USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) HEADER PHOTOSYSTEM I 13-APR-94 1PSF TITLE THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF PSAE FROM THE TITLE 2 CYANOBACTERIUM SYNECHOCOCCUS SP. STRAIN PCC 7002: A PHOTOSYSTEM I TITLE 3 PROTEIN THAT SHOWS STRUCTURAL HOMOLOGY WITH SH3 DOMAINS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOTOSYSTEM I ACCESSORY PROTEIN E; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; SOURCE 3 ORGANISM_TAXID: 32049; SOURCE 4 STRAIN: PCC 7002 KEYWDS PHOTOSYSTEM I EXPDTA SOLUTION NMR AUTHOR C.J.FALZONE,Y.-H.KAO,J.ZHAO,D.A.BRYANT,J.T.J.LECOMTE REVDAT 4 13-JUL-11 1PSF 1 VERSN REVDAT 3 24-FEB-09 1PSF 1 VERSN REVDAT 2 01-APR-03 1PSF 1 JRNL REVDAT 1 20-APR-95 1PSF 0 JRNL AUTH C.J.FALZONE,Y.H.KAO,J.ZHAO,D.A.BRYANT,J.T.LECOMTE JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF PSAE FROM THE JRNL TITL 2 CYANOBACTERIUM SYNECHOCOCCUS SP. STRAIN PCC 7002, A JRNL TITL 3 PHOTOSYSTEM I PROTEIN THAT SHOWS STRUCTURAL HOMOLOGY WITH JRNL TITL 4 SH3 DOMAINS. JRNL REF BIOCHEMISTRY V. 33 6052 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 8193119 JRNL DOI 10.1021/BI00186A004 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.J.FALZONE,Y.-H.KAO,J.ZHAO,K.L.MACLAUGHLIN,D.A.BRYANT, REMARK 1 AUTH 2 J.T.J.LECOMTE REMARK 1 TITL 1H AND 15N NMR ASSIGNMENTS OF PSAE, A PHOTOSYSTEM I SUBUNIT REMARK 1 TITL 2 FROM THE CYANOBACTERIUM SYNECHOCOCCUS SP. STRAIN PCC 7002 REMARK 1 REF BIOCHEMISTRY V. 33 6043 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PSF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 ILE A 2 97.53 -62.76 REMARK 500 LYS A 29 39.38 -97.06 REMARK 500 SER A 49 125.35 -176.53 REMARK 500 LEU A 55 -76.25 -115.92 REMARK 500 VAL A 67 106.81 -58.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 4 0.28 SIDE CHAIN REMARK 500 ARG A 12 0.27 SIDE CHAIN REMARK 500 ARG A 39 0.24 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PSE RELATED DB: PDB DBREF 1PSF A 1 69 UNP P31969 PSAE_SYNP2 1 69 SEQRES 1 A 69 ALA ILE GLU ARG GLY SER LYS VAL LYS ILE LEU ARG LYS SEQRES 2 A 69 GLU SER TYR TRP TYR GLY ASP VAL GLY THR VAL ALA SER SEQRES 3 A 69 ILE ASP LYS SER GLY ILE ILE TYR PRO VAL ILE VAL ARG SEQRES 4 A 69 PHE ASN LYS VAL ASN TYR ASN GLY PHE SER GLY SER ALA SEQRES 5 A 69 GLY GLY LEU ASN THR ASN ASN PHE ALA GLU HIS GLU LEU SEQRES 6 A 69 GLU VAL VAL GLY SHEET 1 A 5 THR A 57 PHE A 60 0 SHEET 2 A 5 VAL A 36 ARG A 39 -1 N VAL A 36 O PHE A 60 