USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 20-JAN-99 2ALC TITLE ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING TITLE 2 DOMAIN FROM ASPERGILLUS NIDULANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL COMPND 3 ACTIVATOR); COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: DNA-BINDING DOMAIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; SOURCE 3 ORGANISM_TAXID: 162425; SOURCE 4 GENE: ALCR; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM KEYWDS ZINC BINUCLEAR CLUSTER, DNA-BINDING, TRANSCRIPTIONAL KEYWDS 2 ACTIVATOR, DNA BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR R.CERDAN,B.CAHUZAC,B.FELENBOK,E.GUITTET REVDAT 4 24-FEB-09 2ALC 1 VERSN REVDAT 3 01-APR-03 2ALC 1 JRNL REVDAT 2 14-FEB-00 2ALC 1 JRNL SEQADV REVDAT 1 21-JAN-00 2ALC 0 JRNL AUTH R.CERDAN,B.CAHUZAC,B.FELENBOK,E.GUITTET JRNL TITL NMR SOLUTION STRUCTURE OF ALCR (1-60) PROVIDES JRNL TITL 2 INSIGHT IN THE UNUSUAL DNA BINDING PROPERTIES OF JRNL TITL 3 THIS ZINC BINUCLEAR CLUSTER PROTEIN. JRNL REF J.MOL.BIOL. V. 295 729 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10656785 JRNL DOI 10.1006/JMBI.1999.3417 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ALC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-99. REMARK 100 THE RCSB ID CODE IS RCSB007239. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DIANA, XPLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 17 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. 15N-LABELED PROTEIN 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 SER A 0 -71.17 -159.83 REMARK 500 THR A 4 -65.07 -123.81 REMARK 500 GLN A 8 -63.23 -135.32 REMARK 500 ALA A 24 104.47 -37.46 REMARK 500 PRO A 25 -164.06 -78.65 REMARK 500 ASN A 27 50.55 -106.65 REMARK 500 TRP A 36 -179.75 -60.67 REMARK 500 VAL A 37 -44.65 -166.17 REMARK 500 ASN A 46 67.71 60.79 REMARK 500 LYS A 47 -119.89 -104.66 REMARK 500 PHE A 51 49.59 -109.39 REMARK 500 GLN A 57 -127.03 -82.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 64 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 15 SG REMARK 620 2 CYS A 12 SG 107.8 REMARK 620 3 CYS A 22 SG 110.3 120.1 REMARK 620 4 CYS A 39 SG 110.4 97.6 109.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 65 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 39 SG REMARK 620 2 CYS A 49 SG 115.5 REMARK 620 3 CYS A 42 SG 108.3 111.6 REMARK 620 4 CYS A 12 SG 97.8 111.6 111.4 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 64 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 65 DBREF 2ALC A 1 63 UNP P21228 ALCR_EMENI 1 63 SEQADV 2ALC GLY A -1 UNP P21228 INSERTION SEQADV 2ALC SER A 0 UNP P21228 INSERTION SEQADV 2ALC ASN A 61 UNP P21228 ALA 61 ENGINEERED SEQADV 2ALC SER A 62 UNP P21228 LYS 62 ENGINEERED SEQADV 2ALC SER A 63 UNP P21228 GLY 63 ENGINEERED SEQRES 1 A 65 GLY SER MET ALA ASP THR ARG ARG ARG GLN ASN HIS SER SEQRES 2 A 65 CYS ASP PRO CYS ARG LYS GLY LYS ARG ARG CYS ASP ALA SEQRES 3 A 65 PRO GLU ASN ARG ASN GLU ALA ASN GLU ASN GLY TRP VAL SEQRES 4 A 65 SER CYS SER ASN CYS LYS ARG TRP ASN LYS ASP CYS THR SEQRES 5 A 65 PHE ASN TRP LEU SER SER GLN ARG SER LYS ASN SER SER HET ZN A 64 1 HET ZN A 65 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) HELIX 1 1 ASP A 13 GLY A 18 1 6 HELIX 2 2 ARG A 28 ASN A 34 1 7 HELIX 3 3 SER A 40 TRP A 45 1 6 HELIX 4 4 ASN A 52 SER A 55 1 4 LINK ZN ZN A 64 SG CYS A 15 1555 1555 2.34 LINK ZN ZN A 64 SG CYS A 12 1555 1555 2.37 LINK ZN ZN A 64 SG CYS A 22 1555 1555 2.35 LINK ZN ZN A 64 SG CYS A 39 1555 1555 2.36 LINK ZN ZN A 65 SG CYS A 39 1555 1555 2.37 LINK ZN ZN A 65 SG CYS A 49 1555 1555 2.35 LINK ZN ZN A 65 SG CYS A 42 1555 1555 2.34 LINK ZN ZN A 65 SG CYS A 12 1555 1555 2.36 SITE *** AC1 5 CYS A 12 CYS A 15 CYS A 22 CYS A 39 SITE *** AC1 5 ZN A 65 SITE *** AC2 5 CYS A 12 CYS A 39 CYS A 42 CYS A 49 SITE *** AC2 5 ZN A 64 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 55 SER OG : rot 71:sc= -0.27 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.607 K(o=-1.1,f=1.3) USER MOD Set 1.3: A 62 SER OG : rot 180:sc= -0.224 USER MOD Set 2.1: A 50 THR OG1 : rot 150:sc= -0.0711 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.251 K(o=-0.32,f=-1.3!) USER MOD Set 3.1: A 9 ASN : amide:sc= -2.9! C(o=-3.4!,f=-4.5!) USER MOD Set 3.2: A 11 SER OG : rot 160:sc= -0.464 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0934 USER MOD Single : A 8 GLN : amide:sc= -2.44! C(o=-2.4!,f=-2.3!) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.73) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.5) USER MOD Single : A 32 ASN : amide:sc= -0.858! C(o=-0.86!,f=-3.4!) USER MOD Single : A 34 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.588 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 41 ASN : amide:sc= -3.51! C(o=-3.5!,f=-2.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -1.06 (180deg=-1.11) USER MOD Single : A 56 SER OG : rot 74:sc= 0.649 USER MOD Single : A 57 GLN : amide:sc= -7.46! C(o=-7.5!,f=-11!) USER MOD Single : A 59 SER OG : rot 22:sc= 1.31 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -91:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 4.609 15.600 -9.703 1.00 5.35 N ATOM 2 CA GLY A -1 4.555 15.496 -8.217 1.00 7.38 C ATOM 3 C GLY A -1 4.493 16.897 -7.609 1.00 2.98 C ATOM 4 O GLY A -1 5.414 17.329 -6.918 1.00 0.00 O ATOM 0 H1 GLY A -1 4.651 14.647 -10.116 1.00 5.35 H new ATOM 0 H2 GLY A -1 3.759 16.090 -10.048 1.00 5.35 H new ATOM 0 H3 GLY A -1 5.455 16.136 -9.983 1.00 5.35 H new ATOM 0 HA2 GLY A -1 3.682 14.918 -7.914 1.00 7.38 H new ATOM 0 HA3 GLY A -1 5.433 14.966 -7.847 1.00 7.38 H new ATOM 10 N SER A 0 3.401 17.602 -7.866 1.00 0.00 N ATOM 11 CA SER A 0 3.236 18.944 -7.331 1.00 0.00 C ATOM 12 C SER A 0 1.755 19.331 -7.336 1.00 0.00 C ATOM 13 O SER A 0 1.119 19.409 -6.287 1.00 0.00 O ATOM 14 CB SER A 0 4.037 19.936 -8.169 1.00 0.00 C ATOM 15 OG SER A 0 3.820 21.252 -7.680 1.00 0.00 O ATOM 0 H SER A 0 2.623 17.271 -8.436 1.00 0.00 H new ATOM 0 HA SER A 0 3.603 18.966 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 0 5.098 19.691 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.737 19.871 -9.215 1.00 0.00 H new ATOM 0 HG SER A 0 4.336 21.890 -8.217 1.00 0.00 H new ATOM 21 N MET A 1 1.211 19.565 -8.521 1.00 0.00 N ATOM 22 CA MET A 1 -0.189 19.937 -8.639 1.00 0.00 C ATOM 23 C MET A 1 -1.080 18.767 -8.222 1.00 0.00 C ATOM 24 O MET A 1 -2.071 18.946 -7.517 1.00 0.00 O ATOM 25 CB MET A 1 -0.500 20.328 -10.080 1.00 0.00 C ATOM 26 CG MET A 1 0.300 21.570 -10.456 1.00 0.00 C ATOM 27 SD MET A 1 -0.079 22.037 -12.163 1.00 0.00 S ATOM 28 CE MET A 1 0.987 23.498 -12.242 1.00 0.00 C ATOM 0 H MET A 1 1.713 19.504 -9.407 1.00 0.00 H new ATOM 0 HA MET A 1 -0.385 20.786 -7.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.253 19.506 -10.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.567 20.522 -10.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.057 22.390 -9.