USER MOD reduce.3.24.130724 H: found=0, std=0, add=1869, rem=0, adj=96 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 03-MAR-06 2G8R TITLE THE CRYSTAL STRUCTURE OF THE RNASE A- 3-N-PIPERIDINE-4- TITLE 2 CARBOXYL-3-DEOXY-ARA-URIDINE COMPLEX 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 2 24-FEB-09 2G8R 1 VERSN REVDAT 1 15-AUG-06 2G8R 0 JRNL AUTH D.D.LEONIDAS,T.K.MAITI,A.SAMANTA,S.DASGUPTA, JRNL AUTH 2 T.PATHAK,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 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 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) : 1.70 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 : 24225 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) : 0.193 REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.230 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1304 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.75 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1442 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.70 REMARK 3 BIN R VALUE (WORKING SET) : 0.2860 REMARK 3 BIN FREE R VALUE SET COUNT : 75 REMARK 3 BIN FREE R VALUE : 0.3370 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1913 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 50 REMARK 3 SOLVENT ATOMS : 262 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.58 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.98 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.19000 REMARK 3 B22 (A**2) : -0.01000 REMARK 3 B33 (A**2) : -0.19000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.22000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.127 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.122 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.079 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.483 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.956 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.939 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2008 ; 0.009 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2723 ; 1.301 ; 1.953 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 246 ; 6.297 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 90 ;36.712 ;25.222 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 339 ;11.194 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;12.518 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 302 ; 0.081 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1510 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 975 ; 0.192 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1370 ; 0.301 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 229 ; 0.146 ; 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): 76 ; 0.171 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 30 ; 0.149 ; 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): 1272 ; 0.604 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2015 ; 0.955 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 819 ; 1.539 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 708 ; 2.401 ; 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 : 16 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): 30.3441 -8.2522 27.3282 REMARK 3 T TENSOR REMARK 3 T11: 0.0662 T22: 0.0043 REMARK 3 T33: 0.0101 T12: -0.0342 REMARK 3 T13: -0.0732 T23: 0.0543 REMARK 3 L TENSOR REMARK 3 L11: 1.6144 L22: 4.9463 REMARK 3 L33: 8.5475 L12: 0.3099 REMARK 3 L13: 0.2391 L23: 0.7892 REMARK 3 S TENSOR REMARK 3 S11: 0.3321 S12: -0.2165 S13: -0.2632 REMARK 3 S21: 0.1255 S22: -0.0666 S23: -0.3691 REMARK 3 S31: 0.6995 S32: -0.0896 S33: -0.2655 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): 24.5210 5.7057 38.1208 REMARK 3 T TENSOR REMARK 3 T11: 0.1084 T22: 0.1410 REMARK 3 T33: 0.1030 T12: 0.0743 REMARK 3 T13: 0.0113 T23: 0.0207 REMARK 3 L TENSOR REMARK 3 L11: 26.1894 L22: 77.4730 REMARK 3 L33: 25.4543 L12: 31.3225 REMARK 3 L13: 18.5605 L23: 0.0137 REMARK 3 S TENSOR REMARK 3 S11: -2.3931 S12: -0.3249 S13: -0.1934 REMARK 3 S21: -3.3589 S22: 0.7295 S23: -1.6919 REMARK 3 S31: -0.5092 S32: -0.0296 S33: 1.6636 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 39 REMARK 3 ORIGIN FOR THE GROUP (A): 36.6303 -2.6917 36.8413 REMARK 3 T TENSOR REMARK 3 T11: 0.0933 T22: 0.0281 REMARK 3 T33: -0.0269 T12: -0.0486 REMARK 3 T13: -0.1383 T23: 0.0488 REMARK 3 L TENSOR REMARK 3 L11: 7.4673 L22: 6.5162 REMARK 3 L33: 5.8105 L12: -0.6921 REMARK 3 L13: 1.6751 L23: 2.2971 REMARK 3 S TENSOR REMARK 3 S11: 0.4344 S12: -0.6102 S13: -0.3036 REMARK 3 S21: 0.5626 S22: -0.0113 S23: -0.7040 REMARK 3 S31: 0.5259 S32: -0.0982 S33: -0.4231 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 40 A 61 REMARK 3 ORIGIN FOR THE GROUP (A): 26.4686 -0.3756 24.0339 REMARK 3 T TENSOR REMARK 3 T11: 0.0039 T22: 0.0537 REMARK 3 T33: 0.0079 T12: -0.0042 REMARK 3 T13: 0.0057 T23: 0.0175 REMARK 3 L TENSOR REMARK 3 L11: 2.1015 L22: 1.7373 REMARK 3 L33: 3.8045 L12: 0.1138 REMARK 3 L13: 1.8344 L23: -0.1488 REMARK 3 S TENSOR REMARK 3 S11: 0.0773 S12: -0.2127 S13: -0.0285 REMARK 3 S21: 0.1524 S22: 0.0415 S23: -0.0683 REMARK 3 S31: 0.1053 S32: -0.2554 S33: -0.1188 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 62 A 76 REMARK 3 ORIGIN FOR THE GROUP (A): 30.2346 1.8864 11.6927 REMARK 3 T TENSOR REMARK 3 T11: 0.0191 T22: -0.0049 REMARK 3 T33: 0.0316 T12: 0.0012 REMARK 3 T13: 0.0144 T23: 0.0156 REMARK 3 L TENSOR REMARK 3 L11: 5.1416 L22: 1.9494 REMARK 3 L33: 2.2908 L12: 0.2906 REMARK 3 L13: -0.3547 L23: -0.1009 REMARK 3 S TENSOR REMARK 3 S11: -0.0726 S12: 0.1786 S13: -0.0952 REMARK 3 S21: -0.1260 S22: 0.0189 S23: -0.2108 REMARK 3 S31: 0.0352 S32: -0.1429 S33: 0.0536 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 77 A 95 REMARK 3 ORIGIN FOR THE GROUP (A): 37.2958 4.8294 33.8032 REMARK 3 T TENSOR REMARK 3 T11: 0.0248 T22: -0.0019 REMARK 3 T33: 0.0103 T12: -0.0011 REMARK 3 T13: -0.0598 T23: -0.0576 REMARK 3 L TENSOR REMARK 3 L11: 12.0992 L22: 1.4590 REMARK 3 L33: 6.9798 L12: -1.9177 REMARK 3 L13: 6.5946 L23: -1.0644 REMARK 3 S TENSOR REMARK 3 S11: -0.3394 S12: -0.3636 S13: 0.2103 REMARK 3 S21: 0.3868 S22: 0.2139 S23: -0.3965 REMARK 3 S31: -0.5264 S32: 0.1474 S33: 0.1255 REMARK 3 REMARK 3 TLS GROUP : 7 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 96 A 107 REMARK 3 ORIGIN FOR THE GROUP (A): 29.9579 8.0741 29.1278 REMARK 3 T TENSOR REMARK 3 T11: 0.0365 T22: -0.0025 REMARK 3 T33: -0.0256 T12: 0.0277 REMARK 3 T13: -0.0105 T23: -0.0300 REMARK 3 L TENSOR REMARK 3 L11: 2.2119 L22: 0.5314 REMARK 3 L33: 7.2631 L12: -0.7034 REMARK 3 L13: 2.5758 L23: -0.2459 REMARK 3 S TENSOR REMARK 3 S11: -0.0902 S12: -0.4015 S13: 0.2642 REMARK 3 S21: 0.1860 S22: 0.0344 S23: -0.2235 REMARK 3 S31: -0.6839 S32: -0.5260 S33: 0.0558 REMARK 3 REMARK 3 TLS GROUP : 8 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 108 A 124 REMARK 3 ORIGIN FOR THE GROUP (A): 29.5231 -3.9418 17.1096 REMARK 3 T TENSOR REMARK 3 T11: 0.0251 T22: -0.0029 REMARK 3 T33: 0.0306 T12: -0.0035 REMARK 3 T13: -0.0031 T23: 0.0219 REMARK 3 L TENSOR REMARK 3 L11: 3.3649 L22: 5.6268 REMARK 3 L33: 3.1920 L12: 1.6811 REMARK 3 L13: 0.2610 L23: 1.9380 REMARK 3 S TENSOR REMARK 3 S11: 0.0593 S12: -0.0878 S13: -0.0972 REMARK 3 S21: 0.0307 S22: -0.0278 S23: -0.0820 REMARK 3 S31: 0.0782 S32: -0.2185 S33: -0.0315 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 1 B 14 REMARK 3 ORIGIN FOR THE GROUP (A): 16.3881 5.6695 5.7969 REMARK 3 T TENSOR REMARK 3 T11: 0.0053 T22: 0.0232 REMARK 3 T33: 0.0255 T12: 0.0065 REMARK 3 T13: -0.0027 T23: -0.0262 REMARK 3 L TENSOR REMARK 3 L11: 4.1171 L22: 1.5264 REMARK 3 L33: 7.5036 L12: -0.2457 REMARK 3 L13: -0.0310 L23: 0.3231 REMARK 3 S TENSOR REMARK 3 S11: -0.1659 S12: -0.2896 S13: 0.2450 REMARK 3 S21: -0.0118 S22: 0.2884 S23: -0.0308 REMARK 3 S31: -0.3227 S32: 0.2573 S33: -0.1225 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 15 B 23 REMARK 3 ORIGIN FOR THE GROUP (A): 11.9294 -10.1961 13.5038 REMARK 3 T TENSOR REMARK 3 T11: 0.1939 T22: 0.1178 REMARK 3 T33: 0.0852 T12: -0.0109 REMARK 3 T13: -0.0291 T23: 0.1037 REMARK 3 L TENSOR REMARK 3 L11: 72.4660 L22: 11.9246 REMARK 3 L33: 11.4627 L12: 11.1529 REMARK 3 L13: -23.3096 L23: -9.9494 REMARK 3 S TENSOR REMARK 3 S11: 0.7862 S12: -1.2721 S13: -4.1817 REMARK 3 S21: 1.2902 S22: -1.3672 S23: -0.0736 REMARK 3 S31: 0.1415 S32: 1.0622 S33: 0.5810 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 24 B 30 REMARK 3 ORIGIN FOR THE GROUP (A): 8.2680 -2.4957 17.4846 REMARK 3 T TENSOR REMARK 3 T11: 0.0992 T22: 0.0955 REMARK 3 T33: -0.0956 T12: 0.0769 REMARK 3 T13: 0.0334 T23: 0.0951 REMARK 3 L TENSOR REMARK 3 L11: 8.5487 L22: 13.8256 REMARK 3 L33: 0.5927 L12: 0.2033 REMARK 3 L13: -0.0039 L23: 2.8620 REMARK 3 S TENSOR REMARK 3 S11: -0.1069 S12: -0.8501 S13: -0.4709 REMARK 3 S21: 1.0636 S22: -0.0296 S23: -0.0319 REMARK 3 S31: 0.2959 S32: 0.3626 S33: 0.1364 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 31 B 39 REMARK 3 ORIGIN FOR THE GROUP (A): 10.0815 7.8423 16.1626 REMARK 3 T TENSOR REMARK 3 T11: -0.0005 T22: 0.0531 REMARK 3 T33: -0.0167 T12: -0.0040 REMARK 3 T13: -0.0409 T23: -0.0484 REMARK 3 L TENSOR REMARK 3 L11: 19.0399 L22: 8.3534 REMARK 3 L33: 6.0001 L12: -7.0454 REMARK 3 L13: -8.2992 L23: 5.5388 REMARK 3 S TENSOR REMARK 3 S11: 0.0214 S12: -0.5336 S13: 1.1239 REMARK 3 S21: 0.3982 S22: -0.0864 S23: -0.0922 REMARK 3 S31: -0.2369 S32: 0.1565 S33: 0.0649 REMARK 3 REMARK 3 TLS GROUP : 13 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 40 B 60 REMARK 3 ORIGIN FOR THE GROUP (A): 12.9958 -2.5518 2.2525 REMARK 3 T TENSOR REMARK 3 T11: 0.0089 T22: -0.0115 REMARK 3 T33: 0.0585 T12: 0.0157 REMARK 3 T13: -0.0088 T23: 0.0122 REMARK 3 L TENSOR REMARK 3 L11: 1.6226 L22: 1.2878 REMARK 3 L33: 1.6355 L12: -0.3721 REMARK 3 L13: -0.8383 L23: 1.1975 REMARK 3 S TENSOR REMARK 3 S11: -0.0517 S12: -0.1447 S13: -0.0927 REMARK 3 S21: 0.1556 S22: 0.0296 S23: -0.0304 REMARK 3 S31: 0.1131 S32: 0.0338 S33: 0.0221 REMARK 3 REMARK 3 TLS GROUP : 14 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 61 B 70 REMARK 3 ORIGIN FOR THE GROUP (A): 6.6382 4.5465 -10.6900 REMARK 3 T TENSOR REMARK 3 T11: 0.0014 T22: 0.0159 REMARK 3 T33: 0.0935 T12: 0.0167 REMARK 3 T13: -0.0276 T23: 0.0402 REMARK 3 L TENSOR REMARK 3 L11: 7.7185 L22: 10.4342 REMARK 3 L33: 3.6210 L12: -4.7696 REMARK 3 L13: -1.2242 L23: 1.8256 REMARK 3 S TENSOR REMARK 3 S11: 0.0144 S12: 0.2262 S13: 0.3735 REMARK 3 S21: -0.0520 S22: -0.1637 S23: 0.0933 REMARK 3 S31: -0.1154 S32: -0.0905 S33: 0.1493 REMARK 3 REMARK 3 TLS GROUP : 15 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 71 B 89 REMARK 3 ORIGIN FOR THE GROUP (A): 6.0099 -3.4794 2.0285 REMARK 3 T TENSOR REMARK 3 T11: 0.0255 T22: -0.0187 REMARK 3 T33: 0.0589 T12: 0.0082 REMARK 3 T13: 0.0258 T23: 0.0136 REMARK 3 L TENSOR REMARK 3 L11: 1.0024 L22: 1.0373 REMARK 3 L33: 0.6883 L12: -0.2645 REMARK 3 L13: 0.0420 L23: 0.6850 REMARK 3 S TENSOR REMARK 3 S11: -0.1213 S12: -0.0757 S13: -0.1433 REMARK 3 S21: 0.1524 S22: -0.0399 S23: 0.0557 REMARK 3 S31: 0.1696 S32: -0.0972 S33: 0.1612 REMARK 3 REMARK 3 TLS GROUP : 16 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 90 B 124 REMARK 3 ORIGIN FOR THE GROUP (A): 8.0899 0.9618 4.1402 REMARK 3 T TENSOR REMARK 3 T11: 0.0434 T22: 0.0129 REMARK 3 T33: 0.0676 T12: 0.0045 REMARK 3 T13: 0.0148 T23: 0.0028 REMARK 3 L TENSOR REMARK 3 L11: 1.8000 L22: 0.5103 REMARK 3 L33: 2.0355 L12: 0.0519 REMARK 3 L13: -0.8801 L23: -0.0790 REMARK 3 S TENSOR REMARK 3 S11: 0.0013 S12: -0.2057 S13: 0.0010 REMARK 3 S21: 0.1856 S22: -0.0355 S23: 0.0644 REMARK 3 S31: 0.0138 S32: -0.0828 S33: 0.0341 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 REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2G8R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036830. 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 : 24227 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 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 : 19.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07100 REMARK 200 FOR THE DATA SET : 4.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.75 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.7 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.45000 REMARK 200 FOR SHELL : 3.200 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 2G8Q REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.89 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20MM SODIUM CITRATE BUFFER AND 20% REMARK 280 PEG 4000, PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 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 50.08700 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.26500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.08700 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.26500 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 SIGNIFICANT ASSEMBLY 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH B 133 O HOH B 249 2.03 REMARK 500 O HOH A 1029 O HOH A 1122 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 SER A 23 CB SER A 23 OG 0.103 REMARK 500 SER B 23 C SER B 23 O 0.142 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 -77.23 -104.73 REMARK 500 GLN A 60 -139.58 -96.61 REMARK 500 ASN A 71 35.17 -94.28 REMARK 500 HIS B 48 64.07 -103.99 REMARK 500 GLN B 60 -130.96 -105.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 253 DISTANCE = 8.17 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE N3E A 998 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE N3E A 999 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2G8Q RELATED DB: PDB DBREF 2G8R A 1 124 UNP P61823 RNAS1_BOVIN 27 150 DBREF 2G8R 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 HET N3E A 998 25 HET N3E A 999 25 HETNAM N3E 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D- HETNAM 2 N3E ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE HETSYN N3E 3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE FORMUL 3 N3E 2(C15 H21 N3 O7) FORMUL 5 HOH *262(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 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 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 CYS B 84 N ASN B 44 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 CYS B 84 N ASN B 44 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 2.05 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 2.03 CISPEP 1 ALA A 19 ALA A 20 0 -21.01 CISPEP 2 TYR A 92 PRO A 93 0 4.28 CISPEP 3 ASN A 113 PRO A 114 0 5.57 CISPEP 4 TYR B 92 PRO B 93 0 6.63 CISPEP 5 ASN B 113 PRO B 114 0 6.92 SITE *** AC1 15 ALA A 4 ASN A 67 ASN A 71 ALA A 109 SITE *** AC1 15 GLU A 111 VAL A 118 HIS A 119 HOH A1009 SITE *** AC1 15 HOH A1049 HOH A1123 HOH A1124 ASN B 62 SITE *** AC1 15 THR B 70 TYR B 73 HOH B 218 SITE *** AC2 11 HIS A 12 ASN A 44 THR A 45 LYS A 66 SITE *** AC2 11 ASN A 67 HIS A 119 PHE A 120 ASP A 121 SITE *** AC2 11 HOH A1016 HOH A1049 HOH A1054 CRYST1 100.174 32.530 72.512 90.00 90.46 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 0.009983 0.000000 0.000079 0.00000 SCALE2 0.000000 0.030741 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013791 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 NoAdj-H: A 998 N3E H13 : A 998 N3E O13 : A 998 N3E C11 :(short bond) USER MOD NoAdj-H: A 999 N3E H13 : A 999 N3E O13 : A 999 N3E C11 :(short bond) USER MOD Set 1.1: B 98 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.749) USER MOD Set 1.2: B 100 THR OG1 : rot 91:sc= 1.87 USER MOD Set 2.1: B 87 THR OG1 : rot -178:sc= 1.39 USER MOD Set 2.2: B 89 SER OG : rot 90:sc= 0.991 USER MOD Set 3.1: B 25 TYR OH : rot -35:sc= -0.796! USER MOD Set 3.2: B 48 HIS : +bothHN:sc= -1.38! C(o=0.76!,f=-8.1!) USER MOD Set 3.3: B 80 SER OG : rot 180:sc= 2.14 USER MOD Set 3.4: B 82 THR OG1 : rot -60:sc= 0.801 USER MOD Set 4.1: B 73 TYR OH : rot 17:sc= 1.04 USER MOD Set 4.2: B 115 TYR OH : rot 30:sc= 0.892 USER MOD Set 5.1: B 30 MET CE :methyl 136:sc= -0.0538 (180deg=-0.65) USER MOD Set 5.2: B 97 TYR OH : rot 178:sc= 1.29 USER MOD Set 6.1: B 24 ASN : amide:sc= -0.234 K(o=0.37,f=-0.44) USER MOD Set 6.2: B 27 ASN : amide:sc= 0.601 K(o=0.37,f=-5.7!) USER MOD Set 7.1: B 13 MET CE :methyl -159:sc= -0.351 (180deg=-1.61) USER MOD Set 7.2: B 15 SER OG : rot -62:sc= 1.14 USER MOD Set 8.1: B 12 HIS : no HE2:sc= 3.24 K(o=7.3,f=0.097!) USER MOD Set 8.2: B 41 LYS NZ :NH3+ -159:sc= 1.94 (180deg=0.516) USER MOD Set 8.3: B 44 ASN : amide:sc= 2.16 K(o=7.3,f=-3.8!) USER MOD Set 9.1: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set10.1: A 21 SER OG : rot 160:sc= 0.378 USER MOD Set10.2: A 25 TYR OH : rot 17:sc= 1.13 USER MOD Set10.3: A 29 MET CE :methyl -132:sc= 0 (180deg=-0.937) USER MOD Set10.4: A 48 HIS : +bothHN:sc= 1.15 K(o=6.2,f=-8.4!) USER MOD Set10.5: A 80 SER OG : rot 179:sc= 1.35 USER MOD Set10.6: A 82 THR OG1 : rot -32:sc= 1.73 USER MOD Set10.7: A 101 GLN :FLIP amide:sc= 0.512 F(o=4.6,f=6.2) USER MOD Set11.1: A 77 SER OG : rot -47:sc= 0.264 USER MOD Set11.2: B 34 ASN : amide:sc= 0.258 K(o=0.52,f=0.022) USER MOD Set12.1: A 73 TYR OH : rot 180:sc= 0.866 USER MOD Set12.2: A 115 TYR OH : rot 163:sc= 0.983 USER MOD Set13.1: A 30 MET CE :methyl 162:sc= -0.308 (180deg=-0.633) USER MOD Set13.2: A 97 TYR OH : rot -172:sc= 1.35 USER MOD Set14.1: A 12 HIS : no HE2:sc= 3.17 K(o=7.1,f=-0.61!) USER MOD Set14.2: A 41 LYS NZ :NH3+ -166:sc= 2.18 (180deg=1.32) USER MOD Set14.3: A 44 ASN : amide:sc= 1.71 K(o=7.1,f=-1.1!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -162:sc= 1.5 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.718 X(o=0.72,f=0.83) USER MOD Single : A 13 MET CE :methyl -162:sc= -0.11 (180deg=-0.9) USER MOD Single : A 15 SER OG : rot -61:sc= 1.29 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 180:sc= 0.122 USER MOD Single : A 23 SER OG : rot 118:sc= 0.784 USER MOD Single : A 24 ASN : amide:sc=-0.00275 K(o=-0.0028,f=-0.83) USER MOD Single : A 27 ASN : amide:sc= 0.987 K(o=0.99,f=-5.8!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -90:sc= 0.482 USER MOD Single : A 34 ASN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 36 THR OG1 : rot -11:sc= 0.766 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 112:sc= 2.11 USER MOD Single : A 50 SER OG : rot 180:sc= 0.303 USER MOD Single : A 55 GLN :FLIP amide:sc= 0.901 F(o=-1.2,f=0.9) USER MOD Single : A 59 SER OG : rot -38:sc= 0.797 USER MOD Single : A 60 GLN : amide:sc= 1.69 K(o=1.7,f=-2.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 2.24 K(o=2.2,f=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.404 (180deg=0.385) USER MOD Single : A 67 ASN : amide:sc= 1.39 K(o=1.4,f=-6!) USER MOD Single : A 69 GLN : amide:sc= 2.61 X(o=2.6,f=2.2) USER MOD Single : A 70 THR OG1 : rot 78:sc= 1.33 USER MOD Single : A 71 ASN : amide:sc= 3.08 K(o=3.1,f=-1.9!) USER MOD Single : A 74 GLN : amide:sc= 2.26 K(o=2.3,f=0.79) USER MOD Single : A 75 SER OG : rot 114:sc= 1.4 USER MOD Single : A 76 TYR OH : rot 142:sc= 2.77 USER MOD Single : A 78 THR OG1 : rot -70:sc= 0 USER MOD Single : A 79 MET CE :methyl 174:sc= -0.0115 (180deg=-0.0345) USER MOD Single : A 90 SER OG : rot -108:sc= 1.08 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 0.958 (180deg=0.689) USER MOD Single : A 92 TYR OH : rot -168:sc= 1.01 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -54:sc= 1.48 USER MOD Single : A 100 THR OG1 : rot 94:sc= 0.959 USER MOD Single : A 103 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= 0.475 K(o=0.47,f=-1.3) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 119 HIS : no HD1:sc= 1.76 K(o=1.8,f=-7.2!) USER MOD Single : A 123 SER OG : rot -135:sc= 0.00229 USER MOD Single : A 998 N3E O2' : rot -96:sc= 0.918 USER MOD Single : A 998 N3E O5' : rot 115:sc= 0.0603 USER MOD Single : A 999 N3E O2' : rot 180:sc= 0 USER MOD Single : A 999 N3E O5' : rot 48:sc= 1.24 USER MOD Single : B 1 LYS N :NH3+ 140:sc= 0.0354 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -161:sc= 1.22 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0.737 X(o=0.74,f=1.1) USER MOD Single : B 16 SER OG : rot -73:sc= 1.3 USER MOD Single : B 17 THR OG1 : rot -115:sc= 0.738 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 :FLIP amide:sc= -0.0364 F(o=-1.2!,f=-0.036) USER MOD Single : B 29 MET CE :methyl -105:sc= -2.35! (180deg=-5.02!) USER MOD Single : B 31 LYS NZ :NH3+ 159:sc= -0.0305 (180deg=-0.302) USER MOD Single : B 32 SER OG : rot 75:sc= 0.248 USER MOD Single : B 36 THR OG1 : rot 63:sc= 0.815 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot -143:sc= 1.99 USER MOD Single : B 50 SER OG : rot -85:sc= 1.2 USER MOD Single : B 55 GLN :FLIP amide:sc= 1.5 F(o=0.51,f=1.5) USER MOD Single : B 59 SER OG A: rot -13:sc= 2.46 USER MOD Single : B 59 SER OG B: rot 58:sc= 1.78 USER MOD Single : B 60 GLN : amide:sc= 1.83 K(o=1.8,f=-2.5!) USER MOD Single : B 61 LYS NZ :NH3+ -174:sc= 0.0649 (180deg=0.0285) USER MOD Single : B 62 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 ASN : amide:sc= -0.447 K(o=-0.45,f=-8.5!) USER MOD Single : B 69 GLN : amide:sc= 2.12 K(o=2.1,f=-0.087) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 ASN : amide:sc= 1.73 K(o=1.7,f=-2.2!) USER MOD Single : B 74 GLN : amide:sc= 1.82 K(o=1.8,f=1.2) USER MOD Single : B 75 SER OG : rot 104:sc= 1.39 USER MOD Single : B 76 TYR OH : rot -157:sc= 1.85 USER MOD Single : B 77 SER OG : rot 152:sc= 0.966 USER MOD Single : B 78 THR OG1 : rot 82:sc= 0.00762 USER MOD Single : B 79 MET CE :methyl -174:sc= 0 (180deg=-0.0624) USER MOD Single : B 90 SER OG : rot -105:sc= 1.29 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 TYR OH : rot 8:sc= 0.839 USER MOD Single : B 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 THR OG1 : rot -55:sc= 1.95 USER MOD Single : B 101 GLN : amide:sc= -0.0383 K(o=-0.038,f=-2) USER MOD Single : B 103 ASN : amide:sc= 1.04 X(o=1,f=1.2) USER MOD Single : B 104 LYS NZ :NH3+ 167:sc= 0.564 (180deg=0.471) USER MOD Single : B 105 HIS : no HE2:sc= 0.282 K(o=0.28,f=-1.2) USER MOD Single : B 113 ASN :FLIP amide:sc= -0.0249 F(o=-1.9,f=-0.025) USER MOD Single : B 119 HIS A: no HD1:sc= 0.256 X(o=0.26,f=0.019) USER MOD Single : B 119 HIS B:FLIP no HD1:sc= -0.427 F(o=-0.93,f=-0.43) USER MOD Single : B 123 SER OG : rot -95:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 34.707 -20.957 26.889 1.00 24.86 N ATOM 2 CA LYS A 1 35.551 -19.898 26.264 1.00 24.74 C ATOM 3 C LYS A 1 34.694 -18.712 25.801 1.00 24.42 C ATOM 4 O LYS A 1 33.722 -18.878 25.052 1.00 24.15 O ATOM 5 CB LYS A 1 36.397 -20.485 25.117 1.00 24.93 C ATOM 6 CG LYS A 1 37.176 -19.462 24.276 1.00 26.17 C ATOM 7 CD LYS A 1 38.285 -18.759 25.061 1.00 27.25 C ATOM 8 CE LYS A 1 38.836 -17.572 24.273 1.00 28.72 C ATOM 9 NZ LYS A 1 39.712 -16.696 25.111 1.00 29.10 N ATOM 0 H1 LYS A 1 35.224 -21.633 27.149 1.00 24.86 H new ATOM 0 H2 LYS A 1 34.282 -20.620 27.595 1.00 24.86 H new ATOM 0 H3 LYS A 1 34.111 -21.250 26.296 1.00 24.86 H new ATOM 0 HA LYS A 1 36.165 -19.558 26.933 1.00 24.74 H new ATOM 0 HB2 LYS A 1 37.028 -21.118 25.493 1.00 24.93 H new ATOM 0 HB3 LYS A 1 35.811 -20.985 24.528 1.00 24.93 H new ATOM 0 HG2 LYS A 1 37.565 -19.911 23.509 1.00 26.17 H new ATOM 0 HG3 LYS A 1 36.559 -18.797 23.933 1.00 26.17 H new ATOM 0 HD2 LYS A 1 37.940 -18.454 25.915 1.00 27.25 H new ATOM 0 HD3 LYS A 1 39.000 -19.386 25.252 1.00 27.25 H new ATOM 0 HE2 LYS A 1 39.341 -17.898 23.511 1.00 28.72 H new ATOM 0 HE3 LYS A 1 38.099 -17.049 23.922 1.00 28.72 H new ATOM 0 HZ1 LYS A 1 40.013 -16.018 24.619 1.00 29.10 H new ATOM 0 HZ2 LYS A 1 39.244 -16.378 25.798 1.00 29.10 H new ATOM 0 HZ3 LYS A 1 40.401 -17.169 25.416 1.00 29.10 H new ATOM 10 N GLU A 2 35.073 -17.520 26.263 1.00 23.90 N ATOM 11 CA GLU A 2 34.286 -16.303 26.068 1.00 23.10 C ATOM 12 C GLU A 2 34.204 -15.848 24.612 1.00 22.77 C ATOM 13 O GLU A 2 35.222 -15.549 23.976 1.00 22.81 O ATOM 14 CB GLU A 2 34.826 -15.168 26.948 1.00 23.34 C ATOM 15 CG GLU A 2 33.963 -13.914 26.927 1.00 22.81 C ATOM 16 CD GLU A 2 34.443 -12.842 27.887 1.00 23.00 C ATOM 17 OE1 GLU A 2 35.628 -12.454 27.818 1.00 22.33 O ATOM 18 OE2 GLU A 2 33.620 -12.370 28.699 1.00 23.11 O ATOM 0 H GLU A 2 35.801 -17.395 26.703 1.00 23.90 H new ATOM 0 HA GLU A 2 33.380 -16.525 26.335 1.00 23.10 H new ATOM 0 HB2 GLU A 2 34.900 -15.485 27.862 1.00 23.34 H new ATOM 0 HB3 GLU A 2 35.722 -14.940 26.654 1.00 23.34 H new ATOM 0 HG2 GLU A 2 33.951 -13.552 26.027 1.00 22.81 H new ATOM 0 HG3 GLU A 2 33.050 -14.153 27.149 1.00 22.81 H new ATOM 19 N THR A 3 32.978 -15.794 24.099 1.00 21.95 N ATOM 20 CA THR A 3 32.720 -15.275 22.755 1.00 21.41 C ATOM 21 C THR A 3 32.903 -13.758 22.742 1.00 20.76 C ATOM 22 O THR A 3 32.875 -13.113 23.793 1.00 20.02 O ATOM 23 CB THR A 3 31.295 -15.621 22.257 1.00 21.81 C ATOM 24 OG1 THR A 3 30.322 -14.950 23.070 1.00 22.96 O ATOM 25 CG2 THR A 3 31.038 -17.127 22.277 1.00 21.72 C ATOM 0 H THR A 3 32.274 -16.056 24.517 1.00 21.95 H new ATOM 0 HA THR A 3 33.356 -15.697 22.156 1.00 21.41 H new ATOM 0 HB THR A 3 31.220 -15.321 21.338 1.00 21.81 H new ATOM 0 HG1 THR A 3 29.573 -15.316 22.971 1.00 22.96 H new ATOM 0 HG21 THR A 3 30.139 -17.306 21.960 1.00 21.72 H new ATOM 0 HG22 THR A 3 31.679 -17.572 21.701 1.00 21.72 H new ATOM 0 HG23 THR A 3 31.133 -17.460 23.183 1.00 21.72 H new ATOM 26 N ALA A 4 33.107 -13.203 21.547 1.00 20.04 N ATOM 27 CA ALA A 4 33.260 -11.762 21.368 1.00 19.65 C ATOM 28 C ALA A 4 31.999 -11.036 21.823 1.00 19.57 C ATOM 29 O ALA A 4 32.076 -9.983 22.470 1.00 20.14 O ATOM 30 CB ALA A 4 33.552 -11.452 19.918 1.00 19.74 C ATOM 0 H ALA A 4 33.160 -13.654 20.817 1.00 20.04 H new ATOM 0 HA ALA A 4 34.003 -11.454 21.910 1.00 19.65 H new ATOM 0 HB1 ALA A 4 33.652 -10.494 19.806 1.00 19.74 H new ATOM 0 HB2 ALA A 4 34.372 -11.896 19.651 1.00 19.74 H new ATOM 0 HB3 ALA A 4 32.819 -11.767 19.366 1.00 19.74 H new ATOM 31 N ALA A 5 30.842 -11.609 21.489 1.00 19.12 N ATOM 32 CA ALA A 5 29.558 -11.070 21.936 1.00 18.74 C ATOM 33 C ALA A 5 29.466 -11.037 23.466 1.00 18.54 C ATOM 34 O ALA A 5 29.098 -10.007 24.039 1.00 17.85 O ATOM 35 CB ALA A 5 28.396 -11.855 21.332 1.00 18.43 C ATOM 0 H ALA A 5 30.780 -12.315 21.001 1.00 19.12 H new ATOM 0 HA ALA A 5 29.498 -10.155 21.621 1.00 18.74 H new ATOM 0 HB1 ALA A 5 27.557 -11.481 21.642 1.00 18.43 H new ATOM 0 HB2 ALA A 5 28.437 -11.800 20.364 1.00 18.43 H new ATOM 0 HB3 ALA A 5 28.456 -12.784 21.606 1.00 18.43 H new ATOM 36 N ALA A 6 29.832 -12.149 24.117 1.00 18.03 N ATOM 37 CA ALA A 6 29.864 -12.218 25.582 1.00 17.60 C ATOM 38 C ALA A 6 30.836 -11.191 26.180 1.00 17.59 C ATOM 39 O ALA A 6 30.520 -10.543 27.191 1.00 17.24 O ATOM 40 CB ALA A 6 30.205 -13.642 26.062 1.00 17.77 C ATOM 0 H ALA A 6 30.066 -12.877 23.724 1.00 18.03 H new ATOM 0 HA ALA A 6 28.975 -11.996 25.900 1.00 17.60 H new ATOM 0 HB1 ALA A 6 30.220 -13.662 27.032 1.00 17.77 H new ATOM 0 HB2 ALA A 6 29.534 -14.263 25.737 1.00 17.77 H new ATOM 0 HB3 ALA A 6 31.076 -13.899 25.720 1.00 17.77 H new ATOM 41 N LYS A 7 32.004 -11.041 25.553 1.00 17.54 N ATOM 42 CA LYS A 7 33.002 -10.066 25.998 1.00 17.79 C ATOM 43 C LYS A 7 32.428 -8.656 25.921 1.00 17.38 C ATOM 44 O LYS A 7 32.558 -7.878 26.876 1.00 17.36 O ATOM 45 CB LYS A 7 34.293 -10.172 25.177 1.00 17.83 C ATOM 46 CG LYS A 7 35.422 -9.259 25.659 1.00 18.99 C ATOM 47 CD LYS A 7 36.663 -9.435 24.797 1.00 19.81 C ATOM 48 CE LYS A 7 37.640 -8.281 24.990 1.00 22.33 C ATOM 49 NZ LYS A 7 38.836 -8.400 24.095 1.00 24.59 N ATOM 0 H LYS A 7 32.239 -11.498 24.863 1.00 17.54 H new ATOM 0 HA LYS A 7 33.226 -10.263 26.921 1.00 17.79 H new ATOM 0 HB2 LYS A 7 34.603 -11.091 25.198 1.00 17.83 H new ATOM 0 HB3 LYS A 7 34.094 -9.961 24.251 1.00 17.83 H new ATOM 0 HG2 LYS A 7 35.131 -8.334 25.629 1.00 18.99 H new ATOM 0 HG3 LYS A 7 35.634 -9.460 26.584 1.00 18.99 H new ATOM 0 HD2 LYS A 7 37.099 -10.272 25.022 1.00 19.81 H new ATOM 0 HD3 LYS A 7 36.406 -9.491 23.863 1.00 19.81 H new ATOM 0 HE2 LYS A 7 37.187 -7.442 24.813 1.00 22.33 H new ATOM 0 HE3 LYS A 7 37.931 -8.256 25.915 1.00 22.33 H new ATOM 0 HZ1 LYS A 7 39.382 -7.711 24.235 1.00 24.59 H new ATOM 0 HZ2 LYS A 7 39.265 -9.159 24.272 1.00 24.59 H new ATOM 0 HZ3 LYS A 7 38.572 -8.400 23.245 1.00 24.59 H new ATOM 50 N PHE A 8 31.770 -8.347 24.803 1.00 17.01 N ATOM 51 CA PHE A 8 31.099 -7.059 24.652 1.00 16.69 C ATOM 52 C PHE A 8 30.117 -6.799 25.795 1.00 17.30 C ATOM 53 O PHE A 8 30.125 -5.722 26.388 1.00 17.75 O ATOM 54 CB PHE A 8 30.396 -6.919 23.291 1.00 17.22 C ATOM 55 CG PHE A 8 29.693 -5.603 23.140 1.00 15.58 C ATOM 56 CD1 PHE A 8 30.374 -4.502 22.629 1.00 15.35 C ATOM 57 CD2 PHE A 8 28.372 -5.452 23.554 1.00 15.44 C ATOM 58 CE1 PHE A 8 29.736 -3.272 22.497 1.00 16.37 C ATOM 59 CE2 PHE A 8 27.720 -4.225 23.444 1.00 16.90 C ATOM 60 CZ PHE A 8 28.408 -3.121 22.914 1.00 17.60 C ATOM 0 H PHE A 8 31.701 -8.869 24.123 1.00 17.01 H new ATOM 0 HA PHE A 8 31.794 -6.384 24.689 1.00 16.69 H new ATOM 0 HB2 PHE A 8 31.050 -7.016 22.581 1.00 17.22 H new ATOM 0 HB3 PHE A 8 29.754 -7.639 23.186 1.00 17.22 H new ATOM 0 HD1 PHE A 8 31.264 -4.589 22.373 1.00 15.35 H new ATOM 0 HD2 PHE A 8 27.918 -6.181 23.910 1.00 15.44 H new ATOM 0 HE1 PHE A 8 30.193 -2.549 22.131 1.00 16.37 H new ATOM 0 HE2 PHE A 8 26.836 -4.138 23.719 1.00 16.90 H new ATOM 0 HZ PHE A 8 27.985 -2.296 22.841 1.00 17.60 H new ATOM 61 N GLU A 9 29.261 -7.781 26.082 1.00 17.47 N ATOM 62 CA GLU A 9 28.313 -7.688 27.188 1.00 18.05 C ATOM 63 C GLU A 9 29.012 -7.444 28.526 1.00 17.73 C ATOM 64 O GLU A 9 28.606 -6.569 29.295 1.00 18.30 O ATOM 65 CB GLU A 9 27.425 -8.942 27.246 1.00 17.83 C ATOM 66 CG GLU A 9 26.509 -9.072 26.040 1.00 19.01 C ATOM 67 CD GLU A 9 25.478 -10.189 26.180 1.00 19.25 C ATOM 68 OE1 GLU A 9 25.027 -10.471 27.318 1.00 22.55 O ATOM 69 OE2 GLU A 9 25.108 -10.781 25.146 1.00 20.84 O ATOM 0 H GLU A 9 29.215 -8.518 25.641 1.00 17.47 H new ATOM 0 HA GLU A 9 27.747 -6.918 27.022 1.00 18.05 H new ATOM 0 HB2 GLU A 9 27.988 -9.729 27.305 1.00 17.83 H new ATOM 0 HB3 GLU A 9 26.888 -8.916 28.053 1.00 17.83 H new ATOM 0 HG2 GLU A 9 26.047 -8.230 25.901 1.00 19.01 H new ATOM 0 HG3 GLU A 9 27.047 -9.235 25.249 1.00 19.01 H new ATOM 70 N ARG A 10 30.085 -8.190 28.780 1.00 18.13 N ATOM 71 CA ARG A 10 30.840 -8.032 30.020 1.00 17.70 C ATOM 72 C ARG A 10 31.493 -6.645 30.087 1.00 17.77 C ATOM 73 O ARG A 10 31.469 -5.979 31.118 1.00 17.97 O ATOM 74 CB ARG A 10 31.906 -9.116 30.136 1.00 17.96 C ATOM 75 CG ARG A 10 32.810 -8.949 31.354 1.00 17.89 C ATOM 76 CD ARG A 10 33.739 -10.132 31.515 1.00 19.28 C ATOM 77 NE ARG A 10 34.584 -10.353 30.339 1.00 20.95 N ATOM 78 CZ ARG A 10 35.729 -9.715 30.096 1.00 20.81 C ATOM 79 NH1 ARG A 10 36.178 -8.786 30.934 1.00 20.79 N ATOM 80 NH2 ARG A 10 36.423 -10.004 29.005 1.00 21.48 N ATOM 0 H ARG A 10 30.392 -8.792 28.248 1.00 18.13 H new ATOM 0 HA ARG A 10 30.222 -8.118 30.762 1.00 17.70 H new ATOM 0 HB2 ARG A 10 31.473 -9.983 30.179 1.00 17.96 H new ATOM 0 HB3 ARG A 10 32.451 -9.111 29.334 1.00 17.96 H new ATOM 0 HG2 ARG A 10 33.331 -8.136 31.264 1.00 17.89 H new ATOM 0 HG3 ARG A 10 32.267 -8.851 32.152 1.00 17.89 H new ATOM 0 HD2 ARG A 10 34.303 -9.992 32.292 1.00 19.28 H new ATOM 0 HD3 ARG A 10 33.214 -10.930 31.686 1.00 19.28 H new ATOM 0 HE ARG A 10 34.323 -10.936 29.764 1.00 20.95 H new ATOM 0 HH11 ARG A 10 35.729 -8.591 31.641 1.00 20.79 H new ATOM 0 HH12 ARG A 10 36.918 -8.380 30.769 1.00 20.79 H new ATOM 0 HH21 ARG A 10 36.134 -10.601 28.457 1.00 21.48 H new ATOM 0 HH22 ARG A 10 37.162 -9.595 28.845 1.00 21.48 H new ATOM 81 N GLN A 11 32.087 -6.219 28.983 1.00 17.77 N ATOM 82 CA GLN A 11 32.836 -4.964 28.996 1.00 18.24 C ATOM 83 C GLN A 11 31.933 -3.730 28.949 1.00 18.37 C ATOM 84 O GLN A 11 32.306 -2.660 29.442 1.00 18.88 O ATOM 85 CB GLN A 11 33.830 -4.932 27.832 1.00 18.13 C ATOM 86 CG GLN A 11 34.967 -5.942 27.985 1.00 18.44 C ATOM 87 CD GLN A 11 36.131 -5.711 27.026 1.00 19.54 C ATOM 88 OE1 GLN A 11 37.286 -5.982 27.370 1.00 23.90 O ATOM 89 NE2 GLN A 11 35.837 -5.223 25.826 1.00 19.53 