SHEET 3 A 5 VAL A 21 SER A 26 -1 N THR A 23 O ARG A 39 SHEET 4 A 5 LYS A 7 ILE A 10 -1 N VAL A 8 O GLY A 22 SHEET 5 A 5 LEU A 65 VAL A 67 -1 O GLU A 66 N LYS A 9 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 Single : A 1 ALA N :NH3+ 129:sc= 0.0436 (180deg=0) USER MOD Single : A 6 SER OG : rot 160:sc= -0.0948 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -154:sc= 0.427 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.92) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.152 K(o=0.15,f=-2.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.31) USER MOD Single : A 49 SER OG : rot 61:sc= 1.22 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.16! C(o=-3.2!,f=-8.1!) USER MOD Single : A 57 THR OG1 : rot 26:sc= 0.33 USER MOD Single : A 58 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.3!) USER MOD Single : A 59 ASN : amide:sc= -3.32 K(o=-3.3,f=-5.5!) USER MOD Single : A 63 HIS : no HD1:sc= -2.26 X(o=-2.3,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.399 2.819 2.809 1.00 2.12 N ATOM 2 CA ALA A 1 14.767 1.502 2.513 1.00 1.66 C ATOM 3 C ALA A 1 13.397 1.429 3.189 1.00 1.38 C ATOM 4 O ALA A 1 13.182 2.010 4.236 1.00 2.09 O ATOM 5 CB ALA A 1 15.658 0.378 3.046 1.00 2.13 C ATOM 0 H1 ALA A 1 16.363 2.668 3.169 1.00 2.12 H new ATOM 0 H2 ALA A 1 15.439 3.388 1.940 1.00 2.12 H new ATOM 0 H3 ALA A 1 14.837 3.321 3.526 1.00 2.12 H new ATOM 0 HA ALA A 1 14.647 1.392 1.435 1.00 1.66 H new ATOM 0 HB1 ALA A 1 15.197 -0.586 2.830 1.00 2.13 H new ATOM 0 HB2 ALA A 1 16.635 0.429 2.565 1.00 2.13 H new ATOM 0 HB3 ALA A 1 15.778 0.489 4.124 1.00 2.13 H new ATOM 13 N ILE A 2 12.471 0.720 2.596 1.00 0.99 N ATOM 14 CA ILE A 2 11.109 0.602 3.194 1.00 0.63 C ATOM 15 C ILE A 2 11.208 -0.092 4.555 1.00 0.58 C ATOM 16 O ILE A 2 11.260 -1.305 4.639 1.00 0.74 O ATOM 17 CB ILE A 2 10.211 -0.218 2.262 1.00 0.67 C ATOM 18 CG1 ILE A 2 10.219 0.411 0.856 1.00 0.96 C ATOM 19 CG2 ILE A 2 8.781 -0.229 2.813 1.00 1.04 C ATOM 20 CD1 ILE A 2 10.926 -0.525 -0.127 1.00 0.86 C ATOM 0 H ILE A 2 12.601 0.216 1.719 1.00 0.99 H new ATOM 0 HA ILE A 2 10.681 1.596 3.325 1.00 0.63 H new ATOM 0 HB ILE A 2 10.584 -1.240 2.202 1.00 0.67 H new ATOM 0 HG12 ILE A 2 9.197 0.596 0.525 1.00 0.96 H new ATOM 0 HG13 ILE A 2 10.726 1.376 0.882 1.00 0.96 H new ATOM 0 HG21 ILE A 2 8.141 -0.812 2.151 1.00 1.04 H new ATOM 0 HG22 ILE A 2 8.778 -0.676 3.807 1.00 1.04 H new ATOM 0 HG23 ILE A 2 8.406 0.793 2.873 1.00 1.04 