.000 1.00 13.55 H new ATOM 0 HA LEU A 51 21.371 5.736 10.762 1.00 13.50 H new ATOM 0 HB2 LEU A 51 21.093 7.637 9.362 1.00 13.90 H new ATOM 0 HB3 LEU A 51 19.872 8.081 10.224 1.00 13.90 H new ATOM 0 HG LEU A 51 21.264 8.424 12.057 1.00 14.57 H new ATOM 0 HD11 LEU A 51 23.605 8.351 11.887 1.00 15.17 H new ATOM 0 HD12 LEU A 51 22.973 6.915 11.674 1.00 15.17 H new ATOM 0 HD13 LEU A 51 23.468 7.755 10.426 1.00 15.17 H new ATOM 0 HD21 LEU A 51 22.384 10.351 11.293 1.00 13.84 H new ATOM 0 HD22 LEU A 51 22.146 9.877 9.800 1.00 13.84 H new ATOM 0 HD23 LEU A 51 20.914 10.282 10.709 1.00 13.84 H new ATOM 400 N ALA A 52 18.528 6.283 12.136 1.00 13.91 N ATOM 401 CA ALA A 52 17.831 6.271 13.415 1.00 13.57 C ATOM 402 C ALA A 52 18.010 4.926 14.120 1.00 13.62 C ATOM 403 O ALA A 52 18.212 4.867 15.347 1.00 13.85 O ATOM 404 CB ALA A 52 16.340 6.595 13.241 1.00 15.16 C ATOM 0 H ALA A 52 18.023 6.399 11.450 1.00 13.91 H new ATOM 0 HA ALA A 52 18.224 6.962 13.970 1.00 13.57 H new ATOM 0 HB1 ALA A 52 15.902 6.580 14.106 1.00 15.16 H new ATOM 0 HB2 ALA A 52 16.244 7.476 12.846 1.00 15.16 H new ATOM 0 HB3 ALA A 52 15.931 5.934 12.661 1.00 15.16 H new ATOM 405 N ASP A 53 17.945 3.835 13.355 1.00 13.80 N ATOM 406 CA ASP A 53 18.098 2.507 13.969 1.00 13.98 C ATOM 407 C ASP A 53 19.506 2.289 14.511 1.00 13.61 C ATOM 408 O ASP A 53 19.679 1.679 15.564 1.00 13.69 O ATOM 409 CB ASP A 53 17.731 1.367 13.012 1.00 14.44 C ATOM 410 CG ASP A 53 16.233 1.186 12.859 1.00 16.05 C ATOM 411 OD1 ASP A 53 15.454 1.868 13.560 1.00 18.70 O ATOM 412 OD2 ASP A 53 15.836 0.347 12.028 1.00 18.03 O ATOM 0 H ASP A 53 17.817 3.836 12.505 1.00 13.80 H new ATOM 0 HA ASP A 53 17.472 2.490 14.710 1.00 13.98 H new ATOM 0 HB2 ASP A 53 18.122 1.543 12.142 1.00 14.44 H new ATOM 0 HB3 ASP A 53 18.121 0.540 13.336 1.00 14.44 H new ATOM 413 N VAL A 54 20.509 2.781 13.791 1.00 13.10 N ATOM 414 CA VAL A 54 21.883 2.644 14.262 1.00 12.26 C ATOM 415 C VAL A 54 22.130 3.583 15.453 1.00 12.03 C ATOM 416 O VAL A 54 22.749 3.186 16.449 1.00 11.56 O ATOM 417 CB VAL A 54 22.886 2.857 13.108 1.00 11.83 C ATOM 418 CG1 VAL A 54 24.331 2.782 13.632 1.00 13.33 C ATOM 419 CG2 VAL A 54 22.650 1.787 12.062 1.00 12.71 C ATOM 0 H VAL A 54 20.419 3.191 13.040 1.00 13.10 H new ATOM 0 HA VAL A 54 22.024 1.738 14.579 1.00 12.26 H new ATOM 0 HB VAL A 54 22.755 3.735 12.717 1.00 11.83 H new ATOM 0 HG11 VAL A 54 24.949 2.917 12.897 1.00 13.33 H new ATOM 0 HG12 VAL A 54 24.469 3.471 14.301 1.00 13.33 H new ATOM 0 HG13 VAL A 54 24.487 1.911 14.029 1.00 13.33 H new ATOM 0 HG21 VAL A 54 23.274 1.908 11.329 1.00 12.71 H new ATOM 0 HG22 VAL A 54 22.783 0.912 12.458 1.00 12.71 H new ATOM 0 HG23 VAL A 54 21.742 1.856 11.728 1.00 12.71 H new ATOM 420 N GLN A 55 21.601 4.804 15.388 1.00 12.46 N ATOM 421 CA GLN A 55 21.743 5.735 16.500 1.00 12.01 C ATOM 422 C GLN A 55 21.101 5.170 17.763 1.00 11.96 C ATOM 423 O GLN A 55 21.598 5.375 18.875 1.00 12.33 O ATOM 424 CB GLN A 55 21.139 7.093 16.138 1.00 12.31 C ATOM 425 CG GLN A 55 21.983 7.855 15.119 1.00 11.37 C ATOM 426 CD GLN A 55 21.370 9.178 14.673 1.00 12.21 C ATOM 427 OE1 GLN A 55 22.092 10.112 14.297 1.00 14.92 O ATOM 428 NE2 GLN A 55 20.045 9.249 14.675 1.00 12.54 N ATOM 0 H GLN A 55 21.161 5.108 14.715 1.00 12.46 H new ATOM 0 HA GLN A 55 22.688 5.861 16.678 1.00 12.01 H new ATOM 0 HB2 GLN A 55 20.247 6.962 15.781 1.00 12.31 H new ATOM 0 HB3 GLN A 55 21.047 7.628 16.942 1.00 12.31 H new ATOM 0 HG2 GLN A 55 22.858 8.027 15.501 1.00 11.37 H new ATOM 0 HG3 GLN A 55 22.119 7.293 14.340 1.00 11.37 H new ATOM 0 HE21 GLN A 55 19.579 8.578 14.944 1.00 12.54 H new ATOM 0 HE22 GLN A 55 19.652 9.966 14.407 1.00 12.54 H new ATOM 429 N ALA A 56 20.001 4.439 17.572 1.00 11.28 N ATOM 430 CA ALA A 56 19.256 3.850 18.689 1.00 10.51 C ATOM 431 C ALA A 56 20.095 2.844 19.482 1.00 9.98 C ATOM 432 O ALA A 56 19.824 2.594 20.654 1.00 10.82 O ATOM 433 CB ALA A 56 17.962 3.200 18.182 1.00 11.63 C ATOM 0 H ALA A 56 19.667 4.271 16.797 1.00 11.28 H new ATOM 0 HA ALA A 56 19.030 4.570 19.298 1.00 10.51 H new ATOM 0 HB1 ALA A 56 17.479 2.814 18.930 1.00 11.63 H new ATOM 0 HB2 ALA A 56 17.409 3.871 17.752 1.00 11.63 H new ATOM 0 HB3 ALA A 56 18.179 2.503 17.543 1.00 11.63 H new ATOM 434 N VAL A 57 21.107 2.263 18.842 1.00 7.69 N ATOM 435 CA VAL A 57 21.955 1.265 19.498 1.00 6.87 C ATOM 436 C VAL A 57 22.668 1.841 20.724 1.00 6.52 C ATOM 437 O VAL A 57 22.973 1.095 21.662 1.00 6.62 O ATOM 438 CB VAL A 57 22.942 0.618 18.486 1.00 6.43 C ATOM 439 CG1 VAL A 57 23.853 -0.403 19.181 1.00 6.16 C ATOM 440 CG2 VAL A 57 22.165 -0.081 17.388 1.00 7.59 C ATOM 0 H VAL A 57 21.321 2.432 18.026 1.00 7.69 H new ATOM 0 HA VAL A 57 21.379 0.557 19.827 1.00 6.87 H new ATOM 0 HB VAL A 57 23.492 1.323 18.109 1.00 6.43 H new ATOM 0 HG11 VAL A 57 24.458 -0.792 18.531 1.00 6.16 H new ATOM 0 HG12 VAL A 57 24.366 0.040 19.875 1.00 6.16 H new ATOM 0 HG13 VAL A 57 23.311 -1.103 19.577 1.00 6.16 H new ATOM 0 HG21 VAL A 57 22.784 -0.483 16.759 1.00 7.59 H new ATOM 0 HG22 VAL A 57 21.605 -0.771 17.777 1.00 7.59 H new ATOM 0 HG23 VAL A 57 21.608 0.564 16.925 1.00 7.59 H new ATOM 441 N CYS A 58 22.892 3.158 20.733 1.00 5.91 N ATOM 442 CA CYS A 58 23.562 3.813 21.866 1.00 6.34 C ATOM 443 C CYS A 58 22.755 3.740 23.157 1.00 6.25 C ATOM 444 O CYS A 58 23.290 4.068 24.211 1.00 7.14 O ATOM 445 CB CYS A 58 23.876 5.278 21.558 1.00 6.33 C ATOM 446 SG CYS A 58 25.053 5.507 20.226 1.00 7.46 S ATOM 0 H CYS A 58 22.665 3.690 20.096 1.00 5.91 H new ATOM 0 HA CYS A 58 24.388 3.321 21.998 1.00 6.34 H new ATOM 0 HB2 CYS A 58 23.051 5.735 21.330 1.00 6.33 H new ATOM 0 HB3 CYS A 58 24.222 5.700 22.360 1.00 6.33 H new ATOM 447 N SER A 59 21.485 3.313 23.072 1.00 6.81 N ATOM 448 CA SER A 59 20.637 3.140 24.267 1.00 7.40 C ATOM 449 C SER A 59 20.303 1.665 24.484 1.00 7.63 C ATOM 450 O SER A 59 19.438 1.326 25.299 1.00 7.88 O ATOM 451 CB SER A 59 19.345 3.915 24.098 1.00 8.61 C ATOM 452 OG SER A 59 18.507 3.225 23.178 1.00 12.65 O ATOM 0 H SER A 59 21.095 3.118 22.331 1.00 6.81 H new ATOM 0 HA SER A 59 21.126 3.472 25.036 1.00 7.40 H new ATOM 0 HB2 SER A 59 18.897 4.010 24.953 1.00 8.61 H new ATOM 0 HB3 SER A 59 19.531 4.810 23.775 1.00 8.61 H new ATOM 0 HG SER A 59 17.729 3.540 23.217 1.00 12.65 H new ATOM 453 N GLN A 60 21.006 0.790 23.768 1.00 6.86 N ATOM 454 CA GLN A 60 20.745 -0.656 23.822 1.00 6.76 C ATOM 455 C GLN A 60 21.726 -1.368 24.768 1.00 7.16 C ATOM 456 O GLN A 60 21.936 -0.849 25.862 1.00 7.92 O ATOM 457 CB GLN A 60 20.598 -1.234 22.409 1.00 6.88 C ATOM 458 CG GLN A 60 19.430 -0.545 21.691 1.00 7.05 C ATOM 459 CD GLN A 60 19.170 -1.040 20.279 1.00 7.93 C ATOM 460 OE1 GLN A 60 19.673 -2.069 19.843 1.00 8.59 O ATOM 461 NE2 GLN A 60 18.363 -0.281 19.551 1.00 8.72 N ATOM 0 H GLN A 60 21.646 1.012 23.238 1.00 6.86 H new ATOM 0 HA GLN A 60 19.883 -0.828 24.233 1.00 6.76 H new ATOM 0 HB2 GLN A 60 21.419 -1.104 21.909 1.00 6.88 H new ATOM 0 HB3 GLN A 60 20.443 -2.190 22.455 1.00 6.88 H new ATOM 0 HG2 GLN A 60 18.625 -0.669 22.217 1.00 7.05 H new ATOM 0 HG3 GLN A 60 19.604 0.409 21.659 1.00 7.05 H new ATOM 0 HE21 GLN A 60 18.027 0.435 19.888 1.00 8.72 H new ATOM 0 HE22 GLN A 60 18.176 -0.505 18.742 1.00 8.72 H new ATOM 462 N LYS A 61 22.252 -2.546 24.425 1.00 7.10 N ATOM 463 CA LYS A 61 22.956 -3.348 25.444 1.00 6.97 C ATOM 464 C LYS A 61 24.373 -2.836 25.672 1.00 6.35 C ATOM 465 O LYS A 61 25.207 -2.927 24.795 1.00 6.92 O ATOM 466 CB LYS A 61 22.990 -4.830 25.076 1.00 6.82 C ATOM 467 CG LYS A 61 23.622 -5.687 26.153 1.00 8.41 C ATOM 468 CD LYS A 61 23.768 -7.125 25.700 1.00 13.14 C ATOM 469 CE LYS A 61 24.418 -7.967 26.790 1.00 16.03 C ATOM 470 NZ LYS A 61 24.700 -9.336 26.288 1.00 20.02 N ATOM 0 H LYS A 61 22.218 -2.893 23.639 1.00 7.10 H new ATOM 0 HA LYS A 61 22.455 -3.252 26.269 1.00 6.97 H new ATOM 0 HB2 LYS A 61 22.085 -5.139 24.912 1.00 6.82 H new ATOM 0 HB3 LYS A 61 23.483 -4.942 24.248 1.00 6.82 H new ATOM 0 HG2 LYS A 61 24.493 -5.329 26.384 1.00 8.41 H new ATOM 0 HG3 LYS A 61 23.079 -5.653 26.956 1.00 8.41 H new ATOM 0 HD2 LYS A 61 22.897 -7.490 25.479 1.00 13.14 H new ATOM 0 HD3 LYS A 61 24.304 -7.162 24.893 1.00 13.14 H new ATOM 0 HE2 LYS A 61 25.242 -7.547 27.083 1.00 16.03 H new ATOM 0 HE3 LYS A 61 23.833 -8.014 27.563 1.00 16.03 H new ATOM 0 HZ1 LYS A 61 25.264 -9.745 26.842 1.00 20.02 H new ATOM 0 HZ2 LYS A 61 23.941 -9.798 26.244 1.00 20.02 H new ATOM 0 HZ3 LYS A 61 25.064 -9.286 25.477 1.00 20.02 H new ATOM 471 N ASN A 62 24.652 -2.314 26.861 1.00 6.45 N ATOM 472 CA ASN A 62 25.992 -1.809 27.169 1.00 6.04 C ATOM 473 C ASN A 62 26.934 -3.000 27.320 1.00 6.02 C ATOM 474 O ASN A 62 26.641 -3.935 28.081 1.00 7.04 O ATOM 475 CB ASN A 62 25.919 -0.983 28.463 1.00 6.09 C ATOM 476 CG ASN A 62 27.207 -0.200 28.789 1.00 7.77 C ATOM 477 OD1 ASN A 62 27.449 0.112 29.966 1.00 9.19 O ATOM 478 ND2 ASN A 62 28.001 0.150 27.778 1.00 8.43 N ATOM 0 H ASN A 62 24.084 -2.242 27.503 1.00 6.45 H new ATOM 0 HA ASN A 62 26.327 -1.238 26.460 1.00 6.04 H new ATOM 0 HB2 ASN A 62 25.181 -0.357 28.394 1.00 6.09 H new ATOM 0 HB3 ASN A 62 25.718 -1.577 29.203 1.00 6.09 H new ATOM 0 HD21 ASN A 62 28.712 0.609 27.929 1.00 8.43 H new ATOM 0 HD22 ASN A 62 27.802 -0.084 26.975 1.00 8.43 H new ATOM 479 N VAL A 63 28.016 -2.975 26.535 1.00 5.73 N ATOM 480 CA VAL A 63 29.047 -4.009 26.577 1.00 5.96 C ATOM 481 C VAL A 63 30.430 -3.361 26.592 1.00 5.71 C ATOM 482 O VAL A 63 30.602 -2.228 26.137 1.00 6.60 O ATOM 483 CB VAL A 63 28.964 -5.007 25.365 1.00 6.48 C ATOM 484 CG1 VAL A 63 27.639 -5.772 25.369 1.00 7.65 C ATOM 485 CG2 VAL A 63 29.156 -4.307 24.028 1.00 5.98 C ATOM 0 H VAL A 63 28.170 -2.353 25.961 1.00 5.73 H new ATOM 0 HA VAL A 63 28.896 -4.520 27.388 1.00 5.96 H new ATOM 0 HB VAL A 63 29.692 -5.638 25.477 1.00 6.48 H new ATOM 0 HG11 VAL A 63 27.613 -6.379 24.613 1.00 7.65 H new ATOM 0 HG12 VAL A 63 27.560 -6.278 26.193 1.00 7.65 H new ATOM 0 HG13 VAL A 63 26.902 -5.144 25.304 1.00 7.65 H new ATOM 0 HG21 VAL A 63 29.098 -4.957 23.311 1.00 5.98 H new ATOM 0 HG22 VAL A 63 28.466 -3.635 23.912 1.00 5.98 H new ATOM 0 HG23 VAL A 63 30.027 -3.881 24.008 1.00 5.98 H new ATOM 486 N ALA A 64 31.420 -4.090 27.088 1.00 5.54 N ATOM 487 CA ALA A 64 32.790 -3.599 27.030 1.00 5.36 C ATOM 488 C ALA A 64 33.272 -3.457 25.584 1.00 5.58 C ATOM 489 O ALA A 64 33.030 -4.321 24.733 1.00 5.66 O ATOM 490 CB ALA A 64 33.706 -4.523 27.840 1.00 5.44 C ATOM 0 H ALA A 64 31.324 -4.861 27.457 1.00 5.54 H new ATOM 0 HA ALA A 64 32.819 -2.713 27.424 1.00 5.36 H new ATOM 0 HB1 ALA A 64 34.617 -4.193 27.799 1.00 5.44 H new ATOM 0 HB2 ALA A 64 33.411 -4.543 28.764 1.00 5.44 H new ATOM 0 HB3 ALA A 64 33.670 -5.419 27.471 1.00 5.44 H new ATOM 491 N CYS A 65 33.946 -2.345 25.310 1.00 5.86 N ATOM 492 CA CYS A 65 34.640 -2.158 24.048 1.00 5.76 C ATOM 493 C CYS A 65 35.899 -3.002 23.989 1.00 5.34 C ATOM 494 O CYS A 65 36.514 -3.281 25.023 1.00 5.65 O ATOM 495 CB CYS A 65 35.074 -0.699 23.905 1.00 6.09 C ATOM 496 SG CYS A 65 33.758 0.521 23.973 1.00 7.21 S ATOM 0 H CYS A 65 34.012 -1.680 25.852 1.00 5.86 H new ATOM 0 HA CYS A 65 34.029 -2.417 23.340 1.00 5.76 H new ATOM 0 HB2 CYS A 65 35.713 -0.499 24.607 1.00 6.09 H new ATOM 0 HB3 CYS A 65 35.540 -0.600 23.060 1.00 6.09 H new ATOM 497 N LYS A 66 36.326 -3.344 22.778 1.00 5.52 N ATOM 498 CA LYS A 66 37.565 -4.101 22.608 1.00 5.85 C ATOM 499 C LYS A 66 38.758 -3.432 23.278 1.00 5.88 C ATOM 500 O LYS A 66 39.636 -4.120 23.777 1.00 7.61 O ATOM 501 CB LYS A 66 37.867 -4.345 21.126 1.00 6.02 C ATOM 502 CG LYS A 66 36.975 -5.410 20.511 1.00 6.75 C ATOM 503 CD LYS A 66 37.188 -5.468 19.018 1.00 11.06 C ATOM 504 CE LYS A 66 36.368 -6.599 18.428 1.00 13.37 C ATOM 505 NZ LYS A 66 36.338 -6.510 16.935 1.00 17.83 N ATOM 0 H LYS A 66 35.918 -3.150 22.046 1.00 5.52 H new ATOM 0 HA LYS A 66 37.423 -4.954 23.048 1.00 5.85 H new ATOM 0 HB2 LYS A 66 37.757 -3.515 20.637 1.00 6.02 H new ATOM 0 HB3 LYS A 66 38.795 -4.610 21.029 1.00 6.02 H new ATOM 0 HG2 LYS A 66 37.171 -6.274 20.906 1.00 6.75 H new ATOM 0 HG3 LYS A 66 36.045 -5.214 20.705 1.00 6.75 H new ATOM 0 HD2 LYS A 66 36.931 -4.625 18.613 1.00 11.06 H new ATOM 0 HD3 LYS A 66 38.128 -5.602 18.822 1.00 11.06 H new ATOM 0 HE2 LYS A 66 36.744 -7.452 18.698 1.00 13.37 H new ATOM 0 HE3 LYS A 66 35.463 -6.564 18.777 1.00 13.37 H new ATOM 0 HZ1 LYS A 66 35.915 -7.219 16.604 1.00 17.83 H new ATOM 0 HZ2 LYS A 66 35.910 -5.769 16.690 1.00 17.83 H new ATOM 0 HZ3 LYS A 66 37.171 -6.489 16.622 1.00 17.83 H new ATOM 506 N ASN A 67 38.767 -2.104 23.309 1.00 6.88 N ATOM 507 CA ASN A 67 39.880 -1.394 23.923 1.00 7.12 C ATOM 508 C ASN A 67 39.745 -1.247 25.438 1.00 7.23 C ATOM 509 O ASN A 67 40.572 -0.579 26.075 1.00 7.96 O ATOM 510 CB ASN A 67 40.036 -0.024 23.268 1.00 7.04 C ATOM 511 CG ASN A 67 38.904 0.938 23.603 1.00 7.72 C ATOM 512 OD1 ASN A 67 37.991 0.626 24.353 1.00 7.41 O ATOM 513 ND2 ASN A 67 38.967 2.144 23.023 1.00 10.09 N ATOM 0 H ASN A 67 38.148 -1.602 22.985 1.00 6.88 H new ATOM 0 HA ASN A 67 40.675 -1.930 23.774 1.00 7.12 H new ATOM 0 HB2 ASN A 67 40.878 0.367 23.549 1.00 7.04 H new ATOM 0 HB3 ASN A 67 40.082 -0.136 22.306 1.00 7.04 H new ATOM 0 HD21 ASN A 67 38.353 2.727 23.174 1.00 10.09 H new ATOM 0 HD22 ASN A 67 39.622 2.336 22.499 1.00 10.09 H new ATOM 514 N GLY A 68 38.698 -1.843 26.002 1.00 6.84 N ATOM 515 CA GLY A 68 38.510 -1.827 27.447 1.00 6.50 C ATOM 516 C GLY A 68 37.693 -0.666 27.978 1.00 6.59 C ATOM 517 O GLY A 68 37.389 -0.613 29.167 1.00 6.85 O ATOM 0 H GLY A 68 38.086 -2.261 25.565 1.00 6.84 H new ATOM 0 HA2 GLY A 68 38.080 -2.655 27.712 1.00 6.50 H new ATOM 0 HA3 GLY A 68 39.382 -1.812 27.872 1.00 6.50 H new ATOM 518 N GLN A 69 37.356 0.278 27.105 1.00 6.41 N ATOM 519 CA GLN A 69 36.452 1.346 27.498 1.00 6.47 C ATOM 520 C GLN A 69 35.052 0.791 27.674 1.00 6.89 C ATOM 521 O GLN A 69 34.766 -0.328 27.223 1.00 7.56 O ATOM 522 CB AGLN A 69 36.454 2.467 26.452 0.70 6.37 C ATOM 523 CB BGLN A 69 36.522 2.518 26.523 0.30 6.63 C ATOM 524 CG AGLN A 69 37.787 3.194 26.338 0.70 5.98 C ATOM 525 CG BGLN A 69 37.863 3.237 26.619 0.30 6.95 C ATOM 526 CD AGLN A 69 38.153 3.938 27.606 0.70 7.61 C ATOM 527 CD BGLN A 69 37.921 4.508 25.813 0.30 8.23 C ATOM 528 OE1AGLN A 69 39.026 3.496 28.357 0.70 8.27 O ATOM 529 OE1BGLN A 69 38.153 5.589 26.354 0.30 10.32 O ATOM 530 NE2AGLN A 69 37.489 5.076 27.854 0.70 6.84 N ATOM 531 NE2BGLN A 69 37.725 4.389 24.510 0.30 8.45 N ATOM 0 H GLN A 69 37.636 0.317 26.293 1.00 6.41 H new ATOM 0 HA GLN A 69 36.754 1.719 28.341 1.00 6.47 H new ATOM 0 HB2AGLN A 69 36.224 2.092 25.587 0.70 6.63 H new ATOM 0 HB2BGLN A 69 36.389 2.197 25.617 0.30 6.63 H new ATOM 0 HB3AGLN A 69 35.762 3.109 26.676 0.70 6.63 H new ATOM 0 HB3BGLN A 69 35.804 3.142 26.711 0.30 6.63 H new ATOM 0 HG2AGLN A 69 38.485 2.553 26.130 0.70 6.95 H new ATOM 0 HG2BGLN A 69 38.046 3.443 27.549 0.30 6.95 H new ATOM 0 HG3AGLN A 69 37.748 3.821 25.599 0.70 6.95 H new ATOM 0 HG3BGLN A 69 38.565 2.639 26.318 0.30 6.95 H new ATOM 0 HE21AGLN A 69 36.887 5.351 27.305 0.70 8.45 H new ATOM 0 HE21BGLN A 69 37.565 3.616 24.168 0.30 8.45 H new ATOM 0 HE22AGLN A 69 37.665 5.531 28.562 0.70 8.45 H new ATOM 0 HE22BGLN A 69 37.757 5.084 24.005 0.30 8.45 H new ATOM 532 N THR A 70 34.190 1.536 28.354 1.00 6.85 N ATOM 533 CA THR A 70 32.890 1.009 28.763 1.00 7.84 C ATOM 534 C THR A 70 31.730 1.536 27.923 1.00 7.57 C ATOM 535 O THR A 70 30.563 1.246 28.207 1.00 8.95 O ATOM 536 CB THR A 70 32.576 1.334 30.239 1.00 8.18 C ATOM 537 OG1 THR A 70 32.522 2.754 30.404 1.00 11.03 O ATOM 538 CG2 THR A 70 33.641 0.766 31.157 1.00 9.76 C ATOM 0 H THR A 70 34.336 2.350 28.590 1.00 6.85 H new ATOM 0 HA THR A 70 32.967 0.051 28.631 1.00 7.84 H new ATOM 0 HB THR A 70 31.723 0.934 30.470 1.00 8.18 H new ATOM 0 HG1 THR A 70 31.757 3.032 30.195 1.00 11.03 H new ATOM 0 HG21 THR A 70 33.424 0.982 32.077 1.00 9.76 H new ATOM 0 HG22 THR A 70 33.679 -0.197 31.052 1.00 9.76 H new ATOM 0 HG23 THR A 70 34.502 1.150 30.930 1.00 9.76 H new ATOM 539 N ASN A 71 32.027 2.332 26.905 1.00 6.20 N ATOM 540 CA ASN A 71 30.974 3.040 26.173 1.00 5.78 C ATOM 541 C ASN A 71 30.565 2.373 24.877 1.00 6.02 C ATOM 542 O ASN A 71 30.264 3.051 23.895 1.00 6.35 O ATOM 543 CB ASN A 71 31.409 4.487 25.901 1.00 6.16 C ATOM 544 CG ASN A 71 32.623 4.581 24.983 1.00 5.78 C ATOM 545 OD1 ASN A 71 33.635 3.895 25.191 1.00 7.05 O ATOM 546 ND2 ASN A 71 32.539 5.449 23.969 1.00 5.45 N ATOM 0 H ASN A 71 32.825 2.478 26.620 1.00 6.20 H new ATOM 0 HA ASN A 71 30.190 3.020 26.744 1.00 5.78 H new ATOM 0 HB2 ASN A 71 30.670 4.972 25.502 1.00 6.16 H new ATOM 0 HB3 ASN A 71 31.612 4.922 26.744 1.00 6.16 H new ATOM 0 HD21 ASN A 71 33.203 5.548 23.431 1.00 5.45 H new ATOM 0 HD22 ASN A 71 31.821 5.909 23.855 1.00 5.45 H new ATOM 547 N CYS A 72 30.539 1.041 24.871 1.00 5.90 N ATOM 548 CA CYS A 72 30.073 0.309 23.690 1.00 5.50 C ATOM 549 C CYS A 72 28.709 -0.295 23.901 1.00 6.08 C ATOM 550 O CYS A 72 28.297 -0.559 25.028 1.00 5.63 O ATOM 551 CB CYS A 72 31.091 -0.743 23.250 1.00 6.22 C ATOM 552 SG CYS A 72 32.522 0.001 22.436 1.00 6.83 S ATOM 0 H CYS A 72 30.783 0.546 25.531 1.00 5.90 H new ATOM 0 HA CYS A 72 29.987 0.954 22.970 1.00 5.50 H new ATOM 0 HB2 CYS A 72 31.386 -1.249 24.023 1.00 6.22 H new ATOM 0 HB3 CYS A 72 30.666 -1.371 22.645 1.00 6.22 H new ATOM 553 N TYR A 73 28.001 -0.503 22.796 1.00 5.34 N ATOM 554 CA TYR A 73 26.595 -0.918 22.831 1.00 5.88 C ATOM 555 C TYR A 73 26.352 -1.889 21.710 1.00 5.62 C ATOM 556 O TYR A 73 26.767 -1.666 20.564 1.00 5.83 O ATOM 557 CB TYR A 73 25.649 0.290 22.720 1.00 6.92 C ATOM 558 CG TYR A 73 25.886 1.239 23.859 1.00 6.45 C ATOM 559 CD1 TYR A 73 26.900 2.188 23.769 1.00 8.01 C ATOM 560 CD2 TYR A 73 25.144 1.164 25.039 1.00 9.10 C ATOM 561 CE1 TYR A 73 27.202 3.042 24.815 1.00 7.39 C ATOM 562 CE2 TYR A 73 25.444 2.017 26.105 1.00 6.96 C ATOM 563 CZ TYR A 73 26.482 2.952 25.977 1.00 6.36 C ATOM 564 OH TYR A 73 26.803 3.836 26.993 1.00 10.86 O ATOM 0 H TYR A 73 28.319 -0.408 22.003 1.00 5.34 H new ATOM 0 HA TYR A 73 26.411 -1.345 23.682 1.00 5.88 H new ATOM 0 HB2 TYR A 73 25.792 0.745 21.876 1.00 6.92 H new ATOM 0 HB3 TYR A 73 24.727 -0.011 22.727 1.00 6.92 H new ATOM 0 HD1 TYR A 73 27.390 2.250 22.981 1.00 8.01 H new ATOM 0 HD2 TYR A 73 24.452 0.548 25.116 1.00 9.10 H new ATOM 0 HE1 TYR A 73 27.884 3.668 24.730 1.00 7.39 H new ATOM 0 HE2 TYR A 73 24.957 1.965 26.896 1.00 6.96 H new ATOM 0 HH TYR A 73 26.147 3.918 27.511 1.00 10.86 H new ATOM 565 N GLN A 74 25.700 -2.979 22.081 1.00 5.63 N ATOM 566 CA GLN A 74 25.334 -4.038 21.152 1.00 5.45 C ATOM 567 C GLN A 74 23.859 -3.946 20.795 1.00 5.37 C ATOM 568 O GLN A 74 22.992 -3.822 21.666 1.00 6.38 O ATOM 569 CB GLN A 74 25.644 -5.409 21.760 1.00 5.25 C ATOM 570 CG GLN A 74 25.326 -6.596 20.874 1.00 6.73 C ATOM 571 CD GLN A 74 25.887 -7.866 21.442 1.00 9.82 C ATOM 572 OE1 GLN A 74 27.024 -7.898 21.913 1.00 11.59 O ATOM 573 NE2 GLN A 74 25.093 -8.921 21.419 1.00 12.53 N ATOM 0 H GLN A 74 25.453 -3.128 22.891 1.00 5.63 H new ATOM 0 HA GLN A 74 25.856 -3.930 20.342 1.00 5.45 H new ATOM 0 HB2 GLN A 74 26.586 -5.439 21.990 1.00 5.25 H new ATOM 0 HB3 GLN A 74 25.147 -5.499 22.588 1.00 5.25 H new ATOM 0 HG2 GLN A 74 24.365 -6.680 20.775 1.00 6.73 H new ATOM 0 HG3 GLN A 74 25.690 -6.447 19.987 1.00 6.73 H new ATOM 0 HE21 GLN A 74 24.305 -8.859 21.081 1.00 12.53 H new ATOM 0 HE22 GLN A 74 25.364 -9.670 21.742 1.00 12.53 H new ATOM 574 N SER A 75 23.578 -4.017 19.498 1.00 5.79 N ATOM 575 CA SER A 75 22.188 -3.969 19.028 1.00 6.13 C ATOM 576 C SER A 75 21.416 -5.194 19.509 1.00 6.93 C ATOM 577 O SER A 75 21.931 -6.316 19.481 1.00 6.82 O ATOM 578 CB SER A 75 22.150 -3.855 17.489 1.00 6.42 C ATOM 579 OG SER A 75 22.665 -5.014 16.841 1.00 6.87 O ATOM 0 H SER A 75 24.167 -4.092 18.876 1.00 5.79 H new ATOM 0 HA SER A 75 21.759 -3.183 19.401 1.00 6.13 H new ATOM 0 HB2 SER A 75 21.235 -3.707 17.202 1.00 6.42 H new ATOM 0 HB3 SER A 75 22.663 -3.079 17.213 1.00 6.42 H new ATOM 0 HG SER A 75 22.036 -5.432 16.473 1.00 6.87 H new ATOM 580 N TYR A 76 20.177 -4.982 19.953 1.00 6.96 N ATOM 581 CA TYR A 76 19.337 -6.098 20.372 1.00 7.78 C ATOM 582 C TYR A 76 18.919 -6.962 19.198 1.00 8.14 C ATOM 583 O TYR A 76 18.757 -8.168 19.337 1.00 8.46 O ATOM 584 CB TYR A 76 18.085 -5.598 21.091 1.00 7.27 C ATOM 585 CG TYR A 76 18.401 -5.035 22.446 1.00 7.45 C ATOM 586 CD1 TYR A 76 19.063 -5.808 23.392 1.00 6.56 C ATOM 587 CD2 TYR A 76 18.022 -3.733 22.789 1.00 8.15 C ATOM 588 CE1 TYR A 76 19.360 -5.293 24.655 1.00 6.36 C ATOM 589 CE2 TYR A 76 18.306 -3.217 24.059 1.00 6.30 C ATOM 590 CZ TYR A 76 18.982 -3.997 24.969 1.00 6.95 C ATOM 591 OH TYR A 76 19.279 -3.493 26.210 1.00 8.06 O ATOM 0 H TYR A 76 19.809 -4.207 20.018 1.00 6.96 H new ATOM 0 HA TYR A 76 19.870 -6.635 20.979 1.00 7.78 H new ATOM 0 HB2 TYR A 76 17.654 -4.917 20.551 1.00 7.27 H new ATOM 0 HB3 TYR A 76 17.453 -6.328 21.184 1.00 7.27 H new ATOM 0 HD1 TYR A 76 19.311 -6.679 23.181 1.00 6.56 H new ATOM 0 HD2 TYR A 76 17.577 -3.204 22.167 1.00 8.15 H new ATOM 0 HE1 TYR A 76 19.808 -5.815 25.281 1.00 6.36 H new ATOM 0 HE2 TYR A 76 18.040 -2.355 24.286 1.00 6.30 H new ATOM 0 HH TYR A 76 18.834 -2.793 26.342 1.00 8.06 H new ATOM 592 N SER A 77 18.742 -6.327 18.048 1.00 9.44 N ATOM 593 CA SER A 77 18.387 -7.037 16.821 1.00 10.63 C ATOM 594 C SER A 77 19.591 -7.179 15.891 1.00 11.39 C ATOM 595 O SER A 77 20.567 -6.409 15.979 1.00 10.53 O ATOM 596 CB SER A 77 17.246 -6.315 16.119 1.00 10.68 C ATOM 597 OG SER A 77 16.064 -6.401 16.891 1.00 12.20 O ATOM 0 H SER A 77 18.823 -5.476 17.954 1.00 9.44 H new ATOM 0 HA SER A 77 18.097 -7.932 17.059 1.00 10.63 H new ATOM 0 HB2 SER A 77 17.481 -5.385 15.978 1.00 10.68 H new ATOM 0 HB3 SER A 77 17.097 -6.705 15.244 1.00 10.68 H new ATOM 0 HG SER A 77 16.017 -7.160 17.248 1.00 12.20 H new ATOM 598 N THR A 78 19.555 -8.183 15.018 1.00 13.75 N ATOM 599 CA THR A 78 20.574 -8.272 13.982 1.00 15.03 C ATOM 600 C THR A 78 20.327 -7.163 12.984 1.00 15.46 C ATOM 601 O THR A 78 19.203 -6.677 12.825 1.00 16.73 O ATOM 602 CB THR A 78 20.623 -9.623 13.240 1.00 15.93 C ATOM 603 OG1 THR A 78 19.392 -9.823 12.535 1.00 17.04 O ATOM 604 CG2 THR A 78 20.877 -10.771 14.214 1.00 15.93 C ATOM 0 H THR A 78 18.964 -8.808 15.008 1.00 13.75 H new ATOM 0 HA THR A 78 21.433 -8.188 14.425 1.00 15.03 H new ATOM 0 HB THR A 78 21.356 -9.607 12.605 1.00 15.93 H new ATOM 0 HG1 THR A 78 19.425 -9.427 11.795 1.00 17.04 H new ATOM 0 HG21 THR A 78 20.904 -11.609 13.727 1.00 15.93 H new ATOM 0 HG22 THR A 78 21.725 -10.632 14.664 1.00 15.93 H new ATOM 0 HG23 THR A 78 20.164 -10.802 14.871 1.00 15.93 H new ATOM 605 N MET A 79 21.404 -6.764 12.324 1.00 15.14 N ATOM 606 CA MET A 79 21.346 -5.740 11.307 1.00 15.11 C ATOM 607 C MET A 79 22.045 -6.228 10.061 1.00 15.28 C ATOM 608 O MET A 79 22.965 -7.051 10.132 1.00 14.89 O ATOM 609 CB MET A 79 22.011 -4.468 11.823 1.00 15.20 C ATOM 610 CG MET A 79 21.238 -3.820 12.950 1.00 15.61 C ATOM 611 SD MET A 79 21.932 -2.223 13.357 1.00 16.57 S ATOM 612 CE MET A 79 20.660 -1.542 14.389 1.00 15.56 C ATOM 0 H MET A 79 22.191 -7.084 12.457 1.00 15.14 H new ATOM 0 HA MET A 79 20.420 -5.545 11.093 1.00 15.11 H new ATOM 0 HB2 MET A 79 22.907 -4.678 12.129 1.00 15.20 H new ATOM 0 HB3 MET A 79 22.101 -3.836 11.093 1.00 15.20 H new ATOM 0 HG2 MET A 79 20.308 -3.718 12.693 1.00 15.61 H new ATOM 0 HG3 MET A 79 21.255 -4.394 13.732 1.00 15.61 H new ATOM 0 HE1 MET A 79 20.922 -0.655 14.683 1.00 15.56 H new ATOM 0 HE2 MET A 79 19.832 -1.485 13.887 1.00 15.56 H new ATOM 0 HE3 MET A 79 20.530 -2.113 15.162 1.00 15.56 H new ATOM 