USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) HEADER APOPTOSIS 03-AUG-99 1C9Q TITLE AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-2 DOMAIN OF XIAP COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS INHIBITOR IAP HOMOLOG; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BIR-2 DOMAIN (RESIDUES 124-240) OF HUMAN XIAP; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS ZINC FINGER, APOPTOSIS, INHIBITOR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.P.MEADOWS,S.W.FESIK REVDAT 3 24-FEB-09 1C9Q 1 VERSN REVDAT 2 01-APR-03 1C9Q 1 JRNL REVDAT 1 09-AUG-00 1C9Q 0 JRNL AUTH C.SUN,M.CAI,A.H.GUNASEKERA,R.P.MEADOWS,H.WANG, JRNL AUTH 2 J.CHEN,H.ZHANG,W.WU,N.XU,S.C.NG,S.W.FESIK JRNL TITL NMR STRUCTURE AND MUTAGENESIS OF THE JRNL TITL 2 INHIBITOR-OF-APOPTOSIS PROTEIN XIAP. JRNL REF NATURE V. 401 818 1999 JRNL REFN ISSN 0028-0836 JRNL PMID 10548111 JRNL DOI 10.1038/44617 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8X REMARK 3 AUTHORS : BRUNGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C9Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-AUG-99. REMARK 100 THE RCSB ID CODE IS RCSB009467. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 0.0 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.6 MM XIAP U-15N,13C; 50 MM REMARK 210 TRIS, 300MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, HNHA, REMARK 210 RESIDUAL DIPOLAR COUPLING IN REMARK 210 PHAGE REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DREAMWALKER 2.0, X-PLOR 3.8X REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NONE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NONE 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: 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 ASP A 2 76.81 -67.27 REMARK 500 LEU A 6 -38.76 -176.08 REMARK 500 ASP A 7 55.94 75.45 REMARK 500 ARG A 8 55.88 33.72 REMARK 500 GLU A 11 123.57 70.43 REMARK 500 THR A 12 -46.17 -131.47 REMARK 500 THR A 20 -54.34 -133.40 REMARK 500 GLN A 22 124.50 72.63 REMARK 500 VAL A 24 107.99 -53.22 REMARK 500 ASP A 25 -78.94 -54.16 REMARK 500 ASP A 28 30.06 -163.50 REMARK 500 THR A 29 -170.78 48.17 REMARK 500 ILE A 30 18.05 -178.21 REMARK 500 ASN A 34 71.21 -173.12 REMARK 500 PHE A 47 34.04 -89.85 REMARK 500 ASN A 49 50.70 74.52 REMARK 500 PRO A 51 177.91 -56.25 REMARK 500 HIS A 55 -38.97 168.03 REMARK 500 ALA A 79 -71.19 -78.94 REMARK 500 ASN A 86 32.09 74.11 REMARK 500 PHE A 101 73.48 -150.66 REMARK 500 LEU A 108 -84.80 -50.76 REMARK 500 ARG A 110 -59.34 69.32 REMARK 500 ASN A 111 166.92 89.89 REMARK 500 LEU A 112 174.29 77.17 REMARK 500 ASN A 113 -90.78 -46.16 REMARK 500 ILE A 114 38.32 32.20 REMARK 500 ARG A 115 -76.93 -56.73 REMARK 500 SER A 116 -64.79 75.67 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 999 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 77 SG REMARK 620 2 CYS A 80 SG 109.0 REMARK 620 3 CYS A 104 SG 108.5 109.2 REMARK 620 4 HIS A 97 NE2 109.5 109.7 110.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 999 DBREF 1C9Q A 1 117 UNP P98170 BIRC4_HUMAN 124 240 SEQADV 1C9Q ALA A 79 UNP P98170 CYS 202 ENGINEERED SEQADV 1C9Q GLY A 90 UNP P98170 CYS 213 ENGINEERED SEQRES 1 A 117 ARG ASP HIS PHE ALA LEU ASP ARG PRO SER GLU THR HIS SEQRES 2 A 117 ALA ASP TYR LEU LEU ARG THR GLY GLN VAL VAL ASP ILE SEQRES 3 A 117 SER ASP THR ILE TYR PRO ARG ASN PRO ALA MET TYR SER SEQRES 4 A 117 GLU GLU ALA ARG LEU LYS SER PHE GLN ASN TRP PRO ASP SEQRES 5 A 117 TYR ALA HIS LEU THR PRO ARG GLU LEU ALA SER ALA GLY SEQRES 6 A 117 LEU TYR TYR THR GLY ILE GLY ASP GLN VAL GLN CYS PHE SEQRES 7 A 117 ALA CYS GLY GLY LYS LEU LYS ASN TRP GLU PRO GLY ASP SEQRES 8 A 117 ARG ALA TRP SER GLU HIS ARG ARG HIS PHE PRO ASN CYS SEQRES 9 A 117 PHE PHE VAL LEU GLY ARG ASN LEU ASN ILE ARG SER GLU HET ZN A 999 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ HELIX 1 1 ASP A 2 LEU A 6 5 5 HELIX 2 2 HIS A 13 LEU A 18 1 6 HELIX 3 3 ASN A 34 TYR A 38 5 5 HELIX 4 4 SER A 39 PHE A 47 1 9 HELIX 5 5 THR A 57 ALA A 64 1 8 HELIX 6 6 TRP A 94 PHE A 101 1 8 HELIX 7 7 CYS A 104 ARG A 110 1 7 SHEET 1 A 3 LEU A 66 ILE A 71 0 SHEET 2 A 3 GLN A 74 CYS A 77 -1 N GLN A 74 O ILE A 71 SHEET 3 A 3 GLY A 82 LEU A 84 -1 O GLY A 82 N CYS A 77 LINK ZN ZN A 999 SG CYS A 77 1555 1555 2.10 LINK ZN ZN A 999 SG CYS A 80 1555 1555 2.10 LINK ZN ZN A 999 SG CYS A 104 1555 1555 2.10 LINK ZN ZN A 999 NE2 HIS A 97 1555 1555 2.21 SITE *** AC1 4 CYS A 77 CYS A 80 HIS A 97 CYS A 104 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 74 GLN : amide:sc= -3.27 K(o=-3.3,f=-7.2) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 SER OG : rot 74:sc= 2.13 USER MOD Set 3.1: A 34 ASN : amide:sc= -0.439 K(o=-5.8,f=-7!) USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 76 GLN : amide:sc= -5.35! C(o=-5.8!,f=-11!) USER MOD Set 4.1: A 12 THR OG1 : rot 77:sc= 0.817 USER MOD Set 4.2: A 13 HIS :FLIP no HD1:sc= -0.108 F(o=-3.7,f=0.71) USER MOD Single : A 1 ARG N :NH3+ -153:sc= 0.0232 (180deg=0) USER MOD Single : A 3 HIS : +bothHN:sc= -5.86! C(o=-5.9!,f=-8.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -116:sc= 0.206 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -152:sc= -3.96! (180deg=-5.19!) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -1.23 (180deg=-1.57) USER MOD Single : A 46 SER OG : rot -88:sc= 1.27 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.573 F(o=-1.8,f=-0.57) USER MOD Single : A 49 ASN : amide:sc= 0.0267 X(o=0.027,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HE2:sc= -5.33 F(o=-8!,f=-5.3) USER MOD Single : A 57 THR OG1 : rot -170:sc= -0.671 USER MOD Single : A 63 SER OG : rot 57:sc= 0.892 USER MOD Single : A 68 TYR OH : rot 62:sc= 1.15 USER MOD Single : A 69 THR OG1 : rot -62:sc= 1.02 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.71) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS :FLIP+bothHN:sc= -2.45 F(o=-3.9,f=-2.4) USER MOD Single : A 100 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.6) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -3.84! C(o=-3.8!,f=-5.8!) USER MOD Single : A 113 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 116 SER OG : rot 180:sc= -0.546 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 79.260 67.132 11.430 1.00 26.00 N ATOM 2 CA ARG A 1 79.412 68.477 10.820 1.00 26.18 C ATOM 3 C ARG A 1 78.347 69.440 11.335 1.00 25.82 C ATOM 4 O ARG A 1 77.699 69.180 12.348 1.00 25.65 O ATOM 5 CB ARG A 1 79.309 68.338 9.299 1.00 26.58 C ATOM 6 CG ARG A 1 80.408 69.069 8.546 1.00 26.88 C ATOM 7 CD ARG A 1 79.835 70.107 7.595 1.00 27.30 C ATOM 8 NE ARG A 1 80.611 70.208 6.362 1.00 27.76 N ATOM 9 CZ ARG A 1 80.548 69.322 5.369 1.00 28.17 C ATOM 10 NH1 ARG A 1 79.751 68.264 5.459 1.00 28.20 N ATOM 11 NH2 ARG A 1 81.287 69.495 4.282 1.00 28.65 N ATOM 0 H1 ARG A 1 80.183 66.654 11.450 1.00 26.00 H new ATOM 0 H2 ARG A 1 78.900 67.230 12.401 1.00 26.00 H new ATOM 0 H3 ARG A 1 78.591 66.569 10.867 1.00 26.00 H new ATOM 0 HA ARG A 1 80.384 68.886 11.095 1.00 26.18 H new ATOM 0 HB2 ARG A 1 79.341 67.281 9.036 1.00 26.58 H new ATOM 0 HB3 ARG A 1 78.341 68.718 8.972 1.00 26.58 H new ATOM 0 HG2 ARG A 1 81.077 69.555 9.257 1.00 26.88 H new ATOM 0 HG3 ARG A 1 81.006 68.351 7.985 1.00 26.88 H new ATOM 0 HD2 ARG A 1 78.804 69.848 7.354 1.00 27.30 H new ATOM 0 HD3 ARG A 1 79.812 71.078 8.089 1.00 27.30 H new ATOM 0 HE ARG A 1 81.239 71.005 6.255 1.00 27.76 H new ATOM 0 HH11 ARG A 1 79.181 68.125 6.293 1.00 28.20 H new ATOM 0 HH12 ARG A 1 79.709 67.591 4.694 1.00 28.20 H new ATOM 0 HH21 ARG A 1 81.902 70.305 4.207 1.00 28.65 H new ATOM 0 HH22 ARG A 1 81.240 68.818 3.521 1.00 28.65 H new ATOM 27 N ASP A 2 78.174 70.553 10.631 1.00 25.81 N ATOM 28 CA ASP A 2 77.190 71.556 11.017 1.00 25.58 C ATOM 29 C ASP A 2 75.771 71.020 10.860 1.00 25.23 C ATOM 30 O ASP A 2 75.071 71.360 9.906 1.00 25.12 O ATOM 31 CB ASP A 2 77.365 72.821 10.174 1.00 25.67 C ATOM 32 CG ASP A 2 77.447 72.520 8.690 1.00 26.07 C ATOM 33 OD1 ASP A 2 77.184 71.362 8.302 1.00 26.14 O ATOM 34 OD2 ASP A 2 77.774 73.444 7.915 1.00 26.39 O ATOM 0 H ASP A 2 78.703 70.783 9.790 1.00 25.81 H new ATOM 0 HA ASP A 2 77.351 71.800 12.067 1.00 25.58 H new ATOM 0 HB2 ASP A 2 76.530 73.496 10.359 1.00 25.67 H new ATOM 0 HB3 ASP A 2 78.271 73.341 10.487 1.00 25.67 H new ATOM 39 N HIS A 3 75.351 70.183 11.803 1.00 25.15 N ATOM 40 CA HIS A 3 74.013 69.604 11.768 1.00 24.91 C ATOM 41 C HIS A 3 72.957 70.697 11.625 1.00 24.79 C ATOM 42 O HIS A 3 73.144 71.820 12.090 1.00 24.92 O ATOM 43 CB HIS A 3 73.756 68.782 13.033 1.00 25.08 C ATOM 44 CG HIS A 3 72.470 69.119 13.721 1.00 25.32 C ATOM 45 ND1 HIS A 3 72.412 69.834 14.899 1.00 25.53 N ATOM 46 CD2 HIS A 3 71.188 68.834 13.393 1.00 25.49 C ATOM 47 CE1 HIS A 3 71.150 69.973 15.266 1.00 25.81 C ATOM 48 NE2 HIS A 3 70.388 69.376 14.368 1.00 25.79 N ATOM 0 H HIS A 3 75.917 69.891 12.600 1.00 25.15 H new ATOM 0 HA HIS A 3 73.947 68.945 10.902 1.00 24.91 H new ATOM 0 HB2 HIS A 3 73.752 67.724 12.773 1.00 25.08 H new ATOM 0 HB3 HIS A 3 74.581 68.936 13.729 1.00 25.08 H new ATOM 0 HD1 HIS A 3 73.217 70.199 15.408 1.00 25.53 H new ATOM 0 HD2 HIS A 3 70.856 68.283 12.526 1.00 25.49 H new ATOM 0 HE1 HIS A 3 70.801 70.487 16.150 1.00 25.81 H new ATOM 0 HE2 HIS A 3 69.370 69.326 14.394 1.00 25.79 H new ATOM 56 N PHE A 4 71.850 70.364 10.970 1.00 24.65 N ATOM 57 CA PHE A 4 70.771 71.323 10.761 1.00 24.62 C ATOM 58 C PHE A 4 71.237 72.520 9.927 1.00 24.23 C ATOM 59 O PHE A 4 70.577 73.559 9.903 1.00 24.07 O ATOM 60 CB PHE A 4 70.225 71.806 12.106 1.00 25.04 C ATOM 61 CG PHE A 4 68.945 71.132 12.513 1.00 25.15 C ATOM 62 CD1 PHE A 4 68.670 69.835 12.109 1.00 25.13 C ATOM 63 CD2 PHE A 4 68.018 71.796 13.300 1.00 25.40 C ATOM 64 CE1 PHE A 4 67.493 69.213 12.482 1.00 25.34 C ATOM 65 CE2 PHE A 4 66.840 71.179 13.677 1.00 25.61 C ATOM 66 CZ PHE A 4 66.577 69.886 13.267 1.00 25.58 C ATOM 0 H PHE A 4 71.676 69.440 10.575 1.00 24.65 H new ATOM 0 HA PHE A 4 69.979 70.816 10.210 1.00 24.62 H new ATOM 0 HB2 PHE A 4 70.977 71.635 12.876 1.00 25.04 H new ATOM 0 HB3 PHE A 4 70.059 72.882 12.056 1.00 25.04 H new ATOM 0 HD1 PHE A 4 69.383 69.304 11.496 1.00 25.13 H new ATOM 0 HD2 PHE A 4 68.218 72.807 13.623 1.00 25.40 H new ATOM 0 HE1 PHE A 4 67.290 68.202 12.160 1.00 25.34 H new ATOM 0 HE2 PHE A 4 66.126 71.707 14.291 1.00 25.61 H new ATOM 0 HZ PHE A 4 65.657 69.402 13.560 1.00 25.58 H new ATOM 76 N ALA A 5 72.369 72.370 9.236 1.00 24.17 N ATOM 77 CA ALA A 5 72.903 73.438 8.397 1.00 23.91 C ATOM 78 C ALA A 5 73.522 74.579 9.210 1.00 23.21 C ATOM 79 O ALA A 5 73.960 75.576 8.637 1.00 22.98 O ATOM 80 CB ALA A 5 71.812 73.983 7.490 1.00 24.23 C ATOM 0 H ALA A 5 72.931 71.519 9.243 1.00 24.17 H new ATOM 0 HA ALA A 5 73.702 73.001 7.798 1.00 23.91 H new ATOM 0 HB1 ALA A 5 72.220 74.779 6.868 1.00 24.23 H new ATOM 0 HB2 ALA A 5 71.434 73.183 6.854 1.00 24.23 H new ATOM 0 HB3 ALA A 5 70.998 74.378 8.097 1.00 24.23 H new ATOM 86 N LEU A 6 73.561 74.448 10.537 1.00 22.98 N ATOM 87 CA LEU A 6 74.134 75.498 11.374 1.00 22.43 C ATOM 88 C LEU A 6 74.161 75.095 12.850 1.00 22.30 C ATOM 89 O LEU A 6 75.121 75.394 13.562 1.00 22.34 O ATOM 90 CB LEU A 6 73.358 76.809 11.194 1.00 22.14 C ATOM 91 CG LEU A 6 71.852 76.665 10.940 1.00 22.10 C ATOM 92 CD1 LEU A 6 71.099 76.543 12.253 1.00 21.93 C ATOM 93 CD2 LEU A 6 71.336 77.852 10.141 1.00 22.57 C ATOM 0 H LEU A 6 73.208 73.638 11.047 1.00 22.98 H new ATOM 0 HA LEU A 6 75.165 75.648 11.053 1.00 22.43 H new ATOM 0 HB2 LEU A 6 73.500 77.418 12.086 1.00 22.14 H new ATOM 0 HB3 LEU A 6 73.797 77.357 10.360 1.00 22.14 H new ATOM 0 HG LEU A 6 71.684 75.756 10.362 1.00 22.10 H new ATOM 0 HD11 LEU A 6 70.032 76.442 12.053 1.00 21.93 H new ATOM 0 HD12 LEU A 6 71.451 75.665 12.794 1.00 21.93 H new ATOM 0 HD13 LEU A 6 71.272 77.435 12.856 1.00 21.93 H new ATOM 0 HD21 LEU A 6 70.266 77.737 9.968 1.00 22.57 H new ATOM 0 HD22 LEU A 6 71.517 78.772 10.698 1.00 22.57 H new ATOM 0 HD23 LEU A 6 71.855 77.900 9.184 1.00 22.57 H new ATOM 105 N ASP A 7 73.109 74.418 13.302 1.00 22.26 N ATOM 106 CA ASP A 7 73.015 73.971 14.693 1.00 22.26 C ATOM 107 C ASP A 7 72.682 75.127 15.633 1.00 22.01 C ATOM 108 O ASP A 7 73.407 75.369 16.599 1.00 22.35 O ATOM 109 CB ASP A 7 74.322 73.311 15.142 1.00 22.66 C ATOM 110 CG ASP A 7 74.918 72.409 14.081 1.00 22.96 C ATOM 111 OD1 ASP A 7 74.559 71.213 14.049 1.00 23.03 O ATOM 112 OD2 ASP A 7 75.745 72.897 13.282 1.00 23.21 O ATOM 0 H ASP A 7 72.307 74.165 12.725 1.00 22.26 H new ATOM 0 HA ASP A 7 72.207 73.241 14.741 1.00 22.26 H new ATOM 0 HB2 ASP A 7 75.044 74.085 15.402 1.00 22.66 H new ATOM 0 HB3 ASP A 7 74.139 72.730 16.046 1.00 22.66 H new ATOM 117 N ARG A 8 71.572 75.815 15.349 1.00 21.51 N ATOM 118 CA ARG A 8 71.101 76.944 16.159 1.00 21.32 C ATOM 119 C ARG A 8 72.248 77.757 16.761 1.00 20.81 C ATOM 120 O ARG A 8 72.316 77.945 17.976 1.00 20.34 O ATOM 121 CB ARG A 8 70.176 76.442 17.270 1.00 21.27 C ATOM 122 CG ARG A 8 70.826 75.430 18.203 1.00 21.45 C ATOM 123 CD ARG A 8 69.819 74.818 19.170 1.00 21.99 C ATOM 124 NE ARG A 8 68.443 74.929 18.686 1.00 22.34 N ATOM 125 CZ ARG A 8 67.679 76.010 18.845 1.00 22.88 C ATOM 126 NH1 ARG A 8 68.147 77.082 19.474 1.00 23.12 N ATOM 127 NH2 ARG A 8 66.443 76.019 18.367 1.00 23.27 N ATOM 0 H ARG A 8 70.974 75.605 14.550 1.00 21.51 H new ATOM 0 HA ARG A 8 70.553 77.609 15.492 1.00 21.32 H new ATOM 0 HB2 ARG A 8 69.833 77.294 17.857 1.00 21.27 H new ATOM 0 HB3 ARG A 8 69.293 75.990 16.818 1.00 21.27 H new ATOM 0 HG2 ARG A 8 71.290 74.639 17.614 1.00 21.45 H new ATOM 0 HG3 ARG A 8 71.622 75.916 18.767 1.00 21.45 H new ATOM 0 HD2 ARG A 8 70.062 73.767 19.327 1.00 21.99 H new ATOM 0 HD3 ARG A 8 69.902 75.312 20.138 1.00 21.99 H new ATOM 0 HE ARG A 8 68.043 74.129 18.196 1.00 22.34 H new ATOM 0 HH11 ARG A 8 69.099 77.083 19.841 1.00 23.12 H new ATOM 0 HH12 ARG A 8 67.555 77.904 19.591 1.00 23.12 H new ATOM 0 HH21 ARG A 8 66.079 75.201 17.879 1.00 23.27 H new ATOM 0 HH22 ARG A 8 65.856 