N ATOM 0 H GLN A 11 32.072 -6.629 28.227 1.00 17.77 H new ATOM 0 HA GLN A 11 33.314 -4.931 29.839 1.00 18.24 H new ATOM 0 HB2 GLN A 11 33.356 -5.110 27.004 1.00 18.13 H new ATOM 0 HB3 GLN A 11 34.205 -4.040 27.758 1.00 18.13 H new ATOM 0 HG2 GLN A 11 35.298 -5.908 28.896 1.00 18.44 H new ATOM 0 HG3 GLN A 11 34.616 -6.835 27.844 1.00 18.44 H new ATOM 0 HE21 GLN A 11 35.020 -5.046 25.622 1.00 19.53 H new ATOM 0 HE22 GLN A 11 36.463 -5.084 25.253 1.00 19.53 H new ATOM 90 N HIS A 12 30.756 -3.868 28.342 1.00 18.27 N ATOM 91 CA HIS A 12 30.034 -2.681 27.888 1.00 17.81 C ATOM 92 C HIS A 12 28.564 -2.580 28.245 1.00 18.57 C ATOM 93 O HIS A 12 27.964 -1.534 28.029 1.00 19.19 O ATOM 94 CB HIS A 12 30.225 -2.509 26.379 1.00 17.55 C ATOM 95 CG HIS A 12 31.636 -2.212 25.994 1.00 15.85 C ATOM 96 ND1 HIS A 12 32.319 -1.109 26.462 1.00 16.37 N ATOM 97 CD2 HIS A 12 32.502 -2.885 25.202 1.00 15.33 C ATOM 98 CE1 HIS A 12 33.534 -1.098 25.946 1.00 15.90 C ATOM 99 NE2 HIS A 12 33.676 -2.176 25.194 1.00 15.48 N ATOM 0 H HIS A 12 30.366 -4.619 28.186 1.00 18.27 H new ATOM 0 HA HIS A 12 30.436 -1.956 28.392 1.00 17.81 H new ATOM 0 HB2 HIS A 12 29.937 -3.318 25.928 1.00 17.55 H new ATOM 0 HB3 HIS A 12 29.653 -1.791 26.066 1.00 17.55 H new ATOM 0 HD1 HIS A 12 32.003 -0.521 27.004 1.00 16.37 H new ATOM 0 HD2 HIS A 12 32.333 -3.679 24.748 1.00 15.33 H new ATOM 0 HE1 HIS A 12 34.180 -0.444 26.087 1.00 15.90 H new ATOM 100 N MET A 13 27.976 -3.654 28.763 1.00 18.41 N ATOM 101 CA MET A 13 26.552 -3.631 29.062 1.00 18.95 C ATOM 102 C MET A 13 26.316 -3.498 30.556 1.00 18.73 C ATOM 103 O MET A 13 26.871 -4.254 31.353 1.00 19.55 O ATOM 104 CB MET A 13 25.844 -4.876 28.532 1.00 18.73 C ATOM 105 CG MET A 13 25.739 -4.957 26.988 1.00 19.26 C ATOM 106 SD MET A 13 24.800 -3.598 26.260 1.00 21.60 S ATOM 107 CE MET A 13 23.207 -3.761 27.070 1.00 19.63 C ATOM 0 H MET A 13 28.377 -4.393 28.946 1.00 18.41 H new ATOM 0 HA MET A 13 26.178 -2.857 28.613 1.00 18.95 H new ATOM 0 HB2 MET A 13 26.314 -5.661 28.853 1.00 18.73 H new ATOM 0 HB3 MET A 13 24.950 -4.908 28.906 1.00 18.73 H new ATOM 0 HG2 MET A 13 26.632 -4.963 26.610 1.00 19.26 H new ATOM 0 HG3 MET A 13 25.321 -5.797 26.743 1.00 19.26 H new ATOM 0 HE1 MET A 13 22.536 -3.275 26.566 1.00 19.63 H new ATOM 0 HE2 MET A 13 22.961 -4.698 27.115 1.00 19.63 H new ATOM 0 HE3 MET A 13 23.262 -3.398 27.968 1.00 19.63 H new ATOM 108 N ASP A 14 25.481 -2.537 30.923 1.00 19.08 N ATOM 109 CA ASP A 14 24.979 -2.448 32.285 1.00 18.79 C ATOM 110 C ASP A 14 23.525 -1.999 32.295 1.00 18.65 C ATOM 111 O ASP A 14 23.220 -0.852 32.627 1.00 17.79 O ATOM 112 CB ASP A 14 25.824 -1.511 33.155 1.00 19.05 C ATOM 113 CG ASP A 14 25.384 -1.543 34.623 1.00 20.32 C ATOM 114 OD1 ASP A 14 24.667 -2.491 34.991 1.00 22.67 O ATOM 115 OD2 ASP A 14 25.730 -0.631 35.399 1.00 21.68 O ATOM 0 H ASP A 14 25.191 -1.923 30.395 1.00 19.08 H new ATOM 0 HA ASP A 14 25.041 -3.338 32.666 1.00 18.79 H new ATOM 0 HB2 ASP A 14 26.758 -1.766 33.092 1.00 19.05 H new ATOM 0 HB3 ASP A 14 25.754 -0.605 32.816 1.00 19.05 H new ATOM 116 N SER A 15 22.638 -2.922 31.945 1.00 19.09 N ATOM 117 CA SER A 15 21.203 -2.646 31.870 1.00 20.55 C ATOM 118 C SER A 15 20.548 -2.485 33.253 1.00 21.45 C ATOM 119 O SER A 15 19.364 -2.154 33.348 1.00 21.61 O ATOM 120 CB SER A 15 20.504 -3.763 31.092 1.00 20.19 C ATOM 121 OG SER A 15 21.154 -4.028 29.862 1.00 21.10 O ATOM 0 H SER A 15 22.849 -3.731 31.743 1.00 19.09 H new ATOM 0 HA SER A 15 21.101 -1.798 31.410 1.00 20.55 H new ATOM 0 HB2 SER A 15 20.486 -4.570 31.630 1.00 20.19 H new ATOM 0 HB3 SER A 15 19.582 -3.513 30.924 1.00 20.19 H new ATOM 0 HG SER A 15 21.138 -3.339 29.382 1.00 21.10 H new ATOM 122 N SER A 16 21.315 -2.701 34.320 1.00 22.89 N ATOM 123 CA SER A 16 20.760 -2.686 35.686 1.00 24.51 C ATOM 124 C SER A 16 20.354 -1.326 36.267 1.00 25.49 C ATOM 125 O SER A 16 19.504 -1.270 37.151 1.00 25.81 O ATOM 126 CB SER A 16 21.692 -3.411 36.659 1.00 24.53 C ATOM 127 OG SER A 16 21.601 -4.806 36.469 1.00 24.97 O ATOM 0 H SER A 16 22.160 -2.859 34.281 1.00 22.89 H new ATOM 0 HA SER A 16 19.918 -3.156 35.583 1.00 24.51 H new ATOM 0 HB2 SER A 16 22.606 -3.118 36.522 1.00 24.53 H new ATOM 0 HB3 SER A 16 21.456 -3.186 37.573 1.00 24.53 H new ATOM 0 HG SER A 16 22.116 -5.196 37.005 1.00 24.97 H new ATOM 128 N THR A 17 20.953 -0.240 35.781 1.00 26.95 N ATOM 129 CA THR A 17 20.640 1.105 36.289 1.00 28.13 C ATOM 130 C THR A 17 20.229 2.081 35.167 1.00 29.04 C ATOM 131 O THR A 17 20.601 1.887 34.008 1.00 28.94 O ATOM 132 CB THR A 17 21.804 1.675 37.150 1.00 28.39 C ATOM 133 OG1 THR A 17 21.404 2.908 37.765 1.00 29.04 O ATOM 134 CG2 THR A 17 23.073 1.894 36.308 1.00 27.90 C ATOM 0 H THR A 17 21.544 -0.256 35.157 1.00 26.95 H new ATOM 0 HA THR A 17 19.867 1.011 36.867 1.00 28.13 H new ATOM 0 HB THR A 17 22.011 1.024 37.839 1.00 28.39 H new ATOM 0 HG1 THR A 17 22.037 3.208 38.229 1.00 29.04 H new ATOM 0 HG21 THR A 17 23.778 2.249 36.872 1.00 27.90 H new ATOM 0 HG22 THR A 17 23.359 1.049 35.927 1.00 27.90 H new ATOM 0 HG23 THR A 17 22.883 2.523 35.594 1.00 27.90 H new ATOM 135 N SER A 18 19.457 3.112 35.522 1.00 30.04 N ATOM 136 CA SER A 18 18.937 4.084 34.546 1.00 31.14 C ATOM 137 C SER A 18 19.974 5.160 34.225 1.00 31.79 C ATOM 138 O SER A 18 20.229 5.467 33.055 1.00 31.76 O ATOM 139 CB SER A 18 17.622 4.707 35.031 1.00 31.07 C ATOM 140 OG SER A 18 16.541 3.797 34.882 1.00 31.47 O ATOM 0 H SER A 18 19.219 3.270 36.333 1.00 30.04 H new ATOM 0 HA SER A 18 18.751 3.603 33.724 1.00 31.14 H new ATOM 0 HB2 SER A 18 17.706 4.964 35.962 1.00 31.07 H new ATOM 0 HB3 SER A 18 17.439 5.516 34.529 1.00 31.07 H new ATOM 0 HG SER A 18 15.832 4.157 35.154 1.00 31.47 H new ATOM 141 N ALA A 19 20.544 5.749 35.272 1.00 32.78 N ATOM 142 CA ALA A 19 21.811 6.451 35.148 1.00 33.68 C ATOM 143 C ALA A 19 22.846 5.519 35.779 1.00 34.39 C ATOM 144 O ALA A 19 23.581 4.860 35.048 1.00 34.58 O ATOM 145 CB ALA A 19 21.772 7.814 35.814 1.00 33.73 C ATOM 0 H ALA A 19 20.210 5.752 36.064 1.00 32.78 H new ATOM 0 HA ALA A 19 22.029 6.643 34.222 1.00 33.68 H new ATOM 0 HB1 ALA A 19 22.632 8.250 35.710 1.00 33.73 H new ATOM 0 HB2 ALA A 19 21.083 8.357 35.400 1.00 33.73 H new ATOM 0 HB3 ALA A 19 21.576 7.708 36.758 1.00 33.73 H new ATOM 146 N ALA A 20 22.935 5.436 37.109 1.00 34.85 N ATOM 147 CA ALA A 20 22.462 6.426 38.078 1.00 35.61 C ATOM 148 C ALA A 20 23.737 6.648 38.871 1.00 35.78 C ATOM 149 O ALA A 20 23.751 6.722 40.106 1.00 36.63 O ATOM 150 CB ALA A 20 21.345 5.863 38.949 1.00 35.73 C ATOM 0 H ALA A 20 23.296 4.756 37.492 1.00 34.85 H new ATOM 0 HA ALA A 20 22.078 7.229 37.692 1.00 35.61 H new ATOM 0 HB1 ALA A 20 21.053 6.540 39.579 1.00 35.73 H new ATOM 0 HB2 ALA A 20 20.598 5.601 38.388 1.00 35.73 H new ATOM 0 HB3 ALA A 20 21.672 5.089 39.435 1.00 35.73 H new ATOM 151 N SER A 21 24.812 6.773 38.096 1.00 35.66 N ATOM 152 CA SER A 21 26.173 6.504 38.518 1.00 35.17 C ATOM 153 C SER A 21 26.673 7.374 39.660 1.00 34.82 C ATOM 154 O SER A 21 26.790 8.600 39.529 1.00 34.99 O ATOM 155 CB SER A 21 27.109 6.616 37.310 1.00 35.24 C ATOM 156 OG SER A 21 26.784 5.652 36.324 1.00 35.24 O ATOM 0 H SER A 21 24.760 7.028 37.276 1.00 35.66 H new ATOM 0 HA SER A 21 26.172 5.602 38.874 1.00 35.17 H new ATOM 0 HB2 SER A 21 27.046 7.506 36.930 1.00 35.24 H new ATOM 0 HB3 SER A 21 28.028 6.494 37.596 1.00 35.24 H new ATOM 0 HG SER A 21 27.097 5.893 35.583 1.00 35.24 H new ATOM 157 N SER A 22 26.953 6.723 40.786 1.00 33.96 N ATOM 158 CA SER A 22 27.650 7.368 41.887 1.00 33.26 C ATOM 159 C SER A 22 29.022 7.783 41.376 1.00 32.68 C ATOM 160 O SER A 22 29.492 7.246 40.370 1.00 32.75 O ATOM 161 CB SER A 22 27.770 6.422 43.091 1.00 33.26 C ATOM 162 OG SER A 22 28.768 5.425 42.909 1.00 33.59 O ATOM 0 H SER A 22 26.745 5.901 40.930 1.00 33.96 H new ATOM 0 HA SER A 22 27.156 8.145 42.192 1.00 33.26 H new ATOM 0 HB2 SER A 22 27.976 6.940 43.885 1.00 33.26 H new ATOM 0 HB3 SER A 22 26.914 5.993 43.247 1.00 33.26 H new ATOM 0 HG SER A 22 28.800 4.933 43.589 1.00 33.59 H new ATOM 163 N SER A 23 29.654 8.740 42.050 1.00 31.90 N ATOM 164 CA SER A 23 31.051 9.083 41.776 1.00 30.92 C ATOM 165 C SER A 23 31.961 7.849 41.844 1.00 30.13 C ATOM 166 O SER A 23 33.104 7.883 41.383 1.00 29.95 O ATOM 167 CB SER A 23 31.529 10.135 42.771 1.00 30.94 C ATOM 168 OG SER A 23 30.941 9.868 44.148 1.00 31.74 O ATOM 0 H SER A 23 29.290 9.206 42.674 1.00 31.90 H new ATOM 0 HA SER A 23 31.100 9.438 40.875 1.00 30.92 H new ATOM 0 HB2 SER A 23 32.498 10.126 42.819 1.00 30.94 H new ATOM 0 HB3 SER A 23 31.268 11.018 42.467 1.00 30.94 H new ATOM 0 HG SER A 23 31.561 9.710 44.692 1.00 31.74 H new ATOM 169 N ASN A 24 31.428 6.760 42.399 1.00 29.07 N ATOM 170 CA ASN A 24 32.182 5.528 42.647 1.00 28.58 C ATOM 171 C ASN A 24 31.915 4.422 41.618 1.00 27.55 C ATOM 172 O ASN A 24 32.592 3.391 41.612 1.00 26.50 O ATOM 173 CB ASN A 24 31.854 5.003 44.049 1.00 29.09 C ATOM 174 CG ASN A 24 33.082 4.485 44.795 1.00 30.84 C ATOM 175 OD1 ASN A 24 34.043 3.988 44.193 1.00 33.23 O ATOM 176 ND2 ASN A 24 33.049 4.597 46.119 1.00 31.29 N ATOM 0 H ASN A 24 30.605 6.715 42.646 1.00 29.07 H new ATOM 0 HA ASN A 24 33.121 5.760 42.569 1.00 28.58 H new ATOM 0 HB2 ASN A 24 31.443 5.713 44.567 1.00 29.09 H new ATOM 0 HB3 ASN A 24 31.201 4.290 43.977 1.00 29.09 H new ATOM 0 HD21 ASN A 24 33.712 4.319 46.591 1.00 31.29 H new ATOM 0 HD22 ASN A 24 32.365 4.948 46.504 1.00 31.29 H new ATOM 177 N TYR A 25 30.931 4.653 40.751 1.00 26.96 N ATOM 178 CA TYR A 25 30.450 3.641 39.811 1.00 26.48 C ATOM 179 C TYR A 25 31.568 2.923 39.043 1.00 26.08 C ATOM 180 O TYR A 25 31.632 1.689 39.032 1.00 26.43 O ATOM 181 CB TYR A 25 29.472 4.280 38.821 1.00 26.66 C ATOM 182 CG TYR A 25 28.975 3.336 37.760 1.00 26.34 C ATOM 183 CD1 TYR A 25 27.875 2.512 37.992 1.00 26.82 C ATOM 184 CD2 TYR A 25 29.613 3.261 36.517 1.00 25.74 C ATOM 185 CE1 TYR A 25 27.418 1.639 37.013 1.00 26.80 C ATOM 186 CE2 TYR A 25 29.173 2.401 35.545 1.00 26.19 C ATOM 187 CZ TYR A 25 28.072 1.597 35.784 1.00 26.25 C ATOM 188 OH TYR A 25 27.655 0.746 34.789 1.00 26.63 O ATOM 0 H TYR A 25 30.521 5.406 40.691 1.00 26.96 H new ATOM 0 HA TYR A 25 30.007 2.963 40.344 1.00 26.48 H new ATOM 0 HB2 TYR A 25 28.712 4.631 39.311 1.00 26.66 H new ATOM 0 HB3 TYR A 25 29.906 5.035 38.393 1.00 26.66 H new ATOM 0 HD1 TYR A 25 27.441 2.547 38.814 1.00 26.82 H new ATOM 0 HD2 TYR A 25 30.349 3.804 36.347 1.00 25.74 H new ATOM 0 HE1 TYR A 25 26.685 1.090 37.176 1.00 26.80 H new ATOM 0 HE2 TYR A 25 29.613 2.358 34.727 1.00 26.19 H new ATOM 0 HH TYR A 25 26.876 0.481 34.955 1.00 26.63 H new ATOM 189 N CYS A 26 32.431 3.704 38.396 1.00 25.59 N ATOM 190 CA CYS A 26 33.497 3.162 37.556 1.00 24.95 C ATOM 191 C CYS A 26 34.533 2.350 38.333 1.00 24.83 C ATOM 192 O CYS A 26 34.899 1.251 37.918 1.00 24.78 O ATOM 193 CB CYS A 26 34.165 4.269 36.749 1.00 24.46 C ATOM 194 SG CYS A 26 33.102 4.925 35.469 1.00 23.83 S ATOM 0 H CYS A 26 32.415 4.563 38.432 1.00 25.59 H new ATOM 0 HA CYS A 26 33.071 2.539 36.946 1.00 24.95 H new ATOM 0 HB2 CYS A 26 34.427 4.987 37.346 1.00 24.46 H new ATOM 0 HB3 CYS A 26 34.977 3.925 36.345 1.00 24.46 H new ATOM 195 N ASN A 27 34.986 2.874 39.468 1.00 24.64 N ATOM 196 CA ASN A 27 35.915 2.135 40.313 1.00 24.95 C ATOM 197 C ASN A 27 35.451 0.700 40.564 1.00 25.27 C ATOM 198 O ASN A 27 36.230 -0.244 40.437 1.00 25.27 O ATOM 199 CB ASN A 27 36.128 2.864 41.646 1.00 24.61 C ATOM 200 CG ASN A 27 36.959 4.119 41.499 1.00 25.02 C ATOM 201 OD1 ASN A 27 37.639 4.314 40.493 1.00 25.32 O ATOM 202 ND2 ASN A 27 36.925 4.974 42.519 1.00 25.80 N ATOM 0 H ASN A 27 34.769 3.651 39.765 1.00 24.64 H new ATOM 0 HA ASN A 27 36.759 2.089 39.836 1.00 24.95 H new ATOM 0 HB2 ASN A 27 35.266 3.094 42.026 1.00 24.61 H new ATOM 0 HB3 ASN A 27 36.563 2.264 42.272 1.00 24.61 H new ATOM 0 HD21 ASN A 27 37.391 5.696 42.490 1.00 25.80 H new ATOM 0 HD22 ASN A 27 36.437 4.804 43.207 1.00 25.80 H new ATOM 203 N GLN A 28 34.172 0.552 40.895 1.00 25.49 N ATOM 204 CA GLN A 28 33.596 -0.738 41.265 1.00 26.39 C ATOM 205 C GLN A 28 33.296 -1.599 40.047 1.00 26.08 C ATOM 206 O GLN A 28 33.536 -2.813 40.059 1.00 25.46 O ATOM 207 CB GLN A 28 32.330 -0.531 42.104 1.00 26.33 C ATOM 208 CG GLN A 28 32.537 0.396 43.298 1.00 27.79 C ATOM 209 CD GLN A 28 31.254 0.691 44.055 1.00 28.11 C ATOM 210 OE1 GLN A 28 30.153 0.420 43.568 1.00 32.21 O ATOM 211 NE2 GLN A 28 31.389 1.257 45.247 1.00 29.07 N ATOM 0 H GLN A 28 33.609 1.202 40.911 1.00 25.49 H new ATOM 0 HA GLN A 28 34.255 -1.212 41.796 1.00 26.39 H new ATOM 0 HB2 GLN A 28 31.631 -0.167 41.538 1.00 26.33 H new ATOM 0 HB3 GLN A 28 32.017 -1.392 42.422 1.00 26.33 H new ATOM 0 HG2 GLN A 28 33.179 -0.006 43.905 1.00 27.79 H new ATOM 0 HG3 GLN A 28 32.923 1.231 42.989 1.00 27.79 H new ATOM 0 HE21 GLN A 28 32.173 1.431 45.554 1.00 29.07 H new ATOM 0 HE22 GLN A 28 30.692 1.450 45.713 1.00 29.07 H new ATOM 212 N MET A 29 32.776 -0.964 38.995 1.00 26.09 N ATOM 213 CA MET A 29 32.408 -1.664 37.763 1.00 26.30 C ATOM 214 C MET A 29 33.599 -2.116 36.932 1.00 26.22 C ATOM 215 O MET A 29 33.573 -3.190 36.343 1.00 25.84 O ATOM 216 CB MET A 29 31.497 -0.798 36.886 1.00 26.57 C ATOM 217 CG MET A 29 30.045 -0.803 37.308 1.00 28.81 C ATOM 218 SD MET A 29 29.245 -2.410 37.103 1.00 33.65 S ATOM 219 CE MET A 29 28.932 -2.418 35.345 1.00 31.82 C ATOM 0 H MET A 29 32.627 -0.117 38.976 1.00 26.09 H new ATOM 0 HA MET A 29 31.939 -2.460 38.059 1.00 26.30 H new ATOM 0 HB2 MET A 29 31.824 0.115 36.900 1.00 26.57 H new ATOM 0 HB3 MET A 29 31.558 -1.108 35.969 1.00 26.57 H new ATOM 0 HG2 MET A 29 29.984 -0.535 38.238 1.00 28.81 H new ATOM 0 HG3 MET A 29 29.562 -0.140 36.790 1.00 28.81 H new ATOM 0 HE1 MET A 29 28.014 -2.685 35.181 1.00 31.82 H new ATOM 0 HE2 MET A 29 29.079 -1.529 34.986 1.00 31.82 H new ATOM 0 HE3 MET A 29 29.533 -3.044 34.912 1.00 31.82 H new ATOM 220 N MET A 30 34.625 -1.275 36.839 1.00 25.67 N ATOM 221 CA MET A 30 35.820 -1.655 36.090 1.00 25.82 C ATOM 222 C MET A 30 36.466 -2.897 36.724 1.00 25.93 C ATOM 223 O MET A 30 36.929 -3.790 36.020 1.00 26.29 O ATOM 224 CB MET A 30 36.811 -0.493 36.016 1.00 25.36 C ATOM 225 CG MET A 30 36.299 0.700 35.218 1.00 24.46 C ATOM 226 SD MET A 30 36.005 0.295 33.485 1.00 23.04 S ATOM 227 CE MET A 30 37.688 0.250 32.862 1.00 22.99 C ATOM 0 H MET A 30 34.651 -0.493 37.195 1.00 25.67 H new ATOM 0 HA MET A 30 35.561 -1.875 35.181 1.00 25.82 H new ATOM 0 HB2 MET A 30 37.024 -0.202 36.917 1.00 25.36 H new ATOM 0 HB3 MET A 30 37.637 -0.808 35.617 1.00 25.36 H new ATOM 0 HG2 MET A 30 35.475 1.022 35.616 1.00 24.46 H new ATOM 0 HG3 MET A 30 36.943 1.423 35.274 1.00 24.46 H new ATOM 0 HE1 MET A 30 37.708 -0.228 32.018 1.00 22.99 H new ATOM 0 HE2 MET A 30 38.008 1.156 32.728 1.00 22.99 H new ATOM 0 HE3 MET A 30 38.259 -0.202 33.503 1.00 22.99 H new ATOM 228 N LYS A 31 36.467 -2.958 38.051 1.00 26.60 N ATOM 229 CA LYS A 31 37.042 -4.099 38.756 1.00 26.58 C ATOM 230 C LYS A 31 36.198 -5.366 38.565 1.00 26.75 C ATOM 231 O LYS A 31 36.719 -6.416 38.173 1.00 26.71 O ATOM 232 CB LYS A 31 37.228 -3.780 40.247 1.00 26.97 C ATOM 233 CG LYS A 31 38.112 -4.775 40.984 1.00 28.31 C ATOM 234 CD LYS A 31 38.594 -4.226 42.319 1.00 29.92 C ATOM 235 CE LYS A 31 39.632 -5.145 42.943 1.00 31.22 C ATOM 236 NZ LYS A 31 40.044 -4.689 44.296 1.00 32.18 N ATOM 0 H LYS A 31 36.140 -2.349 38.563 1.00 26.60 H new ATOM 0 HA LYS A 31 37.915 -4.273 38.371 1.00 26.58 H new ATOM 0 HB2 LYS A 31 37.612 -2.893 40.334 1.00 26.97 H new ATOM 0 HB3 LYS A 31 36.358 -3.755 40.675 1.00 26.97 H new ATOM 0 HG2 LYS A 31 37.619 -5.597 41.132 1.00 28.31 H new ATOM 0 HG3 LYS A 31 38.877 -4.998 40.431 1.00 28.31 H new ATOM 0 HD2 LYS A 31 38.974 -3.343 42.191 1.00 29.92 H new ATOM 0 HD3 LYS A 31 37.841 -4.126 42.922 1.00 29.92 H new ATOM 0 HE2 LYS A 31 39.272 -6.044 43.002 1.00 31.22 H new ATOM 0 HE3 LYS A 31 40.411 -5.189 42.367 1.00 31.22 H new ATOM 0 HZ1 LYS A 31 40.650 -5.250 44.627 1.00 32.18 H new ATOM 0 HZ2 LYS A 31 40.395 -3.873 44.240 1.00 32.18 H new ATOM 0 HZ3 LYS A 31 39.334 -4.670 44.832 1.00 32.18 H new ATOM 237 N SER A 32 34.899 -5.257 38.832 1.00 26.40 N ATOM 238 CA SER A 32 34.021 -6.425 38.843 1.00 26.24 C ATOM 239 C SER A 32 33.824 -7.049 37.465 1.00 25.86 C ATOM 240 O SER A 32 33.642 -8.263 37.359 1.00 25.74 O ATOM 241 CB SER A 32 32.672 -6.096 39.483 1.00 26.38 C ATOM 242 OG SER A 32 32.012 -5.070 38.781 1.00 26.82 O ATOM 0 H SER A 32 34.505 -4.513 39.010 1.00 26.40 H new ATOM 0 HA SER A 32 34.473 -7.091 39.385 1.00 26.24 H new ATOM 0 HB2 SER A 32 32.116 -6.891 39.498 1.00 26.38 H new ATOM 0 HB3 SER A 32 32.806 -5.826 40.405 1.00 26.38 H new ATOM 0 HG SER A 32 32.228 -4.325 39.104 1.00 26.82 H new ATOM 243 N ARG A 33 33.860 -6.218 36.420 1.00 25.59 N ATOM 244 CA ARG A 33 33.801 -6.704 35.039 1.00 25.10 C ATOM 245 C ARG A 33 35.177 -7.138 34.518 1.00 25.65 C ATOM 246 O ARG A 33 35.339 -7.431 33.328 1.00 25.35 O ATOM 247 CB ARG A 33 33.158 -5.661 34.107 1.00 24.78 C ATOM 248 CG ARG A 33 31.726 -5.272 34.482 1.00 23.31 C ATOM 249 CD ARG A 33 30.777 -6.482 34.531 1.00 20.05 C ATOM 250 NE ARG A 33 29.384 -6.074 34.724 1.00 20.80 N ATOM 251 CZ ARG A 33 28.601 -5.597 33.753 1.00 21.44 C ATOM 252 NH1 ARG A 33 29.067 -5.477 32.512 1.00 22.14 N ATOM 253 NH2 ARG A 33 27.346 -5.248 34.015 1.00 21.30 N ATOM 0 H ARG A 33 33.919 -5.363 36.491 1.00 25.59 H new ATOM 0 HA ARG A 33 33.237 -7.493 35.042 1.00 25.10 H new ATOM 0 HB2 ARG A 33 33.708 -4.862 34.106 1.00 24.78 H new ATOM 0 HB3 ARG A 33 33.160 -6.008 33.201 1.00 24.78 H new ATOM 0 HG2 ARG A 33 31.730 -4.833 35.347 1.00 23.31 H new ATOM 0 HG3 ARG A 33 31.391 -4.628 33.839 1.00 23.31 H new ATOM 0 HD2 ARG A 33 30.855 -6.987 33.707 1.00 20.05 H new ATOM 0 HD3 ARG A 33 31.044 -7.073 35.252 1.00 20.05 H new ATOM 0 HE ARG A 33 29.049 -6.146 35.513 1.00 20.80 H new ATOM 0 HH11 ARG A 33 29.876 -5.707 32.332 1.00 22.14 H new ATOM 0 HH12 ARG A 33 28.559 -5.169 31.890 1.00 22.14 H new ATOM 0 HH21 ARG A 33 27.035 -5.329 34.813 1.00 21.30 H new ATOM 0 HH22 ARG A 33 26.845 -4.941 33.387 1.00 21.30 H new ATOM 254 N ASN A 34 36.156 -7.183 35.423 1.00 26.43 N ATOM 255 CA ASN A 34 37.500 -7.685 35.133 1.00 27.01 C ATOM 256 C ASN A 34 38.295 -6.864 34.126 1.00 26.97 C ATOM 257 O ASN A 34 39.084 -7.405 33.349 1.00 27.22 O ATOM 258 CB ASN A 34 37.442 -9.160 34.726 1.00 27.35 C ATOM 259 CG ASN A 34 37.084 -10.061 35.887 1.00 28.85 C ATOM 260 OD1 ASN A 34 36.060 -10.745 35.863 1.00 32.98 O ATOM 261 ND2 ASN A 34 37.913 -10.049 36.923 1.00 29.63 N ATOM 0 H ASN A 34 36.056 -6.918 36.235 1.00 26.43 H new ATOM 0 HA ASN A 34 37.994 -7.592 35.963 1.00 27.01 H new ATOM 0 HB2 ASN A 34 36.789 -9.273 34.018 1.00 27.35 H new ATOM 0 HB3 ASN A 34 38.301 -9.428 34.364 1.00 27.35 H new ATOM 0 HD21 ASN A 34 37.744 -10.532 37.614 1.00 29.63 H new ATOM 0 HD22 ASN A 34 38.619 -9.558 36.903 1.00 29.63 H new ATOM 262 N LEU A 35 38.090 -5.551 34.156 1.00 26.78 N ATOM 263 CA LEU A 35 38.787 -4.653 33.247 1.00 26.88 C ATOM 264 C LEU A 35 40.005 -4.019 33.914 1.00 26.89 C ATOM 265 O LEU A 35 40.660 -3.161 33.327 1.00 27.66 O ATOM 266 CB LEU A 35 37.822 -3.593 32.693 1.00 26.54 C ATOM 267 CG LEU A 35 36.510 -4.178 32.152 1.00 25.67 C ATOM 268 CD1 LEU A 35 35.687 -3.108 31.490 1.00 24.59 C ATOM 269 CD2 LEU A 35 36.796 -5.301 31.172 1.00 26.55 C ATOM 0 H LEU A 35 37.549 -5.160 34.698 1.00 26.78 H new ATOM 0 HA LEU A 35 39.117 -5.174 32.498 1.00 26.88 H new ATOM 0 HB2 LEU A 35 37.618 -2.955 33.394 1.00 26.54 H new ATOM 0 HB3 LEU A 35 38.265 -3.102 31.983 1.00 26.54 H new ATOM 0 HG LEU A 35 36.005 -4.537 32.899 1.00 25.67 H new ATOM 0 HD11 LEU A 35 34.863 -3.494 31.154 1.00 24.59 H new ATOM 0 HD12 LEU A 35 35.479 -2.414 32.135 1.00 24.59 H new ATOM 0 HD13 LEU A 35 36.187 -2.724 30.753 1.00 24.59 H new ATOM 0 HD21 LEU A 35 35.959 -5.661 30.839 1.00 26.55 H new ATOM 0 HD22 LEU A 35 37.318 -4.958 30.430 1.00 26.55 H new ATOM 0 HD23 LEU A 35 37.294 -6.003 31.620 1.00 26.55 H new ATOM 270 N THR A 36 40.313 -4.460 35.134 1.00 27.23 N ATOM 271 CA THR A 36 41.508 -4.003 35.861 1.00 26.93 C ATOM 272 C THR A 36 42.454 -5.166 36.236 1.00 26.89 C ATOM 273 O THR A 36 43.301 -5.034 37.125 1.00 26.69 O ATOM 274 CB THR A 36 41.136 -3.175 37.125 1.00 27.11 C ATOM 275 OG1 THR A 36 40.424 -3.995 38.061 1.00 27.71 O ATOM 276 CG2 THR A 36 40.284 -1.954 36.760 1.00 27.50 C ATOM 0 H THR A 36 39.838 -5.032 35.566 1.00 27.23 H new ATOM 0 HA THR A 36 41.987 -3.423 35.249 1.00 26.93 H new ATOM 0 HB THR A 36 41.961 -2.863 37.528 1.00 27.11 H new ATOM 0 HG1 THR A 36 40.208 -4.718 37.692 1.00 27.71 H new ATOM 0 HG21 THR A 36 40.068 -1.458 37.565 1.00 27.50 H new ATOM 0 HG22 THR A 36 40.780 -1.383 36.152 1.00 27.50 H new ATOM 0 HG23 THR A 36 39.465 -2.247 36.331 1.00 27.50 H new ATOM 277 N LYS A 37 42.323 -6.284 35.520 1.00 26.77 N ATOM 278 CA LYS A 37 42.980 -7.553 35.864 1.00 26.86 C ATOM 279 C LYS A 37 44.456 -7.603 35.459 1.00 26.45 C ATOM 280 O LYS A 37 45.321 -7.958 36.272 1.00 26.50 O ATOM 281 CB LYS A 37 42.212 -8.710 35.207 1.00 27.04 C ATOM 282 CG LYS A 37 41.942 -9.908 36.098 1.00 28.37 C ATOM 283 CD LYS A 37 42.880 -11.065 35.791 1.00 29.98 C ATOM 284 CE LYS A 37 42.219 -12.406 36.103 1.00 30.87 C ATOM 285 NZ LYS A 37 43.138 -13.557 35.860 1.00 31.41 N ATOM 0 H LYS A 37 41.842 -6.329 34.808 1.00 26.77 H new ATOM 0 HA LYS A 37 42.962 -7.634 36.830 1.00 26.86 H new ATOM 0 HB2 LYS A 37 41.363 -8.371 34.883 1.00 27.04 H new ATOM 0 HB3 LYS A 37 42.712 -9.010 34.432 1.00 27.04 H new ATOM 0 HG2 LYS A 37 42.042 -9.649 37.027 1.00 28.37 H new ATOM 0 HG3 LYS A 37 41.023 -10.197 35.981 1.00 28.37 H new ATOM 0 HD2 LYS A 37 43.137 -11.038 34.856 1.00 29.98 H new ATOM 0 HD3 LYS A 37 43.693 -10.973 36.312 1.00 29.98 H new ATOM 0 HE2 LYS A 37 41.930 -12.415 37.029 1.00 30.87 H new ATOM 0 HE3 LYS A 37 41.424 -12.508 35.557 1.00 30.87 H new ATOM 0 HZ1 LYS A 37 42.718 -14.318 36.052 1.00 31.41 H new ATOM 0 HZ2 LYS A 37 43.386 -13.563 35.005 1.00 31.41 H new ATOM 0 HZ3 LYS A 37 43.858 -13.477 36.377 1.00 31.41 H new ATOM 286 N ASP A 38 44.733 -7.255 34.203 1.00 26.12 N ATOM 287 CA ASP A 38 46.084 -7.306 33.644 1.00 25.83 C ATOM 288 C ASP A 38 46.724 -5.918 33.577 1.00 25.25 C ATOM 289 O ASP A 38 47.949 -5.784 33.530 1.00 24.94 O ATOM 290 CB ASP A 38 46.058 -7.937 32.250 1.00 26.15 C ATOM 291 CG ASP A 38 45.618 -9.395 32.267 1.00 27.55 C ATOM 292 OD1 ASP A 38 45.876 -10.101 33.268 1.00 29.28 O ATOM 293 OD2 ASP A 38 45.022 -9.842 31.263 1.00 29.07 O ATOM 0 H ASP A 38 44.137 -6.980 33.647 1.00 26.12 H new ATOM 0 HA ASP A 38 46.624 -7.853 34.236 1.00 25.83 H new ATOM 0 HB2 ASP A 38 45.458 -7.430 31.682 1.00 26.15 H new ATOM 0 HB3 ASP A 38 46.942 -7.875 31.856 1.00 26.15 H new ATOM 294 N ARG A 39 45.868 -4.900 33.552 1.00 24.62 N ATOM 295 CA ARG A 39 46.257 -3.500 33.590 1.00 24.28 C ATOM 296 C ARG A 39 45.011 -2.696 33.953 1.00 23.24 C ATOM 297 O ARG A 39 43.923 -3.260 34.074 1.00 23.06 O ATOM 298 CB ARG A 39 46.863 -3.048 32.248 1.00 24.26 C ATOM 299 CG ARG A 39 45.878 -2.782 31.106 1.00 25.42 C ATOM 300 CD ARG A 39 46.641 -2.438 29.828 1.00 25.99 C ATOM 301 NE ARG A 39 45.974 -1.423 29.010 1.00 30.56 N ATOM 302 CZ ARG A 39 45.045 -1.672 28.088 1.00 31.77 C ATOM 303 NH1 ARG A 39 44.518 -0.672 27.399 1.00 32.95 N ATOM 304 NH2 ARG A 39 44.638 -2.913 27.850 1.00 33.22 N ATOM 0 H ARG A 39 45.016 -5.013 33.511 1.00 24.62 H new ATOM 0 HA ARG A 39 46.951 -3.356 34.253 1.00 24.28 H new ATOM 0 HB2 ARG A 39 47.373 -2.238 32.403 1.00 24.26 H new ATOM 0 HB3 ARG A 39 47.491 -3.727 31.955 1.00 24.26 H new ATOM 0 HG2 ARG A 39 45.322 -3.563 30.960 1.00 25.42 H new ATOM 0 HG3 ARG A 39 45.285 -2.052 31.344 1.00 25.42 H new ATOM 0 HD2 ARG A 39 47.528 -2.123 30.063 1.00 25.99 H new ATOM 0 HD3 ARG A 39 46.757 -3.244 29.301 1.00 25.99 H new ATOM 0 HE ARG A 39 46.199 -0.602 29.134 1.00 30.56 H new ATOM 0 HH11 ARG A 39 44.776 0.135 27.547 1.00 32.95 H new ATOM 0 HH12 ARG A 39 43.918 -0.829 26.803 1.00 32.95 H new ATOM 0 HH21 ARG A 39 44.975 -3.568 28.293 1.00 33.22 H new ATOM 0 HH22 ARG A 39 44.038 -3.061 27.252 1.00 33.22 H new ATOM 305 N CYS A 40 45.159 -1.392 34.146 1.00 22.00 N ATOM 306 CA CYS A 40 43.984 -0.539 34.240 1.00 20.99 C ATOM 307 C CYS A 40 43.552 -0.205 32.816 1.00 20.42 C ATOM 308 O CYS A 40 44.251 0.535 32.118 1.00 20.43 O ATOM 309 CB CYS A 40 44.290 0.745 35.015 1.00 21.00 C ATOM 310 SG CYS A 40 45.021 0.532 36.671 1.00 20.80 S ATOM 0 H CYS A 40 45.914 -0.988 34.224 1.00 22.00 H new ATOM 0 HA CYS A 40 43.278 -0.999 34.720 1.00 20.99 H new ATOM 0 HB2 CYS A 40 44.894 1.286 34.482 1.00 21.00 H new ATOM 0 HB3 CYS A 40 43.466 1.248 35.108 1.00 21.00 H new ATOM 311 N LYS A 41 42.432 -0.769 32.360 1.00 19.57 N ATOM 312 CA LYS A 41 41.891 -0.341 31.072 1.00 18.85 C ATOM 313 C LYS A 41 41.665 1.167 31.199 1.00 18.33 C ATOM 314 O LYS A 41 40.959 1.601 32.099 1.00 18.14 O ATOM 315 CB LYS A 41 40.596 -1.072 30.709 1.00 18.82 C ATOM 316 CG LYS A 41 40.160 -0.817 29.272 1.00 18.95 C ATOM 317 CD LYS A 41 38.981 -1.658 28.858 1.00 20.03 C ATOM 318 CE LYS A 41 38.491 -1.219 27.483 1.00 21.53 C ATOM 319 NZ LYS A 41 37.393 -2.076 26.996 1.00 21.66 N ATOM 0 H LYS A 41 41.984 -1.381 32.766 1.00 19.57 H new ATOM 0 HA LYS A 41 42.507 -0.553 30.353 1.00 18.85 H new ATOM 0 HB2 LYS A 41 40.719 -2.025 30.841 1.00 18.82 H new ATOM 0 HB3 LYS A 41 39.890 -0.791 31.312 1.00 18.82 H new ATOM 0 HG2 LYS A 41 39.934 0.121 29.169 1.00 18.95 H new ATOM 0 HG3 LYS A 41 40.904 -0.997 28.677 1.00 18.95 H new ATOM 0 HD2 LYS A 41 39.233 -2.595 28.837 1.00 20.03 H new ATOM 0 HD3 LYS A 41 38.267 -1.571 29.508 1.00 20.03 H new ATOM 0 HE2 LYS A 41 38.189 -0.298 27.526 1.00 21.53 H new ATOM 0 HE3 LYS A 41 39.228 -1.247 26.853 1.00 21.53 H new ATOM 0 HZ1 LYS A 41 37.267 -1.932 26.127 1.00 21.66 H new ATOM 0 HZ2 LYS A 41 37.603 -2.931 27.127 1.00 21.66 H new ATOM 0 HZ3 LYS A 41 36.646 -1.883 27.440 1.00 21.66 H new ATOM 320 N PRO A 42 42.303 1.966 30.331 1.00 18.21 N ATOM 321 CA PRO A 42 42.296 3.418 30.536 1.00 17.57 C ATOM 322 C PRO A 42 40.945 4.095 30.301 1.00 16.90 C ATOM 323 O PRO A 42 40.616 5.044 31.013 1.00 16.33 O ATOM 324 CB PRO A 42 43.351 3.930 29.550 1.00 18.13 C ATOM 325 CG PRO A 42 43.502 2.873 28.540 1.00 18.47 C ATOM 326 CD PRO A 42 43.065 1.568 29.134 1.00 18.34 C ATOM 0 HA PRO A 42 42.484 3.629 31.464 1.00 17.57 H new ATOM 0 HB2 PRO A 42 43.070 4.764 29.142 1.00 18.13 H new ATOM 0 HB3 PRO A 42 44.192 4.104 30.000 1.00 18.13 H new ATOM 0 HG2 PRO A 42 42.970 3.080 27.756 1.00 18.47 H new ATOM 0 HG3 PRO A 42 44.426 2.817 28.249 1.00 18.47 H new ATOM 0 HD2 PRO A 42 42.517 1.061 28.515 1.00 18.34 H new ATOM 0 HD3 PRO A 42 43.824 1.009 29.364 1.00 18.34 H new ATOM 327 N VAL A 43 40.184 3.620 29.311 1.00 15.76 N ATOM 328 CA VAL A 43 38.848 4.160 29.010 1.00 14.98 C ATOM 329 C VAL A 43 37.897 3.010 28.717 1.00 15.02 C ATOM 330 O VAL A 43 38.259 2.079 27.988 1.00 15.05 O ATOM 331 CB VAL A 43 38.848 5.115 27.777 1.00 15.09 C ATOM 332 CG1 VAL A 43 37.444 5.715 27.533 1.00 14.46 C ATOM 333 CG2 VAL A 43 39.890 6.215 27.923 1.00 15.11 C ATOM 0 H VAL A 43 40.425 2.976 28.794 1.00 15.76 H new ATOM 0 HA VAL A 43 38.567 4.669 29.786 1.00 14.98 H new ATOM 0 HB VAL A 43 39.086 4.584 27.001 1.00 15.09 H new ATOM 0 HG11 VAL A 43 37.473 6.303 26.762 1.00 14.46 H new ATOM 0 HG12 VAL A 43 36.810 4.999 27.369 1.00 14.46 H new ATOM 0 HG13 VAL A 43 37.167 6.219 28.314 1.00 14.46 H new ATOM 0 HG21 VAL A 43 39.865 6.790 27.142 1.00 15.11 H new ATOM 0 HG22 VAL A 43 39.699 6.739 28.717 1.00 15.11 H new ATOM 0 HG23 VAL A 43 40.771 5.818 28.003 1.00 15.11 H new ATOM 334 N ASN A 44 36.685 3.081 29.270 1.00 14.35 N ATOM 335 CA ASN A 44 35.645 2.088 28.977 1.00 14.27 C ATOM 336 C ASN A 44 34.253 2.661 29.184 1.00 14.34 C ATOM 337 O ASN A 44 34.011 3.359 30.167 1.00 15.20 O ATOM 338 CB ASN A 44 35.842 0.847 29.852 1.00 14.13 C ATOM 339 CG ASN A 44 34.953 -0.295 29.451 1.00 15.00 C ATOM 340 OD1 ASN A 44 35.257 -1.033 28.505 1.00 15.36 O ATOM 341 ND2 ASN A 44 33.862 -0.475 30.183 1.00 14.09 N ATOM 0 H ASN A 44 36.443 3.697 29.819 1.00 14.35 H new ATOM 0 HA ASN A 44 35.726 1.838 28.043 1.00 14.27 H new ATOM 0 HB2 ASN A 44 36.768 0.564 29.800 1.00 14.13 H new ATOM 0 HB3 ASN A 44 35.667 1.078 30.778 1.00 14.13 H new ATOM 0 HD21 ASN A 44 33.330 -1.128 30.008 1.00 14.09 H new ATOM 0 HD22 ASN A 44 33.687 0.061 30.832 1.00 14.09 H new ATOM 342 N THR A 45 33.340 2.353 28.270 1.00 13.66 N ATOM 343 CA THR A 45 31.964 2.858 28.339 1.00 13.30 C ATOM 344 C THR A 45 30.986 1.735 28.681 1.00 13.06 C ATOM 345 O THR A 45 31.053 0.658 28.095 1.00 13.76 O ATOM 346 CB THR A 45 31.560 3.523 27.005 1.00 13.17 C ATOM 347 OG1 THR A 45 32.484 4.585 26.713 1.00 14.12 O ATOM 348 CG2 THR A 45 30.112 4.084 27.066 1.00 13.22 C ATOM 0 H THR A 45 33.496 1.847 27.592 1.00 13.66 H new ATOM 0 HA THR A 45 31.927 3.523 29.044 1.00 13.30 H new ATOM 0 HB THR A 45 31.587 2.853 26.304 1.00 13.17 H new ATOM 0 HG1 THR A 45 32.947 4.377 26.044 1.00 14.12 H new ATOM 0 HG21 THR A 45 29.888 4.494 26.216 1.00 13.22 H new ATOM 0 HG22 THR A 45 29.492 3.361 27.249 1.00 13.22 H new ATOM 0 HG23 THR A 45 30.051 4.748 27.771 1.00 13.22 H new ATOM 349 N PHE A 46 30.085 2.006 29.627 1.00 12.86 N ATOM 350 CA PHE A 46 28.984 1.113 29.959 1.00 13.44 C ATOM 351 C PHE A 46 27.691 1.722 29.446 1.00 13.72 C ATOM 352 O PHE A 46 27.461 2.920 29.615 1.00 14.14 O ATOM 353 CB PHE A 46 28.905 0.904 31.480 1.00 13.49 C ATOM 354 CG PHE A 46 30.058 0.104 32.038 1.00 13.72 C ATOM 355 CD1 PHE A 46 30.107 -1.282 31.873 1.00 13.49 C ATOM 356 CD2 PHE A 46 31.095 0.737 32.722 1.00 12.83 C ATOM 357 CE1 PHE A 46 31.174 -2.027 32.368 1.00 12.81 C ATOM 358 CE2 PHE A 46 32.161 0.000 33.233 1.00 12.76 C ATOM 359 CZ PHE A 46 32.206 -1.379 33.055 1.00 13.79 C ATOM 0 H PHE A 46 30.100 2.725 30.098 1.00 12.86 H new ATOM 0 HA PHE A 46 29.128 0.249 29.542 1.00 13.44 H new ATOM 0 HB2 PHE A 46 28.879 1.769 31.917 1.00 13.49 H new ATOM 0 HB3 PHE A 46 28.074 0.453 31.695 1.00 13.49 H new ATOM 0 HD1 PHE A 46 29.416 -1.714 31.425 1.00 13.49 H new ATOM 0 HD2 PHE A 46 31.075 1.659 32.838 1.00 12.83 H new ATOM 0 HE1 PHE A 46 31.200 -2.948 32.243 1.00 12.81 H new ATOM 0 HE2 PHE A 46 32.844 0.431 33.694 1.00 12.76 H new ATOM 0 HZ PHE A 46 32.921 -1.869 33.392 1.00 13.79 H new ATOM 360 N VAL A 47 26.857 0.896 28.817 1.00 14.42 N ATOM 361 CA VAL A 47 25.601 1.339 28.228 1.00 14.76 C ATOM 362 C VAL A 47 24.432 0.853 29.065 1.00 15.43 C ATOM 363 O VAL A 47 24.294 -0.343 29.283 1.00 15.89 O ATOM 364 CB VAL A 47 25.438 0.805 26.774 1.00 14.93 C ATOM 365 CG1 VAL A 47 24.143 1.305 26.143 1.00 14.81 C ATOM 366 CG2 VAL A 47 26.644 1.218 25.914 1.00 13.46 C ATOM 0 H VAL A 47 27.008 0.055 28.721 1.00 14.42 H new ATOM 0 HA VAL A 47 25.613 2.309 28.206 1.00 14.76 H new ATOM 0 HB VAL A 47 25.397 -0.163 26.815 1.00 14.93 H new ATOM 0 HG11 VAL A 47 24.068 0.958 25.240 1.00 14.81 H new ATOM 0 HG12 VAL A 47 23.388 1.001 26.670 1.00 14.81 H new ATOM 0 HG13 VAL A 47 24.149 2.275 26.117 1.00 14.81 H new ATOM 0 HG21 VAL A 47 26.530 0.879 25.012 1.00 13.46 H new ATOM 0 HG22 VAL A 47 26.708 2.186 25.890 1.00 13.46 H new ATOM 0 HG23 VAL A 47 27.456 0.850 26.297 1.00 13.46 H new ATOM 367 N HIS A 48 23.604 1.796 29.521 1.00 16.54 N ATOM 368 CA HIS A 48 22.440 1.508 30.369 1.00 17.39 C ATOM 369 C HIS A 48 21.179 1.481 29.525 1.00 17.72 C ATOM 370 O HIS A 48 20.307 2.349 29.642 1.00 18.12 O ATOM 371 CB HIS A 48 22.300 2.556 31.475 1.00 17.85 C ATOM 372 CG HIS A 48 23.580 2.848 32.190 1.00 18.62 C ATOM 373 ND1 HIS A 48 24.182 1.943 33.035 1.00 20.61 N ATOM 374 CD2 HIS A 48 24.382 3.939 32.172 1.00 19.90 C ATOM 375 CE1 HIS A 48 25.291 2.471 33.523 1.00 21.29 C ATOM 376 NE2 HIS A 48 25.435 3.682 33.015 1.00 20.75 N ATOM 0 H HIS A 48 23.703 2.632 29.345 1.00 16.54 H new ATOM 0 HA HIS A 48 22.571 0.640 30.782 1.00 17.39 H new ATOM 0 HB2 HIS A 48 21.959 3.378 31.089 1.00 17.85 H new ATOM 0 HB3 HIS A 48 21.642 2.250 32.118 1.00 17.85 H new ATOM 0 