613 N SER A 80 21.585 -5.735 8.915 1.00 14.89 N ATOM 614 CA SER A 80 22.244 -5.990 7.649 1.00 15.02 C ATOM 615 C SER A 80 23.547 -5.200 7.560 1.00 15.30 C ATOM 616 O SER A 80 23.551 -3.973 7.711 1.00 16.38 O ATOM 617 CB SER A 80 21.316 -5.586 6.506 1.00 14.50 C ATOM 618 OG SER A 80 21.965 -5.724 5.252 1.00 17.08 O ATOM 0 H SER A 80 20.882 -5.244 8.854 1.00 14.89 H new ATOM 0 HA SER A 80 22.450 -6.936 7.584 1.00 15.02 H new ATOM 0 HB2 SER A 80 20.517 -6.136 6.523 1.00 14.50 H new ATOM 0 HB3 SER A 80 21.030 -4.667 6.627 1.00 14.50 H new ATOM 0 HG SER A 80 21.481 -5.397 4.648 1.00 17.08 H new ATOM 619 N ILE A 81 24.653 -5.912 7.358 1.00 15.20 N ATOM 620 CA ILE A 81 25.980 -5.269 7.290 1.00 15.70 C ATOM 621 C ILE A 81 26.792 -5.829 6.129 1.00 15.75 C ATOM 622 O ILE A 81 26.467 -6.891 5.587 1.00 16.00 O ATOM 623 CB ILE A 81 26.795 -5.438 8.616 1.00 15.63 C ATOM 624 CG1 ILE A 81 27.141 -6.913 8.862 1.00 16.61 C ATOM 625 CG2 ILE A 81 26.026 -4.859 9.813 1.00 16.18 C ATOM 626 CD1 ILE A 81 28.165 -7.154 9.954 1.00 17.29 C ATOM 0 H ILE A 81 24.665 -6.766 7.257 1.00 15.20 H new ATOM 0 HA ILE A 81 25.819 -4.322 7.154 1.00 15.70 H new ATOM 0 HB ILE A 81 27.623 -4.942 8.520 1.00 15.63 H new ATOM 0 HG12 ILE A 81 26.327 -7.389 9.089 1.00 16.61 H new ATOM 0 HG13 ILE A 81 27.473 -7.296 8.035 1.00 16.61 H new ATOM 0 HG21 ILE A 81 26.550 -4.975 10.621 1.00 16.18 H new ATOM 0 HG22 ILE A 81 25.863 -3.914 9.667 1.00 16.18 H new ATOM 0 HG23 ILE A 81 25.179 -5.322 9.908 1.00 16.18 H new ATOM 0 HD11 ILE A 81 28.325 -8.107 10.044 1.00 17.29 H new ATOM 0 HD12 ILE A 81 28.995 -6.708 9.724 1.00 17.29 H new ATOM 0 HD13 ILE A 81 27.831 -6.802 10.794 1.00 17.29 H new ATOM 627 N THR A 82 27.842 -5.104 5.751 1.00 15.46 N ATOM 628 CA THR A 82 28.822 -5.602 4.802 1.00 15.66 C ATOM 629 C THR A 82 30.202 -5.400 5.383 1.00 15.69 C ATOM 630 O THR A 82 30.580 -4.284 5.760 1.00 15.76 O ATOM 631 CB THR A 82 28.725 -4.882 3.461 1.00 16.08 C ATOM 632 OG1 THR A 82 27.419 -5.080 2.925 1.00 15.85 O ATOM 633 CG2 THR A 82 29.736 -5.443 2.480 1.00 17.04 C ATOM 0 H THR A 82 28.003 -4.310 6.040 1.00 15.46 H new ATOM 0 HA THR A 82 28.648 -6.543 4.644 1.00 15.66 H new ATOM 0 HB THR A 82 28.904 -3.939 3.599 1.00 16.08 H new ATOM 0 HG1 THR A 82 26.871 -4.593 3.335 1.00 15.85 H new ATOM 0 HG21 THR A 82 29.661 -4.975 1.634 1.00 17.04 H new ATOM 0 HG22 THR A 82 30.631 -5.326 2.835 1.00 17.04 H new ATOM 0 HG23 THR A 82 29.564 -6.388 2.342 1.00 17.04 H new ATOM 634 N ASP A 83 30.922 -6.507 5.492 1.00 15.20 N ATOM 635 CA ASP A 83 32.302 -6.528 5.912 1.00 15.90 C ATOM 636 C ASP A 83 33.197 -6.324 4.697 1.00 15.19 C ATOM 637 O ASP A 83 33.045 -7.025 3.686 1.00 14.96 O ATOM 638 CB ASP A 83 32.611 -7.884 6.548 1.00 16.94 C ATOM 639 CG ASP A 83 34.053 -8.012 6.993 1.00 19.65 C ATOM 640 OD1 ASP A 83 34.363 -7.650 8.150 1.00 23.11 O ATOM 641 OD2 ASP A 83 34.883 -8.516 6.209 1.00 23.26 O ATOM 0 H ASP A 83 30.606 -7.288 5.317 1.00 15.20 H new ATOM 0 HA ASP A 83 32.462 -5.821 6.557 1.00 15.90 H new ATOM 0 HB2 ASP A 83 32.029 -8.018 7.312 1.00 16.94 H new ATOM 0 HB3 ASP A 83 32.410 -8.588 5.911 1.00 16.94 H new ATOM 642 N CYS A 84 34.130 -5.373 4.809 1.00 14.66 N ATOM 643 CA CYS A 84 35.170 -5.184 3.796 1.00 14.82 C ATOM 644 C CYS A 84 36.533 -5.514 4.361 1.00 15.28 C ATOM 645 O CYS A 84 36.950 -4.928 5.351 1.00 15.07 O ATOM 646 CB CYS A 84 35.185 -3.747 3.278 1.00 14.12 C ATOM 647 SG CYS A 84 33.600 -3.242 2.580 1.00 14.55 S ATOM 0 H CYS A 84 34.176 -4.824 5.470 1.00 14.66 H new ATOM 0 HA CYS A 84 34.967 -5.784 3.061 1.00 14.82 H new ATOM 0 HB2 CYS A 84 35.420 -3.148 4.004 1.00 14.12 H new ATOM 0 HB3 CYS A 84 35.875 -3.658 2.602 1.00 14.12 H new ATOM 648 N ARG A 85 37.226 -6.458 3.736 1.00 15.92 N ATOM 649 CA ARG A 85 38.552 -6.832 4.219 1.00 17.26 C ATOM 650 C ARG A 85 39.540 -6.819 3.070 1.00 17.26 C ATOM 651 O ARG A 85 39.301 -7.437 2.028 1.00 16.86 O ATOM 652 CB ARG A 85 38.526 -8.194 4.916 1.00 17.67 C ATOM 653 CG ARG A 85 39.879 -8.610 5.503 1.00 19.12 C ATOM 654 CD ARG A 85 39.770 -9.828 6.409 1.00 19.52 C ATOM 655 NE ARG A 85 38.964 -9.559 7.602 1.00 23.63 N ATOM 656 CZ ARG A 85 39.452 -9.242 8.799 1.00 24.40 C ATOM 657 NH1 ARG A 85 38.620 -9.016 9.807 1.00 24.76 N ATOM 658 NH2 ARG A 85 40.763 -9.143 8.997 1.00 25.64 N ATOM 0 H ARG A 85 36.954 -6.888 3.043 1.00 15.92 H new ATOM 0 HA ARG A 85 38.837 -6.181 4.879 1.00 17.26 H new ATOM 0 HB2 ARG A 85 37.867 -8.172 5.627 1.00 17.67 H new ATOM 0 HB3 ARG A 85 38.237 -8.868 4.281 1.00 17.67 H new ATOM 0 HG2 ARG A 85 40.497 -8.802 4.780 1.00 19.12 H new ATOM 0 HG3 ARG A 85 40.252 -7.869 6.005 1.00 19.12 H new ATOM 0 HD2 ARG A 85 39.377 -10.563 5.914 1.00 19.52 H new ATOM 0 HD3 ARG A 85 40.658 -10.110 6.678 1.00 19.52 H new ATOM 0 HE ARG A 85 38.109 -9.610 7.523 1.00 23.63 H new ATOM 0 HH11 ARG A 85 37.771 -9.075 9.685 1.00 24.76 H new ATOM 0 HH12 ARG A 85 38.930 -8.811 10.583 1.00 24.76 H new ATOM 0 HH21 ARG A 85 41.308 -9.284 8.347 1.00 25.64 H new ATOM 0 HH22 ARG A 85 41.066 -8.937 9.775 1.00 25.64 H new ATOM 659 N GLU A 86 40.640 -6.099 3.260 1.00 17.27 N ATOM 660 CA GLU A 86 41.644 -5.948 2.216 1.00 17.99 C ATOM 661 C GLU A 86 42.203 -7.310 1.808 1.00 17.98 C ATOM 662 O GLU A 86 42.533 -8.134 2.665 1.00 18.19 O ATOM 663 CB GLU A 86 42.766 -5.013 2.674 1.00 18.12 C ATOM 664 CG GLU A 86 43.665 -4.586 1.539 1.00 18.43 C ATOM 665 CD GLU A 86 44.859 -3.758 1.966 1.00 17.89 C ATOM 666 OE1 GLU A 86 45.534 -3.241 1.063 1.00 17.87 O ATOM 667 OE2 GLU A 86 45.110 -3.609 3.185 1.00 18.62 O ATOM 0 H GLU A 86 40.824 -5.687 3.992 1.00 17.27 H new ATOM 0 HA GLU A 86 41.220 -5.550 1.440 1.00 17.99 H new ATOM 0 HB2 GLU A 86 42.378 -4.226 3.088 1.00 18.12 H new ATOM 0 HB3 GLU A 86 43.297 -5.458 3.353 1.00 18.12 H new ATOM 0 HG2 GLU A 86 43.982 -5.377 1.077 1.00 18.43 H new ATOM 0 HG3 GLU A 86 43.142 -4.075 0.901 1.00 18.43 H new ATOM 668 N THR A 87 42.280 -7.544 0.498 1.00 18.37 N ATOM 669 CA THR A 87 42.806 -8.804 -0.029 1.00 18.73 C ATOM 670 C THR A 87 44.313 -8.891 0.207 1.00 19.03 C ATOM 671 O THR A 87 44.984 -7.875 0.410 1.00 19.08 O ATOM 672 CB THR A 87 42.522 -8.977 -1.549 1.00 18.63 C ATOM 673 OG1 THR A 87 43.195 -7.950 -2.288 1.00 18.49 O ATOM 674 CG2 THR A 87 41.022 -8.938 -1.850 1.00 19.03 C ATOM 0 H THR A 87 42.032 -6.983 -0.105 1.00 18.37 H new ATOM 0 HA THR A 87 42.349 -9.516 0.446 1.00 18.73 H new ATOM 0 HB THR A 87 42.856 -9.847 -1.819 1.00 18.63 H new ATOM 0 HG1 THR A 87 43.040 -8.047 -3.108 1.00 18.49 H new ATOM 0 HG21 THR A 87 40.880 -9.048 -2.803 1.00 19.03 H new ATOM 0 HG22 THR A 87 40.577 -9.655 -1.372 1.00 19.03 H new ATOM 0 HG23 THR A 87 40.657 -8.086 -1.566 1.00 19.03 H new ATOM 675 N GLY A 88 44.834 -10.114 0.183 1.00 19.31 N ATOM 676 CA GLY A 88 46.264 -10.351 0.360 1.00 19.60 C ATOM 677 C GLY A 88 47.134 -9.700 -0.702 1.00 19.80 C ATOM 678 O GLY A 88 48.286 -9.356 -0.434 1.00 20.17 O ATOM 0 H GLY A 88 44.370 -10.828 0.064 1.00 19.31 H new ATOM 0 HA2 GLY A 88 46.532 -10.020 1.232 1.00 19.60 H new ATOM 0 HA3 GLY A 88 46.427 -11.307 0.357 1.00 19.60 H new ATOM 679 N SER A 89 46.576 -9.523 -1.899 1.00 19.90 N ATOM 680 CA SER A 89 47.320 -9.002 -3.047 1.00 20.19 C ATOM 681 C SER A 89 47.028 -7.522 -3.332 1.00 19.95 C ATOM 682 O SER A 89 47.553 -6.949 -4.295 1.00 20.17 O ATOM 683 CB SER A 89 47.032 -9.849 -4.289 1.00 20.33 C ATOM 684 OG SER A 89 45.678 -9.723 -4.682 1.00 21.82 O ATOM 0 H SER A 89 45.752 -9.702 -2.069 1.00 19.90 H new ATOM 0 HA SER A 89 48.262 -9.060 -2.821 1.00 20.19 H new ATOM 0 HB2 SER A 89 47.611 -9.571 -5.016 1.00 20.33 H new ATOM 0 HB3 SER A 89 47.234 -10.780 -4.105 1.00 20.33 H new ATOM 0 HG SER A 89 45.284 -10.457 -4.571 1.00 21.82 H new ATOM 685 N SER A 90 46.196 -6.908 -2.493 1.00 19.53 N ATOM 686 CA SER A 90 45.884 -5.488 -2.610 1.00 18.98 C ATOM 687 C SER A 90 47.124 -4.643 -2.354 1.00 18.78 C ATOM 688 O SER A 90 47.821 -4.844 -1.364 1.00 19.19 O ATOM 689 CB SER A 90 44.779 -5.105 -1.628 1.00 18.85 C ATOM 690 OG SER A 90 44.676 -3.697 -1.481 1.00 17.46 O ATOM 0 H SER A 90 45.798 -7.303 -1.841 1.00 19.53 H new ATOM 0 HA SER A 90 45.575 -5.318 -3.514 1.00 18.98 H new ATOM 0 HB2 SER A 90 43.932 -5.462 -1.938 1.00 18.85 H new ATOM 0 HB3 SER A 90 44.958 -5.509 -0.765 1.00 18.85 H new ATOM 0 HG SER A 90 44.939 -3.475 -0.715 1.00 17.46 H new ATOM 691 N LYS A 91 47.389 -3.705 -3.256 1.00 18.70 N ATOM 692 CA LYS A 91 48.526 -2.806 -3.121 1.00 18.64 C ATOM 693 C LYS A 91 48.086 -1.377 -3.387 1.00 18.50 C ATOM 694 O LYS A 91 47.625 -1.051 -4.481 1.00 18.87 O ATOM 695 CB LYS A 91 49.671 -3.209 -4.068 1.00 19.24 C ATOM 696 CG LYS A 91 50.307 -4.577 -3.775 1.00 19.59 C ATOM 697 CD LYS A 91 51.179 -4.549 -2.515 1.00 21.28 C ATOM 698 CE LYS A 91 51.862 -5.897 -2.258 1.00 21.71 C ATOM 699 NZ LYS A 91 52.610 -6.440 -3.425 1.00 24.85 N ATOM 0 H LYS A 91 46.916 -3.573 -3.962 1.00 18.70 H new ATOM 0 HA LYS A 91 48.862 -2.869 -2.213 1.00 18.64 H new ATOM 0 HB2 LYS A 91 49.334 -3.213 -4.978 1.00 19.24 H new ATOM 0 HB3 LYS A 91 50.363 -2.530 -4.024 1.00 19.24 H new ATOM 0 HG2 LYS A 91 49.608 -5.241 -3.669 1.00 19.59 H new ATOM 0 HG3 LYS A 91 50.846 -4.851 -4.534 1.00 19.59 H new ATOM 0 HD2 LYS A 91 51.854 -3.858 -2.605 1.00 21.28 H new ATOM 0 HD3 LYS A 91 50.632 -4.314 -1.749 1.00 21.28 H new ATOM 0 HE2 LYS A 91 52.474 -5.800 -1.512 1.00 21.71 H new ATOM 0 HE3 LYS A 91 51.189 -6.542 -1.990 1.00 21.71 H new ATOM 0 HZ1 LYS A 91 53.106 -7.131 -3.164 1.00 24.85 H new ATOM 0 HZ2 LYS A 91 52.034 -6.707 -4.049 1.00 24.85 H new ATOM 0 HZ3 LYS A 91 53.137 -5.807 -3.761 1.00 24.85 H new ATOM 700 N TYR A 92 48.213 -0.541 -2.362 1.00 17.98 N ATOM 701 CA TYR A 92 47.933 0.888 -2.453 1.00 17.87 C ATOM 702 C TYR A 92 48.691 1.487 -3.644 1.00 17.78 C ATOM 703 O TYR A 92 49.845 1.120 -3.877 1.00 17.50 O ATOM 704 CB TYR A 92 48.363 1.566 -1.152 1.00 17.96 C ATOM 705 CG TYR A 92 48.175 3.066 -1.122 1.00 18.12 C ATOM 706 CD1 TYR A 92 46.978 3.633 -0.683 1.00 18.10 C ATOM 707 CD2 TYR A 92 49.199 3.924 -1.529 1.00 18.27 C ATOM 708 CE1 TYR A 92 46.806 5.015 -0.651 1.00 18.45 C ATOM 709 CE2 TYR A 92 49.033 5.302 -1.499 1.00 18.11 C ATOM 710 CZ TYR A 92 47.838 5.841 -1.060 1.00 18.88 C ATOM 711 OH TYR A 92 47.681 7.209 -1.029 1.00 19.23 O ATOM 0 H TYR A 92 48.469 -0.793 -1.580 1.00 17.98 H new ATOM 0 HA TYR A 92 46.983 1.031 -2.587 1.00 17.87 H new ATOM 0 HB2 TYR A 92 47.862 1.176 -0.419 1.00 17.96 H new ATOM 0 HB3 TYR A 92 49.299 1.367 -0.993 1.00 17.96 H new ATOM 0 HD1 TYR A 92 46.284 3.079 -0.407 1.00 18.10 H new ATOM 0 HD2 TYR A 92 50.005 3.567 -1.825 1.00 18.27 H new ATOM 0 HE1 TYR A 92 46.003 5.380 -0.357 1.00 18.45 H new ATOM 0 HE2 TYR A 92 49.724 5.861 -1.773 1.00 18.11 H new ATOM 0 HH TYR A 92 47.042 7.406 -0.521 1.00 19.23 H new ATOM 712 N PRO A 93 48.066 2.428 -4.387 1.00 17.97 N ATOM 713 CA PRO A 93 46.737 3.037 -4.235 1.00 18.44 C ATOM 714 C PRO A 93 45.577 2.175 -4.739 1.00 18.63 C ATOM 715 O PRO A 93 44.422 2.572 -4.590 1.00 19.35 O ATOM 716 CB PRO A 93 46.843 4.300 -5.092 1.00 18.48 C ATOM 717 CG PRO A 93 47.782 3.920 -6.168 1.00 18.73 C ATOM 718 CD PRO A 93 48.799 3.016 -5.528 1.00 17.94 C ATOM 0 HA PRO A 93 46.533 3.181 -3.298 1.00 18.44 H new ATOM 0 HB2 PRO A 93 45.980 4.561 -5.449 1.00 18.48 H new ATOM 0 HB3 PRO A 93 47.177 5.052 -4.578 1.00 18.48 H new ATOM 0 HG2 PRO A 93 47.319 3.466 -6.889 1.00 18.73 H new ATOM 0 HG3 PRO A 93 48.206 4.703 -6.552 1.00 18.73 H new ATOM 0 HD2 PRO A 93 49.108 2.334 -6.144 1.00 17.94 H new ATOM 0 HD3 PRO A 93 49.581 3.509 -5.235 1.00 17.94 H new ATOM 719 N ASN A 94 45.885 1.022 -5.332 1.00 18.78 N ATOM 720 CA ASN A 94 44.865 0.134 -5.893 1.00 19.02 C ATOM 721 C ASN A 94 44.327 -0.812 -4.835 1.00 18.58 C ATOM 722 O ASN A 94 44.577 -2.018 -4.875 1.00 18.73 O ATOM 723 CB ASN A 94 45.422 -0.670 -7.077 1.00 19.25 C ATOM 724 CG ASN A 94 45.854 0.207 -8.234 1.00 20.14 C ATOM 725 OD1 ASN A 94 46.948 0.043 -8.771 1.00 21.90 O ATOM 726 ND2 ASN A 94 44.994 1.142 -8.625 1.00 21.20 N ATOM 0 H ASN A 94 46.690 0.732 -5.421 1.00 18.78 H new ATOM 0 HA ASN A 94 44.138 0.691 -6.212 1.00 19.02 H new ATOM 0 HB2 ASN A 94 46.179 -1.197 -6.777 1.00 19.25 H new ATOM 0 HB3 ASN A 94 44.746 -1.294 -7.385 1.00 19.25 H new ATOM 0 HD21 ASN A 94 45.194 1.663 -9.279 1.00 21.20 H new ATOM 0 HD22 ASN A 94 44.238 1.226 -8.224 1.00 21.20 H new ATOM 727 N CYS A 95 43.588 -0.256 -3.881 1.00 18.34 N ATOM 728 CA CYS A 95 43.101 -1.038 -2.757 1.00 17.82 C ATOM 729 C CYS A 95 42.012 -2.002 -3.196 1.00 17.55 C ATOM 730 O CYS A 95 41.048 -1.605 -3.850 1.00 18.85 O ATOM 731 CB CYS A 95 42.598 -0.110 -1.652 1.00 17.61 C ATOM 732 SG CYS A 95 43.881 1.046 -1.102 1.00 17.51 S ATOM 0 H CYS A 95 43.359 0.573 -3.868 1.00 18.34 H new ATOM 0 HA CYS A 95 43.835 -1.566 -2.406 1.00 17.82 H new ATOM 0 HB2 CYS A 95 41.831 0.389 -1.974 1.00 17.61 H new ATOM 0 HB3 CYS A 95 42.296 -0.640 -0.898 1.00 17.61 H new ATOM 733 N ALA A 96 42.181 -3.266 -2.827 1.00 16.32 N ATOM 734 CA ALA A 96 41.251 -4.316 -3.213 1.00 15.68 C ATOM 735 C ALA A 96 40.716 -5.031 -1.987 1.00 15.65 C ATOM 736 O ALA A 96 41.454 -5.290 -1.027 1.00 15.04 O ATOM 737 CB ALA A 96 41.926 -5.291 -4.154 1.00 15.72 C ATOM 0 H ALA A 96 42.839 -3.538 -2.345 1.00 16.32 H new ATOM 0 HA ALA A 96 40.500 -3.913 -3.676 1.00 15.68 H new ATOM 0 HB1 ALA A 96 41.298 -5.986 -4.405 1.00 15.72 H new ATOM 0 HB2 ALA A 96 42.222 -4.821 -4.949 1.00 15.72 H new ATOM 0 HB3 ALA A 96 42.691 -5.691 -3.712 1.00 15.72 H new ATOM 738 N TYR A 97 39.426 -5.350 -2.043 1.00 14.93 N ATOM 739 CA TYR A 97 38.698 -5.849 -0.887 1.00 15.16 C ATOM 740 C TYR A 97 37.815 -7.032 -1.209 1.00 15.23 C ATOM 741 O TYR A 97 37.231 -7.128 -2.292 1.00 15.46 O ATOM 742 CB TYR A 97 37.813 -4.741 -0.317 1.00 14.97 C ATOM 743 CG TYR A 97 38.594 -3.615 0.285 1.00 14.53 C ATOM 744 CD1 TYR A 97 38.982 -2.526 -0.485 1.00 14.49 C ATOM 745 CD2 TYR A 97 38.964 -3.646 1.628 1.00 14.76 C ATOM 746 CE1 TYR A 97 39.728 -1.487 0.065 1.00 13.93 C ATOM 747 CE2 TYR A 97 39.710 -2.626 2.188 1.00 15.08 C ATOM 748 CZ TYR A 97 40.086 -1.544 1.406 1.00 15.47 C ATOM 749 OH TYR A 97 40.821 -0.516 1.954 1.00 15.24 O ATOM 0 H TYR A 97 38.949 -5.282 -2.756 1.00 14.93 H new ATOM 0 HA TYR A 97 39.367 -6.137 -0.246 1.00 15.16 H new ATOM 0 HB2 TYR A 97 37.246 -4.393 -1.023 1.00 14.97 H new ATOM 0 HB3 TYR A 97 37.227 -5.118 0.358 1.00 14.97 H new ATOM 0 HD1 TYR A 97 38.740 -2.490 -1.382 1.00 14.49 H new ATOM 0 HD2 TYR A 97 38.704 -4.366 2.157 1.00 14.76 H new ATOM 0 HE1 TYR A 97 39.984 -0.763 -0.460 1.00 13.93 H new ATOM 0 HE2 TYR A 97 39.958 -2.665 3.083 1.00 15.08 H new ATOM 0 HH TYR A 97 40.978 -0.683 2.762 1.00 15.24 H new ATOM 750 N LYS A 98 37.705 -7.927 -0.240 1.00 15.57 N ATOM 751 CA LYS A 98 36.676 -8.952 -0.273 1.00 16.42 C ATOM 752 C LYS A 98 35.418 -8.388 0.401 1.00 15.74 C ATOM 753 O LYS A 98 35.494 -7.817 1.498 1.00 16.38 O ATOM 754 CB LYS A 98 37.175 -10.213 0.435 1.00 16.40 C ATOM 755 CG LYS A 98 36.128 -11.289 0.705 1.00 17.73 C ATOM 756 CD LYS A 98 36.732 -12.471 1.475 1.00 18.40 C ATOM 757 CE LYS A 98 37.422 -12.041 2.787 1.00 21.72 C ATOM 758 NZ LYS A 98 36.492 -11.744 3.917 1.00 23.24 N ATOM 0 H LYS A 98 38.219 -7.958 0.449 1.00 15.57 H new ATOM 0 HA LYS A 98 36.464 -9.198 -1.187 1.00 16.42 H new ATOM 0 HB2 LYS A 98 37.883 -10.604 -0.100 1.00 16.40 H new ATOM 0 HB3 LYS A 98 37.570 -9.952 1.282 1.00 16.40 H new ATOM 0 HG2 LYS A 98 35.394 -10.909 1.214 1.00 17.73 H new ATOM 0 HG3 LYS A 98 35.758 -11.602 -0.135 1.00 17.73 H new ATOM 0 HD2 LYS A 98 36.032 -13.111 1.677 1.00 18.40 H new ATOM 0 HD3 LYS A 98 37.376 -12.925 0.909 1.00 18.40 H new ATOM 0 HE2 LYS A 98 38.031 -12.744 3.062 1.00 21.72 H new ATOM 0 HE3 LYS A 98 37.959 -11.253 2.612 1.00 21.72 H new ATOM 0 HZ1 LYS A 98 36.958 -11.449 4.616 1.00 23.24 H new ATOM 0 HZ2 LYS A 98 35.908 -11.121 3.666 1.00 23.24 H new ATOM 0 HZ3 LYS A 98 36.055 -12.485 4.144 1.00 23.24 H new ATOM 759 N THR A 99 34.281 -8.533 -0.280 1.00 15.45 N ATOM 760 CA THR A 99 32.973 -8.054 0.171 1.00 14.80 C ATOM 761 C THR A 99 32.175 -9.224 0.752 1.00 14.94 C ATOM 762 O THR A 99 31.937 -10.212 0.053 1.00 14.72 O ATOM 763 CB THR A 99 32.170 -7.411 -1.008 1.00 14.30 C ATOM 764 OG1 THR A 99 32.844 -6.238 -1.478 1.00 14.72 O ATOM 765 CG2 THR A 99 30.732 -7.043 -0.593 1.00 14.40 C ATOM 0 H THR A 99 34.249 -8.927 -1.044 1.00 15.45 H new ATOM 0 HA THR A 99 33.114 -7.376 0.850 1.00 14.80 H new ATOM 0 HB THR A 99 32.118 -8.071 -1.717 1.00 14.30 H new ATOM 0 HG1 THR A 99 32.971 -5.711 -0.836 1.00 14.72 H new ATOM 0 HG21 THR A 99 30.268 -6.649 -1.348 1.00 14.40 H new ATOM 0 HG22 THR A 99 30.263 -7.842 -0.307 1.00 14.40 H new ATOM 0 HG23 THR A 99 30.759 -6.406 0.138 1.00 14.40 H new ATOM 766 N THR A 100 31.770 -9.118 2.024 1.00 14.82 N ATOM 767 CA THR A 100 30.957 -10.155 2.660 1.00 15.17 C ATOM 768 C THR A 100 29.742 -9.573 3.370 1.00 14.62 C ATOM 769 O THR A 100 29.857 -8.845 4.355 1.00 15.61 O ATOM 770 CB THR A 100 31.777 -10.997 3.670 1.00 15.29 C ATOM 771 OG1 THR A 100 32.963 -11.489 3.039 1.00 16.94 O ATOM 772 CG2 THR A 100 30.958 -12.186 4.198 1.00 16.13 C ATOM 0 H THR A 100 31.957 -8.451 2.534 1.00 14.82 H new ATOM 0 HA THR A 100 30.655 -10.731 1.941 1.00 15.17 H new ATOM 0 HB THR A 100 32.009 -10.424 4.418 1.00 15.29 H new ATOM 0 HG1 THR A 100 32.896 -11.398 2.207 1.00 16.94 H new ATOM 0 HG21 THR A 100 31.494 -12.695 4.827 1.00 16.13 H new ATOM 0 HG22 THR A 100 30.162 -11.858 4.644 1.00 16.13 H new ATOM 0 HG23 THR A 100 30.701 -12.757 3.457 1.00 16.13 H new ATOM 773 N GLN A 101 28.571 -9.918 2.858 1.00 12.63 N ATOM 774 CA GLN A 101 27.306 -9.544 3.462 1.00 11.48 C ATOM 775 C GLN A 101 27.011 -10.469 4.639 1.00 10.28 C ATOM 776 O GLN A 101 27.310 -11.662 4.586 1.00 10.22 O ATOM 777 CB GLN A 101 26.194 -9.650 2.415 1.00 11.80 C ATOM 778 CG GLN A 101 24.794 -9.373 2.925 1.00 13.58 C ATOM 779 CD GLN A 101 24.628 -7.970 3.457 1.00 13.41 C ATOM 780 OE1 GLN A 101 25.223 -7.025 2.941 1.00 14.30 O ATOM 781 NE2 GLN A 101 23.805 -7.823 4.484 1.00 11.86 N ATOM 0 H GLN A 101 28.489 -10.383 2.139 1.00 12.63 H new ATOM 0 HA GLN A 101 27.353 -8.630 3.784 1.00 11.48 H new ATOM 0 HB2 GLN A 101 26.388 -9.030 1.695 1.00 11.80 H new ATOM 0 HB3 GLN A 101 26.213 -10.542 2.034 1.00 11.80 H new ATOM 0 HG2 GLN A 101 24.159 -9.519 2.207 1.00 13.58 H new ATOM 0 HG3 GLN A 101 24.579 -10.007 3.627 1.00 13.58 H new ATOM 0 HE21 GLN A 101 23.407 -8.508 4.818 1.00 11.86 H new ATOM 0 HE22 GLN A 101 23.669 -7.042 4.817 1.00 11.86 H new ATOM 782 N ALA A 102 26.422 -9.908 5.692 1.00 8.98 N ATOM 783 CA ALA A 102 26.041 -10.679 6.872 1.00 8.39 C ATOM 784 C ALA A 102 24.873 -10.013 7.580 1.00 7.87 C ATOM 785 O ALA A 102 24.584 -8.844 7.343 1.00 7.61 O ATOM 786 CB ALA A 102 27.225 -10.813 7.821 1.00 9.51 C ATOM 0 H ALA A 102 26.232 -9.071 5.742 1.00 8.98 H new ATOM 0 HA ALA A 102 25.769 -11.566 6.589 1.00 8.39 H new ATOM 0 HB1 ALA A 102 26.959 -11.327 8.600 1.00 9.51 H new ATOM 0 HB2 ALA A 102 27.953 -11.267 7.368 1.00 9.51 H new ATOM 0 HB3 ALA A 102 27.518 -9.931 8.100 1.00 9.51 H new ATOM 787 N ASN A 103 24.187 -10.776 8.430 1.00 7.01 N ATOM 788 CA ASN A 103 23.200 -10.215 9.342 1.00 7.17 C ATOM 789 C ASN A 103 23.646 -10.542 10.751 1.00 7.26 C ATOM 790 O ASN A 103 23.618 -11.688 11.173 1.00 7.69 O ATOM 791 CB ASN A 103 21.795 -10.738 9.033 1.00 7.38 C ATOM 792 CG ASN A 103 21.284 -10.223 7.715 1.00 8.57 C ATOM 793 OD1 ASN A 103 20.665 -9.163 7.650 1.00 11.97 O ATOM 794 ND2 ASN A 103 21.570 -10.949 6.647 1.00 10.67 N ATOM 0 H ASN A 103 24.282 -11.628 8.492 1.00 7.01 H new ATOM 0 HA ASN A 103 23.144 -9.252 9.237 1.00 7.17 H new ATOM 0 HB2 ASN A 103 21.807 -11.708 9.019 1.00 7.38 H new ATOM 0 HB3 ASN A 103 21.188 -10.472 9.741 1.00 7.38 H new ATOM 0 HD21 ASN A 103 21.321 -10.684 5.868 1.00 10.67 H new ATOM 0 HD22 ASN A 103 22.005 -11.686 6.732 1.00 10.67 H new ATOM 795 N LYS A 104 24.113 -9.521 11.455 1.00 6.74 N ATOM 796 CA LYS A 104 24.761 -9.698 12.752 1.00 7.31 C ATOM 797 C LYS A 104 24.361 -8.576 13.701 1.00 6.95 C ATOM 798 O LYS A 104 23.868 -7.528 13.270 1.00 7.28 O ATOM 799 CB LYS A 104 26.291 -9.722 12.569 1.00 7.51 C ATOM 800 CG LYS A 104 26.804 -11.012 11.946 1.00 8.45 C ATOM 801 CD LYS A 104 28.307 -11.014 11.786 1.00 9.08 C ATOM 802 CE LYS A 104 28.765 -12.380 11.307 1.00 12.11 C ATOM 803 NZ LYS A 104 30.245 -12.430 11.159 1.00 14.18 N ATOM 0 H LYS A 104 24.064 -8.702 11.196 1.00 6.74 H new ATOM 0 HA LYS A 104 24.474 -10.541 13.136 1.00 7.31 H new ATOM 0 HB2 LYS A 104 26.555 -8.974 12.011 1.00 7.51 H new ATOM 0 HB3 LYS A 104 26.715 -9.596 13.432 1.00 7.51 H new ATOM 0 HG2 LYS A 104 26.539 -11.764 12.499 1.00 8.45 H new ATOM 0 HG3 LYS A 104 26.388 -11.137 11.079 1.00 8.45 H new ATOM 0 HD2 LYS A 104 28.575 -10.332 11.151 1.00 9.08 H new ATOM 0 HD3 LYS A 104 28.732 -10.798 12.631 1.00 9.08 H new ATOM 0 HE2 LYS A 104 28.477 -13.060 11.937 1.00 12.11 H new ATOM 0 HE3 LYS A 104 28.345 -12.585 10.457 1.00 12.11 H new ATOM 0 HZ1 LYS A 104 30.499 -13.266 10.991 1.00 14.18 H new ATOM 0 HZ2 LYS A 104 30.494 -11.904 10.486 1.00 14.18 H new ATOM 0 HZ3 LYS A 104 30.628 -12.150 11.912 1.00 14.18 H new ATOM 804 N HIS A 105 24.569 -8.790 14.996 1.00 7.37 N ATOM 805 CA HIS A 105 24.418 -7.693 15.946 1.00 7.26 C ATOM 806 C HIS A 105 25.647 -6.820 15.832 1.00 7.88 C ATOM 807 O HIS A 105 26.763 -7.329 15.718 1.00 9.14 O ATOM 808 CB HIS A 105 24.277 -8.216 17.374 1.00 7.73 C ATOM 809 CG HIS A 105 23.132 -9.159 17.546 1.00 8.78 C ATOM 810 ND1 HIS A 105 21.890 -8.764 17.997 1.00 11.41 N ATOM 811 CD2 HIS A 105 23.034 -10.481 17.284 1.00 11.39 C ATOM 812 CE1 HIS A 105 21.084 -9.810 18.027 1.00 11.95 C ATOM 813 NE2 HIS A 105 21.752 -10.863 17.597 1.00 11.62 N ATOM 0 H HIS A 105 24.793 -9.546 15.340 1.00 7.37 H new ATOM 0 HA HIS A 105 23.614 -7.189 15.743 1.00 7.26 H new ATOM 0 HB2 HIS A 105 25.098 -8.664 17.631 1.00 7.73 H new ATOM 0 HB3 HIS A 105 24.163 -7.465 17.977 1.00 7.73 H new ATOM 0 HD1 HIS A 105 21.674 -7.963 18.223 1.00 11.41 H new ATOM 0 HD2 HIS A 105 23.708 -11.030 16.954 1.00 11.39 H new ATOM 0 HE1 HIS A 105 20.196 -9.805 18.304 1.00 11.95 H new ATOM 814 N ILE A 106 25.448 -5.514 15.823 1.00 6.65 N ATOM 815 CA ILE A 106 26.598 -4.612 15.759 1.00 6.41 C ATOM 816 C ILE A 106 26.939 -4.112 17.155 1.00 5.73 C ATOM 817 O ILE A 106 26.076 -4.049 18.053 1.00 5.32 O ATOM 818 CB ILE A 106 26.370 -3.416 14.796 1.00 6.63 C ATOM 819 CG1 ILE A 106 25.273 -2.471 15.309 1.00 7.37 C ATOM 820 CG2 ILE A 106 26.024 -3.939 13.392 1.00 8.24 C ATOM 821 CD1 ILE A 106 25.163 -1.161 14.540 1.00 6.84 C ATOM 0 H ILE A 106 24.679 -5.131 15.852 1.00 6.65 H new ATOM 0 HA ILE A 106 27.343 -5.119 15.401 1.00 6.41 H new ATOM 0 HB ILE A 106 27.192 -2.902 14.753 1.00 6.63 H new ATOM 0 HG12 ILE A 106 24.420 -2.931 15.268 1.00 7.37 H new ATOM 0 HG13 ILE A 106 25.443 -2.272 16.243 1.00 7.37 H new ATOM 0 HG21 ILE A 106 25.882 -3.189 12.793 1.00 8.24 H new ATOM 0 HG22 ILE A 106 26.755 -4.484 13.060 1.00 8.24 H new ATOM 0 HG23 ILE A 106 25.216 -4.474 13.436 1.00 8.24 H new ATOM 0 HD11 ILE A 106 24.453 -0.621 14.920 1.00 6.84 H new ATOM 0 HD12 ILE A 106 26.003 -0.679 14.600 1.00 6.84 H new ATOM 0 HD13 ILE A 106 24.963 -1.348 13.609 1.00 6.84 H new ATOM 822 N ILE A 107 28.201 -3.751 17.345 1.00 5.63 N ATOM 823 CA ILE A 107 28.652 -3.119 18.587 1.00 5.33 C ATOM 824 C ILE A 107 29.318 -1.812 18.184 1.00 5.60 C ATOM 825 O ILE A 107 30.271 -1.809 17.402 1.00 5.50 O ATOM 826 CB ILE A 107 29.648 -4.001 19.368 1.00 5.56 C ATOM 827 CG1 ILE A 107 29.017 -5.360 19.714 1.00 4.93 C ATOM 828 CG2 ILE A 107 30.133 -3.255 20.613 1.00 5.82 C ATOM 829 CD1 ILE A 107 29.962 -6.362 20.400 