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.367 21.375 -10.349 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.907 23.953 -13.229 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.676 24.217 -11.484 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.021 23.204 -12.060 1.00 0.00 H new ATOM 38 N ALA A 2 -0.720 17.571 -8.663 1.00 0.00 N ATOM 39 CA ALA A 2 -1.496 16.388 -8.328 1.00 0.00 C ATOM 40 C ALA A 2 -1.276 16.009 -6.863 1.00 0.00 C ATOM 41 O ALA A 2 -2.226 15.745 -6.129 1.00 0.00 O ATOM 42 CB ALA A 2 -1.080 15.227 -9.223 1.00 0.00 C ATOM 0 H ALA A 2 0.097 17.395 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.553 16.606 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.665 14.343 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.257 15.490 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.021 15.016 -9.077 1.00 0.00 H new ATOM 48 N ASP A 3 -0.017 15.979 -6.446 1.00 0.00 N ATOM 49 CA ASP A 3 0.307 15.625 -5.075 1.00 0.00 C ATOM 50 C ASP A 3 1.706 16.128 -4.729 1.00 0.00 C ATOM 51 O ASP A 3 2.578 16.204 -5.590 1.00 0.00 O ATOM 52 CB ASP A 3 0.257 14.108 -4.910 1.00 5.42 C ATOM 53 CG ASP A 3 1.489 13.470 -5.559 1.00 6.56 C ATOM 54 OD1 ASP A 3 1.440 13.207 -6.749 1.00 6.56 O ATOM 55 OD2 ASP A 3 2.465 13.261 -4.856 1.00 7.30 O ATOM 0 H ASP A 3 0.789 16.194 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.419 16.087 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.219 13.850 -3.852 1.00 5.42 H new ATOM 0 HB3 ASP A 3 -0.650 13.714 -5.367 1.00 5.42 H new ATOM 60 N THR A 4 1.914 16.466 -3.470 1.00 0.00 N ATOM 61 CA THR A 4 3.203 16.950 -3.031 1.00 0.00 C ATOM 62 C THR A 4 3.716 16.080 -1.885 1.00 0.00 C ATOM 63 O THR A 4 4.720 15.380 -2.018 1.00 0.00 O ATOM 64 CB THR A 4 3.057 18.391 -2.571 1.00 0.00 C ATOM 65 OG1 THR A 4 1.852 18.531 -1.826 1.00 0.00 O ATOM 66 CG2 THR A 4 3.020 19.309 -3.788 1.00 0.00 C ATOM 0 H THR A 4 1.207 16.413 -2.737 1.00 0.00 H new ATOM 0 HA THR A 4 3.918 16.902 -3.852 1.00 0.00 H new ATOM 0 HB THR A 4 3.903 18.662 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.758 19.460 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.915 20.343 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.945 19.200 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.173 19.041 -4.420 1.00 0.00 H new ATOM 74 N ARG A 5 3.011 16.119 -0.768 1.00 0.00 N ATOM 75 CA ARG A 5 3.390 15.325 0.386 1.00 0.00 C ATOM 76 C ARG A 5 2.741 13.945 0.301 1.00 0.00 C ATOM 77 O ARG A 5 1.641 13.795 -0.227 1.00 0.00 O ATOM 78 CB ARG A 5 2.938 16.026 1.660 1.00 0.00 C ATOM 79 CG ARG A 5 3.905 17.158 1.986 1.00 0.00 C ATOM 80 CD ARG A 5 3.246 18.118 2.966 1.00 0.00 C ATOM 81 NE ARG A 5 2.189 18.859 2.292 1.00 0.00 N ATOM 82 CZ ARG A 5 1.411 19.709 2.955 1.00 0.00 C ATOM 83 NH1 ARG A 5 1.576 19.893 4.241 1.00 0.00 N ATOM 84 NH2 ARG A 5 0.476 20.365 2.318 1.00 0.00 N ATOM 0 H ARG A 5 2.176 16.690 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 5 4.474 15.210 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.930 16.420 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.901 15.315 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.822 16.755 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.185 17.686 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.834 17.565 3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.988 18.808 3.368 1.00 0.00 H new ATOM 0 HE ARG A 5 2.043 18.723 1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.305 19.383 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.976 20.547 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.346 20.224 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.123 21.018 2.823 1.00 0.00 H new ATOM 98 N ARG A 6 3.428 12.944 0.825 1.00 0.00 N ATOM 99 CA ARG A 6 2.906 11.588 0.803 1.00 2.57 C ATOM 100 C ARG A 6 3.042 10.955 2.187 1.00 1.22 C ATOM 101 O ARG A 6 3.826 10.029 2.387 1.00 2.67 O ATOM 102 CB ARG A 6 3.673 10.758 -0.221 1.00 5.11 C ATOM 103 CG ARG A 6 3.462 11.350 -1.611 1.00 5.00 C ATOM 104 CD ARG A 6 4.191 10.497 -2.643 1.00 6.56 C ATOM 105 NE ARG A 6 4.001 11.059 -3.972 1.00 6.54 N ATOM 106 CZ ARG A 6 4.496 10.465 -5.053 1.00 7.52 C ATOM 107 NH1 ARG A 6 5.171 9.348 -4.945 1.00 8.42 N ATOM 108 NH2 ARG A 6 4.304 11.001 -6.231 1.00 7.48 N ATOM 0 H ARG A 6 4.342 13.043 1.268 1.00 0.00 H new ATOM 0 HA ARG A 6 1.852 11.616 0.527 1.00 2.57 H new ATOM 0 HB2 ARG A 6 4.735 10.747 0.025 1.00 5.11 H new ATOM 0 HB3 ARG A 6 3.330 9.724 -0.198 1.00 5.11 H new ATOM 0 HG2 ARG A 6 2.398 11.390 -1.843 1.00 5.00 H new ATOM 0 HG3 ARG A 6 3.834 12.374 -1.642 1.00 5.00 H new ATOM 0 HD2 ARG A 6 5.254 10.453 -2.406 1.00 6.56 H new ATOM 0 HD3 ARG A 6 3.815 9.474 -2.614 1.00 6.56 H new ATOM 0 HE ARG A 6 3.477 11.928 -4.076 1.00 6.54 H new ATOM 0 HH11 ARG A 6 5.320 8.929 -4.027 1.00 8.42 H new ATOM 0 HH12 ARG A 6 5.548 8.897 -5.779 1.00 8.42 H new ATOM 0 HH21 ARG A 6 3.777 11.870 -6.316 1.00 7.48 H new ATOM 0 HH22 ARG A 6 4.681 10.550 -7.064 1.00 7.48 H new ATOM 122 N ARG A 7 2.271 11.459 3.138 1.00 0.00 N ATOM 123 CA ARG A 7 2.316 10.930 4.492 1.00 0.00 C ATOM 124 C ARG A 7 1.394 9.715 4.603 1.00 0.00 C ATOM 125 O ARG A 7 0.219 9.778 4.247 1.00 0.00 O ATOM 126 CB ARG A 7 1.878 12.003 5.484 1.00 0.00 C ATOM 127 CG ARG A 7 2.038 11.474 6.905 1.00 0.00 C ATOM 128 CD ARG A 7 1.689 12.572 7.904 1.00 0.00 C ATOM 129 NE ARG A 7 2.652 13.660 7.803 1.00 0.00 N ATOM 130 CZ ARG A 7 2.575 14.728 8.592 1.00 0.00 C ATOM 131 NH1 ARG A 7 1.618 14.827 9.479 1.00 0.00 N ATOM 132 NH2 ARG A 7 3.461 15.682 8.481 1.00 0.00 N ATOM 0 H ARG A 7 1.613 12.226 3.000 1.00 0.00 H new ATOM 0 HA ARG A 7 3.337 10.628 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.477 12.904 5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.840 12.280 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.390 10.611 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.062 11.136 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.684 12.946 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.689 12.168 8.916 1.00 0.00 H new ATOM 0 HE ARG A 7 3.401 13.602 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.926 14.083 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.564 15.648 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.208 15.606 7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.405 16.503 9.084 1.00 0.00 H new ATOM 146 N GLN A 8 1.934 8.613 5.099 1.00 1.40 N ATOM 147 CA GLN A 8 1.148 7.398 5.249 1.00 0.62 C ATOM 148 C GLN A 8 1.415 6.771 6.615 1.00 0.47 C ATOM 149 O GLN A 8 0.520 6.672 7.458 1.00 0.53 O ATOM 150 CB GLN A 8 1.513 6.410 4.141 1.00 1.30 C ATOM 151 CG GLN A 8 0.602 5.186 4.217 1.00 1.74 C ATOM 152 CD GLN A 8 1.123 4.198 5.266 1.00 1.78 C ATOM 153 OE1 GLN A 8 0.403 3.801 6.181 1.00 2.22 O ATOM 154 NE2 GLN A 8 2.356 3.780 5.163 1.00 2.09 N ATOM 0 H GLN A 8 2.905 8.534 5.402 1.00 1.40 H new ATOM 0 HA GLN A 8 0.089 7.644 5.175 1.00 0.62 H new ATOM 0 HB2 GLN A 8 1.413 6.889 3.167 1.00 1.30 H new ATOM 0 HB3 GLN A 8 2.555 6.106 4.241 1.00 1.30 H new ATOM 0 HG2 GLN A 8 -0.412 5.495 4.471 1.00 1.74 H new ATOM 0 HG3 GLN A 8 0.553 4.700 3.243 1.00 1.74 H new ATOM 0 HE21 GLN A 8 2.946 4.114 4.401 1.00 2.09 H new ATOM 0 HE22 GLN A 8 2.729 3.119 5.844 1.00 2.09 H new ATOM 163 N ASN A 9 2.653 6.363 6.833 1.00 0.35 N ATOM 164 CA ASN A 9 3.023 5.761 8.095 1.00 0.26 C ATOM 165 C ASN A 9 3.065 6.847 9.159 1.00 0.24 C ATOM 166 O ASN A 9 3.658 7.893 8.960 1.00 0.26 O ATOM 167 CB ASN A 9 4.396 5.099 7.987 1.00 0.32 C ATOM 168 CG ASN A 9 5.456 6.008 8.614 1.00 0.47 C ATOM 169 OD1 ASN A 9 6.051 6.854 7.948 1.00 1.52 O ATOM 170 ND2 ASN A 9 5.700 5.872 9.888 1.00 0.39 N ATOM 0 H ASN A 9 3.412 6.438 6.156 1.00 0.35 H new ATOM 0 HA ASN A 9 2.290 4.999 8.361 1.00 0.26 H new ATOM 0 HB2 ASN A 9 4.386 4.133 8.492 1.00 0.32 H new ATOM 0 HB3 ASN A 9 4.638 4.909 6.941 1.00 0.32 H new ATOM 0 HD21 ASN A 9 6.390 6.470 10.342 1.00 0.39 H new ATOM 0 HD22 ASN A 9 5.201 5.167 10.431 1.00 0.39 H new ATOM 177 N HIS A 10 2.430 6.599 10.278 1.00 0.22 N ATOM 178 CA HIS A 10 2.423 7.571 11.354 1.00 0.23 C ATOM 179 C HIS A 10 3.482 7.217 12.398 1.00 0.20 C ATOM 180 O HIS A 10 3.834 8.034 13.247 1.00 0.23 O ATOM 181 CB HIS A 10 1.041 7.627 11.977 1.00 0.27 C ATOM 