USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) HEADER RECEPTOR, TOXIN 06-MAR-02 1L4W TITLE NMR STRUCTURE OF AN ACHR-PEPTIDE (TORPEDO CALIFORNICA, TITLE 2 ALPHA-SUBUNIT RESIDUES 182-202) IN COMPLEX WITH ALPHA- TITLE 3 BUNGAROTOXIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LONG NEUROTOXIN 1, ALPHA-BTX, BGTX; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ACETYLCHOLINE RECEPTOR PROTEIN; COMPND 7 CHAIN: B; COMPND 8 FRAGMENT: ACETYLCHOLINE RECEPTOR PEPTIDE (RESIDUES 206- COMPND 9 226); COMPND 0 SYNONYM: ACHR; COMPND 1 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; SOURCE 3 ORGANISM_COMMON: MANY-BANDED KRAIT; SOURCE 4 ORGANISM_TAXID: 8616; SOURCE 5 STRAIN: BANDED KRAIT; SOURCE 6 SECRETION: VENOM; SOURCE 7 MOL_ID: 2; SOURCE 8 SYNTHETIC: YES; SOURCE 9 OTHER_DETAILS: SYNTHESIZED PEPTIDE KEYWDS PROTEIN-PROTEIN COMPLEX,INTERMOLECULAR BETA SHEET, KEYWDS 2 BUNGAROTOXIN, ACETYLCHOLINE RECEPTOR, RECEPTOR, TOXIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR A.O.SAMSON,T.SCHERF,E.RODRIGUEZ,M.EISENSTEIN,J.ANGLISTER REVDAT 3 24-FEB-09 1L4W 1 VERSN REVDAT 2 29-JUL-03 1L4W 1 JRNL REVDAT 1 17-JUL-02 1L4W 0 JRNL AUTH A.SAMSON,T.SCHERF,M.EISENSTEIN,J.CHILL,J.ANGLISTER JRNL TITL THE MECHANISM FOR ACETYLCHOLINE RECEPTOR JRNL TITL 2 INHIBITION BY ALPHA-NEUROTOXINS AND JRNL TITL 3 SPECIES-SPECIFIC RESISTANCE TO ALPHA-BUNGAROTOXIN JRNL TITL 4 REVEALED BY NMR. JRNL REF NEURON V. 35 319 2002 JRNL REFN ISSN 0896-6273 JRNL PMID 12160749 JRNL DOI 10.1016/S0896-6273(02)00773-0 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1L4W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-02. REMARK 100 THE RCSB ID CODE IS RCSB015648. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 4 REMARK 210 IONIC STRENGTH : 50 MM AC REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.8 MM ALPHA-BUNGAROTOXIN/ REMARK 210 ACHR-PEPTIDE, BUFFER,PH 4; 1.8 MM ALPHA-BUNGAROTOXIN/ACHR- REMARK 210 PEPTIDE, BUFFER,PH 4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HOHAHA, 2D NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX, DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3, AURELIA 2.8, CNS 1 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: MIXING TIMES OF 40, 70 AND 150 MS WERE MEASURED FOR THE REMARK 210 NOESY EXPERIMENT REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ALA A 31 N SER A 35 1.99 REMARK 500 O ALA A 7 N HIS B 186 2.02 REMARK 500 O ASP A 30 O GLY A 37 2.16 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 7 -46.53 -159.51 REMARK 500 THR A 8 -145.16 -76.14 REMARK 500 PRO A 18 -166.42 -71.40 REMARK 500 TRP A 28 -157.76 -135.36 REMARK 500 ALA A 31 -30.41 96.09 REMARK 500 SER A 34 -74.82 -92.60 REMARK 500 SER A 35 -52.13 -142.87 REMARK 500 ARG A 36 -90.71 -73.80 REMARK 500 CYS A 48 100.78 -39.83 REMARK 500 TYR A 54 28.97 175.79 REMARK 500 VAL A 57 115.35 -169.95 REMARK 500 ASP A 63 122.96 -38.87 REMARK 500 LYS A 64 56.12 30.77 REMARK 500 ASN A 66 60.50 -112.55 REMARK 500 ARG A 72 -52.11 176.61 REMARK 500 GLU B 181 -78.41 -96.86 REMARK 500 ARG B 182 118.52 61.55 REMARK 500 TRP B 184 -118.01 -122.54 REMARK 500 CYS B 192 -44.12 143.98 REMARK 500 ILE B 201 -56.16 -126.21 REMARK 500 GLU B 203 85.06 -170.13 REMARK 500 REMARK 500 REMARK: NULL DBREF 1L4W A 1 74 UNP P60615 NXL1A_BUNMU 1 74 DBREF 1L4W B 182 202 UNP P02711 ACHA_TORMA 206 226 SEQADV 1L4W GLU B 180 UNP P02711 INSERTION SEQADV 1L4W GLU B 181 UNP P02711 INSERTION SEQADV 1L4W GLU B 203 UNP P02711 INSERTION SEQADV 1L4W GLU B 204 UNP P02711 INSERTION SEQRES 1 A 74 ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA SEQRES 2 A 74 VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS SEQRES 3 A 74 MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL SEQRES 4 A 74 VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS SEQRES 5 A 74 PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS SEQRES 6 A 74 ASN PRO HIS PRO LYS GLN ARG PRO GLY SEQRES 1 B 25 GLU GLU ARG GLY TRP LYS HIS TRP VAL TYR TYR THR CYS SEQRES 2 B 25 CYS PRO ASP THR PRO TYR LEU ASP ILE THR GLU GLU SHEET 1 A 2 VAL A 2 THR A 6 0 SHEET 2 A 2 ILE A 11 THR A 15 -1 O SER A 12 N THR A 5 SHEET 1 B 5 GLU A 56 CYS A 60 0 SHEET 2 B 5 LEU A 22 ASP A 30 -1 N CYS A 23 O CYS A 60 SHEET 3 B 5 GLY A 37 ALA A 45 -1 O ALA A 45 N LEU A 22 SHEET 4 B 5 HIS B 186 THR B 191 -1 O THR B 191 N LYS A 38 SHEET 5 B 5 TYR B 198 ASP B 200 -1 O ASP B 200 N HIS B 186 SSBOND *** CYS A 3 CYS A 23 1555 1555 2.03 SSBOND *** CYS A 16 CYS A 44 1555 1555 2.03 SSBOND *** CYS A 29 CYS A 33 1555 1555 2.03 SSBOND *** CYS A 48 CYS A 59 1555 1555 2.03 SSBOND *** CYS A 60 CYS A 65 1555 1555 2.02 SSBOND *** CYS B 192 CYS B 193 1555 1555 2.05 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 180:sc= -0.29 USER MOD Set 1.2: A 12 SER OG : rot 180:sc= -3.97! USER MOD Single : A 1 ILE N :NH3+ -165:sc= -0.0783 (180deg=-0.44) USER MOD Single : A 4 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-7.5!) USER MOD Single : A 6 THR OG1 : rot 54:sc= 0.9 USER MOD Single : A 8 THR OG1 : rot -119:sc= -0.28! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.5! K(o=-2.5!,f=0.055) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -146:sc= -0.186 (180deg=-0.789) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -63:sc= 0.263 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0116) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 61 SER OG : rot 61:sc= 0.913 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.57! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -5.12! C(o=-5.1!,f=-18!) USER MOD Single : A 68 HIS : no HE2:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.94 K(o=-1.9,f=-0.46) USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : B 189 TYR OH : rot 72:sc= 0.877 USER MOD Single : B 190 TYR OH : rot 79:sc= 0.989 USER MOD Single : B 191 THR OG1 : rot -3:sc= -1.15! USER MOD Single : B 196 THR OG1 : rot 65:sc= 1.17 USER MOD Single : B 198 TYR OH : rot 76:sc= -2.71! USER MOD Single : B 202 THR OG1 : rot -34:sc= -0.0464 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.279 13.925 2.782 1.00 1.06 N ATOM 2 CA ILE A 1 -10.894 12.803 3.679 1.00 0.67 C ATOM 3 C ILE A 1 -9.395 12.559 3.645 1.00 0.62 C ATOM 4 O ILE A 1 -8.680 13.077 2.787 1.00 0.64 O ATOM 5 CB ILE A 1 -11.615 11.492 3.301 1.00 0.76 C ATOM 6 CG1 ILE A 1 -13.037 11.780 2.813 1.00 1.27 C ATOM 7 CG2 ILE A 1 -11.637 10.542 4.494 1.00 1.41 C ATOM 8 CD1 ILE A 1 -13.861 10.533 2.586 1.00 2.24 C ATOM 0 H1 ILE A 1 -12.245 14.235 3.009 1.00 1.06 H new ATOM 0 H2 ILE A 1 -10.620 14.718 2.916 1.00 1.06 H new ATOM 0 H3 ILE A 1 -11.242 13.607 1.793 1.00 1.06 H new ATOM 0 HA ILE A 1 -11.195 13.098 4.684 1.00 0.67 H new ATOM 0 HB ILE A 1 -11.068 11.016 2.487 1.00 0.76 H new ATOM 0 HG12 ILE A 1 -13.542 12.412 3.544 1.00 1.27 H new ATOM 0 HG13 ILE A 1 -12.986 12.346 1.883 1.00 1.27 H new ATOM 0 HG21 ILE A 1 -12.148 9.620 4.216 1.00 1.41 H new ATOM 0 HG22 ILE A 1 -10.615 10.313 4.796 1.00 1.41 H new ATOM 0 HG23 ILE A 1 -12.164 11.013 5.324 1.00 1.41 H new ATOM 0 HD11 ILE A 1 -14.857 10.813 2.241 1.00 2.24 H new ATOM 0 HD12 ILE A 1 -13.378 9.910 1.833 1.00 2.24 H new ATOM 0 HD13 ILE A 1 -13.943 9.976 3.520 1.00 2.24 H new ATOM 22 N VAL A 2 -8.938 11.755 4.588 1.00 0.61 N ATOM 23 CA VAL A 2 -7.533 11.410 4.701 1.00 0.62 C ATOM 24 C VAL A 2 -7.289 10.062 4.040 1.00 0.56 C ATOM 25 O VAL A 2 -8.238 9.319 3.787 1.00 0.77 O ATOM 26 CB VAL A 2 -7.121 11.336 6.186 1.00 0.70 C ATOM 27 CG1 VAL A 2 -5.680 10.866 6.333 1.00 0.78 C ATOM 28 CG2 VAL A 2 -7.317 12.686 6.858 1.00 0.81 C ATOM 0 H VAL A 2 -9.531 11.323 5.297 1.00 0.61 H new ATOM 0 HA VAL A 2 -6.938 12.177 4.205 1.00 0.62 H new ATOM 0 HB VAL A 2 -7.762 10.606 6.680 1.00 0.70 H new ATOM 0 HG11 VAL A 2 -5.417 10.823 7.390 1.00 0.78 H new ATOM 0 HG12 VAL A 2 -5.574 9.875 5.892 1.00 0.78 H new ATOM 0 HG13 VAL A 2 -5.016 11.563 5.822 1.00 0.78 H new ATOM 0 HG21 VAL A 2 -7.022 12.617 7.905 1.00 0.81 H new ATOM 0 HG22 VAL A 2 -6.704 13.435 6.356 1.00 0.81 H new ATOM 0 HG23 VAL A 2 -8.366 12.975 6.795 1.00 0.81 H new ATOM 38 N CYS A 3 -6.035 9.732 3.755 1.00 0.49 N ATOM 39 CA CYS A 3 -5.750 8.454 3.122 1.00 0.44 C ATOM 40 C CYS A 3 -4.280 8.070 3.205 1.00 0.49 C ATOM 41 O CYS A 3 -3.393 8.924 3.210 1.00 0.68 O ATOM 42 CB CYS A 3 -6.192 8.491 1.659 1.00 0.46 C ATOM 43 SG CYS A 3 -6.734 6.880 1.014 1.00 0.44 S ATOM 0 H CYS A 3 -5.220 10.315 3.946 1.00 0.49 H new ATOM 0 HA CYS A 3 -6.311 7.695 3.667 1.00 0.44 H new ATOM 0 HB2 CYS A 3 -7.007 9.207 1.554 1.00 0.46 H new ATOM 0 HB3 CYS A 3 -5.366 8.857 1.049 1.00 0.46 H new ATOM 48 N HIS A 4 -4.042 6.763 3.247 1.00 0.42 N ATOM 49 CA HIS A 4 -2.695 6.215 3.303 1.00 0.50 C ATOM 50 C HIS A 4 -2.255 5.780 1.916 1.00 0.60 C ATOM 51 O HIS A 4 -3.037 5.804 0.965 1.00 1.21 O ATOM 52 CB HIS A 4 -2.645 5.009 4.245 1.00 0.54 C ATOM 53 CG HIS A 4 -2.663 5.363 5.698 1.00 0.53 C ATOM 54 ND1 HIS A 4 -1.878 6.356 6.243 1.00 1.33 N ATOM 55 CD2 HIS A 4 -3.370 4.838 6.726 1.00 1.10 C ATOM 56 CE1 HIS A 4 -2.099 6.425 7.544 1.00 1.07 C ATOM 57 NE2 HIS A 4 -3.000 5.515 7.862 1.00 0.80 N ATOM 0 H HIS A 4 -4.778 6.056 3.243 1.00 0.42 H new ATOM 0 HA HIS A 4 -2.025 6.990 3.677 1.00 0.50 H new ATOM 0 HB2 HIS A 4 -3.494 4.360 4.031 1.00 0.54 H new ATOM 0 HB3 HIS A 4 -1.743 4.435 4.034 1.00 0.54 H new ATOM 0 HD2 HIS A 4 -4.091 4.036 6.664 1.00 1.10 H new ATOM 0 HE1 HIS A 4 -1.623 7.110 8.230 1.00 1.07 H new ATOM 0 HE2 HIS A 4 -3.363 5.342 8.800 1.00 0.80 H new ATOM 66 N THR A 5 -1.010 5.363 1.816 1.00 0.46 N ATOM 67 CA THR A 5 -0.457 4.893 0.560 1.00 0.47 C ATOM 68 C THR A 5 0.920 4.298 0.792 1.00 0.49 C ATOM 69 O THR A 5 1.552 4.547 1.815 1.00 0.71 O ATOM 70 CB THR A 5 -0.394 6.016 -0.479 1.00 0.58 C ATOM 71 OG1 THR A 5 0.494 5.678 -1.530 1.00 1.01 O ATOM 72 CG2 THR A 5 0.057 7.338 0.091 1.00 0.73 C ATOM 0 H THR A 5 -0.355 5.340 2.597 1.00 0.46 H new ATOM 0 HA THR A 5 -1.116 4.120 0.165 1.00 0.47 H new ATOM 0 HB THR A 5 -1.416 6.127 -0.842 1.00 0.58 H new ATOM 0 HG1 THR A 5 0.519 6.407 -2.184 1.00 1.01 H new ATOM 0 HG21 THR A 5 0.078 8.087 -0.700 1.00 0.73 H new ATOM 0 HG22 THR A 5 -0.636 7.654 0.871 1.00 0.73 H new ATOM 0 HG23 THR A 5 1.055 7.230 0.515 1.00 0.73 H new ATOM 80 N THR A 6 1.369 3.503 -0.157 1.00 0.50 N ATOM 81 CA THR A 6 2.640 2.857 -0.082 1.00 0.53 C ATOM 82 C THR A 6 3.495 3.308 -1.239 1.00 0.85 C ATOM 83 O THR A 6 3.336 2.817 -2.357 1.00 1.45 O ATOM 84 CB THR A 6 2.409 1.369 -0.153 1.00 0.73 C ATOM 85 OG1 THR A 6 1.801 1.008 -1.381 1.00 1.29 O ATOM 86 CG2 THR A 6 1.526 0.886 0.963 1.00 1.02 C ATOM 0 H THR A 6 0.847 3.292 -1.007 1.00 0.50 H new ATOM 0 HA THR A 6 3.151 3.109 0.847 1.00 0.53 H new ATOM 0 HB THR A 6 3.390 0.902 -0.066 1.00 0.73 H new ATOM 0 HG1 THR A 6 2.335 1.357 -2.125 1.00 1.29 H new ATOM 0 HG21 THR A 6 1.385 -0.191 0.875 1.00 1.02 H new ATOM 0 HG22 THR A 6 1.993 1.114 1.921 1.00 1.02 H new ATOM 0 HG23 THR A 6 0.559 1.385 0.903 1.00 1.02 H new ATOM 94 N ALA A 7 4.383 4.262 -0.998 1.00 0.62 N ATOM 95 CA ALA A 7 5.207 4.752 -2.088 1.00 0.97 C ATOM 96 C ALA A 7 6.509 5.468 -1.667 1.00 0.72 C ATOM 97 O ALA A 7 7.560 5.208 -2.237 1.00 1.00 O ATOM 