76.844 18.487 1.00 23.27 H new ATOM 141 N PRO A 9 73.162 78.253 15.913 1.00 21.00 N ATOM 142 CA PRO A 9 74.305 79.052 16.360 1.00 20.67 C ATOM 143 C PRO A 9 73.891 80.454 16.789 1.00 20.29 C ATOM 144 O PRO A 9 74.413 80.998 17.763 1.00 20.41 O ATOM 145 CB PRO A 9 75.196 79.114 15.119 1.00 21.20 C ATOM 146 CG PRO A 9 74.254 78.977 13.974 1.00 21.74 C ATOM 147 CD PRO A 9 73.148 78.075 14.452 1.00 21.66 C ATOM 0 HA PRO A 9 74.795 78.619 17.232 1.00 20.67 H new ATOM 0 HB2 PRO A 9 75.744 80.055 15.071 1.00 21.20 H new ATOM 0 HB3 PRO A 9 75.936 78.314 15.122 1.00 21.20 H new ATOM 0 HG2 PRO A 9 73.862 79.949 13.673 1.00 21.74 H new ATOM 0 HG3 PRO A 9 74.756 78.552 13.105 1.00 21.74 H new ATOM 0 HD2 PRO A 9 72.187 78.358 14.023 1.00 21.66 H new ATOM 0 HD3 PRO A 9 73.329 77.037 14.173 1.00 21.66 H new ATOM 155 N SER A 10 72.948 81.034 16.055 1.00 19.91 N ATOM 156 CA SER A 10 72.459 82.375 16.356 1.00 19.62 C ATOM 157 C SER A 10 71.315 82.324 17.363 1.00 19.34 C ATOM 158 O SER A 10 70.172 82.036 17.005 1.00 19.28 O ATOM 159 CB SER A 10 71.997 83.070 15.074 1.00 19.87 C ATOM 160 OG SER A 10 72.965 82.944 14.047 1.00 19.75 O ATOM 0 H SER A 10 72.506 80.596 15.246 1.00 19.91 H new ATOM 0 HA SER A 10 73.278 82.944 16.795 1.00 19.62 H new ATOM 0 HB2 SER A 10 71.053 82.638 14.743 1.00 19.87 H new ATOM 0 HB3 SER A 10 71.811 84.125 15.275 1.00 19.87 H new ATOM 0 HG SER A 10 72.645 83.395 13.238 1.00 19.75 H new ATOM 166 N GLU A 11 71.630 82.605 18.623 1.00 19.30 N ATOM 167 CA GLU A 11 70.630 82.592 19.686 1.00 19.16 C ATOM 168 C GLU A 11 70.176 81.168 19.993 1.00 18.57 C ATOM 169 O GLU A 11 69.709 80.450 19.108 1.00 18.53 O ATOM 170 CB GLU A 11 69.424 83.450 19.296 1.00 19.85 C ATOM 171 CG GLU A 11 69.802 84.794 18.694 1.00 20.27 C ATOM 172 CD GLU A 11 69.645 84.821 17.186 1.00 20.76 C ATOM 173 OE1 GLU A 11 68.676 84.218 16.679 1.00 20.84 O ATOM 174 OE2 GLU A 11 70.491 85.446 16.512 1.00 21.17 O ATOM 0 H GLU A 11 72.571 82.845 18.934 1.00 19.30 H new ATOM 0 HA GLU A 11 71.089 83.009 20.582 1.00 19.16 H new ATOM 0 HB2 GLU A 11 68.813 82.900 18.580 1.00 19.85 H new ATOM 0 HB3 GLU A 11 68.807 83.617 20.179 1.00 19.85 H new ATOM 0 HG2 GLU A 11 69.180 85.573 19.135 1.00 20.27 H new ATOM 0 HG3 GLU A 11 70.835 85.026 18.952 1.00 20.27 H new ATOM 181 N THR A 12 70.315 80.768 21.253 1.00 18.22 N ATOM 182 CA THR A 12 69.920 79.431 21.680 1.00 17.75 C ATOM 183 C THR A 12 69.066 79.492 22.943 1.00 17.64 C ATOM 184 O THR A 12 68.028 78.836 23.034 1.00 17.78 O ATOM 185 CB THR A 12 71.157 78.568 21.932 1.00 17.32 C ATOM 186 OG1 THR A 12 71.983 79.153 22.922 1.00 17.24 O ATOM 187 CG2 THR A 12 72.003 78.356 20.695 1.00 17.48 C ATOM 0 H THR A 12 70.699 81.351 21.997 1.00 18.22 H new ATOM 0 HA THR A 12 69.327 78.983 20.882 1.00 17.75 H new ATOM 0 HB THR A 12 70.772 77.602 22.258 1.00 17.32 H new ATOM 0 HG1 THR A 12 71.598 78.989 23.808 1.00 17.24 H new ATOM 0 HG21 THR A 12 72.864 77.736 20.945 1.00 17.48 H new ATOM 0 HG22 THR A 12 71.408 77.860 19.928 1.00 17.48 H new ATOM 0 HG23 THR A 12 72.347 79.320 20.320 1.00 17.48 H new ATOM 195 N HIS A 13 69.509 80.283 23.915 1.00 17.53 N ATOM 196 CA HIS A 13 68.785 80.428 25.173 1.00 17.53 C ATOM 197 C HIS A 13 69.293 81.634 25.957 1.00 16.96 C ATOM 198 O HIS A 13 70.176 82.358 25.499 1.00 16.56 O ATOM 199 CB HIS A 13 68.925 79.160 26.017 1.00 18.07 C ATOM 200 CG HIS A 13 70.324 78.627 26.072 1.00 18.76 C ATOM 201 ND1 HIS A 13 71.481 79.201 25.664 1.00 19.25 N flip ATOM 202 CD2 HIS A 13 70.597 77.385 26.591 1.00 19.14 C flip ATOM 203 CE1 HIS A 13 72.484 78.305 25.932 1.00 19.89 C flip ATOM 204 NE2 HIS A 13 71.905 77.230 26.489 1.00 19.85 N flip ATOM 0 H HIS A 13 70.366 80.833 23.856 1.00 17.53 H new ATOM 0 HA HIS A 13 67.732 80.586 24.941 1.00 17.53 H new ATOM 0 HB2 HIS A 13 68.585 79.369 27.031 1.00 18.07 H new ATOM 0 HB3 HIS A 13 68.268 78.390 25.613 1.00 18.07 H new ATOM 0 HD2 HIS A 13 69.888 76.680 26.999 1.00 19.14 H new ATOM 0 HE1 HIS A 13 73.537 78.439 25.733 1.00 19.89 H new ATOM 0 HE2 HIS A 13 72.411 76.399 26.795 1.00 19.85 H new ATOM 212 N ALA A 14 68.727 81.843 27.142 1.00 17.03 N ATOM 213 CA ALA A 14 69.121 82.960 27.991 1.00 16.63 C ATOM 214 C ALA A 14 70.638 83.046 28.120 1.00 16.17 C ATOM 215 O ALA A 14 71.232 84.099 27.888 1.00 15.70 O ATOM 216 CB ALA A 14 68.480 82.828 29.364 1.00 17.09 C ATOM 0 H ALA A 14 67.994 81.253 27.535 1.00 17.03 H new ATOM 0 HA ALA A 14 68.771 83.880 27.524 1.00 16.63 H new ATOM 0 HB1 ALA A 14 68.782 83.668 29.989 1.00 17.09 H new ATOM 0 HB2 ALA A 14 67.395 82.825 29.260 1.00 17.09 H new ATOM 0 HB3 ALA A 14 68.803 81.896 29.828 1.00 17.09 H new ATOM 222 N ASP A 15 71.260 81.932 28.493 1.00 16.43 N ATOM 223 CA ASP A 15 72.708 81.882 28.654 1.00 16.21 C ATOM 224 C ASP A 15 73.412 82.492 27.446 1.00 15.78 C ATOM 225 O ASP A 15 74.482 83.088 27.573 1.00 15.50 O ATOM 226 CB ASP A 15 73.170 80.437 28.851 1.00 16.74 C ATOM 227 CG ASP A 15 72.663 79.840 30.149 1.00 17.06 C ATOM 228 OD1 ASP A 15 71.524 79.326 30.162 1.00 17.34 O ATOM 229 OD2 ASP A 15 73.404 79.887 31.153 1.00 17.17 O ATOM 0 H ASP A 15 70.783 81.052 28.689 1.00 16.43 H new ATOM 0 HA ASP A 15 72.970 82.465 29.537 1.00 16.21 H new ATOM 0 HB2 ASP A 15 72.822 79.830 28.015 1.00 16.74 H new ATOM 0 HB3 ASP A 15 74.259 80.402 28.839 1.00 16.74 H new ATOM 234 N TYR A 16 72.803 82.341 26.274 1.00 15.87 N ATOM 235 CA TYR A 16 73.369 82.878 25.042 1.00 15.68 C ATOM 236 C TYR A 16 72.858 84.290 24.779 1.00 15.25 C ATOM 237 O TYR A 16 73.600 85.155 24.314 1.00 15.08 O ATOM 238 CB TYR A 16 73.023 81.971 23.860 1.00 16.10 C ATOM 239 CG TYR A 16 73.662 82.401 22.559 1.00 16.28 C ATOM 240 CD1 TYR A 16 73.226 83.540 21.893 1.00 16.44 C ATOM 241 CD2 TYR A 16 74.700 81.669 21.997 1.00 16.46 C ATOM 242 CE1 TYR A 16 73.807 83.937 20.704 1.00 16.78 C ATOM 243 CE2 TYR A 16 75.287 82.060 20.809 1.00 16.80 C ATOM 244 CZ TYR A 16 74.837 83.194 20.166 1.00 16.95 C ATOM 245 OH TYR A 16 75.419 83.586 18.983 1.00 17.44 O ATOM 0 H TYR A 16 71.917 81.851 26.152 1.00 15.87 H new ATOM 0 HA TYR A 16 74.452 82.918 25.157 1.00 15.68 H new ATOM 0 HB2 TYR A 16 73.337 80.953 24.090 1.00 16.10 H new ATOM 0 HB3 TYR A 16 71.941 81.950 23.734 1.00 16.10 H new ATOM 0 HD1 TYR A 16 72.420 84.124 22.312 1.00 16.44 H new ATOM 0 HD2 TYR A 16 75.054 80.780 22.497 1.00 16.46 H new ATOM 0 HE1 TYR A 16 73.456 84.825 20.198 1.00 16.78 H new ATOM 0 HE2 TYR A 16 76.094 81.480 20.386 1.00 16.80 H new ATOM 0 HH TYR A 16 75.252 82.907 18.296 1.00 17.44 H new ATOM 255 N LEU A 17 71.585 84.514 25.083 1.00 15.22 N ATOM 256 CA LEU A 17 70.966 85.820 24.884 1.00 14.99 C ATOM 257 C LEU A 17 71.682 86.901 25.690 1.00 14.67 C ATOM 258 O LEU A 17 71.645 88.077 25.329 1.00 14.45 O ATOM 259 CB LEU A 17 69.490 85.769 25.280 1.00 15.34 C ATOM 260 CG LEU A 17 68.564 85.129 24.246 1.00 15.82 C ATOM 261 CD1 LEU A 17 67.379 84.465 24.930 1.00 16.26 C ATOM 262 CD2 LEU A 17 68.087 86.170 23.243 1.00 15.85 C ATOM 0 H LEU A 17 70.960 83.807 25.469 1.00 15.22 H new ATOM 0 HA LEU A 17 71.048 86.072 23.827 1.00 14.99 H new ATOM 0 HB2 LEU A 17 69.400 85.218 26.216 1.00 15.34 H new ATOM 0 HB3 LEU A 17 69.146 86.785 25.473 1.00 15.34 H new ATOM 0 HG LEU A 17 69.124 84.363 23.709 1.00 15.82 H new ATOM 0 HD11 LEU A 17 66.731 84.015 24.178 1.00 16.26 H new ATOM 0 HD12 LEU A 17 67.738 83.692 25.610 1.00 16.26 H new ATOM 0 HD13 LEU A 17 66.818 85.212 25.493 1.00 16.26 H new ATOM 0 HD21 LEU A 17 67.429 85.698 22.514 1.00 15.85 H new ATOM 0 HD22 LEU A 17 67.544 86.957 23.766 1.00 15.85 H new ATOM 0 HD23 LEU A 17 68.946 86.602 22.730 1.00 15.85 H new ATOM 274 N LEU A 18 72.328 86.497 26.783 1.00 14.77 N ATOM 275 CA LEU A 18 73.050 87.431 27.644 1.00 14.66 C ATOM 276 C LEU A 18 73.898 88.400 26.823 1.00 14.46 C ATOM 277 O LEU A 18 74.122 89.540 27.230 1.00 14.30 O ATOM 278 CB LEU A 18 73.939 86.666 28.626 1.00 15.09 C ATOM 279 CG LEU A 18 73.219 85.603 29.458 1.00 15.49 C ATOM 280 CD1 LEU A 18 73.989 85.315 30.737 1.00 16.04 C ATOM 281 CD2 LEU A 18 71.800 86.049 29.777 1.00 15.53 C ATOM 0 H LEU A 18 72.366 85.526 27.093 1.00 14.77 H new ATOM 0 HA LEU A 18 72.313 88.010 28.200 1.00 14.66 H new ATOM 0 HB2 LEU A 18 74.742 86.186 28.067 1.00 15.09 H new ATOM 0 HB3 LEU A 18 74.406 87.381 29.303 1.00 15.09 H new ATOM 0 HG LEU A 18 73.168 84.684 28.874 1.00 15.49 H new ATOM 0 HD11 LEU A 18 73.462 84.557 31.316 1.00 16.04 H new ATOM 0 HD12 LEU A 18 74.986 84.953 30.488 1.00 16.04 H new ATOM 0 HD13 LEU A 18 74.071 86.229 31.326 1.00 16.04 H new ATOM 0 HD21 LEU A 18 71.302 85.281 30.369 1.00 15.53 H new ATOM 0 HD22 LEU A 18 71.830 86.981 30.342 1.00 15.53 H new ATOM 0 HD23 LEU A 18 71.250 86.205 28.849 1.00 15.53 H new ATOM 293 N ARG A 19 74.366 87.941 25.667 1.00 14.61 N ATOM 294 CA ARG A 19 75.187 88.772 24.793 1.00 14.65 C ATOM 295 C ARG A 19 74.469 90.070 24.436 1.00 14.42 C ATOM 296 O ARG A 19 75.107 91.094 24.189 1.00 14.41 O ATOM 297 CB ARG A 19 75.549 88.008 23.517 1.00 15.03 C ATOM 298 CG ARG A 19 74.343 87.581 22.696 1.00 15.20 C ATOM 299 CD ARG A 19 74.003 88.595 21.611 1.00 15.67 C ATOM 300 NE ARG A 19 75.008 88.630 20.547 1.00 15.89 N ATOM 301 CZ ARG A 19 76.006 89.515 20.472 1.00 16.32 C ATOM 302 NH1 ARG A 19 76.186 90.432 21.418 1.00 16.58 N ATOM 303 NH2 ARG A 19 76.841 89.475 19.442 1.00 16.65 N ATOM 0 H ARG A 19 74.191 87.000 25.314 1.00 14.61 H new ATOM 0 HA ARG A 19 76.102 89.022 25.331 1.00 14.65 H new ATOM 0 HB2 ARG A 19 76.194 88.634 22.900 1.00 15.03 H new ATOM 0 HB3 ARG A 19 76.126 87.123 23.786 1.00 15.03 H new ATOM 0 HG2 ARG A 19 74.541 86.612 22.237 1.00 15.20 H new ATOM 0 HG3 ARG A 19 73.484 87.452 23.354 1.00 15.20 H new ATOM 0 HD2 ARG A 19 73.031 88.352 21.182 1.00 15.67 H new ATOM 0 HD3 ARG A 19 73.915 89.586 22.057 1.00 15.67 H new ATOM 0 HE ARG A 19 74.941 87.928 19.810 1.00 15.89 H new ATOM 0 HH11 ARG A 19 75.556 90.468 22.219 1.00 16.58 H new ATOM 0 HH12 ARG A 19 76.954 91.099 21.342 1.00 16.58 H new ATOM 0 HH21 ARG A 19 76.719 88.772 18.714 1.00 16.65 H new ATOM 0 HH22 ARG A 19 77.605 90.148 19.378 1.00 16.65 H new ATOM 317 N THR A 20 73.140 90.023 24.407 1.00 14.38 N ATOM 318 CA THR A 20 72.343 91.199 24.076 1.00 14.35 C ATOM 319 C THR A 20 71.192 91.381 25.062 1.00 13.70 C ATOM 320 O THR A 20 71.040 92.445 25.663 1.00 13.54 O ATOM 321 CB THR A 20 71.797 91.088 22.650 1.00 14.63 C ATOM 322 OG1 THR A 20 70.779 92.047 22.428 1.00 14.93 O ATOM 323 CG2 THR A 20 71.219 89.725 22.331 1.00 15.04 C ATOM 0 H THR A 20 72.594 89.185 24.608 1.00 14.38 H new ATOM 0 HA THR A 20 72.992 92.072 24.143 1.00 14.35 H new ATOM 0 HB THR A 20 72.655 91.261 22.000 1.00 14.63 H new ATOM 0 HG1 THR A 20 70.444 91.962 21.511 1.00 14.93 H new ATOM 0 HG21 THR A 20 70.851 89.717 21.305 1.00 15.04 H new ATOM 0 HG22 THR A 20 71.993 88.966 22.445 1.00 15.04 H new ATOM 0 HG23 THR A 20 70.397 89.510 23.013 1.00 15.04 H new ATOM 331 N GLY A 21 70.382 90.339 25.223 1.00 13.49 N ATOM 332 CA GLY A 21 69.256 90.410 26.136 1.00 13.01 C ATOM 333 C GLY A 21 69.668 90.819 27.536 1.00 12.77 C ATOM 334 O GLY A 21 69.242 91.859 28.038 1.00 13.06 O ATOM 0 H GLY A 21 70.485 89.448 24.738 1.00 13.49 H new ATOM 0 HA2 GLY A 21 68.526 91.123 25.753 1.00 13.01 H new ATOM 0 HA3 GLY A 21 68.763 89.439 26.175 1.00 13.01 H new ATOM 338 N GLN A 22 70.499 89.997 28.168 1.00 12.39 N ATOM 339 CA GLN A 22 70.971 90.277 29.520 1.00 12.26 C ATOM 340 C GLN A 22 69.858 90.061 30.541 1.00 11.80 C ATOM 341 O GLN A 22 68.782 90.650 30.434 1.00 11.77 O ATOM 342 CB GLN A 22 71.493 91.712 29.614 1.00 12.49 C ATOM 343 CG GLN A 22 72.278 92.156 28.390 1.00 12.98 C ATOM 344 CD GLN A 22 73.596 92.811 28.750 1.00 13.09 C ATOM 345 OE1 GLN A 22 73.804 93.997 28.493 1.00 13.67 O ATOM 346 NE2 GLN A 22 74.497 92.040 29.348 1.00 12.69 N ATOM 0 H GLN A 22 70.860 89.132 27.766 1.00 12.39 H new ATOM 0 HA GLN A 22 71.784 89.586 29.744 1.00 12.26 H new ATOM 0 HB2 GLN A 22 70.650 92.388 29.759 1.00 12.49 H new ATOM 0 HB3 GLN A 22 72.129 91.801 30.495 1.00 12.49 H new ATOM 0 HG2 GLN A 22 72.468 91.293 27.752 1.00 12.98 H new ATOM 0 HG3 GLN A 22 71.675 92.855 27.810 1.00 12.98 H new ATOM 0 HE21 GLN A 22 74.283 91.062 29.542 1.00 12.69 H new ATOM 0 HE22 GLN A 22 75.403 92.426 29.613 1.00 12.69 H new ATOM 355 N VAL A 23 70.124 89.215 31.530 1.00 11.62 N ATOM 356 CA VAL A 23 69.145 88.924 32.571 1.00 11.36 C ATOM 357 C VAL A 23 69.228 89.943 33.702 1.00 10.75 C ATOM 358 O VAL A 23 68.219 90.283 34.320 1.00 10.74 O ATOM 359 CB VAL A 23 69.346 87.513 33.155 1.00 11.75 C ATOM 360 CG1 VAL A 23 68.102 87.062 33.905 1.00 11.52 C ATOM 361 CG2 VAL A 23 69.701 86.524 32.055 1.00 12.48 C ATOM 0 H VAL A 23 71.009 88.719 31.633 1.00 11.62 H new ATOM 0 HA VAL A 23 68.162 88.979 32.104 1.00 11.36 H new ATOM 0 HB VAL A 23 70.175 87.548 33.862 1.00 11.75 H new ATOM 0 HG11 VAL A 23 68.264 86.063 34.310 1.00 11.52 H new ATOM 0 HG12 VAL A 23 67.897 87.756 34.721 1.00 11.52 H new ATOM 0 HG13 VAL A 23 67.252 87.044 33.223 1.00 11.52 H new ATOM 0 HG21 VAL A 23 69.839 85.533 32.487 1.00 12.48 H new ATOM 0 HG22 VAL A 23 68.895 86.491 31.322 1.00 12.48 H new ATOM 0 HG23 VAL A 23 70.623 86.838 31.567 1.00 12.48 H new ATOM 371 N VAL A 24 70.437 90.425 33.967 1.00 10.44 N ATOM 372 CA VAL A 24 70.656 91.405 35.025 1.00 10.03 C ATOM 373 C VAL A 24 69.734 92.608 34.860 1.00 9.28 C ATOM 374 O VAL A 24 69.920 93.426 33.959 1.00 9.48 O ATOM 375 CB VAL A 24 72.117 91.891 35.045 1.00 10.61 C ATOM 376 CG1 VAL A 24 72.521 92.428 33.681 1.00 11.13 C ATOM 377 CG2 VAL A 24 72.312 92.948 36.121 1.00 10.80 C ATOM 0 H VAL A 24 71.281 90.153 33.463 1.00 10.44 H new ATOM 0 HA VAL A 24 70.433 90.907 35.969 1.00 10.03 H new ATOM 0 HB VAL A 24 72.760 91.042 35.280 1.00 10.61 H new ATOM 0 HG11 VAL A 24 73.557 92.767 33.715 1.00 11.13 H new ATOM 0 HG12 VAL A 24 72.422 91.639 32.935 1.00 11.13 H new ATOM 0 HG13 VAL A 24 71.875 93.264 33.413 1.00 11.13 H new ATOM 0 HG21 VAL A 24 73.350 93.280 36.121 1.00 10.80 H new ATOM 0 HG22 VAL A 24 71.659 