HD1 HIS A 48 23.883 1.157 33.217 1.00 20.61 H new ATOM 0 HD2 HIS A 48 24.245 4.717 31.681 1.00 19.90 H new ATOM 0 HE1 HIS A 48 25.871 2.060 34.122 1.00 21.29 H new ATOM 0 HE2 HIS A 48 26.083 4.222 33.185 1.00 20.75 H new ATOM 377 N GLU A 49 21.124 0.501 28.635 1.00 17.74 N ATOM 378 CA GLU A 49 19.950 0.237 27.830 1.00 17.77 C ATOM 379 C GLU A 49 19.794 -1.268 27.810 1.00 17.58 C ATOM 380 O GLU A 49 20.708 -1.988 28.217 1.00 17.81 O ATOM 381 CB GLU A 49 20.135 0.776 26.401 1.00 17.98 C ATOM 382 CG GLU A 49 20.379 2.283 26.301 1.00 18.99 C ATOM 383 CD GLU A 49 19.219 3.143 26.792 1.00 21.15 C ATOM 384 OE1 GLU A 49 18.095 2.626 26.982 1.00 22.64 O ATOM 385 OE2 GLU A 49 19.443 4.356 26.994 1.00 20.53 O ATOM 0 H GLU A 49 21.778 -0.035 28.482 1.00 17.74 H new ATOM 0 HA GLU A 49 19.165 0.675 28.196 1.00 17.77 H new ATOM 0 HB2 GLU A 49 20.882 0.314 25.990 1.00 17.98 H new ATOM 0 HB3 GLU A 49 19.345 0.555 25.883 1.00 17.98 H new ATOM 0 HG2 GLU A 49 21.172 2.506 26.813 1.00 18.99 H new ATOM 0 HG3 GLU A 49 20.566 2.509 25.376 1.00 18.99 H new ATOM 386 N SER A 50 18.641 -1.744 27.350 1.00 17.36 N ATOM 387 CA SER A 50 18.380 -3.171 27.259 1.00 17.21 C ATOM 388 C SER A 50 19.326 -3.802 26.247 1.00 17.33 C ATOM 389 O SER A 50 19.763 -3.150 25.292 1.00 16.74 O ATOM 390 CB SER A 50 16.926 -3.430 26.856 1.00 17.33 C ATOM 391 OG SER A 50 16.714 -3.138 25.481 1.00 16.32 O ATOM 0 H SER A 50 17.991 -1.248 27.083 1.00 17.36 H new ATOM 0 HA SER A 50 18.530 -3.571 28.130 1.00 17.21 H new ATOM 0 HB2 SER A 50 16.699 -4.357 27.031 1.00 17.33 H new ATOM 0 HB3 SER A 50 16.335 -2.886 27.400 1.00 17.33 H new ATOM 0 HG SER A 50 15.912 -3.289 25.283 1.00 16.32 H new ATOM 392 N LEU A 51 19.662 -5.069 26.466 1.00 17.71 N ATOM 393 CA LEU A 51 20.470 -5.800 25.497 1.00 17.80 C ATOM 394 C LEU A 51 19.826 -5.778 24.106 1.00 17.59 C ATOM 395 O LEU A 51 20.510 -5.555 23.115 1.00 17.15 O ATOM 396 CB LEU A 51 20.705 -7.242 25.956 1.00 18.15 C ATOM 397 CG LEU A 51 21.606 -8.096 25.054 1.00 18.51 C ATOM 398 CD1 LEU A 51 23.013 -7.493 24.883 1.00 18.87 C ATOM 399 CD2 LEU A 51 21.682 -9.511 25.588 1.00 18.46 C ATOM 0 H LEU A 51 19.435 -5.520 27.162 1.00 17.71 H new ATOM 0 HA LEU A 51 21.329 -5.354 25.437 1.00 17.80 H new ATOM 0 HB2 LEU A 51 21.094 -7.221 26.844 1.00 18.15 H new ATOM 0 HB3 LEU A 51 19.844 -7.682 26.034 1.00 18.15 H new ATOM 0 HG LEU A 51 21.205 -8.110 24.171 1.00 18.51 H new ATOM 0 HD11 LEU A 51 23.543 -8.066 24.307 1.00 18.87 H new ATOM 0 HD12 LEU A 51 22.941 -6.612 24.484 1.00 18.87 H new ATOM 0 HD13 LEU A 51 23.442 -7.421 25.750 1.00 18.87 H new ATOM 0 HD21 LEU A 51 22.253 -10.044 25.013 1.00 18.46 H new ATOM 0 HD22 LEU A 51 22.049 -9.499 26.486 1.00 18.46 H new ATOM 0 HD23 LEU A 51 20.793 -9.898 25.608 1.00 18.46 H new ATOM 400 N ALA A 52 18.517 -6.015 24.037 1.00 17.61 N ATOM 401 CA ALA A 52 17.798 -5.938 22.766 1.00 17.39 C ATOM 402 C ALA A 52 18.027 -4.600 22.063 1.00 17.08 C ATOM 403 O ALA A 52 18.294 -4.572 20.860 1.00 17.13 O ATOM 404 CB ALA A 52 16.307 -6.198 22.968 1.00 17.65 C ATOM 0 H ALA A 52 18.027 -6.222 24.713 1.00 17.61 H new ATOM 0 HA ALA A 52 18.154 -6.632 22.190 1.00 17.39 H new ATOM 0 HB1 ALA A 52 15.850 -6.142 22.114 1.00 17.65 H new ATOM 0 HB2 ALA A 52 16.181 -7.083 23.345 1.00 17.65 H new ATOM 0 HB3 ALA A 52 15.942 -5.534 23.574 1.00 17.65 H new ATOM 405 N ASP A 53 17.944 -3.502 22.815 1.00 16.57 N ATOM 406 CA ASP A 53 18.136 -2.156 22.260 1.00 16.76 C ATOM 407 C ASP A 53 19.538 -1.939 21.693 1.00 16.67 C ATOM 408 O ASP A 53 19.698 -1.336 20.624 1.00 16.76 O ATOM 409 CB ASP A 53 17.817 -1.074 23.301 1.00 16.71 C ATOM 410 CG ASP A 53 16.330 -0.754 23.382 1.00 17.63 C ATOM 411 OD1 ASP A 53 15.529 -1.395 22.671 1.00 20.32 O ATOM 412 OD2 ASP A 53 15.958 0.150 24.156 1.00 20.54 O ATOM 0 H ASP A 53 17.776 -3.514 23.658 1.00 16.57 H new ATOM 0 HA ASP A 53 17.512 -2.081 21.521 1.00 16.76 H new ATOM 0 HB2 ASP A 53 18.129 -1.367 24.172 1.00 16.71 H new ATOM 0 HB3 ASP A 53 18.306 -0.266 23.082 1.00 16.71 H new ATOM 413 N VAL A 54 20.547 -2.418 22.411 1.00 16.04 N ATOM 414 CA VAL A 54 21.935 -2.274 21.959 1.00 15.60 C ATOM 415 C VAL A 54 22.218 -3.210 20.769 1.00 15.22 C ATOM 416 O VAL A 54 22.844 -2.815 19.779 1.00 14.71 O ATOM 417 CB VAL A 54 22.910 -2.454 23.141 1.00 15.72 C ATOM 418 CG1 VAL A 54 24.377 -2.397 22.679 1.00 15.01 C ATOM 419 CG2 VAL A 54 22.639 -1.371 24.177 1.00 16.73 C ATOM 0 H VAL A 54 20.455 -2.829 23.161 1.00 16.04 H new ATOM 0 HA VAL A 54 22.078 -1.373 21.629 1.00 15.60 H new ATOM 0 HB VAL A 54 22.765 -3.330 23.532 1.00 15.72 H new ATOM 0 HG11 VAL A 54 24.962 -2.513 23.444 1.00 15.01 H new ATOM 0 HG12 VAL A 54 24.542 -3.104 22.036 1.00 15.01 H new ATOM 0 HG13 VAL A 54 24.553 -1.537 22.265 1.00 15.01 H new ATOM 0 HG21 VAL A 54 23.249 -1.478 24.924 1.00 16.73 H new ATOM 0 HG22 VAL A 54 22.770 -0.498 23.775 1.00 16.73 H new ATOM 0 HG23 VAL A 54 21.725 -1.447 24.493 1.00 16.73 H new ATOM 420 N GLN A 55 21.732 -4.446 20.849 1.00 14.70 N ATOM 421 CA GLN A 55 21.841 -5.366 19.709 1.00 14.48 C ATOM 422 C GLN A 55 21.199 -4.800 18.438 1.00 14.02 C ATOM 423 O GLN A 55 21.725 -4.997 17.336 1.00 13.95 O ATOM 424 CB GLN A 55 21.242 -6.734 20.055 1.00 14.52 C ATOM 425 CG GLN A 55 22.101 -7.517 21.056 1.00 14.42 C ATOM 426 CD GLN A 55 21.498 -8.849 21.464 1.00 15.07 C ATOM 427 OE1 GLN A 55 20.173 -8.967 21.376 1.00 16.54 O flip ATOM 428 NE2 GLN A 55 22.220 -9.761 21.872 1.00 14.78 N flip ATOM 0 H GLN A 55 21.340 -4.772 21.542 1.00 14.70 H new ATOM 0 HA GLN A 55 22.787 -5.477 19.525 1.00 14.48 H new ATOM 0 HB2 GLN A 55 20.353 -6.610 20.424 1.00 14.52 H new ATOM 0 HB3 GLN A 55 21.142 -7.255 19.243 1.00 14.52 H new ATOM 0 HG2 GLN A 55 22.976 -7.672 20.667 1.00 14.42 H new ATOM 0 HG3 GLN A 55 22.235 -6.975 21.849 1.00 14.42 H new ATOM 0 HE21 GLN A 55 23.072 -9.649 21.915 1.00 14.78 H new ATOM 0 HE22 GLN A 55 21.872 -10.510 22.113 1.00 14.78 H new ATOM 429 N ALA A 56 20.083 -4.090 18.608 1.00 13.49 N ATOM 430 CA ALA A 56 19.356 -3.464 17.499 1.00 13.71 C ATOM 431 C ALA A 56 20.215 -2.448 16.722 1.00 13.41 C ATOM 432 O ALA A 56 19.958 -2.170 15.540 1.00 13.61 O ATOM 433 CB ALA A 56 18.084 -2.797 18.014 1.00 14.00 C ATOM 0 H ALA A 56 19.722 -3.956 19.377 1.00 13.49 H new ATOM 0 HA ALA A 56 19.124 -4.171 16.877 1.00 13.71 H new ATOM 0 HB1 ALA A 56 17.611 -2.386 17.273 1.00 14.00 H new ATOM 0 HB2 ALA A 56 17.515 -3.463 18.431 1.00 14.00 H new ATOM 0 HB3 ALA A 56 18.316 -2.117 18.666 1.00 14.00 H new ATOM 434 N VAL A 57 21.224 -1.895 17.394 1.00 13.53 N ATOM 435 CA VAL A 57 22.106 -0.900 16.785 1.00 13.56 C ATOM 436 C VAL A 57 22.835 -1.495 15.567 1.00 13.16 C ATOM 437 O VAL A 57 23.160 -0.763 14.620 1.00 13.07 O ATOM 438 CB VAL A 57 23.096 -0.286 17.802 1.00 13.53 C ATOM 439 CG1 VAL A 57 24.066 0.697 17.110 1.00 12.74 C ATOM 440 CG2 VAL A 57 22.327 0.433 18.911 1.00 14.11 C ATOM 0 H VAL A 57 21.416 -2.085 18.211 1.00 13.53 H new ATOM 0 HA VAL A 57 21.548 -0.169 16.476 1.00 13.56 H new ATOM 0 HB VAL A 57 23.619 -1.006 18.188 1.00 13.53 H new ATOM 0 HG11 VAL A 57 24.675 1.068 17.768 1.00 12.74 H new ATOM 0 HG12 VAL A 57 24.573 0.227 16.429 1.00 12.74 H new ATOM 0 HG13 VAL A 57 23.560 1.415 16.698 1.00 12.74 H new ATOM 0 HG21 VAL A 57 22.954 0.815 19.545 1.00 14.11 H new ATOM 0 HG22 VAL A 57 21.787 1.140 18.525 1.00 14.11 H new ATOM 0 HG23 VAL A 57 21.751 -0.200 19.368 1.00 14.11 H new ATOM 441 N CYS A 58 23.041 -2.819 15.564 1.00 13.00 N ATOM 442 CA CYS A 58 23.669 -3.489 14.403 1.00 13.26 C ATOM 443 C CYS A 58 22.889 -3.379 13.092 1.00 13.64 C ATOM 444 O CYS A 58 23.433 -3.711 12.023 1.00 13.90 O ATOM 445 CB CYS A 58 23.967 -4.969 14.693 1.00 13.02 C ATOM 446 SG CYS A 58 25.146 -5.226 16.024 1.00 14.09 S ATOM 0 H CYS A 58 22.830 -3.344 16.212 1.00 13.00 H new ATOM 0 HA CYS A 58 24.496 -2.999 14.274 1.00 13.26 H new ATOM 0 HB2 CYS A 58 23.137 -5.419 14.916 1.00 13.02 H new ATOM 0 HB3 CYS A 58 24.308 -5.386 13.886 1.00 13.02 H new ATOM 447 N SER A 59 21.632 -2.929 13.166 1.00 14.12 N ATOM 448 CA SER A 59 20.802 -2.709 11.976 1.00 14.74 C ATOM 449 C SER A 59 20.482 -1.229 11.783 1.00 13.93 C ATOM 450 O SER A 59 19.625 -0.863 10.964 1.00 14.36 O ATOM 451 CB SER A 59 19.489 -3.502 12.061 1.00 15.60 C ATOM 452 OG SER A 59 18.658 -3.003 13.122 1.00 19.23 O ATOM 0 H SER A 59 21.237 -2.743 13.907 1.00 14.12 H new ATOM 0 HA SER A 59 21.315 -3.021 11.215 1.00 14.74 H new ATOM 0 HB2 SER A 59 19.014 -3.441 11.217 1.00 15.60 H new ATOM 0 HB3 SER A 59 19.682 -4.441 12.210 1.00 15.60 H new ATOM 0 HG SER A 59 19.138 -2.791 13.778 1.00 19.23 H new ATOM 453 N GLN A 60 21.175 -0.380 12.526 1.00 12.90 N ATOM 454 CA GLN A 60 20.906 1.050 12.499 1.00 12.87 C ATOM 455 C GLN A 60 21.855 1.795 11.547 1.00 12.69 C ATOM 456 O GLN A 60 22.087 1.297 10.457 1.00 12.85 O ATOM 457 CB GLN A 60 20.817 1.590 13.926 1.00 12.80 C ATOM 458 CG GLN A 60 19.590 0.972 14.612 1.00 13.53 C ATOM 459 CD GLN A 60 19.340 1.436 16.042 1.00 13.02 C ATOM 460 OE1 GLN A 60 19.895 2.430 16.497 1.00 14.63 O ATOM 461 NE2 GLN A 60 18.479 0.704 16.756 1.00 14.08 N ATOM 0 H GLN A 60 21.810 -0.613 13.057 1.00 12.90 H new ATOM 0 HA GLN A 60 20.034 1.219 12.109 1.00 12.87 H new ATOM 0 HB2 GLN A 60 21.623 1.371 14.419 1.00 12.80 H new ATOM 0 HB3 GLN A 60 20.745 2.557 13.915 1.00 12.80 H new ATOM 0 HG2 GLN A 60 18.804 1.174 14.080 1.00 13.53 H new ATOM 0 HG3 GLN A 60 19.691 0.007 14.614 1.00 13.53 H new ATOM 0 HE21 GLN A 60 18.108 0.012 16.404 1.00 14.08 H new ATOM 0 HE22 GLN A 60 18.296 0.925 17.567 1.00 14.08 H new ATOM 462 N LYS A 61 22.354 2.981 11.905 1.00 12.98 N ATOM 463 CA LYS A 61 23.056 3.806 10.903 1.00 13.65 C ATOM 464 C LYS A 61 24.465 3.277 10.617 1.00 13.28 C ATOM 465 O LYS A 61 25.335 3.384 11.457 1.00 14.65 O ATOM 466 CB LYS A 61 23.124 5.275 11.350 1.00 13.18 C ATOM 467 CG LYS A 61 23.771 6.217 10.338 1.00 14.01 C ATOM 468 CD LYS A 61 23.993 7.609 10.942 1.00 16.01 C ATOM 469 CE LYS A 61 24.758 8.509 9.979 1.00 20.18 C ATOM 470 NZ LYS A 61 24.994 9.909 10.491 1.00 23.45 N ATOM 0 H LYS A 61 22.303 3.321 12.693 1.00 12.98 H new ATOM 0 HA LYS A 61 22.544 3.752 10.081 1.00 13.65 H new ATOM 0 HB2 LYS A 61 22.224 5.587 11.535 1.00 13.18 H new ATOM 0 HB3 LYS A 61 23.619 5.325 12.183 1.00 13.18 H new ATOM 0 HG2 LYS A 61 24.620 5.849 10.046 1.00 14.01 H new ATOM 0 HG3 LYS A 61 23.207 6.289 9.552 1.00 14.01 H new ATOM 0 HD2 LYS A 61 23.137 8.012 11.156 1.00 16.01 H new ATOM 0 HD3 LYS A 61 24.485 7.529 11.774 1.00 16.01 H new ATOM 0 HE2 LYS A 61 25.615 8.099 9.782 1.00 20.18 H new ATOM 0 HE3 LYS A 61 24.269 8.560 9.143 1.00 20.18 H new ATOM 0 HZ1 LYS A 61 25.443 10.376 9.881 1.00 23.45 H new ATOM 0 HZ2 LYS A 61 24.212 10.303 10.649 1.00 23.45 H new ATOM 0 HZ3 LYS A 61 25.466 9.874 11.245 1.00 23.45 H new ATOM 471 N ASN A 62 24.678 2.734 9.418 1.00 13.30 N ATOM 472 CA ASN A 62 26.001 2.224 9.043 1.00 13.02 C ATOM 473 C ASN A 62 27.005 3.389 8.887 1.00 12.74 C ATOM 474 O ASN A 62 26.762 4.354 8.132 1.00 12.51 O ATOM 475 CB ASN A 62 25.906 1.374 7.767 1.00 13.89 C ATOM 476 CG ASN A 62 27.217 0.666 7.410 1.00 15.11 C ATOM 477 OD1 ASN A 62 27.587 0.595 6.227 1.00 19.07 O ATOM 478 ND2 ASN A 62 27.909 0.129 8.405 1.00 14.63 N ATOM 0 H ASN A 62 24.075 2.651 8.810 1.00 13.30 H new ATOM 0 HA ASN A 62 26.331 1.649 9.752 1.00 13.02 H new ATOM 0 HB2 ASN A 62 25.208 0.710 7.880 1.00 13.89 H new ATOM 0 HB3 ASN A 62 25.641 1.942 7.027 1.00 13.89 H new ATOM 0 HD21 ASN A 62 28.644 -0.287 8.242 1.00 14.63 H new ATOM 0 HD22 ASN A 62 27.623 0.197 9.213 1.00 14.63 H new ATOM 479 N VAL A 63 28.108 3.293 9.624 1.00 11.76 N ATOM 480 CA VAL A 63 29.159 4.316 9.607 1.00 11.37 C ATOM 481 C VAL A 63 30.551 3.682 9.565 1.00 12.24 C ATOM 482 O VAL A 63 30.725 2.534 9.949 1.00 12.62 O ATOM 483 CB VAL A 63 29.067 5.282 10.824 1.00 11.30 C ATOM 484 CG1 VAL A 63 27.701 6.020 10.863 1.00 9.66 C ATOM 485 CG2 VAL A 63 29.351 4.572 12.147 1.00 10.57 C ATOM 0 H VAL A 63 28.271 2.633 10.150 1.00 11.76 H new ATOM 0 HA VAL A 63 29.018 4.834 8.799 1.00 11.37 H new ATOM 0 HB VAL A 63 29.761 5.949 10.705 1.00 11.30 H new ATOM 0 HG11 VAL A 63 27.675 6.613 11.630 1.00 9.66 H new ATOM 0 HG12 VAL A 63 27.590 6.538 10.051 1.00 9.66 H new ATOM 0 HG13 VAL A 63 26.984 5.370 10.932 1.00 9.66 H new ATOM 0 HG21 VAL A 63 29.284 5.208 12.877 1.00 10.57 H new ATOM 0 HG22 VAL A 63 28.705 3.860 12.278 1.00 10.57 H new ATOM 0 HG23 VAL A 63 30.245 4.197 12.128 1.00 10.57 H new ATOM 486 N ALA A 64 31.533 4.443 9.092 1.00 12.37 N ATOM 487 CA ALA A 64 32.902 3.943 9.038 1.00 12.57 C ATOM 488 C ALA A 64 33.425 3.701 10.446 1.00 12.82 C ATOM 489 O ALA A 64 33.201 4.514 11.353 1.00 12.79 O ATOM 490 CB ALA A 64 33.804 4.941 8.275 1.00 12.90 C ATOM 0 H ALA A 64 31.429 5.245 8.800 1.00 12.37 H new ATOM 0 HA ALA A 64 32.914 3.099 8.560 1.00 12.57 H new ATOM 0 HB1 ALA A 64 34.711 4.600 8.245 1.00 12.90 H new ATOM 0 HB2 ALA A 64 33.471 5.053 7.371 1.00 12.90 H new ATOM 0 HB3 ALA A 64 33.796 5.798 8.730 1.00 12.90 H new ATOM 491 N CYS A 65 34.100 2.571 10.634 1.00 12.46 N ATOM 492 CA CYS A 65 34.788 2.290 11.894 1.00 12.35 C ATOM 493 C CYS A 65 36.066 3.096 11.957 1.00 11.40 C ATOM 494 O CYS A 65 36.667 3.388 10.932 1.00 11.33 O ATOM 495 CB CYS A 65 35.174 0.827 11.979 1.00 11.85 C ATOM 496 SG CYS A 65 33.749 -0.246 11.877 1.00 14.12 S ATOM 0 H CYS A 65 34.173 1.951 10.043 1.00 12.46 H new ATOM 0 HA CYS A 65 34.188 2.519 12.621 1.00 12.35 H new ATOM 0 HB2 CYS A 65 35.791 0.614 11.262 1.00 11.85 H new ATOM 0 HB3 CYS A 65 35.642 0.664 12.813 1.00 11.85 H new ATOM 497 N LYS A 66 36.511 3.384 13.171 1.00 11.61 N ATOM 498 CA LYS A 66 37.787 4.062 13.376 1.00 12.02 C ATOM 499 C LYS A 66 38.965 3.334 12.734 1.00 12.53 C ATOM 500 O LYS A 66 39.906 3.975 12.300 1.00 12.76 O ATOM 501 CB LYS A 66 38.039 4.268 14.868 1.00 12.46 C ATOM 502 CG LYS A 66 37.250 5.443 15.424 1.00 12.38 C ATOM 503 CD LYS A 66 37.349 5.503 16.935 1.00 13.33 C ATOM 504 CE LYS A 66 36.474 6.621 17.464 1.00 14.35 C ATOM 505 NZ LYS A 66 36.607 6.750 18.944 1.00 12.93 N ATOM 0 H LYS A 66 36.088 3.195 13.896 1.00 11.61 H new ATOM 0 HA LYS A 66 37.720 4.922 12.932 1.00 12.02 H new ATOM 0 HB2 LYS A 66 37.798 3.461 15.350 1.00 12.46 H new ATOM 0 HB3 LYS A 66 38.986 4.416 15.018 1.00 12.46 H new ATOM 0 HG2 LYS A 66 37.584 6.270 15.042 1.00 12.38 H new ATOM 0 HG3 LYS A 66 36.320 5.365 15.161 1.00 12.38 H new ATOM 0 HD2 LYS A 66 37.073 4.656 17.319 1.00 13.33 H new ATOM 0 HD3 LYS A 66 38.270 5.649 17.201 1.00 13.33 H new ATOM 0 HE2 LYS A 66 36.721 7.458 17.040 1.00 14.35 H new ATOM 0 HE3 LYS A 66 35.548 6.448 17.233 1.00 14.35 H new ATOM 0 HZ1 LYS A 66 36.131 7.447 19.225 1.00 12.93 H new ATOM 0 HZ2 LYS A 66 36.307 6.009 19.335 1.00 12.93 H new ATOM 0 HZ3 LYS A 66 37.463 6.871 19.156 1.00 12.93 H new ATOM 506 N ASN A 67 38.888 2.005 12.649 1.00 13.00 N ATOM 507 CA ASN A 67 39.967 1.217 12.045 1.00 13.81 C ATOM 508 C ASN A 67 39.895 1.109 10.523 1.00 13.85 C ATOM 509 O ASN A 67 40.715 0.409 9.909 1.00 14.35 O ATOM 510 CB ASN A 67 40.067 -0.179 12.679 1.00 13.65 C ATOM 511 CG ASN A 67 38.917 -1.099 12.303 1.00 13.12 C ATOM 512 OD1 ASN A 67 37.991 -0.712 11.613 1.00 13.13 O ATOM 513 ND2 ASN A 67 38.983 -2.343 12.776 1.00 15.13 N ATOM 0 H ASN A 67 38.222 1.541 12.934 1.00 13.00 H new ATOM 0 HA ASN A 67 40.776 1.715 12.239 1.00 13.81 H new ATOM 0 HB2 ASN A 67 40.903 -0.590 12.408 1.00 13.65 H new ATOM 0 HB3 ASN A 67 40.096 -0.087 13.644 1.00 13.65 H new ATOM 0 HD21 ASN A 67 38.357 -2.905 12.597 1.00 15.13 H new ATOM 0 HD22 ASN A 67 39.651 -2.584 13.261 1.00 15.13 H new ATOM 514 N GLY A 68 38.919 1.789 9.927 1.00 13.05 N ATOM 515 CA GLY A 68 38.760 1.787 8.483 1.00 13.59 C ATOM 516 C GLY A 68 37.817 0.728 7.943 1.00 13.32 C ATOM 517 O GLY A 68 37.520 0.709 6.745 1.00 13.08 O ATOM 0 H GLY A 68 38.336 2.260 10.348 1.00 13.05 H new ATOM 0 HA2 GLY A 68 38.438 2.659 8.205 1.00 13.59 H new ATOM 0 HA3 GLY A 68 39.631 1.663 8.075 1.00 13.59 H new ATOM 518 N GLN A 69 37.358 -0.170 8.808 1.00 13.70 N ATOM 519 CA GLN A 69 36.382 -1.162 8.389 1.00 14.06 C ATOM 520 C GLN A 69 34.997 -0.525 8.235 1.00 14.27 C ATOM 521 O GLN A 69 34.780 0.622 8.650 1.00 14.84 O ATOM 522 CB GLN A 69 36.375 -2.344 9.360 1.00 15.02 C ATOM 523 CG GLN A 69 37.709 -3.096 9.346 1.00 17.06 C ATOM 524 CD GLN A 69 37.991 -3.770 8.018 1.00 21.11 C ATOM 525 OE1 GLN A 69 38.758 -3.257 7.183 1.00 22.89 O ATOM 526 NE2 GLN A 69 37.380 -4.934 7.811 1.00 20.32 N ATOM 0 H GLN A 69 37.597 -0.221 9.633 1.00 13.70 H new ATOM 0 HA GLN A 69 36.633 -1.507 7.518 1.00 14.06 H new ATOM 0 HB2 GLN A 69 36.193 -2.025 10.258 1.00 15.02 H new ATOM 0 HB3 GLN A 69 35.658 -2.953 9.124 1.00 15.02 H new ATOM 0 HG2 GLN A 69 38.427 -2.476 9.548 1.00 17.06 H new ATOM 0 HG3 GLN A 69 37.706 -3.765 10.049 1.00 17.06 H new ATOM 0 HE21 GLN A 69 36.856 -5.258 8.412 1.00 20.32 H new ATOM 0 HE22 GLN A 69 37.509 -5.363 7.077 1.00 20.32 H new ATOM 527 N THR A 70 34.075 -1.262 7.628 1.00 13.95 N ATOM 528 CA THR A 70 32.756 -0.720 7.314 1.00 14.13 C ATOM 529 C THR A 70 31.647 -1.247 8.225 1.00 13.71 C ATOM 530 O THR A 70 30.472 -0.906 8.044 1.00 14.55 O ATOM 531 CB THR A 70 32.384 -0.996 5.834 1.00 14.45 C ATOM 532 OG1 THR A 70 32.243 -2.406 5.631 1.00 15.48 O ATOM 533 CG2 THR A 70 33.472 -0.481 4.904 1.00 15.99 C ATOM 0 H THR A 70 34.192 -2.080 7.389 1.00 13.95 H new ATOM 0 HA THR A 70 32.822 0.236 7.467 1.00 14.13 H new ATOM 0 HB THR A 70 31.550 -0.540 5.638 1.00 14.45 H new ATOM 0 HG1 THR A 70 31.501 -2.660 5.932 1.00 15.48 H new ATOM 0 HG21 THR A 70 33.224 -0.662 3.984 1.00 15.99 H new ATOM 0 HG22 THR A 70 33.578 0.475 5.028 1.00 15.99 H new ATOM 0 HG23 THR A 70 34.309 -0.928 5.106 1.00 15.99 H new ATOM 534 N ASN A 71 32.002 -2.091 9.193 1.00 11.81 N ATOM 535 CA ASN A 71 30.990 -2.807 9.980 1.00 11.03 C ATOM 536 C ASN A 71 30.612 -2.116 11.285 1.00 11.28 C ATOM 537 O ASN A 71 30.332 -2.786 12.273 1.00 11.12 O ATOM 538 CB ASN A 71 31.420 -4.262 10.254 1.00 11.42 C ATOM 539 CG ASN A 71 32.672 -4.355 11.109 1.00 11.28 C ATOM 540 OD1 ASN A 71 33.663 -3.703 10.832 1.00 12.93 O ATOM 541 ND2 ASN A 71 32.642 -5.224 12.127 1.00 12.26 N ATOM 0 H ASN A 71 32.816 -2.264 9.411 1.00 11.81 H new ATOM 0 HA ASN A 71 30.192 -2.804 9.428 1.00 11.03 H new ATOM 0 HB2 ASN A 71 30.696 -4.731 10.697 1.00 11.42 H new ATOM 0 HB3 ASN A 71 31.576 -4.713 9.410 1.00 11.42 H new ATOM 0 HD21 ASN A 71 33.341 -5.339 12.615 1.00 12.26 H new ATOM 0 HD22 ASN A 71 31.924 -5.667 12.293 1.00 12.26 H new ATOM 542 N CYS A 72 30.595 -0.780 11.270 1.00 11.21 N ATOM 543 CA CYS A 72 30.165 -0.015 12.446 1.00 11.19 C ATOM 544 C CYS A 72 28.813 0.627 12.239 1.00 11.29 C ATOM 545 O CYS A 72 28.402 0.886 11.101 1.00 11.25 O ATOM 546 CB CYS A 72 31.208 1.018 12.865 1.00 11.96 C ATOM 547 SG CYS A 72 32.689 0.239 13.548 1.00 14.56 S ATOM 0 H CYS A 72 30.827 -0.301 10.595 1.00 11.21 H new ATOM 0 HA CYS A 72 30.076 -0.651 13.173 1.00 11.19 H new ATOM 0 HB2 CYS A 72 31.452 1.560 12.099 1.00 11.96 H new ATOM 0 HB3 CYS A 72 30.824 1.616 13.525 1.00 11.96 H new ATOM 548 N TYR A 73 28.117 0.841 13.357 1.00 11.15 N ATOM 549 CA TYR A 73 26.737 1.308 13.359 1.00 11.21 C ATOM 550 C TYR A 73 26.554 2.263 14.511 1.00 11.16 C ATOM 551 O TYR A 73 27.006 1.988 15.634 1.00 11.00 O ATOM 552 CB TYR A 73 25.759 0.133 13.484 1.00 11.30 C ATOM 553 CG TYR A 73 25.967 -0.858 12.377 1.00 12.23 C ATOM 554 CD1 TYR A 73 26.920 -1.863 12.512 1.00 12.04 C ATOM 555 CD2 TYR A 73 25.293 -0.737 11.161 1.00 13.93 C ATOM 556 CE1 TYR A 73 27.166 -2.749 11.496 1.00 14.05 C ATOM 557 CE2 TYR A 73 25.538 -1.622 10.132 1.00 14.32 C ATOM 558 CZ TYR A 73 26.487 -2.621 10.307 1.00 13.97 C ATOM 559 OH TYR A 73 26.764 -3.528 9.309 1.00 13.65 O ATOM 0 H TYR A 73 28.441 0.716 14.144 1.00 11.15 H new ATOM 0 HA TYR A 73 26.550 1.758 12.520 1.00 11.21 H new ATOM 0 HB2 TYR A 73 25.881 -0.304 14.341 1.00 11.30 H new ATOM 0 HB3 TYR A 73 24.847 0.463 13.461 1.00 11.30 H new ATOM 0 HD1 TYR A 73 27.399 -1.935 13.306 1.00 12.04 H new ATOM 0 HD2 TYR A 73 24.673 -0.054 11.044 1.00 13.93 H new ATOM 0 HE1 TYR A 73 27.787 -3.432 11.610 1.00 14.05 H new ATOM 0 HE2 TYR A 73 25.073 -1.551 9.330 1.00 14.32 H new ATOM 0 HH TYR A 73 26.294 -3.355 8.635 1.00 13.65 H new ATOM 560 N GLN A 74 25.911 3.385 14.197 1.00 11.39 N ATOM 561 CA GLN A 74 25.587 4.405 15.167 1.00 12.17 C ATOM 562 C GLN A 74 24.113 4.328 15.526 1.00 12.02 C ATOM 563 O GLN A 74 23.256 4.199 14.646 1.00 12.40 O ATOM 564 CB GLN A 74 25.933 5.770 14.592 1.00 12.22 C ATOM 565 CG GLN A 74 25.681 6.927 15.518 1.00 14.28 C ATOM 566 CD GLN A 74 26.210 8.217 14.933 1.00 16.96 C ATOM 567 OE1 GLN A 74 27.383 8.306 14.603 1.00 20.59 O ATOM 568 NE2 GLN A 74 25.351 9.210 14.788 1.00 18.04 N ATOM 0 H GLN A 74 25.650 3.571 13.399 1.00 11.39 H new ATOM 0 HA GLN A 74 26.103 4.265 15.976 1.00 12.17 H new ATOM 0 HB2 GLN A 74 26.870 5.772 14.339 1.00 12.22 H new ATOM 0 HB3 GLN A 74 25.420 5.904 13.780 1.00 12.22 H new ATOM 0 HG2 GLN A 74 24.729 7.010 15.685 1.00 14.28 H new ATOM 0 HG3 GLN A 74 26.105 6.759 16.374 1.00 14.28 H new ATOM 0 HE21 GLN A 74 24.533 9.110 15.032 1.00 18.04 H new ATOM 0 HE22 GLN A 74 25.610 9.957 14.449 1.00 18.04 H new ATOM 569 N SER A 75 23.827 4.390 16.823 1.00 12.55 N ATOM 570 CA SER A 75 22.437 4.340 17.296 1.00 12.92 C ATOM 571 C SER A 75 21.647 5.536 16.766 1.00 13.49 C ATOM 572 O SER A 75 22.151 6.653 16.749 1.00 13.65 O ATOM 573 CB SER A 75 22.382 4.290 18.832 1.00 12.88 C ATOM 574 OG SER A 75 22.927 5.459 19.433 1.00 11.85 O ATOM 0 H SER A 75 24.416 4.461 17.446 1.00 12.55 H new ATOM 0 HA SER A 75 22.030 3.529 16.954 1.00 12.92 H new ATOM 0 HB2 SER A 75 21.461 4.182 19.117 1.00 12.88 H new ATOM 0 HB3 SER A 75 22.869 3.512 19.145 1.00 12.88 H new ATOM 0 HG SER A 75 22.317 5.882 19.827 1.00 11.85 H new ATOM 575 N TYR A 76 20.414 5.302 16.322 1.00 14.52 N ATOM 576 CA TYR A 76 19.573 6.418 15.875 1.00 15.69 C ATOM 577 C TYR A 76 19.214 7.350 17.025 1.00 17.49 C ATOM 578 O TYR A 76 19.074 8.555 16.835 1.00 16.95 O ATOM 579 CB TYR A 76 18.302 5.918 15.186 1.00 15.39 C ATOM 580 CG TYR A 76 18.580 5.315 13.842 1.00 14.22 C ATOM 581 CD1 TYR A 76 19.276 6.037 12.865 1.00 11.93 C ATOM 582 CD2 TYR A 76 18.142 4.027 13.532 1.00 13.84 C ATOM 583 CE1 TYR A 76 19.527 5.491 11.615 1.00 12.33 C ATOM 584 CE2 TYR A 76 18.393 3.474 12.287 1.00 13.06 C ATOM 585 CZ TYR A 76 19.087 4.210 11.338 1.00 13.26 C ATOM 586 OH TYR A 76 19.352 3.652 10.112 1.00 16.09 O ATOM 0 H TYR A 76 20.049 4.525 16.271 1.00 14.52 H new ATOM 0 HA TYR A 76 20.095 6.921 15.230 1.00 15.69 H new ATOM 0 HB2 TYR A 76 17.869 5.258 15.750 1.00 15.39 H new ATOM 0 HB3 TYR A 76 17.681 6.656 15.084 1.00 15.39 H new ATOM 0 HD1 TYR A 76 19.575 6.896 13.057 1.00 11.93 H new ATOM 0 HD2 TYR A 76 17.676 3.534 14.168 1.00 13.84 H new ATOM 0 HE1 TYR A 76 19.986 5.981 10.971 1.00 12.33 H new ATOM 0 HE2 TYR A 76 18.098 2.615 12.089 1.00 13.06 H new ATOM 0 HH TYR A 76 19.529 2.836 10.207 1.00 16.09 H new ATOM 587 N SER A 77 19.077 6.780 18.215 1.00 20.40 N ATOM 588 CA SER A 77 18.701 7.544 19.394 1.00 22.68 C ATOM 589 C SER A 77 19.885 7.634 20.355 1.00 23.66 C ATOM 590 O SER A 77 20.811 6.811 20.305 1.00 23.22 O ATOM 591 CB SER A 77 17.471 6.921 20.072 1.00 23.37 C ATOM 592 OG SER A 77 16.344 6.917 19.201 1.00 25.54 O ATOM 0 H SER A 77 19.199 5.941 18.361 1.00 20.40 H new ATOM 0 HA SER A 77 18.460 8.445 19.126 1.00 22.68 H new ATOM 0 HB2 SER A 77 17.675 6.013 20.344 1.00 23.37 H new ATOM 0 HB3 SER A 77 17.258 7.417 20.878 1.00 23.37 H new ATOM 0 HG SER A 77 16.263 7.673 18.844 1.00 25.54 H new ATOM 593 N THR A 78 19.878 8.662 21.202 1.00 24.20 N ATOM 594 CA THR A 78 20.868 8.755 22.259 1.00 25.04 C ATOM 595 C THR A 78 20.559 7.637 23.246 1.00 25.01 C ATOM 596 O THR A 78 19.410 7.193 23.374 1.00 25.67 O ATOM 597 CB THR A 78 20.869 10.124 22.994 1.00 25.21 C ATOM 598 OG1 THR A 78 19.648 10.288 23.727 1.00 26.60 O ATOM 599 CG2 THR A 78 21.048 11.282 22.021 1.00 26.66 C ATOM 0 H THR A 78 19.311 9.309 21.178 1.00 24.20 H new ATOM 0 HA THR A 78 21.751 8.672 21.867 1.00 25.04 H new ATOM 0 HB THR A 78 21.620 10.130 23.608 1.00 25.21 H new ATOM 0 HG1 THR A 78 19.010 10.392 23.190 1.00 26.60 H new ATOM 0 HG21 THR A 78 21.044 12.120 22.510 1.00 26.66 H new ATOM 0 HG22 THR A 78 21.893 11.185 21.554 1.00 26.66 H new ATOM 0 HG23 THR A 78 20.321 11.280 21.378 1.00 26.66 H new ATOM 600 N MET A 79 21.597 7.179 23.923 1.00 24.80 N ATOM 601 CA MET A 79 21.472 6.109 24.892 1.00 24.15 C ATOM 602 C MET A 79 22.123 6.552 26.177 1.00 23.98 C ATOM 603 O MET A 79 23.068 7.347 26.164 1.00 22.99 O ATOM 604 CB MET A 79 22.135 4.842 24.364 1.00 24.20 C ATOM 605 CG MET A 79 21.387 4.181 23.208 1.00 23.65 C ATOM 606 SD MET A 79 22.092 2.576 22.808 1.00 24.69 S ATOM 607 CE MET A 79 20.774 1.877 21.824 1.00 23.82 C ATOM 0 H MET A 79 22.397 7.481 23.833 1.00 24.80 H new ATOM 0 HA MET A 79 20.536 5.911 25.052 1.00 24.15 H new ATOM 0 HB2 MET A 79 23.035 5.057 24.073 1.00 24.20 H new ATOM 0 HB3 MET A 79 22.216 4.204 25.090 1.00 24.20 H new ATOM 0 HG2 MET A 79 20.452 4.077 23.443 1.00 23.65 H new ATOM 0 HG3 MET A 79 21.421 4.755 22.427 1.00 23.65 H new ATOM 0 HE1 MET A 79 21.062 1.028 21.454 1.00 23.82 H new ATOM 0 HE2 MET A 79 19.992 1.738 22.381 1.00 23.82 H new ATOM 0 HE3 MET A 79 20.552 2.485 21.102 1.00 23.82 H new ATOM 608 N SER A 80 21.601 6.051 27.294 1.00 23.79 N ATOM 609 CA SER A 80 22.191 6.332 28.588 1.00 23.97 C ATOM 610 C SER A 80 23.501 5.567 28.716 1.00 24.11 C ATOM 611 O SER A 80 23.531 4.346 28.554 1.00 24.88 O ATOM 612 CB SER A 80 21.229 5.946 29.709 1.00 23.85 C ATOM 613 OG SER A 80 21.860 6.086 30.970 1.00 24.29 O ATOM 0 H SER A 80 20.905 5.546 27.319 1.00 23.79 H new ATOM 0 HA SER A 80 22.368 7.283 28.662 1.00 23.97 H new ATOM 0 HB2 SER A 80 20.438 6.507 29.672 1.00 23.85 H new ATOM 0 HB3 SER A 80 20.933 5.030 29.588 1.00 23.85 H new ATOM 0 HG SER A 80 21.317 5.885 31.579 1.00 24.29 H new ATOM 614 N ILE A 81 24.585 6.293 28.970 1.00 24.32 N ATOM 615 CA ILE A 81 25.915 5.678 29.073 1.00 25.06 C ATOM 616 C ILE A 81 26.724 6.246 30.240 1.00 24.70 C ATOM 617 O ILE A 81 26.501 7.376 30.682 1.00 24.88 O ATOM 618 CB ILE A 81 26.725 5.817 27.756 1.00 24.83 C ATOM 619 CG1 ILE A 81 27.082 7.289 27.469 1.00 25.71 C ATOM 620 CG2 ILE A 81 25.958 5.173 26.588 1.00 25.45 C ATOM 621 CD1 ILE A 81 28.053 7.502 26.324 1.00 26.06 C ATOM 0 H ILE A 81 24.577 7.145 29.087 1.00 24.32 H new ATOM 0 HA ILE A 81 25.759 4.735 29.240 1.00 25.06 H new ATOM 0 HB ILE A 81 27.564 5.342 27.859 1.00 24.83 H new ATOM 0 HG12 ILE A 81 26.264 7.774 27.276 1.00 25.71 H new ATOM 0 HG13 ILE A 81 27.460 7.679 28.273 1.00 25.71 H new ATOM 0 HG21 ILE A 81 26.474 5.266 25.772 1.00 25.45 H new ATOM 0 HG22 ILE A 81 25.815 4.232 26.774 1.00 25.45 H new ATOM 0 HG23 ILE A 81 25.101 5.615 26.481 1.00 25.45 H new ATOM 0 HD11 ILE A 81 28.221 8.451 26.214 1.00 26.06 H new ATOM 0 HD12 ILE A 81 28.887 7.047 26.518 1.00 26.06 H new ATOM 0 HD13 ILE A 81 27.673 7.144 25.506 1.00 26.06 H new ATOM 622 N THR A 82 27.676 5.455 30.716 1.00 24.64 N ATOM 623 CA THR A 82 28.653 5.938 31.673 1.00 24.87 C ATOM 624 C THR A 82 30.037 5.746 31.092 1.00 24.74 C ATOM 625 O THR A 82 30.443 4.618 30.789 1.00 24.43 O ATOM 626 CB THR A 82 28.552 5.222 33.030 1.00 24.64 C ATOM 627 OG1 THR A 82 27.216 5.331 33.533 1.00 25.38 O ATOM 628 CG2 THR A 82 29.520 5.849 34.037 1.00 24.98 C ATOM 0 H THR A 82 27.772 4.630 30.494 1.00 24.64 H new ATOM 0 HA THR A 82 28.475 6.877 31.837 1.00 24.87 H new ATOM 0 HB THR A 82 28.783 4.288 32.906 1.00 24.64 H new ATOM 0 HG1 THR A 82 26.883 6.063 33.289 1.00 25.38 H new ATOM 0 HG21 THR A 82 29.446 5.388 34.887 1.00 24.98 H new ATOM 0 HG22 THR A 82 30.428 5.770 33.705 1.00 24.98 H new ATOM 0 HG23 THR A 82 29.300 6.786 34.157 1.00 24.98 H new ATOM 629 N ASP A 83 30.727 6.868 30.915 1.00 24.87 N ATOM 630 CA ASP A 83 32.119 6.901 30.514 1.00 25.21 C ATOM 631 C ASP A 83 32.999 6.698 31.752 1.00 24.80 C ATOM 632 O ASP A 83 32.816 7.383 32.771 1.00 24.16 O ATOM 633 CB ASP A 83 32.408 8.248 29.846 1.00 25.92 C ATOM 634 CG ASP A 83 33.871 8.463 29.559 1.00 27.65 C ATOM 635 OD1 ASP A 83 34.315 8.109 28.449 1.00 31.39 O ATOM 636 OD2 ASP A 83 34.577 9.001 30.437 1.00 29.11 O ATOM 0 H ASP A 83 30.385 7.649 31.029 1.00 24.87 H new ATOM 0 HA ASP A 83 32.312 6.193 29.880 1.00 25.21 H new ATOM 0 HB2 ASP A 83 31.909 8.305 29.016 1.00 25.92 H new ATOM 0 HB3 ASP A 83 32.088 8.962 30.419 1.00 25.92 H new ATOM 637 N CYS A 84 33.926 5.738 31.670 1.00 24.33 N ATOM 638 CA CYS A 84 34.917 5.489 32.726 1.00 24.43 C ATOM 639 C CYS A 84 36.324 5.789 32.217 1.00 24.72 C ATOM 640 O CYS A 84 36.768 5.210 31.229 1.00 24.14 O ATOM 641 CB CYS A 84 34.860 4.037 33.200 1.00 24.45 C ATOM 642 SG CYS A 84 33.298 3.581 33.944 1.00 23.76 S ATOM 0 H CYS A 84 33.998 5.209 30.996 1.00 24.33 H new ATOM 0 HA CYS A 84 34.706 6.074 33.470 1.00 24.43 H new ATOM 0 HB2 CYS A 84 35.032 3.452 32.445 1.00 24.45 H new ATOM 0 HB3 CYS A 84 35.571 3.887 33.843 1.00 24.45 H new ATOM 643 N ARG A 85 37.017 6.681 32.916 1.00 25.06 N ATOM 644 CA ARG A 85 38.276 7.249 32.451 1.00 25.70 C ATOM 645 C ARG A 85 39.275 7.232 33.604 1.00 26.01 C ATOM 646 O ARG A 85 39.007 7.793 34.669 1.00 25.66 O ATOM 647 CB ARG A 85 38.018 8.697 32.017 1.00 26.04 C ATOM 648 CG ARG A 85 39.097 9.344 31.182 1.00 27.46 C ATOM 649 CD ARG A 85 38.491 10.471 30.368 1.00 29.53 C ATOM 650 NE ARG A 85 37.511 9.971 29.397 1.00 30.85 N ATOM 651 CZ ARG A 85 37.764 9.789 28.103 1.00 31.40 C ATOM 652 NH1 ARG A 85 38.968 10.078 27.610 1.00 31.67 N ATOM 653 NH2 ARG A 85 36.810 9.328 27.299 1.00 31.35 N ATOM 0 H ARG A 85 36.766 6.977 33.683 1.00 25.06 H new ATOM 0 HA ARG A 85 38.631 6.738 31.707 1.00 25.70 H new ATOM 0 HB2 ARG A 85 37.188 8.722 31.515 1.00 26.04 H new ATOM 0 HB3 ARG A 85 37.885 9.235 32.813 1.00 26.04 H new ATOM 0 HG2 ARG A 85 39.802 9.687 31.754 1.00 27.46 H new ATOM 0 HG3 ARG A 85 39.503 8.688 30.594 1.00 27.46 H new ATOM 0 HD2 ARG A 85 38.063 11.106 30.963 1.00 29.53 H new ATOM 0 HD3 ARG A 85 39.195 10.949 29.902 1.00 29.53 H new ATOM 0 HE ARG A 85 36.722 9.783 29.683 1.00 30.85 H new ATOM 0 HH11 ARG A 85 39.583 10.383 28.128 1.00 31.67 H new ATOM 0 HH12 ARG A 85 39.130 9.960 26.774 1.00 31.67 H new ATOM 0 HH21 ARG A 85 36.031 9.148 27.615 1.00 31.35 H new ATOM 0 HH22 ARG A 85 36.972 9.210 26.463 1.00 31.35 H new ATOM 654 N GLU A 86 40.414 6.575 33.398 1.00 26.23 N ATOM 655 CA GLU A 86 41.430 6.448 34.444 1.00 27.06 C ATOM 656 C GLU A 86 41.922 7.829 34.906 1.00 27.17 C ATOM 657 O GLU A 86 42.173 8.716 34.083 1.00 27.22 O ATOM 658 CB GLU A 86 42.581 5.567 33.946 1.00 27.08 C ATOM 659 CG GLU A 86 43.645 5.275 34.970 1.00 28.23 C ATOM 660 CD GLU A 86 44.650 4.239 34.507 1.00 27.42 C ATOM 661 OE1 GLU A 86 44.873 4.105 33.285 1.00 28.55 O ATOM 662 OE2 GLU A 86 45.224 3.566 35.379 1.00 28.68 O ATOM 0 H GLU A 86 40.620 6.193 32.655 1.00 26.23 H new ATOM 0 HA GLU A 86 41.035 6.018 35.218 1.00 27.06 H new ATOM 0 HB2 GLU A 86 42.214 4.726 33.631 1.00 27.08 H new ATOM 0 HB3 GLU A 86 42.995 5.999 33.183 1.00 27.08 H new ATOM 0 HG2 GLU A 86 44.113 6.097 35.186 1.00 28.23 H new ATOM 0 HG3 GLU A 86 43.223 4.966 35.787 1.00 28.23 H new ATOM 663 N THR A 87 42.025 8.009 36.224 1.00 27.28 N ATOM 664 CA THR A 87 42.494 9.275 36.807 1.00 27.60 C ATOM 665 C THR A 87 44.011 9.395 36.695 1.00 27.40 C ATOM 666 O THR A 87 44.702 8.406 36.456 1.00 27.39 O ATOM 667 CB THR A 87 42.107 9.411 38.300 1.00 27.50 C ATOM 668 OG1 THR A 87 42.758 8.386 39.059 1.00 27.84 O ATOM 669 CG2 THR A 87 40.598 9.318 38.493 1.00 27.77 C ATOM 0 H THR A 87 41.827 7.406 36.805 1.00 27.28 H new ATOM 0 HA THR A 87 42.061 9.982 36.304 1.00 27.60 H new ATOM 0 HB THR A 87 42.395 10.284 38.610 1.00 27.50 H new ATOM 0 HG1 THR A 87 42.549 8.461 39.869 1.00 27.84 H new ATOM 0 HG21 THR A 87 40.386 9.406 39.435 1.00 27.77 H new ATOM 0 HG22 THR A 87 40.164 10.029 37.996 1.00 27.77 H new ATOM 0 HG23 THR A 87 40.283 8.459 38.170 1.00 27.77 H new ATOM 670 N GLY A 88 44.521 