98 CB ALA A 7 4.344 5.647 -2.951 1.00 1.51 C ATOM 0 H ALA A 7 4.547 4.698 -0.091 1.00 0.62 H new ATOM 0 HA ALA A 7 5.565 3.882 -2.638 1.00 0.97 H new ATOM 0 HB1 ALA A 7 4.936 6.032 -3.781 1.00 1.51 H new ATOM 0 HB2 ALA A 7 3.502 5.075 -3.340 1.00 1.51 H new ATOM 0 HB3 ALA A 7 3.972 6.479 -2.354 1.00 1.51 H new ATOM 104 N THR A 8 6.460 6.378 -0.705 1.00 0.61 N ATOM 105 CA THR A 8 7.684 7.113 -0.320 1.00 0.77 C ATOM 106 C THR A 8 8.641 6.269 0.532 1.00 0.70 C ATOM 107 O THR A 8 8.757 5.064 0.316 1.00 0.83 O ATOM 108 CB THR A 8 7.323 8.436 0.362 1.00 1.16 C ATOM 109 OG1 THR A 8 8.465 9.049 0.933 1.00 1.54 O ATOM 110 CG2 THR A 8 6.281 8.298 1.448 1.00 1.44 C ATOM 0 H THR A 8 5.620 6.629 -0.183 1.00 0.61 H new ATOM 0 HA THR A 8 8.228 7.340 -1.237 1.00 0.77 H new ATOM 0 HB THR A 8 6.907 9.052 -0.436 1.00 1.16 H new ATOM 0 HG1 THR A 8 8.339 9.138 1.901 1.00 1.54 H new ATOM 0 HG21 THR A 8 6.078 9.276 1.884 1.00 1.44 H new ATOM 0 HG22 THR A 8 5.363 7.893 1.022 1.00 1.44 H new ATOM 0 HG23 THR A 8 6.649 7.625 2.222 1.00 1.44 H new ATOM 118 N SER A 9 9.342 6.891 1.489 1.00 0.62 N ATOM 119 CA SER A 9 10.274 6.152 2.327 1.00 0.60 C ATOM 120 C SER A 9 9.478 5.201 3.196 1.00 0.54 C ATOM 121 O SER A 9 9.546 3.998 3.003 1.00 0.56 O ATOM 122 CB SER A 9 11.145 7.093 3.166 1.00 0.68 C ATOM 123 OG SER A 9 12.343 7.420 2.483 1.00 0.99 O ATOM 0 H SER A 9 9.279 7.888 1.695 1.00 0.62 H new ATOM 0 HA SER A 9 10.961 5.584 1.700 1.00 0.60 H new ATOM 0 HB2 SER A 9 10.590 8.004 3.391 1.00 0.68 H new ATOM 0 HB3 SER A 9 11.383 6.621 4.119 1.00 0.68 H new ATOM 0 HG SER A 9 12.881 8.023 3.037 1.00 0.99 H new ATOM 129 N PRO A 10 8.640 5.712 4.108 1.00 0.52 N ATOM 130 CA PRO A 10 7.777 4.896 4.912 1.00 0.50 C ATOM 131 C PRO A 10 6.398 4.915 4.276 1.00 0.45 C ATOM 132 O PRO A 10 6.251 5.369 3.141 1.00 0.45 O ATOM 133 CB PRO A 10 7.776 5.649 6.239 1.00 0.58 C ATOM 134 CG PRO A 10 7.971 7.090 5.862 1.00 0.61 C ATOM 135 CD PRO A 10 8.375 7.122 4.401 1.00 0.58 C ATOM 0 HA PRO A 10 8.075 3.853 5.018 1.00 0.50 H new ATOM 0 HB2 PRO A 10 6.838 5.504 6.776 1.00 0.58 H new ATOM 0 HB3 PRO A 10 8.575 5.299 6.893 1.00 0.58 H new ATOM 0 HG2 PRO A 10 7.053 7.656 6.020 1.00 0.61 H new ATOM 0 HG3 PRO A 10 8.740 7.549 6.484 1.00 0.61 H new ATOM 0 HD2 PRO A 10 7.582 7.524 3.771 1.00 0.58 H new ATOM 0 HD3 PRO A 10 9.257 7.742 4.238 1.00 0.58 H new ATOM 143 N ILE A 11 5.388 4.478 4.992 1.00 0.48 N ATOM 144 CA ILE A 11 4.038 4.522 4.449 1.00 0.45 C ATOM 145 C ILE A 11 3.643 5.983 4.226 1.00 0.46 C ATOM 146 O ILE A 11 3.921 6.837 5.069 1.00 0.54 O ATOM 147 CB ILE A 11 3.014 3.838 5.381 1.00 0.47 C ATOM 148 CG1 ILE A 11 3.516 2.455 5.807 1.00 0.70 C ATOM 149 CG2 ILE A 11 1.661 3.726 4.693 1.00 0.69 C ATOM 150 CD1 ILE A 11 3.574 2.270 7.308 1.00 1.42 C ATOM 0 H ILE A 11 5.465 4.094 5.934 1.00 0.48 H new ATOM 0 HA ILE A 11 4.031 3.975 3.506 1.00 0.45 H new ATOM 0 HB ILE A 11 2.897 4.451 6.274 1.00 0.47 H new ATOM 0 HG12 ILE A 11 2.864 1.693 5.380 1.00 0.70 H new ATOM 0 HG13 ILE A 11 4.510 2.294 5.390 1.00 0.70 H new ATOM 0 HG21 ILE A 11 0.951 3.242 5.363 1.00 0.69 H new ATOM 0 HG22 ILE A 11 1.299 4.722 4.439 1.00 0.69 H new ATOM 0 HG23 ILE A 11 1.763 3.134 3.784 1.00 0.69 H new ATOM 0 HD11 ILE A 11 3.938 1.269 7.537 1.00 1.42 H new ATOM 0 HD12 ILE A 11 4.249 3.009 7.740 1.00 1.42 H new ATOM 0 HD13 ILE A 11 2.577 2.399 7.729 1.00 1.42 H new ATOM 162 N SER A 12 3.021 6.281 3.088 1.00 0.48 N ATOM 163 CA SER A 12 2.631 7.649 2.774 1.00 0.55 C ATOM 164 C SER A 12 1.178 7.891 3.170 1.00 0.55 C ATOM 165 O SER A 12 0.372 6.962 3.203 1.00 0.80 O ATOM 166 CB SER A 12 2.822 7.908 1.271 1.00 0.70 C ATOM 167 OG SER A 12 2.648 6.715 0.526 1.00 0.98 O ATOM 0 H SER A 12 2.778 5.596 2.372 1.00 0.48 H new ATOM 0 HA SER A 12 3.261 8.336 3.339 1.00 0.55 H new ATOM 0 HB2 SER A 12 2.108 8.659 0.934 1.00 0.70 H new ATOM 0 HB3 SER A 12 3.818 8.312 1.091 1.00 0.70 H new ATOM 0 HG SER A 12 2.772 6.904 -0.428 1.00 0.98 H new ATOM 173 N ALA A 13 0.850 9.139 3.491 1.00 0.53 N ATOM 174 CA ALA A 13 -0.506 9.484 3.900 1.00 0.55 C ATOM 175 C ALA A 13 -0.867 10.909 3.498 1.00 0.62 C ATOM 176 O ALA A 13 -0.256 11.871 3.965 1.00 0.79 O ATOM 177 CB ALA A 13 -0.662 9.306 5.403 1.00 0.65 C ATOM 0 H ALA A 13 1.501 9.924 3.476 1.00 0.53 H new ATOM 0 HA ALA A 13 -1.191 8.810 3.386 1.00 0.55 H new ATOM 0 HB1 ALA A 13 -1.679 9.567 5.697 1.00 0.65 H new ATOM 0 HB2 ALA A 13 -0.462 8.268 5.669 1.00 0.65 H new ATOM 0 HB3 ALA A 13 0.043 9.956 5.921 1.00 0.65 H new ATOM 183 N VAL A 14 -1.866 11.036 2.631 1.00 0.60 N ATOM 184 CA VAL A 14 -2.314 12.342 2.169 1.00 0.69 C ATOM 185 C VAL A 14 -3.834 12.393 2.051 1.00 0.59 C ATOM 186 O VAL A 14 -4.503 11.359 2.052 1.00 0.62 O ATOM 187 CB VAL A 14 -1.694 12.699 0.805 1.00 0.85 C ATOM 188 CG1 VAL A 14 -0.203 12.960 0.947 1.00 1.24 C ATOM 189 CG2 VAL A 14 -1.956 11.593 -0.207 1.00 1.10 C ATOM 0 H VAL A 14 -2.380 10.249 2.235 1.00 0.60 H new ATOM 0 HA VAL A 14 -1.985 13.069 2.912 1.00 0.69 H new ATOM 0 HB VAL A 14 -2.165 13.612 0.441 1.00 0.85 H new ATOM 0 HG11 VAL A 14 0.217 13.211 -0.027 1.00 1.24 H new ATOM 0 HG12 VAL A 14 -0.043 13.790 1.635 1.00 1.24 H new ATOM 0 HG13 VAL A 14 0.287 12.067 1.335 1.00 1.24 H new ATOM 0 HG21 VAL A 14 -1.511 11.863 -1.165 1.00 1.10 H new ATOM 0 HG22 VAL A 14 -1.515 10.662 0.149 1.00 1.10 H new ATOM 0 HG23 VAL A 14 -3.031 11.461 -0.331 1.00 1.10 H new ATOM 199 N THR A 15 -4.370 13.603 1.940 1.00 0.58 N ATOM 200 CA THR A 15 -5.810 13.796 1.809 1.00 0.53 C ATOM 201 C THR A 15 -6.187 13.929 0.336 1.00 0.58 C ATOM 202 O THR A 15 -5.466 14.554 -0.439 1.00 0.79 O ATOM 203 CB THR A 15 -6.248 15.039 2.595 1.00 0.62 C ATOM 204 OG1 THR A 15 -6.224 14.782 3.987 1.00 1.43 O ATOM 205 CG2 THR A 15 -7.640 15.529 2.248 1.00 1.50 C ATOM 0 H THR A 15 -3.828 14.467 1.938 1.00 0.58 H new ATOM 0 HA THR A 15 -6.326 12.928 2.221 1.00 0.53 H new ATOM 0 HB THR A 15 -5.534 15.814 2.314 1.00 0.62 H new ATOM 0 HG1 THR A 15 -6.505 15.585 4.473 1.00 1.43 H new ATOM 0 HG21 THR A 15 -7.875 16.410 2.846 1.00 1.50 H new ATOM 0 HG22 THR A 15 -7.682 15.787 1.190 1.00 1.50 H new ATOM 0 HG23 THR A 15 -8.365 14.743 2.459 1.00 1.50 H new ATOM 213 N CYS A 16 -7.314 13.333 -0.043 1.00 0.53 N ATOM 214 CA CYS A 16 -7.780 13.383 -1.429 1.00 0.66 C ATOM 215 C CYS A 16 -8.698 14.590 -1.654 1.00 0.70 C ATOM 216 O CYS A 16 -9.838 14.604 -1.189 1.00 0.84 O ATOM 217 CB CYS A 16 -8.507 12.082 -1.789 1.00 0.77 C ATOM 218 SG CYS A 16 -7.721 10.578 -1.113 1.00 1.03 S ATOM 0 H CYS A 16 -7.922 12.810 0.588 1.00 0.53 H new ATOM 0 HA CYS A 16 -6.912 13.493 -2.080 1.00 0.66 H new ATOM 0 HB2 CYS A 16 -9.533 12.138 -1.424 1.00 0.77 H new ATOM 0 HB3 CYS A 16 -8.559 11.996 -2.874 1.00 0.77 H new ATOM 223 N PRO A 17 -8.204 15.632 -2.354 1.00 1.16 N ATOM 224 CA PRO A 17 -8.976 16.859 -2.617 1.00 1.37 C ATOM 225 C PRO A 17 -10.244 16.642 -3.452 1.00 1.24 C ATOM 226 O PRO A 17 -11.306 17.162 -3.110 1.00 1.78 O ATOM 227 CB PRO A 17 -7.993 17.753 -3.384 1.00 2.12 C ATOM 228 CG PRO A 17 -6.644 17.192 -3.092 1.00 2.46 C ATOM 229 CD PRO A 17 -6.845 15.716 -2.922 1.00 1.81 C ATOM 0 HA PRO A 17 -9.341 17.282 -1.681 1.00 1.37 H new ATOM 0 HB2 PRO A 17 -8.202 17.740 -4.454 1.00 2.12 H new ATOM 0 HB3 PRO A 17 -8.067 18.790 -3.057 1.00 2.12 H new ATOM 0 HG2 PRO A 17 -5.949 17.401 -3.905 1.00 2.46 H new ATOM 0 HG3 PRO A 17 -6.222 17.636 -2.190 1.00 2.46 H new ATOM 0 HD2 PRO A 17 -6.771 15.186 -3.872 1.00 1.81 H new ATOM 0 HD3 PRO A 17 -6.101 15.281 -2.255 1.00 1.81 H new ATOM 237 N PRO A 18 -10.159 15.895 -4.569 1.00 1.30 N ATOM 238 CA PRO A 18 -11.317 15.660 -5.440 1.00 1.67 C ATOM 239 C PRO A 18 -12.351 14.726 -4.819 1.00 1.39 C ATOM 240 O PRO A 18 -12.318 14.454 -3.619 1.00 2.13 O ATOM 241 CB PRO A 18 -10.705 15.034 -6.694 1.00 2.50 C ATOM 242 CG PRO A 18 -9.426 14.421 -6.241 1.00 2.62 C ATOM 243 CD PRO A 18 -8.939 15.244 -5.080 1.00 1.89 C ATOM 0 HA PRO A 18 -11.864 16.583 -5.633 1.00 1.67 H new ATOM 0 HB2 PRO A 18 -11.370 14.285 -7.125 1.00 2.50 H new ATOM 0 HB3 PRO A 18 -10.530 15.785 -7.464 1.00 2.50 H new ATOM 0 HG2 PRO A 18 -9.578 13.384 -5.943 1.00 2.62 H new ATOM 0 HG3 PRO A 18 -8.692 14.417 -7.047 1.00 2.62 H new ATOM 0 HD2 PRO A 18 -8.470 14.621 -4.318 1.00 1.89 H new ATOM 0 HD3 PRO A 18 -8.197 15.978 -5.394 1.00 1.89 H new ATOM 251 N GLY A 19 -13.278 14.248 -5.647 1.00 1.07 N ATOM 252 CA GLY A 19 -14.319 13.359 -5.165 1.00 1.31 C ATOM 253 C GLY A 19 -13.785 11.999 -4.768 1.00 1.25 C ATOM 254 O GLY A 19 -14.350 11.332 -3.903 1.00 1.85 O ATOM 0 H GLY A 19 -13.325 14.462 -6.643 1.00 1.07 H new ATOM 0 HA2 GLY A 19 -14.813 13.816 -4.308 1.00 1.31 H new ATOM 0 HA3 GLY A 19 -15.075 13.236 -5.941 1.00 1.31 H new ATOM 258 N GLU A 20 -12.691 11.587 -5.396 1.00 0.99 N ATOM 259 CA GLU A 20 -12.082 10.303 -5.093 1.00 1.11 C ATOM 260 C GLU A 20 -11.319 10.375 -3.772 1.00 0.94 C ATOM 261 O GLU A 20 -10.156 10.771 -3.732 1.00 1.25 O ATOM 262 CB GLU A 20 -11.158 9.870 -6.241 1.00 1.52 C ATOM 263 CG GLU A 20 -9.865 10.662 -6.341 1.00 2.18 C ATOM 264 CD GLU A 20 -9.554 11.095 -7.761 1.00 3.05 C ATOM 265 OE1 GLU A 20 -10.079 10.464 -8.702 1.00 3.75 O ATOM 266 OE2 GLU A 20 -8.785 12.065 -7.931 1.00 3.51 O ATOM 0 H GLU A 20 -12.210 12.124 -6.117 1.00 0.99 H new ATOM 0 HA GLU A 20 -12.868 9.555 -4.988 1.00 1.11 H new ATOM 0 HB2 GLU A 20 -10.914 8.815 -6.116 1.00 1.52 H new ATOM 0 HB3 GLU A 20 -11.700 9.963 -7.182 1.00 1.52 H new ATOM 0 HG2 GLU A 20 -9.933 11.543 -5.703 1.00 2.18 H new ATOM 0 HG3 GLU A 20 -9.042 10.056 -5.961 1.00 2.18 H new ATOM 273 N ASN A 21 -11.984 9.992 -2.687 1.00 0.76 N ATOM 274 CA ASN A 21 -11.365 10.017 -1.364 1.00 0.95 C ATOM 275 C ASN A 21 -11.370 8.626 -0.746 1.00 0.87 C ATOM 276 O ASN A 21 -10.934 8.440 0.391 1.00 1.18 O ATOM 277 CB ASN A 21 -12.102 10.981 -0.429 1.00 1.33 C ATOM 278 CG ASN A 21 -12.771 12.123 -1.164 1.00 1.34 C ATOM 279 OD1 ASN A 21 -12.148 13.145 -1.456 1.00 1.71 O ATOM 280 ND2 ASN A 21 -14.051 11.949 -1.464 1.00 1.42 N ATOM 0 H ASN A 21 -12.949 9.661 -2.696 1.00 0.76 H new ATOM 0 HA ASN A 21 -10.337 10.358 -1.489 1.00 0.95 H new ATOM 0 HB2 ASN A 21 -12.854 10.428 0.134 1.00 1.33 H new ATOM 0 HB3 ASN A 21 -11.396 11.387 0.296 1.00 1.33 H new ATOM 0 HD21 ASN A 21 -14.563 12.680 -1.958 1.00 1.42 H new ATOM 0 HD22 ASN A 21 -14.524 11.084 -1.201 1.00 1.42 H new ATOM 287 N LEU A 22 -11.875 7.653 -1.493 1.00 0.63 N ATOM 288 CA LEU A 22 -11.947 6.288 -1.008 1.00 0.68 C ATOM 289 C LEU A 22 -10.558 5.671 -0.909 1.00 0.60 C ATOM 290 O LEU A 22 -9.757 5.770 -1.834 1.00 0.90 O ATOM 291 CB LEU A 22 -12.837 5.447 -1.926 1.00 0.87 C ATOM 292 CG LEU A 22 -14.148 4.984 -1.295 1.00 0.78 C ATOM 293 CD1 LEU A 22 -15.134 6.138 -1.204 1.00 1.36 C ATOM 294 CD2 LEU A 22 -14.744 3.829 -2.087 1.00 1.56 C ATOM 0 H LEU A 22 -12.240 7.787 -2.436 1.00 0.63 H new ATOM 0 HA LEU A 22 -12.384 6.304 -0.009 1.00 0.68 H new ATOM 0 HB2 LEU A 22 -13.065 6.028 -2.820 1.00 0.87 H new ATOM 0 HB3 LEU A 22 -12.276 4.570 -2.250 1.00 0.87 H new ATOM 0 HG LEU A 22 -13.938 4.633 -0.285 1.00 0.78 H new ATOM 0 HD11 LEU A 22 -16.062 5.789 -0.752 1.00 1.36 H new ATOM 0 HD12 LEU A 22 -14.708 6.933 -0.591 1.00 1.36 H new ATOM 