93.797 35.919 1.00 10.80 H new ATOM 0 HG23 VAL A 24 72.066 92.525 37.095 1.00 10.80 H new ATOM 387 N ASP A 25 68.740 92.711 35.736 1.00 8.63 N ATOM 388 CA ASP A 25 67.790 93.816 35.687 1.00 8.11 C ATOM 389 C ASP A 25 68.515 95.158 35.706 1.00 7.40 C ATOM 390 O ASP A 25 68.680 95.799 34.668 1.00 7.57 O ATOM 391 CB ASP A 25 66.815 93.731 36.862 1.00 8.41 C ATOM 392 CG ASP A 25 65.441 93.252 36.437 1.00 8.76 C ATOM 393 OD1 ASP A 25 65.008 93.605 35.320 1.00 9.11 O ATOM 394 OD2 ASP A 25 64.797 92.524 37.221 1.00 8.94 O ATOM 0 H ASP A 25 68.572 92.043 36.488 1.00 8.63 H new ATOM 0 HA ASP A 25 67.230 93.740 34.755 1.00 8.11 H new ATOM 0 HB2 ASP A 25 67.216 93.054 37.616 1.00 8.41 H new ATOM 0 HB3 ASP A 25 66.727 94.712 37.330 1.00 8.41 H new ATOM 399 N ILE A 26 68.948 95.579 36.891 1.00 6.87 N ATOM 400 CA ILE A 26 69.657 96.844 37.037 1.00 6.43 C ATOM 401 C ILE A 26 70.912 96.683 37.890 1.00 6.01 C ATOM 402 O ILE A 26 71.348 97.623 38.555 1.00 6.40 O ATOM 403 CB ILE A 26 68.755 97.925 37.664 1.00 6.63 C ATOM 404 CG1 ILE A 26 68.261 97.478 39.040 1.00 7.22 C ATOM 405 CG2 ILE A 26 67.580 98.229 36.747 1.00 6.79 C ATOM 406 CD1 ILE A 26 67.148 98.343 39.591 1.00 7.98 C ATOM 0 H ILE A 26 68.820 95.063 37.762 1.00 6.87 H new ATOM 0 HA ILE A 26 69.946 97.159 36.034 1.00 6.43 H new ATOM 0 HB ILE A 26 69.340 98.836 37.790 1.00 6.63 H new ATOM 0 HG12 ILE A 26 67.912 96.448 38.975 1.00 7.22 H new ATOM 0 HG13 ILE A 26 69.098 97.487 39.739 1.00 7.22 H new ATOM 0 HG21 ILE A 26 66.951 98.994 37.203 1.00 6.79 H new ATOM 0 HG22 ILE A 26 67.951 98.588 35.787 1.00 6.79 H new ATOM 0 HG23 ILE A 26 66.994 97.323 36.593 1.00 6.79 H new ATOM 0 HD11 ILE A 26 66.846 97.969 40.569 1.00 7.98 H new ATOM 0 HD12 ILE A 26 67.500 99.370 39.688 1.00 7.98 H new ATOM 0 HD13 ILE A 26 66.295 98.314 38.913 1.00 7.98 H new ATOM 418 N SER A 27 71.494 95.488 37.860 1.00 5.58 N ATOM 419 CA SER A 27 72.704 95.204 38.623 1.00 5.59 C ATOM 420 C SER A 27 72.473 95.389 40.120 1.00 5.09 C ATOM 421 O SER A 27 73.222 96.101 40.789 1.00 5.41 O ATOM 422 CB SER A 27 73.845 96.111 38.160 1.00 6.35 C ATOM 423 OG SER A 27 73.796 96.318 36.759 1.00 6.92 O ATOM 0 H SER A 27 71.146 94.700 37.314 1.00 5.58 H new ATOM 0 HA SER A 27 72.973 94.163 38.445 1.00 5.59 H new ATOM 0 HB2 SER A 27 73.783 97.070 38.675 1.00 6.35 H new ATOM 0 HB3 SER A 27 74.802 95.665 38.432 1.00 6.35 H new ATOM 0 HG SER A 27 74.535 96.902 36.489 1.00 6.92 H new ATOM 429 N ASP A 28 71.435 94.744 40.641 1.00 4.68 N ATOM 430 CA ASP A 28 71.114 94.842 42.061 1.00 4.53 C ATOM 431 C ASP A 28 70.163 93.728 42.490 1.00 3.95 C ATOM 432 O ASP A 28 69.364 93.904 43.409 1.00 4.21 O ATOM 433 CB ASP A 28 70.493 96.204 42.371 1.00 5.15 C ATOM 434 CG ASP A 28 69.048 96.296 41.921 1.00 5.62 C ATOM 435 OD1 ASP A 28 68.648 95.502 41.044 1.00 6.25 O ATOM 436 OD2 ASP A 28 68.317 97.162 42.445 1.00 5.74 O ATOM 0 H ASP A 28 70.803 94.150 40.104 1.00 4.68 H new ATOM 0 HA ASP A 28 72.042 94.734 42.622 1.00 4.53 H new ATOM 0 HB2 ASP A 28 70.549 96.390 43.443 1.00 5.15 H new ATOM 0 HB3 ASP A 28 71.074 96.985 41.881 1.00 5.15 H new ATOM 441 N THR A 29 70.255 92.581 41.822 1.00 3.54 N ATOM 442 CA THR A 29 69.402 91.440 42.140 1.00 3.05 C ATOM 443 C THR A 29 67.940 91.866 42.251 1.00 2.58 C ATOM 444 O THR A 29 67.585 92.998 41.922 1.00 2.85 O ATOM 445 CB THR A 29 69.856 90.788 43.447 1.00 3.21 C ATOM 446 OG1 THR A 29 71.197 91.135 43.741 1.00 3.77 O ATOM 447 CG2 THR A 29 69.767 89.277 43.425 1.00 3.49 C ATOM 0 H THR A 29 70.911 92.417 41.058 1.00 3.54 H new ATOM 0 HA THR A 29 69.489 90.716 41.330 1.00 3.05 H new ATOM 0 HB THR A 29 69.174 91.165 44.209 1.00 3.21 H new ATOM 0 HG1 THR A 29 71.468 90.710 44.581 1.00 3.77 H new ATOM 0 HG21 THR A 29 70.104 88.879 44.382 1.00 3.49 H new ATOM 0 HG22 THR A 29 68.734 88.976 43.250 1.00 3.49 H new ATOM 0 HG23 THR A 29 70.399 88.887 42.627 1.00 3.49 H new ATOM 455 N ILE A 30 67.096 90.953 42.722 1.00 2.22 N ATOM 456 CA ILE A 30 65.671 91.250 42.878 1.00 2.14 C ATOM 457 C ILE A 30 64.864 90.083 43.478 1.00 1.72 C ATOM 458 O ILE A 30 63.637 90.058 43.371 1.00 2.15 O ATOM 459 CB ILE A 30 65.050 91.650 41.521 1.00 2.87 C ATOM 460 CG1 ILE A 30 63.992 92.734 41.718 1.00 3.60 C ATOM 461 CG2 ILE A 30 64.450 90.441 40.818 1.00 3.17 C ATOM 462 CD1 ILE A 30 64.135 93.900 40.763 1.00 4.45 C ATOM 0 H ILE A 30 67.367 90.010 43.000 1.00 2.22 H new ATOM 0 HA ILE A 30 65.615 92.080 43.582 1.00 2.14 H new ATOM 0 HB ILE A 30 65.844 92.048 40.889 1.00 2.87 H new ATOM 0 HG12 ILE A 30 63.003 92.292 41.594 1.00 3.60 H new ATOM 0 HG13 ILE A 30 64.049 93.104 42.742 1.00 3.60 H new ATOM 0 HG21 ILE A 30 64.020 90.750 39.866 1.00 3.17 H new ATOM 0 HG22 ILE A 30 65.229 89.700 40.641 1.00 3.17 H new ATOM 0 HG23 ILE A 30 63.671 90.006 41.444 1.00 3.17 H new ATOM 0 HD11 ILE A 30 63.351 94.631 40.961 1.00 4.45 H new ATOM 0 HD12 ILE A 30 65.110 94.367 40.903 1.00 4.45 H new ATOM 0 HD13 ILE A 30 64.048 93.543 39.737 1.00 4.45 H new ATOM 474 N TYR A 31 65.536 89.123 44.116 1.00 1.46 N ATOM 475 CA TYR A 31 64.844 87.984 44.712 1.00 1.31 C ATOM 476 C TYR A 31 64.154 88.377 46.016 1.00 1.03 C ATOM 477 O TYR A 31 64.641 89.237 46.750 1.00 1.13 O ATOM 478 CB TYR A 31 65.828 86.841 44.968 1.00 1.72 C ATOM 479 CG TYR A 31 66.223 86.090 43.717 1.00 2.20 C ATOM 480 CD1 TYR A 31 66.766 86.756 42.625 1.00 2.89 C ATOM 481 CD2 TYR A 31 66.053 84.714 43.628 1.00 2.46 C ATOM 482 CE1 TYR A 31 67.128 86.073 41.480 1.00 3.35 C ATOM 483 CE2 TYR A 31 66.413 84.023 42.486 1.00 2.92 C ATOM 484 CZ TYR A 31 66.950 84.707 41.416 1.00 3.18 C ATOM 485 OH TYR A 31 67.310 84.022 40.278 1.00 3.70 O ATOM 0 H TYR A 31 66.549 89.113 44.232 1.00 1.46 H new ATOM 0 HA TYR A 31 64.081 87.651 44.009 1.00 1.31 H new ATOM 0 HB2 TYR A 31 66.725 87.244 45.438 1.00 1.72 H new ATOM 0 HB3 TYR A 31 65.383 86.142 45.676 1.00 1.72 H new ATOM 0 HD1 TYR A 31 66.907 87.826 42.672 1.00 2.89 H new ATOM 0 HD2 TYR A 31 65.633 84.175 44.465 1.00 2.46 H new ATOM 0 HE1 TYR A 31 67.548 86.606 40.640 1.00 3.35 H new ATOM 0 HE2 TYR A 31 66.274 82.953 42.432 1.00 2.92 H new ATOM 0 HH TYR A 31 67.120 83.068 40.397 1.00 3.70 H new ATOM 495 N PRO A 32 63.004 87.749 46.323 1.00 0.85 N ATOM 496 CA PRO A 32 62.247 88.038 47.547 1.00 0.75 C ATOM 497 C PRO A 32 63.073 87.819 48.811 1.00 0.80 C ATOM 498 O PRO A 32 63.823 86.848 48.916 1.00 1.25 O ATOM 499 CB PRO A 32 61.082 87.044 47.501 1.00 1.02 C ATOM 500 CG PRO A 32 60.962 86.651 46.070 1.00 1.12 C ATOM 501 CD PRO A 32 62.352 86.712 45.504 1.00 1.04 C ATOM 0 HA PRO A 32 61.934 89.081 47.584 1.00 0.75 H new ATOM 0 HB2 PRO A 32 61.278 86.177 48.132 1.00 1.02 H new ATOM 0 HB3 PRO A 32 60.161 87.500 47.863 1.00 1.02 H new ATOM 0 HG2 PRO A 32 60.546 85.648 45.975 1.00 1.12 H new ATOM 0 HG3 PRO A 32 60.293 87.326 45.535 1.00 1.12 H new ATOM 0 HD2 PRO A 32 62.863 85.753 45.587 1.00 1.04 H new ATOM 0 HD3 PRO A 32 62.345 86.979 44.447 1.00 1.04 H new ATOM 509 N ARG A 33 62.923 88.727 49.769 1.00 0.71 N ATOM 510 CA ARG A 33 63.650 88.635 51.032 1.00 0.88 C ATOM 511 C ARG A 33 62.870 87.831 52.078 1.00 0.98 C ATOM 512 O ARG A 33 63.238 87.817 53.253 1.00 1.62 O ATOM 513 CB ARG A 33 63.945 90.034 51.573 1.00 1.03 C ATOM 514 CG ARG A 33 64.895 90.837 50.698 1.00 1.22 C ATOM 515 CD ARG A 33 66.282 90.938 51.316 1.00 1.65 C ATOM 516 NE ARG A 33 66.692 92.325 51.516 1.00 2.30 N ATOM 517 CZ ARG A 33 66.210 93.113 52.476 1.00 2.68 C ATOM 518 NH1 ARG A 33 65.298 92.659 53.327 1.00 2.66 N ATOM 519 NH2 ARG A 33 66.643 94.362 52.585 1.00 3.57 N ATOM 0 H ARG A 33 62.305 89.535 49.696 1.00 0.71 H new ATOM 0 HA ARG A 33 64.586 88.113 50.835 1.00 0.88 H new ATOM 0 HB2 ARG A 33 63.007 90.581 51.674 1.00 1.03 H new ATOM 0 HB3 ARG A 33 64.372 89.946 52.572 1.00 1.03 H new ATOM 0 HG2 ARG A 33 64.968 90.370 49.716 1.00 1.22 H new ATOM 0 HG3 ARG A 33 64.491 91.838 50.546 1.00 1.22 H new ATOM 0 HD2 ARG A 33 66.292 90.416 52.273 1.00 1.65 H new ATOM 0 HD3 ARG A 33 67.004 90.436 50.671 1.00 1.65 H new ATOM 0 HE ARG A 33 67.390 92.714 50.882 1.00 2.30 H new ATOM 0 HH11 ARG A 33 64.961 91.700 53.249 1.00 2.66 H new ATOM 0 HH12 ARG A 33 64.935 93.270 54.059 1.00 2.66 H new ATOM 0 HH21 ARG A 33 67.344 94.717 51.935 1.00 3.57 H new ATOM 0 HH22 ARG A 33 66.275 94.967 53.319 1.00 3.57 H new ATOM 533 N ASN A 34 61.796 87.162 51.656 1.00 0.87 N ATOM 534 CA ASN A 34 60.983 86.367 52.569 1.00 0.95 C ATOM 535 C ASN A 34 59.927 85.578 51.799 1.00 0.88 C ATOM 536 O ASN A 34 58.736 85.885 51.858 1.00 0.97 O ATOM 537 CB ASN A 34 60.315 87.273 53.607 1.00 1.08 C ATOM 538 CG ASN A 34 61.000 87.211 54.958 1.00 1.19 C ATOM 539 OD1 ASN A 34 61.507 86.164 55.362 1.00 1.78 O ATOM 540 ND2 ASN A 34 61.017 88.335 55.666 1.00 0.96 N ATOM 0 H ASN A 34 61.472 87.157 50.689 1.00 0.87 H new ATOM 0 HA ASN A 34 61.633 85.660 53.085 1.00 0.95 H new ATOM 0 HB2 ASN A 34 60.323 88.301 53.246 1.00 1.08 H new ATOM 0 HB3 ASN A 34 59.270 86.983 53.719 1.00 1.08 H new ATOM 0 HD21 ASN A 34 61.463 88.353 56.583 1.00 0.96 H new ATOM 0 HD22 ASN A 34 60.584 89.180 55.292 1.00 0.96 H new ATOM 547 N PRO A 35 60.362 84.550 51.055 1.00 0.84 N ATOM 548 CA PRO A 35 59.466 83.707 50.253 1.00 0.85 C ATOM 549 C PRO A 35 58.306 83.130 51.060 1.00 1.04 C ATOM 550 O PRO A 35 57.273 82.765 50.499 1.00 2.03 O ATOM 551 CB PRO A 35 60.382 82.582 49.762 1.00 0.86 C ATOM 552 CG PRO A 35 61.750 83.170 49.780 1.00 0.89 C ATOM 553 CD PRO A 35 61.770 84.134 50.933 1.00 0.93 C ATOM 0 HA PRO A 35 58.991 84.277 49.454 1.00 0.85 H new ATOM 0 HB2 PRO A 35 60.318 81.708 50.411 1.00 0.86 H new ATOM 0 HB3 PRO A 35 60.105 82.255 48.760 1.00 0.86 H new ATOM 0 HG2 PRO A 35 62.506 82.395 49.906 1.00 0.89 H new ATOM 0 HG3 PRO A 35 61.968 83.679 48.841 1.00 0.89 H new ATOM 0 HD2 PRO A 35 62.130 83.660 51.846 1.00 0.93 H new ATOM 0 HD3 PRO A 35 62.424 84.983 50.735 1.00 0.93 H new ATOM 561 N ALA A 36 58.481 83.042 52.375 1.00 0.62 N ATOM 562 CA ALA A 36 57.447 82.501 53.251 1.00 0.64 C ATOM 563 C ALA A 36 56.077 83.101 52.942 1.00 0.57 C ATOM 564 O ALA A 36 55.048 82.460 53.154 1.00 0.61 O ATOM 565 CB ALA A 36 57.812 82.743 54.708 1.00 0.79 C ATOM 0 H ALA A 36 59.329 83.338 52.858 1.00 0.62 H new ATOM 0 HA ALA A 36 57.387 81.428 53.071 1.00 0.64 H new ATOM 0 HB1 ALA A 36 57.032 82.335 55.351 1.00 0.79 H new ATOM 0 HB2 ALA A 36 58.760 82.254 54.932 1.00 0.79 H new ATOM 0 HB3 ALA A 36 57.905 83.814 54.887 1.00 0.79 H new ATOM 571 N MET A 37 56.069 84.332 52.441 1.00 0.55 N ATOM 572 CA MET A 37 54.822 85.011 52.106 1.00 0.57 C ATOM 573 C MET A 37 54.842 85.493 50.659 1.00 0.56 C ATOM 574 O MET A 37 54.538 86.652 50.372 1.00 0.60 O ATOM 575 CB MET A 37 54.588 86.191 53.054 1.00 0.65 C ATOM 576 CG MET A 37 55.441 86.143 54.312 1.00 1.06 C ATOM 577 SD MET A 37 54.996 84.782 55.409 1.00 1.93 S ATOM 578 CE MET A 37 53.219 84.978 55.497 1.00 2.19 C ATOM 0 H MET A 37 56.910 84.879 52.258 1.00 0.55 H new ATOM 0 HA MET A 37 54.004 84.300 52.221 1.00 0.57 H new ATOM 0 HB2 MET A 37 54.794 87.120 52.522 1.00 0.65 H new ATOM 0 HB3 MET A 37 53.536 86.213 53.339 1.00 0.65 H new ATOM 0 HG2 MET A 37 56.490 86.048 54.031 1.00 1.06 H new ATOM 0 HG3 MET A 37 55.339 87.085 54.850 1.00 1.06 H new ATOM 0 HE1 MET A 37 52.857 84.592 56.450 1.00 2.19 H new ATOM 0 HE2 MET A 37 52.965 86.035 55.414 1.00 2.19 H new ATOM 0 HE3 MET A 37 52.751 84.427 54.681 1.00 2.19 H new ATOM 588 N TYR A 38 55.197 84.594 49.749 1.00 0.54 N ATOM 589 CA TYR A 38 55.255 84.921 48.330 1.00 0.57 C ATOM 590 C TYR A 38 53.862 84.890 47.711 1.00 0.52 C ATOM 591 O TYR A 38 53.577 85.622 46.763 1.00 0.56 O ATOM 592 CB TYR A 38 56.180 83.948 47.596 1.00 0.64 C ATOM 593 CG TYR A 38 55.484 82.702 47.096 1.00 0.68 C ATOM 594 CD1 TYR A 38 55.323 81.595 47.919 1.00 1.43 C ATOM 595 CD2 TYR A 38 54.992 82.632 45.798 1.00 1.31 C ATOM 596 CE1 TYR A 38 54.691 80.453 47.464 1.00 1.52 C ATOM 597 CE2 TYR A 38 54.358 81.494 45.336 1.00 1.48 C ATOM 598 CZ TYR A 38 54.211 80.408 46.172 1.00 1.10 C ATOM 599 OH TYR A 38 53.582 79.273 45.715 1.00 1.37 O ATOM 0 H TYR A 38 55.450 83.631 49.969 1.00 0.54 H new ATOM 0 HA TYR A 38 55.655 85.930 48.229 1.00 0.57 H new ATOM 0 HB2 TYR A 38 56.635 84.463 46.750 1.00 0.64 H new ATOM 0 HB3 TYR A 38 56.990 83.657 48.265 1.00 0.64 H new ATOM 0 HD1 TYR A 38 55.698 81.627 48.931 1.00 1.43 H new ATOM 0 HD2 TYR A 38 55.107 83.480 45.140 1.00 1.31 H new ATOM 0 HE1 TYR A 38 54.574 79.601 48.117 1.00 1.52 H new ATOM 0 HE2 TYR A 38 53.980 81.456 44.325 1.00 1.48 H new ATOM 0 HH TYR A 38 53.303 79.406 44.785 1.00 1.37 H new ATOM 609 N SER A 39 52.994 84.043 48.257 1.00 0.49 N ATOM 610 CA SER A 39 51.629 83.927 47.762 1.00 0.50 C ATOM 611 C SER A 39 50.674 84.705 48.661 1.00 0.47 C ATOM 612 O SER A 39 50.823 84.708 49.883 1.00 0.48 O ATOM 613 CB SER A 39 51.206 82.459 47.696 1.00 0.56 C ATOM 614 OG SER A 39 51.576 81.876 46.458 1.00 0.80 O ATOM 0 H SER A 39 53.213 83.428 49.041 1.00 0.49 H new ATOM 0 HA SER A 39 51.590 84.347 46.757 1.00 0.50 H new ATOM 0 HB2 SER A 39 51.669 81.907 48.514 1.00 0.56 H new ATOM 0 HB3 SER A 39 50.127 82.382 47.830 1.00 0.56 H new ATOM 0 HG SER A 39 52.544 81.720 46.446 1.00 0.80 H new ATOM 620 N GLU A 40 49.701 85.369 48.051 1.00 0.55 N ATOM 621 CA GLU A 40 48.732 86.156 48.803 1.00 0.58 C ATOM 622 C GLU A 40 48.160 85.355 49.968 1.00 0.54 C ATOM 623 O GLU A 40 48.081 85.848 51.093 1.00 0.53 O ATOM 624 CB GLU A 40 47.601 86.628 47.888 1.00 0.69 C ATOM 625 CG GLU A 40 47.732 88.080 47.457 1.00 1.17 C ATOM 626 CD GLU A 40 46.806 88.433 46.310 1.00 1.79 C ATOM 627 OE1 GLU A 40 47.120 88.065 45.159 1.00 2.40 O ATOM 628 OE2 GLU A 40 45.767 89.078 46.563 1.00 2.40 O ATOM 0 H GLU A 40 49.562 85.379 47.041 1.00 0.55 H new ATOM 0 HA GLU A 40 49.249 87.027 49.206 1.00 0.58 H new ATOM 0 HB2 GLU A 40 47.575 85.995 47.001 1.00 0.69 H new ATOM 0 HB3 GLU A 40 46.649 86.495 48.402 1.00 0.69 H new ATOM 0 HG2 GLU A 40 47.516 88.728 48.306 1.00 1.17 H new ATOM 0 HG3 GLU A 40 48.763 88.276 47.161 1.00 1.17 H new ATOM 635 N GLU