1.00 6.51 C ATOM 0 H ILE A 107 28.822 -3.863 16.761 1.00 5.63 H new ATOM 0 HA ILE A 107 27.896 -2.979 19.178 1.00 5.33 H new ATOM 0 HB ILE A 107 30.421 -4.185 18.811 1.00 5.56 H new ATOM 0 HG12 ILE A 107 28.253 -5.209 20.293 1.00 4.93 H new ATOM 0 HG13 ILE A 107 28.679 -5.761 18.898 1.00 4.93 H new ATOM 0 HG21 ILE A 107 30.759 -3.813 21.101 1.00 5.82 H new ATOM 0 HG22 ILE A 107 30.573 -2.433 20.347 1.00 5.82 H new ATOM 0 HG23 ILE A 107 29.375 -3.046 21.181 1.00 5.82 H new ATOM 0 HD11 ILE A 107 29.484 -7.186 20.581 1.00 6.51 H new ATOM 0 HD12 ILE A 107 30.716 -6.547 19.818 1.00 6.51 H new ATOM 0 HD13 ILE A 107 30.283 -5.985 21.234 1.00 6.51 H new ATOM 830 N VAL A 108 28.791 -0.709 18.698 1.00 5.41 N ATOM 831 CA VAL A 108 29.334 0.608 18.396 1.00 5.95 C ATOM 832 C VAL A 108 29.744 1.310 19.673 1.00 5.60 C ATOM 833 O VAL A 108 29.202 1.035 20.747 1.00 5.53 O ATOM 834 CB VAL A 108 28.316 1.497 17.630 1.00 6.25 C ATOM 835 CG1 VAL A 108 28.009 0.891 16.258 1.00 7.76 C ATOM 836 CG2 VAL A 108 27.024 1.697 18.438 1.00 7.08 C ATOM 0 H VAL A 108 28.114 -0.702 19.228 1.00 5.41 H new ATOM 0 HA VAL A 108 30.107 0.474 17.826 1.00 5.95 H new ATOM 0 HB VAL A 108 28.718 2.370 17.502 1.00 6.25 H new ATOM 0 HG11 VAL A 108 27.373 1.454 15.790 1.00 7.76 H new ATOM 0 HG12 VAL A 108 28.827 0.829 15.741 1.00 7.76 H new ATOM 0 HG13 VAL A 108 27.632 0.005 16.373 1.00 7.76 H new ATOM 0 HG21 VAL A 108 26.410 2.255 17.935 1.00 7.08 H new ATOM 0 HG22 VAL A 108 26.612 0.836 18.608 1.00 7.08 H new ATOM 0 HG23 VAL A 108 27.233 2.127 19.282 1.00 7.08 H new ATOM 837 N ALA A 109 30.741 2.182 19.565 1.00 5.72 N ATOM 838 CA ALA A 109 31.097 3.073 20.684 1.00 5.73 C ATOM 839 C ALA A 109 30.329 4.364 20.502 1.00 6.14 C ATOM 840 O ALA A 109 30.251 4.876 19.378 1.00 7.07 O ATOM 841 CB ALA A 109 32.587 3.359 20.686 1.00 6.76 C ATOM 0 H ALA A 109 31.225 2.279 18.861 1.00 5.72 H new ATOM 0 HA ALA A 109 30.873 2.652 21.529 1.00 5.73 H new ATOM 0 HB1 ALA A 109 32.803 3.946 21.428 1.00 6.76 H new ATOM 0 HB2 ALA A 109 33.076 2.527 20.780 1.00 6.76 H new ATOM 0 HB3 ALA A 109 32.836 3.788 19.852 1.00 6.76 H new ATOM 842 N CYS A 110 29.758 4.881 21.593 1.00 5.89 N ATOM 843 CA CYS A 110 28.977 6.124 21.527 1.00 6.01 C ATOM 844 C CYS A 110 29.573 7.174 22.449 1.00 5.47 C ATOM 845 O CYS A 110 30.101 6.862 23.524 1.00 5.71 O ATOM 846 CB CYS A 110 27.520 5.880 21.913 1.00 7.35 C ATOM 847 SG CYS A 110 26.746 4.614 20.917 1.00 8.09 S ATOM 0 H CYS A 110 29.809 4.531 22.377 1.00 5.89 H new ATOM 0 HA CYS A 110 29.008 6.442 20.611 1.00 6.01 H new ATOM 0 HB2 CYS A 110 27.475 5.624 22.847 1.00 7.35 H new ATOM 0 HB3 CYS A 110 27.022 6.707 21.822 1.00 7.35 H new ATOM 848 N GLU A 111 29.492 8.428 22.013 1.00 5.18 N ATOM 849 CA GLU A 111 30.016 9.563 22.766 1.00 5.29 C ATOM 850 C GLU A 111 29.200 10.793 22.448 1.00 5.28 C ATOM 851 O GLU A 111 28.492 10.843 21.442 1.00 6.07 O ATOM 852 CB GLU A 111 31.453 9.880 22.381 1.00 5.32 C ATOM 853 CG GLU A 111 32.459 8.787 22.728 1.00 7.06 C ATOM 854 CD GLU A 111 33.879 9.192 22.482 1.00 13.58 C ATOM 855 OE1 GLU A 111 34.130 9.953 21.531 1.00 15.51 O ATOM 856 OE2 GLU A 111 34.763 8.683 23.212 1.00 17.26 O ATOM 0 H GLU A 111 29.128 8.646 21.265 1.00 5.18 H new ATOM 0 HA GLU A 111 29.973 9.328 23.706 1.00 5.29 H new ATOM 0 HB2 GLU A 111 31.490 10.046 21.426 1.00 5.32 H new ATOM 0 HB3 GLU A 111 31.720 10.701 22.823 1.00 5.32 H new ATOM 0 HG2 GLU A 111 32.355 8.545 23.661 1.00 7.06 H new ATOM 0 HG3 GLU A 111 32.260 7.995 22.205 1.00 7.06 H new ATOM 857 N GLY A 112 29.338 11.794 23.306 1.00 5.01 N ATOM 858 CA GLY A 112 28.806 13.131 23.047 1.00 5.53 C ATOM 859 C GLY A 112 27.424 13.417 23.578 1.00 6.54 C ATOM 860 O GLY A 112 26.780 12.567 24.190 1.00 6.84 O ATOM 0 H GLY A 112 29.745 11.720 24.060 1.00 5.01 H new ATOM 0 HA2 GLY A 112 29.418 13.781 23.427 1.00 5.53 H new ATOM 0 HA3 GLY A 112 28.799 13.275 22.088 1.00 5.53 H new ATOM 861 N ASN A 113 26.991 14.655 23.343 1.00 7.27 N ATOM 862 CA ASN A 113 25.620 15.068 23.579 1.00 8.41 C ATOM 863 C ASN A 113 25.170 15.827 22.330 1.00 8.47 C ATOM 864 O ASN A 113 25.624 16.959 22.115 1.00 9.35 O ATOM 865 CB ASN A 113 25.515 15.955 24.821 1.00 8.77 C ATOM 866 CG ASN A 113 24.072 16.234 25.225 1.00 9.69 C ATOM 867 OD1 ASN A 113 23.130 15.730 24.614 1.00 11.26 O ATOM 868 ND2 ASN A 113 23.900 17.026 26.275 1.00 13.75 N ATOM 0 H ASN A 113 27.495 15.282 23.039 1.00 7.27 H new ATOM 0 HA ASN A 113 25.054 14.298 23.742 1.00 8.41 H new ATOM 0 HB2 ASN A 113 25.977 15.527 25.559 1.00 8.77 H new ATOM 0 HB3 ASN A 113 25.968 16.796 24.652 1.00 8.77 H new ATOM 0 HD21 ASN A 113 23.106 17.205 26.553 1.00 13.75 H new ATOM 0 HD22 ASN A 113 24.582 17.361 26.678 1.00 13.75 H new ATOM 869 N PRO A 114 24.305 15.205 21.498 1.00 9.14 N ATOM 870 CA PRO A 114 23.615 13.931 21.719 1.00 8.75 C ATOM 871 C PRO A 114 24.576 12.736 21.715 1.00 8.37 C ATOM 872 O PRO A 114 25.674 12.796 21.127 1.00 8.17 O ATOM 873 CB PRO A 114 22.657 13.847 20.527 1.00 9.26 C ATOM 874 CG PRO A 114 23.367 14.594 19.450 1.00 9.74 C ATOM 875 CD PRO A 114 23.966 15.767 20.173 1.00 8.90 C ATOM 0 HA PRO A 114 23.177 13.898 22.584 1.00 8.75 H new ATOM 0 HB2 PRO A 114 22.487 12.927 20.270 1.00 9.26 H new ATOM 0 HB3 PRO A 114 21.798 14.248 20.732 1.00 9.26 H new ATOM 0 HG2 PRO A 114 24.049 14.049 19.027 1.00 9.74 H new ATOM 0 HG3 PRO A 114 22.757 14.878 18.751 1.00 9.74 H new ATOM 0 HD2 PRO A 114 24.751 16.108 19.716 1.00 8.90 H new ATOM 0 HD3 PRO A 114 23.338 16.503 20.245 1.00 8.90 H new ATOM 876 N TYR A 115 24.150 11.662 22.372 1.00 7.56 N ATOM 877 CA TYR A 115 24.953 10.448 22.507 1.00 6.92 C ATOM 878 C TYR A 115 24.757 9.614 21.275 1.00 6.85 C ATOM 879 O TYR A 115 23.686 9.027 21.072 1.00 8.28 O ATOM 880 CB TYR A 115 24.492 9.676 23.719 1.00 6.41 C ATOM 881 CG TYR A 115 25.494 8.697 24.304 1.00 6.14 C ATOM 882 CD1 TYR A 115 26.766 9.112 24.692 1.00 6.42 C ATOM 883 CD2 TYR A 115 25.124 7.374 24.554 1.00 5.81 C ATOM 884 CE1 TYR A 115 27.654 8.225 25.289 1.00 6.75 C ATOM 885 CE2 TYR A 115 26.000 6.481 25.158 1.00 6.13 C ATOM 886 CZ TYR A 115 27.261 6.914 25.518 1.00 6.55 C ATOM 887 OH TYR A 115 28.130 6.020 26.122 1.00 7.30 O ATOM 0 H TYR A 115 23.381 11.616 22.755 1.00 7.56 H new ATOM 0 HA TYR A 115 25.891 10.673 22.612 1.00 6.92 H new ATOM 0 HB2 TYR A 115 24.245 10.310 24.410 1.00 6.41 H new ATOM 0 HB3 TYR A 115 23.688 9.187 23.483 1.00 6.41 H new ATOM 0 HD1 TYR A 115 27.024 9.994 24.550 1.00 6.42 H new ATOM 0 HD2 TYR A 115 24.274 7.085 24.311 1.00 5.81 H new ATOM 0 HE1 TYR A 115 28.506 8.508 25.533 1.00 6.75 H new ATOM 0 HE2 TYR A 115 25.740 5.602 25.318 1.00 6.13 H new ATOM 0 HH TYR A 115 27.703 5.345 26.380 1.00 7.30 H new ATOM 888 N VAL A 116 25.787 9.593 20.434 1.00 7.04 N ATOM 889 CA VAL A 116 25.684 8.998 19.104 1.00 6.90 C ATOM 890 C VAL A 116 26.880 8.114 18.781 1.00 6.69 C ATOM 891 O VAL A 116 27.916 8.200 19.436 1.00 5.78 O ATOM 892 CB VAL A 116 25.518 10.073 18.002 1.00 7.15 C ATOM 893 CG1 VAL A 116 24.155 10.780 18.149 1.00 7.45 C ATOM 894 CG2 VAL A 116 26.675 11.056 18.040 1.00 7.83 C ATOM 0 H VAL A 116 26.561 9.921 20.616 1.00 7.04 H new ATOM 0 HA VAL A 116 24.888 8.444 19.118 1.00 6.90 H new ATOM 0 HB VAL A 116 25.533 9.643 17.133 1.00 7.15 H new ATOM 0 HG11 VAL A 116 24.062 11.451 17.454 1.00 7.45 H new ATOM 0 HG12 VAL A 116 23.442 10.128 18.066 1.00 7.45 H new ATOM 0 HG13 VAL A 116 24.104 11.207 19.019 1.00 7.45 H new ATOM 0 HG21 VAL A 116 26.557 11.722 17.345 1.00 7.83 H new ATOM 0 HG22 VAL A 116 26.700 11.493 18.905 1.00 7.83 H new ATOM 0 HG23 VAL A 116 27.508 10.581 17.894 1.00 7.83 H new ATOM 895 N PRO A 117 26.725 7.232 17.784 1.00 6.83 N ATOM 896 CA PRO A 117 27.848 6.364 17.451 1.00 6.75 C ATOM 897 C PRO A 117 29.026 7.143 16.881 1.00 6.92 C ATOM 898 O PRO A 117 28.838 7.993 16.006 1.00 7.07 O ATOM 899 CB PRO A 117 27.262 5.422 16.382 1.00 7.38 C ATOM 900 CG PRO A 117 25.784 5.493 16.578 1.00 7.70 C ATOM 901 CD PRO A 117 25.528 6.924 16.973 1.00 7.23 C ATOM 0 HA PRO A 117 28.198 5.904 18.230 1.00 6.75 H new ATOM 0 HB2 PRO A 117 27.512 5.705 15.489 1.00 7.38 H new ATOM 0 HB3 PRO A 117 27.589 4.516 16.495 1.00 7.38 H new ATOM 0 HG2 PRO A 117 25.308 5.260 15.766 1.00 7.70 H new ATOM 0 HG3 PRO A 117 25.488 4.877 17.267 1.00 7.70 H new ATOM 0 HD2 PRO A 117 25.452 7.507 16.201 1.00 7.23 H new ATOM 0 HD3 PRO A 117 24.708 7.020 17.483 1.00 7.23 H new ATOM 902 N VAL A 118 30.226 6.830 17.374 1.00 6.71 N ATOM 903 CA VAL A 118 31.456 7.451 16.874 1.00 7.05 C ATOM 904 C VAL A 118 32.495 6.416 16.424 1.00 7.05 C ATOM 905 O VAL A 118 33.451 6.774 15.759 1.00 7.27 O ATOM 906 CB VAL A 118 32.076 8.439 17.882 1.00 7.53 C ATOM 907 CG1 VAL A 118 31.149 9.614 18.120 1.00 7.39 C ATOM 908 CG2 VAL A 118 32.375 7.732 19.199 1.00 7.55 C ATOM 0 H VAL A 118 30.350 6.256 18.003 1.00 6.71 H new ATOM 0 HA VAL A 118 31.188 7.960 16.093 1.00 7.05 H new ATOM 0 HB VAL A 118 32.907 8.774 17.509 1.00 7.53 H new ATOM 0 HG11 VAL A 118 31.555 10.224 18.756 1.00 7.39 H new ATOM 0 HG12 VAL A 118 30.993 10.078 17.283 1.00 7.39 H new ATOM 0 HG13 VAL A 118 30.305 9.294 18.474 1.00 7.39 H new ATOM 0 HG21 VAL A 118 32.764 8.363 19.824 1.00 7.55 H new ATOM 0 HG22 VAL A 118 31.552 7.376 19.570 1.00 7.55 H new ATOM 0 HG23 VAL A 118 32.999 7.006 19.042 1.00 7.55 H new ATOM 909 N HIS A 119 32.308 5.144 16.787 1.00 6.47 N ATOM 910 CA HIS A 119 33.181 4.082 16.262 1.00 6.84 C ATOM 911 C HIS A 119 32.408 2.799 16.089 1.00 6.56 C ATOM 912 O HIS A 119 31.439 2.540 16.801 1.00 7.30 O ATOM 913 CB HIS A 119 34.400 3.802 17.144 1.00 7.93 C ATOM 914 CG HIS A 119 35.186 5.018 17.496 1.00 9.10 C ATOM 915 ND1 HIS A 119 35.936 5.714 16.570 1.00 11.06 N ATOM 916 CD2 HIS A 119 35.341 5.665 18.674 1.00 12.60 C ATOM 917 CE1 HIS A 119 36.509 6.747 17.163 1.00 12.35 C ATOM 918 NE2 HIS A 119 36.163 6.741 18.437 1.00 13.27 N ATOM 0 H HIS A 119 31.694 4.876 17.326 1.00 6.47 H new ATOM 0 HA HIS A 119 33.504 4.408 15.407 1.00 6.84 H new ATOM 0 HB2 HIS A 119 34.104 3.372 17.961 1.00 7.93 H new ATOM 0 HB3 HIS A 119 34.981 3.174 16.687 1.00 7.93 H new ATOM 0 HD2 HIS A 119 34.963 5.427 19.490 1.00 12.60 H new ATOM 0 HE1 HIS A 119 37.062 7.372 16.752 1.00 12.35 H new ATOM 0 HE2 HIS A 119 36.412 7.318 19.024 1.00 13.27 H new ATOM 919 N PHE A 120 32.852 2.007 15.122 1.00 6.30 N ATOM 920 CA PHE A 120 32.319 0.683 14.923 1.00 5.81 C ATOM 921 C PHE A 120 33.280 -0.296 15.582 1.00 6.06 C ATOM 922 O PHE A 120 34.430 -0.401 15.161 1.00 6.73 O ATOM 923 CB PHE A 120 32.129 0.374 13.436 1.00 6.26 C ATOM 924 CG PHE A 120 31.355 -0.880 13.207 1.00 5.97 C ATOM 925 CD1 PHE A 120 29.971 -0.849 13.016 1.00 6.72 C ATOM 926 CD2 PHE A 120 32.003 -2.113 13.263 1.00 6.44 C ATOM 927 CE1 PHE A 120 29.253 -2.033 12.848 1.00 7.79 C ATOM 928 CE2 PHE A 120 31.291 -3.303 13.090 1.00 7.75 C ATOM 929 CZ PHE A 120 29.915 -3.253 12.883 1.00 7.49 C ATOM 0 H PHE A 120 33.470 2.228 14.567 1.00 6.30 H new ATOM 0 HA PHE A 120 31.439 0.609 15.325 1.00 5.81 H new ATOM 0 HB2 PHE A 120 31.671 1.116 13.011 1.00 6.26 H new ATOM 0 HB3 PHE A 120 32.998 0.296 13.011 1.00 6.26 H new ATOM 0 HD1 PHE A 120 29.525 -0.033 13.001 1.00 6.72 H new ATOM 0 HD2 PHE A 120 32.920 -2.144 13.417 1.00 6.44 H new ATOM 0 HE1 PHE A 120 28.333 -2.005 12.713 1.00 7.79 H new ATOM 0 HE2 PHE A 120 31.732 -4.121 13.113 1.00 7.75 H new ATOM 0 HZ PHE A 120 29.436 -4.042 12.767 1.00 7.49 H new ATOM 930 N ASP A 121 32.811 -1.006 16.611 1.00 5.16 N ATOM 931 CA ASP A 121 33.712 -1.865 17.381 1.00 5.67 C ATOM 932 C ASP A 121 33.792 -3.309 16.901 1.00 5.80 C ATOM 933 O ASP A 121 34.886 -3.890 16.858 1.00 7.40 O ATOM 934 CB ASP A 121 33.346 -1.840 18.873 1.00 5.29 C ATOM 935 CG ASP A 121 34.540 -2.136 19.766 1.00 6.12 C ATOM 936 OD1 ASP A 121 35.596 -1.497 19.549 1.00 7.10 O ATOM 937 OD2 ASP A 121 34.446 -2.985 20.674 1.00 6.01 O ATOM 0 H ASP A 121 31.992 -1.005 16.875 1.00 5.16 H new ATOM 0 HA ASP A 121 34.593 -1.486 17.238 1.00 5.67 H new ATOM 0 HB2 ASP A 121 32.983 -0.970 19.100 1.00 5.29 H new ATOM 0 HB3 ASP A 121 32.648 -2.492 19.043 1.00 5.29 H new ATOM 938 N ALA A 122 32.636 -3.894 16.578 1.00 5.49 N ATOM 939 CA ALA A 122 32.576 -5.314 16.275 1.00 6.44 C ATOM 940 C ALA A 122 31.216 -5.677 15.754 1.00 6.83 C ATOM 941 O ALA A 122 30.262 -4.941 15.930 1.00 6.67 O ATOM 942 CB ALA A 122 32.857 -6.144 17.531 1.00 7.28 C ATOM 0 H ALA A 122 31.882 -3.484 16.530 1.00 5.49 H new ATOM 0 HA ALA A 122 33.248 -5.505 15.602 1.00 6.44 H new ATOM 0 HB1 ALA A 122 32.813 -7.088 17.312 1.00 7.28 H new ATOM 0 HB2 ALA A 122 33.741 -5.932 17.868 1.00 7.28 H new ATOM 0 HB3 ALA A 122 32.195 -5.939 18.209 1.00 7.28 H new ATOM 943 N SER A 123 31.125 -6.840 15.117 1.00 8.71 N ATOM 944 CA SER A 123 29.845 -7.455 14.845 1.00 10.02 C ATOM 945 C SER A 123 29.883 -8.842 15.444 1.00 10.16 C ATOM 946 O SER A 123 30.921 -9.501 15.396 1.00 10.46 O ATOM 947 CB SER A 123 29.604 -7.560 13.352 1.00 10.43 C ATOM 948 OG SER A 123 30.569 -8.391 12.750 1.00 13.78 O ATOM 0 H SER A 123 31.803 -7.288 14.834 1.00 8.71 H new ATOM 0 HA SER A 123 29.130 -6.921 15.226 1.00 10.02 H new ATOM 0 HB2 SER A 123 28.716 -7.915 13.187 1.00 10.43 H new ATOM 0 HB3 SER A 123 29.635 -6.677 12.952 1.00 10.43 H new ATOM 0 HG SER A 123 31.118 -7.920 12.323 1.00 13.78 H new ATOM 949 N VAL A 124 28.764 -9.279 16.008 1.00 10.16 N ATOM 950 CA VAL A 124 28.706 -10.577 16.675 1.00 10.89 C ATOM 951 C VAL A 124 27.459 -11.356 16.300 1.00 10.87 C ATOM 952 O VAL A 124 26.470 -10.791 15.852 1.00 11.08 O ATOM 953 CB VAL A 124 28.804 -10.462 18.226 1.00 11.12 C ATOM 954 CG1 VAL A 124 30.146 -9.867 18.640 1.00 12.02 C ATOM 955 CG2 VAL A 124 27.654 -9.648 18.798 1.00 11.85 C ATOM 956 OXT VAL A 124 27.422 -12.569 16.460 1.00 12.34 O ATOM 0 H VAL A 124 28.025 -8.840 16.016 1.00 10.16 H new ATOM 0 HA VAL A 124 29.484 -11.063 16.360 1.00 10.89 H new ATOM 0 HB VAL A 124 28.740 -11.358 18.592 1.00 11.12 H new ATOM 0 HG11 VAL A 124 30.188 -9.804 19.607 1.00 12.02 H new ATOM 0 HG12 VAL A 124 30.864 -10.436 18.322 1.00 12.02 H new ATOM 0 HG13 VAL A 124 30.241 -8.982 18.254 1.00 12.02 H new ATOM 0 HG21 VAL A 124 27.743 -9.595 19.762 1.00 11.85 H new ATOM 0 HG22 VAL A 124 27.672 -8.754 18.422 1.00 11.85 H new ATOM 0 HG23 VAL A 124 26.812 -10.075 18.575 1.00 11.85 H new TER 957 VAL A 124 ATOM 958 N LYS B 1 22.034 -17.013 29.283 1.00 15.85 N ATOM 959 CA LYS B 1 20.709 -16.408 29.583 1.00 15.57 C ATOM 960 C LYS B 1 20.857 -14.898 29.730 1.00 14.73 C ATOM 961 O LYS B 1 21.850 -14.420 30.274 1.00 14.80 O ATOM 962 CB LYS B 1 20.126 -16.959 30.896 1.00 15.84 C ATOM 963 CG LYS B 1 20.752 -18.237 31.445 1.00 16.73 C ATOM 964 CD LYS B 1 20.249 -18.491 32.865 1.00 16.57 C ATOM 965 CE LYS B 1 20.768 -19.799 33.436 1.00 17.50 C ATOM 966 NZ LYS B 1 21.894 -19.594 34.394 1.00 17.83 N ATOM 0 H1 LYS B 1 21.934 -17.883 29.126 1.00 15.85 H new ATOM 0 H2 LYS B 1 22.384 -16.621 28.565 1.00 15.85 H new ATOM 0 H3 LYS B 1 22.578 -16.898 29.978 1.00 15.85 H new ATOM 0 HA LYS B 1 20.113 -16.629 28.851 1.00 15.57 H new ATOM 0 HB2 LYS B 1 20.203 -16.269 31.574 1.00 15.84 H new ATOM 0 HB3 LYS B 1 19.179 -17.120 30.762 1.00 15.84 H new ATOM 0 HG2 LYS B 1 20.527 -18.988 30.874 1.00 16.73 H new ATOM 0 HG3 LYS B 1 21.719 -18.160 31.444 1.00 16.73 H new ATOM 0 HD2 LYS B 1 20.524 -17.759 33.439 1.00 16.57 H new ATOM 0 HD3 LYS B 1 19.279 -18.503 32.865 1.00 16.57 H new ATOM 0 HE2 LYS B 1 20.044 -20.263 33.886 1.00 17.50 H new ATOM 0 HE3 LYS B 1 21.064 -20.371 32.711 1.00 17.50 H new ATOM 0 HZ1 LYS B 1 22.168 -20.382 34.704 1.00 17.83 H new ATOM 0 HZ2 LYS B 1 22.568 -19.189 33.978 1.00 17.83 H new ATOM 0 HZ3 LYS B 1 21.618 -19.088 35.072 1.00 17.83 H new ATOM 967 N GLU B 2 19.867 -14.152 29.249 1.00 13.47 N ATOM 968 CA GLU B 2 19.748 -12.737 29.577 1.00 12.30 C ATOM 969 C GLU B 2 19.425 -12.625 31.063 1.00 12.05 C ATOM 970 O GLU B 2 18.548 -13.331 31.566 1.00 12.32 O ATOM 971 CB GLU B 2 18.620 -12.126 28.752 1.00 12.52 C ATOM 972 CG GLU B 2 18.410 -10.641 28.969 1.00 11.15 C ATOM 973 CD GLU B 2 17.280 -10.087 28.117 1.00 11.12 C ATOM 974 OE1 GLU B 2 16.211 -10.720 28.031 1.00 12.57 O ATOM 975 OE2 GLU B 2 17.465 -9.001 27.540 1.00 9.68 O ATOM 0 H GLU B 2 19.251 -14.449 28.728 1.00 13.47 H new ATOM 0 HA GLU B 2 20.573 -12.266 29.379 1.00 12.30 H new ATOM 0 HB2 GLU B 2 18.803 -12.280 27.812 1.00 12.52 H new ATOM 0 HB3 GLU B 2 17.795 -12.591 28.961 1.00 12.52 H new ATOM 0 HG2 GLU B 2 18.216 -10.477 29.905 1.00 11.15 H new ATOM 0 HG3 GLU B 2 19.231 -10.167 28.762 1.00 11.15 H new ATOM 976 N THR B 3 20.138 -11.751 31.768 1.00 11.75 N ATOM 977 CA THR B 3 19.872 -11.538 33.184 1.00 11.18 C ATOM 978 C THR B 3 18.587 -10.725 33.348 1.00 10.95 C ATOM 979 O THR B 3 18.141 -10.045 32.412 1.00 10.34 O ATOM 980 CB THR B 3 21.022 -10.781 33.872 1.00 11.92 C ATOM 981 OG1 THR B 3 21.115 -9.460 33.319 1.00 11.29 O ATOM 982 CG2 THR B 3 22.352 -11.509 33.696 1.00 11.91 C ATOM 0 H THR B 3 20.777 -11.274 31.446 1.00 11.75 H new ATOM 0 HA THR B 3 19.783 -12.410 33.600 1.00 11.18 H new ATOM 0 HB THR B 3 20.833 -10.733 34.822 1.00 11.92 H new ATOM 0 HG1 THR B 3 21.835 -9.103 33.565 1.00 11.29 H new ATOM 0 HG21 THR B 3 23.056 -11.009 34.139 1.00 11.91 H new ATOM 0 HG22 THR B 3 22.290 -12.395 34.086 1.00 11.91 H new ATOM 0 HG23 THR B 3 22.556 -11.586 32.751 1.00 11.91 H new ATOM 983 N ALA B 4 17.993 -10.787 34.537 1.00 10.06 N ATOM 984 CA ALA B 4 16.790 -10.009 34.821 1.00 8.80 C ATOM 985 C ALA B 4 17.071 -8.504 34.688 1.00 8.69 C ATOM 986 O ALA B 4 16.250 -7.758 34.140 1.00 8.86 O ATOM 987 CB ALA B 4 16.249 -10.344 36.220 1.00 9.64 C ATOM 0 H ALA B 4 18.270 -11.272 35.191 1.00 10.06 H new ATOM 0 HA ALA B 4 16.112 -10.246 34.169 1.00 8.80 H new ATOM 0 HB1 ALA B 4 15.451 -9.820 36.393 1.00 9.64 H new ATOM 0 HB2 ALA B 4 16.031 -11.288 36.265 1.00 9.64 H new ATOM 0 HB3 ALA B 4 16.923 -10.136 36.886 1.00 9.64 H new ATOM 988 N ALA B 5 18.236 -8.081 35.181 1.00 9.06 N ATOM 989 CA ALA B 5 18.631 -6.675 35.096 1.00 8.47 C ATOM 990 C ALA B 5 18.752 -6.253 33.636 1.00 8.24 C ATOM 991 O ALA B 5 18.330 -5.154 33.255 1.00 8.18 O ATOM 992 CB ALA B 5 19.942 -6.426 35.851 1.00 9.31 C ATOM 0 H ALA B 5 18.810 -8.591 35.568 1.00 9.06 H new ATOM 0 HA ALA B 5 17.944 -6.135 35.517 1.00 8.47 H new ATOM 0 HB1 ALA B 5 20.183 -5.489 35.781 1.00 9.31 H new ATOM 0 HB2 ALA B 5 19.827 -6.661 36.785 1.00 9.31 H new ATOM 0 HB3 ALA B 5 20.646 -6.970 35.465 1.00 9.31 H new ATOM 993 N ALA B 6 19.317 -7.129 32.813 1.00 8.50 N ATOM 994 CA ALA B 6 19.486 -6.799 31.407 1.00 7.64 C ATOM 995 C ALA B 6 18.156 -6.770 30.665 1.00 8.02 C ATOM 996 O ALA B 6 17.936 -5.921 29.795 1.00 8.57 O ATOM 997 CB ALA B 6 20.467 -7.777 30.724 1.00 7.49 C ATOM 0 H ALA B 6 19.604 -7.906 33.044 1.00 8.50 H new ATOM 0 HA ALA B 6 19.862 -5.906 31.367 1.00 7.64 H new ATOM 0 HB1 ALA B 6 20.564 -7.538 29.789 1.00 7.49 H new ATOM 0 HB2 ALA B 6 21.331 -7.727 31.161 1.00 7.49 H new ATOM 0 HB3 ALA B 6 20.123 -8.681 30.792 1.00 7.49 H new ATOM 998 N LYS B 7 17.272 -7.700 31.011 1.00 8.14 N ATOM 999 CA LYS B 7 15.932 -7.706 30.447 1.00 7.71 C ATOM 1000 C LYS B 7 15.203 -6.400 30.795 1.00 8.01 C ATOM 1001 O LYS B 7 14.538 -5.816 29.938 1.00 7.83 O ATOM 1002 CB LYS B 7 15.146 -8.930 30.934 1.00 8.83 C ATOM 1003 CG LYS B 7 13.742 -8.994 30.375 1.00 9.87 C ATOM 1004 CD LYS B 7 13.047 -10.292 30.732 1.00 14.10 C ATOM 1005 CE LYS B 7 11.620 -10.307 30.210 1.00 16.84 C ATOM 1006 NZ LYS B 7 10.990 -11.626 30.462 1.00 19.10 N ATOM 0 H LYS B 7 17.430 -8.334 31.570 1.00 8.14 H new ATOM 0 HA LYS B 7 16.000 -7.765 29.481 1.00 7.71 H new ATOM 0 HB2 LYS B 7 15.625 -9.736 30.684 1.00 8.83 H new ATOM 0 HB3 LYS B 7 15.102 -8.915 31.903 1.00 8.83 H new ATOM 0 HG2 LYS B 7 13.225 -8.247 30.715 1.00 9.87 H new ATOM 0 HG3 LYS B 7 13.774 -8.900 29.410 1.00 9.87 H new ATOM 0 HD2 LYS B 7 13.539 -11.040 30.359 1.00 14.10 H new ATOM 0 HD3 LYS B 7 13.044 -10.407 31.695 1.00 14.10 H new ATOM 0 HE2 LYS B 7 11.104 -9.608 30.642 1.00 16.84 H new ATOM 0 HE3 LYS B 7 11.615 -10.116 29.259 1.00 16.84 H new ATOM 0 HZ1 LYS B 7 10.156 -11.621 30.152 1.00 19.10 H new ATOM 0 HZ2 LYS B 7 11.456 -12.262 30.049 1.00 19.10 H new ATOM 0 HZ3 LYS B 7 10.980 -11.788 31.337 1.00 19.10 H new ATOM 1007 N PHE B 8 15.373 -5.919 32.029 1.00 7.52 N ATOM 1008 CA PHE B 8 14.771 -4.647 32.429 1.00 7.14 C ATOM 1009 C PHE B 8 15.281 -3.510 31.554 1.00 7.17 C ATOM 1010 O PHE B 8 14.510 -2.660 31.098 1.00 7.84 O ATOM 1011 CB PHE B 8 15.012 -4.345 33.910 1.00 7.47 C ATOM 1012 CG PHE B 8 14.482 -3.009 34.328 1.00 7.05 C ATOM 1013 CD1 PHE B 8 13.199 -2.885 34.830 1.00 6.77 C ATOM 1014 CD2 PHE B 8 15.260 -1.865 34.193 1.00 6.82 C ATOM 1015 CE1 PHE B 8 12.693 -1.652 35.207 1.00 7.36 C ATOM 1016 CE2 PHE B 8 14.764 -0.636 34.553 1.00 7.34 C ATOM 1017 CZ PHE B 8 13.473 -0.525 35.064 1.00 6.06 C ATOM 0 H PHE B 8 15.829 -6.311 32.644 1.00 7.52 H new ATOM 0 HA PHE B 8 13.813 -4.726 32.302 1.00 7.14 H new ATOM 0 HB2 PHE B 8 14.594 -5.036 34.448 1.00 7.47 H new ATOM 0 HB3 PHE B 8 15.964 -4.381 34.092 1.00 7.47 H new ATOM 0 HD1 PHE B 8 12.667 -3.643 34.916 1.00 6.77 H new ATOM 0 HD2 PHE B 8 16.124 -1.932 33.856 1.00 6.82 H new ATOM 0 HE1 PHE B 8 11.833 -1.585 35.554 1.00 7.36 H new ATOM 0 HE2 PHE B 8 15.291 0.124 34.455 1.00 7.34 H new ATOM 0 HZ PHE B 8 13.138 0.308 35.308 1.00 6.06 H new ATOM 1018 N GLU B 9 16.590 -3.482 31.320 1.00 6.93 N ATOM 1019 CA GLU B 9 17.136 -2.426 30.472 1.00 7.08 C ATOM 1020 C GLU B 9 16.626 -2.516 29.037 1.00 6.95 C ATOM 1021 O GLU B 9 16.311 -1.487 28.430 1.00 7.04 O ATOM 1022 CB GLU B 9 18.659 -2.432 30.485 1.00 7.67 C ATOM 1023 CG GLU B 9 19.243 -2.044 31.842 1.00 7.80 C ATOM 1024 CD GLU B 9 20.741 -1.774 31.786 1.00 9.64 C ATOM 1025 OE1 GLU B 9 21.206 -1.210 30.764 1.00 13.18 O ATOM 1026 OE2 GLU B 9 21.453 -2.099 32.766 1.00 8.72 O ATOM 0 H GLU B 9 17.162 -4.044 31.630 1.00 6.93 H new ATOM 0 HA GLU B 9 16.825 -1.587 30.847 1.00 7.08 H new ATOM 0 HB2 GLU B 9 18.977 -3.316 30.242 1.00 7.67 H new ATOM 0 HB3 GLU B 9 18.986 -1.817 29.810 1.00 7.67 H new ATOM 0 HG2 GLU B 9 18.788 -1.253 32.171 1.00 7.80 H new ATOM 0 HG3 GLU B 9 19.071 -2.755 32.479 1.00 7.80 H new ATOM 1027 N ARG B 10 16.524 -3.733 28.497 1.00 6.87 N ATOM 1028 CA ARG B 10 16.037 -3.920 27.132 1.00 7.36 C ATOM 1029 C ARG B 10 14.578 -3.501 27.009 1.00 7.78 C ATOM 1030 O ARG B 10 14.184 -2.875 26.031 1.00 7.80 O ATOM 1031 CB ARG B 10 16.207 -5.372 26.703 1.00 7.94 C ATOM 1032 CG ARG B 10 15.639 -5.672 25.335 1.00 7.93 C ATOM 1033 CD ARG B 10 16.006 -7.088 24.862 1.00 8.03 C ATOM 1034 NE ARG B 10 15.541 -8.136 25.770 1.00 7.56 N ATOM 1035 CZ ARG B 10 14.306 -8.634 25.757 1.00 7.46 C ATOM 1036 NH1 ARG B 10 13.404 -8.182 24.888 1.00 9.10 N ATOM 1037 NH2 ARG B 10 13.985 -9.589 26.621 1.00 7.91 N ATOM 0 H ARG B 10 16.732 -4.461 28.905 1.00 6.87 H new ATOM 0 HA ARG B 10 16.564 -3.355 26.545 1.00 7.36 H new ATOM 0 HB2 ARG B 10 17.151 -5.594 26.708 1.00 7.94 H new ATOM 0 HB3 ARG B 10 15.777 -5.946 27.356 1.00 7.94 H new ATOM 0 HG2 ARG B 10 14.674 -5.579 25.358 1.00 7.93 H new ATOM 0 HG3 ARG B 10 15.972 -5.022 24.697 1.00 7.93 H new ATOM 0 HD2 ARG B 10 15.626 -7.238 23.982 1.00 8.03 H new ATOM 0 HD3 ARG B 10 16.969 -7.152 24.769 1.00 8.03 H new ATOM 0 HE ARG B 10 16.098 -8.449 26.346 1.00 7.56 H new ATOM 0 HH11 ARG B 10 13.617 -7.564 24.329 1.00 9.10 H new ATOM 0 HH12 ARG B 10 12.608 -8.508 24.885 1.00 9.10 H new ATOM 0 HH21 ARG B 10 14.571 -9.878 27.180 1.00 7.91 H new ATOM 0 HH22 ARG B 10 13.191 -9.918 26.622 1.00 7.91 H new ATOM 1038 N GLN B 11 13.769 -3.877 27.996 1.00 7.95 N ATOM 1039 CA GLN B 11 12.344 -3.610 27.894 1.00 8.29 C ATOM 1040 C GLN B 11 