0 HD13 LEU A 22 -15.339 6.521 -2.204 1.00 1.36 H new ATOM 0 HD21 LEU A 22 -15.678 3.513 -1.622 1.00 1.56 H new ATOM 0 HD22 LEU A 22 -14.939 4.151 -3.110 1.00 1.56 H new ATOM 0 HD23 LEU A 22 -14.043 2.995 -2.097 1.00 1.56 H new ATOM 306 N CYS A 23 -10.287 5.027 0.216 1.00 0.45 N ATOM 307 CA CYS A 23 -9.003 4.382 0.440 1.00 0.41 C ATOM 308 C CYS A 23 -9.112 2.893 0.168 1.00 0.41 C ATOM 309 O CYS A 23 -9.777 2.167 0.905 1.00 0.54 O ATOM 310 CB CYS A 23 -8.535 4.609 1.870 1.00 0.48 C ATOM 311 SG CYS A 23 -8.228 6.354 2.280 1.00 0.53 S ATOM 0 H CYS A 23 -10.943 4.937 0.992 1.00 0.45 H new ATOM 0 HA CYS A 23 -8.274 4.819 -0.243 1.00 0.41 H new ATOM 0 HB2 CYS A 23 -9.285 4.212 2.554 1.00 0.48 H new ATOM 0 HB3 CYS A 23 -7.620 4.041 2.036 1.00 0.48 H new ATOM 316 N TYR A 24 -8.466 2.436 -0.892 1.00 0.41 N ATOM 317 CA TYR A 24 -8.513 1.028 -1.236 1.00 0.46 C ATOM 318 C TYR A 24 -7.299 0.291 -0.693 1.00 0.44 C ATOM 319 O TYR A 24 -6.209 0.860 -0.553 1.00 0.44 O ATOM 320 CB TYR A 24 -8.616 0.837 -2.745 1.00 0.53 C ATOM 321 CG TYR A 24 -7.382 1.270 -3.483 1.00 0.52 C ATOM 322 CD1 TYR A 24 -7.232 2.584 -3.895 1.00 1.32 C ATOM 323 CD2 TYR A 24 -6.365 0.368 -3.767 1.00 1.25 C ATOM 324 CE1 TYR A 24 -6.103 2.989 -4.574 1.00 1.36 C ATOM 325 CE2 TYR A 24 -5.235 0.763 -4.441 1.00 1.26 C ATOM 326 CZ TYR A 24 -5.105 2.075 -4.846 1.00 0.63 C ATOM 327 OH TYR A 24 -3.974 2.473 -5.525 1.00 0.72 O ATOM 0 H TYR A 24 -7.909 3.013 -1.522 1.00 0.41 H new ATOM 0 HA TYR A 24 -9.405 0.606 -0.774 1.00 0.46 H new ATOM 0 HB2 TYR A 24 -8.809 -0.214 -2.959 1.00 0.53 H new ATOM 0 HB3 TYR A 24 -9.471 1.401 -3.118 1.00 0.53 H new ATOM 0 HD1 TYR A 24 -8.011 3.301 -3.681 1.00 1.32 H new ATOM 0 HD2 TYR A 24 -6.464 -0.661 -3.453 1.00 1.25 H new ATOM 0 HE1 TYR A 24 -6.000 4.016 -4.892 1.00 1.36 H new ATOM 0 HE2 TYR A 24 -4.452 0.050 -4.653 1.00 1.26 H new ATOM 0 HH TYR A 24 -3.371 1.708 -5.633 1.00 0.72 H new ATOM 337 N ARG A 25 -7.513 -0.980 -0.393 1.00 0.49 N ATOM 338 CA ARG A 25 -6.478 -1.848 0.144 1.00 0.52 C ATOM 339 C ARG A 25 -6.229 -3.006 -0.812 1.00 0.56 C ATOM 340 O ARG A 25 -6.784 -4.092 -0.643 1.00 0.67 O ATOM 341 CB ARG A 25 -6.920 -2.371 1.511 1.00 0.65 C ATOM 342 CG ARG A 25 -5.949 -3.351 2.145 1.00 1.31 C ATOM 343 CD ARG A 25 -5.676 -2.998 3.599 1.00 1.31 C ATOM 344 NE ARG A 25 -4.318 -2.503 3.782 1.00 1.20 N ATOM 345 CZ ARG A 25 -3.248 -3.289 3.820 1.00 1.93 C ATOM 346 NH1 ARG A 25 -3.388 -4.607 3.780 1.00 2.61 N ATOM 347 NH2 ARG A 25 -2.038 -2.761 3.918 1.00 2.55 N ATOM 0 H ARG A 25 -8.415 -1.441 -0.516 1.00 0.49 H new ATOM 0 HA ARG A 25 -5.550 -1.288 0.259 1.00 0.52 H new ATOM 0 HB2 ARG A 25 -7.057 -1.525 2.185 1.00 0.65 H new ATOM 0 HB3 ARG A 25 -7.891 -2.855 1.406 1.00 0.65 H new ATOM 0 HG2 ARG A 25 -6.356 -4.360 2.084 1.00 1.31 H new ATOM 0 HG3 ARG A 25 -5.013 -3.351 1.587 1.00 1.31 H new ATOM 0 HD2 ARG A 25 -6.388 -2.242 3.931 1.00 1.31 H new ATOM 0 HD3 ARG A 25 -5.831 -3.878 4.223 1.00 1.31 H new ATOM 0 HE ARG A 25 -4.181 -1.498 3.887 1.00 1.20 H new ATOM 0 HH11 ARG A 25 -4.319 -5.019 3.720 1.00 2.61 H new ATOM 0 HH12 ARG A 25 -2.565 -5.208 3.809 1.00 2.61 H new ATOM 0 HH21 ARG A 25 -1.926 -1.748 3.965 1.00 2.55 H new ATOM 0 HH22 ARG A 25 -1.218 -3.367 3.947 1.00 2.55 H new ATOM 361 N LYS A 26 -5.406 -2.762 -1.827 1.00 0.56 N ATOM 362 CA LYS A 26 -5.102 -3.780 -2.825 1.00 0.67 C ATOM 363 C LYS A 26 -4.074 -4.774 -2.303 1.00 0.60 C ATOM 364 O LYS A 26 -3.106 -4.396 -1.644 1.00 0.70 O ATOM 365 CB LYS A 26 -4.601 -3.111 -4.106 1.00 0.89 C ATOM 366 CG LYS A 26 -4.066 -4.083 -5.146 1.00 1.16 C ATOM 367 CD LYS A 26 -4.993 -4.181 -6.343 1.00 0.95 C ATOM 368 CE LYS A 26 -6.230 -4.998 -6.013 1.00 1.50 C ATOM 369 NZ LYS A 26 -6.955 -5.429 -7.240 1.00 2.28 N ATOM 0 H LYS A 26 -4.938 -1.869 -1.980 1.00 0.56 H new ATOM 0 HA LYS A 26 -6.015 -4.335 -3.043 1.00 0.67 H new ATOM 0 HB2 LYS A 26 -5.416 -2.537 -4.546 1.00 0.89 H new ATOM 0 HB3 LYS A 26 -3.814 -2.402 -3.849 1.00 0.89 H new ATOM 0 HG2 LYS A 26 -3.079 -3.759 -5.475 1.00 1.16 H new ATOM 0 HG3 LYS A 26 -3.945 -5.069 -4.696 1.00 1.16 H new ATOM 0 HD2 LYS A 26 -5.288 -3.181 -6.661 1.00 0.95 H new ATOM 0 HD3 LYS A 26 -4.464 -4.638 -7.179 1.00 0.95 H new ATOM 0 HE2 LYS A 26 -5.942 -5.876 -5.435 1.00 1.50 H new ATOM 0 HE3 LYS A 26 -6.898 -4.408 -5.385 1.00 1.50 H new ATOM 0 HZ1 LYS A 26 -7.793 -5.984 -6.971 1.00 2.28 H new ATOM 0 HZ2 LYS A 26 -7.253 -4.591 -7.779 1.00 2.28 H new ATOM 0 HZ3 LYS A 26 -6.326 -6.013 -7.827 1.00 2.28 H new ATOM 383 N MET A 27 -4.293 -6.052 -2.606 1.00 0.56 N ATOM 384 CA MET A 27 -3.382 -7.098 -2.167 1.00 0.57 C ATOM 385 C MET A 27 -3.472 -8.337 -3.049 1.00 0.58 C ATOM 386 O MET A 27 -4.555 -8.870 -3.288 1.00 0.71 O ATOM 387 CB MET A 27 -3.674 -7.498 -0.720 1.00 0.66 C ATOM 388 CG MET A 27 -3.853 -6.326 0.228 1.00 0.99 C ATOM 389 SD MET A 27 -4.152 -6.861 1.922 1.00 1.45 S ATOM 390 CE MET A 27 -5.642 -7.834 1.714 1.00 1.59 C ATOM 0 H MET A 27 -5.089 -6.383 -3.151 1.00 0.56 H new ATOM 0 HA MET A 27 -2.375 -6.689 -2.242 1.00 0.57 H new ATOM 0 HB2 MET A 27 -4.577 -8.108 -0.699 1.00 0.66 H new ATOM 0 HB3 MET A 27 -2.858 -8.123 -0.356 1.00 0.66 H new ATOM 0 HG2 MET A 27 -2.963 -5.698 0.199 1.00 0.99 H new ATOM 0 HG3 MET A 27 -4.688 -5.712 -0.110 1.00 0.99 H new ATOM 0 HE1 MET A 27 -6.270 -7.731 2.599 1.00 1.59 H new ATOM 0 HE2 MET A 27 -6.187 -7.482 0.838 1.00 1.59 H new ATOM 0 HE3 MET A 27 -5.376 -8.882 1.578 1.00 1.59 H new ATOM 400 N TRP A 28 -2.315 -8.806 -3.496 1.00 0.52 N ATOM 401 CA TRP A 28 -2.238 -10.010 -4.317 1.00 0.55 C ATOM 402 C TRP A 28 -1.101 -10.898 -3.822 1.00 0.52 C ATOM 403 O TRP A 28 -0.705 -10.800 -2.661 1.00 0.52 O ATOM 404 CB TRP A 28 -2.083 -9.669 -5.801 1.00 0.62 C ATOM 405 CG TRP A 28 -0.798 -9.001 -6.142 1.00 0.61 C ATOM 406 CD1 TRP A 28 0.386 -9.602 -6.421 1.00 0.67 C ATOM 407 CD2 TRP A 28 -0.579 -7.600 -6.246 1.00 0.61 C ATOM 408 NE1 TRP A 28 1.341 -8.651 -6.707 1.00 0.70 N ATOM 409 CE2 TRP A 28 0.767 -7.408 -6.601 1.00 0.66 C ATOM 410 CE3 TRP A 28 -1.398 -6.491 -6.072 1.00 0.63 C ATOM 411 CZ2 TRP A 28 1.311 -6.137 -6.788 1.00 0.70 C ATOM 412 CZ3 TRP A 28 -0.864 -5.235 -6.249 1.00 0.68 C ATOM 413 CH2 TRP A 28 0.479 -5.061 -6.605 1.00 0.71 C ATOM 0 H TRP A 28 -1.413 -8.370 -3.304 1.00 0.52 H new ATOM 0 HA TRP A 28 -3.174 -10.559 -4.220 1.00 0.55 H new ATOM 0 HB2 TRP A 28 -2.169 -10.586 -6.384 1.00 0.62 H new ATOM 0 HB3 TRP A 28 -2.907 -9.022 -6.102 1.00 0.62 H new ATOM 0 HD1 TRP A 28 0.555 -10.669 -6.419 1.00 0.67 H new ATOM 0 HE1 TRP A 28 2.312 -8.839 -6.956 1.00 0.70 H new ATOM 0 HE3 TRP A 28 -2.437 -6.613 -5.802 1.00 0.63 H new ATOM 0 HZ2 TRP A 28 2.346 -6.005 -7.066 1.00 0.70 H new ATOM 0 HZ3 TRP A 28 -1.492 -4.368 -6.111 1.00 0.68 H new ATOM 0 HH2 TRP A 28 0.867 -4.062 -6.738 1.00 0.71 H new ATOM 424 N CYS A 29 -0.590 -11.777 -4.675 1.00 0.64 N ATOM 425 CA CYS A 29 0.481 -12.679 -4.258 1.00 0.65 C ATOM 426 C CYS A 29 1.809 -12.353 -4.918 1.00 0.72 C ATOM 427 O CYS A 29 1.939 -12.386 -6.142 1.00 0.91 O ATOM 428 CB CYS A 29 0.095 -14.135 -4.547 1.00 0.85 C ATOM 429 SG CYS A 29 0.283 -15.256 -3.120 1.00 1.61 S ATOM 0 H CYS A 29 -0.892 -11.886 -5.643 1.00 0.64 H new ATOM 0 HA CYS A 29 0.611 -12.541 -3.185 1.00 0.65 H new ATOM 0 HB2 CYS A 29 -0.941 -14.164 -4.884 1.00 0.85 H new ATOM 0 HB3 CYS A 29 0.708 -14.505 -5.369 1.00 0.85 H new ATOM 434 N ASP A 30 2.803 -12.061 -4.084 1.00 0.70 N ATOM 435 CA ASP A 30 4.135 -11.754 -4.564 1.00 0.87 C ATOM 436 C ASP A 30 5.175 -12.373 -3.648 1.00 0.98 C ATOM 437 O ASP A 30 5.714 -11.715 -2.747 1.00 0.81 O ATOM 438 CB ASP A 30 4.342 -10.252 -4.662 1.00 0.93 C ATOM 439 CG ASP A 30 5.286 -9.868 -5.785 1.00 1.45 C ATOM 440 OD1 ASP A 30 6.479 -10.232 -5.708 1.00 2.02 O ATOM 441 OD2 ASP A 30 4.833 -9.204 -6.740 1.00 2.15 O ATOM 0 H ASP A 30 2.704 -12.032 -3.069 1.00 0.70 H new ATOM 0 HA ASP A 30 4.247 -12.177 -5.562 1.00 0.87 H new ATOM 0 HB2 ASP A 30 3.379 -9.765 -4.818 1.00 0.93 H new ATOM 0 HB3 ASP A 30 4.737 -9.880 -3.717 1.00 0.93 H new ATOM 446 N ALA A 31 5.451 -13.647 -3.889 1.00 1.72 N ATOM 447 CA ALA A 31 6.431 -14.393 -3.116 1.00 1.99 C ATOM 448 C ALA A 31 5.802 -15.208 -1.983 1.00 1.68 C ATOM 449 O ALA A 31 6.311 -16.270 -1.650 1.00 1.92 O ATOM 450 CB ALA A 31 7.514 -13.490 -2.582 1.00 2.26 C ATOM 0 H ALA A 31 5.002 -14.191 -4.625 1.00 1.72 H new ATOM 0 HA ALA A 31 6.881 -15.105 -3.807 1.00 1.99 H new ATOM 0 HB1 ALA A 31 8.230 -14.080 -2.009 1.00 2.26 H new ATOM 0 HB2 ALA A 31 8.026 -13.005 -3.413 1.00 2.26 H new ATOM 0 HB3 ALA A 31 7.070 -12.732 -1.937 1.00 2.26 H new ATOM 456 N PHE A 32 4.689 -14.771 -1.397 1.00 1.44 N ATOM 457 CA PHE A 32 4.085 -15.590 -0.350 1.00 1.44 C ATOM 458 C PHE A 32 3.633 -16.876 -0.998 1.00 1.19 C ATOM 459 O PHE A 32 3.689 -17.953 -0.405 1.00 1.33 O ATOM 460 CB PHE A 32 2.897 -14.901 0.302 1.00 2.11 C ATOM 461 CG PHE A 32 2.773 -15.184 1.775 1.00 2.68 C ATOM 462 CD1 PHE A 32 3.904 -15.305 2.568 1.00 3.19 C ATOM 463 CD2 PHE A 32 1.528 -15.330 2.364 1.00 3.24 C ATOM 464 CE1 PHE A 32 3.795 -15.567 3.920 1.00 3.84 C ATOM 465 CE2 PHE A 32 1.413 -15.593 3.716 1.00 3.91 C ATOM 466 CZ PHE A 32 2.547 -15.712 4.495 1.00 4.07 C ATOM 0 H PHE A 32 4.207 -13.899 -1.615 1.00 1.44 H new ATOM 0 HA PHE A 32 4.817 -15.768 0.438 1.00 1.44 H new ATOM 0 HB2 PHE A 32 2.985 -13.825 0.153 1.00 2.11 H new ATOM 0 HB3 PHE A 32 1.983 -15.219 -0.199 1.00 2.11 H new ATOM 0 HD1 PHE A 32 4.882 -15.193 2.123 1.00 3.19 H new ATOM 0 HD2 PHE A 32 0.637 -15.237 1.760 1.00 3.24 H new ATOM 0 HE1 PHE A 32 4.684 -15.658 4.527 1.00 3.84 H new ATOM 0 HE2 PHE A 32 0.436 -15.705 4.163 1.00 3.91 H new ATOM 0 HZ PHE A 32 2.459 -15.918 5.551 1.00 4.07 H new ATOM 476 N CYS A 33 3.257 -16.747 -2.259 1.00 1.22 N ATOM 477 CA CYS A 33 2.875 -17.880 -3.053 1.00 1.53 C ATOM 478 C CYS A 33 4.156 -18.601 -3.453 1.00 1.78 C ATOM 479 O CYS A 33 4.213 -19.829 -3.513 1.00 2.42 O ATOM 480 CB CYS A 33 2.082 -17.410 -4.277 1.00 1.66 C ATOM 481 SG CYS A 33 0.314 -17.112 -3.949 1.00 1.75 S ATOM 0 H CYS A 33 3.211 -15.854 -2.750 1.00 1.22 H new ATOM 0 HA CYS A 33 2.230 -18.561 -2.497 1.00 1.53 H new ATOM 0 HB2 CYS A 33 2.530 -16.491 -4.656 1.00 1.66 H new ATOM 0 HB3 CYS A 33 2.173 -18.158 -5.065 1.00 1.66 H new ATOM 486 N SER A 34 5.197 -17.799 -3.685 1.00 1.74 N ATOM 487 CA SER A 34 6.514 -18.304 -4.035 1.00 2.26 C ATOM 488 C SER A 34 7.382 -18.485 -2.783 1.00 2.02 C ATOM 489 O SER A 34 7.616 -19.609 -2.339 1.00 2.27 O ATOM 490 CB SER A 34 7.201 -17.352 -5.017 1.00 2.94 C ATOM 491 OG SER A 34 7.582 -18.029 -6.202 1.00 3.32 O ATOM 0 H SER A 34 5.144 -16.782 -3.634 1.00 1.74 H new ATOM 0 HA SER A 34 6.390 -19.277 -4.510 1.00 2.26 H new ATOM 0 HB2 SER A 34 6.528 -16.531 -5.264 1.00 2.94 H new ATOM 0 HB3 SER A 34 8.081 -16.912 -4.547 1.00 2.94 H new ATOM 0 HG SER A 34 8.017 -17.399 -6.813 1.00 3.32 H new ATOM 497 N SER A 35 7.871 -17.367 -2.226 1.00 1.89 N ATOM 498 CA SER A 35 8.731 -17.418 -1.034 1.00 2.18 C ATOM 499 C SER A 35 8.514 -16.274 -0.009 1.00 2.11 C ATOM 500 O SER A 35 8.387 -16.540 1.186 1.00 2.68 O ATOM 501 CB SER A 35 10.198 -17.432 -1.465 1.00 2.74 C ATOM 502 OG SER A 35 10.494 -16.332 -2.307 1.00 2.77 O ATOM 0 H