182 CG HIS A 10 0.182 8.514 11.122 1.00 0.32 C ATOM 183 ND1 HIS A 10 -0.434 8.063 9.959 1.00 0.42 N ATOM 184 CD2 HIS A 10 -0.149 9.839 11.232 1.00 0.31 C ATOM 185 CE1 HIS A 10 -1.100 9.104 9.425 1.00 0.46 C ATOM 186 NE2 HIS A 10 -0.956 10.213 10.166 1.00 0.40 N ATOM 0 H HIS A 10 1.914 5.741 10.471 1.00 0.22 H new ATOM 0 HA HIS A 10 2.666 8.555 10.954 1.00 0.23 H new ATOM 0 HB2 HIS A 10 0.611 6.627 12.041 1.00 0.27 H new ATOM 0 HB3 HIS A 10 1.097 8.016 12.994 1.00 0.27 H new ATOM 0 HD2 HIS A 10 0.170 10.494 12.029 1.00 0.31 H new ATOM 0 HE1 HIS A 10 -1.678 9.053 8.514 1.00 0.46 H new ATOM 0 HE2 HIS A 10 -1.354 11.134 9.985 1.00 0.40 H new ATOM 195 N SER A 11 3.979 5.991 12.322 1.00 0.17 N ATOM 196 CA SER A 11 4.990 5.515 13.246 1.00 0.16 C ATOM 197 C SER A 11 6.151 6.506 13.357 1.00 0.16 C ATOM 198 O SER A 11 6.594 7.090 12.367 1.00 0.18 O ATOM 199 CB SER A 11 5.516 4.177 12.752 1.00 0.20 C ATOM 200 OG SER A 11 4.649 3.681 11.740 1.00 0.75 O ATOM 0 H SER A 11 3.694 5.305 11.623 1.00 0.17 H new ATOM 0 HA SER A 11 4.538 5.409 14.232 1.00 0.16 H new ATOM 0 HB2 SER A 11 6.526 4.292 12.359 1.00 0.20 H new ATOM 0 HB3 SER A 11 5.574 3.468 13.578 1.00 0.20 H new ATOM 0 HG SER A 11 5.123 3.013 11.202 1.00 0.75 H new ATOM 206 N CYS A 12 6.627 6.678 14.577 1.00 0.14 N ATOM 207 CA CYS A 12 7.724 7.580 14.860 1.00 0.14 C ATOM 208 C CYS A 12 8.990 7.202 14.059 1.00 0.16 C ATOM 209 O CYS A 12 9.085 6.115 13.486 1.00 0.16 O ATOM 210 CB CYS A 12 8.005 7.534 16.354 1.00 0.13 C ATOM 211 SG CYS A 12 8.891 6.017 16.776 1.00 0.12 S ATOM 0 H CYS A 12 6.263 6.195 15.398 1.00 0.14 H new ATOM 0 HA CYS A 12 7.447 8.590 14.558 1.00 0.14 H new ATOM 0 HB2 CYS A 12 8.595 8.402 16.647 1.00 0.13 H new ATOM 0 HB3 CYS A 12 7.068 7.583 16.909 1.00 0.13 H new ATOM 216 N ASP A 13 9.934 8.142 14.015 1.00 0.18 N ATOM 217 CA ASP A 13 11.198 7.992 13.277 1.00 0.21 C ATOM 218 C ASP A 13 11.794 6.575 13.296 1.00 0.20 C ATOM 219 O ASP A 13 12.035 5.986 12.247 1.00 0.22 O ATOM 220 CB ASP A 13 12.237 8.943 13.860 1.00 0.25 C ATOM 221 CG ASP A 13 12.354 10.182 12.982 1.00 0.32 C ATOM 222 OD1 ASP A 13 11.365 10.868 12.841 1.00 0.28 O ATOM 223 OD2 ASP A 13 13.432 10.419 12.461 1.00 0.55 O ATOM 0 H ASP A 13 9.847 9.039 14.493 1.00 0.18 H new ATOM 0 HA ASP A 13 10.955 8.219 12.239 1.00 0.21 H new ATOM 0 HB2 ASP A 13 11.953 9.229 14.873 1.00 0.25 H new ATOM 0 HB3 ASP A 13 13.203 8.443 13.929 1.00 0.25 H new ATOM 228 N PRO A 14 12.125 6.038 14.473 1.00 0.18 N ATOM 229 CA PRO A 14 12.787 4.734 14.591 1.00 0.19 C ATOM 230 C PRO A 14 11.994 3.558 14.013 1.00 0.18 C ATOM 231 O PRO A 14 12.579 2.631 13.454 1.00 0.21 O ATOM 232 CB PRO A 14 13.030 4.583 16.087 1.00 0.19 C ATOM 233 CG PRO A 14 11.996 5.483 16.736 1.00 0.16 C ATOM 234 CD PRO A 14 11.846 6.654 15.768 1.00 0.16 C ATOM 0 HA PRO A 14 13.702 4.709 13.998 1.00 0.19 H new ATOM 0 HB2 PRO A 14 12.910 3.548 16.405 1.00 0.19 H new ATOM 0 HB3 PRO A 14 14.042 4.884 16.356 1.00 0.19 H new ATOM 0 HG2 PRO A 14 11.049 4.962 16.878 1.00 0.16 H new ATOM 0 HG3 PRO A 14 12.325 5.820 17.719 1.00 0.16 H new ATOM 0 HD2 PRO A 14 10.845 7.084 15.805 1.00 0.16 H new ATOM 0 HD3 PRO A 14 12.547 7.458 15.993 1.00 0.16 H new ATOM 242 N CYS A 15 10.683 3.574 14.150 1.00 0.16 N ATOM 243 CA CYS A 15 9.886 2.480 13.635 1.00 0.16 C ATOM 244 C CYS A 15 9.664 2.617 12.134 1.00 0.18 C ATOM 245 O CYS A 15 9.840 1.659 11.392 1.00 0.19 O ATOM 246 CB CYS A 15 8.552 2.459 14.341 1.00 0.16 C ATOM 247 SG CYS A 15 8.830 2.274 16.107 1.00 0.16 S ATOM 0 H CYS A 15 10.155 4.318 14.605 1.00 0.16 H new ATOM 0 HA CYS A 15 10.423 1.549 13.816 1.00 0.16 H new ATOM 0 HB2 CYS A 15 8.005 3.380 14.140 1.00 0.16 H new ATOM 0 HB3 CYS A 15 7.941 1.637 13.968 1.00 0.16 H new ATOM 252 N ARG A 16 9.261 3.796 11.689 1.00 0.19 N ATOM 253 CA ARG A 16 9.012 3.994 10.270 1.00 0.21 C ATOM 254 C ARG A 16 10.228 3.533 9.456 1.00 0.23 C ATOM 255 O ARG A 16 10.083 2.903 8.409 1.00 0.26 O ATOM 256 CB ARG A 16 8.686 5.451 9.992 1.00 0.24 C ATOM 257 CG ARG A 16 9.933 6.287 10.150 1.00 0.28 C ATOM 258 CD ARG A 16 9.568 7.756 10.042 1.00 0.32 C ATOM 259 NE ARG A 16 8.775 7.991 8.844 1.00 0.99 N ATOM 260 CZ ARG A 16 9.310 7.928 7.625 1.00 1.04 C ATOM 261 NH1 ARG A 16 10.592 7.700 7.469 1.00 0.90 N ATOM 262 NH2 ARG A 16 8.551 8.112 6.575 1.00 1.92 N ATOM 0 H ARG A 16 9.102 4.615 12.275 1.00 0.19 H new ATOM 0 HA ARG A 16 8.153 3.394 9.969 1.00 0.21 H new ATOM 0 HB2 ARG A 16 8.289 5.559 8.983 1.00 0.24 H new ATOM 0 HB3 ARG A 16 7.913 5.799 10.678 1.00 0.24 H new ATOM 0 HG2 ARG A 16 10.400 6.086 11.114 1.00 0.28 H new ATOM 0 HG3 ARG A 16 10.661 6.024 9.383 1.00 0.28 H new ATOM 0 HD2 ARG A 16 9.007 8.065 10.924 1.00 0.32 H new ATOM 0 HD3 ARG A 16 10.474 8.362 10.012 1.00 0.32 H new ATOM 0 HE ARG A 16 7.783 8.210 8.940 1.00 0.99 H new ATOM 0 HH11 ARG A 16 11.190 7.569 8.285 1.00 0.90 H new ATOM 0 HH12 ARG A 16 10.991 7.654 6.532 1.00 0.90 H new ATOM 0 HH21 ARG A 16 7.556 8.302 6.692 1.00 1.92 H new ATOM 0 HH22 ARG A 16 8.955 8.065 5.639 1.00 1.92 H new ATOM 276 N LYS A 17 11.422 3.825 9.958 1.00 0.24 N ATOM 277 CA LYS A 17 12.644 3.410 9.282 1.00 0.28 C ATOM 278 C LYS A 17 12.769 1.884 9.308 1.00 0.28 C ATOM 279 O LYS A 17 13.119 1.258 8.308 1.00 0.31 O ATOM 280 CB LYS A 17 13.850 4.037 9.973 1.00 0.32 C ATOM 281 CG LYS A 17 13.758 5.556 9.872 1.00 0.83 C ATOM 282 CD LYS A 17 14.715 6.194 10.873 1.00 1.20 C ATOM 283 CE LYS A 17 14.374 7.673 11.023 1.00 2.11 C ATOM 284 NZ LYS A 17 15.189 8.268 12.119 1.00 2.76 N ATOM 0 H LYS A 17 11.569 4.343 10.824 1.00 0.24 H new ATOM 0 HA LYS A 17 12.607 3.744 8.245 1.00 0.28 H new ATOM 0 HB2 LYS A 17 13.883 3.732 11.019 1.00 0.32 H new ATOM 0 HB3 LYS A 17 14.772 3.686 9.510 1.00 0.32 H new ATOM 0 HG2 LYS A 17 14.005 5.879 8.861 1.00 0.83 H new ATOM 0 HG3 LYS A 17 12.737 5.883 10.070 1.00 0.83 H new ATOM 0 HD2 LYS A 17 14.639 5.692 11.837 1.00 1.20 H new ATOM 0 HD3 LYS A 17 15.744 6.079 10.534 1.00 1.20 H new ATOM 0 HE2 LYS A 17 14.567 8.197 10.087 1.00 2.11 H new ATOM 0 HE3 LYS A 17 13.313 7.791 11.241 1.00 2.11 H new ATOM 0 HZ1 LYS A 17 14.739 9.146 12.449 1.00 2.76 H new ATOM 0 HZ2 LYS A 17 15.253 7.594 12.909 1.00 2.76 H new ATOM 0 HZ3 LYS A 17 16.144 8.480 11.766 1.00 2.76 H new ATOM 298 N GLY A 18 12.492 1.294 10.463 1.00 0.27 N ATOM 299 CA GLY A 18 12.589 -0.153 10.618 1.00 0.30 C ATOM 300 C GLY A 18 11.280 -0.858 10.223 1.00 0.29 C ATOM 301 O GLY A 18 11.082 -2.029 10.544 1.00 0.34 O ATOM 0 H GLY A 18 12.199 1.792 11.304 1.00 0.27 H new ATOM 0 HA2 GLY A 18 13.405 -0.531 10.003 1.00 0.30 H new ATOM 0 HA3 GLY A 18 12.833 -0.392 11.653 1.00 0.30 H new ATOM 305 N LYS A 19 10.402 -0.152 9.520 1.00 0.26 N ATOM 306 CA LYS A 19 9.139 -0.727 9.078 1.00 0.27 C ATOM 307 C LYS A 19 8.290 -1.214 10.260 1.00 0.25 C ATOM 308 O LYS A 19 7.702 -2.292 10.210 1.00 0.33 O ATOM 309 CB LYS A 19 9.409 -1.885 8.127 1.00 0.33 C ATOM 310 CG LYS A 19 10.214 -1.377 6.935 1.00 1.04 C ATOM 311 CD LYS A 19 10.380 -2.496 5.915 1.00 1.08 C ATOM 312 CE LYS A 19 11.129 -1.962 4.698 1.00 1.80 C ATOM 313 NZ LYS A 19 11.267 -3.044 3.681 1.00 1.97 N ATOM 0 H LYS A 19 10.542 0.820 9.244 1.00 0.26 H new ATOM 0 HA LYS A 19 8.578 0.054 8.565 1.00 0.27 H new ATOM 0 HB2 LYS A 19 9.957 -2.674 8.642 1.00 0.33 H new ATOM 0 HB3 LYS A 19 8.469 -2.320 7.788 1.00 0.33 H new ATOM 0 HG2 LYS A 19 9.708 -0.527 6.478 1.00 1.04 H new ATOM 0 HG3 LYS A 19 11.191 -1.026 7.267 1.00 1.04 H new ATOM 0 HD2 LYS A 19 10.928 -3.328 6.357 1.00 1.08 H new ATOM 0 HD3 LYS A 19 9.404 -2.879 5.616 1.00 1.08 H new ATOM 0 HE2 LYS A 19 10.593 -1.114 4.271 1.00 1.80 H new ATOM 0 HE3 LYS