H new ATOM 0 HD11 ILE A 2 10.929 -0.075 -1.120 1.00 0.86 H new ATOM 0 HD12 ILE A 2 11.953 -0.688 0.200 1.00 0.86 H new ATOM 0 HD13 ILE A 2 10.401 -1.479 -0.163 1.00 0.86 H new ATOM 32 N GLU A 3 11.232 0.671 5.618 1.00 0.65 N ATOM 33 CA GLU A 3 11.327 0.066 6.980 1.00 0.80 C ATOM 34 C GLU A 3 9.946 -0.426 7.415 1.00 0.62 C ATOM 35 O GLU A 3 8.983 -0.329 6.677 1.00 0.58 O ATOM 36 CB GLU A 3 11.830 1.118 7.971 1.00 1.14 C ATOM 37 CG GLU A 3 13.346 1.271 7.829 1.00 1.35 C ATOM 38 CD GLU A 3 13.949 1.649 9.182 1.00 1.90 C ATOM 39 OE1 GLU A 3 13.441 2.571 9.799 1.00 2.27 O ATOM 40 OE2 GLU A 3 14.911 1.011 9.578 1.00 2.57 O ATOM 0 H GLU A 3 11.190 1.690 5.601 1.00 0.65 H new ATOM 0 HA GLU A 3 12.022 -0.774 6.958 1.00 0.80 H new ATOM 0 HB2 GLU A 3 11.339 2.073 7.784 1.00 1.14 H new ATOM 0 HB3 GLU A 3 11.578 0.823 8.990 1.00 1.14 H new ATOM 0 HG2 GLU A 3 13.784 0.339 7.471 1.00 1.35 H new ATOM 0 HG3 GLU A 3 13.577 2.037 7.089 1.00 1.35 H new ATOM 47 N ARG A 4 9.844 -0.954 8.608 1.00 0.83 N ATOM 48 CA ARG A 4 8.528 -1.457 9.101 1.00 0.74 C ATOM 49 C ARG A 4 7.787 -0.329 9.822 1.00 0.55 C ATOM 50 O ARG A 4 8.365 0.410 10.598 1.00 0.76 O ATOM 51 CB ARG A 4 8.757 -2.618 10.071 1.00 1.07 C ATOM 52 CG ARG A 4 7.553 -3.561 10.030 1.00 1.07 C ATOM 53 CD ARG A 4 7.664 -4.580 11.167 1.00 1.71 C ATOM 54 NE ARG A 4 8.331 -5.814 10.664 1.00 2.31 N ATOM 55 CZ ARG A 4 8.400 -6.873 11.423 1.00 2.83 C ATOM 56 NH1 ARG A 4 7.307 -7.477 11.801 1.00 3.40 N ATOM 57 NH2 ARG A 4 9.562 -7.327 11.804 1.00 3.30 N ATOM 0 H ARG A 4 10.619 -1.058 9.263 1.00 0.83 H new ATOM 0 HA ARG A 4 7.931 -1.801 8.256 1.00 0.74 H new ATOM 0 HB2 ARG A 4 9.665 -3.158 9.801 1.00 1.07 H new ATOM 0 HB3 ARG A 4 8.901 -2.238 11.082 1.00 1.07 H new ATOM 0 HG2 ARG A 4 6.628 -2.992 10.126 1.00 1.07 H new ATOM 0 HG3 ARG A 4 7.512 -4.075 9.070 1.00 1.07 H new ATOM 0 HD2 ARG A 4 8.234 -4.157 11.994 1.00 1.71 H new ATOM 0 HD3 ARG A 4 6.673 -4.820 11.552 1.00 1.71 H new ATOM 0 HE ARG A 4 8.733 -5.831 9.727 1.00 2.31 H new ATOM 0 HH11 ARG A 4 6.399 -7.121 11.503 1.00 3.40 H new ATOM 0 HH12 ARG A 4 7.361 -8.305 12.394 1.00 3.40 H new ATOM 0 HH21 ARG A 4 10.416 -6.854 11.509 1.00 3.30 H new ATOM 0 HH22 ARG A 4 9.616 -8.155 12.397 1.00 3.30 H new ATOM 71 N GLY A 5 6.511 -0.194 9.570 1.00 0.43 N ATOM 72 CA GLY A 5 5.715 0.882 10.233 1.00 0.53 C ATOM 73 C GLY A 5 6.280 2.260 9.868 1.00 0.42 C ATOM 74 O GLY A 5 6.056 3.231 10.566 1.00 0.41 O ATOM 0 H GLY