SER A 35 7.689 -16.427 -2.577 1.00 1.89 H new ATOM 0 HA SER A 35 8.449 -18.334 -0.516 1.00 2.18 H new ATOM 0 HB2 SER A 35 10.839 -17.402 -0.584 1.00 2.74 H new ATOM 0 HB3 SER A 35 10.418 -18.363 -1.988 1.00 2.74 H new ATOM 0 HG SER A 35 11.438 -16.364 -2.567 1.00 2.77 H new ATOM 508 N ARG A 36 8.549 -15.009 -0.457 1.00 1.64 N ATOM 509 CA ARG A 36 8.437 -13.855 0.465 1.00 1.59 C ATOM 510 C ARG A 36 7.024 -13.618 1.019 1.00 1.29 C ATOM 511 O ARG A 36 6.702 -14.143 2.084 1.00 1.33 O ATOM 512 CB ARG A 36 8.985 -12.553 -0.156 1.00 1.84 C ATOM 513 CG ARG A 36 10.191 -12.739 -1.064 1.00 1.84 C ATOM 514 CD ARG A 36 10.869 -11.410 -1.371 1.00 1.83 C ATOM 515 NE ARG A 36 12.287 -11.424 -1.017 1.00 2.56 N ATOM 516 CZ ARG A 36 13.184 -10.576 -1.515 1.00 2.99 C ATOM 517 NH1 ARG A 36 12.816 -9.641 -2.383 1.00 3.06 N ATOM 518 NH2 ARG A 36 14.454 -10.663 -1.142 1.00 3.84 N ATOM 0 H ARG A 36 8.653 -14.755 -1.439 1.00 1.64 H new ATOM 0 HA ARG A 36 9.062 -14.135 1.313 1.00 1.59 H new ATOM 0 HB2 ARG A 36 8.188 -12.076 -0.726 1.00 1.84 H new ATOM 0 HB3 ARG A 36 9.255 -11.869 0.648 1.00 1.84 H new ATOM 0 HG2 ARG A 36 10.905 -13.412 -0.589 1.00 1.84 H new ATOM 0 HG3 ARG A 36 9.878 -13.212 -1.995 1.00 1.84 H new ATOM 0 HD2 ARG A 36 10.763 -11.185 -2.432 1.00 1.83 H new ATOM 0 HD3 ARG A 36 10.367 -10.612 -0.824 1.00 1.83 H new ATOM 0 HE ARG A 36 12.608 -12.125 -0.349 1.00 2.56 H new ATOM 0 HH11 ARG A 36 11.841 -9.569 -2.672 1.00 3.06 H new ATOM 0 HH12 ARG A 36 13.509 -8.995 -2.761 1.00 3.06 H new ATOM 0 HH21 ARG A 36 14.742 -11.379 -0.475 1.00 3.84 H new ATOM 0 HH22 ARG A 36 15.143 -10.014 -1.523 1.00 3.84 H new ATOM 532 N GLY A 37 6.186 -12.799 0.350 1.00 1.13 N ATOM 533 CA GLY A 37 4.865 -12.537 0.905 1.00 0.92 C ATOM 534 C GLY A 37 3.857 -11.987 -0.091 1.00 0.76 C ATOM 535 O GLY A 37 4.143 -11.842 -1.275 1.00 1.02 O ATOM 0 H GLY A 37 6.396 -12.333 -0.533 1.00 1.13 H new ATOM 0 HA2 GLY A 37 4.472 -13.463 1.326 1.00 0.92 H new ATOM 0 HA3 GLY A 37 4.965 -11.830 1.728 1.00 0.92 H new ATOM 539 N LYS A 38 2.661 -11.675 0.400 1.00 0.53 N ATOM 540 CA LYS A 38 1.618 -11.131 -0.450 1.00 0.51 C ATOM 541 C LYS A 38 1.866 -9.648 -0.630 1.00 0.50 C ATOM 542 O LYS A 38 2.351 -8.996 0.277 1.00 0.69 O ATOM 543 CB LYS A 38 0.238 -11.374 0.167 1.00 0.61 C ATOM 544 CG LYS A 38 -0.556 -12.470 -0.528 1.00 0.81 C ATOM 545 CD LYS A 38 -0.947 -13.582 0.436 1.00 1.24 C ATOM 546 CE LYS A 38 -2.417 -13.946 0.303 1.00 1.55 C ATOM 547 NZ LYS A 38 -2.886 -14.789 1.437 1.00 2.13 N ATOM 0 H LYS A 38 2.395 -11.790 1.378 1.00 0.53 H new ATOM 0 HA LYS A 38 1.639 -11.628 -1.420 1.00 0.51 H new ATOM 0 HB2 LYS A 38 0.360 -11.636 1.218 1.00 0.61 H new ATOM 0 HB3 LYS A 38 -0.334 -10.447 0.134 1.00 0.61 H new ATOM 0 HG2 LYS A 38 -1.454 -12.042 -0.973 1.00 0.81 H new ATOM 0 HG3 LYS A 38 0.036 -12.887 -1.343 1.00 0.81 H new ATOM 0 HD2 LYS A 38 -0.335 -14.463 0.244 1.00 1.24 H new ATOM 0 HD3 LYS A 38 -0.741 -13.267 1.459 1.00 1.24 H new ATOM 0 HE2 LYS A 38 -3.014 -13.035 0.257 1.00 1.55 H new ATOM 0 HE3 LYS A 38 -2.576 -14.478 -0.635 1.00 1.55 H new ATOM 0 HZ1 LYS A 38 -3.893 -15.015 1.308 1.00 2.13 H new ATOM 0 HZ2 LYS A 38 -2.334 -15.670 1.466 1.00 2.13 H new ATOM 0 HZ3 LYS A 38 -2.759 -14.271 2.330 1.00 2.13 H new ATOM 561 N VAL A 39 1.562 -9.119 -1.795 1.00 0.49 N ATOM 562 CA VAL A 39 1.791 -7.706 -2.052 1.00 0.50 C ATOM 563 C VAL A 39 0.667 -6.844 -1.495 1.00 0.45 C ATOM 564 O VAL A 39 -0.486 -7.268 -1.417 1.00 0.50 O ATOM 565 CB VAL A 39 1.962 -7.445 -3.554 1.00 0.64 C ATOM 566 CG1 VAL A 39 1.442 -6.064 -3.951 1.00 0.75 C ATOM 567 CG2 VAL A 39 3.420 -7.578 -3.949 1.00 0.99 C ATOM 0 H VAL A 39 1.159 -9.637 -2.576 1.00 0.49 H new ATOM 0 HA VAL A 39 2.712 -7.430 -1.539 1.00 0.50 H new ATOM 0 HB VAL A 39 1.372 -8.192 -4.085 1.00 0.64 H new ATOM 0 HG11 VAL A 39 1.581 -5.917 -5.022 1.00 0.75 H new ATOM 0 HG12 VAL A 39 0.382 -5.991 -3.709 1.00 0.75 H new ATOM 0 HG13 VAL A 39 1.992 -5.297 -3.405 1.00 0.75 H new ATOM 0 HG21 VAL A 39 3.526 -7.390 -5.017 1.00 0.99 H new ATOM 0 HG22 VAL A 39 4.015 -6.854 -3.392 1.00 0.99 H new ATOM 0 HG23 VAL A 39 3.768 -8.586 -3.721 1.00 0.99 H new ATOM 577 N VAL A 40 1.035 -5.624 -1.112 1.00 0.41 N ATOM 578 CA VAL A 40 0.097 -4.666 -0.557 1.00 0.41 C ATOM 579 C VAL A 40 0.374 -3.254 -1.066 1.00 0.38 C ATOM 580 O VAL A 40 1.483 -2.722 -0.884 1.00 0.39 O ATOM 581 CB VAL A 40 0.165 -4.643 0.983 1.00 0.44 C ATOM 582 CG1 VAL A 40 -1.058 -3.948 1.561 1.00 0.60 C ATOM 583 CG2 VAL A 40 0.297 -6.051 1.538 1.00 0.50 C ATOM 0 H VAL A 40 1.992 -5.277 -1.180 1.00 0.41 H new ATOM 0 HA VAL A 40 -0.895 -4.984 -0.879 1.00 0.41 H new ATOM 0 HB VAL A 40 1.050 -4.079 1.278 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -0.992 -3.941 2.649 1.00 0.60 H new ATOM 0 HG12 VAL A 40 -1.101 -2.923 1.194 1.00 0.60 H new ATOM 0 HG13 VAL A 40 -1.958 -4.481 1.255 1.00 0.60 H new ATOM 0 HG21 VAL A 40 0.343 -6.010 2.626 1.00 0.50 H new ATOM 0 HG22 VAL A 40 -0.565 -6.644 1.233 1.00 0.50 H new ATOM 0 HG23 VAL A 40 1.208 -6.510 1.153 1.00 0.50 H new ATOM 593 N GLU A 41 -0.653 -2.643 -1.666 1.00 0.40 N ATOM 594 CA GLU A 41 -0.556 -1.275 -2.159 1.00 0.43 C ATOM 595 C GLU A 41 -1.722 -0.447 -1.624 1.00 0.44 C ATOM 596 O GLU A 41 -2.892 -0.773 -1.857 1.00 0.65 O ATOM 597 CB GLU A 41 -0.532 -1.183 -3.691 1.00 0.57 C ATOM 598 CG GLU A 41 -1.026 -2.409 -4.429 1.00 1.04 C ATOM 599 CD GLU A 41 -1.016 -2.190 -5.931 1.00 1.88 C ATOM 600 OE1 GLU A 41 0.084 -2.019 -6.497 1.00 2.59 O ATOM 601 OE2 GLU A 41 -2.106 -2.179 -6.540 1.00 2.52 O ATOM 0 H GLU A 41 -1.562 -3.080 -1.820 1.00 0.40 H new ATOM 0 HA GLU A 41 0.395 -0.882 -1.798 1.00 0.43 H new ATOM 0 HB2 GLU A 41 -1.138 -0.330 -3.995 1.00 0.57 H new ATOM 0 HB3 GLU A 41 0.490 -0.977 -4.009 1.00 0.57 H new ATOM 0 HG2 GLU A 41 -0.397 -3.264 -4.180 1.00 1.04 H new ATOM 0 HG3 GLU A 41 -2.037 -2.651 -4.101 1.00 1.04 H new ATOM 608 N LEU A 42 -1.396 0.625 -0.912 1.00 0.45 N ATOM 609 CA LEU A 42 -2.407 1.511 -0.348 1.00 0.46 C ATOM 610 C LEU A 42 -2.632 2.696 -1.280 1.00 0.46 C ATOM 611 O LEU A 42 -1.671 3.293 -1.766 1.00 0.60 O ATOM 612 CB LEU A 42 -1.962 2.016 1.030 1.00 0.61 C ATOM 613 CG LEU A 42 -1.659 0.941 2.072 1.00 0.59 C ATOM 614 CD1 LEU A 42 -1.554 1.561 3.457 1.00 0.84 C ATOM 615 CD2 LEU A 42 -2.719 -0.150 2.052 1.00 0.93 C ATOM 0 H LEU A 42 -0.435 0.903 -0.711 1.00 0.45 H new ATOM 0 HA LEU A 42 -3.338 0.955 -0.237 1.00 0.46 H new ATOM 0 HB2 LEU A 42 -1.070 2.629 0.900 1.00 0.61 H new ATOM 0 HB3 LEU A 42 -2.741 2.667 1.425 1.00 0.61 H new ATOM 0 HG LEU A 42 -0.701 0.484 1.823 1.00 0.59 H new ATOM 0 HD11 LEU A 42 -1.338 0.783 4.189 1.00 0.84 H new ATOM 0 HD12 LEU A 42 -0.752 2.299 3.465 1.00 0.84 H new ATOM 0 HD13 LEU A 42 -2.497 2.046 3.711 1.00 0.84 H new ATOM 0 HD21 LEU A 42 -2.480 -0.903 2.803 1.00 0.93 H new ATOM 0 HD22 LEU A 42 -3.694 0.286 2.272 1.00 0.93 H new ATOM 0 HD23 LEU A 42 -2.744 -0.615 1.067 1.00 0.93 H new ATOM 627 N GLY A 43 -3.892 3.038 -1.542 1.00 0.41 N ATOM 628 CA GLY A 43 -4.155 4.156 -2.433 1.00 0.51 C ATOM 629 C GLY A 43 -5.511 4.804 -2.230 1.00 0.42 C ATOM 630 O GLY A 43 -6.309 4.364 -1.403 1.00 0.43 O ATOM 0 H GLY A 43 -4.718 2.574 -1.164 1.00 0.41 H new ATOM 0 HA2 GLY A 43 -3.380 4.909 -2.292 1.00 0.51 H new ATOM 0 HA3 GLY A 43 -4.080 3.810 -3.464 1.00 0.51 H new ATOM 634 N CYS A 44 -5.759 5.862 -3.000 1.00 0.46 N ATOM 635 CA CYS A 44 -7.014 6.603 -2.930 1.00 0.44 C ATOM 636 C CYS A 44 -7.703 6.614 -4.294 1.00 0.48 C ATOM 637 O CYS A 44 -7.143 7.103 -5.276 1.00 0.74 O ATOM 638 CB CYS A 44 -6.746 8.036 -2.460 1.00 0.51 C ATOM 639 SG CYS A 44 -8.217 9.112 -2.430 1.00 0.63 S ATOM 0 H CYS A 44 -5.098 6.227 -3.686 1.00 0.46 H new ATOM 0 HA CYS A 44 -7.674 6.112 -2.215 1.00 0.44 H new ATOM 0 HB2 CYS A 44 -6.317 8.002 -1.459 1.00 0.51 H new ATOM 0 HB3 CYS A 44 -5.997 8.485 -3.113 1.00 0.51 H new ATOM 644 N ALA A 45 -8.912 6.063 -4.354 1.00 0.51 N ATOM 645 CA ALA A 45 -9.663 6.003 -5.604 1.00 0.59 C ATOM 646 C ALA A 45 -11.083 6.534 -5.437 1.00 0.63 C ATOM 647 O ALA A 45 -11.494 6.918 -4.342 1.00 0.69 O ATOM 648 CB ALA A 45 -9.698 4.575 -6.123 1.00 0.72 C ATOM 0 H ALA A 45 -9.392 5.652 -3.553 1.00 0.51 H new ATOM 0 HA ALA A 45 -9.154 6.640 -6.327 1.00 0.59 H new ATOM 0 HB1 ALA A 45 -10.261 4.541 -7.056 1.00 0.72 H new ATOM 0 HB2 ALA A 45 -8.680 4.227 -6.300 1.00 0.72 H new ATOM 0 HB3 ALA A 45 -10.178 3.932 -5.386 1.00 0.72 H new ATOM 654 N ALA A 46 -11.827 6.542 -6.539 1.00 0.71 N ATOM 655 CA ALA A 46 -13.204 7.010 -6.545 1.00 0.81 C ATOM 656 C ALA A 46 -14.129 5.914 -7.052 1.00 0.95 C ATOM 657 O ALA A 46 -15.301 5.850 -6.681 1.00 1.15 O ATOM 658 CB ALA A 46 -13.340 8.247 -7.420 1.00 0.91 C ATOM 0 H ALA A 46 -11.491 6.225 -7.449 1.00 0.71 H new ATOM 0 HA ALA A 46 -13.485 7.269 -5.524 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -14.376 8.585 -7.414 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -12.698 9.039 -7.033 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -13.043 8.005 -8.441 1.00 0.91 H new ATOM 664 N THR A 47 -13.591 5.057 -7.919 1.00 0.93 N ATOM 665 CA THR A 47 -14.365 3.969 -8.493 1.00 1.12 C ATOM 666 C THR A 47 -13.743 2.610 -8.177 1.00 0.92 C ATOM 667 O THR A 47 -13.489 1.808 -9.076 1.00 1.13 O ATOM 668 CB THR A 47 -14.471 4.149 -10.006 1.00 1.52 C ATOM 669 OG1 THR A 47 -15.371 3.208 -10.564 1.00 2.10 O ATOM 670 CG2 THR A 47 -13.140 3.988 -10.704 1.00 2.05 C ATOM 0 H THR A 47 -12.622 5.099 -8.236 1.00 0.93 H new ATOM 0 HA THR A 47 -15.360 3.995 -8.049 1.00 1.12 H new ATOM 0 HB THR A 47 -14.831 5.166 -10.160 1.00 1.52 H new ATOM 0 HG1 THR A 47 -15.031 2.301 -10.413 1.00 2.10 H new ATOM 0 HG21 THR A 47 -13.273 4.126 -11.777 1.00 2.05 H new ATOM 0 HG22 THR A 47 -12.439 4.732 -10.327 1.00 2.05 H new ATOM 0 HG23 THR A 47 -12.747 2.989 -10.512 1.00 2.05 H new ATOM 678 N CYS A 48 -13.504 2.362 -6.895 1.00 0.83 N ATOM 679 CA CYS A 48 -12.913 1.101 -6.439 1.00 0.92 C ATOM 680 C CYS A 48 -13.478 -0.094 -7.216 1.00 1.02 C ATOM 681 O CYS A 48 -14.585 -0.555 -6.940 1.00 1.56 O ATOM 682 CB CYS A 48 -13.175 0.915 -4.943 1.00 1.33 C ATOM 683 SG CYS A 48 -12.181 -0.399 -4.165 1.00 1.39 S ATOM 0 H CYS A 48 -13.711 3.021 -6.144 1.00 0.83 H new ATOM 0 HA CYS A 48 -11.839 1.147 -6.621 1.00 0.92 H new ATOM 0 HB2 CYS A 48 -12.975 1.857 -4.431 1.00 1.33 H new ATOM 0 HB3 CYS A 48 -14.231 0.690 -4.796 1.00 1.33 H new ATOM 688 N PRO A 49 -12.723 -0.605 -8.209 1.00 1.32 N ATOM 689 CA PRO A 49 -13.158 -1.741 -9.032 1.00 1.61 C ATOM 690 C PRO A 49 -13.174 -3.059 -8.263 1.00 1.16 C ATOM 691 O PRO A 49 -12.966 -3.087 -7.050 1.00 1.60 O ATOM 692 CB PRO A 49 -12.115 -1.789 -10.151 1.00 2.49 C ATOM 693 CG PRO A 49 -10.898 -1.168 -9.560 1.00 2.87 C ATOM 694 CD PRO A 49 -11.392 -0.110 -8.614 1.00 2.10 C ATOM 0 HA PRO A 49 -14.181 -1.612 -9.384 1.00 1.61 H new ATOM 0 HB2 PRO A 49 -11.922 -2.814 -10.469 1.00 2.49 H new ATOM 0 HB3 PRO A 49 -12.452 -1.240 -11.030 1.00 2.49 H new ATOM 0 HG2 PRO A 49 -10.296 -1.910 -9.036 1.00 2.87 H new ATOM 0 HG3 PRO A 49 -10.265 -0.735 -10.335 1.00 2.87 H new ATOM 0 HD2 PRO A 49 -10.728 0.004 -7.757 1.00 2.10 H new ATOM 0 HD3 PRO A 49 -11.456 0.864 -9.099 1.00 2.10 H new ATOM 