A 19 12.113 -1.600 4.994 1.00 1.80 H new ATOM 0 HZ1 LYS A 19 11.778 -2.678 2.852 1.00 1.97 H new ATOM 0 HZ2 LYS A 19 11.797 -3.840 4.091 1.00 1.97 H new ATOM 0 HZ3 LYS A 19 10.323 -3.369 3.390 1.00 1.97 H new ATOM 327 N ARG A 20 8.196 -0.398 11.300 1.00 0.18 N ATOM 328 CA ARG A 20 7.382 -0.740 12.453 1.00 0.17 C ATOM 329 C ARG A 20 6.269 0.290 12.597 1.00 0.16 C ATOM 330 O ARG A 20 6.502 1.491 12.502 1.00 0.17 O ATOM 331 CB ARG A 20 8.216 -0.743 13.732 1.00 0.19 C ATOM 332 CG ARG A 20 9.199 -1.903 13.722 1.00 0.30 C ATOM 333 CD ARG A 20 9.820 -2.029 15.110 1.00 1.32 C ATOM 334 NE ARG A 20 10.970 -2.917 15.066 1.00 1.50 N ATOM 335 CZ ARG A 20 12.119 -2.538 14.513 1.00 2.17 C ATOM 336 NH1 ARG A 20 12.251 -1.332 14.012 1.00 2.95 N ATOM 337 NH2 ARG A 20 13.128 -3.369 14.482 1.00 2.48 N ATOM 0 H ARG A 20 8.672 0.502 11.367 1.00 0.18 H new ATOM 0 HA ARG A 20 6.970 -1.738 12.301 1.00 0.17 H new ATOM 0 HB2 ARG A 20 8.757 0.199 13.823 1.00 0.19 H new ATOM 0 HB3 ARG A 20 7.561 -0.820 14.600 1.00 0.19 H new ATOM 0 HG2 ARG A 20 8.690 -2.828 13.450 1.00 0.30 H new ATOM 0 HG3 ARG A 20 9.975 -1.735 12.975 1.00 0.30 H new ATOM 0 HD2 ARG A 20 10.124 -1.046 15.471 1.00 1.32 H new ATOM 0 HD3 ARG A 20 9.081 -2.413 15.814 1.00 1.32 H new ATOM 0 HE ARG A 20 10.894 -3.851 15.468 1.00 1.50 H new ATOM 0 HH11 ARG A 20 11.469 -0.678 14.045 1.00 2.95 H new ATOM 0 HH12 ARG A 20 13.135 -1.049 13.590 1.00 2.95 H new ATOM 0 HH21 ARG A 20 13.032 -4.303 14.881 1.00 2.48 H new ATOM 0 HH22 ARG A 20 14.011 -3.083 14.059 1.00 2.48 H new ATOM 351 N ARG A 21 5.067 -0.183 12.844 1.00 0.16 N ATOM 352 CA ARG A 21 3.942 0.707 13.028 1.00 0.17 C ATOM 353 C ARG A 21 3.656 0.804 14.519 1.00 0.16 C ATOM 354 O ARG A 21 3.472 -0.212 15.187 1.00 0.19 O ATOM 355 CB ARG A 21 2.724 0.159 12.308 1.00 0.21 C ATOM 356 CG ARG A 21 3.128 -0.321 10.918 1.00 0.28 C ATOM 357 CD ARG A 21 1.907 -0.879 10.197 1.00 0.60 C ATOM 358 NE ARG A 21 2.293 -1.380 8.885 1.00 0.75 N ATOM 359 CZ ARG A 21 1.419 -1.994 8.093 1.00 1.37 C ATOM 360 NH1 ARG A 21 0.180 -2.168 8.483 1.00 2.08 N ATOM 361 NH2 ARG A 21 1.801 -2.429 6.920 1.00 1.62 N ATOM 0 H ARG A 21 4.844 -1.175 12.922 1.00 0.16 H new ATOM 0 HA ARG A 21 4.172 1.691 12.620 1.00 0.17 H new ATOM 0 HB2 ARG A 21 2.292 -0.664 12.877 1.00 0.21 H new ATOM 0 HB3 ARG A 21 1.957 0.930 12.230 1.00 0.21 H new ATOM 0 HG2 ARG A 21 3.555 0.503 10.347 1.00 0.28 H new ATOM 0 HG3 ARG A 21 3.899 -1.088 10.996 1.00 0.28 H new ATOM 0 HD2 ARG A 21 1.461 -1.681 10.785 1.00 0.60 H new ATOM 0 HD3 ARG A 21 1.150 -0.102 10.091 1.00 0.60 H new ATOM 0 HE ARG A 21 3.254 -1.257 8.567 1.00 0.75 H new ATOM 0 HH11 ARG A 21 -0.118 -1.832 9.399 1.00 2.08 H new ATOM 0 HH12 ARG A 21 -0.486 -2.640 7.871 1.00 2.08 H new ATOM 0 HH21 ARG A 21 2.766 -2.297 6.616 1.00 1.62 H new ATOM 0 HH22 ARG A 21 1.134 -2.901 6.309 1.00 1.62 H new ATOM 375 N CYS A 22 3.646 2.011 15.049 1.00 0.14 N ATOM 376 CA CYS A 22 3.411 2.163 16.475 1.00 0.14 C ATOM 377 C CYS A 22 2.134 2.936 16.779 1.00 0.16 C ATOM 378 O CYS A 22 1.396 3.351 15.887 1.00 0.18 O ATOM 379 CB CYS A 22 4.582 2.865 17.146 1.00 0.13 C ATOM 380 SG CYS A 22 5.405 4.018 16.020 1.00 0.16 S ATOM 0 H CYS A 22 3.793 2.879 14.534 1.00 0.14 H new ATOM 0 HA CYS A 22 3.302 1.154 16.873 1.00 0.14 H new ATOM 0 HB2 CYS A 22 4.228 3.404 18.025 1.00 0.13 H new ATOM 0 HB3 CYS A 22 5.300 2.123 17.495 1.00 0.13 H new ATOM 385 N ASP A 23 1.905 3.118 18.071 1.00 0.18 N ATOM 386 CA ASP A 23 0.743 3.838 18.560 1.00 0.21 C ATOM 387 C ASP A 23 0.861 5.308 18.174 1.00 0.20 C ATOM 388 O ASP A 23 -0.125 5.951 17.820 1.00 0.25 O ATOM 389 CB ASP A 23 0.681 3.719 20.081 1.00 0.24 C ATOM 390 CG ASP A 23 1.044 2.295 20.517 1.00 0.38 C ATOM 391 OD1 ASP A 23 0.181 1.437 20.445 1.00 0.56 O ATOM 392 OD2 ASP A 23 2.190 2.086 20.899 1.00 0.59 O ATOM 0 H ASP A 23 2.519 2.771 18.807 1.00 0.18 H new ATOM 0 HA ASP A 23 -0.161 3.416 18.121 1.00 0.21 H new ATOM 0 HB2 ASP A 23 1.367 4.433 20.537 1.00 0.24 H new ATOM 0 HB3 ASP A 23 -0.320 3.970 20.432 1.00 0.24 H new ATOM 397 N ALA A 24 2.085 5.820 18.259 1.00 0.17 N ATOM 398 CA ALA A 24 2.377 7.207 17.931 1.00 0.18 C ATOM 399 C ALA A 24 1.547 7.675 16.734 1.00 0.21 C ATOM 400 O ALA A 24 1.837 7.332 15.588 1.00 0.24 O ATOM 401 CB ALA A 24 3.857 7.341 17.593 1.00 0.17 C ATOM 0 H ALA A 24 2.900 5.284 18.557 1.00 0.17 H new ATOM 0 HA ALA A 24 2.125 7.826 18.792 1.00 0.18 H new ATOM 0 HB1 ALA A 24 4.081 8.379 17.346 1.00 0.17 H new ATOM 0 HB2 ALA A 24 4.455 7.034 18.451 1.00 0.17 H new ATOM 0 HB3 ALA A 24 4.094 6.706 16.740 1.00 0.17 H new ATOM 407 N PRO A 25 0.507 8.475 16.991 1.00 0.25 N ATOM 408 CA PRO A 25 -0.366 9.006 15.954 1.00 0.30 C ATOM 409 C PRO A 25 0.277 10.187 15.241 1.00 0.29 C ATOM 410 O PRO A 25 1.471 10.431 15.381 1.00 0.34 O ATOM 411 CB PRO A 25 -1.611 9.435 16.717 1.00 0.38 C ATOM 412 CG PRO A 25 -1.130 9.734 18.130 1.00 0.39 C ATOM 413 CD PRO A 25 0.140 8.909 18.337 1.00 0.28 C ATOM 0 HA PRO A 25 -0.580 8.278 15.171 1.00 0.30 H new ATOM 0 HB2 PRO A 25 -2.068 10.314 16.262 1.00 0.38 H new ATOM 0 HB3 PRO A 25 -2.364 8.647 16.716 1.00 0.38 H new ATOM 0 HG2 PRO A 25 -0.927 10.798 18.254 1.00 0.39 H new ATOM 0 HG3 PRO A 25 -1.890 9.467 18.864 1.00 0.39 H new ATOM 0 HD2 PRO A 25 0.931 9.503 18.794 1.00 0.28 H new ATOM 0 HD3 PRO A 25 -0.040 8.059 18.995 1.00 0.28 H new ATOM 421 N GLU A 26 -0.520 10.949 14.520 1.00 0.33 N ATOM 422 CA GLU A 26 0.001 12.120 13.854 1.00 0.34 C ATOM 423 C GLU A 26 0.221 13.182 14.919 1.00 0.38 C ATOM 424 O GLU A 26 0.988 14.128 14.747 1.00 0.46 O ATOM 425 CB GLU A 26 -1.003 12.617 12.821 1.00 0.40 C ATOM 426 CG GLU A 26 -0.349 13.670 11.938 1.00 1.29 C ATOM 427 CD GLU A 26 -1.241 13.951 10.730 1.00 1.47 C ATOM 428 OE1 GLU A 26 -1.503 13.019 9.987 1.00 1.86 O ATOM 429 OE2 GLU A 26 -1.643 15.089 10.567 1.00 1.92 O ATOM 0 H GLU A 26 -1.517 10.780 14.383 1.00 0.33 H new ATOM 0 HA GLU A 26 0.934 11.892 13.338 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -1.355 11.785 12.212 1.00 0.40 H new ATOM 0 HB3 GLU A 26 -1.876 13.038 13.320 1.00 0.40 H new ATOM 0 HG2 GLU A 26 -0.189 14.587 12.506 1.00 1.29 H new ATOM 0 HG3 GLU A 26 0.630 13.325 11.607 1.00 1.29 H new ATOM 436 N ASN A 27 -0.487 13.003 16.022 1.00 0.38 N ATOM 437 CA ASN A 27 -0.427 13.908 17.128 1.00 0.44 C ATOM 438 C ASN A 27 0.353 13.284 18.287 1.00 0.38 C ATOM 439 O ASN A 27 -0.123 13.268 19.415 1.00 0.41 O ATOM 440 CB ASN A 27 -1.853 14.168 17.566 1.00 0.54 C ATOM 441 CG ASN A 27 -2.702 14.570 16.365 1.00 1.15 C ATOM 442 OD1 ASN A 27 -3.063 13.742 15.528 1.00 2.07 O ATOM 443 ND2 ASN A 27 -3.031 15.816 16.246 1.00 1.63 N ATOM 0 H ASN A 27 -1.120 12.216 16.163 1.00 0.38 H new ATOM 0 HA ASN A 27 0.076 14.830 16.838 1.00 0.44 H new ATOM 0 HB2 ASN A 27 -2.268 13.274 18.032 1.00 0.54 H new ATOM 0 HB3 ASN A 27 -1.873 14.958 18.317 1.00 0.54 H new ATOM 0 HD21 ASN A 27 -3.595 16.121 15.453 1.00 1.63 H new ATOM 0 HD22 ASN A 27 -2.726 16.493 16.945 1.00 1.63 H new ATOM 450 N ARG A 28 1.544 12.768 18.012 1.00 0.32 N ATOM 451 CA ARG A 28 2.350 12.158 19.048 1.00 0.27 C ATOM 452 C ARG A 28 2.688 13.195 20.124 1.00 0.28 C ATOM 453 O ARG A 28 2.813 12.867 21.299 1.00 0.26 O ATOM 454 CB ARG A 28 3.620 11.599 18.419 1.00 0.25 C ATOM 455 CG ARG A 28 4.839 12.313 18.975 1.00 0.27 C ATOM 456 CD ARG A 28 6.023 12.068 18.057 1.00 0.30 C ATOM 457 NE ARG A 28 7.147 12.895 18.474 1.00 0.48 N ATOM 458 CZ ARG A 28 7.785 12.680 19.623 1.00 0.64 C ATOM 459 NH1 ARG A 28 7.468 11.660 20.384 1.00 1.64 N ATOM 460 NH2 ARG A 28 8.754 13.484 19.982 1.00 0.55 N ATOM 0 H ARG A 28 1.967 12.762 17.084 1.00 0.32 H new ATOM 