A 5 5.983 -0.787 8.929 1.00 0.43 H new ATOM 0 HA2 GLY A 5 4.672 0.815 9.924 1.00 0.53 H new ATOM 0 HA3 GLY A 5 5.737 0.747 11.314 1.00 0.53 H new ATOM 78 N SER A 6 7.009 2.354 8.780 1.00 0.38 N ATOM 79 CA SER A 6 7.584 3.670 8.371 1.00 0.30 C ATOM 80 C SER A 6 6.598 4.394 7.452 1.00 0.27 C ATOM 81 O SER A 6 5.722 3.784 6.867 1.00 0.45 O ATOM 82 CB SER A 6 8.901 3.442 7.629 1.00 0.29 C ATOM 83 OG SER A 6 9.357 4.677 7.093 1.00 0.44 O ATOM 0 H SER A 6 7.229 1.575 8.160 1.00 0.38 H new ATOM 0 HA SER A 6 7.767 4.278 9.257 1.00 0.30 H new ATOM 0 HB2 SER A 6 9.647 3.029 8.308 1.00 0.29 H new ATOM 0 HB3 SER A 6 8.760 2.715 6.829 1.00 0.29 H new ATOM 0 HG SER A 6 10.317 4.618 6.906 1.00 0.44 H new ATOM 89 N LYS A 7 6.738 5.688 7.318 1.00 0.17 N ATOM 90 CA LYS A 7 5.816 6.458 6.433 1.00 0.19 C ATOM 91 C LYS A 7 6.306 6.360 4.987 1.00 0.16 C ATOM 92 O LYS A 7 7.390 6.809 4.662 1.00 0.23 O ATOM 93 CB LYS A 7 5.795 7.925 6.868 1.00 0.24 C ATOM 94 CG LYS A 7 5.140 8.040 8.245 1.00 0.41 C ATOM 95 CD LYS A 7 4.413 9.381 8.355 1.00 1.10 C ATOM 96 CE LYS A 7 3.184 9.225 9.253 1.00 1.47 C ATOM 97 NZ LYS A 7 2.888 10.525 9.919 1.00 2.03 N ATOM 0 H LYS A 7 7.453 6.245 7.785 1.00 0.17 H new ATOM 0 HA LYS A 7 4.810 6.046 6.507 1.00 0.19 H new ATOM 0 HB2 LYS A 7 6.811 8.320 6.903 1.00 0.24 H new ATOM 0 HB3 LYS A 7 5.245 8.523 6.141 1.00 0.24 H new ATOM 0 HG2 LYS A 7 4.437 7.220 8.395 1.00 0.41 H new ATOM 0 HG3 LYS A 7 5.895 7.959 9.027 1.00 0.41 H new ATOM 0 HD2 LYS A 7 5.083 10.137 8.766 1.00 1.10 H new ATOM 0 HD3 LYS A 7 4.112 9.725 7.366 1.00 1.10 H new ATOM 0 HE2 LYS A 7 2.327 8.903 8.662 1.00 1.47 H new ATOM 0 HE3 LYS A 7 3.363 8.453 10.001 1.00 1.47 H new ATOM 0 HZ1 LYS A 7 2.053 10.420 10.530 1.00 2.03 H new ATOM 0 HZ2 LYS A 7 3.704 10.814 10.495 1.00 2.03 H new ATOM 0 HZ3 LYS A 7 2.700 11.250 9.197 1.00 2.03 H new ATOM 111 N VAL A 8 5.519 5.774 4.120 1.00 0.11 N ATOM 112 CA VAL A 8 5.942 5.643 2.693 1.00 0.09 C ATOM 113 C VAL A 8 4.905 6.299 1.780 1.00 0.09 C ATOM 114 O VAL A 8 3.745 5.936 1.781 1.00 0.12 O ATOM 115 CB VAL A 8 6.089 4.158 2.329 1.00 0.10 C ATOM 116 CG1 VAL A 8 7.150 3.522 3.231 1.00 0.13 C ATOM 117 CG2 VAL A 8 4.749 3.428 2.513 1.00 0.13 C ATOM 0 H VAL A 8 4.603 5.381 4.339 1.00 0.11 H new ATOM 0 HA VAL A 8 6.902 6.142 2.559 1.00 0.09 H new ATOM 0 HB VAL A 8 6.392 4.074 1.285 1.00 0.10 H new ATOM 0 HG11 VAL A 8 7.259 2.468 2.977 1.00 0.13 H new ATOM 0 HG12 VAL A 8 8.103 4.030 3.086 