702 N SER A 50 -13.426 -4.150 -8.983 1.00 1.54 N ATOM 703 CA SER A 50 -13.476 -5.477 -8.378 1.00 1.88 C ATOM 704 C SER A 50 -12.103 -6.145 -8.395 1.00 1.36 C ATOM 705 O SER A 50 -11.381 -6.083 -9.390 1.00 1.80 O ATOM 706 CB SER A 50 -14.490 -6.356 -9.113 1.00 3.10 C ATOM 707 OG SER A 50 -15.576 -5.585 -9.598 1.00 3.75 O ATOM 0 H SER A 50 -13.599 -4.140 -9.988 1.00 1.54 H new ATOM 0 HA SER A 50 -13.786 -5.359 -7.340 1.00 1.88 H new ATOM 0 HB2 SER A 50 -14.001 -6.864 -9.944 1.00 3.10 H new ATOM 0 HB3 SER A 50 -14.861 -7.129 -8.440 1.00 3.10 H new ATOM 0 HG SER A 50 -16.209 -6.169 -10.065 1.00 3.75 H new ATOM 713 N LYS A 51 -11.754 -6.785 -7.283 1.00 1.30 N ATOM 714 CA LYS A 51 -10.470 -7.471 -7.158 1.00 1.44 C ATOM 715 C LYS A 51 -10.567 -8.931 -7.591 1.00 1.28 C ATOM 716 O LYS A 51 -9.671 -9.727 -7.311 1.00 1.92 O ATOM 717 CB LYS A 51 -9.968 -7.404 -5.713 1.00 2.51 C ATOM 718 CG LYS A 51 -11.028 -7.740 -4.670 1.00 3.14 C ATOM 719 CD LYS A 51 -11.485 -9.188 -4.765 1.00 3.92 C ATOM 720 CE LYS A 51 -12.836 -9.305 -5.453 1.00 4.81 C ATOM 721 NZ LYS A 51 -13.949 -8.865 -4.567 1.00 5.56 N ATOM 0 H LYS A 51 -12.344 -6.843 -6.453 1.00 1.30 H new ATOM 0 HA LYS A 51 -9.766 -6.963 -7.816 1.00 1.44 H new ATOM 0 HB2 LYS A 51 -9.130 -8.092 -5.598 1.00 2.51 H new ATOM 0 HB3 LYS A 51 -9.587 -6.402 -5.518 1.00 2.51 H new ATOM 0 HG2 LYS A 51 -10.628 -7.551 -3.674 1.00 3.14 H new ATOM 0 HG3 LYS A 51 -11.886 -7.080 -4.800 1.00 3.14 H new ATOM 0 HD2 LYS A 51 -10.744 -9.768 -5.315 1.00 3.92 H new ATOM 0 HD3 LYS A 51 -11.547 -9.617 -3.765 1.00 3.92 H new ATOM 0 HE2 LYS A 51 -12.835 -8.702 -6.361 1.00 4.81 H new ATOM 0 HE3 LYS A 51 -13.001 -10.339 -5.757 1.00 4.81 H new ATOM 0 HZ1 LYS A 51 -14.859 -9.055 -5.033 1.00 5.56 H new ATOM 0 HZ2 LYS A 51 -13.905 -9.387 -3.669 1.00 5.56 H new ATOM 0 HZ3 LYS A 51 -13.862 -7.846 -4.380 1.00 5.56 H new ATOM 735 N LYS A 52 -11.656 -9.288 -8.260 1.00 1.49 N ATOM 736 CA LYS A 52 -11.855 -10.661 -8.702 1.00 1.90 C ATOM 737 C LYS A 52 -10.757 -11.144 -9.650 1.00 1.62 C ATOM 738 O LYS A 52 -10.321 -12.290 -9.546 1.00 1.82 O ATOM 739 CB LYS A 52 -13.216 -10.825 -9.369 1.00 3.09 C ATOM 740 CG LYS A 52 -13.775 -12.226 -9.211 1.00 3.90 C ATOM 741 CD LYS A 52 -13.427 -13.107 -10.401 1.00 4.54 C ATOM 742 CE LYS A 52 -12.328 -14.102 -10.057 1.00 4.56 C ATOM 743 NZ LYS A 52 -12.854 -15.490 -9.933 1.00 5.52 N ATOM 0 H LYS A 52 -12.411 -8.649 -8.507 1.00 1.49 H new ATOM 0 HA LYS A 52 -11.810 -11.279 -7.805 1.00 1.90 H new ATOM 0 HB2 LYS A 52 -13.916 -10.108 -8.940 1.00 3.09 H new ATOM 0 HB3 LYS A 52 -13.128 -10.590 -10.430 1.00 3.09 H new ATOM 0 HG2 LYS A 52 -13.381 -12.674 -8.299 1.00 3.90 H new ATOM 0 HG3 LYS A 52 -14.858 -12.175 -9.100 1.00 3.90 H new ATOM 0 HD2 LYS A 52 -14.316 -13.645 -10.729 1.00 4.54 H new ATOM 0 HD3 LYS A 52 -13.106 -12.483 -11.235 1.00 4.54 H new ATOM 0 HE2 LYS A 52 -11.558 -14.073 -10.828 1.00 4.56 H new ATOM 0 HE3 LYS A 52 -11.853 -13.809 -9.121 1.00 4.56 H new ATOM 0 HZ1 LYS A 52 -12.074 -16.137 -9.698 1.00 5.52 H new ATOM 0 HZ2 LYS A 52 -13.571 -15.524 -9.180 1.00 5.52 H new ATOM 0 HZ3 LYS A 52 -13.285 -15.780 -10.834 1.00 5.52 H new ATOM 757 N PRO A 53 -10.295 -10.299 -10.599 1.00 2.03 N ATOM 758 CA PRO A 53 -9.256 -10.679 -11.555 1.00 2.58 C ATOM 759 C PRO A 53 -8.246 -11.674 -10.986 1.00 2.36 C ATOM 760 O PRO A 53 -7.981 -12.711 -11.593 1.00 3.01 O ATOM 761 CB PRO A 53 -8.603 -9.339 -11.860 1.00 3.41 C ATOM 762 CG PRO A 53 -9.740 -8.371 -11.833 1.00 3.43 C ATOM 763 CD PRO A 53 -10.742 -8.909 -10.833 1.00 2.66 C ATOM 0 HA PRO A 53 -9.657 -11.196 -12.427 1.00 2.58 H new ATOM 0 HB2 PRO A 53 -7.845 -9.086 -11.119 1.00 3.41 H new ATOM 0 HB3 PRO A 53 -8.108 -9.347 -12.831 1.00 3.41 H new ATOM 0 HG2 PRO A 53 -9.397 -7.378 -11.542 1.00 3.43 H new ATOM 0 HG3 PRO A 53 -10.191 -8.275 -12.821 1.00 3.43 H new ATOM 0 HD2 PRO A 53 -10.739 -8.327 -9.911 1.00 2.66 H new ATOM 0 HD3 PRO A 53 -11.758 -8.876 -11.227 1.00 2.66 H new ATOM 771 N TYR A 54 -7.693 -11.361 -9.815 1.00 1.67 N ATOM 772 CA TYR A 54 -6.720 -12.245 -9.173 1.00 1.55 C ATOM 773 C TYR A 54 -6.151 -11.635 -7.901 1.00 1.14 C ATOM 774 O TYR A 54 -5.010 -11.915 -7.540 1.00 1.27 O ATOM 775 CB TYR A 54 -5.553 -12.527 -10.114 1.00 1.84 C ATOM 776 CG TYR A 54 -4.747 -13.748 -9.734 1.00 1.79 C ATOM 777 CD1 TYR A 54 -5.127 -15.015 -10.157 1.00 2.33 C ATOM 778 CD2 TYR A 54 -3.604 -13.632 -8.952 1.00 2.06 C ATOM 779 CE1 TYR A 54 -4.391 -16.133 -9.813 1.00 2.70 C ATOM 780 CE2 TYR A 54 -2.862 -14.744 -8.603 1.00 2.46 C ATOM 781 CZ TYR A 54 -3.260 -15.992 -9.036 1.00 2.61 C ATOM 782 OH TYR A 54 -2.524 -17.103 -8.691 1.00 3.24 O ATOM 0 H TYR A 54 -7.900 -10.509 -9.294 1.00 1.67 H new ATOM 0 HA TYR A 54 -7.251 -13.164 -8.927 1.00 1.55 H new ATOM 0 HB2 TYR A 54 -5.937 -12.657 -11.126 1.00 1.84 H new ATOM 0 HB3 TYR A 54 -4.894 -11.659 -10.132 1.00 1.84 H new ATOM 0 HD1 TYR A 54 -6.012 -15.129 -10.765 1.00 2.33 H new ATOM 0 HD2 TYR A 54 -3.291 -12.656 -8.611 1.00 2.06 H new ATOM 0 HE1 TYR A 54 -4.700 -17.111 -10.151 1.00 2.70 H new ATOM 0 HE2 TYR A 54 -1.976 -14.637 -7.995 1.00 2.46 H new ATOM 0 HH TYR A 54 -1.758 -16.831 -8.143 1.00 3.24 H new ATOM 792 N GLU A 55 -6.910 -10.794 -7.218 1.00 0.86 N ATOM 793 CA GLU A 55 -6.378 -10.183 -6.009 1.00 0.64 C ATOM 794 C GLU A 55 -7.484 -9.767 -5.046 1.00 0.77 C ATOM 795 O GLU A 55 -8.626 -10.208 -5.164 1.00 1.02 O ATOM 796 CB GLU A 55 -5.509 -8.969 -6.367 1.00 0.78 C ATOM 797 CG GLU A 55 -4.821 -9.069 -7.721 1.00 0.89 C ATOM 798 CD GLU A 55 -4.099 -7.792 -8.108 1.00 1.54 C ATOM 799 OE1 GLU A 55 -4.082 -6.847 -7.291 1.00 2.28 O ATOM 800 OE2 GLU A 55 -3.551 -7.737 -9.229 1.00 2.19 O ATOM 0 H GLU A 55 -7.862 -10.525 -7.466 1.00 0.86 H new ATOM 0 HA GLU A 55 -5.767 -10.932 -5.506 1.00 0.64 H new ATOM 0 HB2 GLU A 55 -6.132 -8.075 -6.354 1.00 0.78 H new ATOM 0 HB3 GLU A 55 -4.750 -8.840 -5.595 1.00 0.78 H new ATOM 0 HG2 GLU A 55 -4.108 -9.893 -7.701 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -5.562 -9.308 -8.484 1.00 0.89 H new ATOM 807 N GLU A 56 -7.131 -8.907 -4.094 1.00 0.77 N ATOM 808 CA GLU A 56 -8.084 -8.412 -3.108 1.00 1.00 C ATOM 809 C GLU A 56 -8.111 -6.887 -3.124 1.00 0.86 C ATOM 810 O GLU A 56 -7.219 -6.251 -3.686 1.00 0.99 O ATOM 811 CB GLU A 56 -7.717 -8.917 -1.711 1.00 1.32 C ATOM 812 CG GLU A 56 -8.890 -8.934 -0.744 1.00 1.68 C ATOM 813 CD GLU A 56 -8.978 -10.227 0.044 1.00 2.22 C ATOM 814 OE1 GLU A 56 -8.626 -11.287 -0.514 1.00 2.70 O ATOM 815 OE2 GLU A 56 -9.398 -10.179 1.219 1.00 2.84 O ATOM 0 H GLU A 56 -6.186 -8.538 -3.986 1.00 0.77 H new ATOM 0 HA GLU A 56 -9.075 -8.786 -3.364 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -7.310 -9.925 -1.793 1.00 1.32 H new ATOM 0 HB3 GLU A 56 -6.928 -8.287 -1.301 1.00 1.32 H new ATOM 0 HG2 GLU A 56 -8.798 -8.097 -0.052 1.00 1.68 H new ATOM 0 HG3 GLU A 56 -9.816 -8.788 -1.300 1.00 1.68 H new ATOM 822 N VAL A 57 -9.132 -6.302 -2.509 1.00 0.79 N ATOM 823 CA VAL A 57 -9.254 -4.850 -2.466 1.00 0.80 C ATOM 824 C VAL A 57 -10.355 -4.410 -1.508 1.00 0.82 C ATOM 825 O VAL A 57 -11.534 -4.685 -1.729 1.00 0.96 O ATOM 826 CB VAL A 57 -9.535 -4.263 -3.867 1.00 0.96 C ATOM 827 CG1 VAL A 57 -10.916 -4.669 -4.364 1.00 1.52 C ATOM 828 CG2 VAL A 57 -9.393 -2.749 -3.845 1.00 1.30 C ATOM 0 H VAL A 57 -9.882 -6.806 -2.036 1.00 0.79 H new ATOM 0 HA VAL A 57 -8.298 -4.469 -2.107 1.00 0.80 H new ATOM 0 HB VAL A 57 -8.799 -4.670 -4.560 1.00 0.96 H new ATOM 0 HG11 VAL A 57 -11.087 -4.242 -5.352 1.00 1.52 H new ATOM 0 HG12 VAL A 57 -10.977 -5.756 -4.423 1.00 1.52 H new ATOM 0 HG13 VAL A 57 -11.674 -4.300 -3.673 1.00 1.52 H new ATOM 0 HG21 VAL A 57 -9.594 -2.350 -4.839 1.00 1.30 H new ATOM 0 HG22 VAL A 57 -10.104 -2.327 -3.134 1.00 1.30 H new ATOM 0 HG23 VAL A 57 -8.379 -2.483 -3.546 1.00 1.30 H new ATOM 838 N THR A 58 -9.964 -3.717 -0.446 1.00 0.78 N ATOM 839 CA THR A 58 -10.924 -3.231 0.535 1.00 0.84 C ATOM 840 C THR A 58 -11.253 -1.766 0.275 1.00 0.73 C ATOM 841 O THR A 58 -10.422 -0.884 0.492 1.00 0.97 O ATOM 842 CB THR A 58 -10.380 -3.402 1.953 1.00 0.94 C ATOM 843 OG1 THR A 58 -9.360 -4.385 1.985 1.00 1.14 O ATOM 844 CG2 THR A 58 -11.439 -3.807 2.955 1.00 1.12 C ATOM 0 H THR A 58 -8.993 -3.480 -0.243 1.00 0.78 H new ATOM 0 HA THR A 58 -11.836 -3.820 0.440 1.00 0.84 H new ATOM 0 HB THR A 58 -9.993 -2.422 2.233 1.00 0.94 H new ATOM 0 HG1 THR A 58 -9.024 -4.478 2.901 1.00 1.14 H new ATOM 0 HG21 THR A 58 -10.986 -3.911 3.941 1.00 1.12 H new ATOM 0 HG22 THR A 58 -12.216 -3.044 2.992 1.00 1.12 H new ATOM 0 HG23 THR A 58 -11.879 -4.758 2.655 1.00 1.12 H new ATOM 852 N CYS A 59 -12.467 -1.517 -0.199 1.00 0.73 N ATOM 853 CA CYS A 59 -12.909 -0.160 -0.500 1.00 0.70 C ATOM 854 C CYS A 59 -13.550 0.488 0.723 1.00 0.66 C ATOM 855 O CYS A 59 -14.604 0.055 1.189 1.00 0.74 O ATOM 856 CB CYS A 59 -13.901 -0.167 -1.668 1.00 0.87 C ATOM 857 SG CYS A 59 -13.510 -1.374 -2.979 1.00 1.21 S ATOM 0 H CYS A 59 -13.165 -2.238 -0.384 1.00 0.73 H new ATOM 0 HA CYS A 59 -12.033 0.424 -0.782 1.00 0.70 H new ATOM 0 HB2 CYS A 59 -14.898 -0.379 -1.281 1.00 0.87 H new ATOM 0 HB3 CYS A 59 -13.934 0.830 -2.107 1.00 0.87 H new ATOM 862 N CYS A 60 -12.903 1.529 1.239 1.00 0.59 N ATOM 863 CA CYS A 60 -13.404 2.240 2.410 1.00 0.58 C ATOM 864 C CYS A 60 -13.363 3.751 2.178 1.00 0.60 C ATOM 865 O CYS A 60 -12.552 4.239 1.391 1.00 0.81 O ATOM 866 CB CYS A 60 -12.585 1.848 3.639 1.00 0.57 C ATOM 867 SG CYS A 60 -10.832 2.318 3.548 1.00 0.60 S ATOM 0 H CYS A 60 -12.030 1.899 0.864 1.00 0.59 H new ATOM 0 HA CYS A 60 -14.443 1.960 2.582 1.00 0.58 H new ATOM 0 HB2 CYS A 60 -13.028 2.312 4.520 1.00 0.57 H new ATOM 0 HB3 CYS A 60 -12.653 0.769 3.778 1.00 0.57 H new ATOM 872 N SER A 61 -14.260 4.487 2.837 1.00 0.65 N ATOM 873 CA SER A 61 -14.328 5.938 2.656 1.00 0.70 C ATOM 874 C SER A 61 -14.190 6.715 3.969 1.00 0.60 C ATOM 875 O SER A 61 -14.982 7.616 4.247 1.00 0.89 O ATOM 876 CB SER A 61 -15.645 6.313 1.974 1.00 0.97 C ATOM 877 OG SER A 61 -16.720 6.297 2.896 1.00 1.57 O ATOM 0 H SER A 61 -14.942 4.108 3.494 1.00 0.65 H new ATOM 0 HA SER A 61 -13.480 6.218 2.030 1.00 0.70 H new ATOM 0 HB2 SER A 61 -15.558 7.304 1.529 1.00 0.97 H new ATOM 0 HB3 SER A 61 -15.849 5.616 1.161 1.00 0.97 H new ATOM 0 HG SER A 61 -16.550 6.949 3.608 1.00 1.57 H new ATOM 883 N THR A 62 -13.173 6.389 4.760 1.00 0.53 N ATOM 884 CA THR A 62 -12.934 7.089 6.016 1.00 0.57 C ATOM 885 C THR A 62 -11.464 7.488 6.122 1.00 0.73 C ATOM 886 O THR A 62 -10.600 6.848 5.523 1.00 0.83 O ATOM 887 CB THR A 62 -13.347 6.224 7.203 1.00 0.70 C ATOM 888 OG1 THR A 62 -12.920 4.886 7.033 1.00 1.10 O ATOM 889 CG2 THR A 62 -14.843 6.201 7.431 1.00 1.27 C ATOM 0 H THR A 62 -12.504 5.647 4.554 1.00 0.53 H new ATOM 0 HA THR A 62 -13.542 7.994 6.032 1.00 0.57 H new ATOM 0 HB THR A 62 -12.866 6.680 8.068 1.00 0.70 H new ATOM 0 HG1 THR A 62 -13.196 4.354 7.808 1.00 1.10 H new ATOM 0 HG21 THR A 62 -15.071 5.569 8.289 1.00 1.27 H new ATOM 0 HG22 THR A 62 -15.197 7.214 7.623 1.00 1.27 H new ATOM 0 HG23 THR A 62 -15.340 5.804 6.546 1.00 1.27 H new ATOM 897 N ASP A 63 -11.187 8.558 6.871 1.00 0.92 N ATOM 898 CA ASP A 63 -9.824 9.056 7.039 1.00 1.23 C ATOM 899 