11.955 -2.206 28.307 1.00 8.64 C ATOM 1041 O GLN B 11 10.947 -1.690 27.826 1.00 8.79 O ATOM 1042 CB GLN B 11 11.531 -4.598 28.724 1.00 8.24 C ATOM 1043 CG GLN B 11 11.660 -6.017 28.292 1.00 9.09 C ATOM 1044 CD GLN B 11 10.617 -6.871 28.972 1.00 11.84 C ATOM 1045 OE1 GLN B 11 9.684 -7.346 28.330 1.00 17.03 O ATOM 1046 NE2 GLN B 11 10.734 -7.021 30.284 1.00 12.98 N ATOM 0 H GLN B 11 14.019 -4.278 28.715 1.00 7.95 H new ATOM 0 HA GLN B 11 12.141 -3.712 26.951 1.00 8.29 H new ATOM 0 HB2 GLN B 11 11.806 -4.528 29.652 1.00 8.24 H new ATOM 0 HB3 GLN B 11 10.596 -4.343 28.685 1.00 8.24 H new ATOM 0 HG2 GLN B 11 11.559 -6.079 27.329 1.00 9.09 H new ATOM 0 HG3 GLN B 11 12.547 -6.347 28.506 1.00 9.09 H new ATOM 0 HE21 GLN B 11 11.402 -6.673 30.699 1.00 12.98 H new ATOM 0 HE22 GLN B 11 10.142 -7.466 30.720 1.00 12.98 H new ATOM 1047 N HIS B 12 12.728 -1.587 29.199 1.00 8.29 N ATOM 1048 CA HIS B 12 12.260 -0.367 29.864 1.00 8.62 C ATOM 1049 C HIS B 12 13.146 0.870 29.853 1.00 9.59 C ATOM 1050 O HIS B 12 12.672 1.930 30.244 1.00 9.71 O ATOM 1051 CB HIS B 12 11.848 -0.675 31.308 1.00 9.21 C ATOM 1052 CG HIS B 12 10.797 -1.728 31.399 1.00 7.94 C ATOM 1053 ND1 HIS B 12 9.517 -1.538 30.923 1.00 7.98 N ATOM 1054 CD2 HIS B 12 10.834 -2.994 31.885 1.00 9.43 C ATOM 1055 CE1 HIS B 12 8.812 -2.639 31.108 1.00 10.08 C ATOM 1056 NE2 HIS B 12 9.590 -3.535 31.694 1.00 7.63 N ATOM 0 H HIS B 12 13.513 -1.850 29.431 1.00 8.29 H new ATOM 0 HA HIS B 12 11.516 -0.108 29.298 1.00 8.62 H new ATOM 0 HB2 HIS B 12 12.629 -0.960 31.809 1.00 9.21 H new ATOM 0 HB3 HIS B 12 11.523 0.137 31.727 1.00 9.21 H new ATOM 0 HD1 HIS B 12 9.223 -0.815 30.562 1.00 7.98 H new ATOM 0 HD2 HIS B 12 11.566 -3.415 32.274 1.00 9.43 H new ATOM 0 HE1 HIS B 12 7.922 -2.763 30.868 1.00 10.08 H new ATOM 1057 N MET B 13 14.410 0.735 29.463 1.00 10.06 N ATOM 1058 CA MET B 13 15.318 1.883 29.426 1.00 10.24 C ATOM 1059 C MET B 13 15.517 2.431 28.028 1.00 11.13 C ATOM 1060 O MET B 13 15.938 1.715 27.115 1.00 11.42 O ATOM 1061 CB MET B 13 16.681 1.533 30.029 1.00 10.15 C ATOM 1062 CG MET B 13 16.669 1.253 31.523 1.00 10.29 C ATOM 1063 SD MET B 13 16.082 2.659 32.511 1.00 7.97 S ATOM 1064 CE MET B 13 17.209 3.945 31.988 1.00 9.01 C ATOM 0 H MET B 13 14.763 -0.009 29.216 1.00 10.06 H new ATOM 0 HA MET B 13 14.893 2.572 29.960 1.00 10.24 H new ATOM 0 HB2 MET B 13 17.032 0.754 29.570 1.00 10.15 H new ATOM 0 HB3 MET B 13 17.294 2.265 29.855 1.00 10.15 H new ATOM 0 HG2 MET B 13 16.103 0.484 31.697 1.00 10.29 H new ATOM 0 HG3 MET B 13 17.565 1.016 31.809 1.00 10.29 H new ATOM 0 HE1 MET B 13 17.184 4.676 32.625 1.00 9.01 H new ATOM 0 HE2 MET B 13 18.109 3.587 31.942 1.00 9.01 H new ATOM 0 HE3 MET B 13 16.945 4.270 31.113 1.00 9.01 H new ATOM 1065 N ASP B 14 15.227 3.718 27.886 1.00 10.87 N ATOM 1066 CA ASP B 14 15.605 4.462 26.689 1.00 11.34 C ATOM 1067 C ASP B 14 16.062 5.850 27.118 1.00 12.26 C ATOM 1068 O ASP B 14 15.300 6.819 27.078 1.00 11.65 O ATOM 1069 CB ASP B 14 14.460 4.523 25.670 1.00 11.42 C ATOM 1070 CG ASP B 14 14.897 5.132 24.343 1.00 11.28 C ATOM 1071 OD1 ASP B 14 16.123 5.277 24.148 1.00 11.05 O ATOM 1072 OD2 ASP B 14 14.032 5.483 23.509 1.00 11.02 O ATOM 0 H ASP B 14 14.808 4.183 28.476 1.00 10.87 H new ATOM 0 HA ASP B 14 16.333 4.007 26.237 1.00 11.34 H new ATOM 0 HB2 ASP B 14 14.119 3.628 25.516 1.00 11.42 H new ATOM 0 HB3 ASP B 14 13.730 5.045 26.038 1.00 11.42 H new ATOM 1073 N SER B 15 17.328 5.932 27.519 1.00 13.35 N ATOM 1074 CA SER B 15 17.907 7.157 28.059 1.00 14.82 C ATOM 1075 C SER B 15 18.336 8.148 26.977 1.00 15.91 C ATOM 1076 O SER B 15 18.970 9.161 27.278 1.00 16.33 O ATOM 1077 CB SER B 15 19.123 6.817 28.923 1.00 14.53 C ATOM 1078 OG SER B 15 18.780 5.951 29.986 1.00 15.46 O ATOM 0 H SER B 15 17.879 5.272 27.485 1.00 13.35 H new ATOM 0 HA SER B 15 17.211 7.581 28.585 1.00 14.82 H new ATOM 0 HB2 SER B 15 19.805 6.401 28.373 1.00 14.53 H new ATOM 0 HB3 SER B 15 19.505 7.634 29.280 1.00 14.53 H new ATOM 0 HG SER B 15 18.297 6.361 30.537 1.00 15.46 H new ATOM 1079 N SER B 16 17.989 7.855 25.727 1.00 17.36 N ATOM 1080 CA SER B 16 18.467 8.625 24.575 1.00 18.96 C ATOM 1081 C SER B 16 17.857 10.017 24.448 1.00 20.01 C ATOM 1082 O SER B 16 18.556 10.982 24.128 1.00 20.12 O ATOM 1083 CB SER B 16 18.194 7.853 23.290 1.00 19.11 C ATOM 1084 OG SER B 16 16.806 7.606 23.139 1.00 19.71 O ATOM 0 H SER B 16 17.468 7.203 25.520 1.00 17.36 H new ATOM 0 HA SER B 16 19.417 8.750 24.723 1.00 18.96 H new ATOM 0 HB2 SER B 16 18.522 8.357 22.529 1.00 19.11 H new ATOM 0 HB3 SER B 16 18.677 7.012 23.304 1.00 19.11 H new ATOM 0 HG SER B 16 16.600 6.904 23.552 1.00 19.71 H new ATOM 1085 N THR B 17 16.550 10.107 24.675 1.00 21.18 N ATOM 1086 CA THR B 17 15.812 11.343 24.443 1.00 22.55 C ATOM 1087 C THR B 17 15.047 11.737 25.701 1.00 23.31 C ATOM 1088 O THR B 17 14.765 10.892 26.553 1.00 23.25 O ATOM 1089 CB THR B 17 14.810 11.187 23.273 1.00 22.59 C ATOM 1090 OG1 THR B 17 15.201 10.092 22.433 1.00 23.18 O ATOM 1091 CG2 THR B 17 14.739 12.458 22.446 1.00 22.88 C ATOM 0 H THR B 17 16.069 9.457 24.966 1.00 21.18 H new ATOM 0 HA THR B 17 16.455 12.033 24.214 1.00 22.55 H new ATOM 0 HB THR B 17 13.933 11.012 23.649 1.00 22.59 H new ATOM 0 HG1 THR B 17 14.652 10.013 21.802 1.00 23.18 H new ATOM 0 HG21 THR B 17 14.107 12.337 21.720 1.00 22.88 H new ATOM 0 HG22 THR B 17 14.450 13.194 23.008 1.00 22.88 H new ATOM 0 HG23 THR B 17 15.616 12.656 22.081 1.00 22.88 H new ATOM 1092 N SER B 18 14.719 13.022 25.814 1.00 24.39 N ATOM 1093 CA SER B 18 13.889 13.514 26.911 1.00 25.45 C ATOM 1094 C SER B 18 12.451 13.002 26.799 1.00 26.09 C ATOM 1095 O SER B 18 11.779 12.814 27.810 1.00 26.19 O ATOM 1096 CB SER B 18 13.903 15.045 26.958 1.00 25.37 C ATOM 1097 OG SER B 18 13.391 15.604 25.760 1.00 25.82 O ATOM 0 H SER B 18 14.970 13.630 25.260 1.00 24.39 H new ATOM 0 HA SER B 18 14.266 13.172 27.737 1.00 25.45 H new ATOM 0 HB2 SER B 18 13.375 15.352 27.712 1.00 25.37 H new ATOM 0 HB3 SER B 18 14.810 15.358 27.101 1.00 25.37 H new ATOM 0 HG SER B 18 13.408 16.442 25.812 1.00 25.82 H new ATOM 1098 N ALA B 19 11.996 12.780 25.565 1.00 26.97 N ATOM 1099 CA ALA B 19 10.628 12.336 25.279 1.00 27.68 C ATOM 1100 C ALA B 19 10.542 11.631 23.920 1.00 28.22 C ATOM 1101 O ALA B 19 11.503 11.641 23.147 1.00 28.42 O ATOM 1102 CB ALA B 19 9.665 13.528 25.323 1.00 27.64 C ATOM 0 H ALA B 19 12.479 12.884 24.861 1.00 26.97 H new ATOM 0 HA ALA B 19 10.372 11.696 25.962 1.00 27.68 H new ATOM 0 HB1 ALA B 19 8.764 13.223 25.133 1.00 27.64 H new ATOM 0 HB2 ALA B 19 9.690 13.932 26.205 1.00 27.64 H new ATOM 0 HB3 ALA B 19 9.931 14.184 24.660 1.00 27.64 H new ATOM 1103 N ALA B 20 9.390 11.021 23.640 1.00 28.76 N ATOM 1104 CA ALA B 20 9.134 10.360 22.356 1.00 29.16 C ATOM 1105 C ALA B 20 9.103 11.366 21.201 1.00 29.42 C ATOM 1106 O ALA B 20 8.464 12.415 21.298 1.00 29.48 O ATOM 1107 CB ALA B 20 7.833 9.573 22.417 1.00 29.18 C ATOM 0 H ALA B 20 8.731 10.978 24.191 1.00 28.76 H new ATOM 0 HA ALA B 20 9.865 9.745 22.187 1.00 29.16 H new ATOM 0 HB1 ALA B 20 7.675 9.141 21.563 1.00 29.18 H new ATOM 0 HB2 ALA B 20 7.894 8.900 23.113 1.00 29.18 H new ATOM 0 HB3 ALA B 20 7.099 10.176 22.614 1.00 29.18 H new ATOM 1108 N SER B 21 9.796 11.037 20.112 1.00 29.75 N ATOM 1109 CA SER B 21 9.956 11.960 18.983 1.00 29.84 C ATOM 1110 C SER B 21 8.699 12.087 18.117 1.00 29.58 C ATOM 1111 O SER B 21 8.385 13.175 17.623 1.00 30.04 O ATOM 1112 CB SER B 21 11.154 11.552 18.119 1.00 30.03 C ATOM 1113 OG SER B 21 12.344 11.498 18.889 1.00 30.73 O ATOM 0 H SER B 21 10.185 10.278 20.005 1.00 29.75 H new ATOM 0 HA SER B 21 10.115 12.835 19.370 1.00 29.84 H new ATOM 0 HB2 SER B 21 10.986 10.686 17.717 1.00 30.03 H new ATOM 0 HB3 SER B 21 11.264 12.186 17.393 1.00 30.03 H new ATOM 0 HG SER B 21 12.986 11.272 18.397 1.00 30.73 H new ATOM 1114 N SER B 22 7.994 10.973 17.936 1.00 29.10 N ATOM 1115 CA SER B 22 6.791 10.934 17.109 1.00 28.42 C ATOM 1116 C SER B 22 5.750 9.954 17.653 1.00 27.85 C ATOM 1117 O SER B 22 5.972 9.285 18.669 1.00 27.67 O ATOM 1118 CB SER B 22 7.152 10.583 15.658 1.00 28.54 C ATOM 1119 OG SER B 22 7.795 9.321 15.576 1.00 29.18 O ATOM 0 H SER B 22 8.200 10.217 18.290 1.00 29.10 H new ATOM 0 HA SER B 22 6.394 11.819 17.133 1.00 28.42 H new ATOM 0 HB2 SER B 22 6.348 10.574 15.116 1.00 28.54 H new ATOM 0 HB3 SER B 22 7.733 11.268 15.292 1.00 28.54 H new ATOM 0 HG SER B 22 7.980 9.152 14.774 1.00 29.18 H new ATOM 1120 N SER B 23 4.614 9.877 16.963 1.00 27.02 N ATOM 1121 CA SER B 23 3.551 8.932 17.293 1.00 26.35 C ATOM 1122 C SER B 23 3.937 7.499 16.922 1.00 25.79 C ATOM 1123 O SER B 23 3.261 6.545 17.315 1.00 25.55 O ATOM 1124 CB SER B 23 2.252 9.329 16.585 1.00 26.43 C ATOM 1125 OG SER B 23 2.415 9.306 15.176 1.00 26.70 O ATOM 0 H SER B 23 4.438 10.376 16.285 1.00 27.02 H new ATOM 0 HA SER B 23 3.415 8.963 18.253 1.00 26.35 H new ATOM 0 HB2 SER B 23 1.541 8.722 16.842 1.00 26.43 H new ATOM 0 HB3 SER B 23 1.983 10.217 16.869 1.00 26.43 H new ATOM 0 HG SER B 23 1.693 9.525 14.807 1.00 26.70 H new ATOM 1126 N ASN B 24 5.020 7.362 16.160 1.00 25.08 N ATOM 1127 CA ASN B 24 5.513 6.056 15.726 1.00 24.48 C ATOM 1128 C ASN B 24 6.597 5.487 16.653 1.00 23.99 C ATOM 1129 O ASN B 24 7.107 4.389 16.421 1.00 23.86 O ATOM 1130 CB ASN B 24 6.016 6.140 14.275 1.00 24.68 C ATOM 1131 CG ASN B 24 6.228 4.773 13.649 1.00 24.93 C ATOM 1132 OD1 ASN B 24 5.232 4.017 13.459 1.00 25.83 O ATOM 1133 ND2 ASN B 24 7.533 4.445 13.336 1.00 27.10 N ATOM 0 H ASN B 24 5.491 8.025 15.879 1.00 25.08 H new ATOM 0 HA ASN B 24 4.767 5.437 15.772 1.00 24.48 H new ATOM 0 HB2 ASN B 24 5.377 6.640 13.743 1.00 24.68 H new ATOM 0 HB3 ASN B 24 6.850 6.634 14.254 1.00 24.68 H new ATOM 0 HD21 ASN B 24 7.712 3.680 12.986 1.00 27.10 H new ATOM 0 HD22 ASN B 24 8.166 5.006 13.491 1.00 27.10 H new ATOM 1134 N TYR B 25 6.930 6.238 17.704 1.00 23.20 N ATOM 1135 CA TYR B 25 7.964 5.838 18.672 1.00 22.86 C ATOM 1136 C TYR B 25 7.777 4.413 19.189 1.00 22.69 C ATOM 1137 O TYR B 25 8.720 3.617 19.194 1.00 23.48 O ATOM 1138 CB TYR B 25 8.015 6.819 19.849 1.00 22.32 C ATOM 1139 CG TYR B 25 8.946 6.392 20.970 1.00 21.53 C ATOM 1140 CD1 TYR B 25 10.287 6.764 20.963 1.00 21.30 C ATOM 1141 CD2 TYR B 25 8.481 5.624 22.039 1.00 21.88 C ATOM 1142 CE1 TYR B 25 11.151 6.378 21.984 1.00 22.45 C ATOM 1143 CE2 TYR B 25 9.339 5.233 23.064 1.00 21.17 C ATOM 1144 CZ TYR B 25 10.670 5.615 23.029 1.00 21.47 C ATOM 1145 OH TYR B 25 11.533 5.232 24.035 1.00 20.58 O ATOM 0 H TYR B 25 6.564 6.996 17.879 1.00 23.20 H new ATOM 0 HA TYR B 25 8.808 5.861 18.194 1.00 22.86 H new ATOM 0 HB2 TYR B 25 8.295 7.688 19.522 1.00 22.32 H new ATOM 0 HB3 TYR B 25 7.120 6.926 20.208 1.00 22.32 H new ATOM 0 HD1 TYR B 25 10.613 7.281 20.262 1.00 21.30 H new ATOM 0 HD2 TYR B 25 7.587 5.370 22.067 1.00 21.88 H new ATOM 0 HE1 TYR B 25 12.045 6.632 21.962 1.00 22.45 H new ATOM 0 HE2 TYR B 25 9.020 4.718 23.769 1.00 21.17 H new ATOM 0 HH TYR B 25 12.294 5.085 23.711 1.00 20.58 H new ATOM 1146 N CYS B 26 6.566 4.098 19.639 1.00 22.27 N ATOM 1147 CA CYS B 26 6.282 2.774 20.193 1.00 21.89 C ATOM 1148 C CYS B 26 6.367 1.660 19.164 1.00 22.39 C ATOM 1149 O CYS B 26 6.910 0.601 19.439 1.00 23.32 O ATOM 1150 CB CYS B 26 4.930 2.755 20.898 1.00 21.05 C ATOM 1151 SG CYS B 26 4.953 3.634 22.462 1.00 18.27 S ATOM 0 H CYS B 26 5.894 4.635 19.633 1.00 22.27 H new ATOM 0 HA CYS B 26 6.980 2.600 20.844 1.00 21.89 H new ATOM 0 HB2 CYS B 26 4.261 3.152 20.318 1.00 21.05 H new ATOM 0 HB3 CYS B 26 4.662 1.835 21.052 1.00 21.05 H new ATOM 1152 N ASN B 27 5.863 1.893 17.962 1.00 22.83 N ATOM 1153 CA ASN B 27 6.001 0.861 16.944 1.00 23.57 C ATOM 1154 C ASN B 27 7.473 0.534 16.668 1.00 23.68 C ATOM 1155 O ASN B 27 7.832 -0.675 16.442 1.00 24.24 O ATOM 1156 CB ASN B 27 5.281 1.285 15.662 1.00 23.05 C ATOM 1157 CG ASN B 27 3.778 1.413 15.873 1.00 24.68 C ATOM 1158 OD1 ASN B 27 3.186 0.719 16.708 1.00 23.92 O ATOM 1159 ND2 ASN B 27 3.152 2.307 15.125 1.00 23.54 N ATOM 0 H ASN B 27 5.454 2.610 17.720 1.00 22.83 H new ATOM 0 HA ASN B 27 5.586 0.050 17.278 1.00 23.57 H new ATOM 0 HB2 ASN B 27 5.638 2.133 15.356 1.00 23.05 H new ATOM 0 HB3 ASN B 27 5.455 0.635 14.963 1.00 23.05 H new ATOM 0 HD21 ASN B 27 2.304 2.421 15.211 1.00 23.54 H new ATOM 0 HD22 ASN B 27 3.593 2.774 14.553 1.00 23.54 H new ATOM 1160 N GLN B 28 8.315 1.593 16.712 1.00 24.52 N ATOM 1161 CA GLN B 28 9.740 1.432 16.387 1.00 25.40 C ATOM 1162 C GLN B 28 10.458 0.773 17.548 1.00 25.22 C ATOM 1163 O GLN B 28 11.264 -0.144 17.368 1.00 25.36 O ATOM 1164 CB GLN B 28 10.373 2.798 16.101 1.00 25.36 C ATOM 1165 CG GLN B 28 11.729 2.757 15.387 1.00 27.81 C ATOM 1166 CD GLN B 28 12.933 2.766 16.332 1.00 29.07 C ATOM 1167 OE1 GLN B 28 12.795 2.915 17.550 1.00 30.39 O ATOM 1168 NE2 GLN B 28 14.127 2.614 15.760 1.00 30.76 N ATOM 0 H GLN B 28 8.080 2.393 16.924 1.00 24.52 H new ATOM 0 HA GLN B 28 9.821 0.874 15.598 1.00 25.40 H new ATOM 0 HB2 GLN B 28 9.756 3.317 15.562 1.00 25.36 H new ATOM 0 HB3 GLN B 28 10.481 3.270 16.942 1.00 25.36 H new ATOM 0 HG2 GLN B 28 11.769 1.960 14.835 1.00 27.81 H new ATOM 0 HG3 GLN B 28 11.793 3.519 14.790 1.00 27.81 H new ATOM 0 HE21 GLN B 28 14.186 2.512 14.908 1.00 30.76 H new ATOM 0 HE22 GLN B 28 14.839 2.617 16.243 1.00 30.76 H new ATOM 1169 N MET B 29 10.146 1.248 18.746 1.00 25.37 N ATOM 1170 CA MET B 29 10.841 0.813 19.943 1.00 25.50 C ATOM 1171 C MET B 29 10.439 -0.597 20.326 1.00 24.92 C ATOM 1172 O MET B 29 11.282 -1.390 20.755 1.00 24.70 O ATOM 1173 CB MET B 29 10.558 1.775 21.090 1.00 25.65 C ATOM 1174 CG MET B 29 11.304 3.076 20.977 1.00 27.29 C ATOM 1175 SD MET B 29 13.081 2.888 21.190 1.00 29.94 S ATOM 1176 CE MET B 29 13.169 2.234 22.859 1.00 29.52 C ATOM 0 H MET B 29 9.528 1.829 18.886 1.00 25.37 H new ATOM 0 HA MET B 29 11.793 0.812 19.758 1.00 25.50 H new ATOM 0 HB2 MET B 29 9.606 1.958 21.122 1.00 25.65 H new ATOM 0 HB3 MET B 29 10.793 1.347 21.928 1.00 25.65 H new ATOM 0 HG2 MET B 29 11.127 3.470 20.108 1.00 27.29 H new ATOM 0 HG3 MET B 29 10.967 3.695 21.643 1.00 27.29 H new ATOM 0 HE1 MET B 29 13.977 2.554 23.290 1.00 29.52 H new ATOM 0 HE2 MET B 29 12.395 2.529 23.364 1.00 29.52 H new ATOM 0 HE3 MET B 29 13.182 1.265 22.827 1.00 29.52 H new ATOM 1177 N MET B 30 9.155 -0.918 20.165 1.00 24.65 N ATOM 1178 CA MET B 30 8.693 -2.268 20.465 1.00 24.19 C ATOM 1179 C MET B 30 9.342 -3.274 19.505 1.00 23.90 C ATOM 1180 O MET B 30 9.665 -4.389 19.923 1.00 25.03 O ATOM 1181 CB MET B 30 7.156 -2.369 20.469 1.00 23.69 C ATOM 1182 CG MET B 30 6.450 -1.497 21.520 1.00 22.93 C ATOM 1183 SD MET B 30 6.796 -1.921 23.245 1.00 21.72 S ATOM 1184 CE MET B 30 5.800 -3.410 23.436 1.00 19.38 C ATOM 0 H MET B 30 8.546 -0.377 19.888 1.00 24.65 H new ATOM 0 HA MET B 30 8.974 -2.491 21.366 1.00 24.19 H new ATOM 0 HB2 MET B 30 6.827 -2.123 19.590 1.00 23.69 H new ATOM 0 HB3 MET B 30 6.907 -3.295 20.616 1.00 23.69 H new ATOM 0 HG2 MET B 30 6.704 -0.572 21.374 1.00 22.93 H new ATOM 0 HG3 MET B 30 5.493 -1.555 21.375 1.00 22.93 H new ATOM 0 HE1 MET B 30 6.113 -3.912 24.205 1.00 19.38 H new ATOM 0 HE2 MET B 30 4.871 -3.164 23.567 1.00 19.38 H new ATOM 0 HE3 MET B 30 5.879 -3.957 22.639 1.00 19.38 H new ATOM 1185 N LYS B 31 9.550 -2.862 18.242 1.00 23.91 N ATOM 1186 CA LYS B 31 10.286 -3.660 17.226 1.00 22.96 C ATOM 1187 C LYS B 31 11.787 -3.874 17.534 1.00 21.88 C ATOM 1188 O LYS B 31 12.304 -5.027 17.597 1.00 23.09 O ATOM 1189 CB LYS B 31 10.133 -3.061 15.814 1.00 23.55 C ATOM 1190 CG LYS B 31 10.644 -3.986 14.702 1.00 24.47 C ATOM 1191 CD LYS B 31 10.941 -3.246 13.409 1.00 26.64 C ATOM 1192 CE LYS B 31 11.674 -4.158 12.425 1.00 25.84 C ATOM 1193 NZ LYS B 31 11.868 -3.518 11.076 1.00 27.30 N ATOM 0 H LYS B 31 9.267 -2.106 17.945 1.00 23.91 H new ATOM 0 HA LYS B 31 9.868 -4.535 17.263 1.00 22.96 H new ATOM 0 HB2 LYS B 31 9.197 -2.861 15.654 1.00 23.55 H new ATOM 0 HB3 LYS B 31 10.614 -2.220 15.773 1.00 23.55 H new ATOM 0 HG2 LYS B 31 11.449 -4.435 15.005 1.00 24.47 H new ATOM 0 HG3 LYS B 31 9.983 -4.675 14.531 1.00 24.47 H new ATOM 0 HD2 LYS B 31 10.113 -2.932 13.012 1.00 26.64 H new ATOM 0 HD3 LYS B 31 11.481 -2.462 13.596 1.00 26.64 H new ATOM 0 HE2 LYS B 31 12.539 -4.397 12.793 1.00 25.84 H new ATOM 0 HE3 LYS B 31 11.174 -4.982 12.319 1.00 25.84 H new ATOM 0 HZ1 LYS B 31 12.297 -4.083 10.538 1.00 27.30 H new ATOM 0 HZ2 LYS B 31 11.075 -3.319 10.725 1.00 27.30 H new ATOM 0 HZ3 LYS B 31 12.347 -2.773 11.167 1.00 27.30 H new ATOM 1194 N SER B 32 12.466 -2.736 17.906 1.00 20.67 N ATOM 1195 CA SER B 32 13.926 -2.740 18.140 1.00 19.34 C ATOM 1196 C SER B 32 14.370 -3.359 19.471 1.00 17.65 C ATOM 1197 O SER B 32 15.553 -3.682 19.655 1.00 17.39 O ATOM 1198 CB SER B 32 14.514 -1.329 17.999 1.00 19.85 C ATOM 1199 OG SER B 32 13.941 -0.423 18.922 1.00 22.23 O ATOM 0 H SER B 32 12.091 -1.971 18.022 1.00 20.67 H new ATOM 0 HA SER B 32 14.279 -3.321 17.448 1.00 19.34 H new ATOM 0 HB2 SER B 32 15.474 -1.364 18.135 1.00 19.85 H new ATOM 0 HB3 SER B 32 14.367 -1.007 17.096 1.00 19.85 H new ATOM 0 HG SER B 32 14.284 0.337 18.819 1.00 22.23 H new ATOM 1200 N ARG B 33 13.427 -3.512 20.396 1.00 15.71 N ATOM 1201 CA ARG B 33 13.716 -4.120 21.692 1.00 13.98 C ATOM 1202 C ARG B 33 13.230 -5.568 21.744 1.00 13.71 C ATOM 1203 O ARG B 33 13.251 -6.194 22.804 1.00 12.99 O ATOM 1204 CB ARG B 33 13.106 -3.289 22.830 1.00 13.39 C ATOM 1205 CG ARG B 33 13.618 -1.847 22.914 1.00 12.76 C ATOM 1206 CD ARG B 33 15.152 -1.791 23.003 1.00 13.46 C ATOM 1207 NE ARG B 33 15.660 -0.427 23.152 1.00 12.10 N ATOM 1208 CZ ARG B 33 15.817 0.199 24.313 1.00 11.36 C ATOM 1209 NH1 ARG B 33 15.486 -0.398 25.456 1.00 9.11 N ATOM 1210 NH2 ARG B 33 16.290 1.444 24.333 1.00 12.32 N ATOM 0 H ARG B 33 12.609 -3.269 20.292 1.00 15.71 H new ATOM 0 HA ARG B 33 14.679 -4.131 21.810 1.00 13.98 H new ATOM 0 HB2 ARG B 33 12.142 -3.271 22.721 1.00 13.39 H new ATOM 0 HB3 ARG B 33 13.288 -3.734 23.673 1.00 13.39 H new ATOM 0 HG2 ARG B 33 13.321 -1.352 22.134 1.00 12.76 H new ATOM 0 HG3 ARG B 33 13.233 -1.411 23.690 1.00 12.76 H new ATOM 0 HD2 ARG B 33 15.448 -2.326 23.756 1.00 13.46 H new ATOM 0 HD3 ARG B 33 15.533 -2.189 22.205 1.00 13.46 H new ATOM 0 HE ARG B 33 15.872 0.000 22.436 1.00 12.10 H new ATOM 0 HH11 ARG B 33 15.167 -1.197 25.447 1.00 9.11 H new ATOM 0 HH12 ARG B 33 15.591 0.015 26.203 1.00 9.11 H new ATOM 0 HH21 ARG B 33 16.492 1.839 23.596 1.00 12.32 H new ATOM 0 HH22 ARG B 33 16.393 1.853 25.083 1.00 12.32 H new ATOM 1211 N ASN B 34 12.829 -6.096 20.584 1.00 13.42 N ATOM 1212 CA ASN B 34 12.396 -7.491 20.440 1.00 13.62 C ATOM 1213 C ASN B 34 11.096 -7.821 21.187 1.00 14.27 C ATOM 1214 O ASN B 34 10.914 -8.937 21.684 1.00 14.95 O ATOM 1215 CB ASN B 34 13.534 -8.468 20.803 1.00 13.30 C ATOM 1216 CG ASN B 34 14.673 -8.441 19.789 1.00 13.19 C ATOM 1217 OD1 ASN B 34 14.457 -8.155 18.614 1.00 16.16 O ATOM 1218 ND2 ASN B 34 15.884 -8.752 20.239 1.00 14.64 N ATOM 0 H ASN B 34 12.800 -5.649 19.850 1.00 13.42 H new ATOM 0 HA ASN B 34 12.183 -7.608 19.501 1.00 13.62 H new ATOM 0 HB2 ASN B 34 13.881 -8.244 21.681 1.00 13.30 H new ATOM 0 HB3 ASN B 34 13.177 -9.368 20.860 1.00 13.30 H new ATOM 0 HD21 ASN B 34 16.554 -8.758 19.700 1.00 14.64 H new ATOM 0 HD22 ASN B 34 15.997 -8.947 21.069 1.00 14.64 H new ATOM 1219 N LEU B 35 10.196 -6.842 21.244 1.00 14.81 N ATOM 1220 CA LEU B 35 8.930 -6.981 21.972 1.00 15.31 C ATOM 1221 C LEU B 35 7.724 -7.238 21.061 1.00 16.29 C ATOM 1222 O LEU B 35 6.578 -7.241 21.515 1.00 15.96 O ATOM 1223 CB LEU B 35 8.694 -5.759 22.873 1.00 15.48 C ATOM 1224 CG LEU B 35 9.828 -5.410 23.849 1.00 14.85 C ATOM 1225 CD1 LEU B 35 9.479 -4.177 24.674 1.00 15.91 C ATOM 1226 CD2 LEU B 35 10.158 -6.585 24.760 1.00 15.39 C ATOM 0 H LEU B 35 10.299 -6.078 20.863 1.00 14.81 H new ATOM 0 HA LEU B 35 9.015 -7.773 22.525 1.00 15.31 H new ATOM 0 HB2 LEU B 35 8.531 -4.989 22.306 1.00 15.48 H new ATOM 0 HB3 LEU B 35 7.885 -5.910 23.386 1.00 15.48 H new ATOM 0 HG LEU B 35 10.616 -5.211 23.320 1.00 14.85 H new ATOM 0 HD11 LEU B 35 10.208 -3.977 25.281 1.00 15.91 H new ATOM 0 HD12 LEU B 35 9.335 -3.422 24.083 1.00 15.91 H new ATOM 0 HD13 LEU B 35 8.671 -4.347 25.184 1.00 15.91 H new ATOM 0 HD21 LEU B 35 10.875 -6.335 25.363 1.00 15.39 H new ATOM 0 HD22 LEU B 35 9.372 -6.826 25.275 1.00 15.39 H new ATOM 0 HD23 LEU B 35 10.437 -7.343 24.223 1.00 15.39 H new ATOM 1227 N THR B 36 7.993 -7.456 19.777 1.00 17.37 N ATOM 1228 CA THR B 36 6.954 -7.843 18.816 1.00 18.16 C ATOM 1229 C THR B 36 7.384 -9.096 18.059 1.00 18.98 C ATOM 1230 O THR B 36 6.808 -9.434 17.024 1.00 18.81 O ATOM 1231 CB THR B 36 6.640 -6.712 17.811 1.00 18.08 C ATOM 1232 OG1 THR B 36 7.802 -6.424 17.020 1.00 17.05 O ATOM 1233 CG2 THR B 36 6.178 -5.456 18.536 1.00 18.86 C ATOM 0 H THR B 36 8.779 -7.385 19.436 1.00 17.37 H new ATOM 0 HA THR B 36 6.146 -8.022 19.321 1.00 18.16 H new ATOM 0 HB THR B 36 5.923 -7.009 17.229 1.00 18.08 H new ATOM 0 HG1 THR B 36 8.486 -6.719 17.409 1.00 17.05 H new ATOM 0 HG21 THR B 36 5.987 -4.760 17.888 1.00 18.86 H new ATOM 0 HG22 THR B 36 5.376 -5.653 19.045 1.00 18.86 H new ATOM 0 HG23 THR B 36 6.876 -5.154 19.137 1.00 18.86 H new ATOM 1234 N LYS B 37 8.382 -9.788 18.611 1.00 19.88 N ATOM 1235 CA LYS B 37 9.048 -10.920 17.958 1.00 20.93 C ATOM 1236 C LYS B 37 8.126 -12.117 17.705 1.00 21.17 C ATOM 1237 O LYS B 37 7.965 -12.547 16.560 1.00 21.60 O ATOM 1238 CB LYS B 37 10.284 -11.337 18.774 1.00 21.19 C ATOM 1239 CG LYS B 37 11.458 -11.856 17.952 1.00 22.54 C ATOM 1240 CD LYS B 37 11.415 -13.368 17.746 1.00 23.82 C ATOM 1241 CE LYS B 37 12.086 -14.114 18.895 1.00 24.89 C ATOM 1242 NZ LYS B 37 12.309 -15.549 18.552 1.00 25.74 N ATOM 0 H LYS B 37 8.698 -9.610 19.391 1.00 19.88 H new ATOM 0 HA LYS B 37 9.322 -10.616 17.079 1.00 20.93 H new ATOM 0 HB2 LYS B 37 10.583 -10.575 19.294 1.00 21.19 H new ATOM 0 HB3 LYS B 37 10.020 -12.025 19.405 1.00 21.19 H new ATOM 0 HG2 LYS B 37 11.461 -11.416 17.087 1.00 22.54 H new ATOM 0 HG3 LYS B 37 12.288 -11.618 18.395 1.00 22.54 H new ATOM 0 HD2 LYS B 37 10.493 -13.658 17.667 1.00 23.82 H new ATOM 0 HD3 LYS B 37 11.856 -13.594 16.912 1.00 23.82 H new ATOM 0 HE2 LYS B 37 12.935 -13.694 19.105 1.00 24.89 H new ATOM 0 HE3 LYS B 37 11.534 -14.051 19.690 1.00 24.89 H new ATOM 0 HZ1 LYS B 37 12.701 -15.961 19.237 1.00 25.74 H new ATOM 0 HZ2 LYS B 37 11.527 -15.938 18.380 1.00 25.74 H new ATOM 0 HZ3 LYS B 37 12.832 -15.605 17.834 1.00 25.74 H new ATOM 1243 N ASP B 38 7.516 -12.643 18.765 1.00 21.51 N ATOM 1244 CA ASP B 38 6.641 -13.815 18.654 1.00 21.53 C ATOM 1245 C ASP B 38 5.158 -13.467 18.806 1.00 21.06 C ATOM 1246 O ASP B 38 4.288 -14.122 18.228 1.00 21.31 O ATOM 1247 CB ASP B 38 7.055 -14.884 19.671 1.00 21.97 C ATOM 1248 CG ASP B 38 8.458 -15.421 19.416 1.00 22.88 C ATOM 1249 OD1 ASP B 38 8.831 -15.594 18.234 1.00 24.01 O ATOM 1250 OD2 ASP B 38 9.188 -15.673 20.399 1.00 24.82 O ATOM 0 H ASP B 38 7.595 -12.335 19.564 1.00 21.51 H new ATOM 0 HA ASP B 38 6.750 -14.167 17.757 1.00 21.53 H new ATOM 0 HB2 ASP B 38 7.013 -14.509 20.565 1.00 21.97 H new ATOM 0 HB3 ASP B 38 6.421 -15.617 19.641 1.00 21.97 H new ATOM 1251 N ARG B 39 4.887 -12.435 19.596 1.00 20.31 N ATOM 1252 CA ARG B 39 3.552 -11.865 19.739 1.00 19.65 C ATOM 1253 C ARG B 39 3.719 -10.388 20.061 1.00 18.33 C ATOM 1254 O ARG B 39 4.828 -9.945 20.341 1.00 18.03 O ATOM 1255 CB ARG B 39 2.742 -12.593 20.826 1.00 20.37 C ATOM 1256 CG ARG B 39 3.541 -13.110 22.023 1.00 22.51 C ATOM 1257 CD ARG B 39 3.723 -12.058 23.107 1.00 25.70 C ATOM 1258 NE ARG B 39 2.524 -11.905 23.933 1.00 29.11 N ATOM 1259 CZ ARG B 39 2.455 -11.181 25.051 