1.00 0.13 H new ATOM 0 HG13 VAL A 8 6.845 3.615 4.273 1.00 0.13 H new ATOM 0 HG21 VAL A 8 4.868 2.377 2.251 1.00 0.13 H new ATOM 0 HG22 VAL A 8 4.430 3.509 3.552 1.00 0.13 H new ATOM 0 HG23 VAL A 8 3.997 3.880 1.866 1.00 0.13 H new ATOM 127 N LYS A 9 5.325 7.257 0.993 1.00 0.11 N ATOM 128 CA LYS A 9 4.378 7.935 0.066 1.00 0.12 C ATOM 129 C LYS A 9 4.169 7.042 -1.155 1.00 0.11 C ATOM 130 O LYS A 9 5.096 6.755 -1.887 1.00 0.17 O ATOM 131 CB LYS A 9 4.962 9.279 -0.378 1.00 0.16 C ATOM 132 CG LYS A 9 3.900 10.070 -1.147 1.00 0.21 C ATOM 133 CD LYS A 9 4.531 11.324 -1.770 1.00 0.36 C ATOM 134 CE LYS A 9 4.689 11.142 -3.286 1.00 0.40 C ATOM 135 NZ LYS A 9 4.055 12.294 -3.990 1.00 0.90 N ATOM 0 H LYS A 9 6.286 7.597 0.955 1.00 0.11 H new ATOM 0 HA LYS A 9 3.427 8.110 0.570 1.00 0.12 H new ATOM 0 HB2 LYS A 9 5.295 9.847 0.490 1.00 0.16 H new ATOM 0 HB3 LYS A 9 5.837 9.117 -1.008 1.00 0.16 H new ATOM 0 HG2 LYS A 9 3.463 9.446 -1.927 1.00 0.21 H new ATOM 0 HG3 LYS A 9 3.090 10.355 -0.476 1.00 0.21 H new ATOM 0 HD2 LYS A 9 3.908 12.194 -1.564 1.00 0.36 H new ATOM 0 HD3 LYS A 9 5.504 11.514 -1.316 1.00 0.36 H new ATOM 0 HE2 LYS A 9 5.745 11.078 -3.548 1.00 0.40 H new ATOM 0 HE3 LYS A 9 4.225 10.208 -3.602 1.00 0.40 H new ATOM 0 HZ1 LYS A 9 4.160 12.174 -5.018 1.00 0.90 H new ATOM 0 HZ2 LYS A 9 3.044 12.335 -3.748 1.00 0.90 H new ATOM 0 HZ3 LYS A 9 4.518 13.178 -3.696 1.00 0.90 H new ATOM 149 N ILE A 10 2.962 6.592 -1.369 1.00 0.11 N ATOM 150 CA ILE A 10 2.685 5.706 -2.533 1.00 0.10 C ATOM 151 C ILE A 10 2.932 6.473 -3.833 1.00 0.12 C ATOM 152 O ILE A 10 2.465 7.583 -4.003 1.00 0.12 O ATOM 153 CB ILE A 10 1.224 5.240 -2.496 1.00 0.10 C ATOM 154 CG1 ILE A 10 0.848 4.699 -1.102 1.00 0.10 C ATOM 155 CG2 ILE A 10 1.027 4.137 -3.532 1.00 0.11 C ATOM 156 CD1 ILE A 10 1.869 3.658 -0.614 1.00 0.10 C ATOM 0 H ILE A 10 2.153 6.802 -0.784 1.00 0.11 H new ATOM 0 HA ILE A 10 3.346 4.840 -2.485 1.00 0.10 H new ATOM 0 HB ILE A 10 0.582 6.093 -2.719 1.00 0.10 H new ATOM 0 HG12 ILE A 10 0.798 5.523 -0.391 1.00 0.10 H new ATOM 0 HG13 ILE A 10 -0.144 4.249 -1.139 1.00 0.10 H new ATOM 0 HG21 ILE A 10 -0.009 3.800 -3.512 1.00 0.11 H new ATOM 0 HG22 ILE A 10 1.264 4.523 -4.524 1.00 0.11 H new ATOM 0 HG23 ILE A 10 1.685 3.299 -3.301 1.00 0.11 H new ATOM 0 HD11 ILE A 10 1.576 3.295 0.371 1.00 0.10 H new ATOM 0 HD12 ILE A 10 1.900 2.823 -1.314 1.00 0.10 H new ATOM 0 HD13 ILE A 10 2.856 4.117 -0.553 1.00 0.10 H new ATOM 