C ASP A 63 -8.822 7.917 7.163 1.00 1.08 C ATOM 900 O ASP A 63 -8.941 7.062 8.041 1.00 1.57 O ATOM 901 CB ASP A 63 -9.738 9.959 8.270 1.00 1.70 C ATOM 902 CG ASP A 63 -10.547 11.232 8.113 1.00 2.00 C ATOM 903 OD1 ASP A 63 -10.378 11.919 7.083 1.00 2.31 O ATOM 904 OD2 ASP A 63 -11.349 11.541 9.018 1.00 2.45 O ATOM 0 H ASP A 63 -11.894 9.097 7.372 1.00 0.92 H new ATOM 0 HA ASP A 63 -9.572 9.632 6.148 1.00 1.23 H new ATOM 0 HB2 ASP A 63 -10.093 9.412 9.144 1.00 1.70 H new ATOM 0 HB3 ASP A 63 -8.695 10.216 8.457 1.00 1.70 H new ATOM 909 N LYS A 64 -7.836 7.925 6.266 1.00 0.65 N ATOM 910 CA LYS A 64 -6.781 6.904 6.232 1.00 0.67 C ATOM 911 C LYS A 64 -7.292 5.558 6.729 1.00 0.58 C ATOM 912 O LYS A 64 -6.751 4.974 7.669 1.00 0.67 O ATOM 913 CB LYS A 64 -5.577 7.350 7.053 1.00 0.96 C ATOM 914 CG LYS A 64 -5.939 8.123 8.305 1.00 0.99 C ATOM 915 CD LYS A 64 -5.066 7.709 9.464 1.00 1.44 C ATOM 916 CE LYS A 64 -5.124 8.726 10.589 1.00 1.83 C ATOM 917 NZ LYS A 64 -3.787 8.960 11.200 1.00 2.34 N ATOM 0 H LYS A 64 -7.743 8.637 5.542 1.00 0.65 H new ATOM 0 HA LYS A 64 -6.473 6.782 5.194 1.00 0.67 H new ATOM 0 HB2 LYS A 64 -4.997 6.472 7.335 1.00 0.96 H new ATOM 0 HB3 LYS A 64 -4.933 7.970 6.429 1.00 0.96 H new ATOM 0 HG2 LYS A 64 -5.826 9.192 8.123 1.00 0.99 H new ATOM 0 HG3 LYS A 64 -6.986 7.951 8.554 1.00 0.99 H new ATOM 0 HD2 LYS A 64 -5.387 6.735 9.834 1.00 1.44 H new ATOM 0 HD3 LYS A 64 -4.036 7.597 9.125 1.00 1.44 H new ATOM 0 HE2 LYS A 64 -5.517 9.668 10.206 1.00 1.83 H new ATOM 0 HE3 LYS A 64 -5.817 8.379 11.356 1.00 1.83 H new ATOM 0 HZ1 LYS A 64 -3.872 9.661 11.964 1.00 2.34 H new ATOM 0 HZ2 LYS A 64 -3.422 8.067 11.589 1.00 2.34 H new ATOM 0 HZ3 LYS A 64 -3.132 9.316 10.475 1.00 2.34 H new ATOM 931 N CYS A 65 -8.349 5.084 6.088 1.00 0.47 N ATOM 932 CA CYS A 65 -8.967 3.818 6.448 1.00 0.47 C ATOM 933 C CYS A 65 -8.304 2.635 5.737 1.00 0.45 C ATOM 934 O CYS A 65 -8.829 1.521 5.761 1.00 0.56 O ATOM 935 CB CYS A 65 -10.451 3.855 6.120 1.00 0.51 C ATOM 936 SG CYS A 65 -10.804 4.168 4.369 1.00 0.58 S ATOM 0 H CYS A 65 -8.800 5.563 5.308 1.00 0.47 H new ATOM 0 HA CYS A 65 -8.830 3.677 7.520 1.00 0.47 H new ATOM 0 HB2 CYS A 65 -10.901 2.905 6.408 1.00 0.51 H new ATOM 0 HB3 CYS A 65 -10.928 4.629 6.721 1.00 0.51 H new ATOM 941 N ASN A 66 -7.148 2.870 5.113 1.00 0.42 N ATOM 942 CA ASN A 66 -6.431 1.806 4.414 1.00 0.44 C ATOM 943 C ASN A 66 -5.116 1.475 5.115 1.00 0.52 C ATOM 944 O ASN A 66 -4.043 1.603 4.526 1.00 0.76 O ATOM 945 CB ASN A 66 -6.149 2.205 2.964 1.00 0.44 C ATOM 946 CG ASN A 66 -5.505 3.570 2.846 1.00 0.54 C ATOM 947 OD1 ASN A 66 -5.703 4.442 3.691 1.00 0.99 O ATOM 948 ND2 ASN A 66 -4.729 3.760 1.787 1.00 0.42 N ATOM 0 H ASN A 66 -6.692 3.782 5.078 1.00 0.42 H new ATOM 0 HA ASN A 66 -7.067 0.921 4.425 1.00 0.44 H new ATOM 0 HB2 ASN A 66 -5.497 1.460 2.507 1.00 0.44 H new ATOM 0 HB3 ASN A 66 -7.083 2.199 2.402 1.00 0.44 H new ATOM 0 HD21 ASN A 66 -4.267 4.659 1.648 1.00 0.42 H new ATOM 0 HD22 ASN A 66 -4.594 3.007 1.112 1.00 0.42 H new ATOM 955 N PRO A 67 -5.173 1.040 6.384 1.00 0.55 N ATOM 956 CA PRO A 67 -3.977 0.691 7.148 1.00 0.64 C ATOM 957 C PRO A 67 -3.487 -0.717 6.824 1.00 0.70 C ATOM 958 O PRO A 67 -4.181 -1.484 6.156 1.00 1.18 O ATOM 959 CB PRO A 67 -4.480 0.777 8.582 1.00 0.70 C ATOM 960 CG PRO A 67 -5.881 0.294 8.485 1.00 0.88 C ATOM 961 CD PRO A 67 -6.402 0.847 7.184 1.00 0.76 C ATOM 0 HA PRO A 67 -3.125 1.337 6.935 1.00 0.64 H new ATOM 0 HB2 PRO A 67 -3.887 0.157 9.254 1.00 0.70 H new ATOM 0 HB3 PRO A 67 -4.432 1.797 8.964 1.00 0.70 H new ATOM 0 HG2 PRO A 67 -5.923 -0.795 8.495 1.00 0.88 H new ATOM 0 HG3 PRO A 67 -6.477 0.644 9.328 1.00 0.88 H new ATOM 0 HD2 PRO A 67 -7.093 0.156 6.701 1.00 0.76 H new ATOM 0 HD3 PRO A 67 -6.939 1.784 7.331 1.00 0.76 H new ATOM 969 N HIS A 68 -2.289 -1.052 7.288 1.00 0.58 N ATOM 970 CA HIS A 68 -1.719 -2.372 7.024 1.00 0.64 C ATOM 971 C HIS A 68 -2.199 -3.412 8.037 1.00 0.58 C ATOM 972 O HIS A 68 -2.565 -3.074 9.163 1.00 0.80 O ATOM 973 CB HIS A 68 -0.189 -2.312 7.008 1.00 1.02 C ATOM 974 CG HIS A 68 0.388 -2.653 5.671 1.00 0.64 C ATOM 975 ND1 HIS A 68 0.480 -1.742 4.641 1.00 1.06 N ATOM 976 CD2 HIS A 68 0.854 -3.826 5.176 1.00 1.40 C ATOM 977 CE1 HIS A 68 0.968 -2.339 3.572 1.00 0.97 C ATOM 978 NE2 HIS A 68 1.202 -3.606 3.869 1.00 1.26 N ATOM 0 H HIS A 68 -1.696 -0.436 7.844 1.00 0.58 H new ATOM 0 HA HIS A 68 -2.068 -2.682 6.039 1.00 0.64 H new ATOM 0 HB2 HIS A 68 0.134 -1.311 7.294 1.00 1.02 H new ATOM 0 HB3 HIS A 68 0.205 -3.000 7.756 1.00 1.02 H new ATOM 0 HD1 HIS A 68 0.212 -0.759 4.697 1.00 1.06 H new ATOM 0 HD2 HIS A 68 0.936 -4.760 5.712 1.00 1.40 H new ATOM 0 HE1 HIS A 68 1.147 -1.872 2.615 1.00 0.97 H new ATOM 987 N PRO A 69 -2.204 -4.702 7.639 1.00 0.63 N ATOM 988 CA PRO A 69 -2.636 -5.803 8.489 1.00 0.79 C ATOM 989 C PRO A 69 -1.499 -6.349 9.343 1.00 0.80 C ATOM 990 O PRO A 69 -1.535 -6.261 10.571 1.00 1.01 O ATOM 991 CB PRO A 69 -3.110 -6.867 7.485 1.00 0.92 C ATOM 992 CG PRO A 69 -2.704 -6.378 6.124 1.00 0.97 C ATOM 993 CD PRO A 69 -1.791 -5.199 6.328 1.00 0.87 C ATOM 0 HA PRO A 69 -3.406 -5.495 9.197 1.00 0.79 H new ATOM 0 HB2 PRO A 69 -2.656 -7.834 7.701 1.00 0.92 H new ATOM 0 HB3 PRO A 69 -4.190 -7.002 7.543 1.00 0.92 H new ATOM 0 HG2 PRO A 69 -2.196 -7.166 5.568 1.00 0.97 H new ATOM 0 HG3 PRO A 69 -3.579 -6.090 5.542 1.00 0.97 H new ATOM 0 HD2 PRO A 69 -0.741 -5.492 6.317 1.00 0.87 H new ATOM 0 HD3 PRO A 69 -1.920 -4.447 5.550 1.00 0.87 H new ATOM 1001 N LYS A 70 -0.484 -6.908 8.689 1.00 0.70 N ATOM 1002 CA LYS A 70 0.661 -7.456 9.400 1.00 0.85 C ATOM 1003 C LYS A 70 1.475 -6.332 10.029 1.00 0.90 C ATOM 1004 O LYS A 70 2.096 -6.510 11.077 1.00 1.12 O ATOM 1005 CB LYS A 70 1.531 -8.285 8.454 1.00 0.92 C ATOM 1006 CG LYS A 70 1.399 -9.784 8.676 1.00 1.45 C ATOM 1007 CD LYS A 70 1.805 -10.183 10.088 1.00 2.14 C ATOM 1008 CE LYS A 70 3.201 -9.687 10.432 1.00 2.55 C ATOM 1009 NZ LYS A 70 3.622 -10.113 11.794 1.00 3.54 N ATOM 0 H LYS A 70 -0.433 -6.992 7.674 1.00 0.70 H new ATOM 0 HA LYS A 70 0.300 -8.110 10.194 1.00 0.85 H new ATOM 0 HB2 LYS A 70 1.261 -8.052 7.424 1.00 0.92 H new ATOM 0 HB3 LYS A 70 2.574 -7.996 8.583 1.00 0.92 H new ATOM 0 HG2 LYS A 70 0.369 -10.089 8.494 1.00 1.45 H new ATOM 0 HG3 LYS A 70 2.021 -10.315 7.955 1.00 1.45 H new ATOM 0 HD2 LYS A 70 1.088 -9.777 10.802 1.00 2.14 H new ATOM 0 HD3 LYS A 70 1.770 -11.268 10.184 1.00 2.14 H new ATOM 0 HE2 LYS A 70 3.912 -10.066 9.697 1.00 2.55 H new ATOM 0 HE3 LYS A 70 3.226 -8.599 10.368 1.00 2.55 H new ATOM 0 HZ1 LYS A 70 4.579 -9.755 11.990 1.00 3.54 H new ATOM 0 HZ2 LYS A 70 2.959 -9.731 12.498 1.00 3.54 H new ATOM 0 HZ3 LYS A 70 3.624 -11.152 11.848 1.00 3.54 H new ATOM 1023 N GLN A 71 1.460 -5.171 9.381 1.00 0.77 N ATOM 1024 CA GLN A 71 2.189 -4.009 9.873 1.00 0.90 C ATOM 1025 C GLN A 71 1.249 -2.993 10.509 1.00 1.04 C ATOM 1026 O GLN A 71 0.471 -2.332 9.822 1.00 1.73 O ATOM 1027 CB GLN A 71 2.967 -3.353 8.736 1.00 0.92 C ATOM 1028 CG GLN A 71 4.397 -3.836 8.650 1.00 1.14 C ATOM 1029 CD GLN A 71 5.229 -3.039 7.664 1.00 1.44 C ATOM 1030 OE1 GLN A 71 5.199 -3.293 6.460 1.00 2.18 O ATOM 1031 NE2 GLN A 71 5.978 -2.067 8.173 1.00 1.78 N ATOM 0 H GLN A 71 0.950 -5.011 8.512 1.00 0.77 H new ATOM 0 HA GLN A 71 2.886 -4.353 10.637 1.00 0.90 H new ATOM 0 HB2 GLN A 71 2.462 -3.556 7.792 1.00 0.92 H new ATOM 0 HB3 GLN A 71 2.961 -2.272 8.874 1.00 0.92 H new ATOM 0 HG2 GLN A 71 4.856 -3.776 9.637 1.00 1.14 H new ATOM 0 HG3 GLN A 71 4.404 -4.886 8.358 1.00 1.14 H new ATOM 0 HE21 GLN A 71 5.972 -1.891 9.178 1.00 1.78 H new ATOM 0 HE22 GLN A 71 6.559 -1.496 7.559 1.00 1.78 H new ATOM 1040 N ARG A 72 1.331 -2.872 11.829 1.00 1.04 N ATOM 1041 CA ARG A 72 0.497 -1.937 12.569 1.00 1.18 C ATOM 1042 C ARG A 72 0.744 -2.070 14.073 1.00 1.38 C ATOM 1043 O ARG A 72 1.004 -1.079 14.756 1.00 1.93 O ATOM 1044 CB ARG A 72 -0.985 -2.169 12.236 1.00 1.57 C ATOM 1045 CG ARG A 72 -1.894 -2.233 13.452 1.00 2.59 C ATOM 1046 CD ARG A 72 -3.357 -2.070 13.069 1.00 3.31 C ATOM 1047 NE ARG A 72 -3.798 -3.099 12.131 1.00 3.83 N ATOM 1048 CZ ARG A 72 -4.936 -3.034 11.442 1.00 4.71 C ATOM 1049 NH1 ARG A 72 -5.744 -1.990 11.580 1.00 5.03 N ATOM 1050 NH2 ARG A 72 -5.267 -4.015 10.614 1.00 5.55 N ATOM 0 H ARG A 72 1.971 -3.414 12.410 1.00 1.04 H new ATOM 0 HA ARG A 72 0.762 -0.922 12.272 1.00 1.18 H new ATOM 0 HB2 ARG A 72 -1.328 -1.368 11.581 1.00 1.57 H new ATOM 0 HB3 ARG A 72 -1.079 -3.100 11.677 1.00 1.57 H new ATOM 0 HG2 ARG A 72 -1.755 -3.187 13.961 1.00 2.59 H new ATOM 0 HG3 ARG A 72 -1.613 -1.451 14.158 1.00 2.59 H new ATOM 0 HD2 ARG A 72 -3.973 -2.111 13.967 1.00 3.31 H new ATOM 0 HD3 ARG A 72 -3.507 -1.086 12.624 1.00 3.31 H new ATOM 0 HE ARG A 72 -3.200 -3.914 11.996 1.00 3.83 H new ATOM 0 HH11 ARG A 72 -5.495 -1.233 12.216 1.00 5.03 H new ATOM 0 HH12 ARG A 72 -6.614 -1.945 11.050 1.00 5.03 H new ATOM 0 HH21 ARG A 72 -4.650 -4.820 10.504 1.00 5.55 H new ATOM 0 HH22 ARG A 72 -6.139 -3.965 10.087 1.00 5.55 H new ATOM 1064 N PRO A 73 0.658 -3.300 14.613 1.00 1.95 N ATOM 1065 CA PRO A 73 0.864 -3.554 16.033 1.00 2.61 C ATOM 1066 C PRO A 73 2.325 -3.831 16.370 1.00 2.96 C ATOM 1067 O PRO A 73 2.645 -4.831 17.014 1.00 3.63 O ATOM 1068 CB PRO A 73 0.010 -4.795 16.269 1.00 3.41 C ATOM 1069 CG PRO A 73 0.060 -5.549 14.978 1.00 3.64 C ATOM 1070 CD PRO A 73 0.347 -4.544 13.884 1.00 2.71 C ATOM 0 HA PRO A 73 0.597 -2.700 16.656 1.00 2.61 H new ATOM 0 HB2 PRO A 73 0.402 -5.394 17.091 1.00 3.41 H new ATOM 0 HB3 PRO A 73 -1.014 -4.526 16.530 1.00 3.41 H new ATOM 0 HG2 PRO A 73 0.835 -6.315 15.010 1.00 3.64 H new ATOM 0 HG3 PRO A 73 -0.885 -6.059 14.793 1.00 3.64 H new ATOM 0 HD2 PRO A 73 1.183 -4.861 13.261 1.00 2.71 H new ATOM 0 HD3 PRO A 73 -0.511 -4.416 13.225 1.00 2.71 H new ATOM 1078 N GLY A 74 3.208 -2.940 15.932 1.00 3.03 N ATOM 1079 CA GLY A 74 4.624 -3.107 16.199 1.00 3.85 C ATOM 1080 C GLY A 74 4.971 -2.875 17.656 1.00 4.62 C ATOM 1081 O GLY A 74 4.620 -3.733 18.494 1.00 4.87 O ATOM 1082 OXT GLY A 74 5.595 -1.837 17.960 1.00 5.27 O ATOM 0 H GLY A 74 2.968 -2.105 15.397 1.00 3.03 H new ATOM 0 HA2 GLY A 74 4.928 -4.114 15.912 1.00 3.85 H new ATOM 0 HA3 GLY A 74 5.192 -2.413 15.579 1.00 3.85 H new TER 1086 GLY A 74 ATOM 1087 N GLU B 180 19.609 14.661 -0.165 1.00 3.97 N ATOM 1088 CA GLU B 180 20.342 15.308 -1.284 1.00 3.53 C ATOM 1089 C GLU B 180 19.697 14.981 -2.627 1.00 3.10 C ATOM 1090 O GLU B 180 19.586 15.842 -3.500 1.00 3.43 O ATOM 1091 CB GLU B 180 21.792 14.821 -1.263 1.00 3.83 C ATOM 1092 CG GLU B 180 22.649 15.415 -2.369 1.00 4.28 C ATOM 1093 CD GLU B 180 24.100 15.576 -1.960 1.00 4.87 C ATOM 1094 OE1 GLU B 180 24.859 14.590 -2.063 1.00 5.48 O ATOM 1095 OE2 GLU B 180 24.477 16.689 -1.535 1.00 5.11 O ATOM 0 HA GLU B 180 20.307 16.390 -1.157 1.00 3.53 H new ATOM 0 HB2 GLU B 180 22.236 15.068 -0.299 1.00 3.83 H new ATOM 0 HB3 GLU B 180 21.803 13.735 -1.350 1.00 3.83 H new ATOM 0 HG2 GLU B 180 22.593 14.776 -3.250 1.00 4.28 H new ATOM 0 HG3 GLU B 180 22.246 16.387 -2.654 1.00 4.28 H new ATOM 1104 N GLU B 181 19.273 13.731 -2.785 1.00 2.96 N ATOM 1105 CA GLU B 181 18.639 13.292 -4.022 1.00 2.99 C ATOM 1106 C