1.00 29.28 C ATOM 1260 NH1 ARG B 39 3.519 -10.525 25.504 1.00 30.10 N ATOM 1261 NH2 ARG B 39 1.312 -11.119 25.722 1.00 28.79 N ATOM 0 H ARG B 39 5.484 -12.039 20.072 1.00 20.31 H new ATOM 0 HA ARG B 39 3.051 -11.973 18.915 1.00 19.65 H new ATOM 0 HB2 ARG B 39 2.057 -11.989 21.153 1.00 20.37 H new ATOM 0 HB3 ARG B 39 2.285 -13.344 20.416 1.00 20.37 H new ATOM 0 HG2 ARG B 39 3.090 -13.882 22.399 1.00 22.51 H new ATOM 0 HG3 ARG B 39 4.412 -13.411 21.720 1.00 22.51 H new ATOM 0 HD2 ARG B 39 4.474 -12.303 23.671 1.00 25.70 H new ATOM 0 HD3 ARG B 39 3.942 -11.207 22.696 1.00 25.70 H new ATOM 0 HE ARG B 39 1.811 -12.312 23.678 1.00 29.11 H new ATOM 0 HH11 ARG B 39 4.263 -10.564 25.075 1.00 30.10 H new ATOM 0 HH12 ARG B 39 3.463 -10.061 26.226 1.00 30.10 H new ATOM 0 HH21 ARG B 39 0.622 -11.544 25.435 1.00 28.79 H new ATOM 0 HH22 ARG B 39 1.262 -10.654 26.444 1.00 28.79 H new ATOM 1262 N CYS B 40 2.629 -9.626 20.004 1.00 16.75 N ATOM 1263 CA CYS B 40 2.672 -8.220 20.375 1.00 15.08 C ATOM 1264 C CYS B 40 2.618 -8.120 21.888 1.00 14.04 C ATOM 1265 O CYS B 40 1.612 -8.498 22.490 1.00 14.40 O ATOM 1266 CB CYS B 40 1.478 -7.462 19.786 1.00 14.72 C ATOM 1267 SG CYS B 40 1.194 -7.700 18.019 1.00 14.50 S ATOM 0 H CYS B 40 1.856 -9.907 19.753 1.00 16.75 H new ATOM 0 HA CYS B 40 3.489 -7.828 20.029 1.00 15.08 H new ATOM 0 HB2 CYS B 40 0.678 -7.730 20.264 1.00 14.72 H new ATOM 0 HB3 CYS B 40 1.604 -6.515 19.952 1.00 14.72 H new ATOM 1268 N LYS B 41 3.695 -7.638 22.507 1.00 12.44 N ATOM 1269 CA LYS B 41 3.624 -7.338 23.936 1.00 11.55 C ATOM 1270 C LYS B 41 2.600 -6.211 24.088 1.00 11.25 C ATOM 1271 O LYS B 41 2.771 -5.138 23.518 1.00 11.54 O ATOM 1272 CB LYS B 41 4.979 -6.923 24.511 1.00 11.24 C ATOM 1273 CG LYS B 41 4.892 -6.688 26.013 1.00 12.67 C ATOM 1274 CD LYS B 41 6.223 -6.441 26.682 1.00 14.64 C ATOM 1275 CE LYS B 41 6.010 -6.227 28.188 1.00 17.71 C ATOM 1276 NZ LYS B 41 7.172 -5.636 28.895 1.00 20.63 N ATOM 0 H LYS B 41 4.453 -7.482 22.132 1.00 12.44 H new ATOM 0 HA LYS B 41 3.362 -8.130 24.431 1.00 11.55 H new ATOM 0 HB2 LYS B 41 5.636 -7.612 24.327 1.00 11.24 H new ATOM 0 HB3 LYS B 41 5.285 -6.114 24.072 1.00 11.24 H new ATOM 0 HG2 LYS B 41 4.313 -5.927 26.178 1.00 12.67 H new ATOM 0 HG3 LYS B 41 4.472 -7.459 26.426 1.00 12.67 H new ATOM 0 HD2 LYS B 41 6.815 -7.195 26.534 1.00 14.64 H new ATOM 0 HD3 LYS B 41 6.652 -5.663 26.293 1.00 14.64 H new ATOM 0 HE2 LYS B 41 5.241 -5.650 28.316 1.00 17.71 H new ATOM 0 HE3 LYS B 41 5.796 -7.080 28.597 1.00 17.71 H new ATOM 0 HZ1 LYS B 41 7.024 -5.648 29.772 1.00 20.63 H new ATOM 0 HZ2 LYS B 41 7.903 -6.109 28.712 1.00 20.63 H new ATOM 0 HZ3 LYS B 41 7.288 -4.796 28.626 1.00 20.63 H new ATOM 1277 N PRO B 42 1.494 -6.471 24.809 1.00 10.64 N ATOM 1278 CA PRO B 42 0.407 -5.478 24.807 1.00 10.75 C ATOM 1279 C PRO B 42 0.715 -4.112 25.434 1.00 11.13 C ATOM 1280 O PRO B 42 0.312 -3.087 24.876 1.00 11.04 O ATOM 1281 CB PRO B 42 -0.735 -6.209 25.537 1.00 11.02 C ATOM 1282 CG PRO B 42 -0.364 -7.694 25.426 1.00 10.59 C ATOM 1283 CD PRO B 42 1.126 -7.684 25.557 1.00 10.62 C ATOM 0 HA PRO B 42 0.204 -5.212 23.897 1.00 10.75 H new ATOM 0 HB2 PRO B 42 -0.800 -5.928 26.463 1.00 11.02 H new ATOM 0 HB3 PRO B 42 -1.594 -6.026 25.124 1.00 11.02 H new ATOM 0 HG2 PRO B 42 -0.782 -8.221 26.125 1.00 10.59 H new ATOM 0 HG3 PRO B 42 -0.647 -8.072 24.579 1.00 10.59 H new ATOM 0 HD2 PRO B 42 1.408 -7.638 26.484 1.00 10.62 H new ATOM 0 HD3 PRO B 42 1.529 -8.480 25.177 1.00 10.62 H new ATOM 1284 N VAL B 43 1.404 -4.097 26.570 1.00 10.69 N ATOM 1285 CA VAL B 43 1.640 -2.861 27.322 1.00 11.64 C ATOM 1286 C VAL B 43 3.099 -2.819 27.750 1.00 12.17 C ATOM 1287 O VAL B 43 3.641 -3.812 28.244 1.00 12.38 O ATOM 1288 CB VAL B 43 0.723 -2.794 28.567 1.00 11.71 C ATOM 1289 CG1 VAL B 43 1.016 -1.559 29.404 1.00 13.92 C ATOM 1290 CG2 VAL B 43 -0.741 -2.814 28.159 1.00 11.85 C ATOM 0 H VAL B 43 1.748 -4.799 26.929 1.00 10.69 H new ATOM 0 HA VAL B 43 1.437 -2.099 26.757 1.00 11.64 H new ATOM 0 HB VAL B 43 0.908 -3.577 29.108 1.00 11.71 H new ATOM 0 HG11 VAL B 43 0.428 -1.544 30.175 1.00 13.92 H new ATOM 0 HG12 VAL B 43 1.939 -1.581 29.702 1.00 13.92 H new ATOM 0 HG13 VAL B 43 0.868 -0.763 28.870 1.00 13.92 H new ATOM 0 HG21 VAL B 43 -1.299 -2.771 28.952 1.00 11.85 H new ATOM 0 HG22 VAL B 43 -0.929 -2.051 27.590 1.00 11.85 H new ATOM 0 HG23 VAL B 43 -0.931 -3.632 27.674 1.00 11.85 H new ATOM 1291 N ASN B 44 3.744 -1.677 27.547 1.00 11.59 N ATOM 1292 CA ASN B 44 5.137 -1.540 27.943 1.00 12.37 C ATOM 1293 C ASN B 44 5.514 -0.091 28.124 1.00 12.87 C ATOM 1294 O ASN B 44 5.179 0.756 27.287 1.00 15.11 O ATOM 1295 CB ASN B 44 6.041 -2.172 26.888 1.00 12.05 C ATOM 1296 CG ASN B 44 7.476 -2.340 27.365 1.00 13.15 C ATOM 1297 OD1 ASN B 44 7.763 -3.189 28.196 1.00 15.93 O ATOM 1298 ND2 ASN B 44 8.388 -1.549 26.803 1.00 11.75 N ATOM 0 H ASN B 44 3.398 -0.978 27.186 1.00 11.59 H new ATOM 0 HA ASN B 44 5.253 -1.995 28.792 1.00 12.37 H new ATOM 0 HB2 ASN B 44 5.684 -3.039 26.639 1.00 12.05 H new ATOM 0 HB3 ASN B 44 6.032 -1.622 26.089 1.00 12.05 H new ATOM 0 HD21 ASN B 44 9.216 -1.625 27.022 1.00 11.75 H new ATOM 0 HD22 ASN B 44 8.149 -0.962 26.221 1.00 11.75 H new ATOM 1299 N THR B 45 6.245 0.183 29.193 1.00 12.94 N ATOM 1300 CA THR B 45 6.698 1.522 29.501 1.00 12.91 C ATOM 1301 C THR B 45 8.192 1.663 29.261 1.00 12.82 C ATOM 1302 O THR B 45 8.983 0.794 29.666 1.00 12.63 O ATOM 1303 CB THR B 45 6.368 1.885 30.959 1.00 12.59 C ATOM 1304 OG1 THR B 45 4.952 1.831 31.148 1.00 15.33 O ATOM 1305 CG2 THR B 45 6.894 3.283 31.333 1.00 14.11 C ATOM 0 H THR B 45 6.493 -0.411 29.764 1.00 12.94 H new ATOM 0 HA THR B 45 6.231 2.133 28.910 1.00 12.91 H new ATOM 0 HB THR B 45 6.808 1.243 31.539 1.00 12.59 H new ATOM 0 HG1 THR B 45 4.604 2.540 30.862 1.00 15.33 H new ATOM 0 HG21 THR B 45 6.668 3.478 32.256 1.00 14.11 H new ATOM 0 HG22 THR B 45 7.858 3.306 31.224 1.00 14.11 H new ATOM 0 HG23 THR B 45 6.488 3.947 30.755 1.00 14.11 H new ATOM 1306 N PHE B 46 8.572 2.766 28.617 1.00 12.36 N ATOM 1307 CA PHE B 46 9.976 3.135 28.472 1.00 12.78 C ATOM 1308 C PHE B 46 10.292 4.349 29.340 1.00 13.82 C ATOM 1309 O PHE B 46 9.505 5.291 29.407 1.00 13.80 O ATOM 1310 CB PHE B 46 10.322 3.428 27.003 1.00 12.81 C ATOM 1311 CG PHE B 46 10.317 2.208 26.126 1.00 13.81 C ATOM 1312 CD1 PHE B 46 11.382 1.315 26.146 1.00 14.55 C ATOM 1313 CD2 PHE B 46 9.227 1.927 25.306 1.00 13.71 C ATOM 1314 CE1 PHE B 46 11.374 0.172 25.347 1.00 14.15 C ATOM 1315 CE2 PHE B 46 9.216 0.789 24.495 1.00 11.98 C ATOM 1316 CZ PHE B 46 10.299 -0.086 24.510 1.00 13.89 C ATOM 0 H PHE B 46 8.023 3.319 28.253 1.00 12.36 H new ATOM 0 HA PHE B 46 10.518 2.386 28.765 1.00 12.78 H new ATOM 0 HB2 PHE B 46 9.687 4.072 26.652 1.00 12.81 H new ATOM 0 HB3 PHE B 46 11.198 3.842 26.962 1.00 12.81 H new ATOM 0 HD1 PHE B 46 12.110 1.482 26.700 1.00 14.55 H new ATOM 0 HD2 PHE B 46 8.497 2.504 25.298 1.00 13.71 H new ATOM 0 HE1 PHE B 46 12.092 -0.419 25.376 1.00 14.15 H new ATOM 0 HE2 PHE B 46 8.486 0.616 23.946 1.00 11.98 H new ATOM 0 HZ PHE B 46 10.301 -0.838 23.963 1.00 13.89 H new ATOM 1317 N VAL B 47 11.453 4.323 29.987 1.00 13.67 N ATOM 1318 CA VAL B 47 11.864 5.387 30.889 1.00 13.77 C ATOM 1319 C VAL B 47 12.995 6.195 30.251 1.00 14.21 C ATOM 1320 O VAL B 47 13.993 5.622 29.797 1.00 14.86 O ATOM 1321 CB VAL B 47 12.325 4.821 32.255 1.00 12.76 C ATOM 1322 CG1 VAL B 47 12.609 5.971 33.224 1.00 12.50 C ATOM 1323 CG2 VAL B 47 11.267 3.887 32.848 1.00 13.59 C ATOM 0 H VAL B 47 12.025 3.685 29.913 1.00 13.67 H new ATOM 0 HA VAL B 47 11.100 5.963 31.046 1.00 13.77 H new ATOM 0 HB VAL B 47 13.137 4.309 32.115 1.00 12.76 H new ATOM 0 HG11 VAL B 47 12.897 5.611 34.078 1.00 12.50 H new ATOM 0 HG12 VAL B 47 13.308 6.537 32.859 1.00 12.50 H new ATOM 0 HG13 VAL B 47 11.802 6.495 33.350 1.00 12.50 H new ATOM 0 HG21 VAL B 47 11.578 3.546 33.701 1.00 13.59 H new ATOM 0 HG22 VAL B 47 10.439 4.376 32.978 1.00 13.59 H new ATOM 0 HG23 VAL B 47 11.112 3.146 32.241 1.00 13.59 H new ATOM 1324 N HIS B 48 12.806 7.518 30.209 1.00 14.67 N ATOM 1325 CA HIS B 48 13.741 8.456 29.581 1.00 15.90 C ATOM 1326 C HIS B 48 14.441 9.279 30.638 1.00 16.22 C ATOM 1327 O HIS B 48 14.338 10.516 30.674 1.00 17.11 O ATOM 1328 CB HIS B 48 13.010 9.383 28.630 1.00 16.20 C ATOM 1329 CG HIS B 48 12.101 8.673 27.689 1.00 17.11 C ATOM 1330 ND1 HIS B 48 12.527 7.630 26.891 1.00 18.46 N ATOM 1331 CD2 HIS B 48 10.786 8.843 27.425 1.00 18.21 C ATOM 1332 CE1 HIS B 48 11.511 7.201 26.162 1.00 19.45 C ATOM 1333 NE2 HIS B 48 10.446 7.924 26.463 1.00 19.01 N ATOM 0 H HIS B 48 12.117 7.902 30.552 1.00 14.67 H new ATOM 0 HA HIS B 48 14.395 7.942 29.083 1.00 15.90 H new ATOM 0 HB2 HIS B 48 12.494 10.023 29.146 1.00 16.20 H new ATOM 0 HB3 HIS B 48 13.661 9.889 28.119 1.00 16.20 H new ATOM 0 HD1 HIS B 48 13.325 7.311 26.871 1.00 18.46 H new ATOM 0 HD2 HIS B 48 10.219 9.465 27.820 1.00 18.21 H new ATOM 0 HE1 HIS B 48 11.541 6.508 25.542 1.00 19.45 H new ATOM 1334 N GLU B 49 15.087 8.562 31.537 1.00 14.96 N ATOM 1335 CA GLU B 49 16.025 9.137 32.471 1.00 13.97 C ATOM 1336 C GLU B 49 17.291 8.325 32.355 1.00 13.62 C ATOM 1337 O GLU B 49 17.288 7.243 31.755 1.00 14.32 O ATOM 1338 CB GLU B 49 15.478 9.082 33.901 1.00 13.66 C ATOM 1339 CG GLU B 49 14.154 9.815 34.120 1.00 13.63 C ATOM 1340 CD GLU B 49 14.217 11.320 33.845 1.00 13.80 C ATOM 1341 OE1 GLU B 49 15.312 11.933 33.919 1.00 14.43 O ATOM 1342 OE2 GLU B 49 13.155 11.908 33.541 1.00 15.17 O ATOM 0 H GLU B 49 14.990 7.712 31.622 1.00 14.96 H new ATOM 0 HA GLU B 49 16.186 10.072 32.270 1.00 13.97 H new ATOM 0 HB2 GLU B 49 15.362 8.152 34.152 1.00 13.66 H new ATOM 0 HB3 GLU B 49 16.142 9.457 34.501 1.00 13.66 H new ATOM 0 HG2 GLU B 49 13.478 9.420 33.547 1.00 13.63 H new ATOM 0 HG3 GLU B 49 13.866 9.675 35.036 1.00 13.63 H new ATOM 1343 N SER B 50 18.378 8.834 32.920 1.00 12.50 N ATOM 1344 CA SER B 50 19.634 8.094 32.900 1.00 11.81 C ATOM 1345 C SER B 50 19.456 6.769 33.636 1.00 10.68 C ATOM 1346 O SER B 50 18.619 6.638 34.559 1.00 11.28 O ATOM 1347 CB SER B 50 20.762 8.893 33.556 1.00 12.03 C ATOM 1348 OG SER B 50 20.479 9.068 34.937 1.00 12.16 O ATOM 0 H SER B 50 18.411 9.597 33.316 1.00 12.50 H new ATOM 0 HA SER B 50 19.875 7.932 31.974 1.00 11.81 H new ATOM 0 HB2 SER B 50 21.607 8.429 33.446 1.00 12.03 H new ATOM 0 HB3 SER B 50 20.854 9.756 33.123 1.00 12.03 H new ATOM 0 HG SER B 50 21.102 9.500 35.298 1.00 12.16 H new ATOM 1349 N LEU B 51 20.237 5.776 33.221 1.00 9.67 N ATOM 1350 CA LEU B 51 20.315 4.524 33.951 1.00 8.91 C ATOM 1351 C LEU B 51 20.656 4.747 35.423 1.00 9.00 C ATOM 1352 O LEU B 51 20.069 4.120 36.291 1.00 9.14 O ATOM 1353 CB LEU B 51 21.309 3.560 33.292 1.00 8.96 C ATOM 1354 CG LEU B 51 21.365 2.171 33.931 1.00 9.21 C ATOM 1355 CD1 LEU B 51 20.024 1.466 33.852 1.00 8.93 C ATOM 1356 CD2 LEU B 51 22.435 1.325 33.258 1.00 9.08 C ATOM 0 H LEU B 51 20.729 5.811 32.517 1.00 9.67 H new ATOM 0 HA LEU B 51 19.436 4.115 33.918 1.00 8.91 H new ATOM 0 HB2 LEU B 51 21.076 3.463 32.355 1.00 8.96 H new ATOM 0 HB3 LEU B 51 22.195 3.954 33.325 1.00 8.96 H new ATOM 0 HG LEU B 51 21.588 2.287 34.868 1.00 9.21 H new ATOM 0 HD11 LEU B 51 20.093 0.591 34.265 1.00 8.93 H new ATOM 0 HD12 LEU B 51 19.354 1.991 34.318 1.00 8.93 H new ATOM 0 HD13 LEU B 51 19.766 1.365 32.923 1.00 8.93 H new ATOM 0 HD21 LEU B 51 22.461 0.448 33.671 1.00 9.08 H new ATOM 0 HD22 LEU B 51 22.228 1.232 32.315 1.00 9.08 H new ATOM 0 HD23 LEU B 51 23.299 1.755 33.358 1.00 9.08 H new ATOM 1357 N ALA B 52 21.588 5.649 35.715 1.00 8.75 N ATOM 1358 CA ALA B 52 21.938 5.929 37.105 1.00 8.66 C ATOM 1359 C ALA B 52 20.741 6.410 37.910 1.00 8.08 C ATOM 1360 O ALA B 52 20.549 5.996 39.051 1.00 8.99 O ATOM 1361 CB ALA B 52 23.077 6.944 37.181 1.00 9.08 C ATOM 0 H ALA B 52 22.025 6.105 35.132 1.00 8.75 H new ATOM 0 HA ALA B 52 22.236 5.094 37.499 1.00 8.66 H new ATOM 0 HB1 ALA B 52 23.295 7.117 38.110 1.00 9.08 H new ATOM 0 HB2 ALA B 52 23.857 6.590 36.727 1.00 9.08 H new ATOM 0 HB3 ALA B 52 22.803 7.771 36.754 1.00 9.08 H new ATOM 1362 N ASP B 53 19.932 7.289 37.325 1.00 8.18 N ATOM 1363 CA ASP B 53 18.768 7.801 38.045 1.00 8.37 C ATOM 1364 C ASP B 53 17.724 6.695 38.306 1.00 8.21 C ATOM 1365 O ASP B 53 17.078 6.669 39.355 1.00 9.19 O ATOM 1366 CB ASP B 53 18.107 8.969 37.305 1.00 8.92 C ATOM 1367 CG ASP B 53 18.841 10.297 37.479 1.00 10.65 C ATOM 1368 OD1 ASP B 53 19.909 10.357 38.137 1.00 10.76 O ATOM 1369 OD2 ASP B 53 18.329 11.288 36.933 1.00 11.62 O ATOM 0 H ASP B 53 20.035 7.597 36.529 1.00 8.18 H new ATOM 0 HA ASP B 53 19.097 8.124 38.898 1.00 8.37 H new ATOM 0 HB2 ASP B 53 18.058 8.757 36.360 1.00 8.92 H new ATOM 0 HB3 ASP B 53 17.195 9.068 37.621 1.00 8.92 H new ATOM 1370 N VAL B 54 17.548 5.807 37.335 1.00 7.58 N ATOM 1371 CA VAL B 54 16.580 4.711 37.486 1.00 7.19 C ATOM 1372 C VAL B 54 17.102 3.713 38.514 1.00 7.39 C ATOM 1373 O VAL B 54 16.351 3.272 39.392 1.00 7.48 O ATOM 1374 CB VAL B 54 16.245 4.075 36.127 1.00 7.18 C ATOM 1375 CG1 VAL B 54 15.349 2.861 36.303 1.00 7.85 C ATOM 1376 CG2 VAL B 54 15.554 5.120 35.243 1.00 7.05 C ATOM 0 H VAL B 54 17.971 5.815 36.586 1.00 7.58 H new ATOM 0 HA VAL B 54 15.739 5.058 37.822 1.00 7.19 H new ATOM 0 HB VAL B 54 17.066 3.779 35.704 1.00 7.18 H new ATOM 0 HG11 VAL B 54 15.151 2.476 35.435 1.00 7.85 H new ATOM 0 HG12 VAL B 54 15.801 2.202 36.853 1.00 7.85 H new ATOM 0 HG13 VAL B 54 14.522 3.129 36.734 1.00 7.85 H new ATOM 0 HG21 VAL B 54 15.339 4.726 34.383 1.00 7.05 H new ATOM 0 HG22 VAL B 54 14.738 5.420 35.673 1.00 7.05 H new ATOM 0 HG23 VAL B 54 16.147 5.877 35.112 1.00 7.05 H new ATOM 1377 N GLN B 55 18.392 3.389 38.433 1.00 7.30 N ATOM 1378 CA GLN B 55 18.988 2.483 39.409 1.00 7.72 C ATOM 1379 C GLN B 55 18.881 3.041 40.831 1.00 7.74 C ATOM 1380 O GLN B 55 18.712 2.289 41.793 1.00 8.19 O ATOM 1381 CB GLN B 55 20.449 2.158 39.052 1.00 7.88 C ATOM 1382 CG GLN B 55 20.553 1.278 37.813 1.00 8.46 C ATOM 1383 CD GLN B 55 21.969 1.093 37.322 1.00 9.71 C ATOM 1384 OE1 GLN B 55 22.283 0.082 36.690 1.00 11.94 O ATOM 1385 NE2 GLN B 55 22.827 2.071 37.585 1.00 10.65 N ATOM 0 H GLN B 55 18.931 3.679 37.829 1.00 7.30 H new ATOM 0 HA GLN B 55 18.484 1.655 39.379 1.00 7.72 H new ATOM 0 HB2 GLN B 55 20.936 2.984 38.903 1.00 7.88 H new ATOM 0 HB3 GLN B 55 20.872 1.711 39.802 1.00 7.88 H new ATOM 0 HG2 GLN B 55 20.170 0.409 38.010 1.00 8.46 H new ATOM 0 HG3 GLN B 55 20.020 1.668 37.102 1.00 8.46 H new ATOM 0 HE21 GLN B 55 22.570 2.761 38.029 1.00 10.65 H new ATOM 0 HE22 GLN B 55 23.640 2.015 37.311 1.00 10.65 H new ATOM 1386 N ALA B 56 18.987 4.365 40.949 1.00 8.12 N ATOM 1387 CA ALA B 56 18.888 5.025 42.247 1.00 7.80 C ATOM 1388 C ALA B 56 17.520 4.826 42.910 1.00 7.33 C ATOM 1389 O ALA B 56 17.383 4.948 44.122 1.00 8.30 O ATOM 1390 CB ALA B 56 19.232 6.511 42.128 1.00 6.79 C ATOM 0 H ALA B 56 19.117 4.898 40.287 1.00 8.12 H new ATOM 0 HA ALA B 56 19.540 4.602 42.828 1.00 7.80 H new ATOM 0 HB1 ALA B 56 19.160 6.931 43.000 1.00 6.79 H new ATOM 0 HB2 ALA B 56 20.138 6.608 41.796 1.00 6.79 H new ATOM 0 HB3 ALA B 56 18.616 6.938 41.513 1.00 6.79 H new ATOM 1391 N VAL B 57 16.512 4.497 42.107 1.00 7.53 N ATOM 1392 CA VAL B 57 15.190 4.269 42.669 1.00 7.17 C ATOM 1393 C VAL B 57 15.223 3.144 43.716 1.00 6.59 C ATOM 1394 O VAL B 57 14.442 3.173 44.673 1.00 6.41 O ATOM 1395 CB VAL B 57 14.146 4.021 41.556 1.00 6.75 C ATOM 1396 CG1 VAL B 57 12.793 3.711 42.139 1.00 7.47 C ATOM 1397 CG2 VAL B 57 14.040 5.270 40.677 1.00 8.44 C ATOM 0 H VAL B 57 16.571 4.403 41.254 1.00 7.53 H new ATOM 0 HA VAL B 57 14.911 5.073 43.134 1.00 7.17 H new ATOM 0 HB VAL B 57 14.435 3.260 41.029 1.00 6.75 H new ATOM 0 HG11 VAL B 57 12.158 3.560 41.421 1.00 7.47 H new ATOM 0 HG12 VAL B 57 12.853 2.915 42.690 1.00 7.47 H new ATOM 0 HG13 VAL B 57 12.495 4.458 42.682 1.00 7.47 H new ATOM 0 HG21 VAL B 57 13.386 5.119 39.977 1.00 8.44 H new ATOM 0 HG22 VAL B 57 13.764 6.025 41.219 1.00 8.44 H new ATOM 0 HG23 VAL B 57 14.903 5.459 40.277 1.00 8.44 H new ATOM 1398 N CYS B 58 16.162 2.199 43.566 1.00 6.41 N ATOM 1399 CA CYS B 58 16.284 1.089 44.514 1.00 6.94 C ATOM 1400 C CYS B 58 16.672 1.505 45.926 1.00 7.30 C ATOM 1401 O CYS B 58 16.687 0.668 46.835 1.00 8.83 O ATOM 1402 CB CYS B 58 17.258 0.049 43.974 1.00 7.56 C ATOM 1403 SG CYS B 58 16.716 -0.700 42.428 1.00 8.23 S ATOM 0 H CYS B 58 16.734 2.185 42.924 1.00 6.41 H new ATOM 0 HA CYS B 58 15.396 0.707 44.595 1.00 6.94 H new ATOM 0 HB2 CYS B 58 18.124 0.465 43.838 1.00 7.56 H new ATOM 0 HB3 CYS B 58 17.379 -0.647 44.638 1.00 7.56 H new ATOM 1404 N SER B 59 16.983 2.801 46.086 1.00 7.09 N ATOM 1405 CA SER B 59 17.366 3.390 47.371 1.00 7.47 C ATOM 1406 C SER B 59 16.326 4.409 47.820 1.00 7.00 C ATOM 1407 O SER B 59 16.570 5.190 48.738 1.00 7.10 O ATOM 1408 CB ASER B 59 18.752 4.039 47.280 0.50 7.49 C ATOM 1409 CB BSER B 59 18.727 4.079 47.254 0.50 7.56 C ATOM 1410 OG ASER B 59 18.750 5.162 46.417 0.50 9.19 O ATOM 1411 OG BSER B 59 19.752 3.148 46.968 0.50 10.10 O ATOM 0 H SER B 59 16.976 3.367 45.438 1.00 7.09 H new ATOM 0 HA SER B 59 17.407 2.681 48.031 1.00 7.47 H new ATOM 0 HB2ASER B 59 19.041 4.311 48.165 0.50 7.56 H new ATOM 0 HB2BSER B 59 18.693 4.750 46.555 0.50 7.56 H new ATOM 0 HB3ASER B 59 19.395 3.386 46.961 0.50 7.56 H new ATOM 0 HB3BSER B 59 18.930 4.542 48.082 0.50 7.56 H new ATOM 0 HG ASER B 59 18.308 4.984 45.726 0.50 10.10 H new ATOM 0 HG BSER B 59 19.789 3.018 46.139 0.50 10.10 H new ATOM 1412 N GLN B 60 15.164 4.387 47.174 1.00 6.71 N ATOM 1413 CA GLN B 60 14.136 5.383 47.474 1.00 6.82 C ATOM 1414 C GLN B 60 12.955 4.801 48.269 1.00 6.48 C ATOM 1415 O GLN B 60 13.191 4.187 49.316 1.00 7.74 O ATOM 1416 CB GLN B 60 13.780 6.164 46.209 1.00 6.22 C ATOM 1417 CG GLN B 60 15.028 6.913 45.705 1.00 6.18 C ATOM 1418 CD GLN B 60 14.883 7.577 44.357 1.00 6.64 C ATOM 1419 OE1 GLN B 60 13.780 7.823 43.891 1.00 6.82 O ATOM 1420 NE2 GLN B 60 16.023 7.873 43.717 1.00 6.50 N ATOM 0 H GLN B 60 14.952 3.815 46.568 1.00 6.71 H new ATOM 0 HA GLN B 60 14.493 6.040 48.092 1.00 6.82 H new ATOM 0 HB2 GLN B 60 13.454 5.559 45.524 1.00 6.22 H new ATOM 0 HB3 GLN B 60 13.066 6.793 46.395 1.00 6.22 H new ATOM 0 HG2 GLN B 60 15.266 7.589 46.358 1.00 6.18 H new ATOM 0 HG3 GLN B 60 15.767 6.287 45.662 1.00 6.18 H new ATOM 0 HE21 GLN B 60 16.780 7.684 44.078 1.00 6.50 H new ATOM 0 HE22 GLN B 60 15.997 8.252 42.945 1.00 6.50 H new ATOM 1421 N LYS B 61 11.711 5.020 47.849 1.00 7.48 N ATOM 1422 CA LYS B 61 10.577 4.657 48.716 1.00 7.43 C ATOM 1423 C LYS B 61 10.199 3.185 48.578 1.00 6.90 C ATOM 1424 O LYS B 61 9.675 2.774 47.551 1.00 7.34 O ATOM 1425 CB LYS B 61 9.354 5.535 48.422 1.00 7.39 C ATOM 1426 CG LYS B 61 8.209 5.288 49.393 1.00 9.25 C ATOM 1427 CD LYS B 61 7.036 6.218 49.171 1.00 15.50 C ATOM 1428 CE LYS B 61 6.057 6.066 50.314 1.00 19.25 C ATOM 1429 NZ LYS B 61 4.988 7.093 50.251 1.00 21.19 N ATOM 0 H LYS B 61 11.500 5.366 47.091 1.00 7.48 H new ATOM 0 HA LYS B 61 10.866 4.810 49.629 1.00 7.43 H new ATOM 0 HB2 LYS B 61 9.613 6.469 48.464 1.00 7.39 H new ATOM 0 HB3 LYS B 61 9.048 5.365 47.517 1.00 7.39 H new ATOM 0 HG2 LYS B 61 7.909 4.370 49.305 1.00 9.25 H new ATOM 0 HG3 LYS B 61 8.533 5.395 50.301 1.00 9.25 H new ATOM 0 HD2 LYS B 61 7.344 7.136 49.114 1.00 15.50 H new ATOM 0 HD3 LYS B 61 6.601 6.012 48.329 1.00 15.50 H new ATOM 0 HE2 LYS B 61 5.660 5.181 50.287 1.00 19.25 H new ATOM 0 HE3 LYS B 61 6.529 6.139 51.158 1.00 19.25 H new ATOM 0 HZ1 LYS B 61 4.608 7.176 51.052 1.00 21.19 H new ATOM 0 HZ2 LYS B 61 5.340 7.873 50.007 1.00 21.19 H new ATOM 0 HZ3 LYS B 61 4.374 6.846 49.656 1.00 21.19 H new ATOM 1430 N ASN B 62 10.457 2.397 49.614 1.00 7.10 N ATOM 1431 CA ASN B 62 10.076 0.986 49.615 1.00 7.08 C ATOM 1432 C ASN B 62 8.564 0.866 49.702 1.00 7.67 C ATOM 1433 O ASN B 62 7.928 1.491 50.566 1.00 8.03 O ATOM 1434 CB ASN B 62 10.754 0.275 50.795 1.00 6.92 C ATOM 1435 CG ASN B 62 10.515 -1.240 50.830 1.00 7.34 C ATOM 1436 OD1 ASN B 62 10.343 -1.800 51.906 1.00 9.68 O ATOM 1437 ND2 ASN B 62 10.562 -1.900 49.688 1.00 8.48 N ATOM 0 H ASN B 62 10.854 2.659 50.331 1.00 7.10 H new ATOM 0 HA ASN B 62 10.368 0.564 48.792 1.00 7.08 H new ATOM 0 HB2 ASN B 62 11.709 0.442 50.756 1.00 6.92 H new ATOM 0 HB3 ASN B 62 10.432 0.663 51.623 1.00 6.92 H new ATOM 0 HD21 ASN B 62 10.470 -2.755 49.681 1.00 8.48 H new ATOM 0 HD22 ASN B 62 10.684 -1.475 48.950 1.00 8.48 H new ATOM 1438 N VAL B 63 8.006 0.091 48.765 1.00 6.84 N ATOM 1439 CA VAL B 63 6.561 -0.194 48.670 1.00 7.91 C ATOM 1440 C VAL B 63 6.365 -1.668 48.280 1.00 7.59 C ATOM 1441 O VAL B 63 7.278 -2.312 47.738 1.00 8.41 O ATOM 1442 CB VAL B 63 5.868 0.712 47.614 1.00 7.80 C ATOM 1443 CG1 VAL B 63 6.047 2.194 47.981 1.00 9.88 C ATOM 1444 CG2 VAL B 63 6.401 0.432 46.226 1.00 8.70 C ATOM 0 H VAL B 63 8.467 -0.295 48.150 1.00 6.84 H new ATOM 0 HA VAL B 63 6.158 -0.012 49.533 1.00 7.91 H new ATOM 0 HB VAL B 63 4.920 0.509 47.613 1.00 7.80 H new ATOM 0 HG11 VAL B 63 5.610 2.748 47.315 1.00 9.88 H new ATOM 0 HG12 VAL B 63 5.651 2.362 48.850 1.00 9.88 H new ATOM 0 HG13 VAL B 63 6.993 2.409 48.010 1.00 9.88 H new ATOM 0 HG21 VAL B 63 5.955 1.008 45.586 1.00 8.70 H new ATOM 0 HG22 VAL B 63 7.355 0.604 46.205 1.00 8.70 H new ATOM 0 HG23 VAL B 63 6.235 -0.496 45.996 1.00 8.70 H new ATOM 1445 N ALA B 64 5.179 -2.210 48.549 1.00 8.64 N ATOM 1446 CA ALA B 64 4.895 -3.557 48.062 1.00 8.10 C ATOM 1447 C ALA B 64 4.731 -3.568 46.546 1.00 8.17 C ATOM 1448 O ALA B 64 4.313 -2.568 45.952 1.00 8.26 O ATOM 1449 CB ALA B 64 3.651 -4.121 48.718 1.00 8.54 C ATOM 0 H ALA B 64 4.548 -1.832 48.994 1.00 8.64 H new ATOM 0 HA ALA B 64 5.652 -4.117 48.297 1.00 8.10 H new ATOM 0 HB1 ALA B 64 3.483 -5.014 48.379 1.00 8.54 H new ATOM 0 HB2 ALA B 64 3.780 -4.159 49.679 1.00 8.54 H new ATOM 0 HB3 ALA B 64 2.892 -3.551 48.517 1.00 8.54 H new ATOM 1450 N CYS B 65 5.119 -4.686 45.925 1.00 8.23 N ATOM 1451 CA CYS B 65 4.896 -4.937 44.504 1.00 7.94 C ATOM 1452 C CYS B 65 3.493 -5.490 44.302 1.00 7.81 C ATOM 1453 O CYS B 65 2.895 -6.029 45.234 1.00 7.08 O ATOM 1454 CB CYS B 65 5.877 -5.993 43.983 1.00 8.13 C ATOM 1455 SG CYS B 65 7.603 -5.680 44.304 1.00 9.66 S ATOM 0 H CYS B 65 5.526 -5.328 46.327 1.00 8.23 H new ATOM 0 HA CYS B 65 5.019 -4.100 44.029 1.00 7.94 H new ATOM 0 HB2 CYS B 65 5.643 -6.848 44.376 1.00 8.13 H new ATOM 0 HB3 CYS B 65 5.755 -6.078 43.025 1.00 8.13 H new ATOM 1456 N LYS B 66 2.985 -5.393 43.075 1.00 7.31 N ATOM 1457 CA LYS B 66 1.673 -5.948 42.725 1.00 8.57 C ATOM 1458 C LYS B 66 1.546 -7.409 43.125 1.00 8.45 C ATOM 1459 O LYS B 66 0.477 -7.856 43.553 1.00 8.47 O ATOM 1460 CB LYS B 66 1.415 -5.813 41.224 1.00 8.81 C ATOM 1461 CG LYS B 66 0.907 -4.463 40.832 1.00 13.38 C ATOM 1462 CD LYS B 66 0.494 -4.418 39.369 1.00 16.59 C ATOM 1463 CE LYS B 66 0.269 -2.982 38.956 1.00 19.30 C ATOM 1464 NZ LYS B 66 1.209 -2.142 39.736 1.00 19.05 N ATOM 0 H LYS B 66 3.388 -5.005 42.422 1.00 7.31 H new ATOM 0 HA LYS B 66 1.012 -5.439 43.219 1.00 8.57 H new ATOM 0 HB2 LYS B 66 2.237 -5.995 40.743 1.00 8.81 H new ATOM 0 HB3 LYS B 66 0.772 -6.486 40.951 1.00 8.81 H new ATOM 0 HG2 LYS B 66 0.149 -4.228 41.390 1.00 13.38 H new ATOM 0 HG3 LYS B 66 1.595 -3.799 40.995 1.00 13.38 H new ATOM 0 HD2 LYS B 66 1.182 -4.820 38.816 1.00 16.59 H new ATOM 0 HD3 LYS B 66 -0.316 -4.934 39.235 1.00 16.59 H new ATOM 0 HE2 LYS B 66 0.423 -2.873 38.005 1.00 19.30 H new ATOM 0 HE3 LYS B 66 -0.648 -2.717 39.128 1.00 19.30 H new ATOM 0 HZ1 LYS B 66 1.193 -1.309 39.423 1.00 19.05 H new ATOM 0 HZ2 LYS B 66 0.967 -2.142 40.592 1.00 19.05 H new ATOM 0 HZ3 LYS B 66 2.033 -2.470 39.661 1.00 19.05 H new