10.612 36.875 1.00 27.83 N ATOM 671 CA GLY A 88 45.964 10.856 36.860 1.00 27.83 C ATOM 672 C GLY A 88 46.716 10.103 37.946 1.00 28.02 C ATOM 673 O GLY A 88 47.841 9.645 37.728 1.00 28.19 O ATOM 0 H GLY A 88 44.045 11.316 37.008 1.00 27.83 H new ATOM 0 HA2 GLY A 88 46.319 10.601 35.994 1.00 27.83 H new ATOM 0 HA3 GLY A 88 46.125 11.807 36.964 1.00 27.83 H new ATOM 674 N SER A 89 46.084 9.975 39.112 1.00 27.92 N ATOM 675 CA SER A 89 46.672 9.304 40.273 1.00 27.95 C ATOM 676 C SER A 89 46.571 7.779 40.213 1.00 27.60 C ATOM 677 O SER A 89 47.278 7.080 40.941 1.00 27.79 O ATOM 678 CB SER A 89 46.007 9.806 41.559 1.00 28.05 C ATOM 679 OG SER A 89 44.604 9.587 41.506 1.00 29.06 O ATOM 0 H SER A 89 45.292 10.279 39.253 1.00 27.92 H new ATOM 0 HA SER A 89 47.616 9.525 40.266 1.00 27.95 H new ATOM 0 HB2 SER A 89 46.384 9.347 42.326 1.00 28.05 H new ATOM 0 HB3 SER A 89 46.189 10.751 41.677 1.00 28.05 H new ATOM 0 HG SER A 89 44.250 9.864 42.215 1.00 29.06 H new ATOM 680 N SER A 90 45.685 7.266 39.358 1.00 27.35 N ATOM 681 CA SER A 90 45.480 5.825 39.228 1.00 26.99 C ATOM 682 C SER A 90 46.774 5.091 38.889 1.00 26.86 C ATOM 683 O SER A 90 47.507 5.484 37.984 1.00 26.91 O ATOM 684 CB SER A 90 44.418 5.524 38.171 1.00 26.69 C ATOM 685 OG SER A 90 44.276 4.126 37.978 1.00 26.75 O ATOM 0 H SER A 90 45.189 7.741 38.841 1.00 27.35 H new ATOM 0 HA SER A 90 45.173 5.503 40.090 1.00 26.99 H new ATOM 0 HB2 SER A 90 43.568 5.904 38.444 1.00 26.69 H new ATOM 0 HB3 SER A 90 44.662 5.947 37.333 1.00 26.69 H new ATOM 0 HG SER A 90 44.598 3.912 37.232 1.00 26.75 H new ATOM 686 N LYS A 91 47.045 4.027 39.635 1.00 26.84 N ATOM 687 CA LYS A 91 48.226 3.209 39.427 1.00 26.85 C ATOM 688 C LYS A 91 47.862 1.751 39.648 1.00 26.79 C ATOM 689 O LYS A 91 47.364 1.394 40.716 1.00 26.68 O ATOM 690 CB LYS A 91 49.354 3.657 40.372 1.00 27.03 C ATOM 691 CG LYS A 91 50.391 2.593 40.707 1.00 28.09 C ATOM 692 CD LYS A 91 50.112 1.916 42.061 1.00 29.25 C ATOM 693 CE LYS A 91 51.248 0.988 42.476 1.00 29.07 C ATOM 694 NZ LYS A 91 52.470 1.752 42.853 1.00 28.80 N ATOM 0 H LYS A 91 46.543 3.759 40.280 1.00 26.84 H new ATOM 0 HA LYS A 91 48.548 3.315 38.518 1.00 26.85 H new ATOM 0 HB2 LYS A 91 49.809 4.414 39.971 1.00 27.03 H new ATOM 0 HB3 LYS A 91 48.956 3.970 41.199 1.00 27.03 H new ATOM 0 HG2 LYS A 91 50.401 1.921 40.007 1.00 28.09 H new ATOM 0 HG3 LYS A 91 51.273 2.997 40.725 1.00 28.09 H new ATOM 0 HD2 LYS A 91 49.984 2.595 42.742 1.00 29.25 H new ATOM 0 HD3 LYS A 91 49.286 1.411 42.006 1.00 29.25 H new ATOM 0 HE2 LYS A 91 50.963 0.442 43.225 1.00 29.07 H new ATOM 0 HE3 LYS A 91 51.456 0.383 41.747 1.00 29.07 H new ATOM 0 HZ1 LYS A 91 53.006 1.234 43.340 1.00 28.80 H new ATOM 0 HZ2 LYS A 91 52.897 2.011 42.117 1.00 28.80 H new ATOM 0 HZ3 LYS A 91 52.238 2.468 43.328 1.00 28.80 H new ATOM 695 N TYR A 92 48.101 0.919 38.634 1.00 26.78 N ATOM 696 CA TYR A 92 47.850 -0.522 38.725 1.00 26.95 C ATOM 697 C TYR A 92 48.645 -1.117 39.892 1.00 26.96 C ATOM 698 O TYR A 92 49.824 -0.794 40.050 1.00 27.31 O ATOM 699 CB TYR A 92 48.237 -1.221 37.416 1.00 26.87 C ATOM 700 CG TYR A 92 48.046 -2.727 37.428 1.00 26.84 C ATOM 701 CD1 TYR A 92 49.083 -3.581 37.822 1.00 26.68 C ATOM 702 CD2 TYR A 92 46.828 -3.298 37.066 1.00 26.42 C ATOM 703 CE1 TYR A 92 48.909 -4.962 37.836 1.00 26.64 C ATOM 704 CE2 TYR A 92 46.642 -4.675 37.079 1.00 26.73 C ATOM 705 CZ TYR A 92 47.687 -5.503 37.463 1.00 27.04 C ATOM 706 OH TYR A 92 47.516 -6.871 37.479 1.00 27.01 O ATOM 0 H TYR A 92 48.413 1.173 37.874 1.00 26.78 H new ATOM 0 HA TYR A 92 46.903 -0.662 38.880 1.00 26.95 H new ATOM 0 HB2 TYR A 92 47.710 -0.845 36.694 1.00 26.87 H new ATOM 0 HB3 TYR A 92 49.167 -1.026 37.221 1.00 26.87 H new ATOM 0 HD1 TYR A 92 49.901 -3.220 38.078 1.00 26.68 H new ATOM 0 HD2 TYR A 92 46.125 -2.746 36.810 1.00 26.42 H new ATOM 0 HE1 TYR A 92 49.608 -5.519 38.094 1.00 26.64 H new ATOM 0 HE2 TYR A 92 45.823 -5.039 36.832 1.00 26.73 H new ATOM 0 HH TYR A 92 46.803 -7.069 37.082 1.00 27.01 H new ATOM 707 N PRO A 93 48.019 -2.013 40.685 1.00 27.13 N ATOM 708 CA PRO A 93 46.670 -2.587 40.547 1.00 27.13 C ATOM 709 C PRO A 93 45.529 -1.831 41.245 1.00 27.17 C ATOM 710 O PRO A 93 44.409 -2.342 41.308 1.00 27.66 O ATOM 711 CB PRO A 93 46.828 -3.992 41.153 1.00 27.32 C ATOM 712 CG PRO A 93 48.118 -3.957 41.954 1.00 27.33 C ATOM 713 CD PRO A 93 48.712 -2.582 41.852 1.00 27.08 C ATOM 0 HA PRO A 93 46.397 -2.556 39.617 1.00 27.13 H new ATOM 0 HB2 PRO A 93 46.073 -4.213 41.720 1.00 27.32 H new ATOM 0 HB3 PRO A 93 46.868 -4.668 40.458 1.00 27.32 H new ATOM 0 HG2 PRO A 93 47.944 -4.180 42.882 1.00 27.33 H new ATOM 0 HG3 PRO A 93 48.742 -4.618 41.616 1.00 27.33 H new ATOM 0 HD2 PRO A 93 48.553 -2.061 42.654 1.00 27.08 H new ATOM 0 HD3 PRO A 93 49.672 -2.614 41.720 1.00 27.08 H new ATOM 714 N ASN A 94 45.803 -0.632 41.751 1.00 27.08 N ATOM 715 CA ASN A 94 44.772 0.199 42.373 1.00 27.11 C ATOM 716 C ASN A 94 44.201 1.182 41.365 1.00 26.73 C ATOM 717 O ASN A 94 44.395 2.394 41.470 1.00 26.81 O ATOM 718 CB ASN A 94 45.320 0.936 43.603 1.00 27.44 C ATOM 719 CG ASN A 94 45.486 0.027 44.808 1.00 28.73 C ATOM 720 OD1 ASN A 94 45.798 -1.159 44.675 1.00 30.61 O ATOM 721 ND2 ASN A 94 45.287 0.585 45.995 1.00 30.09 N ATOM 0 H ASN A 94 46.587 -0.278 41.744 1.00 27.08 H new ATOM 0 HA ASN A 94 44.057 -0.384 42.673 1.00 27.11 H new ATOM 0 HB2 ASN A 94 46.177 1.333 43.382 1.00 27.44 H new ATOM 0 HB3 ASN A 94 44.721 1.664 43.832 1.00 27.44 H new ATOM 0 HD21 ASN A 94 45.375 0.116 46.711 1.00 30.09 H new ATOM 0 HD22 ASN A 94 45.070 1.416 46.049 1.00 30.09 H new ATOM 722 N CYS A 95 43.502 0.637 40.377 1.00 26.27 N ATOM 723 CA CYS A 95 42.944 1.427 39.290 1.00 25.86 C ATOM 724 C CYS A 95 41.839 2.347 39.789 1.00 25.98 C ATOM 725 O CYS A 95 40.949 1.918 40.528 1.00 26.63 O ATOM 726 CB CYS A 95 42.422 0.504 38.196 1.00 25.84 C ATOM 727 SG CYS A 95 43.680 -0.652 37.640 1.00 23.96 S ATOM 0 H CYS A 95 43.338 -0.205 40.319 1.00 26.27 H new ATOM 0 HA CYS A 95 43.647 1.986 38.924 1.00 25.86 H new ATOM 0 HB2 CYS A 95 41.655 0.012 38.527 1.00 25.84 H new ATOM 0 HB3 CYS A 95 42.116 1.035 37.444 1.00 25.84 H new ATOM 728 N ALA A 96 41.918 3.613 39.392 1.00 25.56 N ATOM 729 CA ALA A 96 40.964 4.627 39.829 1.00 24.76 C ATOM 730 C ALA A 96 40.397 5.341 38.614 1.00 24.40 C ATOM 731 O ALA A 96 41.137 5.670 37.680 1.00 24.05 O ATOM 732 CB ALA A 96 41.628 5.622 40.785 1.00 24.88 C ATOM 0 H ALA A 96 42.527 3.909 38.861 1.00 25.56 H new ATOM 0 HA ALA A 96 40.240 4.196 40.310 1.00 24.76 H new ATOM 0 HB1 ALA A 96 40.978 6.286 41.063 1.00 24.88 H new ATOM 0 HB2 ALA A 96 41.961 5.150 41.564 1.00 24.88 H new ATOM 0 HB3 ALA A 96 42.366 6.061 40.334 1.00 24.88 H new ATOM 733 N TYR A 97 39.085 5.576 38.637 1.00 23.66 N ATOM 734 CA TYR A 97 38.362 6.115 37.483 1.00 23.38 C ATOM 735 C TYR A 97 37.473 7.308 37.814 1.00 23.54 C ATOM 736 O TYR A 97 36.900 7.382 38.903 1.00 24.01 O ATOM 737 CB TYR A 97 37.513 5.009 36.840 1.00 22.70 C ATOM 738 CG TYR A 97 38.351 3.920 36.223 1.00 21.82 C ATOM 739 CD1 TYR A 97 38.754 2.818 36.974 1.00 22.38 C ATOM 740 CD2 TYR A 97 38.770 4.006 34.898 1.00 21.82 C ATOM 741 CE1 TYR A 97 39.544 1.827 36.424 1.00 21.68 C ATOM 742 CE2 TYR A 97 39.565 3.021 34.335 1.00 22.45 C ATOM 743 CZ TYR A 97 39.954 1.932 35.109 1.00 22.18 C ATOM 744 OH TYR A 97 40.731 0.938 34.561 1.00 22.02 O ATOM 0 H TYR A 97 38.588 5.427 39.323 1.00 23.66 H new ATOM 0 HA TYR A 97 39.038 6.437 36.866 1.00 23.38 H new ATOM 0 HB2 TYR A 97 36.930 4.622 37.512 1.00 22.70 H new ATOM 0 HB3 TYR A 97 36.943 5.399 36.159 1.00 22.70 H new ATOM 0 HD1 TYR A 97 38.486 2.748 37.862 1.00 22.38 H new ATOM 0 HD2 TYR A 97 38.512 4.736 34.383 1.00 21.82 H new ATOM 0 HE1 TYR A 97 39.798 1.093 36.936 1.00 21.68 H new ATOM 0 HE2 TYR A 97 39.836 3.087 33.448 1.00 22.45 H new ATOM 0 HH TYR A 97 40.996 1.176 33.800 1.00 22.02 H new ATOM 745 N LYS A 98 37.389 8.246 36.873 1.00 23.67 N ATOM 746 CA LYS A 98 36.375 9.294 36.890 1.00 23.78 C ATOM 747 C LYS A 98 35.126 8.747 36.203 1.00 23.78 C ATOM 748 O LYS A 98 35.204 8.156 35.119 1.00 23.40 O ATOM 749 CB LYS A 98 36.884 10.552 36.182 1.00 23.90 C ATOM 750 CG LYS A 98 35.871 11.685 36.067 1.00 25.50 C ATOM 751 CD LYS A 98 36.535 12.961 35.576 1.00 27.62 C ATOM 752 CE LYS A 98 35.524 13.895 34.927 1.00 29.30 C ATOM 753 NZ LYS A 98 36.107 15.246 34.679 1.00 31.41 N ATOM 0 H LYS A 98 37.924 8.291 36.201 1.00 23.67 H new ATOM 0 HA LYS A 98 36.168 9.546 37.803 1.00 23.78 H new ATOM 0 HB2 LYS A 98 37.663 10.881 36.657 1.00 23.90 H new ATOM 0 HB3 LYS A 98 37.178 10.308 35.290 1.00 23.90 H new ATOM 0 HG2 LYS A 98 35.162 11.429 35.456 1.00 25.50 H new ATOM 0 HG3 LYS A 98 35.458 11.843 36.930 1.00 25.50 H new ATOM 0 HD2 LYS A 98 36.964 13.412 36.320 1.00 27.62 H new ATOM 0 HD3 LYS A 98 37.232 12.741 34.938 1.00 27.62 H new ATOM 0 HE2 LYS A 98 35.221 13.513 34.088 1.00 29.30 H new ATOM 0 HE3 LYS A 98 34.745 13.978 35.499 1.00 29.30 H new ATOM 0 HZ1 LYS A 98 35.495 15.769 34.300 1.00 31.41 H new ATOM 0 HZ2 LYS A 98 36.365 15.604 35.452 1.00 31.41 H new ATOM 0 HZ3 LYS A 98 36.809 15.172 34.137 1.00 31.41 H new ATOM 754 N THR A 99 33.983 8.929 36.856 1.00 23.68 N ATOM 755 CA THR A 99 32.699 8.467 36.344 1.00 23.43 C ATOM 756 C THR A 99 31.934 9.630 35.708 1.00 23.86 C ATOM 757 O THR A 99 31.664 10.636 36.366 1.00 23.43 O ATOM 758 CB THR A 99 31.855 7.841 37.482 1.00 23.60 C ATOM 759 OG1 THR A 99 32.521 6.682 37.991 1.00 22.97 O ATOM 760 CG2 THR A 99 30.463 7.455 37.002 1.00 23.24 C ATOM 0 H THR A 99 33.931 9.328 37.616 1.00 23.68 H new ATOM 0 HA THR A 99 32.864 7.790 35.669 1.00 23.43 H new ATOM 0 HB THR A 99 31.758 8.506 38.182 1.00 23.60 H new ATOM 0 HG1 THR A 99 32.693 6.157 37.358 1.00 22.97 H new ATOM 0 HG21 THR A 99 29.963 7.067 37.737 1.00 23.24 H new ATOM 0 HG22 THR A 99 30.002 8.244 36.678 1.00 23.24 H new ATOM 0 HG23 THR A 99 30.536 6.807 36.284 1.00 23.24 H new ATOM 761 N THR A 100 31.597 9.495 34.427 1.00 24.02 N ATOM 762 CA THR A 100 30.785 10.502 33.741 1.00 24.63 C ATOM 763 C THR A 100 29.563 9.900 33.058 1.00 24.57 C ATOM 764 O THR A 100 29.683 9.138 32.099 1.00 24.49 O ATOM 765 CB THR A 100 31.592 11.313 32.703 1.00 25.07 C ATOM 766 OG1 THR A 100 32.756 11.868 33.325 1.00 25.04 O ATOM 767 CG2 THR A 100 30.743 12.460 32.141 1.00 25.56 C ATOM 0 H THR A 100 31.828 8.828 33.936 1.00 24.02 H new ATOM 0 HA THR A 100 30.489 11.103 34.443 1.00 24.63 H new ATOM 0 HB THR A 100 31.848 10.718 31.981 1.00 25.07 H new ATOM 0 HG1 THR A 100 33.409 11.354 33.206 1.00 25.04 H new ATOM 0 HG21 THR A 100 31.263 12.959 31.492 1.00 25.56 H new ATOM 0 HG22 THR A 100 29.952 12.097 31.712 1.00 25.56 H new ATOM 0 HG23 THR A 100 30.477 13.050 32.864 1.00 25.56 H new ATOM 768 N GLN A 101 28.391 10.265 33.565 1.00 24.71 N ATOM 769 CA GLN A 101 27.132 9.879 32.959 1.00 24.40 C ATOM 770 C GLN A 101 26.810 10.847 31.830 1.00 23.84 C ATOM 771 O GLN A 101 27.017 12.054 31.956 1.00 23.93 O ATOM 772 CB GLN A 101 26.014 9.892 34.003 1.00 24.76 C ATOM 773 CG GLN A 101 24.606 9.655 33.455 1.00 26.02 C ATOM 774 CD GLN A 101 24.419 8.277 32.841 1.00 27.22 C ATOM 775 OE1 GLN A 101 25.110 7.283 33.389 1.00 28.70 O flip ATOM 776 NE2 GLN A 101 23.657 8.112 31.884 1.00 28.08 N flip ATOM 0 H GLN A 101 28.307 10.746 34.273 1.00 24.71 H new ATOM 0 HA GLN A 101 27.205 8.979 32.605 1.00 24.40 H new ATOM 0 HB2 GLN A 101 26.205 9.212 34.668 1.00 24.76 H new ATOM 0 HB3 GLN A 101 26.028 10.748 34.460 1.00 24.76 H new ATOM 0 HG2 GLN A 101 23.964 9.772 34.172 1.00 26.02 H new ATOM 0 HG3 GLN A 101 24.409 10.329 32.786 1.00 26.02 H new ATOM 0 HE21 GLN A 101 23.227 8.781 31.557 1.00 28.08 H new ATOM 0 HE22 GLN A 101 23.556 7.328 31.545 1.00 28.08 H new ATOM 777 N ALA A 102 26.315 10.311 30.722 1.00 23.05 N ATOM 778 CA ALA A 102 25.873 11.145 29.617 1.00 22.01 C ATOM 779 C ALA A 102 24.785 10.444 28.816 1.00 21.73 C ATOM 780 O ALA A 102 24.509 9.260 29.021 1.00 21.11 O ATOM 781 CB ALA A 102 27.055 11.514 28.719 1.00 22.81 C ATOM 0 H ALA A 102 26.227 9.466 30.591 1.00 23.05 H new ATOM 0 HA ALA A 102 25.500 11.963 29.981 1.00 22.01 H new ATOM 0 HB1 ALA A 102 26.745 12.070 27.987 1.00 22.81 H new ATOM 0 HB2 ALA A 102 27.715 12.001 29.237 1.00 22.81 H new ATOM 0 HB3 ALA A 102 27.456 10.706 28.363 1.00 22.81 H new ATOM 782 N ASN A 103 24.148 11.189 27.923 1.00 21.04 N ATOM 783 CA ASN A 103 23.257 10.588 26.947 1.00 21.52 C ATOM 784 C ASN A 103 23.804 10.902 25.577 1.00 21.27 C ATOM 785 O ASN A 103 23.838 12.056 25.163 1.00 21.14 O ATOM 786 CB ASN A 103 21.818 11.072 27.127 1.00 21.85 C ATOM 787 CG ASN A 103 21.199 10.545 28.405 1.00 23.90 C ATOM 788 OD1 ASN A 103 20.436 9.577 28.389 1.00 26.94 O ATOM 789 ND2 ASN A 103 21.560 11.151 29.524 1.00 25.57 N ATOM 0 H ASN A 103 24.219 12.044 27.867 1.00 21.04 H new ATOM 0 HA ASN A 103 23.221 9.626 27.068 1.00 21.52 H new ATOM 0 HB2 ASN A 103 21.802 12.042 27.137 1.00 21.85 H new ATOM 0 HB3 ASN A 103 21.284 10.787 26.369 1.00 21.85 H new ATOM 0 HD21 ASN A 103 21.260 10.872 30.280 1.00 25.57 H new ATOM 0 HD22 ASN A 103 22.095 11.824 29.495 1.00 25.57 H new ATOM 790 N LYS A 104 24.265 9.862 24.892 1.00 21.39 N ATOM 791 CA LYS A 104 24.972 10.031 23.641 1.00 21.75 C ATOM 792 C LYS A 104 24.622 8.897 22.702 1.00 21.15 C ATOM 793 O LYS A 104 24.157 7.849 23.134 1.00 21.50 O ATOM 794 CB LYS A 104 26.486 10.019 23.885 1.00 21.87 C ATOM 795 CG LYS A 104 27.049 11.304 24.491 1.00 22.70 C ATOM 796 CD LYS A 104 28.566 11.239 24.562 1.00 23.59 C ATOM 797 CE LYS A 104 29.158 12.582 24.972 1.00 27.77 C ATOM 798 NZ LYS A 104 30.633 12.455 25.191 1.00 30.95 N ATOM 0 H LYS A 104 24.175 9.044 25.142 1.00 21.39 H new ATOM 0 HA LYS A 104 24.712 10.880 23.249 1.00 21.75 H new ATOM 0 HB2 LYS A 104 26.700 9.278 24.474 1.00 21.87 H new ATOM 0 HB3 LYS A 104 26.935 9.850 23.042 1.00 21.87 H new ATOM 0 HG2 LYS A 104 26.777 12.066 23.956 1.00 22.70 H new ATOM 0 HG3 LYS A 104 26.684 11.436 25.380 1.00 22.70 H new ATOM 0 HD2 LYS A 104 28.833 10.557 25.198 1.00 23.59 H new ATOM 0 HD3 LYS A 104 28.922 10.976 23.699 1.00 23.59 H new ATOM 0 HE2 LYS A 104 28.983 13.243 24.284 1.00 27.77 H new ATOM 0 HE3 LYS A 104 28.730 12.897 25.784 1.00 27.77 H new ATOM 0 HZ1 LYS A 104 30.967 13.245 25.430 1.00 30.95 H new ATOM 0 HZ2 LYS A 104 30.788 11.861 25.835 1.00 30.95 H new ATOM 0 HZ3 LYS A 104 31.023 12.184 24.438 1.00 30.95 H new ATOM 799 N HIS A 105 24.858 9.106 21.414 1.00 20.61 N ATOM 800 CA HIS A 105 24.728 8.025 20.446 1.00 20.32 C ATOM 801 C HIS A 105 25.944 7.134 20.584 1.00 20.20 C ATOM 802 O HIS A 105 27.048 7.631 20.815 1.00 20.52 O ATOM 803 CB HIS A 105 24.664 8.581 19.030 1.00 20.34 C ATOM 804 CG HIS A 105 23.531 9.538 18.811 1.00 22.09 C ATOM 805 ND1 HIS A 105 22.317 9.141 18.298 1.00 23.99 N ATOM 806 CD2 HIS A 105 23.422 10.866 19.055 1.00 23.74 C ATOM 807 CE1 HIS A 105 21.510 10.185 18.220 1.00 25.26 C ATOM 808 NE2 HIS A 105 22.156 11.245 18.674 1.00 25.20 N ATOM 0 H HIS A 105 25.094 9.863 21.080 1.00 20.61 H new ATOM 0 HA HIS A 105 23.912 7.528 20.613 1.00 20.32 H new ATOM 0 HB2 HIS A 105 25.500 9.030 18.829 1.00 20.34 H new ATOM 0 HB3 HIS A 105 24.580 7.844 18.405 1.00 20.34 H new ATOM 0 HD1 HIS A 105 22.115 8.338 18.064 1.00 23.99 H new ATOM 0 HD2 HIS A 105 24.080 11.418 19.413 1.00 23.74 H new ATOM 0 HE1 HIS A 105 20.637 10.175 17.900 1.00 25.26 H new ATOM 809 N ILE A 106 25.745 5.825 20.471 1.00 19.49 N ATOM 810 CA ILE A 106 26.883 4.893 20.544 1.00 18.73 C ATOM 811 C ILE A 106 27.207 4.394 19.156 1.00 18.08 C ATOM 812 O ILE A 106 26.340 4.348 18.292 1.00 17.89 O ATOM 813 CB ILE A 106 26.639 3.710 21.530 1.00 18.64 C ATOM 814 CG1 ILE A 106 25.512 2.795 21.025 1.00 20.26 C ATOM 815 CG2 ILE A 106 26.367 4.271 22.925 1.00 19.16 C ATOM 816 CD1 ILE A 106 25.410 1.428 21.765 1.00 20.55 C ATOM 0 H ILE A 106 24.978 5.455 20.354 1.00 19.49 H new ATOM 0 HA ILE A 106 27.643 5.378 20.902 1.00 18.73 H new ATOM 0 HB ILE A 106 27.431 3.153 21.580 1.00 18.64 H new ATOM 0 HG12 ILE A 106 24.667 3.262 21.115 1.00 20.26 H new ATOM 0 HG13 ILE A 106 25.645 2.629 20.079 1.00 20.26 H new ATOM 0 HG21 ILE A 106 26.214 3.540 23.544 1.00 19.16 H new ATOM 0 HG22 ILE A 106 27.132 4.790 23.220 1.00 19.16 H new ATOM 0 HG23 ILE A 106 25.582 4.840 22.898 1.00 19.16 H new ATOM 0 HD11 ILE A 106 24.679 0.911 21.391 1.00 20.55 H new ATOM 0 HD12 ILE A 106 26.240 0.939 21.657 1.00 20.55 H new ATOM 0 HD13 ILE A 106 25.247 1.582 22.709 1.00 20.55 H new ATOM 817 N ILE A 107 28.471 4.051 18.941 1.00 17.28 N ATOM 818 CA ILE A 107 28.891 3.438 17.692 1.00 16.47 C ATOM 819 C ILE A 107 29.549 2.120 18.058 1.00 16.08 C ATOM 820 O ILE A 107 30.510 2.099 18.837 1.00 16.72 O ATOM 821 CB ILE A 107 29.885 4.319 16.923 1.00 16.92 C ATOM 822 CG1 ILE A 107 29.203 5.639 16.520 1.00 16.98 C ATOM 823 CG2 ILE A 107 30.390 3.580 15.704 1.00 17.47 C ATOM 824 CD1 ILE A 107 30.170 6.611 15.819 1.00 18.32 C ATOM 0 H ILE A 107 29.104 4.167 19.511 1.00 17.28 H new ATOM 0 HA ILE A 107 28.124 3.315 17.111 1.00 16.47 H new ATOM 0 HB ILE A 107 30.644 4.525 17.491 1.00 16.92 H new ATOM 0 HG12 ILE A 107 28.457 5.448 15.930 1.00 16.98 H new ATOM 0 HG13 ILE A 107 28.837 6.065 17.311 1.00 16.98 H new ATOM 0 HG21 ILE A 107 31.017 4.141 15.222 1.00 17.47 H new ATOM 0 HG22 ILE A 107 30.834 2.763 15.981 1.00 17.47 H new ATOM 0 HG23 ILE A 107 29.643 3.361 15.126 1.00 17.47 H new ATOM 0 HD11 ILE A 107 29.697 7.425 15.585 1.00 18.32 H new ATOM 0 HD12 ILE A 107 30.904 6.824 16.416 1.00 18.32 H new ATOM 0 HD13 ILE A 107 30.518 6.197 15.014 1.00 18.32 H new ATOM 825 N VAL A 108 29.008 1.028 17.522 1.00 13.01 N ATOM 826 CA VAL A 108 29.546 -0.308 17.793 1.00 12.62 C ATOM 827 C VAL A 108 29.903 -0.999 16.478 1.00 12.05 C ATOM 828 O VAL A 108 29.362 -0.655 15.428 1.00 11.63 O ATOM 829 CB VAL A 108 28.525 -1.166 18.578 1.00 12.43 C ATOM 830 CG1 VAL A 108 28.271 -0.546 19.949 1.00 12.79 C ATOM 831 CG2 VAL A 108 27.208 -1.299 17.771 1.00 12.42 C ATOM 0 H VAL A 108 28.327 1.037 16.997 1.00 13.01 H new ATOM 0 HA VAL A 108 30.345 -0.212 18.335 1.00 12.62 H new ATOM 0 HB VAL A 108 28.887 -2.056 18.710 1.00 12.43 H new ATOM 0 HG11 VAL A 108 27.631 -1.088 20.436 1.00 12.79 H new ATOM 0 HG12 VAL A 108 29.103 -0.506 20.445 1.00 12.79 H new ATOM 0 HG13 VAL A 108 27.917 0.350 19.838 1.00 12.79 H new ATOM 0 HG21 VAL A 108 26.575 -1.838 18.271 1.00 12.42 H new ATOM 0 HG22 VAL A 108 26.832 -0.418 17.618 1.00 12.42 H new ATOM 0 HG23 VAL A 108 27.392 -1.724 16.919 1.00 12.42 H new ATOM 832 N ALA A 109 30.850 -1.924 16.546 1.00 11.53 N ATOM 833 CA ALA A 109 31.165 -2.810 15.429 1.00 11.16 C ATOM 834 C ALA A 109 30.422 -4.112 15.676 1.00 11.10 C ATOM 835 O ALA A 109 30.339 -4.592 16.825 1.00 10.94 O ATOM 836 CB ALA A 109 32.650 -3.063 15.341 1.00 11.93 C ATOM 0 H ALA A 109 31.333 -2.058 17.245 1.00 11.53 H new ATOM 0 HA ALA A 109 30.895 -2.406 14.589 1.00 11.16 H new ATOM 0 HB1 ALA A 109 32.834 -3.653 14.593 1.00 11.93 H new ATOM 0 HB2 ALA A 109 33.115 -2.222 15.211 1.00 11.93 H new ATOM 0 HB3 ALA A 109 32.957 -3.478 16.162 1.00 11.93 H new ATOM 837 N CYS A 110 29.865 -4.664 14.606 1.00 10.59 N ATOM 838 CA CYS A 110 29.087 -5.903 14.693 1.00 11.14 C ATOM 839 C CYS A 110 29.655 -6.958 13.755 1.00 11.52 C ATOM 840 O CYS A 110 30.197 -6.638 12.685 1.00 10.98 O ATOM 841 CB CYS A 110 27.617 -5.647 14.372 1.00 12.32 C ATOM 842 SG CYS A 110 26.862 -4.343 15.374 1.00 12.47 S ATOM 0 H CYS A 110 29.924 -4.337 13.813 1.00 10.59 H new ATOM 0 HA CYS A 110 29.148 -6.232 15.604 1.00 11.14 H new ATOM 0 HB2 CYS A 110 27.537 -5.410 13.435 1.00 12.32 H new ATOM 0 HB3 CYS A 110 27.119 -6.470 14.500 1.00 12.32 H new ATOM 843 N GLU A 111 29.525 -8.220 14.159 1.00 11.71 N ATOM 844 CA GLU A 111 30.077 -9.341 13.397 1.00 12.64 C ATOM 845 C GLU A 111 29.280 -10.579 13.726 1.00 11.85 C ATOM 846 O GLU A 111 28.635 -10.651 14.782 1.00 12.26 O ATOM 847 CB GLU A 111 31.526 -9.634 13.790 1.00 12.39 C ATOM 848 CG GLU A 111 32.554 -8.614 13.327 1.00 15.91 C ATOM 849 CD GLU A 111 33.961 -8.977 13.759 1.00 16.95 C ATOM 850 OE1 GLU A 111 34.095 -9.718 14.767 1.00 16.87 O ATOM 851 OE2 GLU A 111 34.918 -8.522 13.077 1.00 19.59 O ATOM 0 H GLU A 111 29.116 -8.451 14.880 1.00 11.71 H new ATOM 0 HA GLU A 111 30.037 -9.108 12.456 1.00 12.64 H new ATOM 0 HB2 GLU A 111 31.574 -9.702 14.756 1.00 12.39 H new ATOM 0 HB3 GLU A 111 31.772 -10.502 13.432 1.00 12.39 H new ATOM 0 HG2 GLU A 111 32.523 -8.543 12.360 1.00 15.91 H new ATOM 0 HG3 GLU A 111 32.324 -7.742 13.683 1.00 15.91 H new ATOM 852 N GLY A 112 29.386 -11.569 12.845 1.00 11.50 N ATOM 853 CA GLY A 112 28.882 -12.907 13.111 1.00 12.03 C ATOM 854 C GLY A 112 27.494 -13.184 12.595 1.00 12.76 C ATOM 855 O GLY A 112 26.837 -12.322 12.003 1.00 12.61 O ATOM 0 H GLY A 112 29.755 -11.481 12.073 1.00 11.50 H new ATOM 0 HA2 GLY A 112 29.492 -13.551 12.718 1.00 12.03 H new ATOM 0 HA3 GLY A 112 28.891 -13.056 14.069 1.00 12.03 H new ATOM 856 N ASN A 113 27.063 -14.420 12.823 1.00 13.23 N ATOM 857 CA ASN A 113 25.696 -14.853 12.597 1.00 13.75 C ATOM 858 C ASN A 113 25.279 -15.604 13.858 1.00 13.91 C ATOM 859 O ASN A 113 25.741 -16.725 14.082 1.00 13.55 O ATOM 860 CB ASN A 113 25.618 -15.761 11.363 1.00 14.15 C ATOM 861 CG ASN A 113 24.182 -16.112 10.973 1.00 15.53 C ATOM 862 OD1 ASN A 113 23.217 -15.555 11.506 1.00 17.02 O ATOM 863 ND2 ASN A 113 24.041 -17.047 10.042 1.00 18.76 N ATOM 0 H ASN A 113 27.574 -15.044 13.121 1.00 13.23 H new ATOM 0 HA ASN A 113 25.106 -14.102 12.427 1.00 13.75 H new ATOM 0 HB2 ASN A 113 26.053 -15.322 10.616 1.00 14.15 H new ATOM 0 HB3 ASN A 113 26.110 -16.579 11.537 1.00 14.15 H new ATOM 0 HD21 ASN A 113 23.255 -17.286 9.788 1.00 18.76 H new ATOM 0 HD22 ASN A 113 24.736 -17.414 9.692 1.00 18.76 H new ATOM 864 N PRO A 114 24.418 -14.986 14.699 1.00 13.92 N ATOM 865 CA PRO A 114 23.721 -13.706 14.521 1.00 13.29 C ATOM 866 C PRO A 114 24.648 -12.490 14.515 1.00 12.81 C ATOM 867 O PRO A 114 25.741 -12.522 15.091 1.00 12.36 O ATOM 868 CB PRO A 114 22.801 -13.636 15.744 1.00 13.59 C ATOM 869 CG PRO A 114 23.499 -14.438 16.769 1.00 14.76 C ATOM 870 CD PRO A 114 24.102 -15.587 16.005 1.00 13.92 C ATOM 0 HA PRO A 114 23.271 -13.677 13.662 1.00 13.29 H new ATOM 0 HB2 PRO A 114 22.671 -12.721 16.038 1.00 13.59 H new ATOM 0 HB3 PRO A 114 21.923 -13.998 15.548 1.00 13.59 H new ATOM 0 HG2 PRO A 114 24.182 -13.917 17.220 1.00 14.76 H new ATOM 0 HG3 PRO A 114 22.884 -14.751 17.451 1.00 14.76 H new ATOM 0 HD2 PRO A 114 24.896 -15.932 16.443 1.00 13.92 H new ATOM 0 HD3 PRO A 114 23.481 -16.327 15.919 1.00 13.92 H new ATOM 871 N TYR A 115 24.201 -11.428 13.857 1.00 12.13 N ATOM 872 CA TYR A 115 25.004 -10.202 13.733 1.00 11.51 C ATOM 873 C TYR A 115 24.837 -9.378 14.989 1.00 11.90 C ATOM 874 O TYR A 115 23.757 -8.841 15.245 1.00 12.78 O ATOM 875 CB TYR A 115 24.522 -9.413 12.533 1.00 12.30 C ATOM 876 CG TYR A 115 25.513 -8.441 11.940 1.00 11.01 C ATOM 877 CD1 TYR A 115 26.783 -8.859 11.529 1.00 11.18 C ATOM 878 CD2 TYR A 115 25.159 -7.101 11.733 1.00 12.36 C ATOM 879 CE1 TYR A 115 27.684 -7.951 10.939 1.00 11.47 C ATOM 880 CE2 TYR A 115 26.045 -6.201 11.145 1.00 10.93 C ATOM 881 CZ TYR A 115 27.302 -6.632 10.748 1.00 12.91 C ATOM 882 OH TYR A 115 28.177 -5.734 10.154 1.00 12.37 O ATOM 0 H TYR A 115 23.433 -11.390 13.471 1.00 12.13 H new ATOM 0 HA TYR A 115 25.940 -10.425 13.615 1.00 11.51 H new ATOM 0 HB2 TYR A 115 24.257 -10.039 11.842 1.00 12.30 H new ATOM 0 HB3 TYR A 115 23.727 -8.921 12.790 1.00 12.30 H new ATOM 0 HD1 TYR A 115 27.035 -9.746 11.647 1.00 11.18 H new ATOM 0 HD2 TYR A 115 24.316 -6.807 11.993 1.00 12.36 H new ATOM 0 HE1 TYR A 115 28.531 -8.235 10.679 1.00 11.47 H new ATOM 0 HE2 TYR A 115 25.794 -5.314 11.019 1.00 10.93 H new ATOM 0 HH TYR A 115 27.751 -5.059 9.892 1.00 12.37 H new ATOM 883 N VAL A 116 25.894 -9.300 15.785 1.00 11.24 N ATOM 884 CA VAL A 116 25.777 -8.768 17.140 1.00 11.53 C ATOM 885 C VAL A 116 26.968 -7.854 17.463 1.00 11.86 C ATOM 886 O VAL A 116 28.015 -7.957 16.821 1.00 12.55 O ATOM 887 CB VAL A 116 25.706 -9.906 18.205 1.00 11.58 C ATOM 888 CG1 VAL A 116 24.370 -10.681 18.118 1.00 11.04 C ATOM 889 CG2 VAL A 116 26.892 -10.861 18.060 1.00 10.30 C ATOM 0 H VAL A 116 26.687 -9.548 15.563 1.00 11.24 H new ATOM 0 HA VAL A 116 24.951 -8.260 17.176 1.00 11.53 H new ATOM 0 HB VAL A 116 25.751 -9.490 19.080 1.00 11.58 H new ATOM 0 HG11 VAL A 116 24.357 -11.380 18.791 1.00 11.04 H new ATOM 0 HG12 VAL A 116 23.631 -10.071 18.271 1.00 11.04 H new ATOM 0 HG13 VAL A 116 24.283 -11.079 17.238 1.00 11.04 H new ATOM 0 HG21 VAL A 116 26.829 -11.560 18.730 1.00 10.30 H new ATOM 0 HG22 VAL A 116 26.880 -11.260 17.176 1.00 10.30 H new ATOM 0 HG23 VAL A 116 27.720 -10.370 18.182 1.00 10.30 H new ATOM 890 N PRO A 117 26.811 -6.970 18.465 1.00 12.63 N ATOM 891 CA PRO A 117 27.901 -6.060 18.818 1.00 12.49 C ATOM 892 C PRO A 117 29.084 -6.800 19.410 1.00 12.27 C ATOM 893 O PRO A 117 28.925 -7.638 20.317 1.00 12.04 O ATOM 894 CB PRO A 117 27.263 -5.111 19.852 1.00 12.67 C ATOM 895 CG PRO A 117 25.786 -5.300 19.702 1.00 13.53 C ATOM 896 CD PRO A 117 25.626 -6.747 19.314 1.00 12.45 C ATOM 0 HA PRO A 117 28.257 -5.594 18.045 1.00 12.49 H new ATOM 0 HB2 PRO A 117 27.554 -5.327 20.752 1.00 12.67 H new ATOM 0 HB3 PRO A 117 27.517 -4.190 19.685 1.00 12.67 H new ATOM 0 HG2 PRO A 117 25.319 -5.103 20.529 1.00 13.53 H new ATOM 0 HG3 PRO A 117 25.422 -4.710 19.023 1.00 13.53 H new ATOM 0 HD2 PRO A 117 25.619 -7.332 20.088 1.00 12.45 H new ATOM 0 HD3 PRO A 117 24.799 -6.904 18.832 1.00 12.45 H new ATOM 897 N VAL A 118 30.268 -6.482 18.899 1.00 12.18 N ATOM 898 CA VAL A 118 31.494 -7.116 19.373 1.00 12.70 C ATOM 899 C VAL A 118 32.564 -6.104 19.800 1.00 12.31 C ATOM 900 O VAL A 118 33.578 -6.492 20.375 1.00 11.89 O ATOM 901 CB VAL A 118 32.073 -8.123 18.339 1.00 12.58 C ATOM 902 CG1 VAL A 118 31.101 -9.285 18.113 1.00 14.04 C ATOM 903 CG2 VAL A 118 32.371 -7.438 16.986 1.00 13.14 C ATOM 0 H VAL A 118 30.384 -5.901 18.276 1.00 12.18 H new ATOM 0 HA VAL A 118 31.238 -7.614 20.165 1.00 12.70 H new ATOM 0 HB VAL A 118 32.905 -8.462 18.705 1.00 12.58 H new ATOM 0 HG11 VAL A 118 31.478 -9.902 17.466 1.00 14.04 H new ATOM 0 HG12 VAL A 118 30.950 -9.749 18.952 1.00 14.04 H new ATOM 0 HG13 VAL A 118 30.258 -8.941 17.778 1.00 14.04 H new ATOM 0 HG21 VAL A 118 32.730 -8.091 16.365 1.00 13.14 H new ATOM 0 HG22 VAL A 118 31.552 -7.065 16.625 1.00 13.14 H new ATOM 0 HG23 VAL A 118 33.019 -6.728 17.118 1.00 13.14 H new ATOM 904 N HIS A 119 32.333 -4.822 19.528 1.00 11.70 N ATOM 905 CA HIS A 119 33.341 -3.796 19.821 1.00 12.07 C ATOM 906 C HIS A 119 32.657 -2.459 19.996 1.00 11.91 C ATOM 907 O HIS A 119 31.745 -2.115 19.228 1.00 13.15 O ATOM 908 CB HIS A 119 34.370 -3.766 18.687 1.00 12.66 C ATOM 909 CG HIS A 119 35.152 -2.493 18.578 1.00 12.37 C ATOM 910 ND1 HIS A 119 36.347 -2.302 19.238 1.00 13.61 N ATOM 911 CD2 HIS A 119 34.943 -1.374 17.843 1.00 13.05 C ATOM 912 CE1 HIS A 119 36.823 -1.104 18.940 1.00 12.72 C ATOM 913 NE2 HIS A 119 35.995 -0.529 18.086 1.00 12.18 N ATOM 0 H HIS A 119 31.607 -4.524 19.177 1.00 11.70 H new ATOM 0 HA HIS A 119 33.809 -4.001 20.646 1.00 12.07 H new ATOM 0 HB2 HIS A 119 34.990 -4.502 18.811 1.00 12.66 H new ATOM 0 HB3 HIS A 119 33.911 -3.921 17.847 1.00 12.66 H new ATOM 0 HD2 HIS A 119 34.222 -1.210 17.280 1.00 13.05 H new ATOM 0 HE1 HIS A 119 37.606 -0.731 19.274 1.00 12.72 H new ATOM 0 HE2 HIS A 119 36.099 0.251 17.738 1.00 12.18 H new ATOM 914 N PHE A 120 33.088 -1.716 21.006 1.00 10.94 N ATOM 915 CA PHE A 120 32.592 -0.366 21.214 1.00 10.66 C ATOM 916 C PHE A 120 33.551 0.619 20.561 1.00 10.93 C ATOM 917 O PHE A 120 34.713 0.718 20.970 1.00 11.20 O ATOM 918 CB PHE A 120 32.482 -0.070 22.711 1.00 11.03 C ATOM 919 CG PHE A 120 31.702 1.159 23.004 1.00 10.39 C ATOM 920 CD1 PHE A 120 32.326 2.409 23.030 1.00 10.20 C ATOM 921 CD2 PHE A 120 30.334 1.076 23.223 1.00 11.64 C ATOM 922 CE1 PHE A 120 31.590 3.560 23.283 1.00 10.43 C ATOM 923 CE2 PHE A 120 29.593 2.225 23.485 1.00 11.88 C ATOM 924 CZ PHE A 120 30.227 3.463 23.516 1.00 10.49 C ATOM 0 H PHE A 120 33.669 -1.977 21.584 1.00 10.94 H new ATOM 0 HA PHE A 120 31.712 -0.280 20.816 1.00 10.66 H new ATOM 0 HB2 PHE A 120 32.065 -0.825 23.155 1.00 11.03 H new ATOM 0 HB3 PHE A 120 33.373 0.022 23.084 1.00 11.03 H new ATOM 0 HD1 PHE A 120 33.241 2.471 22.877 1.00 10.20 H new ATOM 0 HD2 PHE A 120 29.910 0.249 23.195 1.00 11.64 H new ATOM 0 HE1 PHE A 120 32.009 4.390 23.296 1.00 10.43 H new ATOM 0 HE2 PHE A 120 28.678 2.165 23.639 1.00 11.88 H new ATOM 0 HZ PHE A 120 29.733 4.231 23.694 1.00 10.49 H new ATOM 925 N ASP A 121 33.088 1.345 19.542 1.00 10.38 N ATOM 926 CA ASP A 121 34.002 2.201 18.780 1.00 10.66 C ATOM 927 C ASP A 121 34.058 3.621 19.317 1.00 11.16 C ATOM 928 O ASP A 121 35.129 4.210 19.402 1.00 11.12 O ATOM 929 CB ASP A 121 33.633 2.206 17.293 1.00 11.00 C ATOM 930 CG ASP A 121 34.860 2.326 16.378 1.00 12.43 C ATOM 931 OD1 ASP A 121 35.886 1.653 16.628 1.00 11.68 O ATOM 932 OD2 ASP A 121 34.771 3.075 15.391 1.00 11.56 O ATOM 0 H ASP A 121 32.269 1.358 19.280 1.00 10.38 H new ATOM 0 HA ASP A 121 34.889 1.822 18.884 1.00 10.66 H new ATOM 0 HB2 ASP A 121 33.154 1.390 17.080 1.00 11.00 H new ATOM 0 HB3 ASP A 121 33.029 2.944 17.116 1.00 11.00 H new ATOM 933 N ALA A 122 32.902 4.156 19.695 1.00 10.97 N ATOM 934 CA ALA A 122 32.819 5.558 20.087 1.00 11.95 C ATOM 935 C ALA A 122 31.464 5.905 20.664 1.00 12.54 C ATOM 936 O ALA A 122 30.487 5.185 20.483 1.00 11.53 O ATOM 937 CB ALA A 122 33.108 6.453 18.897 1.00 11.85 C ATOM 0 H ALA A 122 32.158 3.727 19.731 1.00 10.97 H new ATOM 0 HA ALA A 122 33.485 5.704 20.777 1.00 11.95 H new ATOM 0 HB1 ALA A 122 33.050 7.382 19.169 1.00 11.85 H new ATOM 0 HB2 ALA A 122 34.000 6.269 18.563 1.00 11.85 H new ATOM 0 HB3 ALA A 122 32.459 6.281 18.197 1.00 11.85 H new ATOM 938 N SER A 123 31.440 7.022 21.375 1.00 13.57 N ATOM 939 CA SER A 123 30.192 7.687 21.734 1.00 14.67 C ATOM 940 C SER A 123 30.262 9.106 21.174 1.00 15.35 C ATOM 941 O SER A 123 31.321 9.747 21.223 1.00 15.79 O ATOM 942 CB SER A 123 29.979 7.682 23.240 1.00 15.33 C ATOM 943 OG SER A 123 30.917 8.516 23.901 1.00 16.34 O ATOM 0 H SER A 123 32.146 7.418 21.665 1.00 13.57 H new ATOM 0 HA SER A 123 29.432 7.217 21.357 1.00 14.67 H new ATOM 0 HB2 SER A 123 29.079 7.982 23.442 1.00 15.33 H new ATOM 0 HB3 SER A 123 30.057 6.775 23.576 1.00 15.33 H new ATOM 0 HG SER A 123 31.227 8.114 24.570 1.00 16.34 H new ATOM 944 N VAL A 124 29.154 9.569 20.607 1.00 15.56 N ATOM 945 CA VAL A 124 29.112 10.864 19.928 1.00 16.67 C ATOM 946 C VAL A 124 27.870 11.669 20.285 1.00 16.52 C ATOM 947 O VAL A 124 26.844 11.113 20.665 1.00 16.98 O ATOM 948 CB VAL A 124 29.204 10.722 18.376 1.00 16.61 C ATOM 949 CG1 VAL A 124 30.531 10.061 17.968 1.00 17.40 C ATOM 950 CG2 VAL A 124 28.017 9.943 17.818 1.00 18.49 C ATOM 951 OXT VAL A 124 27.865 12.896 20.179 1.00 17.01 O ATOM 0 H VAL A 124 28.406 9.145 20.604 1.00 15.56 H new ATOM 0 HA VAL A 124 29.893 11.344 20.245 1.00 16.67 H new ATOM 0 HB VAL A 124 29.177 11.614 17.995 1.00 16.61 H new ATOM 0 HG11 VAL A 124 30.570 9.982 17.002 1.00 17.40 H new ATOM 0 HG12 VAL A 124 31.272 10.605 18.277 1.00 17.40 H new ATOM 0 HG13 VAL A 124 30.589 9.179 18.367 1.00 17.40 H new ATOM 0 HG21 VAL A 124 28.101 9.871 16.854 1.00 18.49 H new ATOM 0 HG22 VAL A 124 28.000 9.055 18.208 1.00 18.49 H new ATOM 0 HG23 VAL A 124 27.194 10.407 18.036 1.00 18.49 H new TER 952 VAL A 124 ATOM 953 N LYS B 1 22.787 16.780 7.316 1.00 21.39 N ATOM 954 CA LYS B 1 21.457 16.126 7.512 1.00 21.26 C ATOM 955 C LYS B 1 21.400 14.725 6.907 1.00 20.45 C ATOM 956 O LYS B 1 22.330 14.289 6.223 1.00 20.91 O ATOM 957 CB LYS B 1 20.327 16.988 6.935 1.00 21.67 C ATOM 958 CG LYS B 1 20.484 17.336 5.458 1.00 23.33 C ATOM 959 CD LYS B 1 19.132 17.455 4.772 1.00 26.03 C ATOM 960 CE LYS B 1 19.266 18.163 3.428 1.00 27.94 C ATOM 961 NZ LYS B 1 18.157 17.796 2.497 1.00 29.12 N ATOM 0 H1 LYS B 1 22.669 17.640 7.121 1.00 21.39 H new ATOM 