GLU B 181 17.119 13.335 -3.900 1.00 2.41 C ATOM 1107 O GLU B 181 16.473 14.258 -4.396 1.00 2.87 O ATOM 1108 CB GLU B 181 19.096 11.876 -4.380 1.00 3.93 C ATOM 1109 CG GLU B 181 20.396 11.838 -5.167 1.00 4.82 C ATOM 1110 CD GLU B 181 20.179 11.540 -6.638 1.00 5.70 C ATOM 1111 OE1 GLU B 181 19.328 10.681 -6.950 1.00 6.17 O ATOM 1112 OE2 GLU B 181 20.861 12.165 -7.477 1.00 6.23 O ATOM 0 H GLU B 181 19.357 13.006 -2.073 1.00 2.96 H new ATOM 0 HA GLU B 181 18.940 13.974 -4.817 1.00 2.99 H new ATOM 0 HB2 GLU B 181 19.219 11.300 -3.463 1.00 3.93 H new ATOM 0 HB3 GLU B 181 18.314 11.387 -4.961 1.00 3.93 H new ATOM 0 HG2 GLU B 181 20.906 12.796 -5.066 1.00 4.82 H new ATOM 0 HG3 GLU B 181 21.053 11.080 -4.740 1.00 4.82 H new ATOM 1119 N ARG B 182 16.553 12.330 -3.237 1.00 2.12 N ATOM 1120 CA ARG B 182 15.109 12.253 -3.051 1.00 2.22 C ATOM 1121 C ARG B 182 14.393 12.158 -4.394 1.00 2.13 C ATOM 1122 O ARG B 182 14.488 13.061 -5.225 1.00 2.73 O ATOM 1123 CB ARG B 182 14.606 13.470 -2.274 1.00 3.14 C ATOM 1124 CG ARG B 182 14.629 13.278 -0.767 1.00 3.73 C ATOM 1125 CD ARG B 182 16.047 13.092 -0.248 1.00 4.05 C ATOM 1126 NE ARG B 182 16.374 14.050 0.805 1.00 4.38 N ATOM 1127 CZ ARG B 182 17.383 13.897 1.659 1.00 4.93 C ATOM 1128 NH1 ARG B 182 18.164 12.826 1.590 1.00 5.25 N ATOM 1129 NH2 ARG B 182 17.612 14.817 2.586 1.00 5.56 N ATOM 0 H ARG B 182 17.073 11.558 -2.820 1.00 2.12 H new ATOM 0 HA ARG B 182 14.889 11.352 -2.478 1.00 2.22 H new ATOM 0 HB2 ARG B 182 15.218 14.334 -2.532 1.00 3.14 H new ATOM 0 HB3 ARG B 182 13.587 13.696 -2.588 1.00 3.14 H new ATOM 0 HG2 ARG B 182 14.174 14.142 -0.283 1.00 3.73 H new ATOM 0 HG3 ARG B 182 14.027 12.409 -0.501 1.00 3.73 H new ATOM 0 HD2 ARG B 182 16.163 12.078 0.135 1.00 4.05 H new ATOM 0 HD3 ARG B 182 16.752 13.204 -1.072 1.00 4.05 H new ATOM 0 HE ARG B 182 15.795 14.885 0.891 1.00 4.38 H new ATOM 0 HH11 ARG B 182 17.992 12.115 0.880 1.00 5.25 H new ATOM 0 HH12 ARG B 182 18.936 12.714 2.247 1.00 5.25 H new ATOM 0 HH21 ARG B 182 17.015 15.642 2.644 1.00 5.56 H new ATOM 0 HH22 ARG B 182 18.385 14.700 3.241 1.00 5.56 H new ATOM 1143 N GLY B 183 13.677 11.058 -4.601 1.00 1.82 N ATOM 1144 CA GLY B 183 12.960 10.866 -5.846 1.00 2.12 C ATOM 1145 C GLY B 183 11.485 11.193 -5.726 1.00 1.67 C ATOM 1146 O GLY B 183 11.113 12.344 -5.499 1.00 1.99 O ATOM 0 H GLY B 183 13.581 10.297 -3.929 1.00 1.82 H new ATOM 0 HA2 GLY B 183 13.406 11.493 -6.618 1.00 2.12 H new ATOM 0 HA3 GLY B 183 13.074 9.832 -6.171 1.00 2.12 H new ATOM 1150 N TRP B 184 10.643 10.178 -5.888 1.00 1.27 N ATOM 1151 CA TRP B 184 9.198 10.364 -5.806 1.00 1.21 C ATOM 1152 C TRP B 184 8.571 9.467 -4.728 1.00 1.08 C ATOM 1153 O TRP B 184 8.890 9.604 -3.547 1.00 1.28 O ATOM 1154 CB TRP B 184 8.559 10.132 -7.180 1.00 1.60 C ATOM 1155 CG TRP B 184 9.134 8.976 -7.957 1.00 1.80 C ATOM 1156 CD1 TRP B 184 9.212 8.895 -9.317 1.00 2.08 C ATOM 1157 CD2 TRP B 184 9.703 7.747 -7.451 1.00 2.17 C ATOM 1158 NE1 TRP B 184 9.786 7.709 -9.693 1.00 2.44 N ATOM 1159 CE2 TRP B 184 10.097 6.987 -8.573 1.00 2.61 C ATOM 1160 CE3 TRP B 184 9.925 7.208 -6.171 1.00 2.48 C ATOM 1161 CZ2 TRP B 184 10.691 5.734 -8.458 1.00 3.28 C ATOM 1162 CZ3 TRP B 184 10.516 5.963 -6.067 1.00 3.23 C ATOM 1163 CH2 TRP B 184 10.892 5.239 -7.202 1.00 3.61 C ATOM 0 H TRP B 184 10.935 9.219 -6.077 1.00 1.27 H new ATOM 0 HA TRP B 184 9.001 11.393 -5.507 1.00 1.21 H new ATOM 0 HB2 TRP B 184 7.490 9.965 -7.045 1.00 1.60 H new ATOM 0 HB3 TRP B 184 8.667 11.040 -7.773 1.00 1.60 H new ATOM 0 HD1 TRP B 184 8.870 9.658 -10.000 1.00 2.08 H new ATOM 0 HE1 TRP B 184 9.955 7.412 -10.654 1.00 2.44 H new ATOM 0 HE3 TRP B 184 9.639 7.757 -5.286 1.00 2.48 H new ATOM 0 HZ2 TRP B 184 10.983 5.172 -9.333 1.00 3.28 H new ATOM 0 HZ3 TRP B 184 10.691 5.541 -5.088 1.00 3.23 H new ATOM 0 HH2 TRP B 184 11.351 4.269 -7.083 1.00 3.61 H new ATOM 1174 N LYS B 185 7.679 8.556 -5.126 1.00 0.87 N ATOM 1175 CA LYS B 185 7.026 7.665 -4.176 1.00 0.81 C ATOM 1176 C LYS B 185 6.856 6.253 -4.760 1.00 0.73 C ATOM 1177 O LYS B 185 6.020 6.036 -5.638 1.00 0.77 O ATOM 1178 CB LYS B 185 5.662 8.252 -3.786 1.00 0.91 C ATOM 1179 CG LYS B 185 5.554 8.683 -2.334 1.00 1.06 C ATOM 1180 CD LYS B 185 4.131 9.062 -1.983 1.00 1.23 C ATOM 1181 CE LYS B 185 3.912 10.563 -2.072 1.00 1.67 C ATOM 1182 NZ LYS B 185 2.846 11.027 -1.140 1.00 2.17 N ATOM 0 H LYS B 185 7.396 8.420 -6.097 1.00 0.87 H new ATOM 0 HA LYS B 185 7.654 7.579 -3.289 1.00 0.81 H new ATOM 0 HB2 LYS B 185 5.455 9.112 -4.423 1.00 0.91 H new ATOM 0 HB3 LYS B 185 4.890 7.510 -3.990 1.00 0.91 H new ATOM 0 HG2 LYS B 185 5.889 7.874 -1.685 1.00 1.06 H new ATOM 0 HG3 LYS B 185 6.215 9.531 -2.153 1.00 1.06 H new ATOM 0 HD2 LYS B 185 3.442 8.553 -2.657 1.00 1.23 H new ATOM 0 HD3 LYS B 185 3.901 8.720 -0.974 1.00 1.23 H new ATOM 0 HE2 LYS B 185 4.844 11.080 -1.843 1.00 1.67 H new ATOM 0 HE3 LYS B 185 3.642 10.830 -3.094 1.00 1.67 H new ATOM 0 HZ1 LYS B 185 2.728 12.056 -1.232 1.00 2.17 H new ATOM 0 HZ2 LYS B 185 1.950 10.554 -1.374 1.00 2.17 H new ATOM 0 HZ3 LYS B 185 3.115 10.795 -0.162 1.00 2.17 H new ATOM 1196 N HIS B 186 7.636 5.293 -4.254 1.00 0.67 N ATOM 1197 CA HIS B 186 7.552 3.899 -4.706 1.00 0.65 C ATOM 1198 C HIS B 186 7.703 2.928 -3.522 1.00 0.60 C ATOM 1199 O HIS B 186 8.680 2.988 -2.780 1.00 0.71 O ATOM 1200 CB HIS B 186 8.622 3.616 -5.763 1.00 0.73 C ATOM 1201 CG HIS B 186 8.388 2.351 -6.533 1.00 0.80 C ATOM 1202 ND1 HIS B 186 8.122 1.138 -5.933 1.00 1.45 N ATOM 1203 CD2 HIS B 186 8.382 2.117 -7.868 1.00 1.34 C ATOM 1204 CE1 HIS B 186 7.963 0.214 -6.864 1.00 1.31 C ATOM 1205 NE2 HIS B 186 8.115 0.782 -8.045 1.00 1.12 N ATOM 0 H HIS B 186 8.335 5.455 -3.529 1.00 0.67 H new ATOM 0 HA HIS B 186 6.569 3.745 -5.151 1.00 0.65 H new ATOM 0 HB2 HIS B 186 8.662 4.453 -6.460 1.00 0.73 H new ATOM 0 HB3 HIS B 186 9.596 3.560 -5.276 1.00 0.73 H new ATOM 0 HD2 HIS B 186 8.555 2.845 -8.647 1.00 1.34 H new ATOM 0 HE1 HIS B 186 7.746 -0.829 -6.688 1.00 1.31 H new ATOM 0 HE2 HIS B 186 8.045 0.306 -8.944 1.00 1.12 H new ATOM 1214 N TRP B 187 6.724 2.044 -3.340 1.00 0.50 N ATOM 1215 CA TRP B 187 6.752 1.077 -2.234 1.00 0.46 C ATOM 1216 C TRP B 187 6.234 -0.285 -2.669 1.00 0.45 C ATOM 1217 O TRP B 187 5.630 -0.443 -3.731 1.00 0.59 O ATOM 1218 CB TRP B 187 5.861 1.557 -1.086 1.00 0.45 C ATOM 1219 CG TRP B 187 6.574 2.043 0.143 1.00 0.44 C ATOM 1220 CD1 TRP B 187 6.739 3.341 0.514 1.00 0.45 C ATOM 1221 CD2 TRP B 187 7.174 1.256 1.186 1.00 0.47 C ATOM 1222 NE1 TRP B 187 7.424 3.416 1.694 1.00 0.47 N ATOM 1223 CE2 TRP B 187 7.699 2.156 2.130 1.00 0.48 C ATOM 1224 CE3 TRP B 187 7.330 -0.112 1.416 1.00 0.52 C ATOM 1225 CZ2 TRP B 187 8.361 1.736 3.276 1.00 0.54 C ATOM 1226 CZ3 TRP B 187 7.987 -0.524 2.554 1.00 0.57 C ATOM 1227 CH2 TRP B 187 8.497 0.398 3.473 1.00 0.58 C ATOM 0 H TRP B 187 5.902 1.974 -3.940 1.00 0.50 H new ATOM 0 HA TRP B 187 7.791 0.993 -1.916 1.00 0.46 H new ATOM 0 HB2 TRP B 187 5.228 2.363 -1.457 1.00 0.45 H new ATOM 0 HB3 TRP B 187 5.200 0.739 -0.799 1.00 0.45 H new ATOM 0 HD1 TRP B 187 6.379 4.192 -0.045 1.00 0.45 H new ATOM 0 HE1 TRP B 187 7.687 4.278 2.172 1.00 0.47 H new ATOM 0 HE3 TRP B 187 6.942 -0.835 0.714 1.00 0.52 H new ATOM 0 HZ2 TRP B 187 8.754 2.448 3.986 1.00 0.54 H new ATOM 0 HZ3 TRP B 187 8.111 -1.581 2.740 1.00 0.57 H new ATOM 0 HH2 TRP B 187 9.008 0.041 4.355 1.00 0.58 H new ATOM 1238 N VAL B 188 6.436 -1.241 -1.786 1.00 0.40 N ATOM 1239 CA VAL B 188 5.972 -2.602 -1.956 1.00 0.40 C ATOM 1240 C VAL B 188 5.864 -3.241 -0.576 1.00 0.36 C ATOM 1241 O VAL B 188 6.854 -3.733 -0.020 1.00 0.35 O ATOM 1242 CB VAL B 188 6.896 -3.448 -2.860 1.00 0.45 C ATOM 1243 CG1 VAL B 188 6.130 -4.629 -3.442 1.00 0.56 C ATOM 1244 CG2 VAL B 188 7.499 -2.601 -3.972 1.00 0.51 C ATOM 0 H VAL B 188 6.938 -1.090 -0.911 1.00 0.40 H new ATOM 0 HA VAL B 188 5.004 -2.571 -2.456 1.00 0.40 H new ATOM 0 HB VAL B 188 7.714 -3.829 -2.248 1.00 0.45 H new ATOM 0 HG11 VAL B 188 6.794 -5.216 -4.077 1.00 0.56 H new ATOM 0 HG12 VAL B 188 5.756 -5.255 -2.632 1.00 0.56 H new ATOM 0 HG13 VAL B 188 5.292 -4.263 -4.035 1.00 0.56 H new ATOM 0 HG21 VAL B 188 8.145 -3.222 -4.593 1.00 0.51 H new ATOM 0 HG22 VAL B 188 6.700 -2.182 -4.584 1.00 0.51 H new ATOM 0 HG23 VAL B 188 8.084 -1.791 -3.536 1.00 0.51 H new ATOM 1254 N TYR B 189 4.662 -3.207 -0.007 1.00 0.36 N ATOM 1255 CA TYR B 189 4.442 -3.767 1.316 1.00 0.35 C ATOM 1256 C TYR B 189 3.847 -5.158 1.188 1.00 0.34 C ATOM 1257 O TYR B 189 2.783 -5.330 0.607 1.00 0.41 O ATOM 1258 CB TYR B 189 3.533 -2.851 2.134 1.00 0.37 C ATOM 1259 CG TYR B 189 4.273 -1.829 2.969 1.00 0.40 C ATOM 1260 CD1 TYR B 189 5.300 -2.209 3.824 1.00 1.37 C ATOM 1261 CD2 TYR B 189 3.930 -0.486 2.915 1.00 0.94 C ATOM 1262 CE1 TYR B 189 5.965 -1.275 4.596 1.00 1.53 C ATOM 1263 CE2 TYR B 189 4.585 0.452 3.681 1.00 0.87 C ATOM 1264 CZ TYR B 189 5.604 0.054 4.521 1.00 0.66 C ATOM 1265 OH TYR B 189 6.264 0.986 5.290 1.00 0.84 O ATOM 0 H TYR B 189 3.833 -2.800 -0.440 1.00 0.36 H new ATOM 0 HA TYR B 189 5.395 -3.845 1.840 1.00 0.35 H new ATOM 0 HB2 TYR B 189 2.857 -2.329 1.457 1.00 0.37 H new ATOM 0 HB3 TYR B 189 2.916 -3.463 2.792 1.00 0.37 H new ATOM 0 HD1 TYR B 189 5.583 -3.249 3.886 1.00 1.37 H new ATOM 0 HD2 TYR B 189 3.133 -0.170 2.259 1.00 0.94 H new ATOM 0 HE1 TYR B 189 6.763 -1.584 5.255 1.00 1.53 H new ATOM 0 HE2 TYR B 189 4.303 1.493 3.624 1.00 0.87 H new ATOM 0 HH TYR B 189 7.170 1.117 4.939 1.00 0.84 H new ATOM 1275 N TYR B 190 4.560 -6.156 1.698 1.00 0.33 N ATOM 1276 CA TYR B 190 4.108 -7.537 1.590 1.00 0.33 C ATOM 1277 C TYR B 190 3.417 -8.011 2.865 1.00 0.35 C ATOM 1278 O TYR B 190 3.999 -7.940 3.948 1.00 0.47 O ATOM 1279 CB TYR B 190 5.289 -8.486 1.325 1.00 0.40 C ATOM 1280 CG TYR B 190 6.139 -8.187 0.101 1.00 0.45 C ATOM 1281 CD1 TYR B 190 6.348 -6.892 -0.356 1.00 1.27 C ATOM 1282 CD2 TYR B 190 6.763 -9.225 -0.584 1.00 1.30 C ATOM 1283 CE1 TYR B 190 7.147 -6.646 -1.455 1.00 1.32 C ATOM 1284 CE2 TYR B 190 7.562 -8.985 -1.684 1.00 1.36 C ATOM 1285 CZ TYR B 190 7.751 -7.693 -2.115 1.00 0.69 C ATOM 1286 OH TYR B 190 8.547 -7.445 -3.210 1.00 0.84 O ATOM 0 H TYR B 190 5.447 -6.036 2.187 1.00 0.33 H new ATOM 0 HA TYR B 190 3.403 -7.560 0.759 1.00 0.33 H new ATOM 0 HB2 TYR B 190 5.937 -8.476 2.201 1.00 0.40 H new ATOM 0 HB3 TYR B 190 4.898 -9.499 1.229 1.00 0.40 H new ATOM 0 HD1 TYR B 190 5.878 -6.065 0.156 1.00 1.27 H new ATOM 0 HD2 TYR B 190 6.619 -10.241 -0.248 1.00 1.30 H new ATOM 0 HE1 TYR B 190 7.298 -5.633 -1.797 1.00 1.32 H new ATOM 0 HE2 TYR B 190 8.035 -9.806 -2.202 1.00 1.36 H new ATOM 0 HH TYR B 190 9.426 -7.130 -2.911 1.00 0.84 H new ATOM 1296 N THR B 191 2.196 -8.541 2.741 1.00 0.35 N ATOM 1297 CA THR B 191 1.507 -9.062 3.915 1.00 0.39 C ATOM 1298 C THR B 191 2.200 -10.316 4.374 1.00 0.42 C ATOM 1299 O THR B 191 2.398 -11.240 3.585 1.00 0.67 O ATOM 1300 CB THR B 191 0.048 -9.413 3.665 1.00 0.47 C ATOM 1301 OG1 THR B 191 -0.077 -10.727 3.149 1.00 0.75 O ATOM 1302 CG2 THR B 191 -0.665 -8.490 2.719 1.00 0.47 C ATOM 0 H THR B 191 1.680 -8.618 1.864 1.00 0.35 H new ATOM 0 HA THR B 191 1.536 -8.268 4.661 1.00 0.39 H new ATOM 0 HB THR B 191 -0.420 -9.316 4.645 1.00 