ATOM 1465 N ASN B 67 2.648 -8.141 42.991 1.00 8.45 N ATOM 1466 CA ASN B 67 2.644 -9.582 43.254 1.00 8.83 C ATOM 1467 C ASN B 67 2.767 -9.926 44.741 1.00 9.05 C ATOM 1468 O ASN B 67 2.829 -11.103 45.102 1.00 9.76 O ATOM 1469 CB ASN B 67 3.747 -10.274 42.449 1.00 9.44 C ATOM 1470 CG ASN B 67 5.132 -9.934 42.948 1.00 9.86 C ATOM 1471 OD1 ASN B 67 5.302 -9.203 43.932 1.00 9.62 O ATOM 1472 ND2 ASN B 67 6.149 -10.456 42.258 1.00 12.76 N ATOM 0 H ASN B 67 3.410 -7.825 42.749 1.00 8.45 H new ATOM 0 HA ASN B 67 1.778 -9.913 42.968 1.00 8.83 H new ATOM 0 HB2 ASN B 67 3.619 -11.235 42.491 1.00 9.44 H new ATOM 0 HB3 ASN B 67 3.671 -10.018 41.516 1.00 9.44 H new ATOM 0 HD21 ASN B 67 6.959 -10.288 42.493 1.00 12.76 H new ATOM 0 HD22 ASN B 67 5.994 -10.960 41.579 1.00 12.76 H new ATOM 1473 N GLY B 68 2.835 -8.910 45.595 1.00 8.94 N ATOM 1474 CA GLY B 68 2.858 -9.134 47.039 1.00 9.19 C ATOM 1475 C GLY B 68 4.250 -9.213 47.635 1.00 9.79 C ATOM 1476 O GLY B 68 4.411 -9.193 48.860 1.00 10.74 O ATOM 0 H GLY B 68 2.869 -8.083 45.360 1.00 8.94 H new ATOM 0 HA2 GLY B 68 2.371 -8.417 47.475 1.00 9.19 H new ATOM 0 HA3 GLY B 68 2.386 -9.958 47.236 1.00 9.19 H new ATOM 1477 N GLN B 69 5.259 -9.330 46.777 1.00 9.67 N ATOM 1478 CA GLN B 69 6.637 -9.172 47.226 1.00 9.95 C ATOM 1479 C GLN B 69 6.851 -7.748 47.727 1.00 9.61 C ATOM 1480 O GLN B 69 6.098 -6.843 47.354 1.00 10.00 O ATOM 1481 CB GLN B 69 7.623 -9.508 46.105 1.00 10.40 C ATOM 1482 CG GLN B 69 7.731 -10.993 45.824 1.00 12.31 C ATOM 1483 CD GLN B 69 8.094 -11.800 47.068 1.00 16.09 C ATOM 1484 OE1 GLN B 69 9.073 -11.503 47.753 1.00 18.97 O ATOM 1485 NE2 GLN B 69 7.304 -12.811 47.364 1.00 18.00 N ATOM 0 H GLN B 69 5.168 -9.499 45.939 1.00 9.67 H new ATOM 0 HA GLN B 69 6.801 -9.792 47.954 1.00 9.95 H new ATOM 0 HB2 GLN B 69 7.349 -9.051 45.294 1.00 10.40 H new ATOM 0 HB3 GLN B 69 8.499 -9.166 46.341 1.00 10.40 H new ATOM 0 HG2 GLN B 69 6.887 -11.314 45.469 1.00 12.31 H new ATOM 0 HG3 GLN B 69 8.402 -11.141 45.139 1.00 12.31 H new ATOM 0 HE21 GLN B 69 6.628 -12.990 46.863 1.00 18.00 H new ATOM 0 HE22 GLN B 69 7.464 -13.292 48.059 1.00 18.00 H new ATOM 1486 N THR B 70 7.856 -7.541 48.573 1.00 9.67 N ATOM 1487 CA THR B 70 8.065 -6.214 49.161 1.00 10.18 C ATOM 1488 C THR B 70 9.404 -5.590 48.779 1.00 9.86 C ATOM 1489 O THR B 70 9.915 -4.721 49.485 1.00 9.67 O ATOM 1490 CB THR B 70 7.954 -6.228 50.701 1.00 10.81 C ATOM 1491 OG1 THR B 70 8.976 -7.077 51.235 1.00 12.95 O ATOM 1492 CG2 THR B 70 6.578 -6.715 51.154 1.00 12.29 C ATOM 0 H THR B 70 8.421 -8.141 48.818 1.00 9.67 H new ATOM 0 HA THR B 70 7.352 -5.671 48.789 1.00 10.18 H new ATOM 0 HB THR B 70 8.069 -5.323 51.030 1.00 10.81 H new ATOM 0 HG1 THR B 70 9.673 -6.627 51.368 1.00 12.95 H new ATOM 0 HG21 THR B 70 6.537 -6.714 52.123 1.00 12.29 H new ATOM 0 HG22 THR B 70 5.893 -6.125 50.801 1.00 12.29 H new ATOM 0 HG23 THR B 70 6.429 -7.616 50.826 1.00 12.29 H new ATOM 1493 N ASN B 71 9.961 -6.026 47.652 1.00 8.28 N ATOM 1494 CA ASN B 71 11.204 -5.449 47.140 1.00 7.00 C ATOM 1495 C ASN B 71 10.965 -4.419 46.039 1.00 6.89 C ATOM 1496 O ASN B 71 11.799 -4.268 45.140 1.00 6.98 O ATOM 1497 CB ASN B 71 12.141 -6.543 46.620 1.00 6.99 C ATOM 1498 CG ASN B 71 11.565 -7.310 45.437 1.00 6.24 C ATOM 1499 OD1 ASN B 71 10.377 -7.662 45.423 1.00 8.47 O ATOM 1500 ND2 ASN B 71 12.408 -7.613 44.452 1.00 5.09 N ATOM 0 H ASN B 71 9.635 -6.657 47.167 1.00 8.28 H new ATOM 0 HA ASN B 71 11.619 -4.992 47.888 1.00 7.00 H new ATOM 0 HB2 ASN B 71 12.984 -6.142 46.359 1.00 6.99 H new ATOM 0 HB3 ASN B 71 12.334 -7.165 47.339 1.00 6.99 H new ATOM 0 HD21 ASN B 71 12.134 -8.068 43.776 1.00 5.09 H new ATOM 0 HD22 ASN B 71 13.227 -7.354 44.492 1.00 5.09 H new ATOM 1501 N CYS B 72 9.828 -3.727 46.091 1.00 6.68 N ATOM 1502 CA CYS B 72 9.563 -2.661 45.122 1.00 6.55 C ATOM 1503 C CYS B 72 9.893 -1.307 45.704 1.00 7.12 C ATOM 1504 O CYS B 72 9.899 -1.108 46.923 1.00 7.06 O ATOM 1505 CB CYS B 72 8.133 -2.693 44.586 1.00 7.52 C ATOM 1506 SG CYS B 72 7.950 -3.951 43.289 1.00 8.93 S ATOM 0 H CYS B 72 9.205 -3.855 46.670 1.00 6.68 H new ATOM 0 HA CYS B 72 10.147 -2.822 44.365 1.00 6.55 H new ATOM 0 HB2 CYS B 72 7.517 -2.880 45.311 1.00 7.52 H new ATOM 0 HB3 CYS B 72 7.898 -1.821 44.231 1.00 7.52 H new ATOM 1507 N TYR B 73 10.176 -0.380 44.802 1.00 6.94 N ATOM 1508 CA TYR B 73 10.616 0.958 45.168 1.00 7.00 C ATOM 1509 C TYR B 73 9.979 1.940 44.225 1.00 7.39 C ATOM 1510 O TYR B 73 10.000 1.742 43.009 1.00 7.57 O ATOM 1511 CB TYR B 73 12.145 1.051 45.102 1.00 8.10 C ATOM 1512 CG TYR B 73 12.778 0.229 46.188 1.00 7.25 C ATOM 1513 CD1 TYR B 73 13.001 -1.132 45.999 1.00 8.51 C ATOM 1514 CD2 TYR B 73 13.094 0.790 47.422 1.00 8.00 C ATOM 1515 CE1 TYR B 73 13.538 -1.926 47.007 1.00 9.19 C ATOM 1516 CE2 TYR B 73 13.657 0.007 48.440 1.00 8.46 C ATOM 1517 CZ TYR B 73 13.859 -1.355 48.217 1.00 9.03 C ATOM 1518 OH TYR B 73 14.407 -2.167 49.199 1.00 10.76 O ATOM 0 H TYR B 73 10.118 -0.509 43.954 1.00 6.94 H new ATOM 0 HA TYR B 73 10.348 1.161 46.078 1.00 7.00 H new ATOM 0 HB2 TYR B 73 12.455 0.743 44.236 1.00 8.10 H new ATOM 0 HB3 TYR B 73 12.421 1.977 45.189 1.00 8.10 H new ATOM 0 HD1 TYR B 73 12.786 -1.519 45.181 1.00 8.51 H new ATOM 0 HD2 TYR B 73 12.930 1.693 47.573 1.00 8.00 H new ATOM 0 HE1 TYR B 73 13.679 -2.834 46.864 1.00 9.19 H new ATOM 0 HE2 TYR B 73 13.893 0.391 49.254 1.00 8.46 H new ATOM 0 HH TYR B 73 14.762 -2.839 48.841 1.00 10.76 H new ATOM 1519 N GLN B 74 9.396 2.982 44.808 1.00 6.70 N ATOM 1520 CA GLN B 74 8.807 4.080 44.060 1.00 7.92 C ATOM 1521 C GLN B 74 9.787 5.245 43.998 1.00 8.28 C ATOM 1522 O GLN B 74 10.375 5.634 45.031 1.00 8.20 O ATOM 1523 CB GLN B 74 7.512 4.550 44.711 1.00 7.65 C ATOM 1524 CG GLN B 74 6.803 5.609 43.887 1.00 9.31 C ATOM 1525 CD GLN B 74 6.087 6.603 44.745 1.00 12.98 C ATOM 1526 OE1 GLN B 74 5.063 6.297 45.337 1.00 12.69 O ATOM 1527 NE2 GLN B 74 6.624 7.823 44.812 1.00 13.28 N ATOM 0 H GLN B 74 9.332 3.070 45.661 1.00 6.70 H new ATOM 0 HA GLN B 74 8.610 3.764 43.164 1.00 7.92 H new ATOM 0 HB2 GLN B 74 6.921 3.791 44.835 1.00 7.65 H new ATOM 0 HB3 GLN B 74 7.706 4.906 45.592 1.00 7.65 H new ATOM 0 HG2 GLN B 74 7.449 6.070 43.330 1.00 9.31 H new ATOM 0 HG3 GLN B 74 6.168 5.182 43.290 1.00 9.31 H new ATOM 0 HE21 GLN B 74 7.347 7.999 44.380 1.00 13.28 H new ATOM 0 HE22 GLN B 74 6.247 8.433 45.287 1.00 13.28 H new ATOM 1528 N SER B 75 9.971 5.798 42.798 1.00 11.13 N ATOM 1529 CA SER B 75 10.850 6.949 42.655 1.00 11.90 C ATOM 1530 C SER B 75 10.281 8.129 43.426 1.00 12.45 C ATOM 1531 O SER B 75 9.091 8.403 43.380 1.00 12.55 O ATOM 1532 CB SER B 75 11.062 7.295 41.172 1.00 12.22 C ATOM 1533 OG SER B 75 9.855 7.742 40.564 1.00 13.30 O ATOM 0 H SER B 75 9.603 5.526 42.070 1.00 11.13 H new ATOM 0 HA SER B 75 11.719 6.731 43.026 1.00 11.90 H new ATOM 0 HB2 SER B 75 11.740 7.984 41.093 1.00 12.22 H new ATOM 0 HB3 SER B 75 11.394 6.515 40.701 1.00 12.22 H new ATOM 0 HG SER B 75 9.854 8.581 40.526 1.00 13.30 H new ATOM 1534 N TYR B 76 11.136 8.848 44.144 1.00 11.74 N ATOM 1535 CA TYR B 76 10.658 10.020 44.848 1.00 11.72 C ATOM 1536 C TYR B 76 10.193 11.102 43.876 1.00 12.15 C ATOM 1537 O TYR B 76 9.235 11.810 44.160 1.00 11.99 O ATOM 1538 CB TYR B 76 11.778 10.603 45.690 1.00 12.45 C ATOM 1539 CG TYR B 76 12.223 9.806 46.890 1.00 11.32 C ATOM 1540 CD1 TYR B 76 11.318 9.079 47.675 1.00 12.50 C ATOM 1541 CD2 TYR B 76 13.549 9.834 47.275 1.00 12.28 C ATOM 1542 CE1 TYR B 76 11.747 8.389 48.807 1.00 11.85 C ATOM 1543 CE2 TYR B 76 13.994 9.143 48.397 1.00 12.03 C ATOM 1544 CZ TYR B 76 13.095 8.422 49.159 1.00 11.78 C ATOM 1545 OH TYR B 76 13.549 7.744 50.275 1.00 12.77 O ATOM 0 H TYR B 76 11.974 8.678 44.233 1.00 11.74 H new ATOM 0 HA TYR B 76 9.912 9.743 45.403 1.00 11.72 H new ATOM 0 HB2 TYR B 76 12.548 10.737 45.115 1.00 12.45 H new ATOM 0 HB3 TYR B 76 11.498 11.479 45.998 1.00 12.45 H new ATOM 0 HD1 TYR B 76 10.419 9.057 47.437 1.00 12.50 H new ATOM 0 HD2 TYR B 76 14.158 10.326 46.773 1.00 12.28 H new ATOM 0 HE1 TYR B 76 11.139 7.911 49.323 1.00 11.85 H new ATOM 0 HE2 TYR B 76 14.893 9.166 48.633 1.00 12.03 H new ATOM 0 HH TYR B 76 14.377 7.858 50.354 1.00 12.77 H new ATOM 1546 N SER B 77 10.904 11.229 42.756 1.00 12.18 N ATOM 1547 CA SER B 77 10.618 12.234 41.742 1.00 12.35 C ATOM 1548 C SER B 77 9.818 11.636 40.608 1.00 13.18 C ATOM 1549 O SER B 77 9.852 10.427 40.388 1.00 13.90 O ATOM 1550 CB SER B 77 11.926 12.783 41.179 1.00 12.70 C ATOM 1551 OG SER B 77 12.745 13.306 42.222 1.00 13.96 O ATOM 0 H SER B 77 11.574 10.725 42.564 1.00 12.18 H new ATOM 0 HA SER B 77 10.105 12.945 42.156 1.00 12.35 H new ATOM 0 HB2 SER B 77 12.402 12.080 40.710 1.00 12.70 H new ATOM 0 HB3 SER B 77 11.737 13.479 40.530 1.00 12.70 H new ATOM 0 HG SER B 77 13.540 13.355 41.956 1.00 13.96 H new ATOM 1552 N THR B 78 9.095 12.475 39.883 1.00 13.88 N ATOM 1553 CA THR B 78 8.538 12.027 38.614 1.00 14.67 C ATOM 1554 C THR B 78 9.666 11.910 37.590 1.00 15.01 C ATOM 1555 O THR B 78 10.718 12.562 37.703 1.00 14.92 O ATOM 1556 CB THR B 78 7.456 12.962 38.075 1.00 15.04 C ATOM 1557 OG1 THR B 78 8.041 14.235 37.778 1.00 16.30 O ATOM 1558 CG2 THR B 78 6.352 13.130 39.109 1.00 16.54 C ATOM 0 H THR B 78 8.917 13.288 40.099 1.00 13.88 H new ATOM 0 HA THR B 78 8.117 11.167 38.769 1.00 14.67 H new ATOM 0 HB THR B 78 7.073 12.583 37.268 1.00 15.04 H new ATOM 0 HG1 THR B 78 8.399 14.547 38.471 1.00 16.30 H new ATOM 0 HG21 THR B 78 5.669 13.724 38.760 1.00 16.54 H new ATOM 0 HG22 THR B 78 5.958 12.266 39.305 1.00 16.54 H new ATOM 0 HG23 THR B 78 6.724 13.507 39.921 1.00 16.54 H new ATOM 1559 N MET B 79 9.450 11.036 36.614 1.00 14.48 N ATOM 1560 CA MET B 79 10.395 10.782 35.543 1.00 14.64 C ATOM 1561 C MET B 79 9.690 10.842 34.201 1.00 14.46 C ATOM 1562 O MET B 79 8.500 10.546 34.112 1.00 14.89 O ATOM 1563 CB MET B 79 10.976 9.382 35.722 1.00 14.50 C ATOM 1564 CG MET B 79 11.860 9.269 36.930 1.00 13.78 C ATOM 1565 SD MET B 79 12.679 7.668 37.000 1.00 15.16 S ATOM 1566 CE MET B 79 13.791 7.979 38.351 1.00 14.22 C ATOM 0 H MET B 79 8.733 10.565 36.558 1.00 14.48 H new ATOM 0 HA MET B 79 11.096 11.452 35.571 1.00 14.64 H new ATOM 0 HB2 MET B 79 10.251 8.742 35.796 1.00 14.50 H new ATOM 0 HB3 MET B 79 11.484 9.144 34.931 1.00 14.50 H new ATOM 0 HG2 MET B 79 12.526 9.974 36.912 1.00 13.78 H new ATOM 0 HG3 MET B 79 11.331 9.399 37.733 1.00 13.78 H new ATOM 0 HE1 MET B 79 14.345 7.197 38.501 1.00 14.22 H new ATOM 0 HE2 MET B 79 14.355 8.739 38.138 1.00 14.22 H new ATOM 0 HE3 MET B 79 13.280 8.171 39.153 1.00 14.22 H new ATOM 1567 N SER B 80 10.432 11.226 33.166 1.00 14.10 N ATOM 1568 CA SER B 80 9.940 11.205 31.802 1.00 14.59 C ATOM 1569 C SER B 80 9.788 9.761 31.343 1.00 14.71 C ATOM 1570 O SER B 80 10.756 8.993 31.340 1.00 15.26 O ATOM 1571 CB SER B 80 10.908 11.947 30.882 1.00 14.77 C ATOM 1572 OG SER B 80 10.510 11.808 29.539 1.00 15.65 O ATOM 0 H SER B 80 11.241 11.508 33.241 1.00 14.10 H new ATOM 0 HA SER B 80 9.078 11.648 31.765 1.00 14.59 H new ATOM 0 HB2 SER B 80 10.936 12.886 31.122 1.00 14.77 H new ATOM 0 HB3 SER B 80 11.806 11.598 30.998 1.00 14.77 H new ATOM 0 HG SER B 80 10.820 12.445 29.087 1.00 15.65 H new ATOM 1573 N ILE B 81 8.566 9.395 30.964 1.00 14.72 N ATOM 1574 CA ILE B 81 8.296 8.051 30.448 1.00 15.08 C ATOM 1575 C ILE B 81 7.461 8.080 29.164 1.00 15.28 C ATOM 1576 O ILE B 81 6.828 9.086 28.831 1.00 14.95 O ATOM 1577 CB ILE B 81 7.611 7.136 31.502 1.00 15.54 C ATOM 1578 CG1 ILE B 81 6.213 7.649 31.850 1.00 16.41 C ATOM 1579 CG2 ILE B 81 8.476 7.027 32.751 1.00 16.03 C ATOM 1580 CD1 ILE B 81 5.418 6.700 32.696 1.00 20.07 C ATOM 0 H ILE B 81 7.877 9.909 30.997 1.00 14.72 H new ATOM 0 HA ILE B 81 9.165 7.674 30.240 1.00 15.08 H new ATOM 0 HB ILE B 81 7.513 6.251 31.118 1.00 15.54 H new ATOM 0 HG12 ILE B 81 6.294 8.496 32.316 1.00 16.41 H new ATOM 0 HG13 ILE B 81 5.727 7.823 31.029 1.00 16.41 H new ATOM 0 HG21 ILE B 81 8.038 6.454 33.400 1.00 16.03 H new ATOM 0 HG22 ILE B 81 9.338 6.648 32.516 1.00 16.03 H new ATOM 0 HG23 ILE B 81 8.604 7.909 33.134 1.00 16.03 H new ATOM 0 HD11 ILE B 81 4.546 7.083 32.880 1.00 20.07 H new ATOM 0 HD12 ILE B 81 5.308 5.860 32.224 1.00 20.07 H new ATOM 0 HD13 ILE B 81 5.885 6.543 33.532 1.00 20.07 H new ATOM 1581 N THR B 82 7.459 6.951 28.457 1.00 14.63 N ATOM 1582 CA THR B 82 6.530 6.719 27.359 1.00 14.29 C ATOM 1583 C THR B 82 5.767 5.430 27.614 1.00 14.41 C ATOM 1584 O THR B 82 6.345 4.355 27.822 1.00 14.14 O ATOM 1585 CB THR B 82 7.243 6.679 26.005 1.00 14.31 C ATOM 1586 OG1 THR B 82 7.958 7.908 25.821 1.00 14.41 O ATOM 1587 CG2 THR B 82 6.231 6.533 24.866 1.00 14.43 C ATOM 0 H THR B 82 7.999 6.298 28.603 1.00 14.63 H new ATOM 0 HA THR B 82 5.906 7.461 27.321 1.00 14.29 H new ATOM 0 HB THR B 82 7.848 5.921 25.993 1.00 14.31 H new ATOM 0 HG1 THR B 82 8.783 7.751 25.793 1.00 14.41 H new ATOM 0 HG21 THR B 82 6.700 6.509 24.017 1.00 14.43 H new ATOM 0 HG22 THR B 82 5.730 5.710 24.981 1.00 14.43 H new ATOM 0 HG23 THR B 82 5.620 7.287 24.877 1.00 14.43 H new ATOM 1588 N ASP B 83 4.451 5.551 27.598 1.00 14.62 N ATOM 1589 CA ASP B 83 3.577 4.417 27.686 1.00 14.51 C ATOM 1590 C ASP B 83 3.242 3.936 26.283 1.00 14.27 C ATOM 1591 O ASP B 83 2.797 4.713 25.427 1.00 14.99 O ATOM 1592 CB AASP B 83 2.281 4.774 28.422 0.70 14.85 C ATOM 1593 CB BASP B 83 2.333 4.834 28.448 0.30 14.17 C ATOM 1594 CG AASP B 83 2.455 4.879 29.931 0.70 15.84 C ATOM 1595 CG BASP B 83 1.314 3.756 28.504 0.30 13.43 C ATOM 1596 OD1AASP B 83 3.133 4.018 30.534 0.70 19.11 O ATOM 1597 OD1BASP B 83 0.551 3.622 27.524 0.30 13.50 O ATOM 1598 OD2AASP B 83 1.902 5.836 30.516 0.70 19.28 O ATOM 1599 OD2BASP B 83 1.266 3.051 29.530 0.30 13.21 O ATOM 0 H ASP B 83 4.043 6.305 27.535 1.00 14.62 H new ATOM 0 HA ASP B 83 4.029 3.718 28.184 1.00 14.51 H new ATOM 0 HB2AASP B 83 1.945 5.618 28.082 0.70 14.17 H new ATOM 0 HB2BASP B 83 2.580 5.089 29.351 0.30 14.17 H new ATOM 0 HB3AASP B 83 1.609 4.102 28.226 0.70 14.17 H new ATOM 0 HB3BASP B 83 1.947 5.618 28.027 0.30 14.17 H new ATOM 1600 N CYS B 84 3.509 2.662 26.042 1.00 14.02 N ATOM 1601 CA CYS B 84 3.169 2.021 24.783 1.00 13.09 C ATOM 1602 C CYS B 84 2.065 1.031 25.077 1.00 13.28 C ATOM 1603 O CYS B 84 2.240 0.120 25.890 1.00 13.14 O ATOM 1604 CB CYS B 84 4.374 1.260 24.219 1.00 14.09 C ATOM 1605 SG CYS B 84 5.770 2.301 23.758 1.00 13.55 S ATOM 0 H CYS B 84 3.895 2.142 26.608 1.00 14.02 H new ATOM 0 HA CYS B 84 2.897 2.687 24.133 1.00 13.09 H new ATOM 0 HB2 CYS B 84 4.671 0.614 24.879 1.00 14.09 H new ATOM 0 HB3 CYS B 84 4.089 0.758 23.439 1.00 14.09 H new ATOM 1606 N ARG B 85 0.921 1.213 24.435 1.00 12.45 N ATOM 1607 CA ARG B 85 -0.169 0.274 24.567 1.00 12.25 C ATOM 1608 C ARG B 85 -0.705 -0.115 23.205 1.00 12.49 C ATOM 1609 O ARG B 85 -1.008 0.732 22.368 1.00 12.14 O ATOM 1610 CB ARG B 85 -1.279 0.838 25.454 1.00 11.99 C ATOM 1611 CG ARG B 85 -2.366 -0.188 25.749 1.00 11.43 C ATOM 1612 CD ARG B 85 -3.350 0.324 26.780 1.00 10.65 C ATOM 1613 NE ARG B 85 -2.813 0.327 28.138 1.00 12.15 N ATOM 1614 CZ ARG B 85 -3.113 -0.549 29.096 1.00 10.19 C ATOM 1615 NH1 ARG B 85 -3.954 -1.561 28.881 1.00 9.99 N ATOM 1616 NH2 ARG B 85 -2.557 -0.379 30.296 1.00 11.44 N ATOM 0 H ARG B 85 0.759 1.879 23.916 1.00 12.45 H new ATOM 0 HA ARG B 85 0.172 -0.525 24.998 1.00 12.25 H new ATOM 0 HB2 ARG B 85 -0.896 1.148 26.289 1.00 11.99 H new ATOM 0 HB3 ARG B 85 -1.675 1.610 25.020 1.00 11.99 H new ATOM 0 HG2 ARG B 85 -2.838 -0.405 24.930 1.00 11.43 H new ATOM 0 HG3 ARG B 85 -1.959 -1.009 26.068 1.00 11.43 H new ATOM 0 HD2 ARG B 85 -3.618 1.226 26.543 1.00 10.65 H new ATOM 0 HD3 ARG B 85 -4.149 -0.225 26.756 1.00 10.65 H new ATOM 0 HE ARG B 85 -2.254 0.949 28.337 1.00 12.15 H new ATOM 0 HH11 ARG B 85 -4.318 -1.661 28.108 1.00 9.99 H new ATOM 0 HH12 ARG B 85 -4.132 -2.114 29.515 1.00 9.99 H new ATOM 0 HH21 ARG B 85 -2.023 0.281 30.433 1.00 11.44 H new ATOM 0 HH22 ARG B 85 -2.733 -0.929 30.933 1.00 11.44 H new ATOM 1617 N GLU B 86 -0.824 -1.418 23.000 1.00 13.13 N ATOM 1618 CA GLU B 86 -1.307 -1.949 21.754 1.00 13.24 C ATOM 1619 C GLU B 86 -2.704 -1.393 21.453 1.00 12.93 C ATOM 1620 O GLU B 86 -3.509 -1.183 22.368 1.00 12.48 O ATOM 1621 CB GLU B 86 -1.344 -3.465 21.881 1.00 13.48 C ATOM 1622 CG GLU B 86 -1.643 -4.209 20.637 1.00 15.87 C ATOM 1623 CD GLU B 86 -1.622 -5.700 20.850 1.00 16.68 C ATOM 1624 OE1 GLU B 86 -1.807 -6.153 22.001 1.00 16.51 O ATOM 1625 OE2 GLU B 86 -1.425 -6.418 19.859 1.00 16.82 O ATOM 0 H GLU B 86 -0.624 -2.015 23.586 1.00 13.13 H new ATOM 0 HA GLU B 86 -0.725 -1.692 21.022 1.00 13.24 H new ATOM 0 HB2 GLU B 86 -0.486 -3.765 22.219 1.00 13.48 H new ATOM 0 HB3 GLU B 86 -2.009 -3.701 22.547 1.00 13.48 H new ATOM 0 HG2 GLU B 86 -2.514 -3.943 20.304 1.00 15.87 H new ATOM 0 HG3 GLU B 86 -0.995 -3.972 19.956 1.00 15.87 H new ATOM 1626 N THR B 87 -2.978 -1.135 20.177 1.00 13.32 N ATOM 1627 CA THR B 87 -4.294 -0.663 19.774 1.00 13.69 C ATOM 1628 C THR B 87 -5.305 -1.807 19.846 1.00 14.30 C ATOM 1629 O THR B 87 -4.928 -2.979 19.864 1.00 14.02 O ATOM 1630 CB THR B 87 -4.274 -0.064 18.355 1.00 13.51 C ATOM 1631 OG1 THR B 87 -3.981 -1.088 17.396 1.00 14.43 O ATOM 1632 CG2 THR B 87 -3.240 1.044 18.256 1.00 13.72 C ATOM 0 H THR B 87 -2.416 -1.227 19.533 1.00 13.32 H new ATOM 0 HA THR B 87 -4.557 0.040 20.388 1.00 13.69 H new ATOM 0 HB THR B 87 -5.149 0.311 18.168 1.00 13.51 H new ATOM 0 HG1 THR B 87 -4.065 -0.778 16.620 1.00 14.43 H new ATOM 0 HG21 THR B 87 -3.241 1.409 17.357 1.00 13.72 H new ATOM 0 HG22 THR B 87 -3.456 1.746 18.890 1.00 13.72 H new ATOM 0 HG23 THR B 87 -2.361 0.686 18.458 1.00 13.72 H new ATOM 1633 N GLY B 88 -6.587 -1.461 19.898 1.00 14.75 N ATOM 1634 CA GLY B 88 -7.656 -2.461 19.885 1.00 15.90 C ATOM 1635 C GLY B 88 -7.687 -3.290 18.617 1.00 16.44 C ATOM 1636 O GLY B 88 -8.116 -4.451 18.637 1.00 16.44 O ATOM 0 H GLY B 88 -6.863 -0.648 19.942 1.00 14.75 H new ATOM 0 HA2 GLY B 88 -7.547 -3.051 20.647 1.00 15.90 H new ATOM 0 HA3 GLY B 88 -8.510 -2.014 19.992 1.00 15.90 H new ATOM 1637 N SER B 89 -7.232 -2.699 17.513 1.00 16.77 N ATOM 1638 CA SER B 89 -7.229 -3.370 16.214 1.00 17.82 C ATOM 1639 C SER B 89 -5.892 -4.035 15.841 1.00 17.70 C ATOM 1640 O SER B 89 -5.793 -4.678 14.790 1.00 18.19 O ATOM 1641 CB SER B 89 -7.692 -2.404 15.109 1.00 17.91 C ATOM 1642 OG SER B 89 -6.975 -1.180 15.154 1.00 20.46 O ATOM 0 H SER B 89 -6.917 -1.899 17.496 1.00 16.77 H new ATOM 0 HA SER B 89 -7.861 -4.101 16.294 1.00 17.82 H new ATOM 0 HB2 SER B 89 -7.569 -2.820 14.242 1.00 17.91 H new ATOM 0 HB3 SER B 89 -8.641 -2.228 15.208 1.00 17.91 H new ATOM 0 HG SER B 89 -6.153 -1.334 15.077 1.00 20.46 H new ATOM 1643 N SER B 90 -4.881 -3.888 16.701 1.00 17.84 N ATOM 1644 CA SER B 90 -3.553 -4.470 16.469 1.00 17.94 C ATOM 1645 C SER B 90 -3.612 -5.986 16.400 1.00 18.50 C ATOM 1646 O SER B 90 -4.250 -6.636 17.232 1.00 18.81 O ATOM 1647 CB SER B 90 -2.573 -4.052 17.567 1.00 17.49 C ATOM 1648 OG SER B 90 -1.337 -4.758 17.466 1.00 16.45 O ATOM 0 H SER B 90 -4.945 -3.447 17.437 1.00 17.84 H new ATOM 0 HA SER B 90 -3.242 -4.132 15.615 1.00 17.94 H new ATOM 0 HB2 SER B 90 -2.407 -3.098 17.507 1.00 17.49 H new ATOM 0 HB3 SER B 90 -2.970 -4.217 18.436 1.00 17.49 H new ATOM 0 HG SER B 90 -1.269 -5.297 18.107 1.00 16.45 H new ATOM 1649 N LYS B 91 -2.935 -6.547 15.406 1.00 19.07 N ATOM 1650 CA LYS B 91 -2.928 -7.983 15.222 1.00 20.00 C ATOM 1651 C LYS B 91 -1.571 -8.421 14.697 1.00 19.96 C ATOM 1652 O LYS B 91 -1.157 -8.011 13.608 1.00 20.05 O ATOM 1653 CB LYS B 91 -4.042 -8.397 14.257 1.00 20.12 C ATOM 1654 CG LYS B 91 -4.285 -9.890 14.174 1.00 21.43 C ATOM 1655 CD LYS B 91 -5.256 -10.195 13.047 1.00 22.77 C ATOM 1656 CE LYS B 91 -5.229 -11.660 12.648 1.00 23.53 C ATOM 1657 NZ LYS B 91 -5.972 -11.870 11.381 1.00 24.71 N ATOM 0 H LYS B 91 -2.473 -6.109 14.828 1.00 19.07 H new ATOM 0 HA LYS B 91 -3.089 -8.418 16.074 1.00 20.00 H new ATOM 0 HB2 LYS B 91 -4.866 -7.962 14.528 1.00 20.12 H new ATOM 0 HB3 LYS B 91 -3.825 -8.067 13.371 1.00 20.12 H new ATOM 0 HG2 LYS B 91 -3.447 -10.354 14.023 1.00 21.43 H new ATOM 0 HG3 LYS B 91 -4.642 -10.215 15.016 1.00 21.43 H new ATOM 0 HD2 LYS B 91 -6.154 -9.953 13.322 1.00 22.77 H new ATOM 0 HD3 LYS B 91 -5.037 -9.647 12.277 1.00 22.77 H new ATOM 0 HE2 LYS B 91 -4.311 -11.955 12.543 1.00 23.53 H new ATOM 0 HE3 LYS B 91 -5.621 -12.199 13.352 1.00 23.53 H new ATOM 0 HZ1 LYS B 91 -5.947 -12.732 11.161 1.00 24.71 H new ATOM 0 HZ2 LYS B 91 -6.818 -11.616 11.487 1.00 24.71 H new ATOM 0 HZ3 LYS B 91 -5.597 -11.388 10.733 1.00 24.71 H new ATOM 1658 N TYR B 92 -0.880 -9.236 15.491 1.00 20.11 N ATOM 1659 CA TYR B 92 0.370 -9.866 15.072 1.00 20.28 C ATOM 1660 C TYR B 92 0.167 -10.520 13.700 1.00 20.33 C ATOM 1661 O TYR B 92 -0.880 -11.123 13.461 1.00 20.58 O ATOM 1662 CB TYR B 92 0.795 -10.913 16.107 1.00 20.33 C ATOM 1663 CG TYR B 92 2.115 -11.588 15.809 1.00 20.51 C ATOM 1664 CD1 TYR B 92 3.319 -11.005 16.200 1.00 20.77 C ATOM 1665 CD2 TYR B 92 2.159 -12.811 15.137 1.00 20.60 C ATOM 1666 CE1 TYR B 92 4.536 -11.617 15.928 1.00 20.41 C ATOM 1667 CE2 TYR B 92 3.373 -13.432 14.856 1.00 20.52 C ATOM 1668 CZ TYR B 92 4.555 -12.831 15.253 1.00 20.57 C ATOM 1669 OH TYR B 92 5.758 -13.438 14.989 1.00 20.82 O ATOM 0 H TYR B 92 -1.124 -9.440 16.290 1.00 20.11 H new ATOM 0 HA TYR B 92 1.070 -9.198 15.006 1.00 20.28 H new ATOM 0 HB2 TYR B 92 0.851 -10.487 16.977 1.00 20.33 H new ATOM 0 HB3 TYR B 92 0.104 -11.591 16.167 1.00 20.33 H new ATOM 0 HD1 TYR B 92 3.307 -10.192 16.651 1.00 20.77 H new ATOM 0 HD2 TYR B 92 1.365 -13.217 14.873 1.00 20.60 H new ATOM 0 HE1 TYR B 92 5.332 -11.217 16.196 1.00 20.41 H new ATOM 0 HE2 TYR B 92 3.390 -14.245 14.405 1.00 20.52 H new ATOM 0 HH TYR B 92 6.350 -13.118 15.492 1.00 20.82 H new ATOM 1670 N PRO B 93 1.159 -10.408 12.792 1.00 20.47 N ATOM 1671 CA PRO B 93 2.495 -9.821 12.913 1.00 20.31 C ATOM 1672 C PRO B 93 2.560 -8.302 12.734 1.00 20.20 C ATOM 1673 O PRO B 93 3.648 -7.725 12.821 1.00 21.13 O ATOM 1674 CB PRO B 93 3.262 -10.506 11.778 1.00 20.28 C ATOM 1675 CG PRO B 93 2.242 -10.683 10.724 1.00 20.44 C ATOM 1676 CD PRO B 93 0.937 -10.950 11.437 1.00 20.40 C ATOM 0 HA PRO B 93 2.846 -9.958 13.807 1.00 20.31 H new ATOM 0 HB2 PRO B 93 4.003 -9.962 11.469 1.00 20.28 H new ATOM 0 HB3 PRO B 93 3.633 -11.356 12.061 1.00 20.28 H new ATOM 0 HG2 PRO B 93 2.177 -9.890 10.169 1.00 20.44 H new ATOM 0 HG3 PRO B 93 2.474 -11.421 10.139 1.00 20.44 H new ATOM 0 HD2 PRO B 93 0.194 -10.511 10.995 1.00 20.40 H new ATOM 0 HD3 PRO B 93 0.732 -11.898 11.462 1.00 20.40 H new ATOM 1677 N ASN B 94 1.419 -7.663 12.490 1.00 19.77 N ATOM 1678 CA ASN B 94 1.381 -6.212 12.334 1.00 19.24 C ATOM 1679 C ASN B 94 1.046 -5.534 13.660 1.00 18.59 C ATOM 1680 O ASN B 94 -0.041 -4.974 13.823 1.00 18.38 O ATOM 1681 CB ASN B 94 0.375 -5.800 11.248 1.00 19.38 C ATOM 1682 CG ASN B 94 0.746 -6.313 9.860 1.00 20.19 C ATOM 1683 OD1 ASN B 94 1.909 -6.589 9.567 1.00 21.03 O ATOM 1684 ND2 ASN B 94 -0.253 -6.427 8.997 1.00 22.11 N ATOM 0 H ASN B 94 0.656 -8.051 12.411 1.00 19.77 H new ATOM 0 HA ASN B 94 2.263 -5.919 12.055 1.00 19.24 H new ATOM 0 HB2 ASN B 94 -0.504 -6.134 11.486 1.00 19.38 H new ATOM 0 HB3 ASN B 94 0.313 -4.832 11.223 1.00 19.38 H new ATOM 0 HD21 ASN B 94 -0.101 -6.703 8.197 1.00 22.11 H new ATOM 0 HD22 ASN B 94 -1.054 -6.225 9.237 1.00 22.11 H new ATOM 1685 N CYS B 95 1.985 -5.600 14.603 1.00 17.83 N ATOM 1686 CA CYS B 95 1.791 -5.020 15.933 1.00 17.36 C ATOM 1687 C CYS B 95 1.735 -3.503 15.844 1.00 17.26 C ATOM 1688 O CYS B 95 2.580 -2.875 15.199 1.00 17.88 O ATOM 1689 CB CYS B 95 2.903 -5.454 16.889 1.00 16.88 C ATOM 1690 SG CYS B 95 