0 HA ARG A 28 1.798 11.346 19.521 1.00 0.27 H new ATOM 0 HB2 ARG A 28 3.693 10.530 18.619 1.00 0.25 H new ATOM 0 HB3 ARG A 28 3.582 11.719 17.336 1.00 0.25 H new ATOM 0 HG2 ARG A 28 4.643 13.382 19.058 1.00 0.27 H new ATOM 0 HG3 ARG A 28 5.061 11.951 19.979 1.00 0.27 H new ATOM 0 HD2 ARG A 28 6.304 11.015 18.083 1.00 0.30 H new ATOM 0 HD3 ARG A 28 5.751 12.300 17.027 1.00 0.30 H new ATOM 0 HE ARG A 28 7.453 13.658 17.871 1.00 0.48 H new ATOM 0 HH11 ARG A 28 6.726 11.021 20.098 1.00 1.64 H new ATOM 0 HH12 ARG A 28 7.964 11.505 21.262 1.00 1.64 H new ATOM 0 HH21 ARG A 28 9.015 14.268 19.383 1.00 0.55 H new ATOM 0 HH22 ARG A 28 9.248 13.327 20.860 1.00 0.55 H new ATOM 474 N ASN A 29 2.798 14.454 19.725 1.00 0.33 N ATOM 475 CA ASN A 29 3.080 15.509 20.684 1.00 0.36 C ATOM 476 C ASN A 29 1.826 15.733 21.518 1.00 0.35 C ATOM 477 O ASN A 29 1.867 15.775 22.747 1.00 0.35 O ATOM 478 CB ASN A 29 3.460 16.794 19.956 1.00 0.43 C ATOM 479 CG ASN A 29 3.740 17.903 20.973 1.00 1.26 C ATOM 480 OD1 ASN A 29 2.832 18.417 21.623 1.00 2.03 O ATOM 481 ND2 ASN A 29 4.975 18.289 21.137 1.00 1.98 N ATOM 0 H ASN A 29 2.698 14.766 18.759 1.00 0.33 H new ATOM 0 HA ASN A 29 3.914 15.223 21.324 1.00 0.36 H new ATOM 0 HB2 ASN A 29 4.341 16.625 19.337 1.00 0.43 H new ATOM 0 HB3 ASN A 29 2.654 17.096 19.288 1.00 0.43 H new ATOM 0 HD21 ASN A 29 5.195 19.024 21.810 1.00 1.98 H new ATOM 0 HD22 ASN A 29 5.721 17.856 20.593 1.00 1.98 H new ATOM 488 N GLU A 30 0.705 15.826 20.828 1.00 0.38 N ATOM 489 CA GLU A 30 -0.577 15.992 21.482 1.00 0.41 C ATOM 490 C GLU A 30 -0.890 14.738 22.306 1.00 0.37 C ATOM 491 O GLU A 30 -1.704 14.761 23.226 1.00 0.41 O ATOM 492 CB GLU A 30 -1.649 16.196 20.419 1.00 0.48 C ATOM 493 CG GLU A 30 -2.576 17.322 20.840 1.00 0.58 C ATOM 494 CD GLU A 30 -3.585 16.809 21.867 1.00 1.33 C ATOM 495 OE1 GLU A 30 -4.349 15.924 21.520 1.00 1.87 O ATOM 496 OE2 GLU A 30 -3.575 17.305 22.980 1.00 2.03 O ATOM 0 H GLU A 30 0.658 15.789 19.810 1.00 0.38 H new ATOM 0 HA GLU A 30 -0.552 16.857 22.144 1.00 0.41 H new ATOM 0 HB2 GLU A 30 -1.185 16.432 19.461 1.00 0.48 H new ATOM 0 HB3 GLU A 30 -2.217 15.276 20.280 1.00 0.48 H new ATOM 0 HG2 GLU A 30 -1.997 18.142 21.265 1.00 0.58 H new ATOM 0 HG3 GLU A 30 -3.099 17.718 19.970 1.00 0.58 H new ATOM 503 N ALA A 31 -0.216 13.647 21.971 1.00 0.31 N ATOM 504 CA ALA A 31 -0.395 12.396 22.672 1.00 0.29 C ATOM 505 C ALA A 31 0.295 12.503 24.028 1.00 0.29 C ATOM 506 O ALA A 31 -0.220 12.041 25.042 1.00 0.31 O ATOM 507 CB ALA A 31 0.214 11.262 21.842 1.00 0.28 C ATOM 0 H ALA A 31 0.464 13.610 21.211 1.00 0.31 H new ATOM 0 HA ALA A 31 -1.454 12.184 22.822 1.00 0.29 H new ATOM 0 HB1 ALA A 31 0.082 10.316 22.366 1.00 0.28 H new ATOM 0 HB2 ALA A 31 -0.283 11.213 20.873 1.00 0.28 H new ATOM 0 HB3 ALA A 31 1.278 11.450 21.695 1.00 0.28 H new ATOM 513 N ASN A 32 1.450 13.152 24.037 1.00 0.35 N ATOM 514 CA ASN A 32 2.192 13.352 25.270 1.00 0.44 C ATOM 515 C ASN A 32 1.334 14.125 26.266 1.00 0.40 C ATOM 516 O ASN A 32 1.316 13.826 27.458 1.00 0.40 O ATOM 517 CB ASN A 32 3.459 14.149 24.988 1.00 0.67 C ATOM 518 CG ASN A 32 4.583 13.220 24.530 1.00 0.86 C ATOM 519 OD1 ASN A 32 5.527 12.951 25.272 1.00 1.50 O ATOM 520 ND2 ASN A 32 4.520 12.714 23.330 1.00 1.24 N ATOM 0 H ASN A 32 1.891 13.547 23.207 1.00 0.35 H new ATOM 0 HA ASN A 32 2.455 12.379 25.685 1.00 0.44 H new ATOM 0 HB2 ASN A 32 3.262 14.897 24.220 1.00 0.67 H new ATOM 0 HB3 ASN A 32 3.766 14.686 25.886 1.00 0.67 H new ATOM 0 HD21 ASN A 32 5.257 12.090 23.000 1.00 1.24 H new ATOM 0 HD22 ASN A 32 3.734 12.942 22.721 1.00 1.24 H new ATOM 527 N GLU A 33 0.630 15.124 25.762 1.00 0.44 N ATOM 528 CA GLU A 33 -0.221 15.941 26.612 1.00 0.52 C ATOM 529 C GLU A 33 -1.367 15.101 27.184 1.00 0.49 C ATOM 530 O GLU A 33 -1.759 15.266 28.338 1.00 0.54 O ATOM 531 CB GLU A 33 -0.785 17.102 25.802 1.00 0.62 C ATOM 532 CG GLU A 33 0.364 17.927 25.232 1.00 1.38 C ATOM 533 CD GLU A 33 -0.188 19.080 24.395 1.00 1.74 C ATOM 534 OE1 GLU A 33 -0.864 18.806 23.418 1.00 2.26 O ATOM 535 OE2 GLU A 33 0.073 20.218 24.747 1.00 2.16 O ATOM 0 H GLU A 33 0.630 15.388 24.777 1.00 0.44 H new ATOM 0 HA GLU A 33 0.373 16.329 27.439 1.00 0.52 H new ATOM 0 HB2 GLU A 33 -1.413 16.725 24.994 1.00 0.62 H new ATOM 0 HB3 GLU A 33 -1.418 17.726 26.433 1.00 0.62 H new ATOM 0 HG2 GLU A 33 0.980 18.317 26.042 1.00 1.38 H new ATOM 0 HG3 GLU A 33 1.007 17.296 24.618 1.00 1.38 H new ATOM 542 N ASN A 34 -1.907 14.214 26.364 1.00 0.48 N ATOM 543 CA ASN A 34 -3.013 13.368 26.789 1.00 0.53 C ATOM 544 C ASN A 34 -2.558 12.308 27.798 1.00 0.49 C ATOM 545 O ASN A 34 -3.309 11.936 28.698 1.00 0.60 O ATOM 546 CB ASN A 34 -3.619 12.691 25.568 1.00 0.55 C ATOM 547 CG ASN A 34 -4.713 13.578 24.979 1.00 0.66 C ATOM 548 OD1 ASN A 34 -5.863 13.543 25.413 1.00 0.79 O ATOM 549 ND2 ASN A 34 -4.392 14.395 24.017 1.00 0.67 N ATOM 0 H ASN A 34 -1.600 14.061 25.404 1.00 0.48 H new ATOM 0 HA ASN A 34 -3.756 13.995 27.281 1.00 0.53 H new ATOM 0 HB2 ASN A 34 -2.846 12.506 24.822 1.00 0.55 H new ATOM 0 HB3 ASN A 34 -4.033 11.722 25.845 1.00 0.55 H new ATOM 0 HD21 ASN A 34 -5.097 15.014 23.617 1.00 0.67 H new ATOM 0 HD22 ASN A 34 -3.435 14.416 23.664 1.00 0.67 H new ATOM 556 N GLY A 35 -1.340 11.813 27.643 1.00 0.41 N ATOM 557 CA GLY A 35 -0.834 10.788 28.552 1.00 0.44 C ATOM 558 C GLY A 35 0.273 9.968 27.882 1.00 0.48 C ATOM 559 O GLY A 35 1.167 9.448 28.548 1.00 0.97 O ATOM 0 H GLY A 35 -0.690 12.096 26.910 1.00 0.41 H new ATOM 0 HA2 GLY A 35 -0.449 11.256 29.458 1.00 0.44 H new ATOM 0 HA3 GLY A 35 -1.648 10.130 28.855 1.00 0.44 H new ATOM 563 N TRP A 36 0.207 9.874 26.563 1.00 0.37 N ATOM 564 CA TRP A 36 1.202 9.148 25.791 1.00 0.33 C ATOM 565 C TRP A 36 2.576 9.799 26.020 1.00 0.32 C ATOM 566 O TRP A 36 2.694 10.765 26.768 1.00 0.37 O ATOM 567 CB TRP A 36 0.791 9.234 24.321 1.00 0.31 C ATOM 568 CG TRP A 36 1.520 8.322 23.387 1.00 0.29 C ATOM 569 CD1 TRP A 36 1.257 7.009 23.202 1.00 0.34 C ATOM 570 CD2 TRP A 36 2.607 8.649 22.482 1.00 0.25 C ATOM 571 NE1 TRP A 36 2.122 6.516 22.238 1.00 0.33 N ATOM 572 CE2 TRP A 36 2.973 7.489 21.767 1.00 0.28 C ATOM 573 CE3 TRP A 36 3.301 9.835 22.224 1.00 0.24 C ATOM 574 CZ2 TRP A 36 3.997 7.508 20.822 1.00 0.29 C ATOM 575 CZ3 TRP A 36 4.331 9.858 21.277 1.00 0.25 C ATOM 576 CH2 TRP A 36 4.681 8.697 20.574 1.00 0.27 C ATOM 0 H TRP A 36 -0.533 10.296 26.001 1.00 0.37 H new ATOM 0 HA TRP A 36 1.266 8.102 26.092 1.00 0.33 H new ATOM 0 HB2 TRP A 36 -0.275 9.021 24.248 1.00 0.31 H new ATOM 0 HB3 TRP A 36 0.935 10.260 23.983 1.00 0.31 H new ATOM 0 HD1 TRP A 36 0.499 6.439 23.719 1.00 0.34 H new ATOM 0 HE1 TRP A 36 2.127 5.548 21.916 1.00 0.33 H new ATOM 0 HE3 TRP A 36 3.041 10.737 22.758 1.00 0.24 H new ATOM 0 HZ2 TRP A 36 4.259 6.608 20.286 1.00 0.29 H new ATOM 0 HZ3 TRP A 36 4.861 10.779 21.086 1.00 0.25 H new ATOM 0 HH2 TRP A 36 5.476 8.724 19.844 1.00 0.27 H new ATOM 587 N VAL A 37 3.610 9.273 25.390 1.00 0.30 N ATOM 588 CA VAL A 37 4.941 9.832 25.558 1.00 0.34 C ATOM 589 C VAL A 37 5.877 9.280 24.484 1.00 0.55 C ATOM 590 O VAL A 37 6.632 10.021 23.856 1.00 1.58 O ATOM 591 CB VAL A 37 5.469 9.504 26.954 1.00 0.39 C ATOM 592 CG1 VAL A 37 5.233 8.030 27.272 1.00 0.55 C ATOM 593 CG2 VAL A 37 6.963 9.801 27.013 1.00 0.43 C ATOM 0 H VAL A 37 3.557 8.469 24.764 1.00 0.30 H new ATOM 0 HA VAL A 37 4.893 10.916 25.451 1.00 0.34 H new ATOM 0 HB VAL A 37 4.942 10.115 27.686 1.00 0.39 H new ATOM 0 HG11 VAL A 37 5.613 7.807 28.269 1.00 0.55 H new ATOM 0 HG12 VAL A 37 4.165 7.816 27.235 1.00 0.55 H new ATOM 0 HG13 VAL A 37 5.752 7.412 26.539 1.00 0.55 H new ATOM 0 HG21 