A 41 47.760 84.119 49.693 1.00 0.56 N ATOM 636 CA GLU A 41 47.193 83.256 50.723 1.00 0.56 C ATOM 637 C GLU A 41 48.126 83.160 51.924 1.00 0.50 C ATOM 638 O GLU A 41 47.710 83.367 53.064 1.00 0.53 O ATOM 639 CB GLU A 41 46.921 81.860 50.160 1.00 0.62 C ATOM 640 CG GLU A 41 45.989 81.029 51.025 1.00 1.31 C ATOM 641 CD GLU A 41 44.583 81.595 51.077 1.00 1.97 C ATOM 642 OE1 GLU A 41 44.375 82.602 51.785 1.00 2.62 O ATOM 643 OE2 GLU A 41 43.691 81.030 50.410 1.00 2.54 O ATOM 0 H GLU A 41 47.817 83.693 48.768 1.00 0.56 H new ATOM 0 HA GLU A 41 46.251 83.695 51.051 1.00 0.56 H new ATOM 0 HB2 GLU A 41 46.490 81.956 49.164 1.00 0.62 H new ATOM 0 HB3 GLU A 41 47.868 81.331 50.048 1.00 0.62 H new ATOM 0 HG2 GLU A 41 45.953 80.010 50.639 1.00 1.31 H new ATOM 0 HG3 GLU A 41 46.392 80.972 52.036 1.00 1.31 H new ATOM 650 N ALA A 42 49.391 82.849 51.662 1.00 0.47 N ATOM 651 CA ALA A 42 50.382 82.731 52.723 1.00 0.43 C ATOM 652 C ALA A 42 50.471 84.024 53.521 1.00 0.40 C ATOM 653 O ALA A 42 50.498 84.006 54.752 1.00 0.39 O ATOM 654 CB ALA A 42 51.740 82.368 52.140 1.00 0.45 C ATOM 0 H ALA A 42 49.753 82.674 50.725 1.00 0.47 H new ATOM 0 HA ALA A 42 50.071 81.935 53.399 1.00 0.43 H new ATOM 0 HB1 ALA A 42 52.470 82.283 52.945 1.00 0.45 H new ATOM 0 HB2 ALA A 42 51.667 81.416 51.614 1.00 0.45 H new ATOM 0 HB3 ALA A 42 52.056 83.144 51.443 1.00 0.45 H new ATOM 660 N ARG A 43 50.507 85.145 52.812 1.00 0.40 N ATOM 661 CA ARG A 43 50.581 86.449 53.455 1.00 0.41 C ATOM 662 C ARG A 43 49.457 86.607 54.469 1.00 0.43 C ATOM 663 O ARG A 43 49.628 87.259 55.499 1.00 0.45 O ATOM 664 CB ARG A 43 50.514 87.566 52.412 1.00 0.45 C ATOM 665 CG ARG A 43 51.831 87.802 51.690 1.00 1.01 C ATOM 666 CD ARG A 43 51.617 88.491 50.352 1.00 1.11 C ATOM 667 NE ARG A 43 52.650 88.136 49.382 1.00 1.28 N ATOM 668 CZ ARG A 43 52.639 88.526 48.108 1.00 1.28 C ATOM 669 NH1 ARG A 43 51.650 89.279 47.642 1.00 1.62 N ATOM 670 NH2 ARG A 43 53.621 88.158 47.296 1.00 1.91 N ATOM 0 H ARG A 43 50.486 85.177 51.793 1.00 0.40 H new ATOM 0 HA ARG A 43 51.535 86.520 53.978 1.00 0.41 H new ATOM 0 HB2 ARG A 43 49.746 87.322 51.679 1.00 0.45 H new ATOM 0 HB3 ARG A 43 50.206 88.490 52.901 1.00 0.45 H new ATOM 0 HG2 ARG A 43 52.485 88.411 52.314 1.00 1.01 H new ATOM 0 HG3 ARG A 43 52.337 86.849 51.533 1.00 1.01 H new ATOM 0 HD2 ARG A 43 50.639 88.218 49.956 1.00 1.11 H new ATOM 0 HD3 ARG A 43 51.612 89.571 50.497 1.00 1.11 H new ATOM 0 HE ARG A 43 53.426 87.555 49.699 1.00 1.28 H new ATOM 0 HH11 ARG A 43 50.891 89.564 48.261 1.00 1.62 H new ATOM 0 HH12 ARG A 43 51.650 89.573 46.665 1.00 1.62 H new ATOM 0 HH21 ARG A 43 54.383 87.578 47.647 1.00 1.91 H new ATOM 0 HH22 ARG A 43 53.615 88.455 46.320 1.00 1.91 H new ATOM 684 N LEU A 44 48.309 86.002 54.181 1.00 0.45 N ATOM 685 CA LEU A 44 47.171 86.079 55.084 1.00 0.48 C ATOM 686 C LEU A 44 47.579 85.638 56.481 1.00 0.49 C ATOM 687 O LEU A 44 47.312 86.331 57.462 1.00 0.51 O ATOM 688 CB LEU A 44 46.021 85.209 54.571 1.00 0.55 C ATOM 689 CG LEU A 44 44.643 85.557 55.136 1.00 0.90 C ATOM 690 CD1 LEU A 44 44.357 87.042 54.971 1.00 1.62 C ATOM 691 CD2 LEU A 44 43.565 84.726 54.456 1.00 1.62 C ATOM 0 H LEU A 44 48.145 85.457 53.335 1.00 0.45 H new ATOM 0 HA LEU A 44 46.831 87.114 55.126 1.00 0.48 H new ATOM 0 HB2 LEU A 44 45.982 85.289 53.485 1.00 0.55 H new ATOM 0 HB3 LEU A 44 46.241 84.168 54.806 1.00 0.55 H new ATOM 0 HG LEU A 44 44.638 85.324 56.201 1.00 0.90 H new ATOM 0 HD11 LEU A 44 43.372 87.270 55.379 1.00 1.62 H new ATOM 0 HD12 LEU A 44 45.113 87.619 55.503 1.00 1.62 H new ATOM 0 HD13 LEU A 44 44.381 87.302 53.913 1.00 1.62 H new ATOM 0 HD21 LEU A 44 42.590 84.986 54.869 1.00 1.62 H new ATOM 0 HD22 LEU A 44 43.571 84.929 53.385 1.00 1.62 H new ATOM 0 HD23 LEU A 44 43.761 83.667 54.626 1.00 1.62 H new ATOM 703 N LYS A 45 48.242 84.488 56.567 1.00 0.48 N ATOM 704 CA LYS A 45 48.698 83.977 57.850 1.00 0.51 C ATOM 705 C LYS A 45 49.505 85.043 58.576 1.00 0.48 C ATOM 706 O LYS A 45 49.412 85.185 59.795 1.00 0.52 O ATOM 707 CB LYS A 45 49.543 82.716 57.657 1.00 0.55 C ATOM 708 CG LYS A 45 49.452 81.740 58.818 1.00 1.50 C ATOM 709 CD LYS A 45 50.783 81.607 59.542 1.00 2.40 C ATOM 710 CE LYS A 45 51.701 80.619 58.842 1.00 3.30 C ATOM 711 NZ LYS A 45 52.040 81.059 57.460 1.00 4.06 N ATOM 0 H LYS A 45 48.473 83.898 55.768 1.00 0.48 H new ATOM 0 HA LYS A 45 47.827 83.719 58.452 1.00 0.51 H new ATOM 0 HB2 LYS A 45 49.226 82.212 56.744 1.00 0.55 H new ATOM 0 HB3 LYS A 45 50.585 83.005 57.516 1.00 0.55 H new ATOM 0 HG2 LYS A 45 48.688 82.077 59.519 1.00 1.50 H new ATOM 0 HG3 LYS A 45 49.138 80.763 58.450 1.00 1.50 H new ATOM 0 HD2 LYS A 45 51.268 82.581 59.595 1.00 2.40 H new ATOM 0 HD3 LYS A 45 50.610 81.281 60.567 1.00 2.40 H new ATOM 0 HE2 LYS A 45 52.617 80.502 59.421 1.00 3.30 H new ATOM 0 HE3 LYS A 45 51.221 79.641 58.804 1.00 3.30 H new ATOM 0 HZ1 LYS A 45 52.818 80.476 57.091 1.00 4.06 H new ATOM 0 HZ2 LYS A 45 51.206 80.952 56.847 1.00 4.06 H new ATOM 0 HZ3 LYS A 45 52.332 82.057 57.475 1.00 4.06 H new ATOM 725 N SER A 46 50.299 85.790 57.813 1.00 0.43 N ATOM 726 CA SER A 46 51.127 86.846 58.373 1.00 0.45 C ATOM 727 C SER A 46 50.317 87.724 59.313 1.00 0.45 C ATOM 728 O SER A 46 50.794 88.104 60.382 1.00 0.45 O ATOM 729 CB SER A 46 51.733 87.698 57.256 1.00 0.46 C ATOM 730 OG SER A 46 51.010 88.905 57.086 1.00 0.47 O ATOM 0 H SER A 46 50.384 85.680 56.802 1.00 0.43 H new ATOM 0 HA SER A 46 51.933 86.380 58.940 1.00 0.45 H new ATOM 0 HB2 SER A 46 52.773 87.924 57.490 1.00 0.46 H new ATOM 0 HB3 SER A 46 51.731 87.135 56.323 1.00 0.46 H new ATOM 0 HG SER A 46 50.275 88.760 56.454 1.00 0.47 H new ATOM 736 N PHE A 47 49.084 88.041 58.920 1.00 0.50 N ATOM 737 CA PHE A 47 48.217 88.879 59.746 1.00 0.55 C ATOM 738 C PHE A 47 47.376 88.048 60.719 1.00 0.61 C ATOM 739 O PHE A 47 46.240 88.412 61.024 1.00 1.09 O ATOM 740 CB PHE A 47 47.284 89.718 58.869 1.00 0.57 C ATOM 741 CG PHE A 47 47.872 90.117 57.544 1.00 0.46 C ATOM 742 CD1 PHE A 47 48.758 91.178 57.455 1.00 1.20 C ATOM 743 CD2 PHE A 47 47.524 89.440 56.386 1.00 1.30 C ATOM 744 CE1 PHE A 47 49.287 91.557 56.234 1.00 1.22 C ATOM 745 CE2 PHE A 47 48.052 89.812 55.164 1.00 1.27 C ATOM 746 CZ PHE A 47 48.933 90.872 55.087 1.00 0.36 C ATOM 0 H PHE A 47 48.666 87.733 58.042 1.00 0.50 H new ATOM 0 HA PHE A 47 48.869 89.533 60.325 1.00 0.55 H new ATOM 0 HB2 PHE A 47 46.368 89.155 58.692 1.00 0.57 H new ATOM 0 HB3 PHE A 47 47.004 90.619 59.415 1.00 0.57 H new ATOM 0 HD1 PHE A 47 49.039 91.715 58.349 1.00 1.20 H new ATOM 0 HD2 PHE A 47 46.832 88.612 56.439 1.00 1.30 H new ATOM 0 HE1 PHE A 47 49.976 92.387 56.177 1.00 1.22 H new ATOM 0 HE2 PHE A 47 47.775 89.274 54.270 1.00 1.27 H new ATOM 0 HZ PHE A 47 49.345 91.165 54.133 1.00 0.36 H new ATOM 756 N GLN A 48 47.930 86.944 61.215 1.00 0.46 N ATOM 757 CA GLN A 48 47.209 86.097 62.157 1.00 0.52 C ATOM 758 C GLN A 48 46.650 86.938 63.299 1.00 0.75 C ATOM 759 O GLN A 48 47.402 87.454 64.125 1.00 1.74 O ATOM 760 CB GLN A 48 48.130 85.009 62.710 1.00 0.77 C ATOM 761 CG GLN A 48 47.819 83.620 62.177 1.00 1.63 C ATOM 762 CD GLN A 48 48.875 82.601 62.557 1.00 2.22 C ATOM 763 OE1 GLN A 48 50.121 82.876 62.189 1.00 2.66 O flip ATOM 764 NE2 GLN A 48 48.575 81.580 63.175 1.00 2.84 N flip ATOM 0 H GLN A 48 48.868 86.618 60.982 1.00 0.46 H new ATOM 0 HA GLN A 48 46.382 85.620 61.631 1.00 0.52 H new ATOM 0 HB2 GLN A 48 49.162 85.260 62.466 1.00 0.77 H new ATOM 0 HB3 GLN A 48 48.053 84.998 63.797 1.00 0.77 H new ATOM 0 HG2 GLN A 48 46.852 83.296 62.560 1.00 1.63 H new ATOM 0 HG3 GLN A 48 47.734 83.662 61.091 1.00 1.63 H new ATOM 0 HE21 GLN A 48 47.604 81.409 63.438 1.00 2.84 H new ATOM 0 HE22 GLN A 48 49.297 80.904 63.425 1.00 2.84 H new ATOM 773 N ASN A 49 45.329 87.082 63.329 1.00 1.03 N ATOM 774 CA ASN A 49 44.668 87.873 64.361 1.00 1.41 C ATOM 775 C ASN A 49 44.870 89.362 64.101 1.00 1.49 C ATOM 776 O ASN A 49 45.275 90.112 64.989 1.00 2.44 O ATOM 777 CB ASN A 49 45.204 87.506 65.747 1.00 1.67 C ATOM 778 CG ASN A 49 44.173 87.715 66.838 1.00 2.22 C ATOM 779 OD1 ASN A 49 43.355 86.837 67.112 1.00 2.69 O ATOM 780 ND2 ASN A 49 44.208 88.883 67.469 1.00 2.95 N ATOM 0 H ASN A 49 44.695 86.661 62.650 1.00 1.03 H new ATOM 0 HA ASN A 49 43.601 87.651 64.330 1.00 1.41 H new ATOM 0 HB2 ASN A 49 45.522 86.464 65.746 1.00 1.67 H new ATOM 0 HB3 ASN A 49 46.086 88.108 65.964 1.00 1.67 H new ATOM 0 HD21 ASN A 49 43.539 89.081 68.213 1.00 2.95 H new ATOM 0 HD22 ASN A 49 44.904 89.582 67.209 1.00 2.95 H new ATOM 787 N TRP A 50 44.577 89.782 62.874 1.00 0.80 N ATOM 788 CA TRP A 50 44.714 91.179 62.481 1.00 0.82 C ATOM 789 C TRP A 50 43.690 92.041 63.225 1.00 1.04 C ATOM 790 O TRP A 50 42.490 91.775 63.157 1.00 1.49 O ATOM 791 CB TRP A 50 44.515 91.303 60.968 1.00 0.99 C ATOM 792 CG TRP A 50 44.736 92.683 60.421 1.00 0.83 C ATOM 793 CD1 TRP A 50 43.818 93.456 59.772 1.00 0.75 C ATOM 794 CD2 TRP A 50 45.949 93.448 60.457 1.00 0.79 C ATOM 795 NE1 TRP A 50 44.385 94.649 59.395 1.00 0.65 N ATOM 796 CE2 TRP A 50 45.689 94.669 59.806 1.00 0.68 C ATOM 797 CE3 TRP A 50 47.228 93.222 60.973 1.00 0.88 C ATOM 798 CZ2 TRP A 50 46.656 95.657 59.658 1.00 0.68 C ATOM 799 CZ3 TRP A 50 48.187 94.208 60.826 1.00 0.87 C ATOM 800 CH2 TRP A 50 47.897 95.411 60.174 1.00 0.78 C ATOM 0 H TRP A 50 44.241 89.169 62.131 1.00 0.80 H new ATOM 0 HA TRP A 50 45.712 91.531 62.741 1.00 0.82 H new ATOM 0 HB2 TRP A 50 45.196 90.614 60.467 1.00 0.99 H new ATOM 0 HB3 TRP A 50 43.502 90.986 60.721 1.00 0.99 H new ATOM 0 HD1 TRP A 50 42.794 93.171 59.582 1.00 0.75 H new ATOM 0 HE1 TRP A 50 43.911 95.398 58.891 1.00 0.65 H new ATOM 0 HE3 TRP A 50 47.463 92.296 61.477 1.00 0.88 H new ATOM 0 HZ2 TRP A 50 46.434 96.586 59.153 1.00 0.68 H new ATOM 0 HZ3 TRP A 50 49.179 94.046 61.222 1.00 0.87 H new ATOM 0 HH2 TRP A 50 48.669 96.160 60.077 1.00 0.78 H new ATOM 811 N PRO A 51 44.139 93.082 63.954 1.00 1.29 N ATOM 812 CA PRO A 51 43.235 93.957 64.708 1.00 1.74 C ATOM 813 C PRO A 51 42.160 94.584 63.828 1.00 1.59 C ATOM 814 O PRO A 51 42.133 94.376 62.615 1.00 2.19 O ATOM 815 CB PRO A 51 44.159 95.043 65.280 1.00 2.31 C ATOM 816 CG PRO A 51 45.430 94.929 64.510 1.00 2.31 C ATOM 817 CD PRO A 51 45.543 93.487 64.112 1.00 1.69 C ATOM 0 HA PRO A 51 42.690 93.403 65.472 1.00 1.74 H new ATOM 0 HB2 PRO A 51 43.718 96.033 65.166 1.00 2.31 H new ATOM 0 HB3 PRO A 51 44.331 94.891 66.346 1.00 2.31 H new ATOM 0 HG2 PRO A 51 45.414 95.576 63.633 1.00 2.31 H new ATOM 0 HG3 PRO A 51 46.283 95.235 65.116 1.00 2.31 H new ATOM 0 HD2 PRO A 51 46.106 93.366 63.186 1.00 1.69 H new ATOM 0 HD3 PRO A 51 46.051 92.896 64.874 1.00 1.69 H new ATOM 825 N ASP A 52 41.278 95.356 64.453 1.00 1.43 N ATOM 826 CA ASP A 52 40.198 96.023 63.734 1.00 1.68 C ATOM 827 C ASP A 52 40.442 97.532 63.621 1.00 1.51 C ATOM 828 O ASP A 52 39.612 98.256 63.072 1.00 1.96 O ATOM 829 CB ASP A 52 38.862 95.767 64.432 1.00 2.43 C ATOM 830 CG ASP A 52 37.788 95.300 63.469 1.00 3.00 C ATOM 831 OD1 ASP A 52 37.259 96.145 62.716 1.00 3.53 O ATOM 832 OD2 ASP A 52 37.476 94.091 63.467 1.00 3.51 O ATOM 0 H ASP A 52 41.289 95.536 65.457 1.00 1.43 H new ATOM 0 HA ASP A 52 40.168 95.609 62.726 1.00 1.68 H new ATOM 0 HB2 ASP A 52 39.000 95.017 65.210 1.00 2.43 H new ATOM 0 HB3 ASP A 52 38.532 96.681 64.925 1.00 2.43 H new ATOM 837 N TYR A 53 41.578 98.005 64.137 1.00 1.19 N ATOM 838 CA TYR A 53 41.905 99.425 64.080 1.00 1.11 C ATOM 839 C TYR A 53 43.320 99.667 63.543 1.00 0.87 C ATOM 840 O TYR A 53 43.777 100.810 63.521 1.00 1.23 O ATOM 841 CB TYR A 53 41.775 100.046 65.471 1.00 1.39 C ATOM 842 CG TYR A 53 42.892 99.654 66.412 1.00 1.43 C ATOM 843 CD1 TYR A 53 44.113 100.317 66.385 1.00 1.97 C ATOM 844 CD2 TYR A 53 42.728 98.618 67.322 1.00 1.88 C ATOM 845 CE1 TYR A 53 45.138 99.959 67.239 1.00 2.14 C ATOM 846 CE2 TYR A 53 43.749 98.255 68.181 1.00 2.08 C ATOM 847 CZ TYR A 53 44.952 98.927 68.134 1.00 1.88 C ATOM 848 OH TYR A 53 45.971 98.568 68.986 1.00 2.20 O ATOM 0 H TYR A 53 42.282 97.427 64.596 1.00 1.19 H new ATOM 0 HA TYR A 53 41.201 99.895 63.393 1.00 1.11 H new ATOM 0 HB2 TYR A 53 41.755 101.132 65.375 1.00 1.39 H new ATOM 0 HB3 TYR A 53 40.822 99.747 65.906 1.00 1.39 H new ATOM 0 HD1 TYR A 53 44.263 101.125 65.685 1.00 1.97 H new ATOM 0 HD2 TYR A 53 41.788 98.087 67.359 1.00 1.88 H new ATOM 0 HE1 TYR A 53 46.081 100.485 67.206 1.00 2.14 H new ATOM 0 HE2 TYR A 53 43.605 97.449 68.885 1.00 2.08 H new ATOM 0 HH TYR A 53 45.677 97.825 69.553 1.00 2.20 H new ATOM 858 N ALA A 54 44.011 98.592 63.130 1.00 0.60 N ATOM 859 CA ALA A 54 45.374 98.692 62.610 1.00 0.68 C ATOM 860 C ALA A 54 45.571 99.936 61.757 1.00 0.84 C ATOM 861 O ALA A 54 46.268 100.861 62.161 1.00 1.75 O ATOM 862 CB ALA A 54 45.721 97.451 61.813 1.00 0.74 C ATOM 0 H ALA A 54 43.641 97.642 63.149 1.00 0.60 H new ATOM 0 HA ALA A 54 46.045 98.773 63.465 1.00 0.68 H new ATOM 0 HB1 ALA A 54 46.738 97.537 61.431 1.00 0.74 H new ATOM 0 HB2 ALA A 54 45.648 96.574 62.456 1.00 0.74 H new ATOM 0 HB3 ALA A 54 45.027 97.349 60.979 1.00 0.74 H new ATOM 868 N HIS A 55 44.942 99.956 60.589 1.00 0.56 N ATOM 869 CA HIS A 55 45.031 101.095 59.678 1.00 0.54 C ATOM 870 C HIS A 55 44.467 100.732 58.315 1.00 0.50 C ATOM 871 O HIS A 55 43.805 101.544 57.668 1.00 0.63 O ATOM 872 CB HIS A 55 46.480 101.574 59.521 1.00 0.70 C ATOM 873 CG HIS A 55 46.787 102.806 60.318 1.00 0.67 C ATOM 874 ND1 HIS A 55 47.699 102.995 61.303 1.00 1.15 N flip ATOM 875 CD2 HIS A 55 46.107 103.980 60.107 1.00 0.57 C flip ATOM 876 CE1 HIS A 55 47.581 104.300 61.707 1.00 1.21 C flip ATOM 877 NE2 HIS A 55 46.612 104.851 60.961 1.00 0.84 N flip ATOM 0 H HIS A 55 44.360 99.192 60.246 1.00 0.56 H new ATOM 0 HA HIS A 55 44.443 101.905 60.110 1.00 0.54 H new ATOM 0 HB2 HIS A 55 47.155 100.774 59.827 1.00 0.70 H new ATOM 0 HB3 HIS A 55 46.678 101.773 58.468 1.00 0.70 H new ATOM 0 HD1 HIS A 55 48.348 102.300 61.672 1.00 1.15 H new ATOM 0 HD2 HIS A 55 45.320 104.155 59.389 1.00 0.57 H new ATOM 0 HE1 