0 H2 LYS B 1 23.266 16.709 8.063 1.00 21.39 H new ATOM 0 H3 LYS B 1 23.219 16.381 6.648 1.00 21.39 H new ATOM 0 HA LYS B 1 21.334 16.039 8.470 1.00 21.26 H new ATOM 0 HB2 LYS B 1 19.486 16.521 7.057 1.00 21.67 H new ATOM 0 HB3 LYS B 1 20.272 17.811 7.445 1.00 21.67 H new ATOM 0 HG2 LYS B 1 20.968 18.172 5.370 1.00 23.33 H new ATOM 0 HG3 LYS B 1 21.014 16.653 5.017 1.00 23.33 H new ATOM 0 HD2 LYS B 1 18.753 16.572 4.641 1.00 26.03 H new ATOM 0 HD3 LYS B 1 18.518 17.946 5.341 1.00 26.03 H new ATOM 0 HE2 LYS B 1 19.268 19.123 3.567 1.00 27.94 H new ATOM 0 HE3 LYS B 1 20.117 17.933 3.024 1.00 27.94 H new ATOM 0 HZ1 LYS B 1 18.264 18.224 1.724 1.00 29.12 H new ATOM 0 HZ2 LYS B 1 18.168 16.918 2.353 1.00 29.12 H new ATOM 0 HZ3 LYS B 1 17.377 18.027 2.858 1.00 29.12 H new ATOM 962 N GLU B 2 20.289 14.039 7.150 1.00 19.55 N ATOM 963 CA GLU B 2 20.085 12.678 6.689 1.00 18.59 C ATOM 964 C GLU B 2 19.906 12.609 5.173 1.00 17.76 C ATOM 965 O GLU B 2 19.118 13.363 4.608 1.00 17.87 O ATOM 966 CB GLU B 2 18.836 12.121 7.363 1.00 18.82 C ATOM 967 CG GLU B 2 18.729 10.632 7.303 1.00 18.56 C ATOM 968 CD GLU B 2 17.591 10.117 8.152 1.00 18.07 C ATOM 969 OE1 GLU B 2 16.548 10.811 8.228 1.00 17.25 O ATOM 970 OE2 GLU B 2 17.758 9.033 8.751 1.00 17.32 O ATOM 0 H GLU B 2 19.625 14.358 7.594 1.00 19.55 H new ATOM 0 HA GLU B 2 20.871 12.157 6.918 1.00 18.59 H new ATOM 0 HB2 GLU B 2 18.829 12.400 8.292 1.00 18.82 H new ATOM 0 HB3 GLU B 2 18.052 12.510 6.944 1.00 18.82 H new ATOM 0 HG2 GLU B 2 18.598 10.354 6.383 1.00 18.56 H new ATOM 0 HG3 GLU B 2 19.562 10.235 7.603 1.00 18.56 H new ATOM 971 N THR B 3 20.627 11.703 4.518 1.00 16.95 N ATOM 972 CA THR B 3 20.424 11.498 3.085 1.00 16.18 C ATOM 973 C THR B 3 19.136 10.719 2.890 1.00 16.19 C ATOM 974 O THR B 3 18.684 10.016 3.799 1.00 15.82 O ATOM 975 CB THR B 3 21.558 10.698 2.409 1.00 16.34 C ATOM 976 OG1 THR B 3 21.528 9.343 2.869 1.00 15.92 O ATOM 977 CG2 THR B 3 22.928 11.310 2.683 1.00 15.27 C ATOM 0 H THR B 3 21.229 11.204 4.876 1.00 16.95 H new ATOM 0 HA THR B 3 20.399 12.377 2.677 1.00 16.18 H new ATOM 0 HB THR B 3 21.412 10.726 1.450 1.00 16.34 H new ATOM 0 HG1 THR B 3 22.269 8.979 2.717 1.00 15.92 H new ATOM 0 HG21 THR B 3 23.612 10.782 2.244 1.00 15.27 H new ATOM 0 HG22 THR B 3 22.951 12.217 2.341 1.00 15.27 H new ATOM 0 HG23 THR B 3 23.093 11.321 3.639 1.00 15.27 H new ATOM 978 N ALA B 4 18.560 10.840 1.698 1.00 15.94 N ATOM 979 CA ALA B 4 17.371 10.074 1.347 1.00 15.13 C ATOM 980 C ALA B 4 17.625 8.563 1.495 1.00 15.05 C ATOM 981 O ALA B 4 16.790 7.845 2.046 1.00 15.38 O ATOM 982 CB ALA B 4 16.937 10.414 -0.074 1.00 15.60 C ATOM 0 H ALA B 4 18.844 11.362 1.077 1.00 15.94 H new ATOM 0 HA ALA B 4 16.657 10.313 1.958 1.00 15.13 H new ATOM 0 HB1 ALA B 4 16.146 9.902 -0.302 1.00 15.60 H new ATOM 0 HB2 ALA B 4 16.737 11.361 -0.133 1.00 15.60 H new ATOM 0 HB3 ALA B 4 17.652 10.196 -0.692 1.00 15.60 H new ATOM 983 N ALA B 5 18.782 8.096 1.021 1.00 14.79 N ATOM 984 CA ALA B 5 19.150 6.669 1.140 1.00 14.33 C ATOM 985 C ALA B 5 19.216 6.244 2.614 1.00 14.13 C ATOM 986 O ALA B 5 18.699 5.186 2.999 1.00 13.24 O ATOM 987 CB ALA B 5 20.492 6.404 0.440 1.00 14.79 C ATOM 0 H ALA B 5 19.371 8.583 0.627 1.00 14.79 H new ATOM 0 HA ALA B 5 18.464 6.139 0.704 1.00 14.33 H new ATOM 0 HB1 ALA B 5 20.722 5.465 0.525 1.00 14.79 H new ATOM 0 HB2 ALA B 5 20.418 6.634 -0.499 1.00 14.79 H new ATOM 0 HB3 ALA B 5 21.184 6.945 0.852 1.00 14.79 H new ATOM 988 N ALA B 6 19.834 7.080 3.441 1.00 13.55 N ATOM 989 CA ALA B 6 19.941 6.774 4.870 1.00 13.70 C ATOM 990 C ALA B 6 18.579 6.787 5.555 1.00 13.59 C ATOM 991 O ALA B 6 18.322 5.951 6.441 1.00 13.59 O ATOM 992 CB ALA B 6 20.902 7.736 5.563 1.00 13.26 C ATOM 0 H ALA B 6 20.196 7.823 3.202 1.00 13.55 H new ATOM 0 HA ALA B 6 20.298 5.875 4.946 1.00 13.70 H new ATOM 0 HB1 ALA B 6 20.957 7.515 6.506 1.00 13.26 H new ATOM 0 HB2 ALA B 6 21.782 7.660 5.162 1.00 13.26 H new ATOM 0 HB3 ALA B 6 20.579 8.645 5.463 1.00 13.26 H new ATOM 993 N LYS B 7 17.726 7.745 5.175 1.00 13.20 N ATOM 994 CA LYS B 7 16.358 7.815 5.705 1.00 13.69 C ATOM 995 C LYS B 7 15.595 6.526 5.369 1.00 13.67 C ATOM 996 O LYS B 7 14.921 5.955 6.230 1.00 13.81 O ATOM 997 CB LYS B 7 15.608 9.067 5.202 1.00 13.82 C ATOM 998 CG LYS B 7 14.172 9.176 5.745 1.00 14.41 C ATOM 999 CD LYS B 7 13.568 10.537 5.537 1.00 17.88 C ATOM 1000 CE LYS B 7 12.073 10.508 5.851 1.00 19.83 C ATOM 1001 NZ LYS B 7 11.414 11.848 5.754 1.00 21.90 N ATOM 0 H LYS B 7 17.920 8.364 4.611 1.00 13.20 H new ATOM 0 HA LYS B 7 16.413 7.896 6.670 1.00 13.69 H new ATOM 0 HB2 LYS B 7 16.105 9.859 5.459 1.00 13.82 H new ATOM 0 HB3 LYS B 7 15.580 9.052 4.233 1.00 13.82 H new ATOM 0 HG2 LYS B 7 13.616 8.511 5.310 1.00 14.41 H new ATOM 0 HG3 LYS B 7 14.173 8.969 6.693 1.00 14.41 H new ATOM 0 HD2 LYS B 7 14.012 11.185 6.106 1.00 17.88 H new ATOM 0 HD3 LYS B 7 13.707 10.823 4.620 1.00 17.88 H new ATOM 0 HE2 LYS B 7 11.634 9.895 5.241 1.00 19.83 H new ATOM 0 HE3 LYS B 7 11.945 10.157 6.746 1.00 19.83 H new ATOM 0 HZ1 LYS B 7 10.549 11.768 5.947 1.00 21.90 H new ATOM 0 HZ2 LYS B 7 11.795 12.409 6.330 1.00 21.90 H new ATOM 0 HZ3 LYS B 7 11.505 12.165 4.927 1.00 21.90 H new ATOM 1002 N PHE B 8 15.743 6.053 4.127 1.00 12.70 N ATOM 1003 CA PHE B 8 15.155 4.768 3.724 1.00 12.65 C ATOM 1004 C PHE B 8 15.619 3.628 4.638 1.00 13.02 C ATOM 1005 O PHE B 8 14.805 2.805 5.097 1.00 14.43 O ATOM 1006 CB PHE B 8 15.481 4.447 2.255 1.00 11.79 C ATOM 1007 CG PHE B 8 14.902 3.150 1.796 1.00 12.52 C ATOM 1008 CD1 PHE B 8 13.606 3.093 1.292 1.00 11.36 C ATOM 1009 CD2 PHE B 8 15.635 1.977 1.916 1.00 11.55 C ATOM 1010 CE1 PHE B 8 13.052 1.895 0.862 1.00 12.34 C ATOM 1011 CE2 PHE B 8 15.089 0.749 1.526 1.00 11.46 C ATOM 1012 CZ PHE B 8 13.790 0.706 0.995 1.00 11.96 C ATOM 0 H PHE B 8 16.178 6.458 3.505 1.00 12.70 H new ATOM 0 HA PHE B 8 14.193 4.850 3.813 1.00 12.65 H new ATOM 0 HB2 PHE B 8 15.146 5.162 1.691 1.00 11.79 H new ATOM 0 HB3 PHE B 8 16.444 4.423 2.141 1.00 11.79 H new ATOM 0 HD1 PHE B 8 13.101 3.873 1.242 1.00 11.36 H new ATOM 0 HD2 PHE B 8 16.499 2.008 2.259 1.00 11.55 H new ATOM 0 HE1 PHE B 8 12.200 1.879 0.489 1.00 12.34 H new ATOM 0 HE2 PHE B 8 15.583 -0.033 1.618 1.00 11.46 H new ATOM 0 HZ PHE B 8 13.419 -0.106 0.732 1.00 11.96 H new ATOM 1013 N GLU B 9 16.920 3.583 4.919 1.00 13.80 N ATOM 1014 CA GLU B 9 17.462 2.499 5.736 1.00 14.07 C ATOM 1015 C GLU B 9 16.900 2.598 7.151 1.00 13.80 C ATOM 1016 O GLU B 9 16.570 1.587 7.775 1.00 13.95 O ATOM 1017 CB GLU B 9 18.995 2.530 5.732 1.00 14.36 C ATOM 1018 CG GLU B 9 19.598 2.174 4.374 1.00 15.83 C ATOM 1019 CD GLU B 9 21.116 2.113 4.416 1.00 15.71 C ATOM 1020 OE1 GLU B 9 21.677 1.856 5.500 1.00 19.90 O ATOM 1021 OE2 GLU B 9 21.754 2.304 3.368 1.00 16.53 O ATOM 0 H GLU B 9 17.498 4.161 4.651 1.00 13.80 H new ATOM 0 HA GLU B 9 17.193 1.647 5.359 1.00 14.07 H new ATOM 0 HB2 GLU B 9 19.296 3.415 5.991 1.00 14.36 H new ATOM 0 HB3 GLU B 9 19.327 1.910 6.400 1.00 14.36 H new ATOM 0 HG2 GLU B 9 19.250 1.317 4.082 1.00 15.83 H new ATOM 0 HG3 GLU B 9 19.321 2.831 3.717 1.00 15.83 H new ATOM 1022 N ARG B 10 16.750 3.824 7.641 1.00 13.40 N ATOM 1023 CA ARG B 10 16.280 4.021 9.001 1.00 13.42 C ATOM 1024 C ARG B 10 14.809 3.627 9.099 1.00 13.54 C ATOM 1025 O ARG B 10 14.408 2.940 10.036 1.00 14.08 O ATOM 1026 CB ARG B 10 16.472 5.482 9.439 1.00 12.96 C ATOM 1027 CG ARG B 10 15.861 5.784 10.812 1.00 12.68 C ATOM 1028 CD ARG B 10 16.176 7.200 11.300 1.00 13.86 C ATOM 1029 NE ARG B 10 15.710 8.268 10.416 1.00 14.69 N ATOM 1030 CZ ARG B 10 14.477 8.768 10.399 1.00 13.61 C ATOM 1031 NH1 ARG B 10 13.531 8.281 11.202 1.00 13.93 N ATOM 1032 NH2 ARG B 10 14.180 9.757 9.557 1.00 13.40 N ATOM 0 H ARG B 10 16.914 4.547 7.205 1.00 13.40 H new ATOM 0 HA ARG B 10 16.801 3.458 9.595 1.00 13.42 H new ATOM 0 HB2 ARG B 10 17.420 5.685 9.461 1.00 12.96 H new ATOM 0 HB3 ARG B 10 16.072 6.068 8.777 1.00 12.96 H new ATOM 0 HG2 ARG B 10 14.899 5.668 10.766 1.00 12.68 H new ATOM 0 HG3 ARG B 10 16.194 5.142 11.458 1.00 12.68 H new ATOM 0 HD2 ARG B 10 15.777 7.324 12.175 1.00 13.86 H new ATOM 0 HD3 ARG B 10 17.136 7.285 11.412 1.00 13.86 H new ATOM 0 HE ARG B 10 16.279 8.600 9.863 1.00 14.69 H new ATOM 0 HH11 ARG B 10 13.714 7.636 11.740 1.00 13.93 H new ATOM 0 HH12 ARG B 10 12.738 8.612 11.182 1.00 13.93 H new ATOM 0 HH21 ARG B 10 14.783 10.068 9.029 1.00 13.40 H new ATOM 0 HH22 ARG B 10 13.385 10.084 9.541 1.00 13.40 H new ATOM 1033 N GLN B 11 14.016 4.050 8.116 1.00 14.19 N ATOM 1034 CA GLN B 11 12.575 3.821 8.183 1.00 14.70 C ATOM 1035 C GLN B 11 12.149 2.424 7.753 1.00 15.11 C ATOM 1036 O GLN B 11 11.099 1.940 8.190 1.00 14.75 O ATOM 1037 CB GLN B 11 11.820 4.873 7.365 1.00 15.07 C ATOM 1038 CG GLN B 11 12.140 6.289 7.776 1.00 15.60 C ATOM 1039 CD GLN B 11 11.171 7.289 7.180 1.00 19.94 C ATOM 1040 OE1 GLN B 11 10.571 8.081 7.902 1.00 21.98 O ATOM 1041 NE2 GLN B 11 10.995 7.241 5.863 1.00 17.64 N ATOM 0 H GLN B 11 14.287 4.465 7.413 1.00 14.19 H new ATOM 0 HA GLN B 11 12.342 3.901 9.121 1.00 14.70 H new ATOM 0 HB2 GLN B 11 12.035 4.759 6.426 1.00 15.07 H new ATOM 0 HB3 GLN B 11 10.866 4.723 7.458 1.00 15.07 H new ATOM 0 HG2 GLN B 11 12.118 6.356 8.743 1.00 15.60 H new ATOM 0 HG3 GLN B 11 13.042 6.509 7.497 1.00 15.60 H new ATOM 0 HE21 GLN B 11 11.434 6.672 5.391 1.00 17.64 H new ATOM 0 HE22 GLN B 11 10.442 7.779 5.483 1.00 17.64 H new ATOM 1042 N HIS B 12 12.927 1.783 6.879 1.00 14.62 N ATOM 1043 CA HIS B 12 12.410 0.586 6.190 1.00 15.63 C ATOM 1044 C HIS B 12 13.257 -0.674 6.195 1.00 16.40 C ATOM 1045 O HIS B 12 12.773 -1.730 5.776 1.00 17.03 O ATOM 1046 CB HIS B 12 12.017 0.936 4.751 1.00 15.67 C ATOM 1047 CG HIS B 12 10.990 2.015 4.671 1.00 14.14 C ATOM 1048 ND1 HIS B 12 9.714 1.865 5.177 1.00 13.34 N ATOM 1049 CD2 HIS B 12 11.060 3.277 4.190 1.00 14.15 C ATOM 1050 CE1 HIS B 12 9.040 2.986 4.995 1.00 12.89 C ATOM 1051 NE2 HIS B 12 9.831 3.854 4.390 1.00 13.52 N ATOM 0 H HIS B 12 13.730 2.011 6.672 1.00 14.62 H new ATOM 0 HA HIS B 12 11.648 0.340 6.738 1.00 15.63 H new ATOM 0 HB2 HIS B 12 12.808 1.213 4.264 1.00 15.67 H new ATOM 0 HB3 HIS B 12 11.678 0.141 4.312 1.00 15.67 H new ATOM 0 HD1 HIS B 12 9.407 1.154 5.551 1.00 13.34 H new ATOM 0 HD2 HIS B 12 11.801 3.678 3.798 1.00 14.15 H new ATOM 0 HE1 HIS B 12 8.159 3.138 5.249 1.00 12.89 H new ATOM 1052 N MET B 13 14.508 -0.566 6.632 1.00 17.43 N ATOM 1053 CA MET B 13 15.382 -1.733 6.670 1.00 17.63 C ATOM 1054 C MET B 13 15.524 -2.340 8.061 1.00 18.57 C ATOM 1055 O MET B 13 15.857 -1.644 9.018 1.00 18.67 O ATOM 1056 CB MET B 13 16.768 -1.375 6.140 1.00 17.84 C ATOM 1057 CG MET B 13 16.807 -1.084 4.652 1.00 16.77 C ATOM 1058 SD MET B 13 16.324 -2.487 3.624 1.00 15.33 S ATOM 1059 CE MET B 13 17.541 -3.717 4.118 1.00 15.35 C ATOM 0 H MET B 13 14.867 0.165 6.908 1.00 17.43 H new ATOM 0 HA MET B 13 14.961 -2.400 6.105 1.00 17.63 H new ATOM 0 HB2 MET B 13 17.096 -0.599 6.620 1.00 17.84 H new ATOM 0 HB3 MET B 13 17.376 -2.106 6.333 1.00 17.84 H new ATOM 0 HG2 MET B 13 16.219 -0.336 4.461 1.00 16.77 H new ATOM 0 HG3 MET B 13 17.704 -0.809 4.408 1.00 16.77 H new ATOM 0 HE1 MET B 13 17.614 -4.395 3.428 1.00 15.35 H new ATOM 0 HE2 MET B 13 18.402 -3.289 4.243 1.00 15.35 H new ATOM 0 HE3 MET B 13 17.263 -4.131 4.950 1.00 15.35 H new ATOM 1060 N ASP B 14 15.297 -3.648 8.151 1.00 19.52 N ATOM 1061 CA ASP B 14 15.667 -4.398 9.342 1.00 21.28 C ATOM 1062 C ASP B 14 16.200 -5.765 8.936 1.00 22.88 C ATOM 1063 O ASP B 14 15.471 -6.757 8.935 1.00 22.21 O ATOM 1064 CB ASP B 14 14.505 -4.515 10.340 1.00 21.08 C ATOM 1065 CG ASP B 14 14.929 -5.178 11.657 1.00 20.88 C ATOM 1066 OD1 ASP B 14 16.145 -5.400 11.849 1.00 19.77 O ATOM 1067 OD2 ASP B 14 14.056 -5.493 12.494 1.00 19.89 O ATOM 0 H ASP B 14 14.929 -4.118 7.532 1.00 19.52 H new ATOM 0 HA ASP B 14 16.368 -3.911 9.804 1.00 21.28 H new ATOM 0 HB2 ASP B 14 14.151 -3.631 10.525 1.00 21.08 H new ATOM 0 HB3 ASP B 14 13.788 -5.030 9.938 1.00 21.08 H new ATOM 1068 N SER B 15 17.489 -5.787 8.602 1.00 25.57 N ATOM 1069 CA SER B 15 18.182 -6.981 8.128 1.00 28.21 C ATOM 1070 C SER B 15 18.565 -7.932 9.256 1.00 29.29 C ATOM 1071 O SER B 15 19.112 -9.012 9.006 1.00 30.00 O ATOM 1072 CB SER B 15 19.451 -6.575 7.377 1.00 27.51 C ATOM 1073 OG SER B 15 19.135 -5.716 6.297 1.00 31.02 O ATOM 0 H SER B 15 17.995 -5.093 8.646 1.00 25.57 H new ATOM 0 HA SER B 15 17.565 -7.449 7.544 1.00 28.21 H new ATOM 0 HB2 SER B 15 20.063 -6.130 7.983 1.00 27.51 H new ATOM 0 HB3 SER B 15 19.905 -7.366 7.046 1.00 27.51 H new ATOM 0 HG SER B 15 18.639 -6.120 5.753 1.00 31.02 H new ATOM 1074 N SER B 16 18.294 -7.520 10.492 1.00 30.84 N ATOM 1075 CA SER B 16 18.722 -8.248 11.680 1.00 32.09 C ATOM 1076 C SER B 16 18.025 -9.594 11.886 1.00 32.61 C ATOM 1077 O SER B 16 18.646 -10.554 12.360 1.00 32.72 O ATOM 1078 CB SER B 16 18.504 -7.381 12.920 1.00 32.38 C ATOM 1079 OG SER B 16 17.124 -7.293 13.238 1.00 33.63 O ATOM 0 H SER B 16 17.852 -6.803 10.665 1.00 30.84 H new ATOM 0 HA SER B 16 19.662 -8.445 11.542 1.00 32.09 H new ATOM 0 HB2 SER B 16 18.990 -7.756 13.671 1.00 32.38 H new ATOM 0 HB3 SER B 16 18.862 -6.493 12.766 1.00 32.38 H new ATOM 0 HG SER B 16 16.740 -6.793 12.683 1.00 33.63 H new ATOM 1080 N THR B 17 16.739 -9.651 11.551 1.00 33.10 N ATOM 1081 CA THR B 17 15.905 -10.814 11.860 1.00 33.72 C ATOM 1082 C THR B 17 15.150 -11.322 10.627 1.00 34.32 C ATOM 1083 O THR B 17 14.760 -10.536 9.762 1.00 34.52 O ATOM 1084 CB THR B 17 14.920 -10.502 13.027 1.00 33.66 C ATOM 1085 OG1 THR B 17 14.240 -11.700 13.434 1.00 33.58 O ATOM 1086 CG2 THR B 17 13.896 -9.423 12.617 1.00 33.66 C ATOM 0 H THR B 17 16.325 -9.020 11.139 1.00 33.10 H new ATOM 0 HA THR B 17 16.500 -11.525 12.146 1.00 33.72 H new ATOM 0 HB THR B 17 15.436 -10.160 13.774 1.00 33.66 H new ATOM 0 HG1 THR B 17 13.420 -11.628 13.266 1.00 33.58 H new ATOM 0 HG21 THR B 17 13.296 -9.247 13.359 1.00 33.66 H new ATOM 0 HG22 THR B 17 14.363 -8.607 12.379 1.00 33.66 H new ATOM 0 HG23 THR B 17 13.384 -9.736 11.855 1.00 33.66 H new ATOM 1087 N SER B 18 14.951 -12.637 10.561 1.00 34.85 N ATOM 1088 CA SER B 18 14.234 -13.280 9.453 1.00 35.41 C ATOM 1089 C SER B 18 12.741 -12.914 9.407 1.00 35.62 C ATOM 1090 O SER B 18 12.140 -12.852 8.329 1.00 35.69 O ATOM 1091 CB SER B 18 14.400 -14.800 9.535 1.00 35.31 C ATOM 1092 OG SER B 18 13.786 -15.445 8.434 1.00 35.88 O ATOM 0 H SER B 18 15.229 -13.187 11.161 1.00 34.85 H new ATOM 0 HA SER B 18 14.628 -12.946 8.632 1.00 35.41 H new ATOM 0 HB2 SER B 18 15.344 -15.024 9.558 1.00 35.31 H new ATOM 0 HB3 SER B 18 14.011 -15.126 10.362 1.00 35.31 H new ATOM 0 HG SER B 18 13.892 -16.276 8.501 1.00 35.88 H new ATOM 1093 N ALA B 19 12.160 -12.688 10.586 1.00 35.89 N ATOM 1094 CA ALA B 19 10.752 -12.317 10.741 1.00 36.13 C ATOM 1095 C ALA B 19 10.579 -11.490 12.019 1.00 36.33 C ATOM 1096 O ALA B 19 11.482 -11.453 12.861 1.00 36.48 O ATOM 1097 CB ALA B 19 9.874 -13.571 10.782 1.00 36.05 C ATOM 0 H ALA B 19 12.582 -12.747 11.333 1.00 35.89 H new ATOM 0 HA ALA B 19 10.475 -11.781 9.981 1.00 36.13 H new ATOM 0 HB1 ALA B 19 8.945 -13.312 10.885 1.00 36.05 H new ATOM 0 HB2 ALA B 19 9.981 -14.069 9.956 1.00 36.05 H new ATOM 0 HB3 ALA B 19 10.139 -14.127 11.531 1.00 36.05 H new ATOM 1098 N ALA B 20 9.427 -10.831 12.166 1.00 36.48 N ATOM 1099 CA ALA B 20 9.154 -9.989 13.342 1.00 36.57 C ATOM 1100 C ALA B 20 9.228 -10.782 14.652 1.00 36.63 C ATOM 1101 O ALA B 20 8.589 -11.829 14.791 1.00 36.56 O ATOM 1102 CB ALA B 20 7.803 -9.299 13.198 1.00 36.63 C ATOM 0 H ALA B 20 8.785 -10.857 11.594 1.00 36.48 H new ATOM 0 HA ALA B 20 9.848 -9.312 13.383 1.00 36.57 H new ATOM 0 HB1 ALA B 20 7.636 -8.748 13.979 1.00 36.63 H new ATOM 0 HB2 ALA B 20 7.807 -8.741 12.404 1.00 36.63 H new ATOM 0 HB3 ALA B 20 7.105 -9.968 13.119 1.00 36.63 H new ATOM 1103 N SER B 21 10.020 -10.279 15.603 1.00 36.45 N ATOM 1104 CA SER B 21 10.304 -10.995 16.854 1.00 36.18 C ATOM 1105 C SER B 21 9.035 -11.468 17.580 1.00 35.71 C ATOM 1106 O SER B 21 8.822 -12.671 17.741 1.00 35.73 O ATOM 1107 CB SER B 21 11.193 -10.147 17.779 1.00 36.30 C ATOM 1108 OG SER B 21 11.576 -10.871 18.943 1.00 36.56 O ATOM 0 H SER B 21 10.408 -9.514 15.542 1.00 36.45 H new ATOM 0 HA SER B 21 10.789 -11.799 16.609 1.00 36.18 H new ATOM 0 HB2 SER B 21 11.986 -9.864 17.297 1.00 36.30 H new ATOM 0 HB3 SER B 21 10.717 -9.343 18.039 1.00 36.30 H new ATOM 0 HG SER B 21 12.061 -10.386 19.428 1.00 36.56 H new ATOM 1109 N SER B 22 8.196 -10.519 17.992 1.00 35.10 N ATOM 1110 CA SER B 22 6.959 -10.819 18.710 1.00 34.43 C ATOM 1111 C SER B 22 5.800 -9.928 18.246 1.00 33.80 C ATOM 1112 O SER B 22 5.916 -9.217 17.246 1.00 33.38 O ATOM 1113 CB SER B 22 7.178 -10.683 20.225 1.00 34.69 C ATOM 1114 OG SER B 22 7.826 -9.460 20.545 1.00 35.23 O ATOM 0 H SER B 22 8.329 -9.679 17.862 1.00 35.10 H new ATOM 0 HA SER B 22 6.714 -11.736 18.509 1.00 34.43 H new ATOM 0 HB2 SER B 22 6.324 -10.728 20.683 1.00 34.69 H new ATOM 0 HB3 SER B 22 7.711 -11.427 20.545 1.00 34.69 H new ATOM 0 HG SER B 22 7.933 -9.409 21.377 1.00 35.23 H new ATOM 1115 N SER B 23 4.681 -9.977 18.973 1.00 33.01 N ATOM 1116 CA SER B 23 3.544 -9.092 18.697 1.00 32.37 C ATOM 1117 C SER B 23 3.821 -7.647 19.147 1.00 31.67 C ATOM 1118 O SER B 23 2.932 -6.689 18.734 1.00 32.04 O ATOM 1119 CB SER B 23 2.266 -9.619 19.360 1.00 32.26 C ATOM 1120 OG SER B 23 2.407 -9.659 20.771 1.00 32.42 O ATOM 0 H SER B 23 4.560 -10.516 19.632 1.00 33.01 H new ATOM 0 HA SER B 23 3.416 -9.084 17.736 1.00 32.37 H new ATOM 0 HB2 SER B 23 1.516 -9.052 19.122 1.00 32.26 H new ATOM 0 HB3 SER B 23 2.067 -10.508 19.026 1.00 32.26 H new ATOM 0 HG SER B 23 1.698 -9.948 21.116 1.00 32.42 H new ATOM 1121 N ASN B 24 5.042 -7.484 19.757 1.00 30.67 N ATOM 1122 CA ASN B 24 5.522 -6.185 20.219 1.00 29.86 C ATOM 1123 C ASN B 24 6.592 -5.586 19.302 1.00 28.87 C ATOM 1124 O ASN B 24 7.167 -4.534 19.604 1.00 28.72 O ATOM 1125 CB ASN B 24 6.082 -6.328 21.639 1.00 30.27 C ATOM 1126 CG ASN B 24 6.035 -5.032 22.415 1.00 31.23 C ATOM 1127 OD1 ASN B 24 7.029 -4.309 22.498 1.00 32.02 O ATOM 1128 ND2 ASN B 24 4.871 -4.723 22.982 1.00 32.05 N ATOM 0 H ASN B 24 5.590 -8.131 19.901 1.00 30.67 H new ATOM 0 HA ASN B 24 4.766 -5.577 20.208 1.00 29.86 H new ATOM 0 HB2 ASN B 24 5.577 -7.005 22.116 1.00 30.27 H new ATOM 0 HB3 ASN B 24 6.999 -6.640 21.591 1.00 30.27 H new ATOM 0 HD21 ASN B 24 4.791 -3.992 23.429 1.00 32.05 H new ATOM 0 HD22 ASN B 24 4.199 -5.254 22.902 1.00 32.05 H new ATOM 1129 N TYR B 25 6.854 -6.252 18.179 1.00 27.72 N ATOM 1130 CA TYR B 25 7.920 -5.839 17.265 1.00 26.59 C ATOM 1131 C TYR B 25 7.793 -4.373 16.837 1.00 26.01 C ATOM 1132 O TYR B 25 8.752 -3.603 16.932 1.00 26.04 O ATOM 1133 CB TYR B 25 7.969 -6.764 16.042 1.00 26.49 C ATOM 1134 CG TYR B 25 8.936 -6.319 14.959 1.00 25.98 C ATOM 1135 CD1 TYR B 25 10.252 -6.798 14.922 1.00 25.84 C ATOM 1136 CD2 TYR B 25 8.532 -5.434 13.961 1.00 26.25 C ATOM 1137 CE1 TYR B 25 11.137 -6.392 13.922 1.00 25.19 C ATOM 1138 CE2 TYR B 25 9.411 -5.023 12.962 1.00 24.73 C ATOM 1139 CZ TYR B 25 10.705 -5.501 12.950 1.00 25.08 C ATOM 1140 OH TYR B 25 11.563 -5.088 11.957 1.00 24.73 O ATOM 0 H TYR B 25 6.423 -6.952 17.926 1.00 27.72 H new ATOM 0 HA TYR B 25 8.756 -5.916 17.750 1.00 26.59 H new ATOM 0 HB2 TYR B 25 8.215 -7.656 16.334 1.00 26.49 H new ATOM 0 HB3 TYR B 25 7.079 -6.826 15.661 1.00 26.49 H new ATOM 0 HD1 TYR B 25 10.540 -7.396 15.574 1.00 25.84 H new ATOM 0 HD2 TYR B 25 7.660 -5.112 13.962 1.00 26.25 H new ATOM 0 HE1 TYR B 25 12.009 -6.716 13.907 1.00 25.19 H new ATOM 0 HE2 TYR B 25 9.127 -4.429 12.306 1.00 24.73 H new ATOM 0 HH TYR B 25 12.341 -5.024 12.267 1.00 24.73 H new ATOM 1141 N CYS B 26 6.604 -3.998 16.372 1.00 25.45 N ATOM 1142 CA CYS B 26 6.353 -2.644 15.871 1.00 24.49 C ATOM 1143 C CYS B 26 6.463 -1.562 16.935 1.00 24.39 C ATOM 1144 O CYS B 26 7.019 -0.509 16.674 1.00 24.03 O ATOM 1145 CB CYS B 26 5.006 -2.579 15.155 1.00 23.90 C ATOM 1146 SG CYS B 26 5.021 -3.466 13.574 1.00 23.49 S ATOM 0 H CYS B 26 5.920 -4.518 16.337 1.00 25.45 H new ATOM 0 HA CYS B 26 7.062 -2.455 15.236 1.00 24.49 H new ATOM 0 HB2 CYS B 26 4.320 -2.955 15.728 1.00 23.90 H new ATOM 0 HB3 CYS B 26 4.769 -1.651 15.000 1.00 23.90 H new ATOM 1147 N ASN B 27 5.959 -1.829 18.142 1.00 24.32 N ATOM 1148 CA ASN B 27 6.095 -0.875 19.242 1.00 24.43 C ATOM 1149 C ASN B 27 7.553 -0.487 19.492 1.00 24.74 C ATOM 1150 O ASN B 27 7.871 0.700 19.596 1.00 25.18 O ATOM 1151 CB ASN B 27 5.442 -1.409 20.524 1.00 24.17 C ATOM 1152 CG ASN B 27 3.925 -1.482 20.427 1.00 24.22 C ATOM 1153 OD1 ASN B 27 3.306 -0.818 19.595 1.00 23.58 O ATOM 1154 ND2 ASN B 27 3.317 -2.285 21.293 1.00 22.86 N ATOM 0 H ASN B 27 5.538 -2.552 18.342 1.00 24.32 H new ATOM 0 HA ASN B 27 5.626 -0.069 18.976 1.00 24.43 H new ATOM 0 HB2 ASN B 27 5.792 -2.293 20.717 1.00 24.17 H new ATOM 0 HB3 ASN B 27 5.687 -0.838 21.269 1.00 24.17 H new ATOM 0 HD21 ASN B 27 2.460 -2.355 21.286 1.00 22.86 H new ATOM 0 HD22 ASN B 27 3.780 -2.735 21.861 1.00 22.86 H new ATOM 1155 N GLN B 28 8.434 -1.488 19.557 1.00 25.03 N ATOM 1156 CA GLN B 28 9.857 -1.259 19.824 1.00 25.71 C ATOM 1157 C GLN B 28 10.591 -0.680 18.616 1.00 25.73 C ATOM 1158 O GLN B 28 11.425 0.218 18.766 1.00 25.50 O ATOM 1159 CB GLN B 28 10.544 -2.550 20.282 1.00 25.86 C ATOM 1160 CG GLN B 28 9.938 -3.149 21.547 1.00 26.83 C ATOM 1161 CD GLN B 28 10.430 -4.560 21.843 1.00 26.89 C ATOM 1162 OE1 GLN B 28 10.810 -5.296 20.801 1.00 29.57 O flip ATOM 1163 NE2 GLN B 28 10.460 -4.979 22.994 1.00 29.61 N flip ATOM 0 H GLN B 28 8.225 -2.315 19.448 1.00 25.03 H new ATOM 0 HA GLN B 28 9.901 -0.603 20.537 1.00 25.71 H new ATOM 0 HB2 GLN B 28 10.495 -3.204 19.568 1.00 25.86 H new ATOM 0 HB3 GLN B 28 11.484 -2.369 20.437 1.00 25.86 H new ATOM 0 HG2 GLN B 28 10.147 -2.576 22.301 1.00 26.83 H new ATOM 0 HG3 GLN B 28 8.972 -3.162 21.460 1.00 26.83 H new ATOM 0 HE21 GLN B 28 10.206 -4.474 23.642 1.00 29.61 H new ATOM 0 HE22 GLN B 28 10.735 -5.778 23.154 1.00 29.61 H new ATOM 1164 N MET B 29 10.272 -1.200 17.433 1.00 25.62 N ATOM 1165 CA MET B 29 10.929 -0.777 16.185 1.00 26.24 C ATOM 1166 C MET B 29 10.554 0.632 15.743 1.00 25.66 C ATOM 1167 O MET B 29 11.423 1.396 15.307 1.00 25.69 O ATOM 1168 CB MET B 29 10.670 -1.775 15.060 1.00 26.35 C ATOM 1169 CG MET B 29 11.535 -3.026 15.147 1.00 28.87 C ATOM 1170 SD MET B 29 13.281 -2.769 14.773 1.00 33.15 S ATOM 1171 CE MET B 29 13.896 -2.176 16.346 1.00 31.67 C ATOM 0 H MET B 29 9.671 -1.806 17.326 1.00 25.62 H new ATOM 0 HA MET B 29 11.878 -0.759 16.383 1.00 26.24 H new ATOM 0 HB2 MET B 29 9.736 -2.035 15.076 1.00 26.35 H new ATOM 0 HB3 MET B 29 10.828 -1.339 14.208 1.00 26.35 H new ATOM 0 HG2 MET B 29 11.460 -3.394 16.041 1.00 28.87 H new ATOM 0 HG3 MET B 29 11.181 -3.691 14.536 1.00 28.87 H new ATOM 0 HE1 MET B 29 14.050 -1.220 16.294 1.00 31.67 H new ATOM 0 HE2 MET B 29 13.243 -2.361 17.039 1.00 31.67 H new ATOM 0 HE3 MET B 29 14.729 -2.626 16.558 1.00 31.67 H new ATOM 1172 N MET B 30 9.271 0.972 15.848 1.00 25.42 N ATOM 1173 CA MET B 30 8.820 2.328 15.513 1.00 25.15 C ATOM 1174 C MET B 30 9.470 3.336 16.451 1.00 25.04 C ATOM 1175 O MET B 30 9.811 4.443 16.038 1.00 26.20 O ATOM 1176 CB MET B 30 7.290 2.452 15.551 1.00 24.68 C ATOM 1177 CG MET B 30 6.559 1.596 14.527 1.00 24.11 C ATOM 1178 SD MET B 30 6.907 2.008 12.803 1.00 22.84 S ATOM 1179 CE MET B 30 5.950 3.512 12.627 1.00 21.62 C ATOM 0 H MET B 30 8.648 0.440 16.109 1.00 25.42 H new ATOM 0 HA MET B 30 9.095 2.518 14.602 1.00 25.15 H new ATOM 0 HB2 MET B 30 6.980 2.210 16.438 1.00 24.68 H new ATOM 0 HB3 MET B 30 7.049 3.381 15.410 1.00 24.68 H new ATOM 0 HG2 MET B 30 6.792 0.666 14.677 1.00 24.11 H new ATOM 0 HG3 MET B 30 5.604 1.678 14.679 1.00 24.11 H new ATOM 0 HE1 MET B 30 6.474 4.176 12.152 1.00 21.62 H new ATOM 0 HE2 MET B 30 5.139 3.324 12.129 1.00 21.62 H new ATOM 0 HE3 MET B 30 5.717 3.852 13.505 1.00 21.62 H new ATOM 1180 N LYS B 31 9.653 2.941 17.711 1.00 24.65 N ATOM 1181 CA LYS B 31 10.363 3.762 18.686 1.00 24.33 C ATOM 1182 C LYS B 31 11.852 3.913 18.340 1.00 23.86 C ATOM 1183 O LYS B 31 12.361 5.036 18.247 1.00 23.30 O ATOM 1184 CB LYS B 31 10.203 3.176 20.089 1.00 24.30 C ATOM 1185 CG LYS B 31 10.900 3.975 21.173 1.00 26.14 C ATOM 1186 CD LYS B 31 10.607 3.411 22.550 1.00 27.88 C ATOM 1187 CE LYS B 31 11.461 4.085 23.619 1.00 30.19 C ATOM 1188 NZ LYS B 31 11.562 5.561 23.406 1.00 31.66 N ATOM 0 H LYS B 31 9.369 2.191 18.022 1.00 24.65 H new ATOM 0 HA LYS B 31 9.968 4.648 18.661 1.00 24.33 H new ATOM 0 HB2 LYS B 31 9.258 3.118 20.300 1.00 24.30 H new ATOM 0 HB3 LYS B 31 10.551 2.270 20.093 1.00 24.30 H new ATOM 0 HG2 LYS B 31 11.857 3.970 21.016 1.00 26.14 H new ATOM 0 HG3 LYS B 31 10.611 4.900 21.132 1.00 26.14 H new ATOM 0 HD2 LYS B 31 9.668 3.534 22.759 1.00 27.88 H new ATOM 0 HD3 LYS B 31 10.776 2.456 22.553 1.00 27.88 H new ATOM 0 HE2 LYS B 31 11.080 3.911 24.494 1.00 30.19 H new ATOM 0 HE3 LYS B 31 12.350 3.697 23.614 1.00 30.19 H new ATOM 0 HZ1 LYS B 31 11.789 5.957 24.170 1.00 31.66 H new ATOM 0 HZ2 LYS B 31 12.181 5.731 22.789 1.00 31.66 H new ATOM 0 HZ3 LYS B 31 10.776 5.876 23.131 1.00 31.66 H new ATOM 1189 N SER B 32 12.529 2.782 18.133 1.00 23.99 N ATOM 1190 CA SER B 32 13.981 2.759 17.901 1.00 24.69 C ATOM 1191 C SER B 32 14.403 3.516 16.645 1.00 24.09 C ATOM 1192 O SER B 32 15.519 4.054 16.592 1.00 24.73 O ATOM 1193 CB SER B 32 14.513 1.317 17.849 1.00 24.50 C ATOM 1194 OG SER B 32 14.356 0.681 19.102 1.00 27.84 O ATOM 0 H SER B 32 12.161 2.005 18.123 1.00 23.99 H new ATOM 0 HA SER B 32 14.376 3.220 18.658 1.00 24.69 H new ATOM 0 HB2 SER B 32 14.040 0.817 17.166 1.00 24.50 H new ATOM 0 HB3 SER B 32 15.450 1.322 17.599 1.00 24.50 H new ATOM 0 HG SER B 32 13.550 0.474 19.212 1.00 27.84 H new ATOM 1195 N ARG B 33 13.509 3.559 15.652 1.00 23.87 N ATOM 1196 CA ARG B 33 13.794 4.200 14.366 1.00 22.90 C ATOM 1197 C ARG B 33 13.333 5.668 14.318 1.00 22.58 C ATOM 1198 O ARG B 33 13.341 6.299 13.260 1.00 22.07 O ATOM 1199 CB ARG B 33 13.242 3.362 13.200 1.00 23.65 C ATOM 1200 CG ARG B 33 13.764 1.903 13.177 1.00 22.52 C ATOM 1201 CD ARG B 33 15.317 1.867 13.143 1.00 22.33 C ATOM 1202 NE ARG B 33 15.868 0.514 12.987 1.00 21.04 N ATOM 1203 CZ ARG B 33 16.003 -0.102 11.815 1.00 20.66 C ATOM 1204 NH1 ARG B 33 15.613 0.506 10.704 1.00 20.62 N ATOM 1205 NH2 ARG B 33 16.514 -1.330 11.747 1.00 19.66 N ATOM 0 H ARG B 33 12.722 3.217 15.706 1.00 23.87 H new ATOM 0 HA ARG B 33 14.758 4.232 14.266 1.00 22.90 H new ATOM 0 HB2 ARG B 33 12.273 3.349 13.252 1.00 23.65 H new ATOM 0 HB3 ARG B 33 13.476 3.794 12.363 1.00 23.65 H new ATOM 0 HG2 ARG B 33 13.443 1.429 13.960 1.00 22.52 H new ATOM 0 HG3 ARG B 33 13.409 1.441 12.401 1.00 22.52 H new ATOM 0 HD2 ARG B 33 15.630 2.422 12.412 1.00 22.33 H new ATOM 0 HD3 ARG B 33 15.661 2.256 13.962 1.00 22.33 H new ATOM 0 HE ARG B 33 16.118 0.095 13.695 1.00 21.04 H new ATOM 0 HH11 ARG B 33 15.274 1.296 10.742 1.00 20.62 H new ATOM 0 HH12 ARG B 33 15.699 0.111 9.945 1.00 20.62 H new ATOM 0 HH21 ARG B 33 16.761 -1.733 12.465 1.00 19.66 H new ATOM 0 HH22 ARG B 33 16.597 -1.720 10.985 1.00 19.66 H new ATOM 1206 N ASN B 34 12.974 6.203 15.490 1.00 21.89 N ATOM 1207 CA ASN B 34 12.565 7.605 15.645 1.00 22.17 C ATOM 1208 C ASN B 34 11.273 7.925 14.889 1.00 22.09 C ATOM 1209 O ASN B 34 11.070 9.054 14.432 1.00 22.72 O ATOM 1210 CB ASN B 34 13.705 8.567 15.253 1.00 21.96 C ATOM 1211 CG ASN B 34 14.883 8.523 16.234 1.00 23.23 C ATOM 1212 OD1 ASN B 34 14.715 8.190 17.410 1.00 25.11 O ATOM 1213 ND2 ASN B 34 16.073 8.883 15.754 1.00 23.00 N ATOM 0 H ASN B 34 12.961 5.757 16.225 1.00 21.89 H new ATOM 0 HA ASN B 34 12.374 7.739 16.586 1.00 22.17 H new ATOM 0 HB2 ASN B 34 14.021 8.342 14.364 1.00 21.96 H new ATOM 0 HB3 ASN B 34 13.359 9.472 15.210 1.00 21.96 H new ATOM 0 HD21 ASN B 34 16.761 8.889 16.270 1.00 23.00 H new ATOM 0 HD22 ASN B 34 16.153 9.109 14.928 1.00 23.00 H new ATOM 1214 N LEU B 35 10.404 6.924 14.767 1.00 22.50 N ATOM 1215 CA LEU B 35 9.122 7.093 14.064 1.00 23.06 C ATOM 1216 C LEU B 35 7.949 7.355 15.003 1.00 23.82 C ATOM 1217 O LEU B 35 6.794 7.387 14.565 1.00 23.85 O ATOM 1218 CB LEU B 35 8.829 5.892 13.142 1.00 23.10 C ATOM 1219 CG LEU B 35 9.938 5.485 12.166 1.00 22.75 C ATOM 1220 CD1 LEU B 35 9.445 4.333 11.309 1.00 23.93 C ATOM 1221 CD2 LEU B 35 10.363 6.671 11.281 1.00 24.87 C ATOM 0 H LEU B 35 10.534 6.135 15.083 1.00 22.50 H new ATOM 0 HA LEU B 35 9.219 7.889 13.518 1.00 23.06 H new ATOM 0 HB2 LEU B 35 8.621 5.126 13.700 1.00 23.10 H new ATOM 0 HB3 LEU B 35 8.032 6.093 12.627 1.00 23.10 H new ATOM 0 HG LEU B 35 10.717 5.206 12.672 1.00 22.75 H new ATOM 0 HD11 LEU B 35 10.142 4.070 10.688 1.00 23.93 H new ATOM 0 HD12 LEU B 35 9.218 3.581 11.878 1.00 23.93 H new ATOM 0 HD13 LEU B 35 8.659 4.612 10.813 1.00 23.93 H new ATOM 0 HD21 LEU B 35 11.064 6.387 10.674 1.00 24.87 H new ATOM 0 HD22 LEU B 35 9.600 6.983 10.770 1.00 24.87 H new ATOM 0 HD23 LEU B 35 10.693 7.391 11.841 1.00 24.87 H new ATOM 1222 N THR B 36 8.245 7.542 16.291 1.00 24.80 N ATOM 1223 CA THR B 36 7.219 7.908 17.276 1.00 25.53 C ATOM 1224 C THR B 36 7.630 9.146 18.076 1.00 25.82 C ATOM 1225 O THR B 36 6.994 9.497 19.079 1.00 25.60 O ATOM 1226 CB THR B 36 6.871 6.734 18.234 1.00 25.71 C ATOM 1227 OG1 THR B 36 7.974 6.469 19.112 1.00 25.96 O ATOM 1228 CG2 THR B 36 6.528 5.479 17.455 1.00 26.14 C ATOM 0 H THR B 36 9.037 7.462 16.617 1.00 24.80 H new ATOM 0 HA THR B 36 6.418 8.118 16.771 1.00 25.53 H new ATOM 0 HB THR B 36 6.097 6.994 18.757 1.00 25.71 H new ATOM 0 HG1 THR B 36 8.115 7.141 19.596 1.00 25.96 H new ATOM 0 HG21 THR B 36 6.315 4.762 18.073 1.00 26.14 H new ATOM 0 HG22 THR B 36 5.763 5.651 16.884 1.00 26.14 H new ATOM 0 HG23 THR B 36 7.286 5.220 16.909 1.00 26.14 H new ATOM 1229 N LYS B 37 8.678 9.818 17.604 1.00 26.08 N ATOM 1230 CA LYS B 37 9.280 10.938 18.338 1.00 26.71 C ATOM 1231 C LYS B 37 8.331 12.119 18.587 1.00 26.44 C ATOM 1232 O LYS B 37 8.073 12.471 19.739 1.00 26.65 O ATOM 1233 CB LYS B 37 10.576 11.402 17.661 1.00 27.03 C ATOM 1234 CG LYS B 37 11.226 12.590 18.350 1.00 28.17 C ATOM 1235 CD LYS B 37 12.679 12.757 17.956 1.00 30.50 C ATOM 1236 CE LYS B 37 13.274 13.980 18.643 1.00 30.97 C ATOM 1237 NZ LYS B 37 14.748 14.087 18.452 1.00 32.09 N ATOM 0 H LYS B 37 9.060 9.641 16.854 1.00 26.08 H new ATOM 0 HA LYS B 37 9.487 10.589 19.219 1.00 26.71 H new ATOM 0 HB2 LYS B 37 11.205 10.664 17.642 1.00 27.03 H new ATOM 0 HB3 LYS B 37 10.385 11.636 16.739 1.00 27.03 H new ATOM 0 HG2 LYS B 37 10.737 13.398 18.127 1.00 28.17 H new ATOM 0 HG3 LYS B 37 11.164 12.477 19.311 1.00 28.17 H new ATOM 0 HD2 LYS B 37 13.181 11.964 18.201 1.00 30.50 H new ATOM 0 HD3 LYS B 37 12.751 12.852 16.993 1.00 30.50 H new ATOM 0 HE2 LYS B 37 12.848 14.780 18.297 1.00 30.97 H new ATOM 0 HE3 LYS B 37 13.077 13.941 19.592 1.00 30.97 H new ATOM 0 HZ1 LYS B 37 15.050 14.813 18.869 1.00 32.09 H new ATOM 0 HZ2 LYS B 37 15.144 13.365 18.790 1.00 32.09 H new ATOM 0 HZ3 LYS B 37 14.931 14.147 17.583 1.00 32.09 H new ATOM 1238 N ASP B 38 7.810 12.720 17.519 1.00 26.28 N ATOM 1239 CA ASP B 38 6.960 13.910 17.642 1.00 25.93 C ATOM 1240 C ASP B 38 5.483 13.603 17.429 1.00 25.45 C ATOM 1241 O ASP B 38 4.603 14.318 17.921 1.00 25.64 O ATOM 1242 CB ASP B 38 7.426 14.994 16.668 1.00 26.39 C ATOM 1243 CG ASP B 38 8.845 15.454 16.950 1.00 27.03 C ATOM 1244 OD1 ASP B 38 9.104 15.932 18.074 1.00 28.40 O ATOM 1245 OD2 ASP B 38 9.703 15.330 16.049 1.00 29.14 O ATOM 0 H ASP B 38 7.936 12.455 16.710 1.00 26.28 H new ATOM 0 HA ASP B 38 7.051 14.232 18.553 1.00 25.93 H new ATOM 0 HB2 ASP B 38 7.373 14.655 15.761 1.00 26.39 H new ATOM 0 HB3 ASP B 38 6.826 15.754 16.722 1.00 26.39 H new ATOM 1246 N ARG B 39 5.232 12.530 16.689 1.00 24.58 N ATOM 1247 CA ARG B 39 3.890 12.013 16.428 1.00 23.86 C ATOM 1248 C ARG B 39 4.057 10.511 16.230 1.00 22.11 C ATOM 1249 O ARG B 39 5.176 10.038 16.068 1.00 22.18 O ATOM 1250 CB ARG B 39 3.301 12.657 15.166 1.00 23.86 C ATOM 1251 CG ARG B 39 