VAL A 37 7.341 9.568 28.008 1.00 0.43 H new ATOM 0 HG22 VAL A 37 7.484 9.192 26.275 1.00 0.43 H new ATOM 0 HG23 VAL A 37 7.133 10.856 26.798 1.00 0.43 H new ATOM 603 N SER A 38 5.799 7.980 24.261 1.00 0.44 N ATOM 604 CA SER A 38 6.605 7.336 23.259 1.00 0.28 C ATOM 605 C SER A 38 5.951 6.016 22.897 1.00 0.26 C ATOM 606 O SER A 38 5.319 5.365 23.730 1.00 0.36 O ATOM 607 CB SER A 38 8.014 7.095 23.773 1.00 0.24 C ATOM 608 OG SER A 38 7.974 6.851 25.171 1.00 1.06 O ATOM 0 H SER A 38 5.177 7.351 24.770 1.00 0.44 H new ATOM 0 HA SER A 38 6.676 7.977 22.380 1.00 0.28 H new ATOM 0 HB2 SER A 38 8.460 6.244 23.257 1.00 0.24 H new ATOM 0 HB3 SER A 38 8.642 7.960 23.562 1.00 0.24 H new ATOM 0 HG SER A 38 8.883 6.694 25.502 1.00 1.06 H new ATOM 614 N CYS A 39 6.084 5.650 21.649 1.00 0.18 N ATOM 615 CA CYS A 39 5.491 4.434 21.159 1.00 0.18 C ATOM 616 C CYS A 39 6.094 3.229 21.872 1.00 0.19 C ATOM 617 O CYS A 39 7.191 3.300 22.428 1.00 0.20 O ATOM 618 CB CYS A 39 5.712 4.329 19.659 1.00 0.13 C ATOM 619 SG CYS A 39 7.443 3.955 19.291 1.00 0.09 S ATOM 0 H CYS A 39 6.602 6.181 20.949 1.00 0.18 H new ATOM 0 HA CYS A 39 4.420 4.450 21.360 1.00 0.18 H new ATOM 0 HB2 CYS A 39 5.071 3.550 19.246 1.00 0.13 H new ATOM 0 HB3 CYS A 39 5.427 5.265 19.178 1.00 0.13 H new ATOM 624 N SER A 40 5.356 2.133 21.870 1.00 0.22 N ATOM 625 CA SER A 40 5.803 0.923 22.531 1.00 0.26 C ATOM 626 C SER A 40 7.205 0.516 22.066 1.00 0.23 C ATOM 627 O SER A 40 7.973 -0.048 22.839 1.00 0.27 O ATOM 628 CB SER A 40 4.811 -0.196 22.245 1.00 0.30 C ATOM 629 OG SER A 40 4.381 -0.107 20.894 1.00 0.99 O ATOM 0 H SER A 40 4.445 2.057 21.418 1.00 0.22 H new ATOM 0 HA SER A 40 5.854 1.111 23.604 1.00 0.26 H new ATOM 0 HB2 SER A 40 5.275 -1.165 22.428 1.00 0.30 H new ATOM 0 HB3 SER A 40 3.956 -0.120 22.917 1.00 0.30 H new ATOM 0 HG SER A 40 3.743 -0.827 20.706 1.00 0.99 H new ATOM 635 N ASN A 41 7.544 0.806 20.818 1.00 0.18 N ATOM 636 CA ASN A 41 8.862 0.458 20.314 1.00 0.18 C ATOM 637 C ASN A 41 9.933 1.218 21.094 1.00 0.17 C ATOM 638 O ASN A 41 10.823 0.620 21.690 1.00 0.22 O ATOM 639 CB ASN A 41 8.965 0.809 18.837 1.00 0.15 C ATOM 640 CG ASN A 41 8.151 -0.177 17.998 1.00 0.17 C ATOM 641 OD1 ASN A 41 8.373 -1.386 18.039 1.00 0.22 O ATOM 642 ND2 ASN A 41 7.213 0.304 17.230 1.00 0.14 N ATOM 0 H ASN A 41 6.935 1.274 20.146 1.00 0.18 H new ATOM 0 HA ASN A 41 9.015 -0.614 20.439 1.00 0.18 H new ATOM 0 HB2 ASN A 41 8.602 1.823 18.671 1.00 0.15 H new ATOM 0 HB3 ASN A 41 10.009 0.788 18.523 1.00 0.15 H new ATOM 0 HD21 ASN A 41 6.653 -0.325 16.654 1.00 0.14 H new ATOM 0 HD22 ASN A 41 7.039 1.309 17.205 1.00 0.14 H new ATOM 649 N CYS A 42 9.839 2.539 21.086 1.00 0.13 N ATOM 650 CA CYS A 42 10.807 3.359 21.802 1.00 0.15 C ATOM 651 C CYS A 42 10.869 2.950 23.272 1.00 0.17 C ATOM 652 O CYS A 42 11.941 2.789 23.823 1.00 0.21 O ATOM 653 CB CYS A 42 10.425 4.826 21.712 1.00 0.17 C ATOM 654 SG CYS A 42 10.852 5.470 20.080 1.00 0.16 S ATOM 0 H CYS A 42 9.112 3.062 20.598 1.00 0.13 H new ATOM 0 HA CYS A 42 11.784 3.208 21.342 1.00 0.15 H new ATOM 0 HB2 CYS A 42 9.357 4.945 21.892 1.00 0.17 H new ATOM 0 HB3 CYS A 42 10.943 5.394 22.484 1.00 0.17 H new ATOM 659 N LYS A 43 9.723 2.803 23.913 1.00 0.21 N ATOM 660 CA LYS A 43 9.716 2.422 25.321 1.00 0.27 C ATOM 661 C LYS A 43 10.254 0.994 25.517 1.00 0.27 C ATOM 662 O LYS A 43 10.732 0.645 26.595 1.00 0.36 O ATOM 663 CB LYS A 43 8.302 2.507 25.869 1.00 0.36 C ATOM 664 CG LYS A 43 7.966 3.966 26.138 1.00 0.59 C ATOM 665 CD LYS A 43 6.584 4.065 26.764 1.00 0.79 C ATOM 666 CE LYS A 43 6.541 3.239 28.047 1.00 1.15 C ATOM 667 NZ LYS A 43 5.235 3.451 28.734 1.00 1.63 N ATOM 0 H LYS A 43 8.802 2.937 23.496 1.00 0.21 H new ATOM 0 HA LYS A 43 10.366 3.111 25.859 1.00 0.27 H new ATOM 0 HB2 LYS A 43 7.595 2.082 25.156 1.00 0.36 H new ATOM 0 HB3 LYS A 43 8.218 1.925 26.787 1.00 0.36 H new ATOM 0 HG2 LYS A 43 8.710 4.404 26.804 1.00 0.59 H new ATOM 0 HG3 LYS A 43 7.996 4.534 25.208 1.00 0.59 H new ATOM 0 HD2 LYS A 43 6.347 5.106 26.982 1.00 0.79 H new ATOM 0 HD3 LYS A 43 5.830 3.706 26.063 1.00 0.79 H new ATOM 0 HE2 LYS A 43 6.675 2.182 27.816 1.00 1.15 H new ATOM 0 HE3 LYS A 43 7.361 3.527 28.705 1.00 1.15 H new ATOM 0 HZ1 LYS A 43 5.207 2.888 29.608 1.00 1.63 H new ATOM 0 HZ2 LYS A 43 5.125 4.458 28.968 1.00 1.63 H new ATOM 0 HZ3 LYS A 43 4.460 3.155 28.106 1.00 1.63 H new ATOM 681 N ARG A 44 10.152 0.167 24.485 1.00 0.29 N ATOM 682 CA ARG A 44 10.606 -1.216 24.574 1.00 0.31 C ATOM 683 C ARG A 44 12.123 -1.320 24.388 1.00 0.30 C ATOM 684 O ARG A 44 12.824 -1.927 25.195 1.00 0.34 O ATOM 685 CB ARG A 44 9.905 -2.039 23.492 1.00 0.38 C ATOM 686 CG ARG A 44 10.689 -3.316 23.221 1.00 0.93 C ATOM 687 CD ARG A 44 9.936 -4.174 22.213 1.00 0.80 C ATOM 688 NE ARG A 44 8.777 -4.787 22.844 1.00 1.05 N ATOM 689 CZ ARG A 44 7.987 -5.622 22.175 1.00 1.51 C ATOM 690 NH1 ARG A 44 8.240 -5.916 20.923 1.00 2.25 N ATOM 691 NH2 ARG A 44 6.952 -6.155 22.772 1.00 1.70 N ATOM 0 H ARG A 44 9.761 0.427 23.580 1.00 0.29 H new ATOM 0 HA ARG A 44 10.360 -1.597 25.565 1.00 0.31 H new ATOM 0 HB2 ARG A 44 8.892 -2.285 23.809 1.00 0.38 H new ATOM 0 HB3 ARG A 44 9.819 -1.454 22.576 1.00 0.38 H new ATOM 0 HG2 ARG A 44 11.680 -3.072 22.838 1.00 0.93 H new ATOM 0 HG3 ARG A 44 10.834 -3.870 24.149 1.00 0.93 H new ATOM 0 HD2 ARG A 44 9.619 -3.562 21.368 1.00 0.80 H new ATOM 0 HD3 ARG A 44 10.595 -4.947 21.817 1.00 0.80 H new ATOM 0 HE ARG A 44 8.566 -4.572 23.819 1.00 1.05 H new ATOM 0 HH11 ARG A 44 9.047 -5.504 20.455 1.00 2.25 H new ATOM 0 HH12 ARG A 44 7.630 -6.557 20.416 1.00 2.25 H new ATOM 0 HH21 ARG A 44 6.754 -5.930 23.747 1.00 1.70 H new ATOM 0 HH22 ARG A 44 6.344 -6.796 22.263 1.00 1.70 H new ATOM 705 N TRP A 45 12.612 -0.749 23.304 1.00 0.26 N ATOM 706 CA TRP A 45 14.027 -0.800 22.985 1.00 0.29 C ATOM 707 C TRP A 45 14.756 0.414 23.555 1.00 0.29 C ATOM 708 O TRP A 45 15.979 0.505 23.470 1.00 0.34 O ATOM 709 CB TRP A 45 14.180 -0.799 21.470 1.00 0.30 C ATOM 710 CG TRP A 45 13.405 -1.881 20.792 1.00 0.33 C ATOM 711 CD1 TRP A 45 12.067 -2.025 20.870 1.00 0.30 C ATOM 712 CD2 TRP A 45 13.882 -2.956 19.932 1.00 0.41 C ATOM 713 NE1 TRP A 45 11.689 -3.120 20.134 1.00 0.35 N ATOM 714 CE2 TRP A 45 12.766 -3.729 19.529 1.00 0.42 C ATOM 715 CE3 TRP A 45 15.152 -3.339 19.466 1.00 0.49 C ATOM 716 CZ2 TRP A 45 12.903 -4.838 18.699 1.00 0.51 C ATOM 717 CZ3 TRP A 45 15.295 -4.457 18.627 1.00 0.58 C ATOM 718 CH2 TRP A 45 14.172 -5.205 18.244 1.00 0.59 C ATOM 0 H TRP A 45 12.046 -0.241 22.625 1.00 0.26 H new ATOM 0 HA TRP A 45 14.458 -1.702 23.421 1.00 0.29 H new ATOM 0 HB2 TRP A 45 13.857 0.167 21.081 1.00 0.30 H new ATOM 0 HB3 TRP A 45 15.235 -0.907 21.219 1.00 0.30 H new ATOM 0 HD1 TRP A 45 11.399 -1.381 21.423 1.00 0.30 H new ATOM 0 HE1 TRP A 45 10.726 -3.444 20.046 1.00 0.35 H new ATOM 0 HE3 TRP A 45 16.023 -2.770 19.755 1.00 0.49 H new ATOM 0 HZ2 TRP A 45 12.035 -5.411 18.409 1.00 0.51 H new ATOM 0 HZ3 TRP A 45 16.275 -4.742 18.275 1.00 0.58 H new ATOM 0 HH2 TRP A 45 14.288 -6.063 17.599 1.00 0.59 H new ATOM 729 N ASN A 46 13.998 1.360 24.088 1.00 0.26 N ATOM 730 CA ASN A 46 14.582 2.583 24.614 1.00 0.29 C ATOM 731 C ASN A 46 15.296 3.288 23.464 1.00 0.29 C ATOM 732 O ASN A 46 16.523 3.348 23.410 1.00 0.34 O ATOM 733 CB ASN A 46 15.552 2.261 25.746 1.00 0.36 C ATOM 734 CG ASN A 46 14.773 1.977 27.028 1.00 0.35 C ATOM 735 OD1 ASN A 46 14.870 2.712 28.010 1.00 0.63 O ATOM 736 ND2 ASN A 46 13.994 0.937 27.055 1.00 0.56 N ATOM 0 H ASN A 46 12.983 1.305 24.167 1.00 0.26 H new ATOM 0 HA ASN A 46 13.809 3.233 25.025 1.00 0.29 H new ATOM 0 HB2 ASN A 46 16.161 1.397 