HIS A 55 48.157 104.790 62.478 1.00 1.21 H new ATOM 885 N LEU A 56 44.743 99.509 57.882 1.00 0.44 N ATOM 886 CA LEU A 56 44.277 99.037 56.584 1.00 0.53 C ATOM 887 C LEU A 56 43.896 97.561 56.639 1.00 0.50 C ATOM 888 O LEU A 56 44.091 96.898 57.658 1.00 0.82 O ATOM 889 CB LEU A 56 45.372 99.264 55.542 1.00 0.66 C ATOM 890 CG LEU A 56 45.689 100.734 55.255 1.00 0.96 C ATOM 891 CD1 LEU A 56 47.189 100.942 55.144 1.00 1.14 C ATOM 892 CD2 LEU A 56 44.991 101.188 53.982 1.00 1.22 C ATOM 0 H LEU A 56 45.287 98.826 58.410 1.00 0.44 H new ATOM 0 HA LEU A 56 43.385 99.599 56.306 1.00 0.53 H new ATOM 0 HB2 LEU A 56 46.283 98.769 55.879 1.00 0.66 H new ATOM 0 HB3 LEU A 56 45.074 98.783 54.611 1.00 0.66 H new ATOM 0 HG LEU A 56 45.319 101.337 56.085 1.00 0.96 H new ATOM 0 HD11 LEU A 56 47.397 101.992 54.940 1.00 1.14 H new ATOM 0 HD12 LEU A 56 47.667 100.653 56.080 1.00 1.14 H new ATOM 0 HD13 LEU A 56 47.582 100.330 54.332 1.00 1.14 H new ATOM 0 HD21 LEU A 56 45.226 102.235 53.792 1.00 1.22 H new ATOM 0 HD22 LEU A 56 45.333 100.581 53.143 1.00 1.22 H new ATOM 0 HD23 LEU A 56 43.913 101.073 54.097 1.00 1.22 H new ATOM 904 N THR A 57 43.352 97.051 55.537 1.00 0.54 N ATOM 905 CA THR A 57 42.944 95.653 55.463 1.00 0.53 C ATOM 906 C THR A 57 44.163 94.735 55.409 1.00 0.48 C ATOM 907 O THR A 57 45.204 95.104 54.867 1.00 0.54 O ATOM 908 CB THR A 57 42.059 95.422 54.236 1.00 0.62 C ATOM 909 OG1 THR A 57 42.432 96.287 53.179 1.00 0.74 O ATOM 910 CG2 THR A 57 40.587 95.643 54.512 1.00 0.74 C ATOM 0 H THR A 57 43.184 97.585 54.684 1.00 0.54 H new ATOM 0 HA THR A 57 42.373 95.417 56.361 1.00 0.53 H new ATOM 0 HB THR A 57 42.209 94.378 53.963 1.00 0.62 H new ATOM 0 HG1 THR A 57 41.762 96.239 52.465 1.00 0.74 H new ATOM 0 HG21 THR A 57 40.015 95.463 53.602 1.00 0.74 H new ATOM 0 HG22 THR A 57 40.256 94.956 55.291 1.00 0.74 H new ATOM 0 HG23 THR A 57 40.429 96.669 54.843 1.00 0.74 H new ATOM 918 N PRO A 58 44.048 93.522 55.969 1.00 0.44 N ATOM 919 CA PRO A 58 45.148 92.553 55.981 1.00 0.44 C ATOM 920 C PRO A 58 45.453 92.016 54.595 1.00 0.40 C ATOM 921 O PRO A 58 46.603 92.003 54.160 1.00 0.42 O ATOM 922 CB PRO A 58 44.636 91.436 56.893 1.00 0.48 C ATOM 923 CG PRO A 58 43.150 91.544 56.841 1.00 0.46 C ATOM 924 CD PRO A 58 42.837 93.000 56.627 1.00 0.45 C ATOM 0 HA PRO A 58 46.081 92.999 56.325 1.00 0.44 H new ATOM 0 HB2 PRO A 58 44.973 90.459 56.547 1.00 0.48 H new ATOM 0 HB3 PRO A 58 45.005 91.558 57.911 1.00 0.48 H new ATOM 0 HG2 PRO A 58 42.745 90.937 56.032 1.00 0.46 H new ATOM 0 HG3 PRO A 58 42.702 91.182 57.766 1.00 0.46 H new ATOM 0 HD2 PRO A 58 41.953 93.133 56.003 1.00 0.45 H new ATOM 0 HD3 PRO A 58 42.641 93.511 57.570 1.00 0.45 H new ATOM 932 N ARG A 59 44.417 91.579 53.900 1.00 0.42 N ATOM 933 CA ARG A 59 44.593 91.054 52.558 1.00 0.43 C ATOM 934 C ARG A 59 45.270 92.098 51.681 1.00 0.45 C ATOM 935 O ARG A 59 46.329 91.838 51.115 1.00 0.64 O ATOM 936 CB ARG A 59 43.263 90.616 51.954 1.00 0.50 C ATOM 937 CG ARG A 59 43.256 89.148 51.563 1.00 0.55 C ATOM 938 CD ARG A 59 42.194 88.364 52.319 1.00 0.63 C ATOM 939 NE ARG A 59 41.123 87.905 51.437 1.00 1.13 N ATOM 940 CZ ARG A 59 41.266 86.933 50.538 1.00 1.77 C ATOM 941 NH1 ARG A 59 42.431 86.310 50.397 1.00 2.42 N ATOM 942 NH2 ARG A 59 40.240 86.583 49.775 1.00 2.37 N ATOM 0 H ARG A 59 43.455 91.577 54.239 1.00 0.42 H new ATOM 0 HA ARG A 59 45.230 90.171 52.613 1.00 0.43 H new ATOM 0 HB2 ARG A 59 42.464 90.801 52.671 1.00 0.50 H new ATOM 0 HB3 ARG A 59 43.049 91.224 51.075 1.00 0.50 H new ATOM 0 HG2 ARG A 59 43.079 89.059 50.491 1.00 0.55 H new ATOM 0 HG3 ARG A 59 44.236 88.715 51.761 1.00 0.55 H new ATOM 0 HD2 ARG A 59 42.655 87.505 52.807 1.00 0.63 H new ATOM 0 HD3 ARG A 59 41.773 88.989 53.106 1.00 0.63 H new ATOM 0 HE ARG A 59 40.211 88.356 51.515 1.00 1.13 H new ATOM 0 HH11 ARG A 59 43.225 86.575 50.980 1.00 2.42 H new ATOM 0 HH12 ARG A 59 42.531 85.567 49.706 1.00 2.42 H new ATOM 0 HH21 ARG A 59 39.343 87.058 49.877 1.00 2.37 H new ATOM 0 HH22 ARG A 59 40.347 85.839 49.086 1.00 2.37 H new ATOM 956 N GLU A 60 44.642 93.270 51.569 1.00 0.46 N ATOM 957 CA GLU A 60 45.178 94.364 50.759 1.00 0.49 C ATOM 958 C GLU A 60 46.685 94.488 50.949 1.00 0.46 C ATOM 959 O GLU A 60 47.425 94.704 49.989 1.00 0.50 O ATOM 960 CB GLU A 60 44.494 95.682 51.128 1.00 0.54 C ATOM 961 CG GLU A 60 44.677 96.775 50.088 1.00 1.00 C ATOM 962 CD GLU A 60 43.438 97.633 49.921 1.00 1.62 C ATOM 963 OE1 GLU A 60 42.330 97.064 49.827 1.00 2.21 O ATOM 964 OE2 GLU A 60 43.576 98.874 49.884 1.00 2.34 O ATOM 0 H GLU A 60 43.759 93.486 52.031 1.00 0.46 H new ATOM 0 HA GLU A 60 44.978 94.142 49.711 1.00 0.49 H new ATOM 0 HB2 GLU A 60 43.428 95.501 51.269 1.00 0.54 H new ATOM 0 HB3 GLU A 60 44.888 96.031 52.083 1.00 0.54 H new ATOM 0 HG2 GLU A 60 45.517 97.408 50.375 1.00 1.00 H new ATOM 0 HG3 GLU A 60 44.932 96.321 49.130 1.00 1.00 H new ATOM 971 N LEU A 61 47.139 94.322 52.189 1.00 0.43 N ATOM 972 CA LEU A 61 48.566 94.389 52.486 1.00 0.43 C ATOM 973 C LEU A 61 49.297 93.307 51.702 1.00 0.39 C ATOM 974 O LEU A 61 50.273 93.576 50.994 1.00 0.42 O ATOM 975 CB LEU A 61 48.818 94.221 53.987 1.00 0.45 C ATOM 976 CG LEU A 61 48.195 95.300 54.874 1.00 0.49 C ATOM 977 CD1 LEU A 61 47.822 94.725 56.231 1.00 0.60 C ATOM 978 CD2 LEU A 61 49.150 96.472 55.041 1.00 0.75 C ATOM 0 H LEU A 61 46.544 94.142 52.998 1.00 0.43 H new ATOM 0 HA LEU A 61 48.943 95.368 52.190 1.00 0.43 H new ATOM 0 HB2 LEU A 61 48.433 93.250 54.298 1.00 0.45 H new ATOM 0 HB3 LEU A 61 49.894 94.207 54.160 1.00 0.45 H new ATOM 0 HG LEU A 61 47.288 95.660 54.389 1.00 0.49 H new ATOM 0 HD11 LEU A 61 47.380 95.507 56.849 1.00 0.60 H new ATOM 0 HD12 LEU A 61 47.102 93.917 56.099 1.00 0.60 H new ATOM 0 HD13 LEU A 61 48.716 94.338 56.720 1.00 0.60 H new ATOM 0 HD21 LEU A 61 48.689 97.229 55.675 1.00 0.75 H new ATOM 0 HD22 LEU A 61 50.074 96.125 55.503 1.00 0.75 H new ATOM 0 HD23 LEU A 61 49.372 96.902 54.065 1.00 0.75 H new ATOM 990 N ALA A 62 48.790 92.084 51.798 1.00 0.41 N ATOM 991 CA ALA A 62 49.367 90.970 51.065 1.00 0.42 C ATOM 992 C ALA A 62 49.438 91.332 49.591 1.00 0.41 C ATOM 993 O ALA A 62 50.500 91.270 48.974 1.00 0.50 O ATOM 994 CB ALA A 62 48.539 89.710 51.270 1.00 0.46 C ATOM 0 H ALA A 62 47.984 91.842 52.374 1.00 0.41 H new ATOM 0 HA ALA A 62 50.372 90.771 51.437 1.00 0.42 H new ATOM 0 HB1 ALA A 62 48.986 88.886 50.714 1.00 0.46 H new ATOM 0 HB2 ALA A 62 48.513 89.460 52.331 1.00 0.46 H new ATOM 0 HB3 ALA A 62 47.523 89.880 50.913 1.00 0.46 H new ATOM 1000 N SER A 63 48.297 91.732 49.038 1.00 0.43 N ATOM 1001 CA SER A 63 48.233 92.134 47.637 1.00 0.45 C ATOM 1002 C SER A 63 49.272 93.216 47.349 1.00 0.44 C ATOM 1003 O SER A 63 49.738 93.359 46.219 1.00 0.49 O ATOM 1004 CB SER A 63 46.836 92.657 47.294 1.00 0.56 C ATOM 1005 OG SER A 63 46.206 91.833 46.328 1.00 1.23 O ATOM 0 H SER A 63 47.408 91.786 49.536 1.00 0.43 H new ATOM 0 HA SER A 63 48.446 91.261 47.020 1.00 0.45 H new ATOM 0 HB2 SER A 63 46.227 92.695 48.197 1.00 0.56 H new ATOM 0 HB3 SER A 63 46.909 93.676 46.915 1.00 0.56 H new ATOM 0 HG SER A 63 46.165 90.912 46.660 1.00 1.23 H new ATOM 1011 N ALA A 64 49.634 93.971 48.386 1.00 0.48 N ATOM 1012 CA ALA A 64 50.620 95.034 48.258 1.00 0.59 C ATOM 1013 C ALA A 64 52.042 94.523 48.513 1.00 0.59 C ATOM 1014 O ALA A 64 53.001 95.292 48.458 1.00 0.93 O ATOM 1015 CB ALA A 64 50.284 96.162 49.220 1.00 0.72 C ATOM 0 H ALA A 64 49.255 93.862 49.327 1.00 0.48 H new ATOM 0 HA ALA A 64 50.586 95.405 47.234 1.00 0.59 H new ATOM 0 HB1 ALA A 64 51.024 96.956 49.122 1.00 0.72 H new ATOM 0 HB2 ALA A 64 49.295 96.557 48.987 1.00 0.72 H new ATOM 0 HB3 ALA A 64 50.292 95.783 50.242 1.00 0.72 H new ATOM 1021 N GLY A 65 52.177 93.223 48.785 1.00 0.43 N ATOM 1022 CA GLY A 65 53.485 92.646 49.032 1.00 0.44 C ATOM 1023 C GLY A 65 53.998 92.952 50.421 1.00 0.41 C ATOM 1024 O GLY A 65 55.207 93.053 50.636 1.00 0.44 O ATOM 0 H GLY A 65 51.402 92.563 48.838 1.00 0.43 H new ATOM 0 HA2 GLY A 65 53.434 91.566 48.897 1.00 0.44 H new ATOM 0 HA3 GLY A 65 54.192 93.027 48.295 1.00 0.44 H new ATOM 1028 N LEU A 66 53.079 93.104 51.368 1.00 0.41 N ATOM 1029 CA LEU A 66 53.445 93.409 52.743 1.00 0.38 C ATOM 1030 C LEU A 66 53.183 92.221 53.661 1.00 0.38 C ATOM 1031 O LEU A 66 52.092 91.650 53.658 1.00 0.39 O ATOM 1032 CB LEU A 66 52.657 94.623 53.232 1.00 0.39 C ATOM 1033 CG LEU A 66 53.317 95.972 52.957 1.00 0.39 C ATOM 1034 CD1 LEU A 66 52.287 97.089 52.988 1.00 0.44 C ATOM 1035 CD2 LEU A 66 54.420 96.230 53.969 1.00 0.36 C ATOM 0 H LEU A 66 52.075 93.021 51.207 1.00 0.41 H new ATOM 0 HA LEU A 66 54.512 93.630 52.769 1.00 0.38 H new ATOM 0 HB2 LEU A 66 51.674 94.613 52.761 1.00 0.39 H new ATOM 0 HB3 LEU A 66 52.497 94.525 54.306 1.00 0.39 H new ATOM 0 HG LEU A 66 53.758 95.948 51.961 1.00 0.39 H new ATOM 0 HD11 LEU A 66 52.778 98.042 52.790 1.00 0.44 H new ATOM 0 HD12 LEU A 66 51.529 96.906 52.227 1.00 0.44 H new ATOM 0 HD13 LEU A 66 51.815 97.121 53.970 1.00 0.44 H new ATOM 0 HD21 LEU A 66 54.884 97.195 53.764 1.00 0.36 H new ATOM 0 HD22 LEU A 66 53.998 96.237 54.974 1.00 0.36 H new ATOM 0 HD23 LEU A 66 55.171 95.443 53.897 1.00 0.36 H new ATOM 1047 N TYR A 67 54.184 91.865 54.456 1.00 0.37 N ATOM 1048 CA TYR A 67 54.060 90.758 55.392 1.00 0.39 C ATOM 1049 C TYR A 67 54.140 91.267 56.827 1.00 0.36 C ATOM 1050 O TYR A 67 55.089 91.959 57.201 1.00 0.38 O ATOM 1051 CB TYR A 67 55.147 89.711 55.137 1.00 0.45 C ATOM 1052 CG TYR A 67 56.544 90.169 55.491 1.00 0.40 C ATOM 1053 CD1 TYR A 67 57.215 91.096 54.703 1.00 1.22 C ATOM 1054 CD2 TYR A 67 57.197 89.666 56.610 1.00 1.28 C ATOM 1055 CE1 TYR A 67 58.496 91.508 55.019 1.00 1.27 C ATOM 1056 CE2 TYR A 67 58.477 90.074 56.934 1.00 1.30 C ATOM 1057 CZ TYR A 67 59.122 90.994 56.135 1.00 0.55 C ATOM 1058 OH TYR A 67 60.398 91.400 56.451 1.00 0.70 O ATOM 0 H TYR A 67 55.092 92.329 54.470 1.00 0.37 H new ATOM 0 HA TYR A 67 53.088 90.287 55.242 1.00 0.39 H new ATOM 0 HB2 TYR A 67 54.914 88.814 55.712 1.00 0.45 H new ATOM 0 HB3 TYR A 67 55.125 89.430 54.084 1.00 0.45 H new ATOM 0 HD1 TYR A 67 56.727 91.501 53.829 1.00 1.22 H new ATOM 0 HD2 TYR A 67 56.695 88.944 57.237 1.00 1.28 H new ATOM 0 HE1 TYR A 67 59.004 92.229 54.395 1.00 1.27 H new ATOM 0 HE2 TYR A 67 58.969 89.674 57.808 1.00 1.30 H new ATOM 0 HH TYR A 67 60.694 90.944 57.267 1.00 0.70 H new ATOM 1068 N TYR A 68 53.130 90.931 57.620 1.00 0.40 N ATOM 1069 CA TYR A 68 53.070 91.358 59.012 1.00 0.43 C ATOM 1070 C TYR A 68 54.110 90.628 59.857 1.00 0.64 C ATOM 1071 O TYR A 68 54.249 89.408 59.773 1.00 0.89 O ATOM 1072 CB TYR A 68 51.670 91.107 59.572 1.00 0.74 C ATOM 1073 CG TYR A 68 51.473 91.630 60.977 1.00 0.73 C ATOM 1074 CD1 TYR A 68 52.027 92.842 61.373 1.00 1.51 C ATOM 1075 CD2 TYR A 68 50.729 90.914 61.906 1.00 1.21 C ATOM 1076 CE1 TYR A 68 51.846 93.323 62.656 1.00 1.51 C ATOM 1077 CE2 TYR A 68 50.543 91.390 63.190 1.00 1.26 C ATOM 1078 CZ TYR A 68 51.103 92.594 63.560 1.00 0.79 C ATOM 1079 OH TYR A 68 50.920 93.072 64.838 1.00 0.85 O ATOM 0 H TYR A 68 52.338 90.362 57.321 1.00 0.40 H new ATOM 0 HA TYR A 68 53.290 92.425 59.052 1.00 0.43 H new ATOM 0 HB2 TYR A 68 50.937 91.573 58.914 1.00 0.74 H new ATOM 0 HB3 TYR A 68 51.471 90.035 59.562 1.00 0.74 H new ATOM 0 HD1 TYR A 68 52.608 93.417 60.667 1.00 1.51 H new ATOM 0 HD2 TYR A 68 50.289 89.970 61.620 1.00 1.21 H new ATOM 0 HE1 TYR A 68 52.285 94.265 62.949 1.00 1.51 H new ATOM 0 HE2 TYR A 68 49.961 90.821 63.900 1.00 1.26 H new ATOM 0 HH TYR A 68 50.433 93.921 64.803 1.00 0.85 H new ATOM 1089 N THR A 69 54.839 91.386 60.670 1.00 0.76 N ATOM 1090 CA THR A 69 55.869 90.815 61.532 1.00 1.13 C ATOM 1091 C THR A 69 55.430 90.808 62.999 1.00 1.19 C ATOM 1092 O THR A 69 56.263 90.758 63.904 1.00 1.36 O ATOM 1093 CB THR A 69 57.171 91.603 61.375 1.00 1.26 C ATOM 1094 OG1 THR A 69 58.128 91.198 62.339 1.00 1.59 O ATOM 1095 CG2 THR A 69 56.983 93.098 61.512 1.00 1.06 C ATOM 0 H THR A 69 54.736 92.398 60.750 1.00 0.76 H new ATOM 0 HA THR A 69 56.031 89.781 61.228 1.00 1.13 H new ATOM 0 HB THR A 69 57.518 91.386 60.365 1.00 1.26 H new ATOM 0 HG1 THR A 69 57.789 91.391 63.238 1.00 1.59 H new ATOM 0 HG21 THR A 69 57.944 93.598 61.390 1.00 1.06 H new ATOM 0 HG22 THR A 69 56.291 93.449 60.746 1.00 1.06 H new ATOM 0 HG23 THR A 69 56.578 93.325 62.498 1.00 1.06 H new ATOM 1103 N GLY A 70 54.119 90.852 63.231 1.00 1.37 N ATOM 1104 CA GLY A 70 53.605 90.844 64.589 1.00 1.52 C ATOM 1105 C GLY A 70 53.965 92.092 65.382 1.00 0.91 C ATOM 1106 O GLY A 70 53.780 92.129 66.598 1.00 0.83 O ATOM 0 H GLY A 70 53.406 90.893 62.503 1.00 1.37 H new ATOM 0 HA2 GLY A 70 52.520 90.743 64.558 1.00 1.52 H new ATOM 0 HA3 GLY A 70 53.991 89.968 65.110 1.00 1.52 H new ATOM 1110 N ILE A 71 54.481 93.115 64.704 1.00 0.81 N ATOM 1111 CA ILE A 71 54.860 94.354 65.372 1.00 0.67 C ATOM 1112 C ILE A 71 53.734 95.382 65.314 1.00 0.69 C ATOM 1113 O ILE A 71 53.832 96.385 64.607 1.00 1.11 O ATOM 1114 CB ILE A 71 56.129 94.964 64.745 1.00 1.18 C ATOM 1115 CG1 ILE A 71 57.259 93.933 64.725 1.00 1.59 C ATOM 1116 CG2 ILE A 71 56.553 96.209 65.510 1.00 1.59 C ATOM 1117 CD1 ILE A 71 58.555 94.465 64.151 1.00 1.98 C ATOM 0 H ILE A 71 54.645 93.109 63.697 1.00 0.81 H new ATOM 0 HA ILE A 71 55.061 94.101 66.413 1.00 0.67 H new ATOM 0 HB ILE A 71 55.907 95.252 63.718 1.00 1.18 H new ATOM 0 HG12 ILE A 71 57.438 93.583 65.742 1.00 1.59 H new ATOM 0 HG13 ILE A 71 56.941 93.069 64.142 1.00 1.59 H new ATOM 0 HG21 ILE A 71 57.450 96.628 65.055 1.00 1.59 H new ATOM 0 HG22 ILE A 71 55.751 96.947 65.477 1.00 1.59 H new ATOM 0 HG23 ILE A 71 56.761 95.946 66.547 1.00 1.59 H new ATOM 0 HD11 ILE A 71 59.310 93.679 64.169 1.00 1.98 H new ATOM 0 HD12 ILE A 71 58.392 94.789 63.123 1.00 1.98 H new ATOM 0 HD13 ILE A 71 58.897 95.311 64.748 1.00 1.98 H new ATOM 1129 N GLY A 72 52.663 95.125 66.059 1.00 0.67 N ATOM 1130 CA GLY A 72 51.535 96.039 66.074 1.00 0.93 C ATOM 1131 C GLY A 72 51.002 96.318 64.683 1.00 0.60 C ATOM 1132 