0.47 H new ATOM 0 HG1 THR B 191 0.814 -11.114 3.020 1.00 0.75 H new ATOM 0 HG21 THR B 191 -1.698 -8.817 2.601 1.00 0.47 H new ATOM 0 HG22 THR B 191 -0.649 -7.476 3.119 1.00 0.47 H new ATOM 0 HG23 THR B 191 -0.166 -8.506 1.750 1.00 0.47 H new ATOM 1310 N CYS B 192 2.554 -10.349 5.643 1.00 0.43 N ATOM 1311 CA CYS B 192 3.238 -11.513 6.221 1.00 0.52 C ATOM 1312 C CYS B 192 4.243 -11.089 7.238 1.00 0.51 C ATOM 1313 O CYS B 192 4.457 -11.747 8.257 1.00 0.59 O ATOM 1314 CB CYS B 192 4.065 -12.289 5.163 1.00 0.61 C ATOM 1315 SG CYS B 192 5.750 -12.782 5.747 1.00 0.95 S ATOM 0 H CYS B 192 2.384 -9.589 6.302 1.00 0.43 H new ATOM 0 HA CYS B 192 2.444 -12.130 6.642 1.00 0.52 H new ATOM 0 HB2 CYS B 192 3.516 -13.184 4.871 1.00 0.61 H new ATOM 0 HB3 CYS B 192 4.166 -11.672 4.270 1.00 0.61 H new ATOM 1320 N CYS B 193 4.966 -10.072 6.856 1.00 0.52 N ATOM 1321 CA CYS B 193 6.092 -9.646 7.635 1.00 0.62 C ATOM 1322 C CYS B 193 6.305 -8.139 7.601 1.00 0.67 C ATOM 1323 O CYS B 193 6.343 -7.524 6.535 1.00 0.77 O ATOM 1324 CB CYS B 193 7.300 -10.392 7.056 1.00 0.71 C ATOM 1325 SG CYS B 193 6.973 -11.168 5.410 1.00 1.01 S ATOM 0 H CYS B 193 4.795 -9.525 6.012 1.00 0.52 H new ATOM 0 HA CYS B 193 5.933 -9.876 8.688 1.00 0.62 H new ATOM 0 HB2 CYS B 193 8.134 -9.697 6.961 1.00 0.71 H new ATOM 0 HB3 CYS B 193 7.609 -11.166 7.758 1.00 0.71 H new ATOM 1330 N PRO B 194 6.444 -7.528 8.789 1.00 0.77 N ATOM 1331 CA PRO B 194 6.649 -6.094 8.931 1.00 0.90 C ATOM 1332 C PRO B 194 8.127 -5.707 8.965 1.00 0.91 C ATOM 1333 O PRO B 194 8.485 -4.571 8.654 1.00 1.15 O ATOM 1334 CB PRO B 194 5.992 -5.839 10.277 1.00 1.06 C ATOM 1335 CG PRO B 194 6.357 -7.037 11.082 1.00 1.12 C ATOM 1336 CD PRO B 194 6.395 -8.191 10.110 1.00 0.92 C ATOM 0 HA PRO B 194 6.245 -5.516 8.100 1.00 0.90 H new ATOM 0 HB2 PRO B 194 6.361 -4.921 10.735 1.00 1.06 H new ATOM 0 HB3 PRO B 194 4.911 -5.735 10.182 1.00 1.06 H new ATOM 0 HG2 PRO B 194 7.324 -6.902 11.567 1.00 1.12 H new ATOM 0 HG3 PRO B 194 5.627 -7.215 11.871 1.00 1.12 H new ATOM 0 HD2 PRO B 194 7.266 -8.825 10.273 1.00 0.92 H new ATOM 0 HD3 PRO B 194 5.515 -8.827 10.208 1.00 0.92 H new ATOM 1344 N ASP B 195 8.979 -6.655 9.345 1.00 0.81 N ATOM 1345 CA ASP B 195 10.415 -6.408 9.417 1.00 0.94 C ATOM 1346 C ASP B 195 11.079 -6.604 8.055 1.00 0.97 C ATOM 1347 O ASP B 195 12.286 -6.410 7.912 1.00 1.21 O ATOM 1348 CB ASP B 195 11.060 -7.336 10.448 1.00 1.12 C ATOM 1349 CG ASP B 195 10.510 -7.118 11.844 1.00 1.26 C ATOM 1350 OD1 ASP B 195 9.406 -7.626 12.133 1.00 1.77 O ATOM 1351 OD2 ASP B 195 11.183 -6.440 12.648 1.00 1.67 O ATOM 0 H ASP B 195 8.700 -7.600 9.607 1.00 0.81 H new ATOM 0 HA ASP B 195 10.562 -5.372 9.723 1.00 0.94 H new ATOM 0 HB2 ASP B 195 10.896 -8.372 10.153 1.00 1.12 H new ATOM 0 HB3 ASP B 195 12.138 -7.174 10.455 1.00 1.12 H new ATOM 1356 N THR B 196 10.287 -6.984 7.055 1.00 0.86 N ATOM 1357 CA THR B 196 10.806 -7.198 5.709 1.00 0.97 C ATOM 1358 C THR B 196 10.101 -6.291 4.704 1.00 0.77 C ATOM 1359 O THR B 196 9.609 -6.756 3.680 1.00 0.94 O ATOM 1360 CB THR B 196 10.632 -8.661 5.293 1.00 1.30 C ATOM 1361 OG1 THR B 196 9.303 -8.908 4.871 1.00 1.86 O ATOM 1362 CG2 THR B 196 10.950 -9.645 6.396 1.00 1.83 C ATOM 0 H THR B 196 9.285 -7.149 7.152 1.00 0.86 H new ATOM 0 HA THR B 196 11.868 -6.953 5.717 1.00 0.97 H new ATOM 0 HB THR B 196 11.342 -8.812 4.480 1.00 1.30 H new ATOM 0 HG1 THR B 196 9.116 -8.391 4.060 1.00 1.86 H new ATOM 0 HG21 THR B 196 10.805 -10.661 6.030 1.00 1.83 H new ATOM 0 HG22 THR B 196 11.986 -9.517 6.710 1.00 1.83 H new ATOM 0 HG23 THR B 196 10.289 -9.467 7.244 1.00 1.83 H new ATOM 1370 N PRO B 197 10.043 -4.978 4.979 1.00 0.58 N ATOM 1371 CA PRO B 197 9.394 -4.019 4.082 1.00 0.56 C ATOM 1372 C PRO B 197 10.217 -3.766 2.825 1.00 0.54 C ATOM 1373 O PRO B 197 11.446 -3.723 2.878 1.00 0.73 O ATOM 1374 CB PRO B 197 9.308 -2.749 4.928 1.00 0.75 C ATOM 1375 CG PRO B 197 10.446 -2.856 5.881 1.00 0.91 C ATOM 1376 CD PRO B 197 10.605 -4.323 6.176 1.00 0.73 C ATOM 0 HA PRO B 197 8.427 -4.376 3.727 1.00 0.56 H new ATOM 0 HB2 PRO B 197 9.391 -1.855 4.310 1.00 0.75 H new ATOM 0 HB3 PRO B 197 8.355 -2.686 5.454 1.00 0.75 H new ATOM 0 HG2 PRO B 197 11.358 -2.444 5.448 1.00 0.91 H new ATOM 0 HG3 PRO B 197 10.245 -2.294 6.793 1.00 0.91 H new ATOM 0 HD2 PRO B 197 11.651 -4.591 6.327 1.00 0.73 H new ATOM 0 HD3 PRO B 197 10.069 -4.611 7.080 1.00 0.73 H new ATOM 1384 N TYR B 198 9.539 -3.594 1.694 1.00 0.42 N ATOM 1385 CA TYR B 198 10.219 -3.340 0.436 1.00 0.48 C ATOM 1386 C TYR B 198 10.002 -1.881 0.042 1.00 0.49 C ATOM 1387 O TYR B 198 8.929 -1.502 -0.428 1.00 0.51 O ATOM 1388 CB TYR B 198 9.708 -4.300 -0.645 1.00 0.54 C ATOM 1389 CG TYR B 198 9.648 -5.744 -0.217 1.00 0.56 C ATOM 1390 CD1 TYR B 198 8.918 -6.142 0.895 1.00 1.27 C ATOM 1391 CD2 TYR B 198 10.317 -6.716 -0.940 1.00 1.29 C ATOM 1392 CE1 TYR B 198 8.861 -7.464 1.271 1.00 1.33 C ATOM 1393 CE2 TYR B 198 10.264 -8.036 -0.572 1.00 1.35 C ATOM 1394 CZ TYR B 198 9.535 -8.410 0.536 1.00 0.79 C ATOM 1395 OH TYR B 198 9.480 -9.732 0.910 1.00 0.96 O ATOM 0 H TYR B 198 8.522 -3.626 1.627 1.00 0.42 H new ATOM 0 HA TYR B 198 11.289 -3.515 0.546 1.00 0.48 H new ATOM 0 HB2 TYR B 198 8.712 -3.983 -0.953 1.00 0.54 H new ATOM 0 HB3 TYR B 198 10.353 -4.219 -1.520 1.00 0.54 H new ATOM 0 HD1 TYR B 198 8.386 -5.402 1.474 1.00 1.27 H new ATOM 0 HD2 TYR B 198 10.891 -6.430 -1.809 1.00 1.29 H new ATOM 0 HE1 TYR B 198 8.290 -7.757 2.139 1.00 1.33 H new ATOM 0 HE2 TYR B 198 10.792 -8.781 -1.149 1.00 1.35 H new ATOM 0 HH TYR B 198 8.612 -10.109 0.653 1.00 0.96 H new ATOM 1405 N LEU B 199 11.018 -1.061 0.295 1.00 0.57 N ATOM 1406 CA LEU B 199 10.949 0.375 0.033 1.00 0.67 C ATOM 1407 C LEU B 199 11.618 0.760 -1.285 1.00 0.64 C ATOM 1408 O LEU B 199 12.642 0.195 -1.669 1.00 0.82 O ATOM 1409 CB LEU B 199 11.624 1.111 1.195 1.00 0.83 C ATOM 1410 CG LEU B 199 11.291 2.592 1.350 1.00 1.18 C ATOM 1411 CD1 LEU B 199 11.926 3.128 2.625 1.00 2.08 C ATOM 1412 CD2 LEU B 199 11.768 3.392 0.147 1.00 1.83 C ATOM 0 H LEU B 199 11.908 -1.370 0.685 1.00 0.57 H new ATOM 0 HA LEU B 199 9.900 0.659 -0.052 1.00 0.67 H new ATOM 0 HB2 LEU B 199 11.357 0.603 2.122 1.00 0.83 H new ATOM 0 HB3 LEU B 199 12.703 1.015 1.078 1.00 0.83 H new ATOM 0 HG LEU B 199 10.208 2.698 1.412 1.00 1.18 H new ATOM 0 HD11 LEU B 199 11.687 4.186 2.734 1.00 2.08 H new ATOM 0 HD12 LEU B 199 11.539 2.578 3.483 1.00 2.08 H new ATOM 0 HD13 LEU B 199 13.008 3.004 2.573 1.00 2.08 H new ATOM 0 HD21 LEU B 199 11.517 4.443 0.286 1.00 1.83 H new ATOM 0 HD22 LEU B 199 12.848 3.288 0.046 1.00 1.83 H new ATOM 0 HD23 LEU B 199 11.281 3.019 -0.754 1.00 1.83 H new ATOM 1424 N ASP B 200 11.029 1.745 -1.963 1.00 0.64 N ATOM 1425 CA ASP B 200 11.556 2.240 -3.230 1.00 0.71 C ATOM 1426 C ASP B 200 11.453 3.767 -3.298 1.00 0.68 C ATOM 1427 O ASP B 200 10.355 4.333 -3.342 1.00 0.66 O ATOM 1428 CB ASP B 200 10.804 1.607 -4.402 1.00 0.86 C ATOM 1429 CG ASP B 200 11.186 0.156 -4.617 1.00 1.28 C ATOM 1430 OD1 ASP B 200 12.397 -0.148 -4.601 1.00 1.94 O ATOM 1431 OD2 ASP B 200 10.274 -0.677 -4.802 1.00 1.85 O ATOM 0 H ASP B 200 10.180 2.217 -1.651 1.00 0.64 H new ATOM 0 HA ASP B 200 12.608 1.962 -3.296 1.00 0.71 H new ATOM 0 HB2 ASP B 200 9.731 1.675 -4.221 1.00 0.86 H new ATOM 0 HB3 ASP B 200 11.010 2.173 -5.311 1.00 0.86 H new ATOM 1436 N ILE B 201 12.605 4.432 -3.300 1.00 0.87 N ATOM 1437 CA ILE B 201 12.642 5.890 -3.357 1.00 0.97 C ATOM 1438 C ILE B 201 13.518 6.386 -4.504 1.00 1.35 C ATOM 1439 O ILE B 201 13.061 7.146 -5.357 1.00 2.08 O ATOM 1440 CB ILE B 201 13.143 6.507 -2.031 1.00 1.18 C ATOM 1441 CG1 ILE B 201 14.354 5.741 -1.487 1.00 1.79 C ATOM 1442 CG2 ILE B 201 12.021 6.529 -1.004 1.00 1.71 C ATOM 1443 CD1 ILE B 201 15.646 6.527 -1.557 1.00 2.15 C ATOM 0 H ILE B 201 13.522 3.987 -3.263 1.00 0.87 H new ATOM 0 HA ILE B 201 11.615 6.213 -3.528 1.00 0.97 H new ATOM 0 HB ILE B 201 13.458 7.531 -2.231 1.00 1.18 H new ATOM 0 HG12 ILE B 201 14.163 5.463 -0.451 1.00 1.79 H new ATOM 0 HG13 ILE B 201 14.471 4.814 -2.049 1.00 1.79 H new ATOM 0 HG21 ILE B 201 12.387 6.966 -0.075 1.00 1.71 H new ATOM 0 HG22 ILE B 201 11.192 7.126 -1.384 1.00 1.71 H new ATOM 0 HG23 ILE B 201 11.679 5.511 -0.817 1.00 1.71 H new ATOM 0 HD11 ILE B 201 16.461 5.924 -1.156 1.00 2.15 H new ATOM 0 HD12 ILE B 201 15.861 6.782 -2.595 1.00 2.15 H new ATOM 0 HD13 ILE B 201 15.548 7.441 -0.971 1.00 2.15 H new ATOM 1455 N THR B 202 14.777 5.957 -4.521 1.00 1.64 N ATOM 1456 CA THR B 202 15.704 6.369 -5.568 1.00 2.04 C ATOM 1457 C THR B 202 16.924 5.454 -5.613 1.00 1.74 C ATOM 1458 O THR B 202 17.421 5.012 -4.577 1.00 2.54 O ATOM 1459 CB THR B 202 16.147 7.814 -5.339 1.00 3.24 C ATOM 1460 OG1 THR B 202 15.025 8.661 -5.164 1.00 3.87 O ATOM 1461 CG2 THR B 202 16.972 8.375 -6.477 1.00 4.02 C ATOM 0 H THR B 202 15.176 5.327 -3.825 1.00 1.64 H new ATOM 0 HA THR B 202 15.187 6.297 -6.525 1.00 2.04 H new ATOM 0 HB THR B 202 16.766 7.787 -4.442 1.00 3.24 H new ATOM 0 HG1 THR B 202 14.284 8.341 -5.720 1.00 3.87 H new ATOM 0 HG21 THR B 202 17.253 9.403 -6.250 1.00 4.02 H new ATOM 0 HG22 THR B 202 17.871 7.773 -6.606 1.00 4.02 H new ATOM 0 HG23 THR B 202 16.386 8.353 -7.396 1.00 4.02 H new ATOM 1469 N GLU B 203 17.402 5.177 -6.822 1.00 1.62 N ATOM 1470 CA GLU B 203 18.566 4.318 -7.006 1.00 2.27 C ATOM 1471 C GLU B 203 19.048 4.360 -8.454 1.00 2.48 C ATOM 1472 O GLU B 203 18.680 3.511 -9.265 1.00 3.29 O ATOM 1473 CB GLU B 203 18.234 2.879 -6.604 1.00 3.14 C ATOM 1474 CG GLU B 203 18.876 2.450 -5.294 1.00 3.84 C ATOM 1475 CD GLU B 203 20.374 2.685 -5.274 1.00 4.72 C ATOM 1476 OE1 GLU B 203 21.099 1.956 -5.983 1.00 5.39 O ATOM 1477 OE2 GLU B 203 20.822 3.599 -4.549 1.00 5.11 O ATOM 0 H GLU B 203 17.001 5.535 -7.689 1.00 1.62 H new ATOM 0 HA GLU B 203 19.366 4.688 -6.366 1.00 2.27 H new ATOM 0 HB2 GLU B 203 17.152 2.774 -6.520 1.00 3.14 H new ATOM 0 HB3 GLU B 203 18.559 2.205 -7.396 1.00 3.14 H new ATOM 0 HG2 GLU B 203 18.415 2.997 -4.472 1.00 3.84 H new ATOM 0 HG3 GLU B 203 18.676 1.392 -5.125 1.00 3.84 H new ATOM 1484 N GLU B 204 19.873 5.354 -8.770 1.00 2.36 N ATOM 1485 CA GLU B 204 20.404 5.505 -10.119 1.00 2.99 C ATOM 1486 C GLU B 204 21.404 4.399 -10.438 1.00 3.72 C ATOM 1487 O GLU B 204 21.586 4.093 -11.635 1.00 4.15 O ATOM 1488 CB GLU B 204 21.071 6.873 -10.278 1.00 3.10 C ATOM 1489 CG GLU B 204 22.286 7.066 -9.385 1.00 3.14 C ATOM 1490 CD GLU B 204 23.281 8.053 -9.962 1.00 3.54 C ATOM 1491 OE1 GLU B 204 22.975 9.264 -9.979 1.00 3.92 O ATOM 1492 OE2 GLU B 204 24.368 7.616 -10.396 1.00 4.04 O ATOM 1493 OXT GLU B 204 21.998 3.848 -9.487 1.00 4.36 O ATOM 0 H GLU B 204 20.187 6.066 -8.110 1.00 2.36 H new ATOM 0 HA GLU B 204 19.572 5.431 -10.819 1.00 2.99 H new ATOM 0 HB2 GLU B 204 21.371 7.003 -11.318 1.00 3.10 H new ATOM 0 HB3 GLU B 204 20.341 7.652 -10.057 1.00 3.10 H new ATOM 0 HG2 GLU B 204 21.961 7.415 -8.405 1.00 3.14 H new ATOM 0 HG3 GLU B 204 22.778 6.105 -9.234 1.00 3.14 H new TER 1500 GLU B 204 CONECT 43 311 CONECT 218 639 CONECT 311 43 CONECT 429 481 CONECT 481 429 CONECT 639 218 CONECT 683 857 CONECT 857 683 CONECT 867 936 CONECT 936 867 CONECT 1315 1325 CONECT 1325 1315 END