25.481 1.00 0.36 H new ATOM 0 HB3 ASN A 46 16.234 3.097 25.902 1.00 0.36 H new ATOM 0 HD21 ASN A 46 13.456 0.724 27.895 1.00 0.56 H new ATOM 0 HD22 ASN A 46 13.920 0.334 26.236 1.00 0.56 H new ATOM 743 N LYS A 47 14.503 3.765 22.512 1.00 0.24 N ATOM 744 CA LYS A 47 15.037 4.400 21.323 1.00 0.26 C ATOM 745 C LYS A 47 14.872 5.929 21.389 1.00 0.27 C ATOM 746 O LYS A 47 15.416 6.578 22.281 1.00 0.31 O ATOM 747 CB LYS A 47 14.307 3.819 20.113 1.00 0.24 C ATOM 748 CG LYS A 47 14.219 2.302 20.267 1.00 0.24 C ATOM 749 CD LYS A 47 13.347 1.711 19.163 1.00 0.26 C ATOM 750 CE LYS A 47 14.022 1.915 17.812 1.00 0.33 C ATOM 751 NZ LYS A 47 13.203 1.271 16.745 1.00 0.74 N ATOM 0 H LYS A 47 13.484 3.722 22.545 1.00 0.24 H new ATOM 0 HA LYS A 47 16.106 4.204 21.243 1.00 0.26 H new ATOM 0 HB2 LYS A 47 13.308 4.248 20.034 1.00 0.24 H new ATOM 0 HB3 LYS A 47 14.837 4.074 19.195 1.00 0.24 H new ATOM 0 HG2 LYS A 47 15.217 1.866 20.225 1.00 0.24 H new ATOM 0 HG3 LYS A 47 13.803 2.052 21.243 1.00 0.24 H new ATOM 0 HD2 LYS A 47 13.186 0.648 19.343 1.00 0.26 H new ATOM 0 HD3 LYS A 47 12.367 2.187 19.166 1.00 0.26 H new ATOM 0 HE2 LYS A 47 14.134 2.980 17.607 1.00 0.33 H new ATOM 0 HE3 LYS A 47 15.024 1.486 17.825 1.00 0.33 H new ATOM 0 HZ1 LYS A 47 13.654 1.424 15.821 1.00 0.74 H new ATOM 0 HZ2 LYS A 47 13.132 0.250 16.930 1.00 0.74 H new ATOM 0 HZ3 LYS A 47 12.251 1.689 16.739 1.00 0.74 H new ATOM 765 N ASP A 48 14.147 6.504 20.432 1.00 0.26 N ATOM 766 CA ASP A 48 13.959 7.940 20.390 1.00 0.30 C ATOM 767 C ASP A 48 12.672 8.292 19.648 1.00 0.25 C ATOM 768 O ASP A 48 12.655 8.398 18.421 1.00 0.27 O ATOM 769 CB ASP A 48 15.134 8.570 19.668 1.00 0.39 C ATOM 770 CG ASP A 48 14.937 10.084 19.582 1.00 0.55 C ATOM 771 OD1 ASP A 48 14.684 10.687 20.611 1.00 0.71 O ATOM 772 OD2 ASP A 48 15.043 10.615 18.489 1.00 1.35 O ATOM 0 H ASP A 48 13.684 5.993 19.680 1.00 0.26 H new ATOM 0 HA ASP A 48 13.891 8.317 21.410 1.00 0.30 H new ATOM 0 HB2 ASP A 48 16.061 8.344 20.196 1.00 0.39 H new ATOM 0 HB3 ASP A 48 15.226 8.148 18.667 1.00 0.39 H new ATOM 777 N CYS A 49 11.600 8.472 20.395 1.00 0.21 N ATOM 778 CA CYS A 49 10.322 8.817 19.793 1.00 0.19 C ATOM 779 C CYS A 49 10.350 10.259 19.289 1.00 0.21 C ATOM 780 O CYS A 49 10.279 11.201 20.075 1.00 0.25 O ATOM 781 CB CYS A 49 9.206 8.664 20.818 1.00 0.19 C ATOM 782 SG CYS A 49 7.799 7.855 20.028 1.00 0.18 S ATOM 0 H CYS A 49 11.585 8.387 21.411 1.00 0.21 H new ATOM 0 HA CYS A 49 10.140 8.145 18.954 1.00 0.19 H new ATOM 0 HB2 CYS A 49 9.552 8.075 21.668 1.00 0.19 H new ATOM 0 HB3 CYS A 49 8.912 9.640 21.205 1.00 0.19 H new ATOM 787 N THR A 50 10.447 10.424 17.979 1.00 0.20 N ATOM 788 CA THR A 50 10.466 11.758 17.398 1.00 0.23 C ATOM 789 C THR A 50 9.797 11.754 16.028 1.00 0.22 C ATOM 790 O THR A 50 9.751 10.731 15.345 1.00 0.21 O ATOM 791 CB THR A 50 11.902 12.253 17.260 1.00 0.28 C ATOM 792 OG1 THR A 50 11.914 13.477 16.533 1.00 0.35 O ATOM 793 CG2 THR A 50 12.739 11.213 16.523 1.00 0.28 C ATOM 0 H THR A 50 10.513 9.661 17.305 1.00 0.20 H new ATOM 0 HA THR A 50 9.916 12.426 18.061 1.00 0.23 H new ATOM 0 HB THR A 50 12.324 12.414 18.252 1.00 0.28 H new ATOM 0 HG1 THR A 50 12.669 14.026 16.830 1.00 0.35 H new ATOM 0 HG21 THR A 50 13.764 11.572 16.427 1.00 0.28 H new ATOM 0 HG22 THR A 50 12.733 10.278 17.083 1.00 0.28 H new ATOM 0 HG23 THR A 50 12.319 11.045 15.531 1.00 0.28 H new ATOM 801 N PHE A 51 9.314 12.915 15.622 1.00 0.24 N ATOM 802 CA PHE A 51 8.691 13.066 14.332 1.00 0.25 C ATOM 803 C PHE A 51 9.610 13.889 13.449 1.00 0.28 C ATOM 804 O PHE A 51 9.206 14.850 12.801 1.00 0.31 O ATOM 805 CB PHE A 51 7.339 13.738 14.491 1.00 0.26 C ATOM 806 CG PHE A 51 6.295 12.683 14.783 1.00 0.24 C ATOM 807 CD1 PHE A 51 6.662 11.332 14.862 1.00 0.21 C ATOM 808 CD2 PHE A 51 4.956 13.051 14.968 1.00 0.25 C ATOM 809 CE1 PHE A 51 5.702 10.360 15.122 1.00 0.20 C ATOM 810 CE2 PHE A 51 3.994 12.071 15.228 1.00 0.24 C ATOM 811 CZ PHE A 51 4.371 10.723 15.304 1.00 0.22 C ATOM 0 H PHE A 51 9.345 13.770 16.177 1.00 0.24 H new ATOM 0 HA PHE A 51 8.528 12.093 13.870 1.00 0.25 H new ATOM 0 HB2 PHE A 51 7.374 14.467 15.301 1.00 0.26 H new ATOM 0 HB3 PHE A 51 7.080 14.282 13.583 1.00 0.26 H new ATOM 0 HD1 PHE A 51 7.694 11.045 14.720 1.00 0.21 H new ATOM 0 HD2 PHE A 51 4.668 14.090 14.910 1.00 0.25 H new ATOM 0 HE1 PHE A 51 5.990 9.321 15.183 1.00 0.20 H new ATOM 0 HE2 PHE A 51 2.961 12.352 15.370 1.00 0.24 H new ATOM 0 HZ PHE A 51 3.628 9.965 15.504 1.00 0.22 H new ATOM 821 N ASN A 52 10.858 13.477 13.427 1.00 0.29 N ATOM 822 CA ASN A 52 11.855 14.131 12.617 1.00 0.32 C ATOM 823 C ASN A 52 11.557 13.859 11.152 1.00 0.33 C ATOM 824 O ASN A 52 11.823 14.690 10.287 1.00 0.37 O ATOM 825 CB ASN A 52 13.211 13.578 12.967 1.00 0.33 C ATOM 826 CG ASN A 52 13.864 14.431 14.042 1.00 0.35 C ATOM 827 OD1 ASN A 52 13.754 15.657 14.042 1.00 0.54 O ATOM 828 ND2 ASN A 52 14.561 13.826 14.953 1.00 0.40 N ATOM 0 H ASN A 52 11.206 12.685 13.967 1.00 0.29 H new ATOM 0 HA ASN A 52 11.841 15.206 12.799 1.00 0.32 H new ATOM 0 HB2 ASN A 52 13.113 12.550 13.317 1.00 0.33 H new ATOM 0 HB3 ASN A 52 13.842 13.553 12.079 1.00 0.33 H new ATOM 0 HD21 ASN A 52 15.027 14.367 15.682 1.00 0.40 H new ATOM 0 HD22 ASN A 52 14.644 12.809 14.941 1.00 0.40 H new ATOM 835 N TRP A 53 10.978 12.696 10.881 1.00 0.31 N ATOM 836 CA TRP A 53 10.616 12.363 9.529 1.00 0.32 C ATOM 837 C TRP A 53 9.645 13.425 9.057 1.00 0.34 C ATOM 838 O TRP A 53 9.725 13.918 7.937 1.00 0.38 O ATOM 839 CB TRP A 53 9.980 10.975 9.472 1.00 0.29 C ATOM 840 CG TRP A 53 8.679 10.806 10.213 1.00 0.26 C ATOM 841 CD1 TRP A 53 8.516 10.739 11.551 1.00 0.23 C ATOM 842 CD2 TRP A 53 7.362 10.635 9.656 1.00 0.25 C ATOM 843 NE1 TRP A 53 7.180 10.517 11.834 1.00 0.22 N ATOM 844 CE2 TRP A 53 6.423 10.447 10.692 1.00 0.23 C ATOM 845 CE3 TRP A 53 6.921 10.627 8.347 1.00 0.27 C ATOM 846 CZ2 TRP A 53 5.073 10.249 10.411 1.00 0.24 C ATOM 847 CZ3 TRP A 53 5.574 10.438 8.060 1.00 0.27 C ATOM 848 CH2 TRP A 53 4.650 10.246 9.084 1.00 0.26 C ATOM 0 H TRP A 53 10.756 11.983 11.576 1.00 0.31 H new ATOM 0 HA TRP A 53 11.495 12.337 8.885 1.00 0.32 H new ATOM 0 HB2 TRP A 53 9.814 10.717 8.426 1.00 0.29 H new ATOM 0 HB3 TRP A 53 10.695 10.254 9.868 1.00 0.29 H new ATOM 0 HD1 TRP A 53 9.303 10.842 12.284 1.00 0.23 H new ATOM 0 HE1 TRP A 53 6.804 10.418 12.777 1.00 0.22 H new ATOM 0 HE3 TRP A 53 7.627 10.768 7.542 1.00 0.27 H new ATOM 0 HZ2 TRP A 53 4.364 10.100 11.212 1.00 0.24 H new ATOM 0 HZ3 TRP A 53 5.241 10.440 7.033 1.00 0.27 H new ATOM 0 HH2 TRP A 53 3.607 10.095 8.849 1.00 0.26 H new ATOM 859 N LEU A 54 8.759 13.792 9.961 1.00 0.31 N ATOM 860 CA LEU A 54 7.779 14.828 9.703 1.00 0.34 C ATOM 861 C LEU A 54 8.460 16.187 9.539 1.00 0.38 C ATOM 862 O LEU A 54 8.000 17.048 8.792 1.00 0.45 O ATOM 863 CB LEU A 54 6.833 14.863 10.883 1.00 0.32 C ATOM 864 CG LEU A 54 6.218 13.489 11.000 1.00 0.28 C ATOM 865 CD1 LEU A 54 5.195 13.452 12.101 1.00 0.27 C ATOM 866 CD2 LEU A 54 5.530 13.148 9.696 1.00 0.29 C ATOM 0 H LEU A 54 8.698 13.382 10.893 1.00 0.31 H new ATOM 0 HA LEU A 54 7.240 14.614 8.780 1.00 0.34 H new ATOM 0 HB2 LEU A 54 7.366 15.125 11.797 1.00 0.32 H new ATOM 0 HB3 LEU A 54 6.062 15.619 10.736 1.00 0.32 H new ATOM 0 HG LEU A 54 7.008 12.772 11.225 1.00 0.28 H new ATOM 0 HD11 LEU A 54 4.766 12.452 12.166 1.00 0.27 H new ATOM 0 HD12 LEU A 54 5.671 13.705 13.048 1.00 0.27 H new ATOM 0 HD13 LEU A 54 4.405 14.172 11.888 1.00 0.27 H new ATOM 0 HD21 LEU A 54 5.082 12.157 9.769 1.00 0.29 H new ATOM 0 HD22 LEU A 54 4.752 13.884 9.492 1.00 0.29 H new ATOM 0 HD23 LEU A 54 6.260 13.157 8.886 1.00 