O GLY A 72 50.609 95.398 63.966 1.00 0.82 O ATOM 0 H GLY A 72 52.556 94.302 66.652 1.00 0.67 H new ATOM 0 HA2 GLY A 72 50.738 95.619 66.688 1.00 0.93 H new ATOM 0 HA3 GLY A 72 51.837 96.977 66.540 1.00 0.93 H new ATOM 1136 N ASP A 73 50.988 97.590 64.300 1.00 0.50 N ATOM 1137 CA ASP A 73 50.498 97.983 62.984 1.00 0.44 C ATOM 1138 C ASP A 73 51.654 98.273 62.030 1.00 0.42 C ATOM 1139 O ASP A 73 51.513 99.057 61.092 1.00 0.45 O ATOM 1140 CB ASP A 73 49.599 99.214 63.101 1.00 0.77 C ATOM 1141 CG ASP A 73 50.265 100.345 63.860 1.00 1.07 C ATOM 1142 OD1 ASP A 73 51.510 100.431 63.824 1.00 1.58 O ATOM 1143 OD2 ASP A 73 49.541 101.145 64.490 1.00 1.64 O ATOM 0 H ASP A 73 51.309 98.365 64.880 1.00 0.50 H new ATOM 0 HA ASP A 73 49.920 97.153 62.579 1.00 0.44 H new ATOM 0 HB2 ASP A 73 49.328 99.559 62.103 1.00 0.77 H new ATOM 0 HB3 ASP A 73 48.673 98.938 63.605 1.00 0.77 H new ATOM 1148 N GLN A 74 52.797 97.635 62.273 1.00 0.41 N ATOM 1149 CA GLN A 74 53.971 97.829 61.430 1.00 0.41 C ATOM 1150 C GLN A 74 54.098 96.702 60.409 1.00 0.37 C ATOM 1151 O GLN A 74 54.250 95.536 60.772 1.00 0.59 O ATOM 1152 CB GLN A 74 55.237 97.898 62.286 1.00 0.52 C ATOM 1153 CG GLN A 74 55.143 98.889 63.435 1.00 0.53 C ATOM 1154 CD GLN A 74 56.481 99.129 64.106 1.00 1.38 C ATOM 1155 OE1 GLN A 74 57.529 98.750 63.582 1.00 2.32 O ATOM 1156 NE2 GLN A 74 56.453 99.763 65.273 1.00 1.76 N ATOM 0 H GLN A 74 52.933 96.982 63.044 1.00 0.41 H new ATOM 0 HA GLN A 74 53.850 98.771 60.896 1.00 0.41 H new ATOM 0 HB2 GLN A 74 55.448 96.907 62.688 1.00 0.52 H new ATOM 0 HB3 GLN A 74 56.080 98.170 61.651 1.00 0.52 H new ATOM 0 HG2 GLN A 74 54.752 99.836 63.063 1.00 0.53 H new ATOM 0 HG3 GLN A 74 54.431 98.518 64.173 1.00 0.53 H new ATOM 0 HE21 GLN A 74 55.562 100.060 65.671 1.00 1.76 H new ATOM 0 HE22 GLN A 74 57.323 99.953 65.771 1.00 1.76 H new ATOM 1165 N VAL A 75 54.033 97.060 59.133 1.00 0.33 N ATOM 1166 CA VAL A 75 54.140 96.086 58.054 1.00 0.30 C ATOM 1167 C VAL A 75 55.406 96.323 57.237 1.00 0.29 C ATOM 1168 O VAL A 75 55.925 97.438 57.195 1.00 0.30 O ATOM 1169 CB VAL A 75 52.915 96.161 57.123 1.00 0.35 C ATOM 1170 CG1 VAL A 75 51.645 95.813 57.885 1.00 0.43 C ATOM 1171 CG2 VAL A 75 52.810 97.546 56.501 1.00 0.37 C ATOM 0 H VAL A 75 53.906 98.022 58.819 1.00 0.33 H new ATOM 0 HA VAL A 75 54.184 95.096 58.508 1.00 0.30 H new ATOM 0 HB VAL A 75 53.040 95.433 56.321 1.00 0.35 H new ATOM 0 HG11 VAL A 75 50.789 95.871 57.212 1.00 0.43 H new ATOM 0 HG12 VAL A 75 51.725 94.802 58.283 1.00 0.43 H new ATOM 0 HG13 VAL A 75 51.509 96.517 58.706 1.00 0.43 H new ATOM 0 HG21 VAL A 75 51.940 97.585 55.845 1.00 0.37 H new ATOM 0 HG22 VAL A 75 52.705 98.292 57.289 1.00 0.37 H new ATOM 0 HG23 VAL A 75 53.710 97.754 55.923 1.00 0.37 H new ATOM 1181 N GLN A 76 55.904 95.274 56.590 1.00 0.28 N ATOM 1182 CA GLN A 76 57.109 95.390 55.783 1.00 0.30 C ATOM 1183 C GLN A 76 56.967 94.614 54.484 1.00 0.27 C ATOM 1184 O GLN A 76 56.209 93.651 54.405 1.00 0.28 O ATOM 1185 CB GLN A 76 58.328 94.883 56.560 1.00 0.38 C ATOM 1186 CG GLN A 76 58.250 95.132 58.058 1.00 0.50 C ATOM 1187 CD GLN A 76 59.329 94.393 58.826 1.00 0.70 C ATOM 1188 OE1 GLN A 76 59.076 93.838 59.896 1.00 1.42 O ATOM 1189 NE2 GLN A 76 60.541 94.380 58.283 1.00 0.88 N ATOM 0 H GLN A 76 55.493 94.340 56.610 1.00 0.28 H new ATOM 0 HA GLN A 76 57.253 96.444 55.546 1.00 0.30 H new ATOM 0 HB2 GLN A 76 58.439 93.813 56.385 1.00 0.38 H new ATOM 0 HB3 GLN A 76 59.223 95.365 56.167 1.00 0.38 H new ATOM 0 HG2 GLN A 76 58.339 96.201 58.251 1.00 0.50 H new ATOM 0 HG3 GLN A 76 57.271 94.823 58.424 1.00 0.50 H new ATOM 0 HE21 GLN A 76 60.707 94.853 57.395 1.00 0.88 H new ATOM 0 HE22 GLN A 76 61.306 93.897 58.754 1.00 0.88 H new ATOM 1198 N CYS A 77 57.704 95.038 53.468 1.00 0.26 N ATOM 1199 CA CYS A 77 57.657 94.375 52.175 1.00 0.26 C ATOM 1200 C CYS A 77 58.661 93.228 52.129 1.00 0.25 C ATOM 1201 O CYS A 77 59.863 93.429 52.310 1.00 0.27 O ATOM 1202 CB CYS A 77 57.916 95.384 51.059 1.00 0.31 C ATOM 1203 SG CYS A 77 58.148 94.640 49.415 1.00 0.37 S ATOM 0 H CYS A 77 58.339 95.835 53.514 1.00 0.26 H new ATOM 0 HA CYS A 77 56.663 93.953 52.027 1.00 0.26 H new ATOM 0 HB2 CYS A 77 57.079 96.081 51.014 1.00 0.31 H new ATOM 0 HB3 CYS A 77 58.803 95.966 51.310 1.00 0.31 H new ATOM 1208 N PHE A 78 58.142 92.021 51.920 1.00 0.29 N ATOM 1209 CA PHE A 78 58.963 90.811 51.886 1.00 0.36 C ATOM 1210 C PHE A 78 59.835 90.717 50.634 1.00 0.41 C ATOM 1211 O PHE A 78 60.788 89.940 50.600 1.00 0.66 O ATOM 1212 CB PHE A 78 58.062 89.578 51.971 1.00 0.41 C ATOM 1213 CG PHE A 78 57.600 89.082 50.631 1.00 0.51 C ATOM 1214 CD1 PHE A 78 56.497 89.647 50.010 1.00 1.30 C ATOM 1215 CD2 PHE A 78 58.268 88.049 49.992 1.00 1.01 C ATOM 1216 CE1 PHE A 78 56.071 89.192 48.776 1.00 1.52 C ATOM 1217 CE2 PHE A 78 57.846 87.590 48.759 1.00 1.09 C ATOM 1218 CZ PHE A 78 56.746 88.162 48.150 1.00 1.01 C ATOM 0 H PHE A 78 57.147 91.853 51.770 1.00 0.29 H new ATOM 0 HA PHE A 78 59.635 90.858 52.743 1.00 0.36 H new ATOM 0 HB2 PHE A 78 58.600 88.778 52.480 1.00 0.41 H new ATOM 0 HB3 PHE A 78 57.191 89.815 52.582 1.00 0.41 H new ATOM 0 HD1 PHE A 78 55.965 90.451 50.496 1.00 1.30 H new ATOM 0 HD2 PHE A 78 59.128 87.598 50.464 1.00 1.01 H new ATOM 0 HE1 PHE A 78 55.211 89.641 48.302 1.00 1.52 H new ATOM 0 HE2 PHE A 78 58.376 86.785 48.272 1.00 1.09 H new ATOM 0 HZ PHE A 78 56.414 87.805 47.186 1.00 1.01 H new ATOM 1228 N ALA A 79 59.500 91.478 49.601 1.00 0.36 N ATOM 1229 CA ALA A 79 60.256 91.434 48.353 1.00 0.40 C ATOM 1230 C ALA A 79 61.556 92.233 48.429 1.00 0.53 C ATOM 1231 O ALA A 79 62.646 91.660 48.432 1.00 1.32 O ATOM 1232 CB ALA A 79 59.397 91.942 47.206 1.00 0.44 C ATOM 0 H ALA A 79 58.715 92.130 49.600 1.00 0.36 H new ATOM 0 HA ALA A 79 60.528 90.393 48.177 1.00 0.40 H new ATOM 0 HB1 ALA A 79 59.969 91.906 46.279 1.00 0.44 H new ATOM 0 HB2 ALA A 79 58.510 91.315 47.110 1.00 0.44 H new ATOM 0 HB3 ALA A 79 59.095 92.970 47.406 1.00 0.44 H new ATOM 1238 N CYS A 80 61.438 93.556 48.460 1.00 0.48 N ATOM 1239 CA CYS A 80 62.611 94.427 48.502 1.00 0.42 C ATOM 1240 C CYS A 80 63.134 94.627 49.923 1.00 0.43 C ATOM 1241 O CYS A 80 64.334 94.813 50.127 1.00 0.59 O ATOM 1242 CB CYS A 80 62.278 95.785 47.879 1.00 0.40 C ATOM 1243 SG CYS A 80 60.826 96.611 48.611 1.00 0.43 S ATOM 0 H CYS A 80 60.545 94.049 48.457 1.00 0.48 H new ATOM 0 HA CYS A 80 63.397 93.937 47.928 1.00 0.42 H new ATOM 0 HB2 CYS A 80 63.143 96.440 47.980 1.00 0.40 H new ATOM 0 HB3 CYS A 80 62.104 95.649 46.812 1.00 0.40 H new ATOM 1248 N GLY A 81 62.235 94.609 50.899 1.00 0.43 N ATOM 1249 CA GLY A 81 62.640 94.814 52.279 1.00 0.48 C ATOM 1250 C GLY A 81 62.330 96.223 52.736 1.00 0.48 C ATOM 1251 O GLY A 81 63.221 96.976 53.129 1.00 0.73 O ATOM 0 H GLY A 81 61.236 94.457 50.762 1.00 0.43 H new ATOM 0 HA2 GLY A 81 62.126 94.099 52.922 1.00 0.48 H new ATOM 0 HA3 GLY A 81 63.708 94.623 52.380 1.00 0.48 H new ATOM 1255 N GLY A 82 61.055 96.573 52.667 1.00 0.32 N ATOM 1256 CA GLY A 82 60.623 97.899 53.062 1.00 0.37 C ATOM 1257 C GLY A 82 59.668 97.881 54.236 1.00 0.39 C ATOM 1258 O GLY A 82 58.489 97.566 54.082 1.00 0.77 O ATOM 0 H GLY A 82 60.307 95.960 52.343 1.00 0.32 H new ATOM 0 HA2 GLY A 82 61.496 98.499 53.319 1.00 0.37 H new ATOM 0 HA3 GLY A 82 60.140 98.386 52.215 1.00 0.37 H new ATOM 1262 N LYS A 83 60.181 98.228 55.411 1.00 0.28 N ATOM 1263 CA LYS A 83 59.370 98.260 56.621 1.00 0.24 C ATOM 1264 C LYS A 83 58.811 99.658 56.851 1.00 0.27 C ATOM 1265 O LYS A 83 59.474 100.654 56.560 1.00 0.33 O ATOM 1266 CB LYS A 83 60.200 97.828 57.830 1.00 0.26 C ATOM 1267 CG LYS A 83 59.635 98.308 59.156 1.00 0.40 C ATOM 1268 CD LYS A 83 60.317 97.629 60.332 1.00 0.84 C ATOM 1269 CE LYS A 83 59.580 97.899 61.634 1.00 0.96 C ATOM 1270 NZ LYS A 83 60.369 97.464 62.819 1.00 1.61 N ATOM 0 H LYS A 83 61.156 98.491 55.551 1.00 0.28 H new ATOM 0 HA LYS A 83 58.540 97.565 56.495 1.00 0.24 H new ATOM 0 HB2 LYS A 83 60.266 96.740 57.845 1.00 0.26 H new ATOM 0 HB3 LYS A 83 61.215 98.208 57.718 1.00 0.26 H new ATOM 0 HG2 LYS A 83 59.760 99.388 59.236 1.00 0.40 H new ATOM 0 HG3 LYS A 83 58.564 98.107 59.190 1.00 0.40 H new ATOM 0 HD2 LYS A 83 60.365 96.554 60.156 1.00 0.84 H new ATOM 0 HD3 LYS A 83 61.344 97.985 60.413 1.00 0.84 H new ATOM 0 HE2 LYS A 83 59.362 98.964 61.714 1.00 0.96 H new ATOM 0 HE3 LYS A 83 58.623 97.378 61.624 1.00 0.96 H new ATOM 0 HZ1 LYS A 83 59.832 97.665 63.687 1.00 1.61 H new ATOM 0 HZ2 LYS A 83 60.555 96.443 62.756 1.00 1.61 H new ATOM 0 HZ3 LYS A 83 61.272 97.980 62.843 1.00 1.61 H new ATOM 1284 N LEU A 84 57.590 99.734 57.372 1.00 0.31 N ATOM 1285 CA LEU A 84 56.963 101.022 57.631 1.00 0.39 C ATOM 1286 C LEU A 84 56.091 100.972 58.880 1.00 0.39 C ATOM 1287 O LEU A 84 55.220 100.113 59.010 1.00 0.49 O ATOM 1288 CB LEU A 84 56.129 101.453 56.425 1.00 0.52 C ATOM 1289 CG LEU A 84 56.892 102.248 55.366 1.00 0.65 C ATOM 1290 CD1 LEU A 84 55.976 102.610 54.208 1.00 0.99 C ATOM 1291 CD2 LEU A 84 57.503 103.499 55.978 1.00 0.88 C ATOM 0 H LEU A 84 57.021 98.925 57.621 1.00 0.31 H new ATOM 0 HA LEU A 84 57.753 101.753 57.801 1.00 0.39 H new ATOM 0 HB2 LEU A 84 55.707 100.564 55.957 1.00 0.52 H new ATOM 0 HB3 LEU A 84 55.292 102.055 56.777 1.00 0.52 H new ATOM 0 HG LEU A 84 57.699 101.625 54.981 1.00 0.65 H new ATOM 0 HD11 LEU A 84 56.537 103.176 53.464 1.00 0.99 H new ATOM 0 HD12 LEU A 84 55.587 101.699 53.754 1.00 0.99 H new ATOM 0 HD13 LEU A 84 55.147 103.215 54.575 1.00 0.99 H new ATOM 0 HD21 LEU A 84 58.043 104.053 55.210 1.00 0.88 H new ATOM 0 HD22 LEU A 84 56.712 104.126 56.390 1.00 0.88 H new ATOM 0 HD23 LEU A 84 58.193 103.216 56.773 1.00 0.88 H new ATOM 1303 N LYS A 85 56.332 101.907 59.793 1.00 0.48 N ATOM 1304 CA LYS A 85 55.571 101.987 61.033 1.00 0.54 C ATOM 1305 C LYS A 85 55.094 103.417 61.263 1.00 0.66 C ATOM 1306 O LYS A 85 55.538 104.340 60.581 1.00 1.43 O ATOM 1307 CB LYS A 85 56.421 101.519 62.216 1.00 0.59 C ATOM 1308 CG LYS A 85 57.653 102.376 62.460 1.00 0.73 C ATOM 1309 CD LYS A 85 58.926 101.648 62.060 1.00 1.24 C ATOM 1310 CE LYS A 85 60.029 102.622 61.680 1.00 1.53 C ATOM 1311 NZ LYS A 85 60.877 102.098 60.573 1.00 1.65 N ATOM 0 H LYS A 85 57.052 102.623 59.696 1.00 0.48 H new ATOM 0 HA LYS A 85 54.703 101.333 60.950 1.00 0.54 H new ATOM 0 HB2 LYS A 85 55.806 101.518 63.116 1.00 0.59 H new ATOM 0 HB3 LYS A 85 56.734 100.489 62.042 1.00 0.59 H new ATOM 0 HG2 LYS A 85 57.570 103.304 61.894 1.00 0.73 H new ATOM 0 HG3 LYS A 85 57.705 102.649 63.514 1.00 0.73 H new ATOM 0 HD2 LYS A 85 59.262 101.020 62.885 1.00 1.24 H new ATOM 0 HD3 LYS A 85 58.719 100.986 61.220 1.00 1.24 H new ATOM 0 HE2 LYS A 85 59.587 103.572 61.380 1.00 1.53 H new ATOM 0 HE3 LYS A 85 60.653 102.822 62.551 1.00 1.53 H new ATOM 0 HZ1 LYS A 85 61.617 102.792 60.344 1.00 1.65 H new ATOM 0 HZ2 LYS A 85 61.320 101.204 60.868 1.00 1.65 H new ATOM 0 HZ3 LYS A 85 60.287 101.931 59.733 1.00 1.65 H new ATOM 1325 N ASN A 86 54.181 103.596 62.213 1.00 0.81 N ATOM 1326 CA ASN A 86 53.643 104.919 62.512 1.00 0.87 C ATOM 1327 C ASN A 86 52.674 105.360 61.420 1.00 0.72 C ATOM 1328 O ASN A 86 52.557 106.548 61.120 1.00 0.77 O ATOM 1329 CB ASN A 86 54.775 105.940 62.654 1.00 1.07 C ATOM 1330 CG ASN A 86 54.566 106.880 63.825 1.00 1.89 C ATOM 1331 OD1 ASN A 86 54.130 106.467 64.899 1.00 2.43 O ATOM 1332 ND2 ASN A 86 54.879 108.155 63.621 1.00 2.76 N ATOM 0 H ASN A 86 53.799 102.844 62.787 1.00 0.81 H new ATOM 0 HA ASN A 86 53.103 104.863 63.457 1.00 0.87 H new ATOM 0 HB2 ASN A 86 55.721 105.413 62.779 1.00 1.07 H new ATOM 0 HB3 ASN A 86 54.853 106.521 61.735 1.00 1.07 H new ATOM 0 HD21 ASN A 86 54.761 108.836 64.372 1.00 2.76 H new ATOM 0 HD22 ASN A 86 55.238 108.453 62.714 1.00 2.76 H new ATOM 1339 N TRP A 87 51.982 104.390 60.829 1.00 0.61 N ATOM 1340 CA TRP A 87 51.022 104.667 59.768 1.00 0.56 C ATOM 1341 C TRP A 87 49.960 105.659 60.234 1.00 0.60 C ATOM 1342 O TRP A 87 49.830 105.932 61.427 1.00 0.61 O ATOM 1343 CB TRP A 87 50.349 103.369 59.315 1.00 0.55 C ATOM 1344 CG TRP A 87 51.297 102.368 58.733 1.00 0.48 C ATOM 1345 CD1 TRP A 87 51.961 101.383 59.406 1.00 0.54 C ATOM 1346 CD2 TRP A 87 51.679 102.245 57.360 1.00 0.43 C ATOM 1347 NE1 TRP A 87 52.737 100.659 58.535 1.00 0.50 N ATOM 1348 CE2 TRP A 87 52.582 101.169 57.273 1.00 0.44 C ATOM 1349 CE3 TRP A 87 51.348 102.942 56.195 1.00 0.49 C ATOM 1350 CZ2 TRP A 87 53.155 100.773 56.068 1.00 0.50 C ATOM 1351 CZ3 TRP A 87 51.918 102.548 54.999 1.00 0.58 C ATOM 1352 CH2 TRP A 87 52.812 101.472 54.944 1.00 0.58 C ATOM 0 H TRP A 87 52.070 103.402 61.069 1.00 0.61 H new ATOM 0 HA TRP A 87 51.563 105.108 58.931 1.00 0.56 H new ATOM 0 HB2 TRP A 87 49.838 102.919 60.166 1.00 0.55 H new ATOM 0 HB3 TRP A 87 49.586 103.606 58.574 1.00 0.55 H new ATOM 0 HD1 TRP A 87 51.887 101.200 60.468 1.00 0.54 H new ATOM 0 HE1 TRP A 87 53.332 99.870 58.787 1.00 0.50 H new ATOM 0 HE3 TRP A 87 50.659 103.773 56.228 1.00 0.49 H new ATOM 0 HZ2 TRP A 87 53.845 99.944 56.022 1.00 0.50 H new ATOM 0 HZ3 TRP A 87 51.670 103.079 54.092 1.00 0.58 H new ATOM 0 HH2 TRP A 87 53.240 101.188 53.994 1.00 0.58 H new ATOM 1363 N GLU A 88 49.200 106.190 59.281 1.00 0.70 N ATOM 1364 CA GLU A 88 48.143 107.148 59.588 1.00 0.78 C ATOM 1365 C GLU A 88 46.913 106.888 58.724 1.00 0.82 C ATOM 1366 O GLU A 88 46.999 106.221 57.693 1.00 1.09 O ATOM 1367 CB GLU A 88 48.642 108.578 59.371 1.00 0.91 C ATOM 1368 CG GLU A 88 49.994 108.852 60.009 1.00 1.21 C ATOM 1369 CD GLU A 88 51.138 108.747 59.020 1.00 1.59 C ATOM 1370 OE1 GLU A 88 50.905 108.984 57.816 1.00 2.25 O ATOM 1371 OE2 GLU A 88 52.266 108.428 59.449 1.00 2.18 O ATOM 0 H GLU A 88 49.296 105.973 58.289 1.00 0.70 H new ATOM 0 HA GLU A 88 47.865 107.025 60.635 1.00 0.78 H new ATOM 0 HB2 GLU A 88 48.708 108.773 58.301 1.00 0.91 H new ATOM 0 HB3 GLU A 88 47.909 109.276 59.777 1.00 0.91 H new ATOM 0 HG2 GLU A 88 49.989 109.850 60.448 1.00 1.21 H new ATOM 0 HG3 GLU A 88 50.157 108.146 60.823 1.00 1.21 H new