2.986 -7.228 17.170 1.00 16.78 S ATOM 0 H CYS B 95 2.748 -5.980 14.491 1.00 17.83 H new ATOM 0 HA CYS B 95 0.947 -5.346 16.284 1.00 17.36 H new ATOM 0 HB2 CYS B 95 3.755 -5.153 16.536 1.00 16.88 H new ATOM 0 HB3 CYS B 95 2.775 -5.008 17.741 1.00 16.88 H new ATOM 1691 N ALA B 96 0.719 -2.922 16.474 1.00 16.45 N ATOM 1692 CA ALA B 96 0.503 -1.487 16.405 1.00 15.82 C ATOM 1693 C ALA B 96 0.217 -0.938 17.785 1.00 15.42 C ATOM 1694 O ALA B 96 -0.569 -1.509 18.534 1.00 15.19 O ATOM 1695 CB ALA B 96 -0.637 -1.159 15.438 1.00 16.07 C ATOM 0 H ALA B 96 0.141 -3.347 16.949 1.00 16.45 H new ATOM 0 HA ALA B 96 1.309 -1.066 16.068 1.00 15.82 H new ATOM 0 HB1 ALA B 96 -0.767 -0.198 15.405 1.00 16.07 H new ATOM 0 HB2 ALA B 96 -0.414 -1.486 14.552 1.00 16.07 H new ATOM 0 HB3 ALA B 96 -1.453 -1.585 15.743 1.00 16.07 H new ATOM 1696 N TYR B 97 0.849 0.188 18.088 1.00 14.98 N ATOM 1697 CA TYR B 97 0.816 0.776 19.417 1.00 14.83 C ATOM 1698 C TYR B 97 0.470 2.244 19.369 1.00 15.04 C ATOM 1699 O TYR B 97 0.865 2.950 18.442 1.00 15.68 O ATOM 1700 CB TYR B 97 2.190 0.642 20.063 1.00 14.18 C ATOM 1701 CG TYR B 97 2.562 -0.787 20.332 1.00 13.79 C ATOM 1702 CD1 TYR B 97 2.237 -1.386 21.547 1.00 14.07 C ATOM 1703 CD2 TYR B 97 3.198 -1.559 19.362 1.00 13.26 C ATOM 1704 CE1 TYR B 97 2.557 -2.709 21.803 1.00 13.85 C ATOM 1705 CE2 TYR B 97 3.522 -2.891 19.606 1.00 13.04 C ATOM 1706 CZ TYR B 97 3.196 -3.459 20.828 1.00 12.29 C ATOM 1707 OH TYR B 97 3.505 -4.774 21.064 1.00 14.57 O ATOM 0 H TYR B 97 1.314 0.637 17.521 1.00 14.98 H new ATOM 0 HA TYR B 97 0.137 0.307 19.927 1.00 14.83 H new ATOM 0 HB2 TYR B 97 2.857 1.043 19.484 1.00 14.18 H new ATOM 0 HB3 TYR B 97 2.202 1.139 20.896 1.00 14.18 H new ATOM 0 HD1 TYR B 97 1.797 -0.888 22.198 1.00 14.07 H new ATOM 0 HD2 TYR B 97 3.409 -1.179 18.540 1.00 13.26 H new ATOM 0 HE1 TYR B 97 2.345 -3.092 22.624 1.00 13.85 H new ATOM 0 HE2 TYR B 97 3.953 -3.395 18.955 1.00 13.04 H new ATOM 0 HH TYR B 97 3.391 -4.947 21.878 1.00 14.57 H new ATOM 1708 N LYS B 98 -0.264 2.692 20.383 1.00 15.19 N ATOM 1709 CA LYS B 98 -0.384 4.111 20.655 1.00 16.07 C ATOM 1710 C LYS B 98 0.743 4.517 21.600 1.00 15.74 C ATOM 1711 O LYS B 98 1.020 3.834 22.600 1.00 15.72 O ATOM 1712 CB LYS B 98 -1.754 4.456 21.256 1.00 16.18 C ATOM 1713 CG LYS B 98 -2.950 4.248 20.316 1.00 18.61 C ATOM 1714 CD LYS B 98 -2.912 5.170 19.098 1.00 21.25 C ATOM 1715 CE LYS B 98 -4.011 4.823 18.111 1.00 23.01 C ATOM 1716 NZ LYS B 98 -3.673 5.289 16.741 1.00 24.94 N ATOM 0 H LYS B 98 -0.700 2.186 20.924 1.00 15.19 H new ATOM 0 HA LYS B 98 -0.312 4.604 19.823 1.00 16.07 H new ATOM 0 HB2 LYS B 98 -1.888 3.916 22.051 1.00 16.18 H new ATOM 0 HB3 LYS B 98 -1.742 5.383 21.541 1.00 16.18 H new ATOM 0 HG2 LYS B 98 -2.965 3.325 20.018 1.00 18.61 H new ATOM 0 HG3 LYS B 98 -3.773 4.401 20.807 1.00 18.61 H new ATOM 0 HD2 LYS B 98 -3.010 6.092 19.384 1.00 21.25 H new ATOM 0 HD3 LYS B 98 -2.048 5.099 18.662 1.00 21.25 H new ATOM 0 HE2 LYS B 98 -4.150 3.863 18.103 1.00 23.01 H new ATOM 0 HE3 LYS B 98 -4.845 5.228 18.396 1.00 23.01 H new ATOM 0 HZ1 LYS B 98 -4.332 5.074 16.183 1.00 24.94 H new ATOM 0 HZ2 LYS B 98 -3.566 6.172 16.746 1.00 24.94 H new ATOM 0 HZ3 LYS B 98 -2.919 4.900 16.473 1.00 24.94 H new ATOM 1717 N THR B 99 1.396 5.620 21.250 1.00 15.62 N ATOM 1718 CA THR B 99 2.463 6.230 22.030 1.00 15.23 C ATOM 1719 C THR B 99 1.895 7.357 22.889 1.00 15.36 C ATOM 1720 O THR B 99 1.238 8.270 22.371 1.00 15.61 O ATOM 1721 CB THR B 99 3.544 6.815 21.086 1.00 14.84 C ATOM 1722 OG1 THR B 99 4.174 5.755 20.356 1.00 14.68 O ATOM 1723 CG2 THR B 99 4.600 7.591 21.848 1.00 14.97 C ATOM 0 H THR B 99 1.222 6.048 20.525 1.00 15.62 H new ATOM 0 HA THR B 99 2.860 5.551 22.598 1.00 15.23 H new ATOM 0 HB THR B 99 3.101 7.427 20.477 1.00 14.84 H new ATOM 0 HG1 THR B 99 4.504 5.201 20.895 1.00 14.68 H new ATOM 0 HG21 THR B 99 5.257 7.941 21.226 1.00 14.97 H new ATOM 0 HG22 THR B 99 4.182 8.326 22.323 1.00 14.97 H new ATOM 0 HG23 THR B 99 5.038 7.003 22.484 1.00 14.97 H new ATOM 1724 N THR B 100 2.151 7.306 24.195 1.00 15.91 N ATOM 1725 CA THR B 100 1.750 8.395 25.082 1.00 16.39 C ATOM 1726 C THR B 100 2.893 8.801 26.009 1.00 16.62 C ATOM 1727 O THR B 100 3.377 8.005 26.814 1.00 16.81 O ATOM 1728 CB THR B 100 0.490 8.052 25.899 1.00 16.25 C ATOM 1729 OG1 THR B 100 -0.504 7.477 25.044 1.00 16.99 O ATOM 1730 CG2 THR B 100 -0.086 9.306 26.548 1.00 17.30 C ATOM 0 H THR B 100 2.553 6.654 24.585 1.00 15.91 H new ATOM 0 HA THR B 100 1.530 9.149 24.513 1.00 16.39 H new ATOM 0 HB THR B 100 0.740 7.419 26.590 1.00 16.25 H new ATOM 0 HG1 THR B 100 -1.220 7.911 25.115 1.00 16.99 H new ATOM 0 HG21 THR B 100 -0.878 9.072 27.058 1.00 17.30 H new ATOM 0 HG22 THR B 100 0.575 9.697 27.140 1.00 17.30 H new ATOM 0 HG23 THR B 100 -0.323 9.947 25.860 1.00 17.30 H new ATOM 1731 N GLN B 101 3.323 10.047 25.882 1.00 16.91 N ATOM 1732 CA GLN B 101 4.334 10.614 26.761 1.00 17.79 C ATOM 1733 C GLN B 101 3.708 10.986 28.092 1.00 17.29 C ATOM 1734 O GLN B 101 2.554 11.419 28.149 1.00 17.42 O ATOM 1735 CB GLN B 101 4.964 11.857 26.130 1.00 17.73 C ATOM 1736 CG GLN B 101 5.398 11.678 24.674 1.00 20.26 C ATOM 1737 CD GLN B 101 5.887 12.966 24.021 1.00 20.84 C ATOM 1738 OE1 GLN B 101 5.315 14.051 24.207 1.00 24.71 O ATOM 1739 NE2 GLN B 101 6.939 12.848 23.221 1.00 24.85 N ATOM 0 H GLN B 101 3.036 10.591 25.281 1.00 16.91 H new ATOM 0 HA GLN B 101 5.027 9.949 26.900 1.00 17.79 H new ATOM 0 HB2 GLN B 101 4.328 12.588 26.179 1.00 17.73 H new ATOM 0 HB3 GLN B 101 5.736 12.117 26.656 1.00 17.73 H new ATOM 0 HG2 GLN B 101 6.105 11.015 24.634 1.00 20.26 H new ATOM 0 HG3 GLN B 101 4.652 11.328 24.163 1.00 20.26 H new ATOM 0 HE21 GLN B 101 7.313 12.081 23.113 1.00 24.85 H new ATOM 0 HE22 GLN B 101 7.247 13.538 22.810 1.00 24.85 H new ATOM 1740 N ALA B 102 4.476 10.813 29.164 1.00 16.54 N ATOM 1741 CA ALA B 102 4.020 11.168 30.497 1.00 16.26 C ATOM 1742 C ALA B 102 5.179 11.484 31.430 1.00 15.57 C ATOM 1743 O ALA B 102 6.337 11.220 31.114 1.00 16.04 O ATOM 1744 CB ALA B 102 3.142 10.056 31.081 1.00 17.09 C ATOM 0 H ALA B 102 5.272 10.488 29.136 1.00 16.54 H new ATOM 0 HA ALA B 102 3.488 11.975 30.416 1.00 16.26 H new ATOM 0 HB1 ALA B 102 2.847 10.309 31.970 1.00 17.09 H new ATOM 0 HB2 ALA B 102 2.369 9.920 30.511 1.00 17.09 H new ATOM 0 HB3 ALA B 102 3.653 9.233 31.133 1.00 17.09 H new ATOM 1745 N ASN B 103 4.834 12.072 32.569 1.00 13.65 N ATOM 1746 CA ASN B 103 5.790 12.377 33.613 1.00 12.36 C ATOM 1747 C ASN B 103 5.207 11.845 34.913 1.00 10.85 C ATOM 1748 O ASN B 103 4.286 12.445 35.472 1.00 10.46 O ATOM 1749 CB ASN B 103 5.981 13.884 33.688 1.00 12.63 C ATOM 1750 CG ASN B 103 7.425 14.300 33.513 1.00 15.56 C ATOM 1751 OD1 ASN B 103 8.033 14.834 34.433 1.00 20.33 O ATOM 1752 ND2 ASN B 103 7.979 14.065 32.328 1.00 15.42 N ATOM 0 H ASN B 103 4.028 12.306 32.756 1.00 13.65 H new ATOM 0 HA ASN B 103 6.654 11.972 33.441 1.00 12.36 H new ATOM 0 HB2 ASN B 103 5.441 14.309 33.003 1.00 12.63 H new ATOM 0 HB3 ASN B 103 5.658 14.205 34.544 1.00 12.63 H new ATOM 0 HD21 ASN B 103 8.796 14.290 32.183 1.00 15.42 H new ATOM 0 HD22 ASN B 103 7.520 13.688 31.706 1.00 15.42 H new ATOM 1753 N LYS B 104 5.727 10.709 35.382 1.00 8.84 N ATOM 1754 CA LYS B 104 5.138 10.015 36.533 1.00 8.03 C ATOM 1755 C LYS B 104 6.221 9.387 37.394 1.00 7.14 C ATOM 1756 O LYS B 104 7.365 9.255 36.969 1.00 7.15 O ATOM 1757 CB LYS B 104 4.158 8.923 36.086 1.00 8.88 C ATOM 1758 CG LYS B 104 2.872 9.438 35.440 1.00 10.57 C ATOM 1759 CD LYS B 104 1.915 8.283 35.234 1.00 14.57 C ATOM 1760 CE LYS B 104 1.026 8.461 34.012 1.00 17.25 C ATOM 1761 NZ LYS B 104 0.772 7.129 33.361 1.00 18.99 N ATOM 0 H LYS B 104 6.420 10.323 35.049 1.00 8.84 H new ATOM 0 HA LYS B 104 4.655 10.678 37.051 1.00 8.03 H new ATOM 0 HB2 LYS B 104 4.610 8.339 35.456 1.00 8.88 H new ATOM 0 HB3 LYS B 104 3.923 8.382 36.856 1.00 8.88 H new ATOM 0 HG2 LYS B 104 2.463 10.113 36.004 1.00 10.57 H new ATOM 0 HG3 LYS B 104 3.072 9.861 34.590 1.00 10.57 H new ATOM 0 HD2 LYS B 104 2.422 7.461 35.142 1.00 14.57 H new ATOM 0 HD3 LYS B 104 1.358 8.186 36.022 1.00 14.57 H new ATOM 0 HE2 LYS B 104 0.185 8.868 34.272 1.00 17.25 H new ATOM 0 HE3 LYS B 104 1.449 9.063 33.380 1.00 17.25 H new ATOM 0 HZ1 LYS B 104 0.252 7.241 32.648 1.00 18.99 H new ATOM 0 HZ2 LYS B 104 1.546 6.769 33.109 1.00 18.99 H new ATOM 0 HZ3 LYS B 104 0.368 6.588 33.940 1.00 18.99 H new ATOM 1762 N HIS B 105 5.864 9.021 38.617 1.00 6.71 N ATOM 1763 CA HIS B 105 6.774 8.224 39.443 1.00 6.34 C ATOM 1764 C HIS B 105 6.782 6.795 38.925 1.00 6.87 C ATOM 1765 O HIS B 105 5.743 6.291 38.505 1.00 8.67 O ATOM 1766 CB HIS B 105 6.338 8.224 40.907 1.00 6.70 C ATOM 1767 CG HIS B 105 6.140 9.593 41.483 1.00 5.43 C ATOM 1768 ND1 HIS B 105 7.065 10.213 42.305 1.00 6.60 N ATOM 1769 CD2 HIS B 105 5.103 10.455 41.366 1.00 6.89 C ATOM 1770 CE1 HIS B 105 6.602 11.399 42.658 1.00 6.27 C ATOM 1771 NE2 HIS B 105 5.420 11.572 42.098 1.00 9.04 N ATOM 0 H HIS B 105 5.113 9.217 38.987 1.00 6.71 H new ATOM 0 HA HIS B 105 7.661 8.614 39.390 1.00 6.34 H new ATOM 0 HB2 HIS B 105 5.510 7.726 40.988 1.00 6.70 H new ATOM 0 HB3 HIS B 105 7.004 7.755 41.433 1.00 6.70 H new ATOM 0 HD1 HIS B 105 7.820 9.880 42.547 1.00 6.60 H new ATOM 0 HD2 HIS B 105 4.322 10.316 40.881 1.00 6.89 H new ATOM 0 HE1 HIS B 105 7.036 12.010 43.209 1.00 6.27 H new ATOM 1772 N ILE B 106 7.941 6.148 38.923 1.00 6.16 N ATOM 1773 CA ILE B 106 7.993 4.735 38.538 1.00 6.13 C ATOM 1774 C ILE B 106 8.115 3.867 39.784 1.00 5.93 C ATOM 1775 O ILE B 106 8.619 4.307 40.821 1.00 6.11 O ATOM 1776 CB ILE B 106 9.128 4.423 37.523 1.00 6.35 C ATOM 1777 CG1 ILE B 106 10.510 4.619 38.155 1.00 7.87 C ATOM 1778 CG2 ILE B 106 8.969 5.292 36.256 1.00 6.87 C ATOM 1779 CD1 ILE B 106 11.662 4.169 37.249 1.00 7.72 C ATOM 0 H ILE B 106 8.698 6.497 39.136 1.00 6.16 H new ATOM 0 HA ILE B 106 7.163 4.528 38.080 1.00 6.13 H new ATOM 0 HB ILE B 106 9.056 3.490 37.266 1.00 6.35 H new ATOM 0 HG12 ILE B 106 10.628 5.556 38.375 1.00 7.87 H new ATOM 0 HG13 ILE B 106 10.550 4.124 38.988 1.00 7.87 H new ATOM 0 HG21 ILE B 106 9.683 5.088 35.632 1.00 6.87 H new ATOM 0 HG22 ILE B 106 8.113 5.105 35.840 1.00 6.87 H new ATOM 0 HG23 ILE B 106 9.012 6.230 36.499 1.00 6.87 H new ATOM 0 HD11 ILE B 106 12.507 4.317 37.702 1.00 7.72 H new ATOM 0 HD12 ILE B 106 11.565 3.225 37.047 1.00 7.72 H new ATOM 0 HD13 ILE B 106 11.644 4.679 36.424 1.00 7.72 H new ATOM 1780 N ILE B 107 7.614 2.638 39.675 1.00 6.09 N ATOM 1781 CA ILE B 107 7.764 1.655 40.741 1.00 6.35 C ATOM 1782 C ILE B 107 8.420 0.442 40.119 1.00 6.68 C ATOM 1783 O ILE B 107 7.920 -0.116 39.140 1.00 6.85 O ATOM 1784 CB ILE B 107 6.405 1.272 41.369 1.00 6.63 C ATOM 1785 CG1 ILE B 107 5.735 2.520 41.955 1.00 7.70 C ATOM 1786 CG2 ILE B 107 6.597 0.177 42.431 1.00 6.93 C ATOM 1787 CD1 ILE B 107 4.354 2.268 42.512 1.00 8.25 C ATOM 0 H ILE B 107 7.182 2.354 38.988 1.00 6.09 H new ATOM 0 HA ILE B 107 8.301 2.022 41.461 1.00 6.35 H new ATOM 0 HB ILE B 107 5.821 0.912 40.683 1.00 6.63 H new ATOM 0 HG12 ILE B 107 6.298 2.878 42.659 1.00 7.70 H new ATOM 0 HG13 ILE B 107 5.677 3.199 41.265 1.00 7.70 H new ATOM 0 HG21 ILE B 107 5.738 -0.054 42.817 1.00 6.93 H new ATOM 0 HG22 ILE B 107 6.988 -0.609 42.018 1.00 6.93 H new ATOM 0 HG23 ILE B 107 7.187 0.502 43.129 1.00 6.93 H new ATOM 0 HD11 ILE B 107 3.991 3.096 42.864 1.00 8.25 H new ATOM 0 HD12 ILE B 107 3.776 1.936 41.807 1.00 8.25 H new ATOM 0 HD13 ILE B 107 4.407 1.610 43.223 1.00 8.25 H new ATOM 1788 N VAL B 108 9.560 0.056 40.678 1.00 7.08 N ATOM 1789 CA VAL B 108 10.340 -1.056 40.139 1.00 7.10 C ATOM 1790 C VAL B 108 10.658 -2.035 41.248 1.00 7.12 C ATOM 1791 O VAL B 108 10.779 -1.651 42.410 1.00 7.99 O ATOM 1792 CB VAL B 108 11.670 -0.548 39.494 1.00 7.90 C ATOM 1793 CG1 VAL B 108 11.364 0.304 38.272 1.00 7.99 C ATOM 1794 CG2 VAL B 108 12.540 0.216 40.501 1.00 9.11 C ATOM 0 H VAL B 108 9.903 0.426 41.374 1.00 7.08 H new ATOM 0 HA VAL B 108 9.814 -1.494 39.452 1.00 7.10 H new ATOM 0 HB VAL B 108 12.182 -1.322 39.214 1.00 7.90 H new ATOM 0 HG11 VAL B 108 12.194 0.615 37.878 1.00 7.99 H new ATOM 0 HG12 VAL B 108 10.876 -0.226 37.622 1.00 7.99 H new ATOM 0 HG13 VAL B 108 10.826 1.067 38.536 1.00 7.99 H new ATOM 0 HG21 VAL B 108 13.354 0.514 40.065 1.00 9.11 H new ATOM 0 HG22 VAL B 108 12.051 0.985 40.833 1.00 9.11 H new ATOM 0 HG23 VAL B 108 12.766 -0.368 41.242 1.00 9.11 H new ATOM 1795 N ALA B 109 10.782 -3.302 40.879 1.00 6.49 N ATOM 1796 CA ALA B 109 11.301 -4.318 41.812 1.00 6.02 C ATOM 1797 C ALA B 109 12.809 -4.330 41.679 1.00 6.06 C ATOM 1798 O ALA B 109 13.343 -4.314 40.565 1.00 6.49 O ATOM 1799 CB ALA B 109 10.746 -5.718 41.483 1.00 5.65 C ATOM 0 H ALA B 109 10.575 -3.602 40.100 1.00 6.49 H new ATOM 0 HA ALA B 109 11.026 -4.099 42.716 1.00 6.02 H new ATOM 0 HB1 ALA B 109 11.104 -6.364 42.112 1.00 5.65 H new ATOM 0 HB2 ALA B 109 9.778 -5.706 41.548 1.00 5.65 H new ATOM 0 HB3 ALA B 109 11.006 -5.966 40.582 1.00 5.65 H new ATOM 1800 N CYS B 110 13.496 -4.368 42.818 1.00 6.35 N ATOM 1801 CA CYS B 110 14.963 -4.377 42.834 1.00 6.62 C ATOM 1802 C CYS B 110 15.515 -5.652 43.431 1.00 6.77 C ATOM 1803 O CYS B 110 14.983 -6.168 44.404 1.00 6.84 O ATOM 1804 CB CYS B 110 15.494 -3.189 43.628 1.00 6.53 C ATOM 1805 SG CYS B 110 14.966 -1.624 42.939 1.00 8.44 S ATOM 0 H CYS B 110 13.132 -4.389 43.597 1.00 6.35 H new ATOM 0 HA CYS B 110 15.255 -4.318 41.911 1.00 6.62 H new ATOM 0 HB2 CYS B 110 15.190 -3.255 44.547 1.00 6.53 H new ATOM 0 HB3 CYS B 110 16.463 -3.222 43.646 1.00 6.53 H new ATOM 1806 N GLU B 111 16.608 -6.140 42.856 1.00 6.48 N ATOM 1807 CA GLU B 111 17.186 -7.394 43.311 1.00 7.62 C ATOM 1808 C GLU B 111 18.608 -7.521 42.832 1.00 7.22 C ATOM 1809 O GLU B 111 18.987 -6.937 41.813 1.00 7.16 O ATOM 1810 CB GLU B 111 16.335 -8.550 42.772 1.00 7.80 C ATOM 1811 CG GLU B 111 16.514 -9.912 43.460 1.00 10.11 C ATOM 1812 CD GLU B 111 15.412 -10.887 43.086 1.00 11.30 C ATOM 1813 OE1 GLU B 111 14.766 -10.667 42.030 1.00 15.32 O ATOM 1814 OE2 GLU B 111 15.181 -11.862 43.840 1.00 14.47 O ATOM 0 H GLU B 111 17.026 -5.763 42.206 1.00 6.48 H new ATOM 0 HA GLU B 111 17.194 -7.418 44.281 1.00 7.62 H new ATOM 0 HB2 GLU B 111 15.401 -8.296 42.839 1.00 7.80 H new ATOM 0 HB3 GLU B 111 16.533 -8.658 41.829 1.00 7.80 H new ATOM 0 HG2 GLU B 111 17.374 -10.287 43.214 1.00 10.11 H new ATOM 0 HG3 GLU B 111 16.523 -9.789 44.422 1.00 10.11 H new ATOM 1815 N GLY B 112 19.376 -8.322 43.557 1.00 7.32 N ATOM 1816 CA GLY B 112 20.707 -8.726 43.118 1.00 7.11 C ATOM 1817 C GLY B 112 21.821 -7.834 43.604 1.00 7.82 C ATOM 1818 O GLY B 112 21.595 -6.863 44.318 1.00 8.17 O ATOM 0 H GLY B 112 19.142 -8.648 44.318 1.00 7.32 H new ATOM 0 HA2 GLY B 112 20.876 -9.631 43.424 1.00 7.11 H new ATOM 0 HA3 GLY B 112 20.723 -8.746 42.148 1.00 7.11 H new ATOM 1819 N ASN B 113 23.038 -8.194 43.207 1.00 8.72 N ATOM 1820 CA ASN B 113 24.232 -7.434 43.526 1.00 9.54 C ATOM 1821 C ASN B 113 24.994 -7.190 42.228 1.00 9.06 C ATOM 1822 O ASN B 113 25.595 -8.134 41.681 1.00 10.06 O ATOM 1823 CB ASN B 113 25.110 -8.202 44.506 1.00 10.79 C ATOM 1824 CG ASN B 113 26.234 -7.351 45.098 1.00 12.34 C ATOM 1825 OD1 ASN B 113 27.229 -7.894 45.589 1.00 15.93 O ATOM 1826 ND2 ASN B 113 26.058 -6.027 45.098 1.00 14.45 N ATOM 0 H ASN B 113 23.191 -8.898 42.738 1.00 8.72 H new ATOM 0 HA ASN B 113 23.987 -6.592 43.941 1.00 9.54 H new ATOM 0 HB2 ASN B 113 24.558 -8.545 45.226 1.00 10.79 H new ATOM 0 HB3 ASN B 113 25.496 -8.969 44.054 1.00 10.79 H new ATOM 0 HD21 ASN B 113 26.652 -5.514 45.450 1.00 14.45 H new ATOM 0 HD22 ASN B 113 25.351 -5.687 44.746 1.00 14.45 H new ATOM 1827 N PRO B 114 24.996 -5.939 41.730 1.00 8.08 N ATOM 1828 CA PRO B 114 24.433 -4.731 42.333 1.00 8.27 C ATOM 1829 C PRO B 114 22.910 -4.770 42.428 1.00 7.41 C ATOM 1830 O PRO B 114 22.243 -5.456 41.647 1.00 7.58 O ATOM 1831 CB PRO B 114 24.865 -3.617 41.378 1.00 8.80 C ATOM 1832 CG PRO B 114 25.056 -4.309 40.072 1.00 9.53 C ATOM 1833 CD PRO B 114 25.641 -5.643 40.436 1.00 8.35 C ATOM 0 HA PRO B 114 24.742 -4.616 43.245 1.00 8.27 H new ATOM 0 HB2 PRO B 114 24.191 -2.922 41.316 1.00 8.80 H new ATOM 0 HB3 PRO B 114 25.684 -3.192 41.677 1.00 8.80 H new ATOM 0 HG2 PRO B 114 24.215 -4.409 39.599 1.00 9.53 H new ATOM 0 HG3 PRO B 114 25.651 -3.809 39.491 1.00 9.53 H new ATOM 0 HD2 PRO B 114 25.439 -6.319 39.770 1.00 8.35 H new ATOM 0 HD3 PRO B 114 26.607 -5.603 40.516 1.00 8.35 H new ATOM 1834 N TYR B 115 22.375 -4.012 43.381 1.00 6.56 N ATOM 1835 CA TYR B 115 20.953 -4.047 43.696 1.00 6.49 C ATOM 1836 C TYR B 115 20.260 -3.081 42.755 1.00 6.69 C ATOM 1837 O TYR B 115 20.305 -1.866 42.940 1.00 8.11 O ATOM 1838 CB TYR B 115 20.791 -3.645 45.148 1.00 6.86 C ATOM 1839 CG TYR B 115 19.416 -3.811 45.740 1.00 5.50 C ATOM 1840 CD1 TYR B 115 18.873 -5.076 45.929 1.00 6.63 C ATOM 1841 CD2 TYR B 115 18.703 -2.712 46.194 1.00 5.38 C ATOM 1842 CE1 TYR B 115 17.638 -5.249 46.506 1.00 5.89 C ATOM 1843 CE2 TYR B 115 17.454 -2.870 46.788 1.00 6.62 C ATOM 1844 CZ TYR B 115 16.931 -4.144 46.949 1.00 6.79 C ATOM 1845 OH TYR B 115 15.705 -4.303 47.555 1.00 8.46 O ATOM 0 H TYR B 115 22.828 -3.463 43.863 1.00 6.56 H new ATOM 0 HA TYR B 115 20.562 -4.927 43.581 1.00 6.49 H new ATOM 0 HB2 TYR B 115 21.415 -4.164 45.679 1.00 6.86 H new ATOM 0 HB3 TYR B 115 21.050 -2.714 45.236 1.00 6.86 H new ATOM 0 HD1 TYR B 115 19.357 -5.823 45.659 1.00 6.63 H new ATOM 0 HD2 TYR B 115 19.063 -1.860 46.101 1.00 5.38 H new ATOM 0 HE1 TYR B 115 17.280 -6.102 46.598 1.00 5.89 H new ATOM 0 HE2 TYR B 115 16.974 -2.127 47.075 1.00 6.62 H new ATOM 0 HH TYR B 115 15.682 -5.043 47.952 1.00 8.46 H new ATOM 1846 N VAL B 116 19.637 -3.647 41.718 1.00 6.67 N ATOM 1847 CA VAL B 116 19.198 -2.858 40.566 1.00 6.82 C ATOM 1848 C VAL B 116 17.792 -3.259 40.147 1.00 6.76 C ATOM 1849 O VAL B 116 17.285 -4.289 40.600 1.00 6.24 O ATOM 1850 CB VAL B 116 20.156 -3.021 39.361 1.00 7.17 C ATOM 1851 CG1 VAL B 116 21.547 -2.461 39.683 1.00 7.62 C ATOM 1852 CG2 VAL B 116 20.271 -4.488 38.951 1.00 7.18 C ATOM 0 H VAL B 116 19.460 -4.487 41.663 1.00 6.67 H new ATOM 0 HA VAL B 116 19.204 -1.927 40.839 1.00 6.82 H new ATOM 0 HB VAL B 116 19.782 -2.517 38.621 1.00 7.17 H new ATOM 0 HG11 VAL B 116 22.128 -2.575 38.914 1.00 7.62 H new ATOM 0 HG12 VAL B 116 21.475 -1.518 39.897 1.00 7.62 H new ATOM 0 HG13 VAL B 116 21.920 -2.936 40.442 1.00 7.62 H new ATOM 0 HG21 VAL B 116 20.875 -4.567 38.196 1.00 7.18 H new ATOM 0 HG22 VAL B 116 20.615 -5.006 39.695 1.00 7.18 H new ATOM 0 HG23 VAL B 116 19.396 -4.824 38.701 1.00 7.18 H new ATOM 1853 N PRO B 117 17.134 -2.444 39.305 1.00 6.99 N ATOM 1854 CA PRO B 117 15.785 -2.836 38.866 1.00 7.28 C ATOM 1855 C PRO B 117 15.765 -4.101 38.028 1.00 7.40 C ATOM 1856 O PRO B 117 16.587 -4.270 37.128 1.00 7.60 O ATOM 1857 CB PRO B 117 15.329 -1.636 38.024 1.00 7.53 C ATOM 1858 CG PRO B 117 16.155 -0.484 38.568 1.00 7.58 C ATOM 1859 CD PRO B 117 17.504 -1.100 38.811 1.00 7.70 C ATOM 0 HA PRO B 117 15.213 -3.038 39.623 1.00 7.28 H new ATOM 0 HB2 PRO B 117 15.495 -1.779 37.079 1.00 7.53 H new ATOM 0 HB3 PRO B 117 14.378 -1.471 38.123 1.00 7.53 H new ATOM 0 HG2 PRO B 117 16.206 0.249 37.934 1.00 7.58 H new ATOM 0 HG3 PRO B 117 15.774 -0.126 39.385 1.00 7.58 H new ATOM 0 HD2 PRO B 117 18.036 -1.143 38.001 1.00 7.70 H new ATOM 0 HD3 PRO B 117 18.020 -0.601 39.463 1.00 7.70 H new ATOM 1860 N VAL B 118 14.815 -4.981 38.338 1.00 7.67 N ATOM 1861 CA VAL B 118 14.661 -6.224 37.593 1.00 7.87 C ATOM 1862 C VAL B 118 13.243 -6.396 37.060 1.00 7.89 C ATOM 1863 O VAL B 118 12.981 -7.348 36.344 1.00 8.90 O ATOM 1864 CB VAL B 118 15.062 -7.474 38.436 1.00 7.71 C ATOM 1865 CG1 VAL B 118 16.556 -7.484 38.730 1.00 9.26 C ATOM 1866 CG2 VAL B 118 14.239 -7.578 39.731 1.00 8.55 C ATOM 0 H VAL B 118 14.250 -4.875 38.977 1.00 7.67 H new ATOM 0 HA VAL B 118 15.269 -6.158 36.840 1.00 7.87 H new ATOM 0 HB VAL B 118 14.858 -8.258 37.902 1.00 7.71 H new ATOM 0 HG11 VAL B 118 16.778 -8.270 39.254 1.00 9.26 H new ATOM 0 HG12 VAL B 118 17.050 -7.502 37.895 1.00 9.26 H new ATOM 0 HG13 VAL B 118 16.793 -6.686 39.228 1.00 9.26 H new ATOM 0 HG21 VAL B 118 14.515 -8.364 40.228 1.00 8.55 H new ATOM 0 HG22 VAL B 118 14.385 -6.786 40.272 1.00 8.55 H new ATOM 0 HG23 VAL B 118 13.297 -7.649 39.511 1.00 8.55 H new ATOM 1867 N HIS B 119 12.338 -5.476 37.408 1.00 7.30 N ATOM 1868 CA HIS B 119 10.938 -5.534 36.954 1.00 8.15 C ATOM 1869 C HIS B 119 10.330 -4.160 37.032 1.00 7.45 C ATOM 1870 O HIS B 119 10.598 -3.408 37.969 1.00 8.28 O ATOM 1871 CB HIS B 119 10.131 -6.525 37.820 1.00 9.20 C ATOM 1872 CG HIS B 119 8.662 -6.554 37.541 1.00 13.92 C ATOM 1873 ND1 HIS B 119 7.726 -6.008 38.401 1.00 18.46 N ATOM 1874 CD2 HIS B 119 7.965 -7.089 36.515 1.00 16.54 C ATOM 1875 CE1 HIS B 119 6.520 -6.186 37.896 1.00 17.68 C ATOM 1876 NE2 HIS B 119 6.635 -6.839 36.754 1.00 18.62 N ATOM 0 H HIS B 119 12.515 -4.802 37.912 1.00 7.30 H new ATOM 0 HA HIS B 119 10.914 -5.844 36.035 1.00 8.15 H new ATOM 0 HB2 HIS B 119 10.490 -7.416 37.687 1.00 9.20 H new ATOM 0 HB3 HIS B 119 10.265 -6.301 38.754 1.00 9.20 H new ATOM 0 HD2 HIS B 119 8.319 -7.542 35.784 1.00 16.54 H new ATOM 0 HE1 HIS B 119 5.723 -5.900 38.280 1.00 17.68 H new ATOM 0 HE2 HIS B 119 5.983 -7.070 36.243 1.00 18.62 H new ATOM 1877 N PHE B 120 9.529 -3.820 36.034 1.00 7.38 N ATOM 1878 CA PHE B 120 8.809 -2.578 36.059 1.00 6.92 C ATOM 1879 C PHE B 120 7.417 -2.886 36.575 1.00 6.88 C ATOM 1880 O PHE B 120 6.663 -3.641 35.945 1.00 7.83 O ATOM 1881 CB PHE B 120 8.732 -1.959 34.661 1.00 7.70 C ATOM 1882 CG PHE B 120 8.195 -0.565 34.666 1.00 6.49 C ATOM 1883 CD1 PHE B 120 6.828 -0.336 34.578 1.00 7.30 C ATOM 1884 CD2 PHE B 120 9.062 0.524 34.781 1.00 8.25 C ATOM 1885 CE1 PHE B 120 6.333 0.949 34.594 1.00 8.47 C ATOM 1886 CE2 PHE B 120 8.584 1.823 34.803 1.00 10.22 C ATOM 1887 CZ PHE B 120 7.215 2.037 34.715 1.00 9.04 C ATOM 0 H PHE B 120 9.394 -4.302 35.334 1.00 7.38 H new ATOM 0 HA PHE B 120 9.260 -1.936 36.630 1.00 6.92 H new ATOM 0 HB2 PHE B 120 9.617 -1.957 34.265 1.00 7.70 H new ATOM 0 HB3 PHE B 120 8.170 -2.514 34.098 1.00 7.70 H new ATOM 0 HD1 PHE B 120 6.243 -1.055 34.508 1.00 7.30 H new ATOM 0 HD2 PHE B 120 9.978 0.374 34.844 1.00 8.25 H new ATOM 0 HE1 PHE B 120 5.417 1.097 34.525 1.00 8.47 H new ATOM 0 HE2 PHE B 120 9.171 2.541 34.876 1.00 10.22 H new ATOM 0 HZ PHE B 120 6.880 2.904 34.736 1.00 9.04 H new ATOM 1888 N ASP B 121 7.075 -2.318 37.721 1.00 5.95 N ATOM 1889 CA ASP B 121 5.787 -2.669 38.344 1.00 5.94 C ATOM 1890 C ASP B 121 4.643 -1.758 37.918 1.00 6.26 C ATOM 1891 O ASP B 121 3.557 -2.239 37.632 1.00 7.69 O ATOM 1892 CB ASP B 121 5.899 -2.688 39.873 1.00 6.51 C ATOM 1893 CG ASP B 121 4.970 -3.703 40.511 1.00 6.73 C ATOM 1894 OD1 ASP B 121 4.955 -4.865 40.059 1.00 9.45 O ATOM 1895 OD2 ASP B 121 4.265 -3.337 41.472 1.00 9.45 O ATOM 0 H ASP B 121 7.550 -1.744 38.150 1.00 5.95 H new ATOM 0 HA ASP B 121 5.575 -3.560 38.025 1.00 5.94 H new ATOM 0 HB2 ASP B 121 6.814 -2.888 40.125 1.00 6.51 H new ATOM 0 HB3 ASP B 121 5.696 -1.805 40.220 1.00 6.51 H new ATOM 1896 N ALA B 122 4.893 -0.452 37.857 1.00 6.29 N ATOM 1897 CA ALA B 122 3.837 0.513 37.570 1.00 6.67 C ATOM 1898 C ALA B 122 4.435 1.891 37.451 1.00 7.18 C ATOM 1899 O ALA B 122 5.567 2.119 37.864 1.00 6.65 O ATOM 1900 CB ALA B 122 2.802 0.516 38.698 1.00 7.42 C ATOM 0 H ALA B 122 5.670 -0.104 37.979 1.00 6.29 H new ATOM 0 HA ALA B 122 3.404 0.265 36.738 1.00 6.67 H new ATOM 0 HB1 ALA B 122 2.106 1.160 38.497 1.00 7.42 H new ATOM 0 HB2 ALA B 122 2.410 -0.368 38.780 1.00 7.42 H new ATOM 0 HB3 ALA B 122 3.233 0.757 