4.102 12.354 13.906 1.00 25.05 C ATOM 1252 CD ARG B 39 3.473 12.884 12.634 1.00 25.81 C ATOM 1253 NE ARG B 39 4.098 12.233 11.480 1.00 30.66 N ATOM 1254 CZ ARG B 39 3.468 11.435 10.617 1.00 31.29 C ATOM 1255 NH1 ARG B 39 2.167 11.199 10.738 1.00 32.09 N ATOM 1256 NH2 ARG B 39 4.146 10.889 9.611 1.00 32.31 N ATOM 0 H ARG B 39 5.853 12.068 16.314 1.00 24.58 H new ATOM 0 HA ARG B 39 3.283 12.213 17.158 1.00 23.86 H new ATOM 0 HB2 ARG B 39 2.390 12.345 15.046 1.00 23.86 H new ATOM 0 HB3 ARG B 39 3.257 13.618 15.291 1.00 23.86 H new ATOM 0 HG2 ARG B 39 4.990 12.733 13.999 1.00 25.05 H new ATOM 0 HG3 ARG B 39 4.211 11.393 13.826 1.00 25.05 H new ATOM 0 HD2 ARG B 39 2.518 12.714 12.637 1.00 25.81 H new ATOM 0 HD3 ARG B 39 3.589 13.845 12.579 1.00 25.81 H new ATOM 0 HE ARG B 39 4.936 12.377 11.349 1.00 30.66 H new ATOM 0 HH11 ARG B 39 1.722 11.562 11.378 1.00 32.09 H new ATOM 0 HH12 ARG B 39 1.770 10.683 10.176 1.00 32.09 H new ATOM 0 HH21 ARG B 39 4.986 11.051 9.520 1.00 32.31 H new ATOM 0 HH22 ARG B 39 3.745 10.374 9.052 1.00 32.31 H new ATOM 1257 N CYS B 40 2.957 9.767 16.258 1.00 20.50 N ATOM 1258 CA CYS B 40 2.992 8.356 15.916 1.00 18.89 C ATOM 1259 C CYS B 40 2.873 8.271 14.401 1.00 17.81 C ATOM 1260 O CYS B 40 1.827 8.627 13.858 1.00 18.28 O ATOM 1261 CB CYS B 40 1.818 7.598 16.551 1.00 18.79 C ATOM 1262 SG CYS B 40 1.561 7.782 18.344 1.00 18.86 S ATOM 0 H CYS B 40 2.179 10.064 16.473 1.00 20.50 H new ATOM 0 HA CYS B 40 3.813 7.957 16.244 1.00 18.89 H new ATOM 0 HB2 CYS B 40 1.005 7.878 16.103 1.00 18.79 H new ATOM 0 HB3 CYS B 40 1.935 6.654 16.362 1.00 18.79 H new ATOM 1263 N LYS B 41 3.926 7.817 13.719 1.00 16.50 N ATOM 1264 CA LYS B 41 3.817 7.553 12.273 1.00 15.31 C ATOM 1265 C LYS B 41 2.802 6.423 12.119 1.00 14.38 C ATOM 1266 O LYS B 41 3.008 5.334 12.636 1.00 14.53 O ATOM 1267 CB LYS B 41 5.157 7.165 11.641 1.00 15.38 C ATOM 1268 CG LYS B 41 5.046 6.882 10.143 1.00 15.39 C ATOM 1269 CD LYS B 41 6.384 6.523 9.510 1.00 16.95 C ATOM 1270 CE LYS B 41 6.255 6.460 7.986 1.00 20.38 C ATOM 1271 NZ LYS B 41 7.520 6.033 7.335 1.00 21.71 N ATOM 0 H LYS B 41 4.698 7.657 14.061 1.00 16.50 H new ATOM 0 HA LYS B 41 3.536 8.358 11.811 1.00 15.31 H new ATOM 0 HB2 LYS B 41 5.796 7.880 11.784 1.00 15.38 H new ATOM 0 HB3 LYS B 41 5.506 6.379 12.089 1.00 15.38 H new ATOM 0 HG2 LYS B 41 4.420 6.155 10.001 1.00 15.39 H new ATOM 0 HG3 LYS B 41 4.681 7.662 9.697 1.00 15.39 H new ATOM 0 HD2 LYS B 41 7.052 7.182 9.757 1.00 16.95 H new ATOM 0 HD3 LYS B 41 6.690 5.668 9.850 1.00 16.95 H new ATOM 0 HE2 LYS B 41 5.546 5.843 7.748 1.00 20.38 H new ATOM 0 HE3 LYS B 41 5.997 7.332 7.648 1.00 20.38 H new ATOM 0 HZ1 LYS B 41 7.518 6.291 6.483 1.00 21.71 H new ATOM 0 HZ2 LYS B 41 8.211 6.405 7.756 1.00 21.71 H new ATOM 0 HZ3 LYS B 41 7.590 5.147 7.375 1.00 21.71 H new ATOM 1272 N PRO B 42 1.673 6.698 11.447 1.00 13.90 N ATOM 1273 CA PRO B 42 0.581 5.707 11.490 1.00 13.29 C ATOM 1274 C PRO B 42 0.871 4.358 10.816 1.00 13.11 C ATOM 1275 O PRO B 42 0.428 3.328 11.328 1.00 13.46 O ATOM 1276 CB PRO B 42 -0.577 6.441 10.794 1.00 12.98 C ATOM 1277 CG PRO B 42 -0.207 7.935 10.947 1.00 13.52 C ATOM 1278 CD PRO B 42 1.274 7.910 10.711 1.00 13.65 C ATOM 0 HA PRO B 42 0.406 5.438 12.405 1.00 13.29 H new ATOM 0 HB2 PRO B 42 -0.651 6.186 9.861 1.00 12.98 H new ATOM 0 HB3 PRO B 42 -1.429 6.240 11.212 1.00 12.98 H new ATOM 0 HG2 PRO B 42 -0.669 8.492 10.301 1.00 13.52 H new ATOM 0 HG3 PRO B 42 -0.429 8.277 11.827 1.00 13.52 H new ATOM 0 HD2 PRO B 42 1.492 7.851 9.768 1.00 13.65 H new ATOM 0 HD3 PRO B 42 1.711 8.705 11.054 1.00 13.65 H new ATOM 1279 N VAL B 43 1.558 4.358 9.677 1.00 13.10 N ATOM 1280 CA VAL B 43 1.811 3.125 8.899 1.00 12.97 C ATOM 1281 C VAL B 43 3.248 3.095 8.402 1.00 13.23 C ATOM 1282 O VAL B 43 3.758 4.101 7.891 1.00 13.79 O ATOM 1283 CB VAL B 43 0.856 2.997 7.673 1.00 13.51 C ATOM 1284 CG1 VAL B 43 1.078 1.663 6.953 1.00 14.04 C ATOM 1285 CG2 VAL B 43 -0.585 3.117 8.109 1.00 12.79 C ATOM 0 H VAL B 43 1.894 5.068 9.326 1.00 13.10 H new ATOM 0 HA VAL B 43 1.646 2.380 9.497 1.00 12.97 H new ATOM 0 HB VAL B 43 1.056 3.719 7.057 1.00 13.51 H new ATOM 0 HG11 VAL B 43 0.477 1.600 6.194 1.00 14.04 H new ATOM 0 HG12 VAL B 43 1.996 1.611 6.643 1.00 14.04 H new ATOM 0 HG13 VAL B 43 0.902 0.931 7.565 1.00 14.04 H new ATOM 0 HG21 VAL B 43 -1.165 3.035 7.336 1.00 12.79 H new ATOM 0 HG22 VAL B 43 -0.791 2.413 8.743 1.00 12.79 H new ATOM 0 HG23 VAL B 43 -0.726 3.980 8.528 1.00 12.79 H new ATOM 1286 N ASN B 44 3.910 1.954 8.562 1.00 13.20 N ATOM 1287 CA ASN B 44 5.307 1.821 8.162 1.00 13.23 C ATOM 1288 C ASN B 44 5.658 0.375 7.918 1.00 13.57 C ATOM 1289 O ASN B 44 5.290 -0.490 8.711 1.00 14.01 O ATOM 1290 CB ASN B 44 6.245 2.375 9.229 1.00 13.76 C ATOM 1291 CG ASN B 44 7.680 2.533 8.725 1.00 14.76 C ATOM 1292 OD1 ASN B 44 7.978 3.422 7.921 1.00 16.87 O ATOM 1293 ND2 ASN B 44 8.566 1.675 9.199 1.00 13.84 N ATOM 0 H ASN B 44 3.567 1.242 8.902 1.00 13.20 H new ATOM 0 HA ASN B 44 5.417 2.330 7.343 1.00 13.23 H new ATOM 0 HB2 ASN B 44 5.915 3.236 9.530 1.00 13.76 H new ATOM 0 HB3 ASN B 44 6.239 1.784 9.998 1.00 13.76 H new ATOM 0 HD21 ASN B 44 9.387 1.723 8.949 1.00 13.84 H new ATOM 0 HD22 ASN B 44 8.321 1.069 9.758 1.00 13.84 H new ATOM 1294 N THR B 45 6.375 0.129 6.828 1.00 12.96 N ATOM 1295 CA THR B 45 6.838 -1.218 6.499 1.00 13.38 C ATOM 1296 C THR B 45 8.339 -1.378 6.733 1.00 13.49 C ATOM 1297 O THR B 45 9.135 -0.536 6.291 1.00 13.24 O ATOM 1298 CB THR B 45 6.517 -1.570 5.040 1.00 13.57 C ATOM 1299 OG1 THR B 45 5.112 -1.407 4.817 1.00 14.20 O ATOM 1300 CG2 THR B 45 6.921 -3.007 4.715 1.00 13.68 C ATOM 0 H THR B 45 6.607 0.732 6.260 1.00 12.96 H new ATOM 0 HA THR B 45 6.366 -1.825 7.090 1.00 13.38 H new ATOM 0 HB THR B 45 7.021 -0.977 4.462 1.00 13.57 H new ATOM 0 HG1 THR B 45 4.839 -2.009 4.299 1.00 14.20 H new ATOM 0 HG21 THR B 45 6.707 -3.202 3.789 1.00 13.68 H new ATOM 0 HG22 THR B 45 7.875 -3.115 4.856 1.00 13.68 H new ATOM 0 HG23 THR B 45 6.438 -3.618 5.293 1.00 13.68 H new ATOM 1301 N PHE B 46 8.708 -2.467 7.411 1.00 13.47 N ATOM 1302 CA PHE B 46 10.110 -2.873 7.549 1.00 14.50 C ATOM 1303 C PHE B 46 10.396 -4.095 6.686 1.00 14.73 C ATOM 1304 O PHE B 46 9.581 -5.014 6.613 1.00 14.40 O ATOM 1305 CB PHE B 46 10.444 -3.191 9.005 1.00 14.61 C ATOM 1306 CG PHE B 46 10.434 -1.984 9.901 1.00 15.64 C ATOM 1307 CD1 PHE B 46 11.474 -1.062 9.856 1.00 16.84 C ATOM 1308 CD2 PHE B 46 9.375 -1.759 10.770 1.00 15.88 C ATOM 1309 CE1 PHE B 46 11.464 0.061 10.667 1.00 15.71 C ATOM 1310 CE2 PHE B 46 9.366 -0.637 11.595 1.00 15.13 C ATOM 1311 CZ PHE B 46 10.403 0.271 11.538 1.00 15.51 C ATOM 0 H PHE B 46 8.152 -2.992 7.804 1.00 13.47 H new ATOM 0 HA PHE B 46 10.664 -2.134 7.254 1.00 14.50 H new ATOM 0 HB2 PHE B 46 9.806 -3.840 9.341 1.00 14.61 H new ATOM 0 HB3 PHE B 46 11.319 -3.607 9.045 1.00 14.61 H new ATOM 0 HD1 PHE B 46 12.186 -1.201 9.274 1.00 16.84 H new ATOM 0 HD2 PHE B 46 8.667 -2.361 10.801 1.00 15.88 H new ATOM 0 HE1 PHE B 46 12.165 0.671 10.628 1.00 15.71 H new ATOM 0 HE2 PHE B 46 8.660 -0.500 12.185 1.00 15.13 H new ATOM 0 HZ PHE B 46 10.392 1.024 12.083 1.00 15.51 H new ATOM 1312 N VAL B 47 11.551 -4.090 6.036 1.00 14.45 N ATOM 1313 CA VAL B 47 11.936 -5.170 5.140 1.00 14.86 C ATOM 1314 C VAL B 47 13.042 -5.983 5.793 1.00 15.56 C ATOM 1315 O VAL B 47 14.079 -5.433 6.180 1.00 15.55 O ATOM 1316 CB VAL B 47 12.434 -4.631 3.778 1.00 15.31 C ATOM 1317 CG1 VAL B 47 12.746 -5.804 2.836 1.00 14.10 C ATOM 1318 CG2 VAL B 47 11.391 -3.670 3.159 1.00 14.64 C ATOM 0 H VAL B 47 12.134 -3.461 6.102 1.00 14.45 H new ATOM 0 HA VAL B 47 11.156 -5.722 4.976 1.00 14.86 H new ATOM 0 HB VAL B 47 13.251 -4.126 3.915 1.00 15.31 H new ATOM 0 HG11 VAL B 47 13.058 -5.461 1.984 1.00 14.10 H new ATOM 0 HG12 VAL B 47 13.434 -6.362 3.231 1.00 14.10 H new ATOM 0 HG13 VAL B 47 11.943 -6.331 2.698 1.00 14.10 H new ATOM 0 HG21 VAL B 47 11.719 -3.342 2.307 1.00 14.64 H new ATOM 0 HG22 VAL B 47 10.555 -4.143 3.023 1.00 14.64 H new ATOM 0 HG23 VAL B 47 11.244 -2.922 3.758 1.00 14.64 H new ATOM 1319 N HIS B 48 12.818 -7.293 5.893 1.00 15.76 N ATOM 1320 CA HIS B 48 13.758 -8.222 6.517 1.00 17.08 C ATOM 1321 C HIS B 48 14.511 -9.029 5.487 1.00 17.43 C ATOM 1322 O HIS B 48 14.357 -10.255 5.393 1.00 18.68 O ATOM 1323 CB HIS B 48 13.031 -9.192 7.446 1.00 17.24 C ATOM 1324 CG HIS B 48 12.109 -8.524 8.402 1.00 18.36 C ATOM 1325 ND1 HIS B 48 12.536 -7.558 9.287 1.00 20.90 N ATOM 1326 CD2 HIS B 48 10.785 -8.683 8.620 1.00 19.06 C ATOM 1327 CE1 HIS B 48 11.506 -7.143 10.003 1.00 22.22 C ATOM 1328 NE2 HIS B 48 10.436 -7.818 9.624 1.00 20.63 N ATOM 0 H HIS B 48 12.105 -7.672 5.596 1.00 15.76 H new ATOM 0 HA HIS B 48 14.385 -7.682 7.023 1.00 17.08 H new ATOM 0 HB2 HIS B 48 12.527 -9.824 6.910 1.00 17.24 H new ATOM 0 HB3 HIS B 48 13.687 -9.703 7.945 1.00 17.24 H new ATOM 0 HD1 HIS B 48 13.343 -7.271 9.361 1.00 20.90 H new ATOM 0 HD2 HIS B 48 10.218 -9.269 8.173 1.00 19.06 H new ATOM 0 HE1 HIS B 48 11.530 -6.487 10.662 1.00 22.22 H new ATOM 0 HE2 HIS B 48 9.647 -7.729 9.954 1.00 20.63 H new ATOM 1329 N GLU B 49 15.297 -8.323 4.694 1.00 16.76 N ATOM 1330 CA GLU B 49 16.230 -8.948 3.783 1.00 16.24 C ATOM 1331 C GLU B 49 17.513 -8.167 3.939 1.00 15.38 C ATOM 1332 O GLU B 49 17.536 -7.137 4.627 1.00 14.53 O ATOM 1333 CB GLU B 49 15.730 -8.861 2.339 1.00 16.63 C ATOM 1334 CG GLU B 49 14.378 -9.515 2.078 1.00 17.41 C ATOM 1335 CD GLU B 49 14.341 -11.028 2.274 1.00 19.46 C ATOM 1336 OE1 GLU B 49 15.403 -11.693 2.348 1.00 20.10 O ATOM 1337 OE2 GLU B 49 13.216 -11.569 2.340 1.00 18.68 O ATOM 0 H GLU B 49 15.303 -7.463 4.670 1.00 16.76 H new ATOM 0 HA GLU B 49 16.345 -9.891 3.980 1.00 16.24 H new ATOM 0 HB2 GLU B 49 15.674 -7.926 2.087 1.00 16.63 H new ATOM 0 HB3 GLU B 49 16.389 -9.272 1.759 1.00 16.63 H new ATOM 0 HG2 GLU B 49 13.720 -9.111 2.665 1.00 17.41 H new ATOM 0 HG3 GLU B 49 14.108 -9.314 1.168 1.00 17.41 H new ATOM 1338 N SER B 50 18.580 -8.660 3.316 1.00 14.38 N ATOM 1339 CA SER B 50 19.857 -7.969 3.351 1.00 14.14 C ATOM 1340 C SER B 50 19.745 -6.627 2.639 1.00 14.24 C ATOM 1341 O SER B 50 18.929 -6.454 1.720 1.00 13.91 O ATOM 1342 CB SER B 50 20.953 -8.831 2.707 1.00 14.01 C ATOM 1343 OG SER B 50 20.745 -8.930 1.303 1.00 14.74 O ATOM 0 H SER B 50 18.582 -9.394 2.868 1.00 14.38 H new ATOM 0 HA SER B 50 20.100 -7.810 4.277 1.00 14.14 H new ATOM 0 HB2 SER B 50 21.824 -8.443 2.884 1.00 14.01 H new ATOM 0 HB3 SER B 50 20.951 -9.716 3.103 1.00 14.01 H new ATOM 0 HG SER B 50 20.204 -9.552 1.143 1.00 14.74 H new ATOM 1344 N LEU B 51 20.548 -5.662 3.071 1.00 14.29 N ATOM 1345 CA LEU B 51 20.605 -4.396 2.356 1.00 14.39 C ATOM 1346 C LEU B 51 20.934 -4.630 0.881 1.00 14.04 C ATOM 1347 O LEU B 51 20.337 -3.999 0.008 1.00 14.23 O ATOM 1348 CB LEU B 51 21.605 -3.431 3.007 1.00 13.96 C ATOM 1349 CG LEU B 51 21.632 -2.037 2.366 1.00 14.98 C ATOM 1350 CD1 LEU B 51 20.252 -1.353 2.370 1.00 14.03 C ATOM 1351 CD2 LEU B 51 22.677 -1.161 3.025 1.00 15.53 C ATOM 0 H LEU B 51 21.058 -5.718 3.761 1.00 14.29 H new ATOM 0 HA LEU B 51 19.731 -3.979 2.408 1.00 14.39 H new ATOM 0 HB2 LEU B 51 21.388 -3.340 3.948 1.00 13.96 H new ATOM 0 HB3 LEU B 51 22.493 -3.817 2.957 1.00 13.96 H new ATOM 0 HG LEU B 51 21.875 -2.161 1.435 1.00 14.98 H new ATOM 0 HD11 LEU B 51 20.323 -0.479 1.956 1.00 14.03 H new ATOM 0 HD12 LEU B 51 19.620 -1.896 1.873 1.00 14.03 H new ATOM 0 HD13 LEU B 51 19.943 -1.253 3.284 1.00 14.03 H new ATOM 0 HD21 LEU B 51 22.677 -0.286 2.606 1.00 15.53 H new ATOM 0 HD22 LEU B 51 22.472 -1.067 3.968 1.00 15.53 H new ATOM 0 HD23 LEU B 51 23.552 -1.568 2.923 1.00 15.53 H new ATOM 1352 N ALA B 52 21.861 -5.546 0.591 1.00 13.73 N ATOM 1353 CA ALA B 52 22.213 -5.836 -0.800 1.00 14.01 C ATOM 1354 C ALA B 52 21.000 -6.295 -1.633 1.00 13.86 C ATOM 1355 O ALA B 52 20.811 -5.843 -2.769 1.00 13.56 O ATOM 1356 CB ALA B 52 23.345 -6.870 -0.868 1.00 13.57 C ATOM 0 H ALA B 52 22.292 -6.005 1.177 1.00 13.73 H new ATOM 0 HA ALA B 52 22.524 -5.005 -1.193 1.00 14.01 H new ATOM 0 HB1 ALA B 52 23.564 -7.049 -1.796 1.00 13.57 H new ATOM 0 HB2 ALA B 52 24.128 -6.523 -0.412 1.00 13.57 H new ATOM 0 HB3 ALA B 52 23.059 -7.692 -0.439 1.00 13.57 H new ATOM 1357 N ASP B 53 20.182 -7.185 -1.067 1.00 14.08 N ATOM 1358 CA ASP B 53 19.007 -7.699 -1.762 1.00 13.93 C ATOM 1359 C ASP B 53 17.975 -6.602 -2.020 1.00 13.37 C ATOM 1360 O ASP B 53 17.348 -6.578 -3.074 1.00 13.46 O ATOM 1361 CB ASP B 53 18.348 -8.840 -0.993 1.00 14.32 C ATOM 1362 CG ASP B 53 19.050 -10.174 -1.190 1.00 16.29 C ATOM 1363 OD1 ASP B 53 20.098 -10.232 -1.869 1.00 17.78 O ATOM 1364 OD2 ASP B 53 18.522 -11.162 -0.650 1.00 18.11 O ATOM 0 H ASP B 53 20.294 -7.504 -0.276 1.00 14.08 H new ATOM 0 HA ASP B 53 19.324 -8.037 -2.614 1.00 13.93 H new ATOM 0 HB2 ASP B 53 18.338 -8.622 -0.048 1.00 14.32 H new ATOM 0 HB3 ASP B 53 17.424 -8.922 -1.275 1.00 14.32 H new ATOM 1365 N VAL B 54 17.824 -5.683 -1.071 1.00 13.13 N ATOM 1366 CA VAL B 54 16.875 -4.577 -1.261 1.00 12.53 C ATOM 1367 C VAL B 54 17.408 -3.573 -2.291 1.00 12.68 C ATOM 1368 O VAL B 54 16.673 -3.145 -3.174 1.00 12.38 O ATOM 1369 CB VAL B 54 16.486 -3.935 0.088 1.00 12.41 C ATOM 1370 CG1 VAL B 54 15.518 -2.742 -0.100 1.00 13.03 C ATOM 1371 CG2 VAL B 54 15.855 -5.004 0.970 1.00 11.10 C ATOM 0 H VAL B 54 18.249 -5.676 -0.323 1.00 13.13 H new ATOM 0 HA VAL B 54 16.050 -4.931 -1.630 1.00 12.53 H new ATOM 0 HB VAL B 54 17.285 -3.583 0.510 1.00 12.41 H new ATOM 0 HG11 VAL B 54 15.296 -2.365 0.766 1.00 13.03 H new ATOM 0 HG12 VAL B 54 15.943 -2.064 -0.648 1.00 13.03 H new ATOM 0 HG13 VAL B 54 14.707 -3.048 -0.536 1.00 13.03 H new ATOM 0 HG21 VAL B 54 15.605 -4.614 1.822 1.00 11.10 H new ATOM 0 HG22 VAL B 54 15.065 -5.359 0.533 1.00 11.10 H new ATOM 0 HG23 VAL B 54 16.492 -5.720 1.117 1.00 11.10 H new ATOM 1372 N GLN B 55 18.691 -3.224 -2.198 1.00 11.93 N ATOM 1373 CA GLN B 55 19.317 -2.339 -3.179 1.00 12.91 C ATOM 1374 C GLN B 55 19.244 -2.916 -4.601 1.00 13.06 C ATOM 1375 O GLN B 55 19.073 -2.184 -5.589 1.00 13.67 O ATOM 1376 CB GLN B 55 20.765 -2.066 -2.781 1.00 13.06 C ATOM 1377 CG GLN B 55 20.870 -1.294 -1.467 1.00 13.99 C ATOM 1378 CD GLN B 55 22.298 -1.013 -1.055 1.00 16.84 C ATOM 1379 OE1 GLN B 55 23.187 -1.955 -1.327 1.00 17.46 O flip ATOM 1380 NE2 GLN B 55 22.596 0.045 -0.486 1.00 16.83 N flip ATOM 0 H GLN B 55 19.217 -3.490 -1.572 1.00 11.93 H new ATOM 0 HA GLN B 55 18.824 -1.503 -3.185 1.00 12.91 H new ATOM 0 HB2 GLN B 55 21.239 -2.908 -2.698 1.00 13.06 H new ATOM 0 HB3 GLN B 55 21.202 -1.562 -3.485 1.00 13.06 H new ATOM 0 HG2 GLN B 55 20.393 -0.454 -1.553 1.00 13.99 H new ATOM 0 HG3 GLN B 55 20.430 -1.799 -0.765 1.00 13.99 H new ATOM 0 HE21 GLN B 55 21.989 0.633 -0.327 1.00 16.83 H new ATOM 0 HE22 GLN B 55 23.410 0.192 -0.250 1.00 16.83 H new ATOM 1381 N ALA B 56 19.315 -4.242 -4.694 1.00 13.01 N ATOM 1382 CA ALA B 56 19.205 -4.908 -5.992 1.00 12.75 C ATOM 1383 C ALA B 56 17.844 -4.701 -6.692 1.00 12.23 C ATOM 1384 O ALA B 56 17.745 -4.868 -7.919 1.00 12.27 O ATOM 1385 CB ALA B 56 19.496 -6.373 -5.834 1.00 12.14 C ATOM 0 H ALA B 56 19.426 -4.771 -4.025 1.00 13.01 H new ATOM 0 HA ALA B 56 19.863 -4.493 -6.571 1.00 12.75 H new ATOM 0 HB1 ALA B 56 19.422 -6.812 -6.696 1.00 12.14 H new ATOM 0 HB2 ALA B 56 20.395 -6.489 -5.488 1.00 12.14 H new ATOM 0 HB3 ALA B 56 18.859 -6.765 -5.216 1.00 12.14 H new ATOM 1386 N VAL B 57 16.810 -4.340 -5.923 1.00 12.33 N ATOM 1387 CA VAL B 57 15.487 -4.087 -6.495 1.00 12.07 C ATOM 1388 C VAL B 57 15.549 -2.944 -7.529 1.00 12.03 C ATOM 1389 O VAL B 57 14.785 -2.933 -8.479 1.00 11.73 O ATOM 1390 CB VAL B 57 14.392 -3.886 -5.397 1.00 11.73 C ATOM 1391 CG1 VAL B 57 13.020 -3.637 -5.992 1.00 10.59 C ATOM 1392 CG2 VAL B 57 14.328 -5.123 -4.496 1.00 12.30 C ATOM 0 H VAL B 57 16.856 -4.237 -5.070 1.00 12.33 H new ATOM 0 HA VAL B 57 15.209 -4.881 -6.977 1.00 12.07 H new ATOM 0 HB VAL B 57 14.642 -3.102 -4.883 1.00 11.73 H new ATOM 0 HG11 VAL B 57 12.374 -3.518 -5.278 1.00 10.59 H new ATOM 0 HG12 VAL B 57 13.045 -2.838 -6.541 1.00 10.59 H new ATOM 0 HG13 VAL B 57 12.762 -4.396 -6.538 1.00 10.59 H new ATOM 0 HG21 VAL B 57 13.648 -4.994 -3.817 1.00 12.30 H new ATOM 0 HG22 VAL B 57 14.107 -5.902 -5.030 1.00 12.30 H new ATOM 0 HG23 VAL B 57 15.189 -5.258 -4.069 1.00 12.30 H new ATOM 1393 N CYS B 58 16.536 -2.055 -7.382 1.00 12.16 N ATOM 1394 CA CYS B 58 16.729 -0.941 -8.303 1.00 12.32 C ATOM 1395 C CYS B 58 17.097 -1.387 -9.718 1.00 12.78 C ATOM 1396 O CYS B 58 17.060 -0.579 -10.657 1.00 12.92 O ATOM 1397 CB CYS B 58 17.769 0.044 -7.767 1.00 12.85 C ATOM 1398 SG CYS B 58 17.274 0.811 -6.218 1.00 13.27 S ATOM 0 H CYS B 58 17.111 -2.085 -6.743 1.00 12.16 H new ATOM 0 HA CYS B 58 15.871 -0.493 -8.364 1.00 12.32 H new ATOM 0 HB2 CYS B 58 18.611 -0.420 -7.638 1.00 12.85 H new ATOM 0 HB3 CYS B 58 17.925 0.735 -8.430 1.00 12.85 H new ATOM 1399 N SER B 59 17.418 -2.670 -9.866 1.00 12.21 N ATOM 1400 CA SER B 59 17.741 -3.237 -11.173 1.00 13.02 C ATOM 1401 C SER B 59 16.696 -4.264 -11.611 1.00 13.02 C ATOM 1402 O SER B 59 16.943 -5.055 -12.524 1.00 13.39 O ATOM 1403 CB ASER B 59 19.171 -3.792 -11.225 0.50 12.81 C ATOM 1404 CB BSER B 59 19.098 -3.953 -11.097 0.50 12.94 C ATOM 1405 OG ASER B 59 19.429 -4.720 -10.196 0.50 12.15 O ATOM 1406 OG BSER B 59 20.154 -3.084 -10.727 0.50 14.90 O ATOM 0 H SER B 59 17.455 -3.233 -9.217 1.00 12.21 H new ATOM 0 HA SER B 59 17.710 -2.513 -11.818 1.00 13.02 H new ATOM 0 HB2ASER B 59 19.318 -4.217 -12.084 0.50 12.94 H new ATOM 0 HB2BSER B 59 19.041 -4.679 -10.456 0.50 12.94 H new ATOM 0 HB3ASER B 59 19.802 -3.058 -11.160 0.50 12.94 H new ATOM 0 HB3BSER B 59 19.298 -4.351 -11.959 0.50 12.94 H new ATOM 0 HG ASER B 59 18.817 -4.679 -9.622 0.50 14.90 H new ATOM 0 HG BSER B 59 19.981 -2.733 -9.984 0.50 14.90 H new ATOM 1407 N GLN B 60 15.538 -4.254 -10.956 1.00 11.87 N ATOM 1408 CA GLN B 60 14.510 -5.249 -11.264 1.00 12.13 C ATOM 1409 C GLN B 60 13.365 -4.636 -12.077 1.00 12.48 C ATOM 1410 O GLN B 60 13.638 -3.979 -13.099 1.00 13.26 O ATOM 1411 CB GLN B 60 14.103 -5.999 -10.002 1.00 12.18 C ATOM 1412 CG GLN B 60 15.340 -6.755 -9.442 1.00 11.15 C ATOM 1413 CD GLN B 60 15.143 -7.416 -8.093 1.00 13.94 C ATOM 1414 OE1 GLN B 60 14.022 -7.729 -7.688 1.00 12.95 O ATOM 1415 NE2 GLN B 60 16.264 -7.663 -7.396 1.00 14.40 N ATOM 0 H GLN B 60 15.328 -3.691 -10.340 1.00 11.87 H new ATOM 0 HA GLN B 60 14.871 -5.930 -11.853 1.00 12.13 H new ATOM 0 HB2 GLN B 60 13.761 -5.379 -9.339 1.00 12.18 H new ATOM 0 HB3 GLN B 60 13.389 -6.625 -10.200 1.00 12.18 H new ATOM 0 HG2 GLN B 60 15.602 -7.435 -10.083 1.00 11.15 H new ATOM 0 HG3 GLN B 60 16.078 -6.130 -9.374 1.00 11.15 H new ATOM 0 HE21 GLN B 60 17.028 -7.429 -7.713 1.00 14.40 H new ATOM 0 HE22 GLN B 60 16.218 -8.056 -6.632 1.00 14.40 H new ATOM 1416 N LYS B 61 12.108 -4.850 -11.690 1.00 12.16 N ATOM 1417 CA LYS B 61 11.011 -4.527 -12.607 1.00 11.84 C ATOM 1418 C LYS B 61 10.632 -3.061 -12.505 1.00 12.09 C ATOM 1419 O LYS B 61 10.022 -2.648 -11.521 1.00 11.68 O ATOM 1420 CB LYS B 61 9.780 -5.412 -12.355 1.00 12.33 C ATOM 1421 CG LYS B 61 8.683 -5.186 -13.384 1.00 14.83 C ATOM 1422 CD LYS B 61 7.368 -5.840 -12.991 1.00 19.75 C ATOM 1423 CE LYS B 61 6.212 -5.293 -13.830 1.00 22.87 C ATOM 1424 NZ LYS B 61 6.442 -5.439 -15.305 1.00 25.43 N ATOM 0 H LYS B 61 11.872 -5.170 -10.928 1.00 12.16 H new ATOM 0 HA LYS B 61 11.328 -4.705 -13.506 1.00 11.84 H new ATOM 0 HB2 LYS B 61 10.047 -6.344 -12.370 1.00 12.33 H new ATOM 0 HB3 LYS B 61 9.431 -5.231 -11.468 1.00 12.33 H new ATOM 0 HG2 LYS B 61 8.544 -4.233 -13.500 1.00 14.83 H new ATOM 0 HG3 LYS B 61 8.971 -5.537 -14.241 1.00 14.83 H new ATOM 0 HD2 LYS B 61 7.432 -6.801 -13.110 1.00 19.75 H new ATOM 0 HD3 LYS B 61 7.193 -5.682 -12.050 1.00 19.75 H new ATOM 0 HE2 LYS B 61 5.395 -5.756 -13.587 1.00 22.87 H new ATOM 0 HE3 LYS B 61 6.080 -4.355 -13.619 1.00 22.87 H new ATOM 0 HZ1 LYS B 61 5.788 -5.031 -15.750 1.00 25.43 H new ATOM 0 HZ2 LYS B 61 7.222 -5.070 -15.522 1.00 25.43 H new ATOM 0 HZ3 LYS B 61 6.452 -6.303 -15.520 1.00 25.43 H new ATOM 1425 N ASN B 62 10.968 -2.291 -13.537 1.00 11.58 N ATOM 1426 CA ASN B 62 10.587 -0.870 -13.561 1.00 12.31 C ATOM 1427 C ASN B 62 9.064 -0.695 -13.609 1.00 12.05 C ATOM 1428 O ASN B 62 8.372 -1.336 -14.414 1.00 11.75 O ATOM 1429 CB ASN B 62 11.245 -0.179 -14.748 1.00 12.51 C ATOM 1430 CG ASN B 62 10.923 1.296 -14.810 1.00 13.61 C ATOM 1431 OD1 ASN B 62 10.550 1.813 -15.867 1.00 14.67 O ATOM 1432 ND2 ASN B 62 11.077 1.988 -13.685 1.00 12.36 N ATOM 0 H ASN B 62 11.409 -2.561 -14.224 1.00 11.58 H new ATOM 0 HA ASN B 62 10.899 -0.459 -12.740 1.00 12.31 H new ATOM 0 HB2 ASN B 62 12.206 -0.295 -14.694 1.00 12.51 H new ATOM 0 HB3 ASN B 62 10.954 -0.605 -15.569 1.00 12.51 H new ATOM 0 HD21 ASN B 62 10.915 2.832 -13.674 1.00 12.36 H new ATOM 0 HD22 ASN B 62 11.339 1.591 -12.968 1.00 12.36 H new ATOM 1433 N VAL B 63 8.541 0.145 -12.715 1.00 11.74 N ATOM 1434 CA VAL B 63 7.103 0.443 -12.671 1.00 12.06 C ATOM 1435 C VAL B 63 6.915 1.926 -12.352 1.00 12.50 C ATOM 1436 O VAL B 63 7.839 2.569 -11.849 1.00 13.42 O ATOM 1437 CB VAL B 63 6.362 -0.413 -11.599 1.00 11.86 C ATOM 1438 CG1 VAL B 63 6.441 -1.905 -11.913 1.00 12.46 C ATOM 1439 CG2 VAL B 63 6.894 -0.120 -10.186 1.00 11.61 C ATOM 0 H VAL B 63 9.005 0.557 -12.119 1.00 11.74 H new ATOM 0 HA VAL B 63 6.723 0.225 -13.536 1.00 12.06 H new ATOM 0 HB VAL B 63 5.426 -0.158 -11.626 1.00 11.86 H new ATOM 0 HG11 VAL B 63 5.971 -2.405 -11.228 1.00 12.46 H new ATOM 0 HG12 VAL B 63 6.032 -2.076 -12.776 1.00 12.46 H new ATOM 0 HG13 VAL B 63 7.370 -2.182 -11.935 1.00 12.46 H new ATOM 0 HG21 VAL B 63 6.417 -0.665 -9.541 1.00 11.61 H new ATOM 0 HG22 VAL B 63 7.841 -0.328 -10.147 1.00 11.61 H new ATOM 0 HG23 VAL B 63 6.761 0.818 -9.978 1.00 11.61 H new ATOM 1440 N ALA B 64 5.733 2.479 -12.643 1.00 12.99 N ATOM 1441 CA ALA B 64 5.436 3.826 -12.165 1.00 13.29 C ATOM 1442 C ALA B 64 5.314 3.850 -10.633 1.00 13.63 C ATOM 1443 O ALA B 64 4.916 2.857 -10.027 1.00 14.05 O ATOM 1444 CB ALA B 64 4.162 4.387 -12.815 1.00 13.09 C ATOM 0 H ALA B 64 5.110 2.103 -13.101 1.00 12.99 H new ATOM 0 HA ALA B 64 6.177 4.396 -12.424 1.00 13.29 H new ATOM 0 HB1 ALA B 64 3.993 5.280 -12.477 1.00 13.09 H new ATOM 0 HB2 ALA B 64 4.278 4.422 -13.777 1.00 13.09 H new ATOM 0 HB3 ALA B 64 3.410 3.813 -12.601 1.00 13.09 H new ATOM 1445 N CYS B 65 5.680 4.981 -10.029 1.00 13.47 N ATOM 1446 CA CYS B 65 5.486 5.225 -8.592 1.00 13.38 C ATOM 1447 C CYS B 65 4.076 5.760 -8.341 1.00 13.37 C ATOM 1448 O CYS B 65 3.412 6.227 -9.274 1.00 13.01 O ATOM 1449 CB CYS B 65 6.484 6.279 -8.083 1.00 13.42 C ATOM 1450 SG CYS B 65 8.227 5.879 -8.366 1.00 14.00 S ATOM 0 H CYS B 65 6.052 5.636 -10.443 1.00 13.47 H new ATOM 0 HA CYS B 65 5.623 4.385 -8.126 1.00 13.38 H new ATOM 0 HB2 CYS B 65 6.286 7.126 -8.512 1.00 13.42 H new ATOM 0 HB3 CYS B 65 6.345 6.404 -7.131 1.00 13.42 H new ATOM 1451 N LYS B 66 3.641 5.730 -7.084 1.00 12.59 N ATOM 1452 CA LYS B 66 2.339 6.284 -6.712 1.00 13.71 C ATOM 1453 C LYS B 66 2.226 7.735 -7.176 1.00 13.24 C ATOM 1454 O LYS B 66 1.158 8.171 -7.618 1.00 13.11 O ATOM 1455 CB LYS B 66 2.122 6.197 -5.197 1.00 13.48 C ATOM 1456 CG LYS B 66 0.846 6.857 -4.701 1.00 14.88 C ATOM 1457 CD LYS B 66 0.583 6.571 -3.219 1.00 15.97 C ATOM 1458 CE LYS B 66 1.754 7.018 -2.323 1.00 19.42 C ATOM 1459 NZ LYS B 66 1.363 7.036 -0.886 1.00 21.03 N ATOM 0 H LYS B 66 4.085 5.393 -6.429 1.00 12.59 H new ATOM 0 HA LYS B 66 1.651 5.759 -7.151 1.00 13.71 H new ATOM 0 HB2 LYS B 66 2.111 5.263 -4.937 1.00 13.48 H new ATOM 0 HB3 LYS B 66 2.879 6.607 -4.750 1.00 13.48 H new ATOM 0 HG2 LYS B 66 0.906 7.815 -4.838 1.00 14.88 H new ATOM 0 HG3 LYS B 66 0.095 6.541 -5.228 1.00 14.88 H new ATOM 0 HD2 LYS B 66 -0.227 7.028 -2.942 1.00 15.97 H new ATOM 0 HD3 LYS B 66 0.429 5.621 -3.097 1.00 15.97 H new ATOM 0 HE2 LYS B 66 2.506 6.418 -2.448 1.00 19.42 H new ATOM 0 HE3 LYS B 66 2.049 7.902 -2.591 1.00 19.42 H new ATOM 0 HZ1 LYS B 66 2.056 7.297 -0.393 1.00 21.03 H new ATOM 0 HZ2 LYS B 66 0.686 7.602 -0.769 1.00 21.03 H new ATOM 0 HZ3 LYS B 66 1.112 6.219 -0.636 1.00 21.03 H new ATOM 1460 N ASN B 67 3.331 8.473 -7.088 1.00 13.15 N ATOM 1461 CA ASN B 67 3.328 9.896 -7.474 1.00 13.89 C ATOM 1462 C ASN B 67 3.406 10.173 -8.983 1.00 13.91 C ATOM 1463 O ASN B 67 3.486 11.345 -9.401 1.00 13.98 O ATOM 1464 CB ASN B 67 4.441 10.656 -6.741 1.00 13.68 C ATOM 1465 CG ASN B 67 5.836 10.230 -7.173 1.00 14.37 C ATOM 1466 OD1 ASN B 67 6.009 9.495 -8.148 1.00 12.89 O ATOM 1467 ND2 ASN B 67 6.848 10.711 -6.449 1.00 17.33 N ATOM 0 H ASN B 67 4.090 8.178 -6.810 1.00 13.15 H new ATOM 0 HA ASN B 67 2.455 10.221 -7.202 1.00 13.89 H new ATOM 0 HB2 ASN B 67 4.335 11.607 -6.900 1.00 13.68 H new ATOM 0 HB3 ASN B 67 4.347 10.516 -5.786 1.00 13.68 H new ATOM 0 HD21 ASN B 67 7.658 10.511 -6.656 1.00 17.33 H new ATOM 0 HD22 ASN B 67 6.690 11.221 -5.775 1.00 17.33 H new ATOM 1468 N GLY B 68 3.423 9.112 -9.786 1.00 14.34 N ATOM 1469 CA GLY B 68 3.454 9.243 -11.242 1.00 14.22 C ATOM 1470 C GLY B 68 4.835 9.298 -11.858 1.00 14.67 C ATOM 1471 O GLY B 68 4.976 9.237 -13.077 1.00 15.03 O ATOM 0 H GLY B 68 3.417 8.299 -9.505 1.00 14.34 H new ATOM 0 HA2 GLY B 68 2.973 8.495 -11.629 1.00 14.22 H new ATOM 0 HA3 GLY B 68 2.973 10.048 -11.490 1.00 14.22 H new ATOM 1472 N GLN B 69 5.868 9.424 -11.030 1.00 14.58 N ATOM 1473 CA GLN B 69 7.225 9.312 -11.553 1.00 15.02 C ATOM 1474 C GLN B 69 7.542 7.853 -11.879 1.00 14.79 C ATOM 1475 O GLN B 69 6.839 6.954 -11.418 1.00 15.31 O ATOM 1476 CB GLN B 69 8.232 9.938 -10.598 1.00 15.49 C ATOM 1477 CG GLN B 69 8.145 11.460 -10.638 1.00 18.29 C ATOM 1478 CD GLN B 69 8.883 12.128 -9.512 1.00 22.05 C ATOM 1479 OE1 GLN B 69 9.506 11.467 -8.683 1.00 25.44 O ATOM 1480 NE2 GLN B 69 8.816 13.450 -9.470 1.00 22.71 N ATOM 0 H GLN B 69 5.809 9.571 -10.185 1.00 14.58 H new ATOM 0 HA GLN B 69 7.291 9.812 -12.381 1.00 15.02 H new ATOM 0 HB2 GLN B 69 8.066 9.624 -9.695 1.00 15.49 H new ATOM 0 HB3 GLN B 69 9.129 9.655 -10.836 1.00 15.49 H new ATOM 0 HG2 GLN B 69 8.502 11.776 -11.483 1.00 18.29 H new ATOM 0 HG3 GLN B 69 7.212 11.725 -10.607 1.00 18.29 H new ATOM 0 HE21 GLN B 69 8.370 13.877 -10.068 1.00 22.71 H new ATOM 0 HE22 GLN B 69 9.219 13.881 -8.844 1.00 22.71 H new ATOM 1481 N THR B 70 8.554 7.622 -12.709 1.00 14.18 N ATOM 1482 CA THR B 70 8.790 6.276 -13.225 1.00 14.85 C ATOM 1483 C THR B 70 10.147 5.700 -12.788 1.00 14.38 C ATOM 1484 O THR B 70 10.745 4.860 -13.469 1.00 14.80 O ATOM 1485 CB THR B 70 8.574 6.204 -14.770 1.00 14.92 C ATOM 1486 OG1 THR B 70 9.530 7.036 -15.427 1.00 14.87 O ATOM 1487 CG2 THR B 70 7.156 6.668 -15.163 1.00 16.64 C ATOM 0 H THR B 70 9.108 8.220 -12.983 1.00 14.18 H new ATOM 0 HA THR B 70 8.121 5.701 -12.821 1.00 14.85 H new ATOM 0 HB THR B 70 8.684 5.280 -15.043 1.00 14.92 H new ATOM 0 HG1 THR B 70 9.413 6.995 -16.258 1.00 14.87 H new ATOM 0 HG21 THR B 70 7.052 6.612 -16.126 1.00 16.64 H new ATOM 0 HG22 THR B 70 6.498 6.099 -14.734 1.00 16.64 H new ATOM 0 HG23 THR B 70 7.025 7.585 -14.877 1.00 16.64 H new ATOM 1488 N ASN B 71 10.623 6.139 -11.626 1.00 13.91 N ATOM 1489 CA ASN B 71 11.866 5.597 -11.077 1.00 13.11 C ATOM 1490 C ASN B 71 11.592 4.571 -9.976 1.00 13.69 C ATOM 1491 O ASN B 71 12.382 4.442 -9.038 1.00 13.09 O ATOM 1492 CB ASN B 71 12.766 6.730 -10.556 1.00 13.75 C ATOM 1493 CG ASN B 71 12.151 7.472 -9.363 1.00 13.48 C ATOM 1494 OD1 ASN B 71 10.963 7.802 -9.359 1.00 16.29 O ATOM 1495 ND2 ASN B 71 12.967 7.739 -8.351 1.00 13.01 N ATOM 0 H ASN B 71 10.247 6.743 -11.143 1.00 13.91 H new ATOM 0 HA ASN B 71 12.332 5.139 -11.794 1.00 13.11 H new ATOM 0 HB2 ASN B 71 13.625 6.362 -10.296 1.00 13.75 H new ATOM 0 HB3 ASN B 71 12.933 7.361 -11.273 1.00 13.75 H new ATOM 0 HD21 ASN B 71 12.672 8.157 -7.660 1.00 13.01 H new ATOM 0 HD22 ASN B 71 13.791 7.494 -8.387 1.00 13.01 H new ATOM 1496 N CYS B 72 10.453 3.881 -10.079 1.00 14.08 N ATOM 1497 CA CYS B 72 10.109 2.819 -9.128 1.00 13.89 C ATOM 1498 C CYS B 72 10.383 1.457 -9.711 1.00 13.84 C ATOM 1499 O CYS B 72 10.412 1.274 -10.937 1.00 13.16 O ATOM 1500 CB CYS B 72 8.671 2.915 -8.632 1.00 14.85 C ATOM 1501 SG CYS B 72 8.482 4.149 -7.332 1.00 15.80 S ATOM 0 H CYS B 72 9.865 4.013 -10.693 1.00 14.08 H new ATOM 0 HA CYS B 72 10.682 2.946 -8.356 1.00 13.89 H new ATOM 0 HB2 CYS B 72 8.088 3.138 -9.375 1.00 14.85 H new ATOM 0 HB3 CYS B 72 8.387 2.050 -8.298 1.00 14.85 H new ATOM 1502 N TYR B 73 10.630 0.520 -8.800 1.00 13.26 N ATOM 1503 CA TYR B 73 10.991 -0.837 -9.144 1.00 13.36 C ATOM 1504 C TYR B 73 10.280 -1.782 -8.221 1.00 13.40 C ATOM 1505 O TYR B 73 10.254 -1.558 -6.999 1.00 13.21 O ATOM 1506 CB TYR B 73 12.505 -1.029 -9.034 1.00 14.04 C ATOM 1507 CG TYR B 73 13.222 -0.147 -10.014 1.00 13.76 C ATOM 1508 CD1 TYR B 73 13.567 1.154 -9.668 1.00 14.16 C ATOM 1509 CD2 TYR B 73 13.518 -0.600 -11.307 1.00 15.20 C ATOM 1510 CE1 TYR B 73 14.204 1.996 -10.578 1.00 14.72 C ATOM 1511 CE2 TYR B 73 14.147 0.232 -12.219 1.00 15.45 C ATOM 1512 CZ TYR B 73 14.491 1.523 -11.846 1.00 15.29 C ATOM 1513 OH TYR B 73 15.125 2.372 -12.734 1.00 16.90 O ATOM 0 H TYR B 73 10.590 0.664 -7.953 1.00 13.26 H new ATOM 0 HA TYR B 73 10.728 -1.018 -10.060 1.00 13.36 H new ATOM 0 HB2 TYR B 73 12.797 -0.824 -8.132 1.00 14.04 H new ATOM 0 HB3 TYR B 73 12.731 -1.957 -9.201 1.00 14.04 H new ATOM 0 HD1 TYR B 73 13.370 1.468 -8.815 1.00 14.16 H new ATOM 0 HD2 TYR B 73 13.290 -1.467 -11.555 1.00 15.20 H new ATOM 0 HE1 TYR B 73 14.433 2.864 -10.336 1.00 14.72 H new ATOM 0 HE2 TYR B 73 14.338 -0.073 -13.077 1.00 15.45 H new ATOM 0 HH TYR B 73 15.466 3.014 -12.313 1.00 16.90 H new ATOM 1514 N GLN B 74 9.717 -2.826 -8.817 1.00 13.62 N ATOM 1515 CA GLN B 74 9.092 -3.896 -8.062 1.00 13.46 C ATOM 1516 C GLN B 74 10.058 -5.079 -7.966 1.00 13.49 C ATOM 1517 O GLN B 74 10.676 -5.481 -8.968 1.00 13.76 O ATOM 1518 CB GLN B 74 7.787 -4.345 -8.711 1.00 14.18 C ATOM 1519 CG GLN B 74 7.062 -5.384 -7.865 1.00 16.48 C ATOM 1520 CD GLN B 74 6.345 -6.439 -8.686 1.00 22.21 C ATOM 1521 OE1 GLN B 74 5.267 -6.196 -9.212 1.00 22.52 O ATOM 1522 NE2 GLN B 74 6.947 -7.637 -8.790 1.00 23.33 N ATOM 0 H GLN B 74 9.688 -2.932 -9.670 1.00 13.62 H new ATOM 0 HA GLN B 74 8.885 -3.564 -7.174 1.00 13.46 H new ATOM 0 HB2 GLN B 74 7.210 -3.576 -8.843 1.00 14.18 H new ATOM 0 HB3 GLN B 74 7.973 -4.715 -9.588 1.00 14.18 H new ATOM 0 HG2 GLN B 74 7.703 -5.819 -7.281 1.00 16.48 H new ATOM 0 HG3 GLN B 74 6.418 -4.935 -7.295 1.00 16.48 H new ATOM 0 HE21 GLN B 74 7.705 -7.772 -8.407 1.00 23.33 H new ATOM 0 HE22 GLN B 74 6.574 -8.268 -9.240 1.00 23.33 H new ATOM 1523 N SER B 75 10.188 -5.638 -6.765 1.00 12.35 N ATOM 1524 CA SER B 75 11.055 -6.800 -6.588 1.00 11.93 C ATOM 1525 C SER B 75 10.496 -7.999 -7.346 1.00 12.34 C ATOM 1526 O SER B 75 9.287 -8.264 -7.331 1.00 11.62 O ATOM 1527 CB SER B 75 11.240 -7.160 -5.113 1.00 11.85 C ATOM 1528 OG SER B 75 10.022 -7.585 -4.498 1.00 11.31 O ATOM 0 H SER B 75 9.791 -5.366 -6.052 1.00 12.35 H new ATOM 0 HA SER B 75 11.925 -6.565 -6.947 1.00 11.93 H new ATOM 0 HB2 SER B 75 11.902 -7.865 -5.036 1.00 11.85 H new ATOM 0 HB3 SER B 75 11.589 -6.390 -4.636 1.00 11.85 H new ATOM 0 HG SER B 75 10.027 -8.421 -4.415 1.00 11.31 H new ATOM 1529 N TYR B 76 11.388 -8.736 -7.984 1.00 12.02 N ATOM 1530 CA TYR B 76 10.975 -9.954 -8.679 1.00 13.31 C ATOM 1531 C TYR B 76 10.496 -11.009 -7.690 1.00 13.68 C ATOM 1532 O TYR B 76 9.527 -11.703 -7.952 1.00 14.23 O ATOM 1533 CB TYR B 76 12.141 -10.539 -9.457 1.00 13.35 C ATOM 1534 CG TYR B 76 12.599 -9.732 -10.653 1.00 13.37 C ATOM 1535 CD1 TYR B 76 11.684 -9.051 -11.473 1.00 13.35 C ATOM 1536 CD2 TYR B 76 13.945 -9.688 -10.994 1.00 13.87 C ATOM 1537 CE1 TYR B 76 12.111 -8.328 -12.599 1.00 12.38 C ATOM 1538 CE2 TYR B 76 14.385 -8.984 -12.115 1.00 12.91 C ATOM 1539 CZ TYR B 76 13.470 -8.301 -12.910 1.00 13.36 C ATOM 1540 OH TYR B 76 13.922 -7.616 -14.021 1.00 12.98 O ATOM 0 H TYR B 76 12.228 -8.557 -8.030 1.00 12.02 H new ATOM 0 HA TYR B 76 10.253 -9.714 -9.280 1.00 