ATOM 1378 N PRO A 89 45.746 107.410 59.135 1.00 1.07 N ATOM 1379 CA PRO A 89 44.495 107.228 58.394 1.00 1.24 C ATOM 1380 C PRO A 89 44.501 107.971 57.062 1.00 1.08 C ATOM 1381 O PRO A 89 44.583 109.198 57.025 1.00 1.83 O ATOM 1382 CB PRO A 89 43.422 107.812 59.326 1.00 1.91 C ATOM 1383 CG PRO A 89 44.094 107.997 60.647 1.00 2.21 C ATOM 1384 CD PRO A 89 45.548 108.214 60.347 1.00 1.62 C ATOM 0 HA PRO A 89 44.327 106.181 58.142 1.00 1.24 H new ATOM 0 HB2 PRO A 89 43.044 108.760 58.943 1.00 1.91 H new ATOM 0 HB3 PRO A 89 42.569 107.139 59.411 1.00 1.91 H new ATOM 0 HG2 PRO A 89 43.675 108.849 61.182 1.00 2.21 H new ATOM 0 HG3 PRO A 89 43.953 107.122 61.282 1.00 2.21 H new ATOM 0 HD2 PRO A 89 45.775 109.267 60.177 1.00 1.62 H new ATOM 0 HD3 PRO A 89 46.186 107.879 61.165 1.00 1.62 H new ATOM 1392 N GLY A 90 44.417 107.218 55.971 1.00 1.25 N ATOM 1393 CA GLY A 90 44.417 107.822 54.651 1.00 1.61 C ATOM 1394 C GLY A 90 45.593 107.370 53.809 1.00 1.54 C ATOM 1395 O GLY A 90 45.502 107.310 52.583 1.00 2.36 O ATOM 0 H GLY A 90 44.349 106.200 55.977 1.00 1.25 H new ATOM 0 HA2 GLY A 90 43.489 107.569 54.139 1.00 1.61 H new ATOM 0 HA3 GLY A 90 44.441 108.907 54.751 1.00 1.61 H new ATOM 1399 N ASP A 91 46.700 107.050 54.470 1.00 1.02 N ATOM 1400 CA ASP A 91 47.901 106.599 53.778 1.00 1.22 C ATOM 1401 C ASP A 91 47.763 105.144 53.344 1.00 1.03 C ATOM 1402 O ASP A 91 47.937 104.227 54.147 1.00 1.73 O ATOM 1403 CB ASP A 91 49.124 106.761 54.682 1.00 1.48 C ATOM 1404 CG ASP A 91 50.222 107.577 54.029 1.00 2.32 C ATOM 1405 OD1 ASP A 91 50.323 107.549 52.784 1.00 2.84 O ATOM 1406 OD2 ASP A 91 50.982 108.244 54.762 1.00 3.11 O ATOM 0 H ASP A 91 46.790 107.095 55.485 1.00 1.02 H new ATOM 0 HA ASP A 91 48.032 107.214 52.887 1.00 1.22 H new ATOM 0 HB2 ASP A 91 48.823 107.241 55.613 1.00 1.48 H new ATOM 0 HB3 ASP A 91 49.513 105.777 54.942 1.00 1.48 H new ATOM 1411 N ARG A 92 47.448 104.939 52.069 1.00 0.92 N ATOM 1412 CA ARG A 92 47.287 103.594 51.529 1.00 0.73 C ATOM 1413 C ARG A 92 48.467 102.709 51.916 1.00 0.55 C ATOM 1414 O ARG A 92 49.618 103.140 51.845 1.00 0.62 O ATOM 1415 CB ARG A 92 47.144 103.646 50.007 1.00 0.84 C ATOM 1416 CG ARG A 92 45.825 103.086 49.500 1.00 1.13 C ATOM 1417 CD ARG A 92 45.950 101.619 49.124 1.00 1.51 C ATOM 1418 NE ARG A 92 45.045 101.253 48.037 1.00 1.75 N ATOM 1419 CZ ARG A 92 44.925 100.017 47.554 1.00 2.18 C ATOM 1420 NH1 ARG A 92 45.649 99.023 48.057 1.00 2.71 N ATOM 1421 NH2 ARG A 92 44.078 99.774 46.564 1.00 2.65 N ATOM 0 H ARG A 92 47.299 105.687 51.391 1.00 0.92 H new ATOM 0 HA ARG A 92 46.381 103.163 51.954 1.00 0.73 H new ATOM 0 HB2 ARG A 92 47.241 104.680 49.677 1.00 0.84 H new ATOM 0 HB3 ARG A 92 47.964 103.088 49.554 1.00 0.84 H new ATOM 0 HG2 ARG A 92 45.060 103.202 50.268 1.00 1.13 H new ATOM 0 HG3 ARG A 92 45.495 103.658 48.633 1.00 1.13 H new ATOM 0 HD2 ARG A 92 46.977 101.407 48.827 1.00 1.51 H new ATOM 0 HD3 ARG A 92 45.737 101.002 49.997 1.00 1.51 H new ATOM 0 HE ARG A 92 44.471 101.987 47.623 1.00 1.75 H new ATOM 0 HH11 ARG A 92 46.303 99.203 48.819 1.00 2.71 H new ATOM 0 HH12 ARG A 92 45.551 98.080 47.681 1.00 2.71 H new ATOM 0 HH21 ARG A 92 43.519 100.533 46.173 1.00 2.65 H new ATOM 0 HH22 ARG A 92 43.985 98.828 46.193 1.00 2.65 H new ATOM 1435 N ALA A 93 48.155 101.485 52.353 1.00 0.52 N ATOM 1436 CA ALA A 93 49.161 100.511 52.793 1.00 0.51 C ATOM 1437 C ALA A 93 50.476 100.634 52.024 1.00 0.47 C ATOM 1438 O ALA A 93 51.493 101.049 52.580 1.00 0.61 O ATOM 1439 CB ALA A 93 48.612 99.100 52.647 1.00 0.71 C ATOM 0 H ALA A 93 47.197 101.140 52.412 1.00 0.52 H new ATOM 0 HA ALA A 93 49.377 100.725 53.840 1.00 0.51 H new ATOM 0 HB1 ALA A 93 49.363 98.382 52.975 1.00 0.71 H new ATOM 0 HB2 ALA A 93 47.716 98.993 53.259 1.00 0.71 H new ATOM 0 HB3 ALA A 93 48.363 98.913 51.603 1.00 0.71 H new ATOM 1445 N TRP A 94 50.454 100.265 50.746 1.00 0.43 N ATOM 1446 CA TRP A 94 51.654 100.332 49.917 1.00 0.39 C ATOM 1447 C TRP A 94 51.912 101.745 49.390 1.00 0.38 C ATOM 1448 O TRP A 94 53.030 102.058 48.986 1.00 0.37 O ATOM 1449 CB TRP A 94 51.621 99.308 48.765 1.00 0.38 C ATOM 1450 CG TRP A 94 50.562 99.529 47.715 1.00 0.42 C ATOM 1451 CD1 TRP A 94 49.220 99.660 47.905 1.00 0.53 C ATOM 1452 CD2 TRP A 94 50.766 99.599 46.295 1.00 0.43 C ATOM 1453 NE1 TRP A 94 48.581 99.828 46.707 1.00 0.58 N ATOM 1454 CE2 TRP A 94 49.504 99.796 45.699 1.00 0.50 C ATOM 1455 CE3 TRP A 94 51.893 99.525 45.474 1.00 0.48 C ATOM 1456 CZ2 TRP A 94 49.341 99.917 44.321 1.00 0.53 C ATOM 1457 CZ3 TRP A 94 51.730 99.643 44.107 1.00 0.54 C ATOM 1458 CH2 TRP A 94 50.463 99.838 43.543 1.00 0.52 C ATOM 0 H TRP A 94 49.624 99.919 50.264 1.00 0.43 H new ATOM 0 HA TRP A 94 52.489 100.068 50.566 1.00 0.39 H new ATOM 0 HB2 TRP A 94 52.595 99.309 48.276 1.00 0.38 H new ATOM 0 HB3 TRP A 94 51.480 98.315 49.192 1.00 0.38 H new ATOM 0 HD1 TRP A 94 48.729 99.635 48.867 1.00 0.53 H new ATOM 0 HE1 TRP A 94 47.576 99.957 46.585 1.00 0.58 H new ATOM 0 HE3 TRP A 94 52.875 99.378 45.900 1.00 0.48 H new ATOM 0 HZ2 TRP A 94 48.365 100.068 43.883 1.00 0.53 H new ATOM 0 HZ3 TRP A 94 52.594 99.584 43.462 1.00 0.54 H new ATOM 0 HH2 TRP A 94 50.370 99.928 42.471 1.00 0.52 H new ATOM 1469 N SER A 95 50.901 102.609 49.416 1.00 0.42 N ATOM 1470 CA SER A 95 51.084 103.984 48.956 1.00 0.45 C ATOM 1471 C SER A 95 52.284 104.621 49.664 1.00 0.40 C ATOM 1472 O SER A 95 53.061 105.370 49.065 1.00 0.38 O ATOM 1473 CB SER A 95 49.823 104.811 49.217 1.00 0.58 C ATOM 1474 OG SER A 95 50.046 106.182 48.939 1.00 1.50 O ATOM 0 H SER A 95 49.961 102.388 49.745 1.00 0.42 H new ATOM 0 HA SER A 95 51.272 103.967 47.882 1.00 0.45 H new ATOM 0 HB2 SER A 95 49.006 104.439 48.598 1.00 0.58 H new ATOM 0 HB3 SER A 95 49.515 104.693 50.256 1.00 0.58 H new ATOM 0 HG SER A 95 49.225 106.689 49.112 1.00 1.50 H new ATOM 1480 N GLU A 96 52.440 104.287 50.942 1.00 0.43 N ATOM 1481 CA GLU A 96 53.551 104.797 51.743 1.00 0.45 C ATOM 1482 C GLU A 96 54.791 103.918 51.576 1.00 0.41 C ATOM 1483 O GLU A 96 55.915 104.367 51.803 1.00 0.45 O ATOM 1484 CB GLU A 96 53.155 104.866 53.218 1.00 0.55 C ATOM 1485 CG GLU A 96 53.672 106.105 53.931 1.00 0.90 C ATOM 1486 CD GLU A 96 54.319 105.781 55.264 1.00 1.72 C ATOM 1487 OE1 GLU A 96 53.673 105.098 56.086 1.00 2.37 O ATOM 1488 OE2 GLU A 96 55.471 106.210 55.484 1.00 2.47 O ATOM 0 H GLU A 96 51.810 103.664 51.447 1.00 0.43 H new ATOM 0 HA GLU A 96 53.789 105.801 51.392 1.00 0.45 H new ATOM 0 HB2 GLU A 96 52.068 104.840 53.295 1.00 0.55 H new ATOM 0 HB3 GLU A 96 53.532 103.980 53.728 1.00 0.55 H new ATOM 0 HG2 GLU A 96 54.396 106.612 53.293 1.00 0.90 H new ATOM 0 HG3 GLU A 96 52.847 106.799 54.091 1.00 0.90 H new ATOM 1495 N HIS A 97 54.579 102.674 51.152 1.00 0.37 N ATOM 1496 CA HIS A 97 55.667 101.735 50.923 1.00 0.40 C ATOM 1497 C HIS A 97 56.545 102.238 49.786 1.00 0.37 C ATOM 1498 O HIS A 97 57.772 102.166 49.856 1.00 0.40 O ATOM 1499 CB HIS A 97 55.079 100.357 50.602 1.00 0.46 C ATOM 1500 CG HIS A 97 56.036 99.356 50.030 1.00 0.40 C ATOM 1501 ND1 HIS A 97 57.391 99.298 50.021 1.00 0.48 N flip ATOM 1502 CD2 HIS A 97 55.602 98.223 49.378 1.00 0.37 C flip ATOM 1503 CE1 HIS A 97 57.741 98.134 49.369 1.00 0.50 C flip ATOM 1504 NE2 HIS A 97 56.640 97.508 48.994 1.00 0.41 N flip ATOM 0 H HIS A 97 53.653 102.293 50.959 1.00 0.37 H new ATOM 0 HA HIS A 97 56.286 101.650 51.816 1.00 0.40 H new ATOM 0 HB2 HIS A 97 54.653 99.943 51.516 1.00 0.46 H new ATOM 0 HB3 HIS A 97 54.257 100.489 49.898 1.00 0.46 H new ATOM 0 HD1 HIS A 97 58.030 99.985 50.421 1.00 0.48 H new ATOM 0 HD2 HIS A 97 54.568 97.961 49.207 1.00 0.37 H new ATOM 0 HE1 HIS A 97 58.750 97.791 49.194 1.00 0.50 H new ATOM 0 HE2 HIS A 97 56.600 96.621 48.492 1.00 0.41 H new ATOM 1512 N ARG A 98 55.909 102.761 48.738 1.00 0.38 N ATOM 1513 CA ARG A 98 56.640 103.288 47.590 1.00 0.42 C ATOM 1514 C ARG A 98 57.274 104.629 47.933 1.00 0.39 C ATOM 1515 O ARG A 98 58.392 104.920 47.510 1.00 0.43 O ATOM 1516 CB ARG A 98 55.727 103.463 46.365 1.00 0.57 C ATOM 1517 CG ARG A 98 54.526 102.530 46.317 1.00 0.69 C ATOM 1518 CD ARG A 98 53.232 103.282 46.560 1.00 0.78 C ATOM 1519 NE ARG A 98 52.991 104.301 45.542 1.00 1.09 N ATOM 1520 CZ ARG A 98 52.646 104.028 44.285 1.00 1.23 C ATOM 1521 NH1 ARG A 98 52.507 102.770 43.881 1.00 1.49 N ATOM 1522 NH2 ARG A 98 52.439 105.018 43.428 1.00 1.93 N ATOM 0 H ARG A 98 54.894 102.830 48.662 1.00 0.38 H new ATOM 0 HA ARG A 98 57.416 102.563 47.344 1.00 0.42 H new ATOM 0 HB2 ARG A 98 55.369 104.492 46.342 1.00 0.57 H new ATOM 0 HB3 ARG A 98 56.321 103.312 45.464 1.00 0.57 H new ATOM 0 HG2 ARG A 98 54.485 102.037 45.346 1.00 0.69 H new ATOM 0 HG3 ARG A 98 54.641 101.748 47.067 1.00 0.69 H new ATOM 0 HD2 ARG A 98 52.400 102.578 46.572 1.00 0.78 H new ATOM 0 HD3 ARG A 98 53.265 103.752 47.543 1.00 0.78 H new ATOM 0 HE ARG A 98 53.093 105.280 45.810 1.00 1.09 H new ATOM 0 HH11 ARG A 98 52.665 102.004 44.536 1.00 1.49 H new ATOM 0 HH12 ARG A 98 52.242 102.570 42.916 1.00 1.49 H new ATOM 0 HH21 ARG A 98 52.544 105.986 43.732 1.00 1.93 H new ATOM 0 HH22 ARG A 98 52.175 104.812 42.465 1.00 1.93 H new ATOM 1536 N ARG A 99 56.558 105.447 48.703 1.00 0.43 N ATOM 1537 CA ARG A 99 57.069 106.757 49.095 1.00 0.52 C ATOM 1538 C ARG A 99 58.378 106.624 49.869 1.00 0.51 C ATOM 1539 O ARG A 99 59.303 107.415 49.683 1.00 0.62 O ATOM 1540 CB ARG A 99 56.033 107.498 49.942 1.00 0.60 C ATOM 1541 CG ARG A 99 54.867 108.044 49.134 1.00 0.95 C ATOM 1542 CD ARG A 99 53.704 108.440 50.030 1.00 1.36 C ATOM 1543 NE ARG A 99 52.784 109.356 49.359 1.00 2.17 N ATOM 1544 CZ ARG A 99 51.707 109.885 49.937 1.00 2.88 C ATOM 1545 NH1 ARG A 99 51.407 109.595 51.197 1.00 3.10 N ATOM 1546 NH2 ARG A 99 50.927 110.709 49.251 1.00 3.88 N ATOM 0 H ARG A 99 55.630 105.227 49.065 1.00 0.43 H new ATOM 0 HA ARG A 99 57.263 107.330 48.188 1.00 0.52 H new ATOM 0 HB2 ARG A 99 55.650 106.822 50.706 1.00 0.60 H new ATOM 0 HB3 ARG A 99 56.522 108.322 50.461 1.00 0.60 H new ATOM 0 HG2 ARG A 99 55.195 108.910 48.559 1.00 0.95 H new ATOM 0 HG3 ARG A 99 54.536 107.292 48.418 1.00 0.95 H new ATOM 0 HD2 ARG A 99 53.164 107.545 50.339 1.00 1.36 H new ATOM 0 HD3 ARG A 99 54.088 108.910 50.936 1.00 1.36 H new ATOM 0 HE ARG A 99 52.978 109.605 48.389 1.00 2.17 H new ATOM 0 HH11 ARG A 99 52.003 108.962 51.731 1.00 3.10 H new ATOM 0 HH12 ARG A 99 50.580 110.005 51.632 1.00 3.10 H new ATOM 0 HH21 ARG A 99 51.152 110.937 48.283 1.00 3.88 H new ATOM 0 HH22 ARG A 99 50.102 111.115 49.692 1.00 3.88 H new ATOM 1560 N HIS A 100 58.449 105.619 50.736 1.00 0.44 N ATOM 1561 CA HIS A 100 59.646 105.382 51.538 1.00 0.50 C ATOM 1562 C HIS A 100 60.586 104.385 50.859 1.00 0.44 C ATOM 1563 O HIS A 100 61.783 104.357 51.146 1.00 0.47 O ATOM 1564 CB HIS A 100 59.260 104.874 52.928 1.00 0.59 C ATOM 1565 CG HIS A 100 58.910 105.969 53.888 1.00 0.66 C ATOM 1566 ND1 HIS A 100 57.984 106.932 53.569 1.00 1.47 N ATOM 1567 CD2 HIS A 100 59.388 106.209 55.133 1.00 1.19 C ATOM 1568 CE1 HIS A 100 57.916 107.731 54.619 1.00 1.29 C ATOM 1569 NE2 HIS A 100 58.750 107.334 55.592 1.00 0.99 N ATOM 0 H HIS A 100 57.692 104.955 50.902 1.00 0.44 H new ATOM 0 HA HIS A 100 60.174 106.331 51.635 1.00 0.50 H new ATOM 0 HB2 HIS A 100 58.411 104.197 52.836 1.00 0.59 H new ATOM 0 HB3 HIS A 100 60.087 104.294 53.337 1.00 0.59 H new ATOM 0 HD2 HIS A 100 60.128 105.627 55.662 1.00 1.19 H new ATOM 0 HE1 HIS A 100 57.271 108.594 54.686 1.00 1.29 H new ATOM 0 HE2 HIS A 100 58.884 107.782 56.498 1.00 0.99 H new ATOM 1577 N PHE A 101 60.045 103.576 49.950 1.00 0.39 N ATOM 1578 CA PHE A 101 60.835 102.590 49.221 1.00 0.37 C ATOM 1579 C PHE A 101 60.215 102.355 47.848 1.00 0.36 C ATOM 1580 O PHE A 101 59.578 101.329 47.606 1.00 0.37 O ATOM 1581 CB PHE A 101 60.907 101.274 50.001 1.00 0.39 C ATOM 1582 CG PHE A 101 61.895 101.296 51.134 1.00 0.43 C ATOM 1583 CD1 PHE A 101 63.161 101.832 50.958 1.00 1.32 C ATOM 1584 CD2 PHE A 101 61.556 100.779 52.375 1.00 1.20 C ATOM 1585 CE1 PHE A 101 64.071 101.851 51.999 1.00 1.35 C ATOM 1586 CE2 PHE A 101 62.462 100.795 53.418 1.00 1.24 C ATOM 1587 CZ PHE A 101 63.721 101.332 53.230 1.00 0.61 C ATOM 0 H PHE A 101 59.056 103.586 49.701 1.00 0.39 H new ATOM 0 HA PHE A 101 61.849 102.970 49.099 1.00 0.37 H new ATOM 0 HB2 PHE A 101 59.918 101.042 50.397 1.00 0.39 H new ATOM 0 HB3 PHE A 101 61.172 100.469 49.315 1.00 0.39 H new ATOM 0 HD1 PHE A 101 63.440 102.239 49.997 1.00 1.32 H new ATOM 0 HD2 PHE A 101 60.573 100.359 52.528 1.00 1.20 H new ATOM 0 HE1 PHE A 101 65.055 102.271 51.850 1.00 1.35 H new ATOM 0 HE2 PHE A 101 62.186 100.388 54.380 1.00 1.24 H new ATOM 0 HZ PHE A 101 64.430 101.346 54.044 1.00 0.61 H new ATOM 1597 N PRO A 102 60.373 103.330 46.940 1.00 0.39 N ATOM 1598 CA PRO A 102 59.806 103.264 45.589 1.00 0.42 C ATOM 1599 C PRO A 102 60.555 102.326 44.642 1.00 0.41 C ATOM 1600 O PRO A 102 60.177 102.195 43.478 1.00 0.43 O ATOM 1601 CB PRO A 102 59.916 104.707 45.099 1.00 0.53 C ATOM 1602 CG PRO A 102 61.086 105.265 45.831 1.00 0.52 C ATOM 1603 CD PRO A 102 61.096 104.593 47.178 1.00 0.42 C ATOM 0 HA PRO A 102 58.793 102.862 45.609 1.00 0.42 H new ATOM 0 HB2 PRO A 102 60.067 104.749 44.020 1.00 0.53 H new ATOM 0 HB3 PRO A 102 59.008 105.269 45.316 1.00 0.53 H new ATOM 0 HG2 PRO A 102 62.013 105.070 45.291 1.00 0.52 H new ATOM 0 HG3 PRO A 102 61.000 106.347 45.936 1.00 0.52 H new ATOM 0 HD2 PRO A 102 62.112 104.413 47.529 1.00 0.42 H new ATOM 0 HD3 PRO A 102 60.601 105.202 47.934 1.00 0.42 H new ATOM 1611 N ASN A 103 61.612 101.675 45.123 1.00 0.41 N ATOM 1612 CA ASN A 103 62.383 100.763 44.282 1.00 0.44 C ATOM 1613 C ASN A 103 61.875 99.324 44.392 1.00 0.48 C ATOM 1614 O ASN A 103 62.608 98.379 44.098 1.00 0.81 O ATOM 1615 CB ASN A 103 63.863 100.820 44.664 1.00 0.48 C ATOM 1616 CG ASN A 103 64.386 102.241 44.734 1.00 0.54 C ATOM 1617 OD1 ASN A 103 64.673 102.861 43.710 1.00 0.93 O ATOM 1618 ND2 ASN A 103 64.513 102.765 45.948 1.00 1.09 N ATOM 0 H ASN A 103 61.952 