39.533 1.00 7.42 H new ATOM 1901 N SER B 123 3.669 2.806 36.871 1.00 8.14 N ATOM 1902 CA SER B 123 3.911 4.238 37.059 1.00 8.89 C ATOM 1903 C SER B 123 2.708 4.832 37.759 1.00 9.52 C ATOM 1904 O SER B 123 1.566 4.401 37.512 1.00 10.11 O ATOM 1905 CB SER B 123 4.210 4.957 35.743 1.00 9.25 C ATOM 1906 OG SER B 123 3.087 4.991 34.896 1.00 12.38 O ATOM 0 H SER B 123 3.001 2.621 36.362 1.00 8.14 H new ATOM 0 HA SER B 123 4.704 4.357 37.605 1.00 8.89 H new ATOM 0 HB2 SER B 123 4.502 5.863 35.929 1.00 9.25 H new ATOM 0 HB3 SER B 123 4.943 4.511 35.290 1.00 9.25 H new ATOM 0 HG SER B 123 3.159 4.393 34.311 1.00 12.38 H new ATOM 1907 N VAL B 124 2.957 5.799 38.638 1.00 9.55 N ATOM 1908 CA VAL B 124 1.896 6.432 39.427 1.00 10.23 C ATOM 1909 C VAL B 124 2.037 7.952 39.453 1.00 10.49 C ATOM 1910 O VAL B 124 3.114 8.504 39.258 1.00 10.91 O ATOM 1911 CB VAL B 124 1.842 5.882 40.883 1.00 10.79 C ATOM 1912 CG1 VAL B 124 1.492 4.412 40.882 1.00 11.79 C ATOM 1913 CG2 VAL B 124 3.162 6.129 41.610 1.00 10.62 C ATOM 1914 OXT VAL B 124 1.065 8.665 39.692 1.00 11.46 O ATOM 0 H VAL B 124 3.744 6.108 38.796 1.00 9.55 H new ATOM 0 HA VAL B 124 1.062 6.207 38.985 1.00 10.23 H new ATOM 0 HB VAL B 124 1.146 6.359 41.362 1.00 10.79 H new ATOM 0 HG11 VAL B 124 1.463 4.086 41.795 1.00 11.79 H new ATOM 0 HG12 VAL B 124 0.625 4.286 40.466 1.00 11.79 H new ATOM 0 HG13 VAL B 124 2.164 3.920 40.385 1.00 11.79 H new ATOM 0 HG21 VAL B 124 3.105 5.779 42.513 1.00 10.62 H new ATOM 0 HG22 VAL B 124 3.881 5.683 41.136 1.00 10.62 H new ATOM 0 HG23 VAL B 124 3.340 7.082 41.644 1.00 10.62 H new TER 1915 VAL B 124 HETATM 1916 O HOH A 125 34.662 -1.148 10.827 1.00 13.96 O HETATM 1917 O HOH A 126 31.102 7.731 26.092 1.00 9.41 O HETATM 1918 O HOH A 127 34.930 -5.618 -3.240 1.00 18.19 O HETATM 1919 O HOH A 128 37.401 -0.506 21.245 1.00 11.68 O HETATM 1920 O HOH A 129 32.076 -6.959 25.104 1.00 9.41 O HETATM 1921 O HOH A 130 33.010 -5.003 21.915 1.00 8.42 O HETATM 1922 O HOH A 131 33.985 8.673 14.036 1.00 15.79 O HETATM 1923 O HOH A 132 24.894 10.485 13.824 1.00 15.26 O HETATM 1924 O HOH A 133 17.873 0.031 16.657 1.00 15.23 O HETATM 1925 O HOH A 134 33.912 6.133 12.512 1.00 17.01 O HETATM 1926 O HOH A 135 27.191 8.936 13.991 1.00 12.38 O HETATM 1927 O HOH A 136 41.116 -1.326 9.719 1.00 26.31 O HETATM 1928 O HOH A 137 27.115 14.281 19.457 1.00 17.60 O HETATM 1929 O HOH A 138 16.319 1.153 20.843 1.00 25.46 O HETATM 1930 O HOH A 139 16.727 0.131 9.443 1.00 17.75 O HETATM 1931 O HOH A 140 34.633 5.958 21.948 1.00 14.96 O HETATM 1932 O HOH A 141 35.263 2.786 13.574 1.00 18.62 O HETATM 1933 O HOH A 142 50.310 -7.117 0.237 0.50 36.00 O HETATM 1934 O HOH A 143 34.908 -9.598 3.772 1.00 20.53 O HETATM 1935 O HOH A 144 30.528 14.027 16.975 1.00 16.85 O HETATM 1936 O HOH A 145 18.563 -1.043 26.657 1.00 16.70 O HETATM 1937 O HOH A 146 35.661 3.561 23.156 1.00 13.16 O HETATM 1938 O HOH A 147 22.261 8.066 19.085 1.00 19.27 O HETATM 1939 O HOH A 148 26.483 13.376 11.146 1.00 46.00 O HETATM 1940 O HOH A 149 17.593 5.291 21.917 1.00 31.96 O HETATM 1941 O HOH A 150 29.034 -3.445 -9.012 1.00 27.16 O HETATM 1942 O HOH A 151 20.349 6.262 21.456 1.00 21.95 O HETATM 1943 O HOH A 152 17.269 6.733 17.031 1.00 20.90 O HETATM 1944 O HOH A 153 29.856 6.367 -1.226 1.00 28.31 O HETATM 1945 O HOH A 154 36.443 0.863 11.687 1.00 22.44 O HETATM 1946 O HOH A 155 25.225 0.519 31.526 1.00 17.09 O HETATM 1947 O HOH A 156 20.971 16.739 22.556 1.00 42.07 O HETATM 1948 O HOH A 157 29.350 12.238 7.050 1.00 22.85 O HETATM 1949 O HOH A 158 17.037 7.818 9.968 1.00 26.24 O HETATM 1950 O HOH A 159 30.289 4.240 29.621 1.00 21.00 O HETATM 1951 O HOH A 160 22.224 -8.551 21.140 1.00 24.01 O HETATM 1952 O HOH A 161 46.703 -1.456 4.194 1.00 25.52 O HETATM 1953 O HOH A 162 33.820 15.715 16.718 1.00 24.15 O HETATM 1954 O HOH A 163 29.013 -14.332 17.591 1.00 30.33 O HETATM 1955 O HOH A 164 39.773 6.782 -0.908 1.00 32.80 O HETATM 1956 O HOH A 165 21.380 8.650 22.459 1.00 26.11 O HETATM 1957 O HOH A 166 39.124 0.451 -3.177 1.00 25.64 O HETATM 1958 O HOH A 167 29.423 12.716 19.294 1.00 16.66 O HETATM 1959 O HOH A 168 29.164 16.595 22.631 1.00 25.18 O HETATM 1960 O HOH A 169 25.952 7.697 5.370 1.00 31.47 O HETATM 1961 O HOH A 170 40.629 1.290 28.159 1.00 21.70 O HETATM 1962 O HOH A 171 32.398 4.243 33.027 1.00 26.54 O HETATM 1963 O HOH A 172 17.848 -6.068 9.211 1.00 27.07 O HETATM 1964 O HOH A 173 18.289 -3.434 17.920 1.00 24.20 O HETATM 1965 O HOH A 174 18.112 1.095 5.441 1.00 32.92 O HETATM 1966 O HOH A 175 34.066 -7.993 14.793 1.00 28.10 O HETATM 1967 O HOH A 176 33.377 -9.912 16.399 1.00 28.49 O HETATM 1968 O HOH A 177 23.216 -11.268 4.810 1.00 35.89 O HETATM 1969 O HOH A 178 38.010 -7.604 -4.897 1.00 30.42 O HETATM 1970 O HOH A 179 18.883 -8.594 5.662 1.00 33.48 O HETATM 1971 O HOH A 180 38.671 8.567 6.761 1.00 36.07 O HETATM 1972 O HOH A 181 24.673 -13.611 8.306 1.00 29.78 O HETATM 1973 O HOH A 182 21.971 6.716 7.165 1.00 23.94 O HETATM 1974 O HOH A 183 34.305 -9.380 -3.113 1.00 23.13 O HETATM 1975 O HOH A 184 37.578 -2.159 17.527 1.00 22.56 O HETATM 1976 O HOH A 185 30.552 -10.473 7.036 1.00 32.54 O HETATM 1977 O HOH A 186 30.341 17.367 10.412 1.00 23.09 O HETATM 1978 O HOH A 187 19.218 -8.275 9.933 1.00 23.48 O HETATM 1979 O HOH A 188 37.445 1.353 -6.619 1.00 37.88 O HETATM 1980 O HOH A 189 18.387 9.299 16.775 1.00 25.66 O HETATM 1981 O HOH A 190 26.775 -14.187 14.240 1.00 31.45 O HETATM 1982 O HOH A 191 33.253 21.084 7.261 1.00 29.89 O HETATM 1983 O HOH A 192 36.476 12.488 3.707 1.00 34.78 O HETATM 1984 O HOH A 193 16.536 -7.827 12.481 1.00 37.89 O HETATM 1985 O HOH A 194 24.228 -12.375 15.327 1.00 33.81 O HETATM 1986 O HOH A 195 30.489 -10.586 -2.150 1.00 33.28 O HETATM 1987 O HOH A 196 19.856 -12.788 17.203 1.00 36.69 O HETATM 1988 O HOH A 197 27.563 -14.122 5.390 1.00 35.54 O HETATM 1989 O HOH A 198 43.374 -8.160 -5.087 1.00 41.97 O HETATM 1990 O HOH A 199 24.873 -5.005 29.659 1.00 25.49 O HETATM 1991 O HOH A 200 23.137 -10.805 0.401 1.00 34.24 O HETATM 1992 O HOH A 201 34.689 -3.589 11.149 1.00 23.77 O HETATM 1993 O HOH A 202 23.962 5.952 4.554 1.00 19.30 O HETATM 1994 O HOH A 203 24.272 8.102 7.513 1.00 24.55 O HETATM 1995 O HOH A 204 35.536 -4.382 -8.079 1.00 39.29 O HETATM 1996 O HOH A 205 33.936 11.418 19.608 1.00 26.54 O HETATM 1997 O HOH A 206 43.658 5.050 -3.302 1.00 32.49 O HETATM 1998 O HOH A 207 27.960 16.940 19.840 1.00 37.80 O HETATM 1999 O HOH A 208 49.730 8.555 0.523 0.50 24.12 O HETATM 2000 O HOH A 209 30.400 -1.618 29.439 1.00 33.25 O HETATM 2001 O HOH A 210 26.911 -3.138 -5.110 1.00 33.14 O HETATM 2002 O HOH A 211 24.079 -13.566 13.108 1.00 31.83 O HETATM 2003 O HOH A 212 27.929 -6.429 29.408 1.00 27.98 O HETATM 2004 O HOH A 213 25.911 -10.881 -1.340 1.00 38.88 O HETATM 2005 O HOH A 214 41.025 2.419 -3.731 1.00 40.51 O HETATM 2006 O HOH A 215 43.144 0.043 25.015 1.00 32.00 O HETATM 2007 O HOH A 216 24.728 4.191 28.687 1.00 30.03 O HETATM 2008 O HOH A 217 18.341 -2.814 -1.755 1.00 42.16 O HETATM 2009 O HOH A 218 21.389 12.697 13.183 1.00 24.48 O HETATM 2010 O HOH A 219 36.526 22.180 7.354 1.00 30.59 O HETATM 2011 O HOH A 220 42.684 5.126 4.569 1.00 37.56 O HETATM 2012 O HOH A 221 15.170 -0.862 1.865 1.00 48.34 O HETATM 2013 O HOH A 222 37.533 13.535 10.181 1.00 33.96 O HETATM 2014 O HOH A 223 17.142 2.469 21.634 1.00 25.70 O HETATM 2015 O HOH A 224 17.964 -4.677 5.923 1.00 56.16 O HETATM 2016 O HOH A 225 45.398 -5.505 5.070 1.00 32.12 O HETATM 2017 O HOH A 226 34.642 4.439 -5.910 1.00 34.72 O HETATM 2018 O HOH A 227 35.970 23.873 9.976 1.00 37.57 O HETATM 2019 O HOH A 228 25.116 -12.929 3.671 1.00 34.77 O HETATM 2020 O HOH A 229 31.934 -6.378 11.558 1.00 31.89 O HETATM 2021 O HOH A 230 22.131 1.583 27.321 1.00 28.99 O HETATM 2022 O HOH A 231 40.588 -1.909 -6.467 1.00 32.64 O HETATM 2023 O HOH A 232 18.373 10.488 12.774 1.00 33.28 O HETATM 2024 O HOH A 233 36.563 -1.931 14.630 1.00 34.76 O HETATM 2025 O HOH A 234 16.202 -3.464 11.143 1.00 41.33 O HETATM 2026 O HOH A 235 36.701 12.560 14.351 1.00 31.60 O HETATM 2027 O HOH A 236 45.838 -3.956 -6.033 1.00 34.22 O HETATM 2028 O HOH A 237 31.508 13.716 6.378 1.00 31.02 O HETATM 2029 O HOH A 238 34.728 -5.346 13.075 1.00 33.19 O HETATM 2030 O HOH A 239 17.817 -12.817 13.352 1.00 54.12 O HETATM 2031 O HOH A 240 27.806 18.625 23.453 1.00 25.63 O HETATM 2032 O HOH A 241 28.348 1.176 -4.491 1.00 42.94 O HETATM 2033 O HOH A 242 27.671 16.100 13.283 1.00 33.53 O HETATM 2034 O HOH A 243 41.956 1.089 10.424 1.00 34.71 O HETATM 2035 O HOH A 244 39.503 11.687 9.810 1.00 32.95 O HETATM 2036 O HOH A 245 28.685 -3.333 30.670 1.00 42.79 O HETATM 2037 O HOH A 246 44.653 -11.832 -2.507 1.00 35.79 O HETATM 2038 O HOH A 247 38.812 3.612 17.392 1.00 33.14 O HETATM 2039 O HOH A 248 22.812 4.589 26.819 1.00 29.33 O HETATM 2040 O HOH A 249 31.556 -11.538 13.568 1.00 25.47 O HETATM 2041 O HOH A 250 47.916 0.212 2.269 1.00 25.89 O HETATM 2042 O HOH A 251 25.658 3.255 -1.294 1.00 49.25 O HETATM 2043 O HOH A 252 43.164 -11.372 -4.624 1.00 45.70 O HETATM 2044 O HOH A 253 20.266 9.947 18.724 1.00 31.56 O HETATM 2045 O HOH A 254 28.749 15.793 16.443 1.00 28.34 O HETATM 2046 O HOH A 255 48.339 -1.651 0.259 1.00 38.68 O HETATM 2047 O HOH A 256 30.291 3.108 -4.458 1.00 39.18 O HETATM 2048 O HOH A 257 17.230 -10.052 15.268 1.00 31.97 O HETATM 2049 O HOH A 258 36.265 10.040 15.169 1.00 26.37 O HETATM 2050 O HOH A 259 22.194 13.638 15.765 1.00 23.13 O HETATM 2051 O HOH A 260 24.782 12.933 15.172 1.00 19.42 O HETATM 2052 O HOH A 261 26.234 14.673 16.856 1.00 19.65 O HETATM 2053 O HOH A 262 17.460 4.621 3.293 1.00 30.53 O HETATM 2054 O HOH A 263 16.863 3.372 5.715 1.00 28.84 O HETATM 2055 O HOH A 264 20.607 12.533 17.730 1.00 30.67 O HETATM 2056 O HOH A 265 24.486 16.835 16.550 1.00 27.84 O HETATM 2057 O HOH A 266 17.577 6.689 19.826 1.00 26.92 O HETATM 2058 O HOH A 267 22.273 -4.918 29.810 1.00 17.51 O HETATM 2059 O HOH A 268 23.601 1.643 29.481 1.00 23.04 O HETATM 2060 O HOH A 269 28.854 -9.505 22.756 1.00 14.07 O HETATM 2061 O HOH A 270 29.017 -12.057 21.733 1.00 20.71 O HETATM 2062 O HOH A 271 33.827 -9.342 19.070 1.00 22.23 O HETATM 2063 O HOH A 272 33.414 -7.614 21.173 1.00 11.03 O HETATM 2064 O HOH A 273 40.699 -6.555 22.605 1.00 22.92 O HETATM 2065 O HOH A 274 39.858 -8.028 20.533 1.00 31.04 O HETATM 2066 O HOH A 275 36.342 2.078 21.075 1.00 14.85 O HETATM 2067 O HOH A 276 39.556 -0.886 19.529 1.00 26.97 O HETATM 2068 O HOH A 277 34.757 -1.692 33.549 1.00 20.81 O HETATM 2069 O HOH A 278 34.999 4.638 33.538 1.00 33.40 O HETATM 2070 O HOH A 279 36.566 0.243 33.635 1.00 23.86 O HETATM 2071 O HOH A 280 37.262 1.316 31.257 1.00 25.63 O HETATM 2072 O HOH A 281 35.553 5.932 25.851 1.00 16.87 O HETATM 2073 O HOH A 282 47.152 -12.900 -2.592 1.00 37.57 O HETATM 2074 O HOH A 283 44.818 5.346 -8.703 1.00 43.67 O HETATM 2075 O HOH A 284 36.616 -10.167 -4.108 1.00 32.73 O HETATM 2076 O HOH A 285 21.465 -12.195 26.363 1.00 28.49 O HETATM 2077 O HOH A 286 21.884 -9.666 27.663 1.00 18.33 O HETATM 2078 O HOH A 287 35.723 4.979 13.915 1.00 20.85 O HETATM 2079 O HOH A 288 31.581 -13.544 17.982 1.00 33.53 O HETATM 2080 O HOH A 289 21.868 12.190 24.199 1.00 24.98 O HETATM 2081 O HOH A 290 14.213 4.498 10.847 1.00 32.54 O HETATM 2082 O HOH A 291 36.814 18.066 7.979 1.00 44.28 O HETATM 2083 O HOH A 292 33.717 18.523 6.424 1.00 34.31 O HETATM 2084 O HOH A 293 31.217 16.443 7.588 1.00 50.10 O HETATM 2085 O HOH A 294 25.481 14.687 13.208 1.00 26.88 O HETATM 2086 O HOH A 295 27.528 16.975 10.583 1.00 35.32 O HETATM 2087 O HOH A 296 36.465 8.707 20.191 1.00 26.20 O HETATM 2088 O HOH A 297 35.851 9.831 17.812 1.00 30.29 O HETATM 2089 O HOH A 298 36.041 13.043 19.068 1.00 27.58 O HETATM 2090 O HOH A 299 38.404 5.838 14.343 1.00 36.08 O HETATM 2091 O HOH A 300 38.305 3.843 12.444 1.00 38.62 O HETATM 2092 O HOH A 301 28.753 -1.308 -5.421 1.00 37.21 O HETATM 2093 O HOH A 302 26.019 -3.481 -7.871 1.00 39.57 O HETATM 2094 O HOH A 303 35.423 2.616 -7.762 1.00 35.92 O HETATM 2095 O HOH A 304 40.833 5.714 6.763 1.00 37.95 O HETATM 2096 O HOH A 305 47.783 -1.643 6.795 1.00 32.03 O HETATM 2097 O HOH A 306 45.815 -1.738 11.010 1.00 54.85 O HETATM 2098 O HOH A 307 43.028 -7.920 7.557 1.00 44.26 O HETATM 2099 O HOH A 308 44.170 -6.133 9.435 1.00 46.52 O HETATM 2100 O HOH A 309 32.330 -6.748 9.315 1.00 30.66 O HETATM 2101 O HOH A 310 23.071 12.894 10.795 1.00 26.02 O HETATM 2102 O HOH A 311 32.762 -0.852 35.184 1.00 32.63 O HETATM 2103 O HOH A 312 38.442 3.711 19.982 1.00 29.96 O HETATM 2104 O HOH A 313 26.470 -9.338 28.843 1.00 39.17 O HETATM 2105 O HOH A 314 27.217 -11.608 29.172 1.00 27.52 O HETATM 2106 O HOH A 315 25.428 -11.548 22.323 1.00 31.11 O HETATM 2107 O HOH A 316 18.527 -5.636 -1.681 1.00 60.29 O HETATM 2108 O HOH A 317 35.188 1.144 18.671 1.00 14.76 O HETATM 2109 O HOH A 318 36.858 1.473 16.579 1.00 25.84 O HETATM 2110 O HOH A 319 31.399 -3.658 30.699 1.00 24.48 O HETATM 2111 O HOH A 320 18.225 -0.188 2.497 1.00 52.94 O HETATM 2112 O HOH A 321 30.963 22.758 9.789 1.00 43.01 O HETATM 2113 O HOH B 125 13.287 9.740 41.939 1.00 11.96 O HETATM 2114 O HOH B 126 22.350 -10.557 30.321 1.00 19.19 O HETATM 2115 O HOH B 127 19.969 -8.078 39.433 1.00 14.39 O HETATM 2116 O HOH B 128 18.288 -3.150 35.320 1.00 9.91 O HETATM 2117 O HOH B 129 18.593 8.025 45.353 1.00 16.98 O HETATM 2118 O HOH B 130 17.978 11.346 34.223 1.00 15.78 O HETATM 2119 O HOH B 131 19.893 -7.946 27.072 1.00 16.00 O HETATM 2120 O HOH B 132 15.452 -8.095 46.393 1.00 10.83 O HETATM 2121 O HOH B 133 -3.694 1.945 22.758 1.00 19.20 O HETATM 2122 O HOH B 134 22.777 10.517 35.643 1.00 23.98 O HETATM 2123 O HOH B 135 2.599 0.109 34.147 1.00 54.64 O HETATM 2124 O HOH B 136 17.796 7.519 49.422 1.00 11.75 O HETATM 2125 O HOH B 137 20.065 -5.270 28.185 1.00 13.98 O HETATM 2126 O HOH B 138 9.377 -5.687 33.818 1.00 16.97 O HETATM 2127 O HOH B 139 20.839 -2.244 35.515 1.00 10.97 O HETATM 2128 O HOH B 140 21.497 9.219 40.290 1.00 24.34 O HETATM 2129 O HOH B 141 13.109 -4.544 49.900 1.00 17.61 O HETATM 2130 O HOH B 142 17.631 -0.063 49.267 1.00 24.96 O HETATM 2131 O HOH B 143 13.499 -8.144 33.863 1.00 16.61 O HETATM 2132 O HOH B 144 16.710 8.861 41.070 1.00 14.01 O HETATM 2133 O HOH B 145 11.783 -9.394 42.186 1.00 16.41 O HETATM 2134 O HOH B 146 11.385 3.519 52.197 1.00 18.62 O HETATM 2135 O HOH B 147 4.840 -7.373 41.106 1.00 15.38 O HETATM 2136 O HOH B 148 5.249 2.042 51.346 1.00 23.05 O HETATM 2137 O HOH B 149 15.445 11.042 37.324 1.00 15.14 O HETATM 2138 O HOH B 150 2.564 -4.745 36.716 1.00 36.19 O HETATM 2139 O HOH B 151 20.215 2.445 44.388 1.00 24.45 O HETATM 2140 O HOH B 152 22.622 -7.489 39.763 1.00 16.05 O HETATM 2141 O HOH B 153 7.958 11.931 46.504 1.00 17.69 O HETATM 2142 O HOH B 154 0.868 6.680 18.647 1.00 27.82 O HETATM 2143 O HOH B 155 9.043 -8.791 43.083 1.00 17.00 O HETATM 2144 O HOH B 156 24.159 -3.484 45.904 1.00 19.84 O HETATM 2145 O HOH B 157 21.820 -4.883 32.422 1.00 18.73 O HETATM 2146 O HOH B 158 11.893 -6.192 32.644 1.00 15.81 O HETATM 2147 O HOH B 159 15.341 13.327 41.094 1.00 15.42 O HETATM 2148 O HOH B 160 -0.391 4.749 24.981 1.00 18.61 O HETATM 2149 O HOH B 161 10.963 -9.786 25.812 1.00 25.96 O HETATM 2150 O HOH B 162 22.640 5.336 40.509 1.00 19.27 O HETATM 2151 O HOH B 163 10.352 -7.140 17.844 1.00 30.04 O HETATM 2152 O HOH B 164 20.833 6.583 46.629 1.00 27.53 O HETATM 2153 O HOH B 165 7.943 12.166 28.636 1.00 25.24 O HETATM 2154 O HOH B 166 24.820 3.235 35.678 1.00 23.91 O HETATM 2155 O HOH B 167 3.689 4.026 18.008 1.00 25.18 O HETATM 2156 O HOH B 168 13.406 12.944 36.977 1.00 16.34 O HETATM 2157 O HOH B 169 13.981 -1.027 51.787 1.00 26.89 O HETATM 2158 O HOH B 170 1.458 -6.471 28.580 1.00 17.46 O HETATM 2159 O HOH B 171 20.145 -9.523 37.020 1.00 17.90 O HETATM 2160 O HOH B 172 9.550 15.305 40.659 1.00 23.45 O HETATM 2161 O HOH B 173 15.125 2.794 50.646 1.00 31.08 O HETATM 2162 O HOH B 174 -0.291 5.960 36.149 0.50 35.10 O HETATM 2163 O HOH B 175 7.605 -7.759 41.000 1.00 19.83 O HETATM 2164 O HOH B 176 3.638 2.950 33.070 1.00 29.69 O HETATM 2165 O HOH B 177 23.519 6.855 33.696 1.00 22.76 O HETATM 2166 O HOH B 178 8.124 -6.123 31.398 1.00 28.19 O HETATM 2167 O HOH B 179 21.867 6.358 30.832 1.00 23.77 O HETATM 2168 O HOH B 180 -0.313 6.769 28.847 1.00 33.33 O HETATM 2169 O HOH B 181 24.773 -0.525 35.418 1.00 21.34 O HETATM 2170 O HOH B 182 18.193 -15.339 27.286 1.00 29.94 O HETATM 2171 O HOH B 183 11.881 -7.759 49.843 1.00 26.45 O HETATM 2172 O HOH B 184 -2.908 -8.511 21.911 1.00 23.26 O HETATM 2173 O HOH B 185 -2.747 -4.510 13.067 1.00 35.23 O HETATM 2174 O HOH B 186 -0.500 2.997 38.631 1.00 22.74 O HETATM 2175 O HOH B 187 6.972 -9.993 22.413 1.00 37.90 O HETATM 2176 O HOH B 188 23.263 -7.962 33.849 1.00 23.18 O HETATM 2177 O HOH B 189 6.079 10.006 46.617 1.00 23.64 O HETATM 2178 O HOH B 190 -0.671 -9.981 22.258 1.00 29.19 O HETATM 2179 O HOH B 191 2.710 -5.204 30.629 1.00 25.40 O HETATM 2180 O HOH B 192 22.810 -2.132 29.009 1.00 24.79 O HETATM 2181 O HOH B 193 17.132 -2.777 49.898 1.00 24.19 O HETATM 2182 O HOH B 194 12.405 14.209 34.539 1.00 31.64 O HETATM 2183 O HOH B 195 16.667 17.999 25.255 1.00 58.45 O HETATM 2184 O HOH B 196 -2.035 -10.295 18.034 1.00 25.16 O HETATM 2185 O HOH B 197 22.952 -10.131 40.960 1.00 26.74 O HETATM 2186 O HOH B 198 -0.249 1.182 31.596 1.00 25.85 O HETATM 2187 O HOH B 199 -0.701 1.981 28.884 1.00 22.87 O HETATM 2188 O HOH B 200 20.560 0.234 41.520 1.00 21.84 O HETATM 2189 O HOH B 201 5.589 -4.651 31.013 1.00 37.14 O HETATM 2190 O HOH B 202 0.603 9.337 42.267 1.00 32.98 O HETATM 2191 O HOH B 203 10.138 -0.513 54.301 1.00 32.21 O HETATM 2192 O HOH B 204 -4.184 -0.308 14.828 1.00 34.56 O HETATM 2193 O HOH B 205 27.954 -4.331 43.940 1.00 30.97 O HETATM 2194 O HOH B 206 -9.129 -11.820 12.261 1.00 42.10 O HETATM 2195 O HOH B 207 1.825 9.995 20.395 1.00 41.70 O HETATM 2196 O HOH B 208 2.506 11.376 39.599 1.00 32.01 O HETATM 2197 O HOH B 209 18.660 3.358 27.452 1.00 26.03 O HETATM 2198 O HOH B 210 1.727 11.847 24.100 1.00 31.27 O HETATM 2199 O HOH B 211 18.886 11.857 27.421 1.00 50.40 O HETATM 2200 O HOH B 212 0.048 3.144 15.835 1.00 33.87 O HETATM 2201 O HOH B 213 -2.887 8.607 24.758 1.00 36.15 O HETATM 2202 O HOH B 214 6.330 16.402 37.994 1.00 44.14 O HETATM 2203 O HOH B 215 5.780 -1.946 31.325 1.00 18.88 O HETATM 2204 O HOH B 216 1.117 1.435 35.932 1.00 24.24 O HETATM 2205 O HOH B 217 0.040 -10.926 19.767 1.00 31.50 O HETATM 2206 O HOH B 218 16.319 -9.806 22.867 1.00 30.86 O HETATM 2207 O HOH B 219 11.790 6.304 51.910 1.00 20.53 O HETATM 2208 O HOH B 220 2.843 7.891 45.210 1.00 34.71 O HETATM 2209 O HOH B 221 0.254 -10.144 28.114 1.00 26.36 O HETATM 2210 O HOH B 222 17.230 11.607 30.023 1.00 29.17 O HETATM 2211 O HOH B 223 19.875 1.032 30.216 1.00 36.99 O HETATM 2212 O HOH B 224 0.417 11.507 29.757 1.00 35.41 O HETATM 2213 O HOH B 225 2.286 13.147 32.944 1.00 34.09 O HETATM 2214 O HOH B 226 24.249 -1.805 44.190 1.00 30.66 O HETATM 2215 O HOH B 227 4.046 -6.562 35.018 1.00 42.39 O HETATM 2216 O HOH B 228 17.758 3.174 50.950 1.00 37.83 O HETATM 2217 O HOH B 229 -7.001 -6.841 17.588 1.00 34.37 O HETATM 2218 O HOH B 230 21.147 -0.005 44.925 1.00 28.68 O HETATM 2219 O HOH B 231 5.908 -8.638 14.571 1.00 38.41 O HETATM 2220 O HOH B 232 -3.761 -8.704 19.324 1.00 28.89 O HETATM 2221 O HOH B 233 3.045 13.009 41.714 1.00 39.20 O HETATM 2222 O HOH B 234 15.343 4.887 51.520 1.00 35.32 O HETATM 2223 O HOH B 235 5.945 9.757 49.470 1.00 29.73 O HETATM 2224 O HOH B 236 12.556 -10.239 37.406 1.00 29.22 O HETATM 2225 O HOH B 237 5.669 -2.898 16.431 1.00 30.66 O HETATM 2226 O HOH B 238 -2.119 -8.641 11.114 1.00 39.24 O HETATM 2227 O HOH B 239 14.469 -11.545 23.358 1.00 45.89 O HETATM 2228 O HOH B 240 19.077 -12.736 36.365 1.00 41.77 O HETATM 2229 O HOH B 241 8.451 -9.773 39.549 1.00 30.39 O HETATM 2230 O HOH B 242 10.596 -4.150 52.989 1.00 29.28 O HETATM 2231 O HOH B 243 8.977 -10.090 49.576 1.00 26.55 O HETATM 2232 O HOH B 244 12.182 9.903 21.070 1.00 48.34 O HETATM 2233 O HOH B 245 23.748 -12.792 29.968 1.00 31.52 O HETATM 2234 O HOH B 246 21.391 0.040 28.421 1.00 30.33 O HETATM 2235 O HOH B 247 -2.495 -12.916 15.073 1.00 47.91 O HETATM 2236 O HOH B 248 18.751 9.964 43.371 1.00 20.28 O HETATM 2237 O HOH B 249 6.873 14.054 43.923 1.00 37.96 O HETATM 2238 O HOH B 250 2.767 13.034 37.504 1.00 41.93 O HETATM 2239 O HOH B 251 13.807 13.785 31.320 1.00 34.24 O HETATM 2240 O HOH B 252 -6.320 -9.844 19.078 1.00 31.07 O HETATM 2241 O HOH B 253 1.047 -1.487 36.073 1.00 48.70 O HETATM 2242 O HOH B 254 15.583 15.283 24.027 1.00 45.09 O HETATM 2243 O HOH B 255 -8.195 0.507 18.319 1.00 41.46 O HETATM 2244 O HOH B 256 8.070 10.586 26.451 1.00 47.59 O HETATM 2245 O HOH B 257 11.940 -8.940 16.497 1.00 53.37 O HETATM 2246 O HOH B 258 15.130 10.826 40.077 1.00 15.44 O HETATM 2247 O HOH B 259 11.317 -5.857 51.338 1.00 24.44 O HETATM 2248 O HOH B 260 20.074 3.628 29.766 1.00 34.78 O HETATM 2249 O HOH B 261 13.212 -0.198 14.826 1.00 33.38 O HETATM 2250 O HOH B 262 14.729 -2.913 14.873 1.00 28.41 O HETATM 2251 O HOH B 263 17.286 -2.452 15.454 1.00 21.70 O HETATM 2252 O HOH B 264 20.491 -8.711 24.514 1.00 30.64 O HETATM 2253 O HOH B 265 24.533 -16.620 32.751 1.00 27.17 O HETATM 2254 O HOH B 266 22.381 -14.933 32.981 1.00 36.84 O HETATM 2255 O HOH B 267 22.836 -8.845 36.374 1.00 22.08 O HETATM 2256 O HOH B 268 22.984 -3.926 36.249 1.00 16.02 O HETATM 2257 O HOH B 269 24.165 -1.713 32.731 1.00 15.09 O HETATM 2258 O HOH B 270 23.624 -6.280 37.394 1.00 23.04 O HETATM 2259 O HOH B 271 24.980 -2.184 37.430 1.00 22.26 O HETATM 2260 O HOH B 272 20.127 11.161 30.642 1.00 30.85 O HETATM 2261 O HOH B 273 23.179 0.859 41.488 1.00 25.24 O HETATM 2262 O HOH B 274 13.595 1.852 52.646 1.00 29.08 O HETATM 2263 O HOH B 275 3.447 3.912 45.400 1.00 22.15 O HETATM 2264 O HOH B 276 2.476 4.076 47.884 1.00 21.20 O HETATM 2265 O HOH B 277 3.571 -8.829 39.149 1.00 25.59 O HETATM 2266 O HOH B 278 0.948 -9.781 40.175 1.00 34.84 O HETATM 2267 O HOH B 279 17.398 -3.180 52.436 1.00 27.02 O HETATM 2268 O HOH B 280 -1.424 4.452 27.392 1.00 24.63 O HETATM 2269 O HOH B 281 16.652 -0.613 53.345 1.00 26.03 O HETATM 2270 O HOH B 282 19.230 13.700 36.633 1.00 34.53 O HETATM 2271 O HOH B 283 21.079 7.814 44.892 1.00 33.05 O HETATM 2272 O HOH B 284 19.403 -10.716 40.206 1.00 27.10 O HETATM 2273 O HOH B 285 14.718 5.796 16.772 1.00 37.97 O HETATM 2274 O HOH B 286 15.827 4.402 20.746 1.00 28.33 O HETATM 2275 O HOH B 287 25.465 -3.961 32.366 1.00 29.86 O HETATM 2276 O HOH B 288 20.874 14.838 38.415 1.00 36.31 O HETATM 2277 O HOH B 289 23.693 -5.393 34.003 1.00 29.29 O HETATM 2278 O HOH B 290 15.875 -12.788 31.688 1.00 41.90 O HETATM 2279 O HOH B 291 24.289 -9.119 31.646 1.00 24.76 O HETATM 2280 O HOH B 292 18.914 14.170 26.236 1.00 39.72 O HETATM 2281 O HOH B 293 7.060 -10.094 25.747 1.00 52.63 O HETATM 2282 O HOH B 294 7.469 -7.526 33.356 1.00 41.09 O HETATM 2283 O HOH B 295 3.134 -8.748 28.761 1.00 34.82 O HETATM 2284 O HOH B 296 23.867 2.920 39.959 1.00 23.74 O HETATM 2285 O HOH B 297 -4.495 6.337 24.513 1.00 32.53 O HETATM 2286 O HOH B 298 9.847 14.042 35.248 1.00 30.81 O HETATM 2287 O HOH B 299 16.642 -11.466 25.054 1.00 40.25 O HETATM 2288 O HOH B 300 19.073 -12.611 25.002 1.00 44.44 O CONECT 194 647 CONECT 310 732 CONECT 446 847 CONECT 496 552 CONECT 552 496 CONECT 647 194 CONECT 732 310 CONECT 847 446 CONECT 1151 1605 CONECT 1267 1690 CONECT 1403 1805 CONECT 1455 1506 CONECT 1506 1455 CONECT 1605 1151 CONECT 1690 1267 CONECT 1805 1403 END