13.31 H new ATOM 0 HB2 TYR B 76 12.892 -10.646 -8.852 1.00 13.35 H new ATOM 0 HB3 TYR B 76 11.894 -11.426 -9.761 1.00 13.35 H new ATOM 0 HD1 TYR B 76 10.778 -9.079 -11.266 1.00 13.35 H new ATOM 0 HD2 TYR B 76 14.565 -10.136 -10.465 1.00 13.87 H new ATOM 0 HE1 TYR B 76 11.496 -7.874 -13.129 1.00 12.38 H new ATOM 0 HE2 TYR B 76 15.290 -8.971 -12.331 1.00 12.91 H new ATOM 0 HH TYR B 76 14.662 -7.932 -14.263 1.00 12.98 H new ATOM 1541 N SER B 77 11.202 -11.129 -6.570 1.00 14.35 N ATOM 1542 CA SER B 77 10.887 -12.110 -5.535 1.00 15.33 C ATOM 1543 C SER B 77 10.026 -11.493 -4.445 1.00 15.35 C ATOM 1544 O SER B 77 10.049 -10.270 -4.232 1.00 13.91 O ATOM 1545 CB SER B 77 12.172 -12.652 -4.904 1.00 16.22 C ATOM 1546 OG SER B 77 13.012 -13.271 -5.868 1.00 19.20 O ATOM 0 H SER B 77 11.884 -10.638 -6.387 1.00 14.35 H new ATOM 0 HA SER B 77 10.398 -12.834 -5.956 1.00 15.33 H new ATOM 0 HB2 SER B 77 12.652 -11.927 -4.474 1.00 16.22 H new ATOM 0 HB3 SER B 77 11.947 -13.293 -4.212 1.00 16.22 H new ATOM 0 HG SER B 77 13.813 -13.207 -5.624 1.00 19.20 H new ATOM 1547 N THR B 78 9.254 -12.327 -3.754 1.00 15.22 N ATOM 1548 CA THR B 78 8.658 -11.875 -2.499 1.00 16.17 C ATOM 1549 C THR B 78 9.779 -11.719 -1.484 1.00 15.94 C ATOM 1550 O THR B 78 10.817 -12.400 -1.566 1.00 16.04 O ATOM 1551 CB THR B 78 7.603 -12.825 -1.921 1.00 15.82 C ATOM 1552 OG1 THR B 78 8.171 -14.127 -1.718 1.00 17.67 O ATOM 1553 CG2 THR B 78 6.404 -12.918 -2.839 1.00 17.93 C ATOM 0 H THR B 78 9.066 -13.134 -3.984 1.00 15.22 H new ATOM 0 HA THR B 78 8.197 -11.042 -2.686 1.00 16.17 H new ATOM 0 HB THR B 78 7.308 -12.471 -1.067 1.00 15.82 H new ATOM 0 HG1 THR B 78 8.593 -14.139 -0.992 1.00 17.67 H new ATOM 0 HG21 THR B 78 5.749 -13.523 -2.456 1.00 17.93 H new ATOM 0 HG22 THR B 78 6.008 -12.039 -2.945 1.00 17.93 H new ATOM 0 HG23 THR B 78 6.685 -13.252 -3.705 1.00 17.93 H new ATOM 1554 N MET B 79 9.554 -10.823 -0.531 1.00 15.40 N ATOM 1555 CA MET B 79 10.503 -10.561 0.531 1.00 15.33 C ATOM 1556 C MET B 79 9.789 -10.593 1.871 1.00 15.39 C ATOM 1557 O MET B 79 8.599 -10.256 1.963 1.00 15.76 O ATOM 1558 CB MET B 79 11.147 -9.191 0.325 1.00 15.26 C ATOM 1559 CG MET B 79 12.011 -9.099 -0.915 1.00 14.56 C ATOM 1560 SD MET B 79 12.889 -7.532 -0.926 1.00 16.86 S ATOM 1561 CE MET B 79 14.036 -7.802 -2.269 1.00 18.06 C ATOM 0 H MET B 79 8.839 -10.348 -0.486 1.00 15.40 H new ATOM 0 HA MET B 79 11.193 -11.242 0.517 1.00 15.33 H new ATOM 0 HB2 MET B 79 10.449 -8.520 0.272 1.00 15.26 H new ATOM 0 HB3 MET B 79 11.688 -8.978 1.102 1.00 15.26 H new ATOM 0 HG2 MET B 79 12.643 -9.834 -0.935 1.00 14.56 H new ATOM 0 HG3 MET B 79 11.461 -9.177 -1.710 1.00 14.56 H new ATOM 0 HE1 MET B 79 14.649 -7.053 -2.327 1.00 18.06 H new ATOM 0 HE2 MET B 79 14.536 -8.617 -2.109 1.00 18.06 H new ATOM 0 HE3 MET B 79 13.546 -7.883 -3.102 1.00 18.06 H new ATOM 1562 N SER B 80 10.518 -11.004 2.901 1.00 15.42 N ATOM 1563 CA SER B 80 10.008 -10.974 4.264 1.00 15.70 C ATOM 1564 C SER B 80 9.842 -9.521 4.734 1.00 16.23 C ATOM 1565 O SER B 80 10.823 -8.786 4.836 1.00 17.10 O ATOM 1566 CB SER B 80 10.954 -11.735 5.198 1.00 16.47 C ATOM 1567 OG SER B 80 10.558 -11.548 6.541 1.00 16.78 O ATOM 0 H SER B 80 11.320 -11.307 2.830 1.00 15.42 H new ATOM 0 HA SER B 80 9.140 -11.407 4.285 1.00 15.70 H new ATOM 0 HB2 SER B 80 10.946 -12.680 4.979 1.00 16.47 H new ATOM 0 HB3 SER B 80 11.864 -11.422 5.074 1.00 16.47 H new ATOM 0 HG SER B 80 11.077 -11.971 7.048 1.00 16.78 H new ATOM 1568 N ILE B 81 8.605 -9.125 5.018 1.00 16.29 N ATOM 1569 CA ILE B 81 8.326 -7.779 5.533 1.00 16.76 C ATOM 1570 C ILE B 81 7.496 -7.813 6.819 1.00 16.25 C ATOM 1571 O ILE B 81 6.874 -8.832 7.150 1.00 16.22 O ATOM 1572 CB ILE B 81 7.631 -6.862 4.483 1.00 16.88 C ATOM 1573 CG1 ILE B 81 6.228 -7.379 4.127 1.00 17.73 C ATOM 1574 CG2 ILE B 81 8.513 -6.687 3.237 1.00 17.72 C ATOM 1575 CD1 ILE B 81 5.292 -6.314 3.633 1.00 22.54 C ATOM 0 H ILE B 81 7.908 -9.620 4.920 1.00 16.29 H new ATOM 0 HA ILE B 81 9.195 -7.398 5.734 1.00 16.76 H new ATOM 0 HB ILE B 81 7.515 -5.985 4.881 1.00 16.88 H new ATOM 0 HG12 ILE B 81 6.309 -8.066 3.447 1.00 17.73 H new ATOM 0 HG13 ILE B 81 5.840 -7.800 4.910 1.00 17.73 H new ATOM 0 HG21 ILE B 81 8.061 -6.114 2.598 1.00 17.72 H new ATOM 0 HG22 ILE B 81 9.357 -6.284 3.492 1.00 17.72 H new ATOM 0 HG23 ILE B 81 8.678 -7.553 2.833 1.00 17.72 H new ATOM 0 HD11 ILE B 81 4.430 -6.710 3.429 1.00 22.54 H new ATOM 0 HD12 ILE B 81 5.182 -5.636 4.318 1.00 22.54 H new ATOM 0 HD13 ILE B 81 5.658 -5.907 2.832 1.00 22.54 H new ATOM 1576 N THR B 82 7.509 -6.688 7.533 1.00 16.05 N ATOM 1577 CA THR B 82 6.598 -6.464 8.644 1.00 15.58 C ATOM 1578 C THR B 82 5.857 -5.160 8.395 1.00 15.20 C ATOM 1579 O THR B 82 6.464 -4.106 8.197 1.00 14.50 O ATOM 1580 CB THR B 82 7.318 -6.438 10.015 1.00 15.71 C ATOM 1581 OG1 THR B 82 8.052 -7.664 10.201 1.00 15.53 O ATOM 1582 CG2 THR B 82 6.304 -6.325 11.136 1.00 16.42 C ATOM 0 H THR B 82 8.048 -6.035 7.383 1.00 16.05 H new ATOM 0 HA THR B 82 5.975 -7.207 8.688 1.00 15.58 H new ATOM 0 HB THR B 82 7.918 -5.676 10.031 1.00 15.71 H new ATOM 0 HG1 THR B 82 7.521 -8.315 10.179 1.00 15.53 H new ATOM 0 HG21 THR B 82 6.765 -6.310 11.989 1.00 16.42 H new ATOM 0 HG22 THR B 82 5.794 -5.507 11.030 1.00 16.42 H new ATOM 0 HG23 THR B 82 5.703 -7.086 11.107 1.00 16.42 H new ATOM 1583 N ASP B 83 4.533 -5.256 8.397 1.00 15.23 N ATOM 1584 CA ASP B 83 3.678 -4.094 8.289 1.00 15.43 C ATOM 1585 C ASP B 83 3.356 -3.619 9.697 1.00 15.29 C ATOM 1586 O ASP B 83 2.888 -4.396 10.536 1.00 15.05 O ATOM 1587 CB AASP B 83 2.392 -4.412 7.520 0.50 15.82 C ATOM 1588 CB BASP B 83 2.416 -4.503 7.522 0.50 15.56 C ATOM 1589 CG AASP B 83 2.615 -4.535 6.017 0.50 16.95 C ATOM 1590 CG BASP B 83 1.359 -3.428 7.493 0.50 15.91 C ATOM 1591 OD1AASP B 83 3.378 -3.732 5.438 0.50 19.12 O ATOM 1592 OD1BASP B 83 1.194 -2.785 6.438 0.50 17.13 O ATOM 1593 OD2AASP B 83 2.007 -5.435 5.403 0.50 18.92 O ATOM 1594 OD2BASP B 83 0.675 -3.240 8.513 0.50 16.95 O ATOM 0 H ASP B 83 4.109 -6.001 8.461 1.00 15.23 H new ATOM 0 HA ASP B 83 4.137 -3.398 7.792 1.00 15.43 H new ATOM 0 HB2AASP B 83 2.016 -5.241 7.856 0.50 15.56 H new ATOM 0 HB2BASP B 83 2.659 -4.733 6.612 0.50 15.56 H new ATOM 0 HB3AASP B 83 1.739 -3.715 7.690 0.50 15.56 H new ATOM 0 HB3BASP B 83 2.044 -5.302 7.927 0.50 15.56 H new ATOM 1595 N CYS B 84 3.647 -2.353 9.969 1.00 14.86 N ATOM 1596 CA CYS B 84 3.326 -1.775 11.262 1.00 14.88 C ATOM 1597 C CYS B 84 2.215 -0.786 11.041 1.00 14.42 C ATOM 1598 O CYS B 84 2.377 0.147 10.269 1.00 14.67 O ATOM 1599 CB CYS B 84 4.538 -1.049 11.849 1.00 15.19 C ATOM 1600 SG CYS B 84 5.889 -2.133 12.288 1.00 16.11 S ATOM 0 H CYS B 84 4.030 -1.814 9.419 1.00 14.86 H new ATOM 0 HA CYS B 84 3.065 -2.473 11.883 1.00 14.88 H new ATOM 0 HB2 CYS B 84 4.855 -0.396 11.206 1.00 15.19 H new ATOM 0 HB3 CYS B 84 4.259 -0.558 12.638 1.00 15.19 H new ATOM 1601 N ARG B 85 1.087 -0.997 11.715 1.00 14.13 N ATOM 1602 CA ARG B 85 -0.012 -0.063 11.625 1.00 13.55 C ATOM 1603 C ARG B 85 -0.527 0.314 13.000 1.00 13.22 C ATOM 1604 O ARG B 85 -0.819 -0.546 13.816 1.00 12.63 O ATOM 1605 CB ARG B 85 -1.137 -0.614 10.764 1.00 13.22 C ATOM 1606 CG ARG B 85 -2.282 0.384 10.580 1.00 13.45 C ATOM 1607 CD ARG B 85 -3.253 -0.090 9.511 1.00 13.46 C ATOM 1608 NE ARG B 85 -2.709 -0.068 8.149 1.00 14.31 N ATOM 1609 CZ ARG B 85 -3.006 0.851 7.226 1.00 13.11 C ATOM 1610 NH1 ARG B 85 -3.828 1.854 7.514 1.00 10.39 N ATOM 1611 NH2 ARG B 85 -2.479 0.753 6.010 1.00 13.73 N ATOM 0 H ARG B 85 0.945 -1.674 12.226 1.00 14.13 H new ATOM 0 HA ARG B 85 0.326 0.740 11.199 1.00 13.55 H new ATOM 0 HB2 ARG B 85 -0.784 -0.859 9.895 1.00 13.22 H new ATOM 0 HB3 ARG B 85 -1.482 -1.425 11.169 1.00 13.22 H new ATOM 0 HG2 ARG B 85 -2.752 0.500 11.420 1.00 13.45 H new ATOM 0 HG3 ARG B 85 -1.923 1.251 10.334 1.00 13.45 H new ATOM 0 HD2 ARG B 85 -3.533 -0.994 9.722 1.00 13.46 H new ATOM 0 HD3 ARG B 85 -4.047 0.467 9.540 1.00 13.46 H new ATOM 0 HE ARG B 85 -2.159 -0.692 7.929 1.00 14.31 H new ATOM 0 HH11 ARG B 85 -4.173 1.915 8.299 1.00 10.39 H new ATOM 0 HH12 ARG B 85 -4.015 2.442 6.915 1.00 10.39 H new ATOM 0 HH21 ARG B 85 -1.951 0.101 5.822 1.00 13.73 H new ATOM 0 HH22 ARG B 85 -2.666 1.341 5.411 1.00 13.73 H new ATOM 1612 N GLU B 86 -0.634 1.616 13.233 1.00 13.36 N ATOM 1613 CA GLU B 86 -1.106 2.132 14.503 1.00 13.70 C ATOM 1614 C GLU B 86 -2.501 1.571 14.811 1.00 13.98 C ATOM 1615 O GLU B 86 -3.339 1.444 13.918 1.00 13.34 O ATOM 1616 CB GLU B 86 -1.120 3.661 14.456 1.00 14.25 C ATOM 1617 CG GLU B 86 -1.014 4.335 15.789 1.00 16.55 C ATOM 1618 CD GLU B 86 -1.178 5.841 15.690 1.00 18.53 C ATOM 1619 OE1 GLU B 86 -1.432 6.349 14.573 1.00 20.16 O ATOM 1620 OE2 GLU B 86 -1.071 6.505 16.735 1.00 18.68 O ATOM 0 H GLU B 86 -0.434 2.223 12.657 1.00 13.36 H new ATOM 0 HA GLU B 86 -0.509 1.852 15.214 1.00 13.70 H new ATOM 0 HB2 GLU B 86 -0.386 3.961 13.898 1.00 14.25 H new ATOM 0 HB3 GLU B 86 -1.940 3.951 14.026 1.00 14.25 H new ATOM 0 HG2 GLU B 86 -1.691 3.977 16.385 1.00 16.55 H new ATOM 0 HG3 GLU B 86 -0.152 4.131 16.184 1.00 16.55 H new ATOM 1621 N THR B 87 -2.731 1.217 16.071 1.00 14.78 N ATOM 1622 CA THR B 87 -4.030 0.707 16.505 1.00 15.67 C ATOM 1623 C THR B 87 -5.049 1.839 16.538 1.00 16.33 C ATOM 1624 O THR B 87 -4.685 3.017 16.513 1.00 16.54 O ATOM 1625 CB THR B 87 -3.948 0.036 17.897 1.00 15.47 C ATOM 1626 OG1 THR B 87 -3.713 1.031 18.897 1.00 16.51 O ATOM 1627 CG2 THR B 87 -2.823 -0.992 17.932 1.00 16.23 C ATOM 0 H THR B 87 -2.143 1.265 16.697 1.00 14.78 H new ATOM 0 HA THR B 87 -4.309 0.033 15.866 1.00 15.67 H new ATOM 0 HB THR B 87 -4.789 -0.414 18.073 1.00 15.47 H new ATOM 0 HG1 THR B 87 -3.643 0.662 19.648 1.00 16.51 H new ATOM 0 HG21 THR B 87 -2.786 -1.402 18.810 1.00 16.23 H new ATOM 0 HG22 THR B 87 -2.988 -1.675 17.263 1.00 16.23 H new ATOM 0 HG23 THR B 87 -1.978 -0.554 17.745 1.00 16.23 H new ATOM 1628 N GLY B 88 -6.329 1.484 16.591 1.00 17.00 N ATOM 1629 CA GLY B 88 -7.391 2.483 16.647 1.00 17.99 C ATOM 1630 C GLY B 88 -7.377 3.320 17.909 1.00 18.67 C ATOM 1631 O GLY B 88 -7.841 4.461 17.904 1.00 19.34 O ATOM 0 H GLY B 88 -6.604 0.669 16.596 1.00 17.00 H new ATOM 0 HA2 GLY B 88 -7.312 3.070 15.879 1.00 17.99 H new ATOM 0 HA3 GLY B 88 -8.249 2.035 16.575 1.00 17.99 H new ATOM 1632 N SER B 89 -6.829 2.753 18.982 1.00 19.14 N ATOM 1633 CA SER B 89 -6.826 3.385 20.298 1.00 19.76 C ATOM 1634 C SER B 89 -5.501 4.073 20.623 1.00 19.42 C ATOM 1635 O SER B 89 -5.383 4.740 21.653 1.00 19.59 O ATOM 1636 CB SER B 89 -7.163 2.350 21.380 1.00 19.87 C ATOM 1637 OG SER B 89 -6.134 1.376 21.492 1.00 21.79 O ATOM 0 H SER B 89 -6.445 1.984 18.965 1.00 19.14 H new ATOM 0 HA SER B 89 -7.506 4.077 20.281 1.00 19.76 H new ATOM 0 HB2 SER B 89 -7.284 2.796 22.233 1.00 19.87 H new ATOM 0 HB3 SER B 89 -8.003 1.915 21.165 1.00 19.87 H new ATOM 0 HG SER B 89 -5.566 1.632 22.055 1.00 21.79 H new ATOM 1638 N SER B 90 -4.513 3.918 19.744 1.00 19.29 N ATOM 1639 CA SER B 90 -3.188 4.499 19.955 1.00 19.17 C ATOM 1640 C SER B 90 -3.226 6.019 20.030 1.00 19.51 C ATOM 1641 O SER B 90 -3.820 6.683 19.179 1.00 19.79 O ATOM 1642 CB SER B 90 -2.225 4.060 18.854 1.00 18.91 C ATOM 1643 OG SER B 90 -0.989 4.750 18.952 1.00 17.88 O ATOM 0 H SER B 90 -4.591 3.475 19.011 1.00 19.29 H new ATOM 0 HA SER B 90 -2.873 4.170 20.811 1.00 19.17 H new ATOM 0 HB2 SER B 90 -2.071 3.104 18.917 1.00 18.91 H new ATOM 0 HB3 SER B 90 -2.624 4.227 17.986 1.00 18.91 H new ATOM 0 HG SER B 90 -0.943 5.330 18.346 1.00 17.88 H new ATOM 1644 N LYS B 91 -2.586 6.563 21.057 1.00 19.80 N ATOM 1645 CA LYS B 91 -2.536 7.999 21.239 1.00 20.53 C ATOM 1646 C LYS B 91 -1.148 8.432 21.694 1.00 20.41 C ATOM 1647 O LYS B 91 -0.674 7.999 22.746 1.00 20.75 O ATOM 1648 CB LYS B 91 -3.605 8.441 22.252 1.00 20.72 C ATOM 1649 CG LYS B 91 -4.185 9.832 22.009 1.00 22.42 C ATOM 1650 CD LYS B 91 -4.792 9.958 20.614 1.00 25.12 C ATOM 1651 CE LYS B 91 -5.842 11.060 20.558 1.00 26.66 C ATOM 1652 NZ LYS B 91 -6.313 11.292 19.159 1.00 27.39 N ATOM 0 H LYS B 91 -2.173 6.112 21.661 1.00 19.80 H new ATOM 0 HA LYS B 91 -2.721 8.428 20.389 1.00 20.53 H new ATOM 0 HB2 LYS B 91 -4.330 7.796 22.240 1.00 20.72 H new ATOM 0 HB3 LYS B 91 -3.219 8.417 23.141 1.00 20.72 H new ATOM 0 HG2 LYS B 91 -4.864 10.020 22.675 1.00 22.42 H new ATOM 0 HG3 LYS B 91 -3.488 10.497 22.119 1.00 22.42 H new ATOM 0 HD2 LYS B 91 -4.091 10.145 19.971 1.00 25.12 H new ATOM 0 HD3 LYS B 91 -5.194 9.113 20.358 1.00 25.12 H new ATOM 0 HE2 LYS B 91 -6.596 10.820 21.119 1.00 26.66 H new ATOM 0 HE3 LYS B 91 -5.471 11.881 20.917 1.00 26.66 H new ATOM 0 HZ1 LYS B 91 -6.924 11.939 19.155 1.00 27.39 H new ATOM 0 HZ2 LYS B 91 -5.624 11.532 18.650 1.00 27.39 H new ATOM 0 HZ3 LYS B 91 -6.672 10.543 18.838 1.00 27.39 H new ATOM 1653 N TYR B 92 -0.505 9.273 20.882 1.00 20.27 N ATOM 1654 CA TYR B 92 0.766 9.912 21.234 1.00 20.32 C ATOM 1655 C TYR B 92 0.660 10.543 22.628 1.00 20.63 C ATOM 1656 O TYR B 92 -0.351 11.172 22.923 1.00 20.54 O ATOM 1657 CB TYR B 92 1.112 10.984 20.191 1.00 20.34 C ATOM 1658 CG TYR B 92 2.415 11.707 20.447 1.00 20.11 C ATOM 1659 CD1 TYR B 92 3.624 11.189 19.983 1.00 20.01 C ATOM 1660 CD2 TYR B 92 2.440 12.905 21.164 1.00 20.40 C ATOM 1661 CE1 TYR B 92 4.827 11.844 20.221 1.00 19.60 C ATOM 1662 CE2 TYR B 92 3.638 13.570 21.410 1.00 19.60 C ATOM 1663 CZ TYR B 92 4.826 13.037 20.938 1.00 20.45 C ATOM 1664 OH TYR B 92 6.010 13.695 21.174 1.00 20.48 O ATOM 0 H TYR B 92 -0.797 9.491 20.103 1.00 20.27 H new ATOM 0 HA TYR B 92 1.470 9.245 21.245 1.00 20.32 H new ATOM 0 HB2 TYR B 92 1.153 10.567 19.316 1.00 20.34 H new ATOM 0 HB3 TYR B 92 0.394 11.635 20.162 1.00 20.34 H new ATOM 0 HD1 TYR B 92 3.625 10.391 19.506 1.00 20.01 H new ATOM 0 HD2 TYR B 92 1.643 13.264 21.482 1.00 20.40 H new ATOM 0 HE1 TYR B 92 5.626 11.488 19.904 1.00 19.60 H new ATOM 0 HE2 TYR B 92 3.641 14.367 21.888 1.00 19.60 H new ATOM 0 HH TYR B 92 6.628 13.324 20.742 1.00 20.48 H new ATOM 1665 N PRO B 93 1.705 10.406 23.476 1.00 20.82 N ATOM 1666 CA PRO B 93 3.038 9.837 23.244 1.00 21.34 C ATOM 1667 C PRO B 93 3.147 8.314 23.351 1.00 21.36 C ATOM 1668 O PRO B 93 4.216 7.762 23.081 1.00 21.89 O ATOM 1669 CB PRO B 93 3.900 10.499 24.339 1.00 21.24 C ATOM 1670 CG PRO B 93 2.967 11.360 25.152 1.00 21.18 C ATOM 1671 CD PRO B 93 1.584 10.899 24.859 1.00 21.05 C ATOM 0 HA PRO B 93 3.309 10.011 22.329 1.00 21.34 H new ATOM 0 HB2 PRO B 93 4.326 9.829 24.896 1.00 21.24 H new ATOM 0 HB3 PRO B 93 4.608 11.032 23.946 1.00 21.24 H new ATOM 0 HG2 PRO B 93 3.162 11.279 26.099 1.00 21.18 H new ATOM 0 HG3 PRO B 93 3.073 12.296 24.920 1.00 21.18 H new ATOM 0 HD2 PRO B 93 1.298 10.201 25.469 1.00 21.05 H new ATOM 0 HD3 PRO B 93 0.939 11.620 24.931 1.00 21.05 H new ATOM 1672 N ASN B 94 2.062 7.645 23.733 1.00 21.43 N ATOM 1673 CA ASN B 94 2.068 6.185 23.850 1.00 20.93 C ATOM 1674 C ASN B 94 1.650 5.488 22.559 1.00 20.45 C ATOM 1675 O ASN B 94 0.554 4.933 22.466 1.00 20.62 O ATOM 1676 CB ASN B 94 1.175 5.744 25.010 1.00 21.04 C ATOM 1677 CG ASN B 94 1.600 6.354 26.334 1.00 21.37 C ATOM 1678 OD1 ASN B 94 0.850 7.114 26.948 1.00 21.57 O ATOM 1679 ND2 ASN B 94 2.816 6.041 26.768 1.00 21.68 N ATOM 0 H ASN B 94 1.311 8.016 23.929 1.00 21.43 H new ATOM 0 HA ASN B 94 2.983 5.918 24.028 1.00 20.93 H new ATOM 0 HB2 ASN B 94 0.257 5.995 24.821 1.00 21.04 H new ATOM 0 HB3 ASN B 94 1.196 4.777 25.081 1.00 21.04 H new ATOM 0 HD21 ASN B 94 3.108 6.373 27.506 1.00 21.68 H new ATOM 0 HD22 ASN B 94 3.311 5.506 26.311 1.00 21.68 H new ATOM 1680 N CYS B 95 2.535 5.517 21.569 1.00 19.78 N ATOM 1681 CA CYS B 95 2.237 4.969 20.251 1.00 19.08 C ATOM 1682 C CYS B 95 2.168 3.442 20.251 1.00 19.13 C ATOM 1683 O CYS B 95 3.162 2.762 20.552 1.00 19.85 O ATOM 1684 CB CYS B 95 3.267 5.453 19.239 1.00 18.88 C ATOM 1685 SG CYS B 95 3.368 7.240 19.106 1.00 16.93 S ATOM 0 H CYS B 95 3.323 5.854 21.642 1.00 19.78 H new ATOM 0 HA CYS B 95 1.357 5.291 19.999 1.00 19.08 H new ATOM 0 HB2 CYS B 95 4.138 5.106 19.486 1.00 18.88 H new ATOM 0 HB3 CYS B 95 3.051 5.084 18.368 1.00 18.88 H new ATOM 1686 N ALA B 96 0.992 2.915 19.911 1.00 17.90 N ATOM 1687 CA ALA B 96 0.768 1.471 19.880 1.00 17.36 C ATOM 1688 C ALA B 96 0.493 0.999 18.463 1.00 16.75 C ATOM 1689 O ALA B 96 -0.258 1.628 17.722 1.00 16.46 O ATOM 1690 CB ALA B 96 -0.374 1.078 20.799 1.00 17.47 C ATOM 0 H ALA B 96 0.304 3.383 19.693 1.00 17.90 H new ATOM 0 HA ALA B 96 1.576 1.038 20.197 1.00 17.36 H new ATOM 0 HB1 ALA B 96 -0.504 0.117 20.762 1.00 17.47 H new ATOM 0 HB2 ALA B 96 -0.163 1.340 21.709 1.00 17.47 H new ATOM 0 HB3 ALA B 96 -1.187 1.525 20.515 1.00 17.47 H new ATOM 1691 N TYR B 97 1.103 -0.126 18.108 1.00 16.19 N ATOM 1692 CA TYR B 97 1.032 -0.658 16.758 1.00 15.63 C ATOM 1693 C TYR B 97 0.646 -2.120 16.754 1.00 15.94 C ATOM 1694 O TYR B 97 0.969 -2.863 17.682 1.00 16.25 O ATOM 1695 CB TYR B 97 2.384 -0.505 16.064 1.00 14.92 C ATOM 1696 CG TYR B 97 2.764 0.928 15.813 1.00 14.18 C ATOM 1697 CD1 TYR B 97 3.440 1.669 16.785 1.00 13.55 C ATOM 1698 CD2 TYR B 97 2.440 1.549 14.606 1.00 13.30 C ATOM 1699 CE1 TYR B 97 3.791 2.991 16.566 1.00 12.91 C ATOM 1700 CE2 TYR B 97 2.780 2.876 14.374 1.00 12.17 C ATOM 1701 CZ TYR B 97 3.454 3.593 15.363 1.00 12.21 C ATOM 1702 OH TYR B 97 3.797 4.904 15.154 1.00 12.29 O ATOM 0 H TYR B 97 1.572 -0.603 18.648 1.00 16.19 H new ATOM 0 HA TYR B 97 0.351 -0.156 16.284 1.00 15.63 H new ATOM 0 HB2 TYR B 97 3.069 -0.924 16.608 1.00 14.92 H new ATOM 0 HB3 TYR B 97 2.362 -0.980 15.219 1.00 14.92 H new ATOM 0 HD1 TYR B 97 3.659 1.267 17.595 1.00 13.55 H new ATOM 0 HD2 TYR B 97 1.991 1.068 13.949 1.00 13.30 H new ATOM 0 HE1 TYR B 97 4.248 3.470 17.219 1.00 12.91 H new ATOM 0 HE2 TYR B 97 2.560 3.283 13.567 1.00 12.17 H new ATOM 0 HH TYR B 97 3.562 5.136 14.382 1.00 12.29 H new ATOM 1703 N LYS B 98 -0.061 -2.514 15.704 1.00 16.31 N ATOM 1704 CA LYS B 98 -0.251 -3.912 15.385 1.00 16.93 C ATOM 1705 C LYS B 98 0.855 -4.339 14.426 1.00 16.64 C ATOM 1706 O LYS B 98 1.161 -3.650 13.442 1.00 16.04 O ATOM 1707 CB LYS B 98 -1.629 -4.156 14.766 1.00 17.24 C ATOM 1708 CG LYS B 98 -1.895 -5.604 14.318 1.00 19.14 C ATOM 1709 CD LYS B 98 -1.759 -6.605 15.467 1.00 20.49 C ATOM 1710 CE LYS B 98 -2.216 -8.011 15.066 1.00 20.97 C ATOM 1711 NZ LYS B 98 -1.456 -8.536 13.892 1.00 21.36 N ATOM 0 H LYS B 98 -0.444 -1.973 15.157 1.00 16.31 H new ATOM 0 HA LYS B 98 -0.207 -4.439 16.198 1.00 16.93 H new ATOM 0 HB2 LYS B 98 -2.308 -3.902 15.411 1.00 17.24 H new ATOM 0 HB3 LYS B 98 -1.732 -3.571 13.999 1.00 17.24 H new ATOM 0 HG2 LYS B 98 -2.788 -5.665 13.943 1.00 19.14 H new ATOM 0 HG3 LYS B 98 -1.274 -5.840 13.611 1.00 19.14 H new ATOM 0 HD2 LYS B 98 -0.834 -6.638 15.758 1.00 20.49 H new ATOM 0 HD3 LYS B 98 -2.283 -6.300 16.224 1.00 20.49 H new ATOM 0 HE2 LYS B 98 -2.103 -8.613 15.818 1.00 20.97 H new ATOM 0 HE3 LYS B 98 -3.163 -7.994 14.856 1.00 20.97 H new ATOM 0 HZ1 LYS B 98 -1.503 -9.425 13.881 1.00 21.36 H new ATOM 0 HZ2 LYS B 98 -1.807 -8.212 13.141 1.00 21.36 H new ATOM 0 HZ3 LYS B 98 -0.604 -8.285 13.953 1.00 21.36 H new ATOM 1712 N THR B 99 1.456 -5.479 14.749 1.00 16.77 N ATOM 1713 CA THR B 99 2.519 -6.080 13.956 1.00 16.44 C ATOM 1714 C THR B 99 1.932 -7.156 13.048 1.00 16.75 C ATOM 1715 O THR B 99 1.212 -8.039 13.507 1.00 16.55 O ATOM 1716 CB THR B 99 3.603 -6.693 14.884 1.00 16.53 C ATOM 1717 OG1 THR B 99 4.223 -5.655 15.645 1.00 16.65 O ATOM 1718 CG2 THR B 99 4.684 -7.417 14.081 1.00 15.66 C ATOM 0 H THR B 99 1.252 -5.933 15.450 1.00 16.77 H new ATOM 0 HA THR B 99 2.935 -5.394 13.410 1.00 16.44 H new ATOM 0 HB THR B 99 3.165 -7.333 15.467 1.00 16.53 H new ATOM 0 HG1 THR B 99 4.522 -5.066 15.125 1.00 16.65 H new ATOM 0 HG21 THR B 99 5.344 -7.788 14.687 1.00 15.66 H new ATOM 0 HG22 THR B 99 4.280 -8.133 13.566 1.00 15.66 H new ATOM 0 HG23 THR B 99 5.115 -6.790 13.479 1.00 15.66 H new ATOM 1719 N THR B 100 2.226 -7.070 11.752 1.00 16.83 N ATOM 1720 CA THR B 100 1.785 -8.094 10.808 1.00 17.02 C ATOM 1721 C THR B 100 2.932 -8.519 9.905 1.00 17.26 C ATOM 1722 O THR B 100 3.430 -7.725 9.106 1.00 16.92 O ATOM 1723 CB THR B 100 0.621 -7.614 9.937 1.00 16.97 C ATOM 1724 OG1 THR B 100 -0.454 -7.169 10.772 1.00 17.41 O ATOM 1725 CG2 THR B 100 0.120 -8.751 9.048 1.00 17.46 C ATOM 0 H THR B 100 2.678 -6.429 11.400 1.00 16.83 H new ATOM 0 HA THR B 100 1.481 -8.848 11.338 1.00 17.02 H new ATOM 0 HB THR B 100 0.932 -6.884 9.380 1.00 16.97 H new ATOM 0 HG1 THR B 100 -0.368 -6.348 10.926 1.00 17.41 H new ATOM 0 HG21 THR B 100 -0.616 -8.435 8.502 1.00 17.46 H new ATOM 0 HG22 THR B 100 0.841 -9.055 8.474 1.00 17.46 H new ATOM 0 HG23 THR B 100 -0.183 -9.487 9.603 1.00 17.46 H new ATOM 1726 N GLN B 101 3.332 -9.779 10.043 1.00 17.42 N ATOM 1727 CA GLN B 101 4.368 -10.370 9.213 1.00 18.48 C ATOM 1728 C GLN B 101 3.758 -10.817 7.891 1.00 17.88 C ATOM 1729 O GLN B 101 2.650 -11.368 7.859 1.00 17.80 O ATOM 1730 CB GLN B 101 4.989 -11.585 9.912 1.00 18.17 C ATOM 1731 CG GLN B 101 5.300 -11.385 11.396 1.00 20.78 C ATOM 1732 CD GLN B 101 5.889 -12.633 12.063 1.00 21.17 C ATOM 1733 OE1 GLN B 101 6.954 -12.569 12.679 1.00 26.04 O ATOM 1734 NE2 GLN B 101 5.200 -13.771 11.939 1.00 24.41 N ATOM 0 H GLN B 101 3.005 -10.318 10.628 1.00 17.42 H new ATOM 0 HA GLN B 101 5.059 -9.707 9.058 1.00 18.48 H new ATOM 0 HB2 GLN B 101 4.385 -12.338 9.820 1.00 18.17 H new ATOM 0 HB3 GLN B 101 5.810 -11.822 9.452 1.00 18.17 H new ATOM 0 HG2 GLN B 101 5.924 -10.649 11.493 1.00 20.78 H new ATOM 0 HG3 GLN B 101 4.487 -11.131 11.860 1.00 20.78 H new ATOM 0 HE21 GLN B 101 4.459 -13.780 11.502 1.00 24.41 H new ATOM 0 HE22 GLN B 101 5.497 -14.495 12.296 1.00 24.41 H new ATOM 1735 N ALA B 102 4.492 -10.597 6.806 1.00 17.41 N ATOM 1736 CA ALA B 102 4.052 -11.021 5.482 1.00 17.49 C ATOM 1737 C ALA B 102 5.241 -11.273 4.567 1.00 17.10 C ATOM 1738 O ALA B 102 6.353 -10.833 4.851 1.00 17.24 O ATOM 1739 CB ALA B 102 3.135 -9.972 4.870 1.00 17.66 C ATOM 0 H ALA B 102 5.255 -10.200 6.816 1.00 17.41 H new ATOM 0 HA ALA B 102 3.561 -11.852 5.580 1.00 17.49 H new ATOM 0 HB1 ALA B 102 2.849 -10.265 3.991 1.00 17.66 H new ATOM 0 HB2 ALA B 102 2.358 -9.850 5.438 1.00 17.66 H new ATOM 0 HB3 ALA B 102 3.612 -9.131 4.791 1.00 17.66 H new ATOM 1740 N ASN B 103 4.998 -12.006 3.481 1.00 16.74 N ATOM 1741 CA ASN B 103 5.982 -12.156 2.409 1.00 15.54 C ATOM 1742 C ASN B 103 5.404 -11.628 1.107 1.00 14.68 C ATOM 1743 O ASN B 103 4.499 -12.236 0.527 1.00 14.38 O ATOM 1744 CB ASN B 103 6.420 -13.610 2.274 1.00 16.50 C ATOM 1745 CG ASN B 103 7.266 -14.058 3.441 1.00 17.42 C ATOM 1746 OD1 ASN B 103 8.490 -13.978 3.389 1.00 20.39 O ATOM 1747 ND2 ASN B 103 6.621 -14.505 4.511 1.00 20.13 N ATOM 0 H ASN B 103 4.261 -12.429 3.345 1.00 16.74 H new ATOM 0 HA ASN B 103 6.771 -11.637 2.628 1.00 15.54 H new ATOM 0 HB2 ASN B 103 5.636 -14.178 2.207 1.00 16.50 H new ATOM 0 HB3 ASN B 103 6.921 -13.721 1.451 1.00 16.50 H new ATOM 0 HD21 ASN B 103 7.062 -14.753 5.206 1.00 20.13 H new ATOM 0 HD22 ASN B 103 5.762 -14.546 4.509 1.00 20.13 H new ATOM 1748 N LYS B 104 5.903 -10.469 0.676 1.00 13.10 N ATOM 1749 CA LYS B 104 5.323 -9.758 -0.466 1.00 13.41 C ATOM 1750 C LYS B 104 6.413 -9.125 -1.318 1.00 12.74 C ATOM 1751 O LYS B 104 7.550 -8.976 -0.867 1.00 11.98 O ATOM 1752 CB LYS B 104 4.398 -8.629 0.018 1.00 13.71 C ATOM 1753 CG LYS B 104 3.243 -9.045 0.911 1.00 15.81 C ATOM 1754 CD LYS B 104 2.780 -7.813 1.648 1.00 20.38 C ATOM 1755 CE LYS B 104 1.489 -7.996 2.399 1.00 23.58 C ATOM 1756 NZ LYS B 104 1.190 -6.757 3.190 1.00 23.59 N ATOM 0 H LYS B 104 6.580 -10.076 1.032 1.00 13.10 H new ATOM 0 HA LYS B 104 4.825 -10.407 -0.987 1.00 13.41 H new ATOM 0 HB2 LYS B 104 4.935 -7.979 0.497 1.00 13.71 H new ATOM 0 HB3 LYS B 104 4.035 -8.178 -0.760 1.00 13.71 H new ATOM 0 HG2 LYS B 104 2.520 -9.420 0.383 1.00 15.81 H new ATOM 0 HG3 LYS B 104 3.524 -9.732 1.536 1.00 15.81 H new ATOM 0 HD2 LYS B 104 3.471 -7.543 2.273 1.00 20.38 H new ATOM 0 HD3 LYS B 104 2.673 -7.088 1.012 1.00 20.38 H new ATOM 0 HE2 LYS B 104 0.766 -8.178 1.779 1.00 23.58 H new ATOM 0 HE3 LYS B 104 1.554 -8.762 2.991 1.00 23.58 H new ATOM 0 HZ1 LYS B 104 0.349 -6.785 3.480 1.00 23.59 H new ATOM 0 HZ2 LYS B 104 1.742 -6.709 3.886 1.00 23.59 H new ATOM 0 HZ3 LYS B 104 1.301 -6.041 2.673 1.00 23.59 H new ATOM 1757 N HIS B 105 6.064 -8.761 -2.554 1.00 12.64 N ATOM 1758 CA HIS B 105 6.973 -8.000 -3.399 1.00 12.41 C ATOM 1759 C HIS B 105 6.990 -6.578 -2.872 1.00 12.56 C ATOM 1760 O HIS B 105 5.958 -6.074 -2.419 1.00 13.71 O ATOM 1761 CB HIS B 105 6.522 -8.009 -4.859 1.00 12.69 C ATOM 1762 CG HIS B 105 6.339 -9.378 -5.433 1.00 12.21 C ATOM 1763 ND1 HIS B 105 7.326 -10.039 -6.137 1.00 12.62 N ATOM 1764 CD2 HIS B 105 5.273 -10.209 -5.412 1.00 12.38 C ATOM 1765 CE1 HIS B 105 6.874 -11.221 -6.518 1.00 12.84 C ATOM 1766 NE2 HIS B 105 5.633 -11.351 -6.089 1.00 13.60 N ATOM 0 H HIS B 105 5.307 -8.946 -2.917 1.00 12.64 H new ATOM 0 HA HIS B 105 7.857 -8.398 -3.372 1.00 12.41 H new ATOM 0 HB2 HIS B 105 5.685 -7.524 -4.932 1.00 12.69 H new ATOM 0 HB3 HIS B 105 7.175 -7.530 -5.392 1.00 12.69 H new ATOM 0 HD1 HIS B 105 8.112 -9.730 -6.302 1.00 12.62 H new ATOM 0 HD2 HIS B 105 4.450 -10.040 -5.014 1.00 12.38 H new ATOM 0 HE1 HIS B 105 7.350 -11.854 -7.006 1.00 12.84 H new ATOM 1767 N ILE B 106 8.157 -5.949 -2.883 1.00 11.79 N ATOM 1768 CA ILE B 106 8.243 -4.540 -2.491 1.00 11.79 C ATOM 1769 C ILE B 106 8.415 -3.678 -3.728 1.00 11.54 C ATOM 1770 O ILE B 106 8.922 -4.131 -4.750 1.00 11.75 O ATOM 1771 CB ILE B 106 9.369 -4.288 -1.441 1.00 11.78 C ATOM 1772 CG1 ILE B 106 10.763 -4.521 -2.056 1.00 12.60 C ATOM 1773 CG2 ILE B 106 9.164 -5.190 -0.217 1.00 11.36 C ATOM 1774 CD1 ILE B 106 11.898 -4.028 -1.162 1.00 12.88 C ATOM 0 H ILE B 106 8.904 -6.310 -3.110 1.00 11.79 H new ATOM 0 HA ILE B 106 7.414 -4.292 -2.053 1.00 11.79 H new ATOM 0 HB ILE B 106 9.319 -3.361 -1.159 1.00 11.78 H new ATOM 0 HG12 ILE B 106 10.881 -5.468 -2.228 1.00 12.60 H new ATOM 0 HG13 ILE B 106 10.813 -4.069 -2.913 1.00 12.60 H new ATOM 0 HG21 ILE B 106 9.869 -5.025 0.428 1.00 11.36 H new ATOM 0 HG22 ILE B 106 8.304 -4.996 0.188 1.00 11.36 H new ATOM 0 HG23 ILE B 106 9.189 -6.120 -0.492 1.00 11.36 H new ATOM 0 HD11 ILE B 106 12.749 -4.199 -1.595 1.00 12.88 H new ATOM 0 HD12 ILE B 106 11.799 -3.075 -1.009 1.00 12.88 H new ATOM 0 HD13 ILE B 106 11.868 -4.496 -0.313 1.00 12.88 H new ATOM 1775 N ILE B 107 7.951 -2.436 -3.633 1.00 11.72 N ATOM 1776 CA ILE B 107 8.137 -1.448 -4.676 1.00 11.82 C ATOM 1777 C ILE B 107 8.849 -0.256 -4.039 1.00 11.93 C ATOM 1778 O ILE B 107 8.365 0.308 -3.051 1.00 12.27 O ATOM 1779 CB ILE B 107 6.800 -1.008 -5.302 1.00 11.92 C ATOM 1780 CG1 ILE B 107 6.098 -2.239 -5.916 1.00 13.20 C ATOM 1781 CG2 ILE B 107 7.046 0.072 -6.360 1.00 11.46 C ATOM 1782 CD1 ILE B 107 4.682 -1.995 -6.347 1.00 15.95 C ATOM 0 H ILE B 107 7.515 -2.145 -2.951 1.00 11.72 H new ATOM 0 HA ILE B 107 8.661 -1.828 -5.398 1.00 11.82 H new ATOM 0 HB ILE B 107 6.225 -0.630 -4.619 1.00 11.92 H new ATOM 0 HG12 ILE B 107 6.610 -2.541 -6.682 1.00 13.20 H new ATOM 0 HG13 ILE B 107 6.107 -2.960 -5.267 1.00 13.20 H new ATOM 0 HG21 ILE B 107 6.200 0.343 -6.749 1.00 11.46 H new ATOM 0 HG22 ILE B 107 7.472 0.839 -5.947 1.00 11.46 H new ATOM 0 HG23 ILE B 107 7.622 -0.281 -7.056 1.00 11.46 H new ATOM 0 HD11 ILE B 107 4.312 -2.810 -6.720 1.00 15.95 H new ATOM 0 HD12 ILE B 107 4.153 -1.721 -5.581 1.00 15.95 H new ATOM 0 HD13 ILE B 107 4.664 -1.295 -7.019 1.00 15.95 H new ATOM 1783 N VAL B 108 10.011 0.093 -4.580 1.00 11.36 N ATOM 1784 CA VAL B 108 10.820 1.203 -4.049 1.00 11.55 C ATOM 1785 C VAL B 108 11.131 2.183 -5.158 1.00 12.01 C ATOM 1786 O VAL B 108 11.160 1.797 -6.334 1.00 12.69 O ATOM 1787 CB VAL B 108 12.163 0.692 -3.412 1.00 11.71 C ATOM 1788 CG1 VAL B 108 11.866 -0.203 -2.221 1.00 10.70 C ATOM 1789 CG2 VAL B 108 13.042 -0.056 -4.454 1.00 11.90 C ATOM 0 H VAL B 108 10.357 -0.300 -5.262 1.00 11.36 H new ATOM 0 HA VAL B 108 10.304 1.639 -3.353 1.00 11.55 H new ATOM 0 HB VAL B 108 12.666 1.465 -3.110 1.00 11.71 H new ATOM 0 HG11 VAL B 108 12.699 -0.514 -1.834 1.00 10.70 H new ATOM 0 HG12 VAL B 108 11.368 0.298 -1.556 1.00 10.70 H new ATOM 0 HG13 VAL B 108 11.341 -0.965 -2.512 1.00 10.70 H new ATOM 0 HG21 VAL B 108 13.861 -0.357 -4.030 1.00 11.90 H new ATOM 0 HG22 VAL B 108 12.556 -0.822 -4.798 1.00 11.90 H new ATOM 0 HG23 VAL B 108 13.259 0.544 -5.185 1.00 11.90 H new ATOM 1790 N ALA B 109 11.327 3.449 -4.793 1.00 11.64 N ATOM 1791 CA ALA B 109 11.831 4.435 -5.733 1.00 11.01 C ATOM 1792 C ALA B 109 13.342 4.481 -5.580 1.00 11.14 C ATOM 1793 O ALA B 109 13.847 4.444 -4.459 1.00 11.90 O ATOM 1794 CB ALA B 109 11.240 5.801 -5.449 1.00 11.05 C ATOM 0 H ALA B 109 11.173 3.753 -4.004 1.00 11.64 H new ATOM 0 HA ALA B 109 11.582 4.190 -6.638 1.00 11.01 H new ATOM 0 HB1 ALA B 109 11.589 6.444 -6.086 1.00 11.05 H new ATOM 0 HB2 ALA B 109 10.274 5.759 -5.528 1.00 11.05 H new ATOM 0 HB3 ALA B 109 11.478 6.076 -4.550 1.00 11.05 H new ATOM 1795 N CYS B 110 14.058 4.543 -6.695 1.00 11.26 N ATOM 1796 CA CYS B 110 15.532 4.575 -6.662 1.00 11.46 C ATOM 1797 C CYS B 110 16.065 5.835 -7.295 1.00 11.83 C ATOM 1798 O CYS B 110 15.493 6.337 -8.273 1.00 11.34 O ATOM 1799 CB CYS B 110 16.146 3.362 -7.357 1.00 12.57 C ATOM 1800 SG CYS B 110 15.563 1.816 -6.679 1.00 13.42 S ATOM 0 H CYS B 110 13.718 4.568 -7.485 1.00 11.26 H new ATOM 0 HA CYS B 110 15.786 4.554 -5.726 1.00 11.46 H new ATOM 0 HB2 CYS B 110 15.937 3.396 -8.304 1.00 12.57 H new ATOM 0 HB3 CYS B 110 17.112 3.402 -7.278 1.00 12.57 H new ATOM 1801 N GLU B 111 17.171 6.332 -6.745 1.00 12.59 N ATOM 1802 CA GLU B 111 17.727 7.587 -7.218 1.00 13.87 C ATOM 1803 C GLU B 111 19.165 7.725 -6.758 1.00 13.69 C ATOM 1804 O GLU B 111 19.561 7.143 -5.741 1.00 14.19 O ATOM 1805 CB GLU B 111 16.898 8.752 -6.666 1.00 13.56 C ATOM 1806 CG GLU B 111 17.149 10.076 -7.369 1.00 15.88 C ATOM 1807 CD GLU B 111 16.154 11.156 -6.980 1.00 17.16 C ATOM 1808 OE1 GLU B 111 15.444 11.016 -5.952 1.00 22.31 O ATOM 1809 OE2 GLU B 111 16.086 12.150 -7.716 1.00 23.45 O ATOM 0 H GLU B 111 17.607 5.960 -6.104 1.00 12.59 H new ATOM 0 HA GLU B 111 17.703 7.600 -8.188 1.00 13.87 H new ATOM 0 HB2 GLU B 111 15.957 8.531 -6.740 1.00 13.56 H new ATOM 0 HB3 GLU B 111 17.092 8.856 -5.721 1.00 13.56 H new ATOM 0 HG2 GLU B 111 18.046 10.381 -7.162 1.00 15.88 H new ATOM 0 HG3 GLU B 111 17.110 9.939 -8.328 1.00 15.88 H new ATOM 1810 N GLY B 112 19.935 8.490 -7.524 1.00 13.96 N ATOM 1811 CA GLY B 112 21.258 8.911 -7.102 1.00 14.10 C ATOM 1812 C GLY B 112 22.367 7.985 -7.528 1.00 13.87 C ATOM 1813 O GLY B 112 22.139 6.987 -8.195 1.00 13.33 O ATOM 0 H GLY B 112 19.703 8.777 -8.301 1.00 13.96 H new ATOM 0 HA2 GLY B 112 21.434 9.796 -7.459 1.00 14.10 H new ATOM 0 HA3 GLY B 112 21.269 8.988 -6.135 1.00 14.10 H new ATOM 1814 N ASN B 113 23.583 8.324 -7.114 1.00 14.00 N ATOM 1815 CA ASN B 113 24.749 7.520 -7.430 1.00 14.64 C ATOM 1816 C ASN B 113 25.514 7.301 -6.137 1.00 14.37 C ATOM 1817 O ASN B 113 26.108 8.246 -5.607 1.00 14.87 O ATOM 1818 CB ASN B 113 25.608 8.247 -8.463 1.00 15.14 C ATOM 1819 CG ASN B 113 26.813 7.435 -8.928 1.00 16.85 C ATOM 1820 OD1 ASN B 113 26.727 6.112 -8.860 1.00 22.96 O flip ATOM 1821 ND2 ASN B 113 27.802 8.016 -9.388 1.00 19.38 N flip ATOM 0 H ASN B 113 23.752 9.024 -6.644 1.00 14.00 H new ATOM 0 HA ASN B 113 24.495 6.664 -7.810 1.00 14.64 H new ATOM 0 HB2 ASN B 113 25.059 8.468 -9.232 1.00 15.14 H new ATOM 0 HB3 ASN B 113 25.917 9.085 -8.085 1.00 15.14 H new ATOM 0 HD21 ASN B 113 27.822 8.875 -9.416 1.00 19.38 H new ATOM 0 HD22 ASN B 113 28.471 7.561 -9.680 1.00 19.38 H new ATOM 1822 N PRO B 114 25.501 6.068 -5.611 1.00 13.90 N ATOM 1823 CA PRO B 114 24.943 4.841 -6.208 1.00 13.77 C ATOM 1824 C PRO B 114 23.429 4.890 -6.309 1.00 12.98 C ATOM 1825 O PRO B 114 22.777 5.607 -5.549 1.00 11.78 O ATOM 1826 CB PRO B 114 25.355 3.751 -5.210 1.00 13.78 C ATOM 1827 CG PRO B 114 25.491 4.453 -3.926 1.00 15.05 C ATOM 1828 CD PRO B 114 26.055 5.813 -4.270 1.00 14.34 C ATOM 