0.29 H new ATOM 878 N SER A 55 9.547 16.370 10.259 1.00 0.35 N ATOM 879 CA SER A 55 10.285 17.620 10.217 1.00 0.39 C ATOM 880 C SER A 55 11.118 17.748 8.931 1.00 0.48 C ATOM 881 O SER A 55 11.523 18.840 8.550 1.00 0.67 O ATOM 882 CB SER A 55 11.202 17.690 11.427 1.00 0.36 C ATOM 883 OG SER A 55 10.421 17.607 12.610 1.00 1.23 O ATOM 0 H SER A 55 9.942 15.667 10.884 1.00 0.35 H new ATOM 0 HA SER A 55 9.569 18.442 10.230 1.00 0.39 H new ATOM 0 HB2 SER A 55 11.926 16.876 11.397 1.00 0.36 H new ATOM 0 HB3 SER A 55 11.769 18.621 11.416 1.00 0.36 H new ATOM 0 HG SER A 55 10.075 16.696 12.710 1.00 1.23 H new ATOM 889 N SER A 56 11.392 16.636 8.278 1.00 0.39 N ATOM 890 CA SER A 56 12.193 16.666 7.063 1.00 0.48 C ATOM 891 C SER A 56 11.305 16.665 5.812 1.00 0.48 C ATOM 892 O SER A 56 11.801 16.527 4.696 1.00 0.68 O ATOM 893 CB SER A 56 13.110 15.450 7.041 1.00 0.55 C ATOM 894 OG SER A 56 13.817 15.374 8.271 1.00 1.39 O ATOM 0 H SER A 56 11.077 15.708 8.561 1.00 0.39 H new ATOM 0 HA SER A 56 12.783 17.583 7.058 1.00 0.48 H new ATOM 0 HB2 SER A 56 12.526 14.542 6.887 1.00 0.55 H new ATOM 0 HB3 SER A 56 13.811 15.523 6.209 1.00 0.55 H new ATOM 0 HG SER A 56 13.211 15.070 8.978 1.00 1.39 H new ATOM 900 N GLN A 57 9.998 16.794 5.996 1.00 0.49 N ATOM 901 CA GLN A 57 9.084 16.778 4.864 1.00 0.54 C ATOM 902 C GLN A 57 9.012 18.160 4.197 1.00 0.68 C ATOM 903 O GLN A 57 10.039 18.728 3.830 1.00 1.29 O ATOM 904 CB GLN A 57 7.722 16.311 5.354 1.00 0.66 C ATOM 905 CG GLN A 57 7.958 15.168 6.326 1.00 0.70 C ATOM 906 CD GLN A 57 6.660 14.470 6.687 1.00 0.47 C ATOM 907 OE1 GLN A 57 5.607 15.089 6.825 1.00 1.00 O ATOM 908 NE2 GLN A 57 6.716 13.186 6.875 1.00 0.34 N ATOM 0 H GLN A 57 9.552 16.909 6.906 1.00 0.49 H new ATOM 0 HA GLN A 57 9.444 16.087 4.102 1.00 0.54 H new ATOM 0 HB2 GLN A 57 7.189 17.127 5.843 1.00 0.66 H new ATOM 0 HB3 GLN A 57 7.105 15.983 4.518 1.00 0.66 H new ATOM 0 HG2 GLN A 57 8.648 14.449 5.884 1.00 0.70 H new ATOM 0 HG3 GLN A 57 8.431 15.550 7.231 1.00 0.70 H new ATOM 0 HE21 GLN A 57 7.600 12.691 6.755 1.00 0.34 H new ATOM 0 HE22 GLN A 57 5.876 12.673 7.142 1.00 0.34 H new ATOM 917 N ARG A 58 7.804 18.692 4.030 1.00 0.92 N ATOM 918 CA ARG A 58 7.638 19.992 3.396 1.00 1.20 C ATOM 919 C ARG A 58 8.481 21.055 4.107 1.00 1.57 C ATOM 920 O ARG A 58 8.925 22.019 3.487 1.00 2.09 O ATOM 921 CB ARG A 58 6.168 20.398 3.441 1.00 1.84 C ATOM 922 CG ARG A 58 5.959 21.663 2.616 1.00 2.58 C ATOM 923 CD ARG A 58 4.547 22.193 2.845 1.00 3.37 C ATOM 924 NE ARG A 58 4.305 23.346 1.989 1.00 4.01 N ATOM 925 CZ ARG A 58 3.190 24.064 2.091 1.00 4.77 C ATOM 926 NH1 ARG A 58 2.280 23.752 2.980 1.00 5.05 N ATOM 927 NH2 ARG A 58 3.003 25.090 1.300 1.00 5.55 N ATOM 0 H ARG A 58 6.935 18.246 4.323 1.00 0.92 H new ATOM 0 HA ARG A 58 7.971 19.917 2.361 1.00 1.20 H new ATOM 0 HB2 ARG A 58 5.546 19.592 3.052 1.00 1.84 H new ATOM 0 HB3 ARG A 58 5.860 20.570 4.472 1.00 1.84 H new ATOM 0 HG2 ARG A 58 6.692 22.419 2.897 1.00 2.58 H new ATOM 0 HG3 ARG A 58 6.111 21.449 1.558 1.00 2.58 H new ATOM 0 HD2 ARG A 58 3.817 21.412 2.632 1.00 3.37 H new ATOM 0 HD3 ARG A 58 4.419 22.472 3.891 1.00 3.37 H new ATOM 0 HE ARG A 58 5.006 23.609 1.296 1.00 4.01 H new ATOM 0 HH11 ARG A 58 2.424 22.954 3.599 1.00 5.05 H new ATOM 0 HH12 ARG A 58 1.427 24.307 3.053 1.00 5.05 H new ATOM 0 HH21 ARG A 58 3.711 25.336 0.608 1.00 5.55 H new ATOM 0 HH22 ARG A 58 2.149 25.643 1.375 1.00 5.55 H new ATOM 941 N SER A 59 8.698 20.881 5.405 1.00 1.66 N ATOM 942 CA SER A 59 9.484 21.839 6.168 1.00 2.49 C ATOM 943 C SER A 59 9.781 21.270 7.552 1.00 2.51 C ATOM 944 O SER A 59 9.279 20.207 7.914 1.00 2.90 O ATOM 945 CB SER A 59 8.714 23.150 6.316 1.00 3.22 C ATOM 946 OG SER A 59 8.952 23.982 5.187 1.00 3.80 O ATOM 0 H SER A 59 8.344 20.092 5.946 1.00 1.66 H new ATOM 0 HA SER A 59 10.419 22.029 5.640 1.00 2.49 H new ATOM 0 HB2 SER A 59 7.647 22.947 6.410 1.00 3.22 H new ATOM 0 HB3 SER A 59 9.023 23.662 7.227 1.00 3.22 H new ATOM 0 HG SER A 59 9.254 23.433 4.434 1.00 3.80 H new ATOM 952 N LYS A 60 10.591 21.985 8.319 1.00 2.74 N ATOM 953 CA LYS A 60 10.940 21.547 9.662 1.00 3.14 C ATOM 954 C LYS A 60 9.736 21.675 10.583 1.00 3.33 C ATOM 955 O LYS A 60 9.650 22.601 11.388 1.00 4.03 O ATOM 956 CB LYS A 60 12.087 22.386 10.191 1.00 3.67 C ATOM 957 CG LYS A 60 13.303 22.160 9.308 1.00 4.22 C ATOM 958 CD LYS A 60 13.994 20.861 9.709 1.00 5.00 C ATOM 959 CE LYS A 60 15.201 20.629 8.805 1.00 5.76 C ATOM 960 NZ LYS A 60 15.870 19.351 9.182 1.00 6.56 N ATOM 0 H LYS A 60 11.017 22.867 8.036 1.00 2.74 H new ATOM 0 HA LYS A 60 11.246 20.501 9.627 1.00 3.14 H new ATOM 0 HB2 LYS A 60 11.813 23.441 10.194 1.00 3.67 H new ATOM 0 HB3 LYS A 60 12.312 22.112 11.222 1.00 3.67 H new ATOM 0 HG2 LYS A 60 13.001 22.115 8.262 1.00 4.22 H new ATOM 0 HG3 LYS A 60 13.995 22.996 9.404 1.00 4.22 H new ATOM 0 HD2 LYS A 60 14.310 20.911 10.751 1.00 5.00 H new ATOM 0 HD3 LYS A 60 13.298 20.026 9.627 1.00 5.00 H new ATOM 0 HE2 LYS A 60 14.885 20.592 7.762 1.00 5.76 H new ATOM 0 HE3 LYS A 60 15.902 21.459 8.897 1.00 5.76 H new ATOM 0 HZ1 LYS A 60 16.692 19.194 8.565 1.00 6.56 H new ATOM 0 HZ2 LYS A 60 16.185 19.403 10.172 1.00 6.56 H new ATOM 0 HZ3 LYS A 60 15.200 18.563 9.073 1.00 6.56 H new ATOM 974 N ASN A 61 8.817 20.736 10.448 1.00 6.72 N ATOM 975 CA ASN A 61 7.608 20.731 11.259 1.00 8.84 C ATOM 976 C ASN A 61 7.959 20.937 12.737 1.00 7.06 C ATOM 977 O ASN A 61 7.335 21.744 13.424 1.00 5.34 O ATOM 978 CB ASN A 61 6.871 19.408 11.063 1.00 10.05 C ATOM 979 CG ASN A 61 6.634 18.725 12.408 1.00 10.23 C ATOM 980 OD1 ASN A 61 5.727 19.083 13.158 1.00 11.23 O ATOM 981 ND2 ASN A 61 7.432 17.753 12.745 1.00 9.15 N ATOM 0 H ASN A 61 8.883 19.965 9.784 1.00 6.72 H new ATOM 0 HA ASN A 61 6.960 21.550 10.946 1.00 8.84 H new ATOM 0 HB2 ASN A 61 5.918 19.586 10.566 1.00 10.05 H new ATOM 0 HB3 ASN A 61 7.452 18.754 10.413 1.00 10.05 H new ATOM 0 HD21 ASN A 61 7.309 17.279 13.640 1.00 9.15 H new ATOM 0 HD22 ASN A 61 8.180 17.466 12.114 1.00 9.15 H new ATOM 988 N SER A 62 8.967 20.222 13.217 1.00 7.04 N ATOM 989 CA SER A 62 9.388 20.362 14.602 1.00 4.87 C ATOM 990 C SER A 62 10.769 21.015 14.657 1.00 0.00 C ATOM 991 O SER A 62 11.794 20.337 14.597 1.00 0.00 O ATOM 992 CB SER A 62 9.437 18.994 15.273 1.00 8.79 C ATOM 993 OG SER A 62 8.125 18.454 15.343 1.00 10.72 O ATOM 0 H SER A 62 9.503 19.546 12.673 1.00 7.04 H new ATOM 0 HA SER A 62 8.671 20.990 15.130 1.00 4.87 H new ATOM 0 HB2 SER A 62 10.088 18.324 14.711 1.00 8.79 H new ATOM 0 HB3 SER A 62 9.859 19.083 16.274 1.00 8.79 H new ATOM 0 HG SER A 62 8.156 17.574 15.773 1.00 10.72 H new ATOM 999 N SER A 63 10.785 22.334 14.762 1.00 0.00 N ATOM 1000 CA SER A 63 12.038 23.067 14.817 1.00 0.00 C ATOM 1001 C SER A 63 12.013 24.069 15.973 1.00 0.00 C ATOM 1002 O SER A 63 12.885 23.986 16.822 1.00 0.00 O ATOM 1003 CB SER A 63 12.252 23.800 13.498 1.00 0.00 C ATOM 1004 OG SER A 63 11.022 24.370 13.069 1.00 0.00 O ATOM 1005 OXT SER A 63 11.122 24.902 15.992 1.00 0.00 O ATOM 0 H SER A 63 9.949 22.916 14.811 1.00 0.00 H new ATOM 0 HA SER A 63 12.857 22.367 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.004 24.580 13.621 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.629 23.110 12.743 1.00 0.00 H new ATOM 0 HG SER A 63 10.549 23.733 12.494 1.00 0.00 H new TER 1011 SER A 63 HETATM 1012 ZN ZN A 64 7.568 4.057 16.935 1.00 0.57 ZN HETATM 1013 ZN ZN A 65 8.761 5.913 19.129 1.00 1.02 ZN CONECT 211 1012 1013 CONECT 247 1012 CONECT 380 1012 CONECT 619 1012 1013 CONECT 654 1013 CONECT 782 1013 CONECT 1012 211 247 380 619 CONECT 1013 211 619 654 782 END