101.761 46.081 1.00 0.41 H new ATOM 0 HA ASN A 103 62.259 101.084 43.248 1.00 0.44 H new ATOM 0 HB2 ASN A 103 64.005 100.335 45.630 1.00 0.48 H new ATOM 0 HB3 ASN A 103 64.446 100.256 43.935 1.00 0.48 H new ATOM 0 HD21 ASN A 103 64.860 103.718 46.058 1.00 1.09 H new ATOM 0 HD22 ASN A 103 64.263 102.215 46.770 1.00 1.09 H new ATOM 1625 N CYS A 104 60.624 99.159 44.814 1.00 0.37 N ATOM 1626 CA CYS A 104 60.036 97.833 44.957 1.00 0.37 C ATOM 1627 C CYS A 104 59.530 97.312 43.614 1.00 0.36 C ATOM 1628 O CYS A 104 58.617 97.885 43.021 1.00 0.37 O ATOM 1629 CB CYS A 104 58.890 97.877 45.966 1.00 0.38 C ATOM 1630 SG CYS A 104 58.228 96.242 46.408 1.00 0.47 S ATOM 0 H CYS A 104 60.000 99.927 45.062 1.00 0.37 H new ATOM 0 HA CYS A 104 60.808 97.153 45.318 1.00 0.37 H new ATOM 0 HB2 CYS A 104 59.237 98.374 46.872 1.00 0.38 H new ATOM 0 HB3 CYS A 104 58.083 98.486 45.557 1.00 0.38 H new ATOM 1635 N PHE A 105 60.135 96.225 43.135 1.00 0.39 N ATOM 1636 CA PHE A 105 59.753 95.631 41.857 1.00 0.42 C ATOM 1637 C PHE A 105 58.288 95.190 41.846 1.00 0.42 C ATOM 1638 O PHE A 105 57.699 95.017 40.779 1.00 0.46 O ATOM 1639 CB PHE A 105 60.664 94.445 41.521 1.00 0.48 C ATOM 1640 CG PHE A 105 60.472 93.244 42.408 1.00 0.50 C ATOM 1641 CD1 PHE A 105 59.356 92.433 42.272 1.00 1.05 C ATOM 1642 CD2 PHE A 105 61.416 92.919 43.368 1.00 1.38 C ATOM 1643 CE1 PHE A 105 59.186 91.322 43.077 1.00 1.11 C ATOM 1644 CE2 PHE A 105 61.252 91.811 44.177 1.00 1.48 C ATOM 1645 CZ PHE A 105 60.136 91.011 44.031 1.00 0.80 C ATOM 0 H PHE A 105 60.892 95.738 43.615 1.00 0.39 H new ATOM 0 HA PHE A 105 59.872 96.401 41.095 1.00 0.42 H new ATOM 0 HB2 PHE A 105 60.489 94.149 40.487 1.00 0.48 H new ATOM 0 HB3 PHE A 105 61.702 94.769 41.588 1.00 0.48 H new ATOM 0 HD1 PHE A 105 58.610 92.672 41.528 1.00 1.05 H new ATOM 0 HD2 PHE A 105 62.292 93.540 43.486 1.00 1.38 H new ATOM 0 HE1 PHE A 105 58.312 90.698 42.960 1.00 1.11 H new ATOM 0 HE2 PHE A 105 61.996 91.571 44.923 1.00 1.48 H new ATOM 0 HZ PHE A 105 60.006 90.144 44.661 1.00 0.80 H new ATOM 1655 N PHE A 106 57.697 95.015 43.027 1.00 0.39 N ATOM 1656 CA PHE A 106 56.300 94.601 43.120 1.00 0.41 C ATOM 1657 C PHE A 106 55.373 95.792 42.905 1.00 0.38 C ATOM 1658 O PHE A 106 54.409 95.715 42.148 1.00 0.40 O ATOM 1659 CB PHE A 106 56.021 93.962 44.482 1.00 0.44 C ATOM 1660 CG PHE A 106 54.625 93.424 44.618 1.00 0.50 C ATOM 1661 CD1 PHE A 106 53.541 94.283 44.723 1.00 1.19 C ATOM 1662 CD2 PHE A 106 54.396 92.058 44.640 1.00 1.16 C ATOM 1663 CE1 PHE A 106 52.257 93.788 44.845 1.00 1.31 C ATOM 1664 CE2 PHE A 106 53.114 91.558 44.763 1.00 1.18 C ATOM 1665 CZ PHE A 106 52.043 92.424 44.865 1.00 0.77 C ATOM 0 H PHE A 106 58.160 95.152 43.925 1.00 0.39 H new ATOM 0 HA PHE A 106 56.111 93.864 42.340 1.00 0.41 H new ATOM 0 HB2 PHE A 106 56.731 93.152 44.647 1.00 0.44 H new ATOM 0 HB3 PHE A 106 56.194 94.702 45.264 1.00 0.44 H new ATOM 0 HD1 PHE A 106 53.703 95.351 44.709 1.00 1.19 H new ATOM 0 HD2 PHE A 106 55.229 91.376 44.560 1.00 1.16 H new ATOM 0 HE1 PHE A 106 51.421 94.467 44.925 1.00 1.31 H new ATOM 0 HE2 PHE A 106 52.949 90.491 44.779 1.00 1.18 H new ATOM 0 HZ PHE A 106 51.040 92.035 44.960 1.00 0.77 H new ATOM 1675 N VAL A 107 55.683 96.894 43.572 1.00 0.36 N ATOM 1676 CA VAL A 107 54.899 98.119 43.463 1.00 0.36 C ATOM 1677 C VAL A 107 54.615 98.467 42.003 1.00 0.39 C ATOM 1678 O VAL A 107 53.462 98.573 41.585 1.00 0.44 O ATOM 1679 CB VAL A 107 55.660 99.291 44.119 1.00 0.39 C ATOM 1680 CG1 VAL A 107 55.289 100.625 43.484 1.00 0.46 C ATOM 1681 CG2 VAL A 107 55.408 99.313 45.618 1.00 0.40 C ATOM 0 H VAL A 107 56.482 96.966 44.202 1.00 0.36 H new ATOM 0 HA VAL A 107 53.951 97.954 43.975 1.00 0.36 H new ATOM 0 HB VAL A 107 56.725 99.136 43.949 1.00 0.39 H new ATOM 0 HG11 VAL A 107 55.844 101.427 43.971 1.00 0.46 H new ATOM 0 HG12 VAL A 107 55.537 100.604 42.423 1.00 0.46 H new ATOM 0 HG13 VAL A 107 54.220 100.800 43.603 1.00 0.46 H new ATOM 0 HG21 VAL A 107 55.951 100.145 46.066 1.00 0.40 H new ATOM 0 HG22 VAL A 107 54.341 99.433 45.806 1.00 0.40 H new ATOM 0 HG23 VAL A 107 55.751 98.377 46.058 1.00 0.40 H new ATOM 1691 N LEU A 108 55.689 98.676 41.247 1.00 0.43 N ATOM 1692 CA LEU A 108 55.599 99.053 39.840 1.00 0.51 C ATOM 1693 C LEU A 108 54.677 98.131 39.037 1.00 0.82 C ATOM 1694 O LEU A 108 53.510 98.454 38.815 1.00 1.41 O ATOM 1695 CB LEU A 108 56.994 99.080 39.213 1.00 0.59 C ATOM 1696 CG LEU A 108 57.874 100.255 39.645 1.00 0.75 C ATOM 1697 CD1 LEU A 108 59.200 100.233 38.901 1.00 1.07 C ATOM 1698 CD2 LEU A 108 57.152 101.574 39.412 1.00 1.08 C ATOM 0 H LEU A 108 56.645 98.589 41.592 1.00 0.43 H new ATOM 0 HA LEU A 108 55.160 100.050 39.805 1.00 0.51 H new ATOM 0 HB2 LEU A 108 57.506 98.151 39.463 1.00 0.59 H new ATOM 0 HB3 LEU A 108 56.888 99.104 38.128 1.00 0.59 H new ATOM 0 HG LEU A 108 58.079 100.158 40.711 1.00 0.75 H new ATOM 0 HD11 LEU A 108 59.811 101.076 39.222 1.00 1.07 H new ATOM 0 HD12 LEU A 108 59.723 99.302 39.118 1.00 1.07 H new ATOM 0 HD13 LEU A 108 59.017 100.305 37.829 1.00 1.07 H new ATOM 0 HD21 LEU A 108 57.792 102.399 39.725 1.00 1.08 H new ATOM 0 HD22 LEU A 108 56.917 101.678 38.353 1.00 1.08 H new ATOM 0 HD23 LEU A 108 56.229 101.591 39.992 1.00 1.08 H new ATOM 1710 N GLY A 109 55.215 97.007 38.563 1.00 0.82 N ATOM 1711 CA GLY A 109 54.435 96.092 37.748 1.00 1.13 C ATOM 1712 C GLY A 109 53.451 95.228 38.515 1.00 1.30 C ATOM 1713 O GLY A 109 52.799 94.375 37.916 1.00 1.95 O ATOM 0 H GLY A 109 56.178 96.715 38.730 1.00 0.82 H new ATOM 0 HA2 GLY A 109 53.885 96.670 37.005 1.00 1.13 H new ATOM 0 HA3 GLY A 109 55.119 95.441 37.204 1.00 1.13 H new ATOM 1717 N ARG A 110 53.317 95.442 39.823 1.00 1.89 N ATOM 1718 CA ARG A 110 52.373 94.667 40.636 1.00 2.64 C ATOM 1719 C ARG A 110 52.800 93.203 40.800 1.00 3.22 C ATOM 1720 O ARG A 110 52.971 92.736 41.926 1.00 3.61 O ATOM 1721 CB ARG A 110 50.977 94.732 40.018 1.00 3.03 C ATOM 1722 CG ARG A 110 49.881 94.204 40.930 1.00 3.52 C ATOM 1723 CD ARG A 110 49.606 95.152 42.085 1.00 3.92 C ATOM 1724 NE ARG A 110 48.591 94.622 42.993 1.00 4.43 N ATOM 1725 CZ ARG A 110 48.042 95.320 43.984 1.00 4.99 C ATOM 1726 NH1 ARG A 110 48.409 96.576 44.210 1.00 5.18 N ATOM 1727 NH2 ARG A 110 47.122 94.758 44.756 1.00 5.65 N ATOM 0 H ARG A 110 53.846 96.142 40.343 1.00 1.89 H new ATOM 0 HA ARG A 110 52.363 95.115 41.630 1.00 2.64 H new ATOM 0 HB2 ARG A 110 50.753 95.766 39.756 1.00 3.03 H new ATOM 0 HB3 ARG A 110 50.973 94.160 39.090 1.00 3.03 H new ATOM 0 HG2 ARG A 110 48.967 94.058 40.354 1.00 3.52 H new ATOM 0 HG3 ARG A 110 50.171 93.229 41.321 1.00 3.52 H new ATOM 0 HD2 ARG A 110 50.529 95.330 42.636 1.00 3.92 H new ATOM 0 HD3 ARG A 110 49.277 96.115 41.694 1.00 3.92 H new ATOM 0 HE ARG A 110 48.285 93.658 42.859 1.00 4.43 H new ATOM 0 HH11 ARG A 110 49.118 97.014 43.621 1.00 5.18 H new ATOM 0 HH12 ARG A 110 47.982 97.103 44.972 1.00 5.18 H new ATOM 0 HH21 ARG A 110 46.837 93.793 44.590 1.00 5.65 H new ATOM 0 HH22 ARG A 110 46.700 95.291 45.516 1.00 5.65 H new ATOM 1741 N ASN A 111 52.935 92.492 39.672 1.00 3.81 N ATOM 1742 CA ASN A 111 53.314 91.074 39.648 1.00 4.72 C ATOM 1743 C ASN A 111 52.074 90.190 39.710 1.00 5.14 C ATOM 1744 O ASN A 111 50.978 90.670 39.993 1.00 5.48 O ATOM 1745 CB ASN A 111 54.288 90.714 40.778 1.00 5.46 C ATOM 1746 CG ASN A 111 53.620 89.953 41.909 1.00 5.89 C ATOM 1747 OD1 ASN A 111 52.550 90.333 42.386 1.00 5.91 O ATOM 1748 ND2 ASN A 111 54.250 88.868 42.343 1.00 6.59 N ATOM 0 H ASN A 111 52.783 92.888 38.744 1.00 3.81 H new ATOM 0 HA ASN A 111 53.833 90.894 38.706 1.00 4.72 H new ATOM 0 HB2 ASN A 111 55.102 90.113 40.372 1.00 5.46 H new ATOM 0 HB3 ASN A 111 54.733 91.627 41.173 1.00 5.46 H new ATOM 0 HD21 ASN A 111 53.849 88.314 43.100 1.00 6.59 H new ATOM 0 HD22 ASN A 111 55.135 88.588 41.920 1.00 6.59 H new ATOM 1755 N LEU A 112 52.256 88.903 39.426 1.00 5.49 N ATOM 1756 CA LEU A 112 51.152 87.946 39.429 1.00 6.17 C ATOM 1757 C LEU A 112 50.318 88.098 38.159 1.00 5.97 C ATOM 1758 O LEU A 112 50.563 88.997 37.355 1.00 6.09 O ATOM 1759 CB LEU A 112 50.287 88.114 40.689 1.00 6.90 C ATOM 1760 CG LEU A 112 48.975 88.892 40.517 1.00 7.83 C ATOM 1761 CD1 LEU A 112 47.818 87.943 40.246 1.00 8.49 C ATOM 1762 CD2 LEU A 112 48.694 89.728 41.758 1.00 8.45 C ATOM 0 H LEU A 112 53.161 88.497 39.190 1.00 5.49 H new ATOM 0 HA LEU A 112 51.564 86.937 39.446 1.00 6.17 H new ATOM 0 HB2 LEU A 112 50.048 87.123 41.074 1.00 6.90 H new ATOM 0 HB3 LEU A 112 50.885 88.616 41.450 1.00 6.90 H new ATOM 0 HG LEU A 112 49.079 89.558 39.660 1.00 7.83 H new ATOM 0 HD11 LEU A 112 46.898 88.515 40.127 1.00 8.49 H new ATOM 0 HD12 LEU A 112 48.015 87.380 39.334 1.00 8.49 H new ATOM 0 HD13 LEU A 112 47.710 87.252 41.082 1.00 8.49 H new ATOM 0 HD21 LEU A 112 47.761 90.275 41.624 1.00 8.45 H new ATOM 0 HD22 LEU A 112 48.610 89.074 42.626 1.00 8.45 H new ATOM 0 HD23 LEU A 112 49.510 90.434 41.913 1.00 8.45 H new ATOM 1774 N ASN A 113 49.346 87.208 37.974 1.00 6.06 N ATOM 1775 CA ASN A 113 48.493 87.243 36.789 1.00 6.29 C ATOM 1776 C ASN A 113 47.998 88.665 36.495 1.00 6.52 C ATOM 1777 O ASN A 113 48.672 89.407 35.780 1.00 6.98 O ATOM 1778 CB ASN A 113 47.316 86.276 36.952 1.00 6.75 C ATOM 1779 CG ASN A 113 47.697 84.843 36.634 1.00 7.31 C ATOM 1780 OD1 ASN A 113 48.592 84.591 35.828 1.00 7.46 O ATOM 1781 ND2 ASN A 113 47.016 83.895 37.269 1.00 7.94 N ATOM 0 H ASN A 113 49.130 86.456 38.628 1.00 6.06 H new ATOM 0 HA ASN A 113 49.089 86.923 35.935 1.00 6.29 H new ATOM 0 HB2 ASN A 113 46.943 86.331 37.975 1.00 6.75 H new ATOM 0 HB3 ASN A 113 46.501 86.586 36.298 1.00 6.75 H new ATOM 0 HD21 ASN A 113 47.228 82.912 37.096 1.00 7.94 H new ATOM 0 HD22 ASN A 113 46.282 84.150 37.929 1.00 7.94 H new ATOM 1788 N ILE A 114 46.831 89.032 37.052 1.00 6.54 N ATOM 1789 CA ILE A 114 46.232 90.361 36.861 1.00 7.13 C ATOM 1790 C ILE A 114 46.543 90.957 35.489 1.00 7.46 C ATOM 1791 O ILE A 114 46.781 92.159 35.363 1.00 7.66 O ATOM 1792 CB ILE A 114 46.676 91.351 37.960 1.00 7.44 C ATOM 1793 CG1 ILE A 114 48.164 91.693 37.833 1.00 7.78 C ATOM 1794 CG2 ILE A 114 46.381 90.774 39.336 1.00 7.78 C ATOM 1795 CD1 ILE A 114 48.445 93.179 37.897 1.00 8.21 C ATOM 0 H ILE A 114 46.278 88.415 37.647 1.00 6.54 H new ATOM 0 HA ILE A 114 45.155 90.209 36.929 1.00 7.13 H new ATOM 0 HB ILE A 114 46.109 92.273 37.833 1.00 7.44 H new ATOM 0 HG12 ILE A 114 48.714 91.192 38.629 1.00 7.78 H new ATOM 0 HG13 ILE A 114 48.541 91.299 36.889 1.00 7.78 H new ATOM 0 HG21 ILE A 114 46.698 91.481 40.103 1.00 7.78 H new ATOM 0 HG22 ILE A 114 45.311 90.591 39.432 1.00 7.78 H new ATOM 0 HG23 ILE A 114 46.922 89.836 39.461 1.00 7.78 H new ATOM 0 HD11 ILE A 114 49.517 93.351 37.801 1.00 8.21 H new ATOM 0 HD12 ILE A 114 47.922 93.683 37.084 1.00 8.21 H new ATOM 0 HD13 ILE A 114 48.098 93.574 38.852 1.00 8.21 H new ATOM 1807 N ARG A 115 46.546 90.109 34.465 1.00 7.82 N ATOM 1808 CA ARG A 115 46.836 90.553 33.106 1.00 8.39 C ATOM 1809 C ARG A 115 45.882 91.662 32.673 1.00 8.73 C ATOM 1810 O ARG A 115 46.252 92.836 32.648 1.00 9.04 O ATOM 1811 CB ARG A 115 46.747 89.377 32.132 1.00 8.67 C ATOM 1812 CG ARG A 115 48.103 88.823 31.720 1.00 9.11 C ATOM 1813 CD ARG A 115 48.988 89.905 31.122 1.00 9.82 C ATOM 1814 NE ARG A 115 49.932 90.443 32.100 1.00 10.16 N ATOM 1815 CZ ARG A 115 50.823 91.395 31.829 1.00 10.87 C ATOM 1816 NH1 ARG A 115 50.901 91.920 30.611 1.00 11.30 N ATOM 1817 NH2 ARG A 115 51.641 91.824 32.780 1.00 11.35 N ATOM 0 H ARG A 115 46.351 89.111 34.550 1.00 7.82 H new ATOM 0 HA ARG A 115 47.851 90.951 33.093 1.00 8.39 H new ATOM 0 HB2 ARG A 115 46.162 88.580 32.591 1.00 8.67 H new ATOM 0 HB3 ARG A 115 46.208 89.695 31.240 1.00 8.67 H new ATOM 0 HG2 ARG A 115 48.597 88.385 32.587 1.00 9.11 H new ATOM 0 HG3 ARG A 115 47.965 88.022 30.994 1.00 9.11 H new ATOM 0 HD2 ARG A 115 49.538 89.496 30.274 1.00 9.82 H new ATOM 0 HD3 ARG A 115 48.364 90.712 30.738 1.00 9.82 H new ATOM 0 HE ARG A 115 49.907 90.066 33.048 1.00 10.16 H new ATOM 0 HH11 ARG A 115 50.275 91.594 29.874 1.00 11.30 H new ATOM 0 HH12 ARG A 115 51.587 92.649 30.413 1.00 11.30 H new ATOM 0 HH21 ARG A 115 51.587 91.425 33.717 1.00 11.35 H new ATOM 0 HH22 ARG A 115 52.324 92.553 32.574 1.00 11.35 H new ATOM 1831 N SER A 116 44.655 91.279 32.329 1.00 8.94 N ATOM 1832 CA SER A 116 43.643 92.237 31.892 1.00 9.52 C ATOM 1833 C SER A 116 43.912 92.700 30.464 1.00 9.84 C ATOM 1834 O SER A 116 43.124 92.438 29.556 1.00 9.98 O ATOM 1835 CB SER A 116 43.599 93.442 32.834 1.00 9.77 C ATOM 1836 OG SER A 116 44.022 93.085 34.139 1.00 9.86 O ATOM 0 H SER A 116 44.337 90.310 32.345 1.00 8.94 H new ATOM 0 HA SER A 116 42.675 91.736 31.917 1.00 9.52 H new ATOM 0 HB2 SER A 116 44.238 94.235 32.445 1.00 9.77 H new ATOM 0 HB3 SER A 116 42.585 93.840 32.873 1.00 9.77 H new ATOM 0 HG SER A 116 43.986 93.872 34.721 1.00 9.86 H new ATOM 1842 N GLU A 117 45.029 93.389 30.275 1.00 10.21 N ATOM 1843 CA GLU A 117 45.405 93.891 28.958 1.00 10.78 C ATOM 1844 C GLU A 117 45.563 92.745 27.963 1.00 11.36 C ATOM 1845 O GLU A 117 46.095 91.687 28.359 1.00 11.97 O ATOM 1846 CB GLU A 117 46.706 94.690 29.044 1.00 11.09 C ATOM 1847 CG GLU A 117 47.948 93.821 29.151 1.00 11.34 C ATOM 1848 CD GLU A 117 49.045 94.470 29.973 1.00 11.60 C ATOM 1849 OE1 GLU A 117 49.709 95.392 29.454 1.00 11.86 O ATOM 1850 OE2 GLU A 117 49.240 94.056 31.135 1.00 11.74 O ATOM 1851 OXT GLU A 117 45.152 92.915 26.796 1.00 11.38 O ATOM 0 H GLU A 117 45.692 93.614 31.017 1.00 10.21 H new ATOM 0 HA GLU A 117 44.608 94.546 28.607 1.00 10.78 H new ATOM 0 HB2 GLU A 117 46.792 95.325 28.162 1.00 11.09 H new ATOM 0 HB3 GLU A 117 46.660 95.351 29.909 1.00 11.09 H new ATOM 0 HG2 GLU A 117 47.680 92.865 29.600 1.00 11.34 H new ATOM 0 HG3 GLU A 117 48.326 93.609 28.151 1.00 11.34 H new TER 1858 GLU A 117 HETATM 1859 ZN ZN A 999 58.742 96.401 48.439 1.00 0.35 ZN CONECT 1203 1859 CONECT 1243 1859 CONECT 1504 1859 CONECT 1630 1859 CONECT 1859 1203 1243 1504 1630 END