0 HA PRO B 114 25.263 4.700 -7.113 1.00 13.77 H new ATOM 0 HB2 PRO B 114 24.687 3.049 -5.159 1.00 13.78 H new ATOM 0 HB3 PRO B 114 26.189 3.330 -5.472 1.00 13.78 H new ATOM 0 HG2 PRO B 114 24.634 4.533 -3.479 1.00 15.05 H new ATOM 0 HG3 PRO B 114 26.081 3.972 -3.325 1.00 15.05 H new ATOM 0 HD2 PRO B 114 25.778 6.489 -3.632 1.00 14.34 H new ATOM 0 HD3 PRO B 114 27.025 5.809 -4.276 1.00 14.34 H new ATOM 1829 N TYR B 115 22.875 4.097 -7.220 1.00 12.82 N ATOM 1830 CA TYR B 115 21.454 4.132 -7.517 1.00 12.84 C ATOM 1831 C TYR B 115 20.749 3.178 -6.566 1.00 13.44 C ATOM 1832 O TYR B 115 20.754 1.955 -6.761 1.00 14.29 O ATOM 1833 CB TYR B 115 21.277 3.723 -8.977 1.00 13.10 C ATOM 1834 CG TYR B 115 19.925 3.924 -9.577 1.00 11.72 C ATOM 1835 CD1 TYR B 115 19.415 5.208 -9.774 1.00 11.12 C ATOM 1836 CD2 TYR B 115 19.192 2.822 -10.049 1.00 12.45 C ATOM 1837 CE1 TYR B 115 18.188 5.388 -10.361 1.00 13.33 C ATOM 1838 CE2 TYR B 115 17.962 2.992 -10.641 1.00 10.46 C ATOM 1839 CZ TYR B 115 17.466 4.278 -10.794 1.00 12.69 C ATOM 1840 OH TYR B 115 16.254 4.481 -11.395 1.00 13.63 O ATOM 0 H TYR B 115 23.317 3.523 -7.683 1.00 12.82 H new ATOM 0 HA TYR B 115 21.071 5.015 -7.396 1.00 12.84 H new ATOM 0 HB2 TYR B 115 21.920 4.218 -9.509 1.00 13.10 H new ATOM 0 HB3 TYR B 115 21.506 2.784 -9.057 1.00 13.10 H new ATOM 0 HD1 TYR B 115 19.911 5.948 -9.505 1.00 11.12 H new ATOM 0 HD2 TYR B 115 19.543 1.966 -9.960 1.00 12.45 H new ATOM 0 HE1 TYR B 115 17.841 6.244 -10.469 1.00 13.33 H new ATOM 0 HE2 TYR B 115 17.472 2.258 -10.933 1.00 10.46 H new ATOM 0 HH TYR B 115 16.258 5.222 -11.791 1.00 13.63 H new ATOM 1841 N VAL B 116 20.189 3.750 -5.501 1.00 12.61 N ATOM 1842 CA VAL B 116 19.711 2.979 -4.351 1.00 12.57 C ATOM 1843 C VAL B 116 18.289 3.418 -3.994 1.00 12.16 C ATOM 1844 O VAL B 116 17.833 4.472 -4.462 1.00 11.70 O ATOM 1845 CB VAL B 116 20.645 3.188 -3.123 1.00 12.73 C ATOM 1846 CG1 VAL B 116 22.091 2.705 -3.412 1.00 14.53 C ATOM 1847 CG2 VAL B 116 20.673 4.650 -2.705 1.00 13.12 C ATOM 0 H VAL B 116 20.075 4.599 -5.424 1.00 12.61 H new ATOM 0 HA VAL B 116 19.714 2.038 -4.586 1.00 12.57 H new ATOM 0 HB VAL B 116 20.282 2.654 -2.399 1.00 12.73 H new ATOM 0 HG11 VAL B 116 22.644 2.850 -2.628 1.00 14.53 H new ATOM 0 HG12 VAL B 116 22.079 1.760 -3.629 1.00 14.53 H new ATOM 0 HG13 VAL B 116 22.455 3.203 -4.160 1.00 14.53 H new ATOM 0 HG21 VAL B 116 21.260 4.757 -1.940 1.00 13.12 H new ATOM 0 HG22 VAL B 116 21.000 5.191 -3.441 1.00 13.12 H new ATOM 0 HG23 VAL B 116 19.777 4.936 -2.467 1.00 13.12 H new ATOM 1848 N PRO B 117 17.577 2.613 -3.180 1.00 12.40 N ATOM 1849 CA PRO B 117 16.229 2.987 -2.731 1.00 11.94 C ATOM 1850 C PRO B 117 16.230 4.270 -1.905 1.00 12.29 C ATOM 1851 O PRO B 117 17.081 4.458 -1.028 1.00 11.82 O ATOM 1852 CB PRO B 117 15.795 1.799 -1.867 1.00 12.19 C ATOM 1853 CG PRO B 117 16.632 0.640 -2.344 1.00 11.18 C ATOM 1854 CD PRO B 117 17.977 1.285 -2.673 1.00 11.37 C ATOM 0 HA PRO B 117 15.636 3.164 -3.478 1.00 11.94 H new ATOM 0 HB2 PRO B 117 15.946 1.976 -0.925 1.00 12.19 H new ATOM 0 HB3 PRO B 117 14.848 1.615 -1.973 1.00 12.19 H new ATOM 0 HG2 PRO B 117 16.721 -0.042 -1.660 1.00 11.18 H new ATOM 0 HG3 PRO B 117 16.241 0.213 -3.122 1.00 11.18 H new ATOM 0 HD2 PRO B 117 18.546 1.353 -1.890 1.00 11.37 H new ATOM 0 HD3 PRO B 117 18.468 0.777 -3.338 1.00 11.37 H new ATOM 1855 N VAL B 118 15.286 5.148 -2.220 1.00 12.50 N ATOM 1856 CA VAL B 118 15.120 6.405 -1.495 1.00 12.80 C ATOM 1857 C VAL B 118 13.692 6.587 -0.972 1.00 13.28 C ATOM 1858 O VAL B 118 13.416 7.564 -0.290 1.00 13.61 O ATOM 1859 CB VAL B 118 15.540 7.658 -2.335 1.00 12.96 C ATOM 1860 CG1 VAL B 118 17.067 7.692 -2.568 1.00 12.44 C ATOM 1861 CG2 VAL B 118 14.786 7.733 -3.669 1.00 12.76 C ATOM 0 H VAL B 118 14.723 5.034 -2.860 1.00 12.50 H new ATOM 0 HA VAL B 118 15.723 6.341 -0.738 1.00 12.80 H new ATOM 0 HB VAL B 118 15.295 8.440 -1.816 1.00 12.96 H new ATOM 0 HG11 VAL B 118 17.298 8.477 -3.090 1.00 12.44 H new ATOM 0 HG12 VAL B 118 17.524 7.727 -1.713 1.00 12.44 H new ATOM 0 HG13 VAL B 118 17.339 6.894 -3.048 1.00 12.44 H new ATOM 0 HG21 VAL B 118 15.072 8.520 -4.159 1.00 12.76 H new ATOM 0 HG22 VAL B 118 14.976 6.939 -4.193 1.00 12.76 H new ATOM 0 HG23 VAL B 118 13.833 7.788 -3.499 1.00 12.76 H new ATOM 1862 N HIS B 119 12.795 5.664 -1.316 1.00 13.74 N ATOM 1863 CA HIS B 119 11.387 5.741 -0.901 1.00 13.85 C ATOM 1864 C HIS B 119 10.821 4.343 -0.949 1.00 13.67 C ATOM 1865 O HIS B 119 11.052 3.608 -1.909 1.00 14.09 O ATOM 1866 CB HIS B 119 10.561 6.624 -1.867 1.00 14.62 C ATOM 1867 CG AHIS B 119 9.096 6.687 -1.559 0.50 14.67 C ATOM 1868 CG BHIS B 119 10.983 8.059 -1.922 0.50 15.26 C ATOM 1869 ND1AHIS B 119 8.590 7.411 -0.503 0.50 15.53 N ATOM 1870 ND1BHIS B 119 11.487 8.796 -2.941 0.50 17.47 N flip ATOM 1871 CD2AHIS B 119 8.025 6.155 -2.197 0.50 15.15 C ATOM 1872 CD2BHIS B 119 10.859 8.921 -0.852 0.50 17.23 C flip ATOM 1873 CE1AHIS B 119 7.274 7.297 -0.483 0.50 14.20 C ATOM 1874 CE1BHIS B 119 11.679 10.070 -2.466 0.50 16.28 C flip ATOM 1875 NE2AHIS B 119 6.906 6.547 -1.504 0.50 14.26 N ATOM 1876 NE2BHIS B 119 11.293 10.119 -1.203 0.50 15.88 N flip ATOM 0 H HIS B 119 12.982 4.975 -1.796 1.00 13.74 H new ATOM 0 HA HIS B 119 11.341 6.128 -0.013 1.00 13.85 H new ATOM 0 HB2AHIS B 119 10.922 7.524 -1.851 0.50 14.62 H new ATOM 0 HB2BHIS B 119 10.620 6.248 -2.759 0.50 14.62 H new ATOM 0 HB3AHIS B 119 10.675 6.289 -2.770 0.50 14.62 H new ATOM 0 HB3BHIS B 119 9.628 6.584 -1.604 0.50 14.62 H new ATOM 0 HD2AHIS B 119 8.044 5.624 -2.960 0.50 17.23 H new ATOM 0 HD2BHIS B 119 10.523 8.695 -0.015 0.50 17.23 H new ATOM 0 HE1AHIS B 119 6.704 7.680 0.144 0.50 16.28 H new ATOM 0 HE1BHIS B 119 12.024 10.782 -2.954 0.50 16.28 H new ATOM 0 HE2AHIS B 119 6.096 6.337 -1.703 0.50 15.88 H new ATOM 0 HE2BHIS B 119 11.320 10.813 -0.696 0.50 15.88 H new ATOM 1877 N PHE B 120 10.061 3.989 0.076 1.00 12.99 N ATOM 1878 CA PHE B 120 9.258 2.781 0.025 1.00 12.66 C ATOM 1879 C PHE B 120 7.871 3.120 -0.522 1.00 12.34 C ATOM 1880 O PHE B 120 7.123 3.877 0.105 1.00 12.24 O ATOM 1881 CB PHE B 120 9.140 2.168 1.407 1.00 12.57 C ATOM 1882 CG PHE B 120 8.574 0.807 1.387 1.00 11.09 C ATOM 1883 CD1 PHE B 120 9.399 -0.288 1.195 1.00 12.79 C ATOM 1884 CD2 PHE B 120 7.204 0.611 1.538 1.00 12.67 C ATOM 1885 CE1 PHE B 120 8.881 -1.568 1.156 1.00 14.11 C ATOM 1886 CE2 PHE B 120 6.676 -0.660 1.481 1.00 14.32 C ATOM 1887 CZ PHE B 120 7.515 -1.754 1.300 1.00 14.30 C ATOM 0 H PHE B 120 9.997 4.434 0.809 1.00 12.99 H new ATOM 0 HA PHE B 120 9.686 2.136 -0.559 1.00 12.66 H new ATOM 0 HB2 PHE B 120 10.017 2.142 1.820 1.00 12.57 H new ATOM 0 HB3 PHE B 120 8.583 2.737 1.961 1.00 12.57 H new ATOM 0 HD1 PHE B 120 10.314 -0.160 1.091 1.00 12.79 H new ATOM 0 HD2 PHE B 120 6.644 1.340 1.678 1.00 12.67 H new ATOM 0 HE1 PHE B 120 9.444 -2.298 1.034 1.00 14.11 H new ATOM 0 HE2 PHE B 120 5.758 -0.786 1.564 1.00 14.32 H new ATOM 0 HZ PHE B 120 7.159 -2.613 1.275 1.00 14.30 H new ATOM 1888 N ASP B 121 7.523 2.582 -1.690 1.00 12.58 N ATOM 1889 CA ASP B 121 6.272 2.969 -2.343 1.00 12.84 C ATOM 1890 C ASP B 121 5.105 2.090 -1.910 1.00 13.22 C ATOM 1891 O ASP B 121 4.028 2.595 -1.578 1.00 14.15 O ATOM 1892 CB ASP B 121 6.423 2.983 -3.875 1.00 13.16 C ATOM 1893 CG ASP B 121 5.501 4.000 -4.552 1.00 15.41 C ATOM 1894 OD1 ASP B 121 5.534 5.193 -4.175 1.00 16.17 O ATOM 1895 OD2 ASP B 121 4.765 3.604 -5.477 1.00 18.72 O ATOM 0 H ASP B 121 7.990 1.999 -2.117 1.00 12.58 H new ATOM 0 HA ASP B 121 6.069 3.873 -2.055 1.00 12.84 H new ATOM 0 HB2 ASP B 121 7.344 3.185 -4.103 1.00 13.16 H new ATOM 0 HB3 ASP B 121 6.232 2.098 -4.223 1.00 13.16 H new ATOM 1896 N ALA B 122 5.325 0.785 -1.889 1.00 13.36 N ATOM 1897 CA ALA B 122 4.264 -0.155 -1.543 1.00 13.88 C ATOM 1898 C ALA B 122 4.808 -1.562 -1.418 1.00 14.57 C ATOM 1899 O ALA B 122 5.943 -1.838 -1.797 1.00 14.57 O ATOM 1900 CB ALA B 122 3.176 -0.113 -2.600 1.00 13.86 C ATOM 0 H ALA B 122 6.082 0.420 -2.072 1.00 13.36 H new ATOM 0 HA ALA B 122 3.892 0.105 -0.686 1.00 13.88 H new ATOM 0 HB1 ALA B 122 2.473 -0.739 -2.366 1.00 13.86 H new ATOM 0 HB2 ALA B 122 2.807 0.783 -2.650 1.00 13.86 H new ATOM 0 HB3 ALA B 122 3.551 -0.356 -3.461 1.00 13.86 H new ATOM 1901 N SER B 123 3.984 -2.450 -0.869 1.00 15.11 N ATOM 1902 CA SER B 123 4.221 -3.882 -1.013 1.00 16.15 C ATOM 1903 C SER B 123 3.005 -4.455 -1.710 1.00 16.56 C ATOM 1904 O SER B 123 1.874 -3.994 -1.480 1.00 16.68 O ATOM 1905 CB SER B 123 4.472 -4.552 0.336 1.00 16.06 C ATOM 1906 OG SER B 123 3.304 -4.525 1.142 1.00 18.78 O ATOM 0 H SER B 123 3.285 -2.245 -0.411 1.00 15.11 H new ATOM 0 HA SER B 123 5.022 -4.047 -1.535 1.00 16.15 H new ATOM 0 HB2 SER B 123 4.753 -5.470 0.198 1.00 16.06 H new ATOM 0 HB3 SER B 123 5.197 -4.100 0.796 1.00 16.06 H new ATOM 0 HG SER B 123 3.333 -3.861 1.656 1.00 18.78 H new ATOM 1907 N VAL B 124 3.238 -5.434 -2.577 1.00 16.90 N ATOM 1908 CA VAL B 124 2.164 -6.068 -3.329 1.00 17.81 C ATOM 1909 C VAL B 124 2.224 -7.587 -3.228 1.00 18.12 C ATOM 1910 O VAL B 124 3.292 -8.191 -3.087 1.00 18.15 O ATOM 1911 CB VAL B 124 2.119 -5.612 -4.817 1.00 17.67 C ATOM 1912 CG1 VAL B 124 1.894 -4.118 -4.894 1.00 18.64 C ATOM 1913 CG2 VAL B 124 3.395 -5.973 -5.544 1.00 19.00 C ATOM 1914 OXT VAL B 124 1.183 -8.244 -3.290 1.00 19.13 O ATOM 0 H VAL B 124 4.021 -5.748 -2.745 1.00 16.90 H new ATOM 0 HA VAL B 124 1.338 -5.771 -2.917 1.00 17.81 H new ATOM 0 HB VAL B 124 1.384 -6.075 -5.248 1.00 17.67 H new ATOM 0 HG11 VAL B 124 1.867 -3.842 -5.824 1.00 18.64 H new ATOM 0 HG12 VAL B 124 1.052 -3.895 -4.467 1.00 18.64 H new ATOM 0 HG13 VAL B 124 2.618 -3.658 -4.441 1.00 18.64 H new ATOM 0 HG21 VAL B 124 3.337 -5.677 -6.466 1.00 19.00 H new ATOM 0 HG22 VAL B 124 4.148 -5.539 -5.112 1.00 19.00 H new ATOM 0 HG23 VAL B 124 3.520 -6.935 -5.521 1.00 19.00 H new TER 1915 VAL B 124 HETATM 1916 O2 N3E A 998 34.804 -5.707 13.998 1.00 26.76 O HETATM 1917 C2 N3E A 998 35.611 -5.109 14.761 1.00 30.94 C HETATM 1918 N3 N3E A 998 35.917 -3.811 14.467 1.00 31.77 N HETATM 1919 C4 N3E A 998 36.780 -3.099 15.230 1.00 31.44 C HETATM 1920 O4 N3E A 998 37.032 -1.910 14.932 1.00 31.12 O HETATM 1921 C5 N3E A 998 37.368 -3.700 16.334 1.00 30.10 C HETATM 1922 C6 N3E A 998 37.040 -5.025 16.623 1.00 31.92 C HETATM 1923 N1 N3E A 998 36.179 -5.713 15.837 1.00 30.86 N HETATM 1924 C1' N3E A 998 35.845 -7.113 16.173 1.00 32.29 C HETATM 1925 O4' N3E A 998 35.566 -7.215 17.574 1.00 32.02 O HETATM 1926 C4' N3E A 998 36.058 -8.441 18.108 1.00 34.11 C HETATM 1927 C5' N3E A 998 36.728 -8.197 19.461 1.00 35.20 C HETATM 1928 O5' N3E A 998 37.682 -7.137 19.345 1.00 37.28 O HETATM 1929 C2' N3E A 998 36.938 -8.135 15.856 1.00 33.11 C HETATM 1930 O2' N3E A 998 38.193 -7.472 15.676 1.00 34.79 O HETATM 1931 C3' N3E A 998 37.030 -9.028 17.084 1.00 34.34 C HETATM 1932 N7 N3E A 998 36.602 -10.401 16.783 1.00 35.90 N HETATM 1933 C13 N3E A 998 36.246 -11.207 17.966 1.00 36.49 C HETATM 1934 C8 N3E A 998 36.626 -10.829 15.371 1.00 36.84 C HETATM 1935 C9 N3E A 998 36.734 -12.350 15.274 1.00 37.11 C HETATM 1936 C10 N3E A 998 35.852 -13.035 16.312 1.00 38.31 C HETATM 1937 C12 N3E A 998 36.387 -12.701 17.694 1.00 37.71 C HETATM 1938 C11 N3E A 998 35.765 -14.521 16.085 1.00 38.41 C HETATM 1939 O13 N3E A 998 36.407 -15.314 16.815 1.00 39.24 O HETATM 1940 O12 N3E A 998 35.017 -14.910 15.167 1.00 38.41 O HETATM 0 H5'2 N3E A 998 36.059 -7.970 20.126 1.00 35.20 H new HETATM 0 H5'1 N3E A 998 37.167 -9.007 19.765 1.00 35.20 H new HETATM 0 H132 N3E A 998 36.816 -10.958 18.711 1.00 36.49 H new HETATM 0 H131 N3E A 998 35.333 -11.010 18.229 1.00 36.49 H new HETATM 0 H122 N3E A 998 37.319 -12.962 17.759 1.00 37.71 H new HETATM 0 H121 N3E A 998 35.903 -13.206 18.366 1.00 37.71 H new HETATM 0 HN3 N3E A 998 35.554 -3.438 13.783 1.00 31.77 H new HETATM 0 H92 N3E A 998 36.475 -12.639 14.385 1.00 37.11 H new HETATM 0 H91 N3E A 998 37.657 -12.620 15.402 1.00 37.11 H new HETATM 0 H82 N3E A 998 35.821 -10.527 14.922 1.00 36.84 H new HETATM 0 H81 N3E A 998 37.376 -10.416 14.915 1.00 36.84 H new HETATM 0 H6 N3E A 998 37.434 -5.458 17.396 1.00 31.92 H new HETATM 0 H5' N3E A 998 37.436 -6.486 19.815 1.00 37.28 H new HETATM 0 H5 N3E A 998 37.993 -3.210 16.892 1.00 30.10 H new HETATM 0 H4' N3E A 998 35.337 -9.070 18.266 1.00 34.11 H new HETATM 0 H3' N3E A 998 37.946 -9.062 17.402 1.00 34.34 H new HETATM 0 H2' N3E A 998 36.735 -8.631 15.047 1.00 33.11 H new HETATM 0 H10 N3E A 998 34.944 -12.704 16.231 1.00 38.31 H new HETATM 0 H1' N3E A 998 35.080 -7.326 15.616 1.00 32.29 H new HETATM 0 H1 N3E A 998 38.325 -7.339 14.857 1.00 34.79 H new HETATM 1941 O2 N3E A 999 38.535 1.097 18.145 1.00 24.92 O HETATM 1942 C2 N3E A 999 39.394 1.840 17.608 1.00 25.27 C HETATM 1943 N3 N3E A 999 40.024 1.424 16.482 1.00 24.41 N HETATM 1944 C4 N3E A 999 40.967 2.199 15.886 1.00 26.27 C HETATM 1945 O4 N3E A 999 41.537 1.796 14.838 1.00 25.65 O HETATM 1946 C5 N3E A 999 41.277 3.443 16.444 1.00 25.29 C HETATM 1947 C6 N3E A 999 40.612 3.842 17.606 1.00 25.32 C HETATM 1948 N1 N3E A 999 39.684 3.030 18.168 1.00 25.19 N HETATM 1949 C1' N3E A 999 38.976 3.422 19.396 1.00 25.21 C HETATM 1950 O4' N3E A 999 39.137 4.812 19.701 1.00 25.22 O HETATM 1951 C4' N3E A 999 39.540 4.997 21.070 1.00 26.08 C HETATM 1952 C5' N3E A 999 40.923 5.647 21.145 1.00 28.38 C HETATM 1953 O5' N3E A 999 41.229 6.269 19.890 1.00 29.11 O HETATM 1954 C2' N3E A 999 39.454 2.624 20.617 1.00 25.07 C HETATM 1955 O2' N3E A 999 40.746 2.039 20.384 1.00 26.83 O HETATM 1956 C3' N3E A 999 39.561 3.625 21.754 1.00 25.08 C HETATM 1957 N7 N3E A 999 38.373 3.391 22.588 1.00 23.69 N HETATM 1958 C13 N3E A 999 38.623 2.569 23.787 1.00 24.03 C HETATM 1959 C8 N3E A 999 37.089 3.916 22.088 1.00 23.61 C HETATM 1960 C9 N3E A 999 35.973 3.853 23.118 1.00 23.54 C HETATM 1961 C10 N3E A 999 36.345 3.291 24.491 1.00 24.90 C HETATM 1962 C12 N3E A 999 37.302 2.113 24.406 1.00 24.49 C HETATM 1963 C11 N3E A 999 35.083 3.028 25.269 1.00 22.02 C HETATM 1964 O13 N3E A 999 34.777 1.894 25.738 1.00 19.18 O HETATM 1965 O12 N3E A 999 34.403 4.054 25.422 1.00 22.38 O HETATM 0 H5'2 N3E A 999 40.943 6.306 21.857 1.00 28.38 H new HETATM 0 H5'1 N3E A 999 41.594 4.979 21.358 1.00 28.38 H new HETATM 0 H132 N3E A 999 39.160 1.796 23.550 1.00 24.03 H new HETATM 0 H131 N3E A 999 39.132 3.080 24.436 1.00 24.03 H new HETATM 0 H122 N3E A 999 36.911 1.405 23.871 1.00 24.49 H new HETATM 0 H121 N3E A 999 37.458 1.747 25.291 1.00 24.49 H new HETATM 0 HN3 N3E A 999 39.824 0.660 16.141 1.00 24.41 H new HETATM 0 H92 N3E A 999 35.622 4.749 23.241 1.00 23.54 H new HETATM 0 H91 N3E A 999 35.253 3.314 22.754 1.00 23.54 H new HETATM 0 H82 N3E A 999 37.210 4.837 21.807 1.00 23.61 H new HETATM 0 H81 N3E A 999 36.825 3.412 21.302 1.00 23.61 H new HETATM 0 H6 N3E A 999 40.814 4.700 18.010 1.00 25.32 H new HETATM 0 H5' N3E A 999 40.577 6.737 19.643 1.00 29.11 H new HETATM 0 H5 N3E A 999 41.941 4.018 16.032 1.00 25.29 H new HETATM 0 H4' N3E A 999 38.913 5.586 21.519 1.00 26.08 H new HETATM 0 H3' N3E A 999 40.352 3.557 22.311 1.00 25.08 H new HETATM 0 H2' N3E A 999 38.838 1.901 20.813 1.00 25.07 H new HETATM 0 H10 N3E A 999 36.857 3.950 24.986 1.00 24.90 H new HETATM 0 H1' N3E A 999 38.042 3.232 19.217 1.00 25.21 H new HETATM 0 H1 N3E A 999 40.986 1.610 21.065 1.00 26.83 H new HETATM 1966 O HOH A1000 35.909 -12.171 33.070 1.00 49.31 O HETATM 1967 O HOH A1001 17.884 4.287 30.428 1.00 45.06 O HETATM 1968 O HOH A1002 19.291 12.479 18.463 1.00 48.22 O HETATM 1969 O HOH A1003 31.246 -7.586 10.283 1.00 13.18 O HETATM 1970 O HOH A1004 33.269 5.072 14.242 1.00 14.73 O HETATM 1971 O HOH A1005 32.336 7.143 11.095 1.00 14.91 O HETATM 1972 O HOH A1006 27.181 -8.599 22.307 1.00 18.01 O HETATM 1973 O HOH A1007 35.013 -3.070 22.769 1.00 19.70 O HETATM 1974 O HOH A1008 34.016 -5.562 23.860 1.00 26.42 O HETATM 1975 O HOH A1009 37.361 0.606 14.680 1.00 17.52 O HETATM 1976 O HOH A1010 37.852 -6.863 5.952 1.00 19.19 O HETATM 1977 O HOH A1011 20.306 5.334 8.215 1.00 18.98 O HETATM 1978 O HOH A1012 16.761 0.158 26.756 1.00 22.37 O HETATM 1979 O HOH A1013 40.635 1.964 26.701 1.00 25.78 O HETATM 1980 O HOH A1014 34.696 5.788 39.785 1.00 28.50 O HETATM 1981 O HOH A1015 17.301 -6.387 19.081 1.00 24.81 O HETATM 1982 O HOH A1016 39.235 7.863 19.058 1.00 26.58 O HETATM 1983 O HOH A1017 17.957 0.367 19.590 1.00 22.83 O HETATM 1984 O HOH A1018 29.172 9.764 13.558 1.00 24.06 O HETATM 1985 O HOH A1019 23.933 -5.634 31.672 1.00 27.00 O HETATM 1986 O HOH A1020 34.722 10.004 32.838 1.00 26.40 O HETATM 1987 O HOH A1021 25.309 -12.647 9.840 1.00 27.15 O HETATM 1988 O HOH A1022 27.162 -14.090 16.737 1.00 25.67 O HETATM 1989 O HOH A1023 18.775 3.854 18.768 1.00 29.66 O HETATM 1990 O HOH A1024 22.939 12.257 31.655 1.00 42.07 O HETATM 1991 O HOH A1025 30.260 1.952 6.716 1.00 30.78 O HETATM 1992 O HOH A1026 25.088 -10.177 22.297 1.00 27.74 O HETATM 1993 O HOH A1027 29.448 -11.822 29.233 1.00 28.18 O HETATM 1994 O HOH A1028 22.720 8.881 14.922 1.00 30.10 O HETATM 1995 O HOH A1029 39.626 5.697 24.315 1.00 30.42 O HETATM 1996 O HOH A1030 18.710 1.275 9.580 1.00 31.56 O HETATM 1997 O HOH A1031 51.819 0.177 38.516 1.00 33.11 O HETATM 1998 O HOH A1032 38.730 -7.807 29.126 1.00 36.94 O HETATM 1999 O HOH A1033 34.212 -8.092 22.383 1.00 32.59 O HETATM 2000 O HOH A1034 35.801 -5.652 10.063 1.00 23.43 O HETATM 2001 O HOH A1035 37.229 -4.433 20.874 1.00 36.44 O HETATM 2002 O HOH A1036 24.283 -0.803 37.668 1.00 39.17 O HETATM 2003 O HOH A1037 22.524 -5.157 9.841 1.00 27.71 O HETATM 2004 O HOH A1038 29.674 -12.405 16.917 1.00 26.71 O HETATM 2005 O HOH A1039 41.253 6.096 13.357 1.00 29.57 O HETATM 2006 O HOH A1040 35.266 9.235 19.240 1.00 24.53 O HETATM 2007 O HOH A1041 30.262 -3.998 6.505 1.00 23.56 O HETATM 2008 O HOH A1042 28.666 -15.649 15.137 1.00 28.65 O HETATM 2009 O HOH A1043 17.957 10.589 20.798 1.00 37.08 O HETATM 2010 O HOH A1044 41.220 -3.178 14.018 1.00 35.56 O HETATM 2011 O HOH A1045 34.157 7.813 22.374 1.00 25.31 O HETATM 2012 O HOH A1046 33.763 9.579 16.969 1.00 27.52 O HETATM 2013 O HOH A1047 21.436 -8.597 13.813 1.00 24.56 O HETATM 2014 O HOH A1048 24.870 5.327 6.740 1.00 27.84 O HETATM 2015 O HOH A1049 39.681 -1.340 16.005 1.00 29.31 O HETATM 2016 O HOH A1050 25.326 8.450 43.758 1.00 30.51 O HETATM 2017 O HOH A1051 30.614 -13.602 19.405 1.00 30.84 O HETATM 2018 O HOH A1052 26.583 -14.492 19.345 1.00 32.05 O HETATM 2019 O HOH A1053 48.539 1.988 35.889 1.00 34.57 O HETATM 2020 O HOH A1054 34.730 6.595 24.811 1.00 29.59 O HETATM 2021 O HOH A1055 32.706 9.299 46.258 1.00 35.72 O HETATM 2022 O HOH A1056 21.990 -12.042 12.160 1.00 34.05 O HETATM 2023 O HOH A1057 38.984 -0.209 39.612 1.00 35.53 O HETATM 2024 O HOH A1058 17.850 6.557 27.163 1.00 43.73 O HETATM 2025 O HOH A1059 26.555 -5.232 36.735 1.00 43.76 O HETATM 2026 O HOH A1060 53.324 2.269 40.253 1.00 38.47 O HETATM 2027 O HOH A1061 33.375 -11.167 16.486 1.00 33.57 O HETATM 2028 O HOH A1062 33.786 -14.996 19.434 1.00 37.24 O HETATM 2029 O HOH A1063 36.822 7.372 21.475 1.00 30.96 O HETATM 2030 O HOH A1064 22.043 9.973 8.687 1.00 26.61 O HETATM 2031 O HOH A1065 20.550 -5.983 14.927 1.00 29.05 O HETATM 2032 O HOH A1066 37.954 -5.422 11.603 1.00 50.94 O HETATM 2033 O HOH A1067 19.225 8.715 26.180 1.00 41.51 O HETATM 2034 O HOH A1068 16.881 -2.543 30.397 1.00 38.13 O HETATM 2035 O HOH A1069 21.621 -16.831 13.692 1.00 48.31 O HETATM 2036 O HOH A1070 22.436 -7.613 17.155 1.00 30.57 O HETATM 2037 O HOH A1071 41.601 3.984 25.202 1.00 35.62 O HETATM 2038 O HOH A1072 31.893 3.536 5.399 1.00 27.44 O HETATM 2039 O HOH A1073 25.117 -12.640 21.211 1.00 31.40 O HETATM 2040 O HOH A1074 37.012 -0.220 22.303 1.00 25.46 O HETATM 2041 O HOH A1075 24.773 13.901 27.988 1.00 38.95 O HETATM 2042 O HOH A1076 41.594 -0.190 25.555 1.00 46.90 O HETATM 2043 O HOH A1077 24.527 8.044 6.215 1.00 32.44 O HETATM 2044 O HOH A1078 39.251 -10.182 31.268 1.00 41.65 O HETATM 2045 O HOH A1079 40.507 7.170 15.792 1.00 31.98 O HETATM 2046 O HOH A1080 23.574 8.791 41.597 1.00 49.41 O HETATM 2047 O HOH A1081 33.169 -20.569 29.234 1.00 47.45 O HETATM 2048 O HOH A1082 30.271 10.602 28.741 1.00 52.52 O HETATM 2049 O HOH A1083 33.961 9.819 39.512 1.00 31.21 O HETATM 2050 O HOH A1084 48.327 -9.917 34.019 1.00 46.80 O HETATM 2051 O HOH A1085 27.005 14.429 22.307 1.00 32.16 O HETATM 2052 O HOH A1086 31.563 -13.562 29.606 1.00 35.27 O HETATM 2053 O HOH A1087 29.392 14.790 19.094 1.00 36.77 O HETATM 2054 O HOH A1088 33.558 10.134 23.494 1.00 40.11 O HETATM 2055 O HOH A1089 22.238 -0.733 8.750 1.00 28.54 O HETATM 2056 O HOH A1090 18.665 -8.940 19.287 1.00 36.23 O HETATM 2057 O HOH A1091 26.630 -13.202 25.544 1.00 52.58 O HETATM 2058 O HOH A1092 23.777 -1.295 6.591 1.00 32.13 O HETATM 2059 O HOH A1093 39.514 -6.541 37.479 1.00 36.61 O HETATM 2060 O HOH A1094 23.062 -18.970 12.961 1.00 55.27 O HETATM 2061 O HOH A1095 43.355 -2.143 12.228 1.00 40.46 O HETATM 2062 O HOH A1096 27.838 -15.589 22.441 1.00 34.59 O HETATM 2063 O HOH A1097 25.490 -0.296 4.661 1.00 35.58 O HETATM 2064 O HOH A1098 41.500 -7.926 27.640 1.00 47.86 O HETATM 2065 O HOH A1099 37.366 -5.597 45.390 1.00 43.45 O HETATM 2066 O HOH A1100 35.419 10.797 46.983 1.00 47.91 O HETATM 2067 O HOH A1101 23.740 13.475 22.841 1.00 39.16 O HETATM 2068 O HOH A1102 32.718 -4.462 3.327 1.00 32.95 O HETATM 2069 O HOH A1103 25.788 -14.235 23.361 1.00 34.84 O HETATM 2070 O HOH A1104 21.770 12.590 10.013 1.00 38.60 O HETATM 2071 O HOH A1105 39.499 -1.143 21.129 1.00 37.23 O HETATM 2072 O HOH A1106 31.006 2.009 3.371 1.00 47.93 O HETATM 2073 O HOH A1107 19.280 13.172 10.992 1.00 47.34 O HETATM 2074 O HOH A1108 37.697 7.854 41.643 1.00 38.66 O HETATM 2075 O HOH A1109 36.482 -1.102 24.748 1.00 39.92 O HETATM 2076 O HOH A1110 18.191 0.288 33.545 1.00 46.84 O HETATM 2077 O HOH A1111 29.323 -6.063 37.613 1.00 39.46 O HETATM 2078 O HOH A1112 17.798 2.315 23.629 1.00 35.02 O HETATM 2079 O HOH A1113 40.366 -5.698 29.603 1.00 47.45 O HETATM 2080 O HOH A1114 20.644 -9.661 17.552 1.00 40.79 O HETATM 2081 O HOH A1115 40.194 -4.260 5.286 1.00 39.33 O HETATM 2082 O HOH A1116 27.891 3.934 5.381 1.00 47.77 O HETATM 2083 O HOH A1117 30.982 -15.993 28.503 1.00 37.56 O HETATM 2084 O HOH A1118 38.174 0.979 43.851 1.00 48.30 O HETATM 2085 O HOH A1119 16.456 -4.381 14.999 1.00 35.12 O HETATM 2086 O HOH A1120 32.267 7.161 26.540 1.00 33.24 O HETATM 2087 O HOH A1121 22.347 -13.384 20.358 1.00 36.60 O HETATM 2088 O HOH A1122 38.347 7.253 23.707 1.00 43.35 O HETATM 2089 O HOH A1123 39.391 -6.716 13.483 1.00 32.53 O HETATM 2090 O HOH A1124 35.728 -2.998 12.369 1.00 30.15 O HETATM 2091 O HOH A1125 29.674 -0.281 3.561 1.00 51.18 O HETATM 2092 O HOH B 125 7.035 10.034 13.462 1.00 42.54 O HETATM 2093 O HOH B 126 15.732 -14.282 1.572 1.00 37.08 O HETATM 2094 O HOH B 127 8.851 9.465 -16.872 1.00 40.48 O HETATM 2095 O HOH B 128 8.959 10.735 -14.736 1.00 41.61 O HETATM 2096 O HOH B 129 -7.599 -0.497 18.844 1.00 43.96 O HETATM 2097 O HOH B 130 15.986 8.267 -10.202 1.00 14.38 O HETATM 2098 O HOH B 131 20.424 8.359 -3.275 1.00 16.69 O HETATM 2099 O HOH B 132 16.390 -8.556 -14.957 1.00 15.89 O HETATM 2100 O HOH B 133 5.930 2.279 4.821 1.00 18.95 O HETATM 2101 O HOH B 134 18.246 -7.306 -13.325 1.00 16.29 O HETATM 2102 O HOH B 135 13.518 -9.644 -5.654 1.00 20.03 O HETATM 2103 O HOH B 136 18.736 3.187 0.842 1.00 16.24 O HETATM 2104 O HOH B 137 23.084 7.548 -3.721 1.00 17.95 O HETATM 2105 O HOH B 138 16.955 -8.681 -4.750 1.00 18.50 O HETATM 2106 O HOH B 139 15.389 -10.746 -3.932 1.00 20.43 O HETATM 2107 O HOH B 140 21.268 2.397 0.764 1.00 21.00 O HETATM 2108 O HOH B 141 5.424 7.706 -5.163 1.00 20.91 O HETATM 2109 O HOH B 142 24.409 1.736 3.622 1.00 24.00 O HETATM 2110 O HOH B 143 9.688 5.887 2.243 1.00 21.63 O HETATM 2111 O HOH B 144 20.679 -2.619 -8.282 1.00 25.14 O HETATM 2112 O HOH B 145 18.775 -7.527 -9.140 1.00 21.02 O HETATM 2113 O HOH B 146 18.222 -11.141 1.991 1.00 23.28 O HETATM 2114 O HOH B 147 12.327 -6.223 -15.930 1.00 30.66 O HETATM 2115 O HOH B 148 12.274 6.347 3.405 1.00 19.01 O HETATM 2116 O HOH B 149 23.371 3.880 0.005 1.00 20.82 O HETATM 2117 O HOH B 150 9.733 9.161 -7.247 1.00 22.28 O HETATM 2118 O HOH B 151 22.923 -5.214 -4.379 1.00 21.93 O HETATM 2119 O HOH B 152 20.182 8.013 9.241 1.00 21.51 O HETATM 2120 O HOH B 153 -3.531 -1.772 13.520 1.00 20.81 O HETATM 2121 O HOH B 154 3.736 -2.785 3.065 1.00 32.03 O HETATM 2122 O HOH B 155 -0.249 -4.533 10.929 1.00 23.72 O HETATM 2123 O HOH B 156 21.770 -9.186 -3.902 1.00 30.04 O HETATM 2124 O HOH B 157 0.476 -1.269 -4.708 1.00 41.77 O HETATM 2125 O HOH B 158 7.921 -11.912 7.293 1.00 31.41 O HETATM 2126 O HOH B 159 15.485 -10.986 -1.037 1.00 25.71 O HETATM 2127 O HOH B 160 18.016 0.065 -13.020 1.00 27.52 O HETATM 2128 O HOH B 161 20.558 -3.991 -14.657 1.00 28.88 O HETATM 2129 O HOH B 162 23.808 -6.762 2.358 1.00 23.50 O HETATM 2130 O HOH B 163 4.194 -3.845 -9.138 1.00 35.52 O HETATM 2131 O HOH B 164 8.156 8.020 -5.118 1.00 27.73 O HETATM 2132 O HOH B 165 10.600 7.325 18.379 1.00 27.14 O HETATM 2133 O HOH B 166 14.023 8.292 2.106 1.00 23.46 O HETATM 2134 O HOH B 167 1.577 6.712 7.720 1.00 23.91 O HETATM 2135 O HOH B 168 -3.134 -3.784 11.632 1.00 27.66 O HETATM 2136 O HOH B 169 9.780 -13.933 1.090 1.00 29.29 O HETATM 2137 O HOH B 170 -0.535 10.195 14.052 1.00 36.34 O HETATM 2138 O HOH B 171 9.031 -2.636 -16.677 1.00 30.93 O HETATM 2139 O HOH B 172 8.272 -12.459 -10.369 1.00 27.05 O HETATM 2140 O HOH B 173 5.804 -1.994 -15.354 1.00 31.98 O HETATM 2141 O HOH B 174 1.509 -1.273 0.184 1.00 29.56 O HETATM 2142 O HOH B 175 3.732 -4.044 18.037 1.00 27.95 O HETATM 2143 O HOH B 176 0.863 -6.628 17.367 1.00 30.40 O HETATM 2144 O HOH B 177 13.559 -12.906 -1.079 1.00 30.55 O HETATM 2145 O HOH B 178 27.962 10.057 -5.461 1.00 27.85 O HETATM 2146 O HOH B 179 17.284 2.713 20.880 1.00 26.90 O HETATM 2147 O HOH B 180 20.556 9.625 -0.824 1.00 25.71 O HETATM 2148 O HOH B 181 25.427 2.237 -0.960 1.00 27.06 O HETATM 2149 O HOH B 182 23.799 7.700 2.581 1.00 28.16 O HETATM 2150 O HOH B 183 23.275 8.938 0.045 1.00 23.31 O HETATM 2151 O HOH B 184 16.663 -0.822 15.241 1.00 26.30 O HETATM 2152 O HOH B 185 11.806 -3.485 -16.158 1.00 22.29 O HETATM 2153 O HOH B 186 25.639 3.828 4.210 1.00 34.71 O HETATM 2154 O HOH B 187 23.050 -10.392 0.640 1.00 31.23 O HETATM 2155 O HOH B 188 14.649 -14.451 -3.036 1.00 30.26 O HETATM 2156 O HOH B 189 22.916 10.384 6.168 1.00 32.58 O HETATM 2157 O HOH B 190 0.367 10.846 16.764 1.00 29.49 O HETATM 2158 O HOH B 191 25.289 0.485 0.827 1.00 29.64 O HETATM 2159 O HOH B 192 9.515 15.252 -7.580 1.00 32.28 O HETATM 2160 O HOH B 193 -3.093 -7.870 9.521 1.00 37.33 O HETATM 2161 O HOH B 194 17.559 -4.313 -15.499 1.00 30.82 O HETATM 2162 O HOH B 195 23.962 6.263 -1.108 1.00 32.04 O HETATM 2163 O HOH B 196 25.506 0.611 -3.476 1.00 31.39 O HETATM 2164 O HOH B 197 9.832 -15.301 -4.743 1.00 35.77 O HETATM 2165 O HOH B 198 13.021 -5.020 -19.323 1.00 37.93 O HETATM 2166 O HOH B 199 22.499 3.757 7.486 1.00 32.26 O HETATM 2167 O HOH B 200 15.660 -2.509 -14.282 1.00 25.97 O HETATM 2168 O HOH B 201 6.999 6.087 2.384 1.00 43.97 O HETATM 2169 O HOH B 202 4.301 9.098 -3.325 1.00 34.80 O HETATM 2170 O HOH B 203 22.426 5.185 3.581 1.00 35.56 O HETATM 2171 O HOH B 204 19.008 -10.000 -5.651 1.00 29.06 O HETATM 2172 O HOH B 205 12.453 -14.005 1.973 1.00 30.82 O HETATM 2173 O HOH B 206 25.936 -5.027 1.366 1.00 36.75 O HETATM 2174 O HOH B 207 20.340 12.269 -0.293 1.00 33.09 O HETATM 2175 O HOH B 208 15.694 -13.177 -5.253 1.00 30.37 O HETATM 2176 O HOH B 209 8.312 6.481 4.654 1.00 34.65 O HETATM 2177 O HOH B 210 21.656 -6.224 -10.855 1.00 36.53 O HETATM 2178 O HOH B 211 2.007 14.868 18.150 1.00 35.57 O HETATM 2179 O HOH B 212 10.753 0.768 -18.337 1.00 42.25 O HETATM 2180 O HOH B 213 22.600 -4.816 -7.144 1.00 26.20 O HETATM 2181 O HOH B 214 13.812 13.059 -5.504 1.00 35.96 O HETATM 2182 O HOH B 215 1.701 2.843 -3.803 1.00 37.20 O HETATM 2183 O HOH B 216 -1.661 10.194 18.467 1.00 49.07 O HETATM 2184 O HOH B 217 6.325 8.751 21.635 1.00 38.24 O HETATM 2185 O HOH B 218 14.259 -1.469 -16.390 1.00 34.47 O HETATM 2186 O HOH B 219 -0.756 -1.587 7.310 1.00 38.47 O HETATM 2187 O HOH B 220 25.346 -2.847 0.160 1.00 36.50 O HETATM 2188 O HOH B 221 11.281 10.047 10.138 1.00 36.45 O HETATM 2189 O HOH B 222 -3.814 0.205 21.375 1.00 35.61 O HETATM 2190 O HOH B 223 3.978 6.530 1.904 1.00 38.37 O HETATM 2191 O HOH B 224 20.505 9.178 11.746 1.00 39.73 O HETATM 2192 O HOH B 225 20.981 -0.264 -5.497 1.00 28.56 O HETATM 2193 O HOH B 226 21.584 0.051 -8.772 1.00 32.90 O HETATM 2194 O HOH B 227 -0.147 10.536 -8.241 1.00 28.49 O HETATM 2195 O HOH B 228 23.924 10.816 -5.926 1.00 31.04 O HETATM 2196 O HOH B 229 14.566 -7.077 14.807 1.00 42.15 O HETATM 2197 O HOH B 230 20.028 -0.798 6.396 1.00 34.63 O HETATM 2198 O HOH B 231 23.486 -0.793 -5.338 1.00 32.70 O HETATM 2199 O HOH B 232 29.130 6.810 -6.192 1.00 41.65 O HETATM 2200 O HOH B 233 2.577 5.570 5.400 1.00 35.54 O HETATM 2201 O HOH B 234 23.902 -10.328 -2.201 1.00 40.76 O HETATM 2202 O HOH B 235 -10.576 4.212 17.221 1.00 35.14 O HETATM 2203 O HOH B 236 23.749 -7.693 -4.417 1.00 45.48 O HETATM 2204 O HOH B 237 14.663 3.202 21.495 1.00 36.40 O HETATM 2205 O HOH B 238 6.365 4.945 5.008 1.00 49.70 O HETATM 2206 O HOH B 239 7.336 -14.224 -7.386 1.00 40.49 O HETATM 2207 O HOH B 240 2.972 -10.830 -3.252 1.00 43.55 O HETATM 2208 O HOH B 241 19.422 10.557 -4.449 1.00 39.71 O HETATM 2209 O HOH B 242 -0.122 -2.421 -2.418 1.00 36.36 O HETATM 2210 O HOH B 243 22.219 11.980 -2.949 1.00 38.68 O HETATM 2211 O HOH B 244 8.769 10.076 -3.622 1.00 37.89 O HETATM 2212 O HOH B 245 -10.250 2.665 20.173 1.00 47.90 O HETATM 2213 O HOH B 246 24.184 -2.949 -3.750 1.00 29.51 O HETATM 2214 O HOH B 247 5.996 2.767 19.724 1.00 32.73 O HETATM 2215 O HOH B 248 24.783 2.014 -8.003 1.00 32.44 O HETATM 2216 O HOH B 249 4.543 1.295 3.710 1.00 33.99 O HETATM 2217 O HOH B 250 23.362 -3.182 -10.696 1.00 35.17 O HETATM 2218 O HOH B 251 8.382 -5.417 -17.297 1.00 38.46 O HETATM 2219 O HOH B 252 10.960 -3.921 -18.710 1.00 33.45 O HETATM 2220 O HOH B 253 -5.583 -13.220 19.159 1.00 47.02 O HETATM 2221 O HOH B 254 21.927 -12.983 1.753 1.00 45.55 O HETATM 2222 O HOH B 255 19.692 -9.267 -8.160 1.00 29.00 O HETATM 2223 O HOH B 256 -3.799 -5.081 17.664 1.00 47.21 O HETATM 2224 O HOH B 257 0.110 13.473 17.136 1.00 42.63 O HETATM 2225 O HOH B 258 -2.308 -8.982 11.660 1.00 46.92 O HETATM 2226 O HOH B 259 1.982 -11.628 11.851 1.00 40.53 O HETATM 2227 O HOH B 260 11.819 13.392 -1.377 1.00 52.46 O CONECT 194 642 CONECT 310 727 CONECT 446 842 CONECT 496 547 CONECT 547 496 CONECT 642 194 CONECT 727 310 CONECT 842 446 CONECT 1146 1600 CONECT 1262 1685 CONECT 1398 1800 CONECT 1450 1501 CONECT 1501 1450 CONECT 1600 1146 CONECT 1685 1262 CONECT 1800 1398 CONECT 1916 1917 CONECT 1917 1916 1918 1923 CONECT 1918 1917 1919 CONECT 1919 1918 1920 1921 CONECT 1920 1919 CONECT 1921 1919 1922 CONECT 1922 1921 1923 CONECT 1923 1917 1922 1924 CONECT 1924 1923 1925 1929 CONECT 1925 1924 1926 CONECT 1926 1925 1927 1931 CONECT 1927 1926 1928 CONECT 1928 1927 CONECT 1929 1924 1930 1931 CONECT 1930 1929 CONECT 1931 1926 1929 1932 CONECT 1932 1931 1933 1934 CONECT 1933 1932 1937 CONECT 1934 1932 1935 CONECT 1935 1934 1936 CONECT 1936 1935 1937 1938 CONECT 1937 1933 1936 CONECT 1938 1936 1939 1940 CONECT 1939 1938 CONECT 1940 1938 CONECT 1941 1942 CONECT 1942 1941 1943 1948 CONECT 1943 1942 1944 CONECT 1944 1943 1945 1946 CONECT 1945 1944 CONECT 1946 1944 1947 CONECT 1947 1946 1948 CONECT 1948 1942 1947 1949 CONECT 1949 1948 1950 1954 CONECT 1950 1949 1951 CONECT 1951 1950 1952 1956 CONECT 1952 1951 1953 CONECT 1953 1952 CONECT 1954 1949 1955 1956 CONECT 1955 1954 CONECT 1956 1951 1954 1957 CONECT 1957 1956 1958 1959 CONECT 1958 1957 1962 CONECT 1959 1957 1960 CONECT 1960 1959 1961 CONECT 1961 1960 1962 1963 CONECT 1962 1958 1961 CONECT 1963 1961 1964 1965 CONECT 1964 1963 CONECT 1965 1963 END