168 N LEU A 11 3.656 5.885 -4.756 1.00 0.14 N ATOM 169 CA LEU A 11 3.924 6.579 -6.050 1.00 0.17 C ATOM 170 C LEU A 11 3.358 5.751 -7.205 1.00 0.19 C ATOM 171 O LEU A 11 3.880 5.765 -8.305 1.00 0.30 O ATOM 172 CB LEU A 11 5.437 6.762 -6.249 1.00 0.20 C ATOM 173 CG LEU A 11 5.888 8.153 -5.773 1.00 0.19 C ATOM 174 CD1 LEU A 11 5.115 9.253 -6.514 1.00 0.25 C ATOM 175 CD2 LEU A 11 5.639 8.280 -4.270 1.00 0.23 C ATOM 0 H LEU A 11 4.071 4.957 -4.667 1.00 0.14 H new ATOM 0 HA LEU A 11 3.444 7.558 -6.031 1.00 0.17 H new ATOM 0 HB2 LEU A 11 5.976 5.992 -5.698 1.00 0.20 H new ATOM 0 HB3 LEU A 11 5.688 6.635 -7.302 1.00 0.20 H new ATOM 0 HG LEU A 11 6.951 8.269 -5.984 1.00 0.19 H new ATOM 0 HD11 LEU A 11 5.448 10.230 -6.164 1.00 0.25 H new ATOM 0 HD12 LEU A 11 5.300 9.169 -7.585 1.00 0.25 H new ATOM 0 HD13 LEU A 11 4.048 9.142 -6.320 1.00 0.25 H new ATOM 0 HD21 LEU A 11 5.958 9.265 -3.930 1.00 0.23 H new ATOM 0 HD22 LEU A 11 4.576 8.152 -4.065 1.00 0.23 H new ATOM 0 HD23 LEU A 11 6.205 7.513 -3.741 1.00 0.23 H new ATOM 187 N ARG A 12 2.291 5.035 -6.966 1.00 0.21 N ATOM 188 CA ARG A 12 1.678 4.206 -8.043 1.00 0.25 C ATOM 189 C ARG A 12 0.628 5.039 -8.779 1.00 0.28 C ATOM 190 O ARG A 12 -0.322 5.509 -8.188 1.00 0.31 O ATOM 191 CB ARG A 12 1.012 2.976 -7.420 1.00 0.28 C ATOM 192 CG ARG A 12 1.162 1.780 -8.362 1.00 0.59 C ATOM 193 CD ARG A 12 0.249 1.968 -9.574 1.00 0.49 C ATOM 194 NE ARG A 12 0.444 0.836 -10.523 1.00 0.63 N ATOM 195 CZ ARG A 12 -0.560 0.397 -11.232 1.00 1.22 C ATOM 196 NH1 ARG A 12 -1.621 -0.074 -10.638 1.00 1.96 N ATOM 197 NH2 ARG A 12 -0.503 0.432 -12.536 1.00 2.09 N ATOM 0 H ARG A 12 1.816 4.989 -6.065 1.00 0.21 H new ATOM 0 HA ARG A 12 2.447 3.884 -8.745 1.00 0.25 H new ATOM 0 HB2 ARG A 12 1.468 2.752 -6.456 1.00 0.28 H new ATOM 0 HB3 ARG A 12 -0.043 3.176 -7.235 1.00 0.28 H new ATOM 0 HG2 ARG A 12 2.199 1.686 -8.685 1.00 0.59 H new ATOM 0 HG3 ARG A 12 0.906 0.858 -7.840 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -0.792 2.014 -9.255 1.00 0.49 H new ATOM 0 HD3 ARG A 12 0.473 2.913 -10.068 1.00 0.49 H new ATOM 0 HE ARG A 12 1.363 0.404 -10.619 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -1.666 -0.099 -9.619 1.00 1.96 H new ATOM 0 HH12 ARG A 12 -2.406 -0.417 -11.192 1.00 1.96 H new ATOM 0 HH21 ARG A 12 0.326 0.802 -13.000 1.00 2.09 H new ATOM 0 HH22 ARG A 12 -1.288 0.089 -13.090 1.00 2.09 H new ATOM 211 N LYS A 13 0.794 5.226 -10.065 1.00 0.31 N ATOM 212 CA LYS A 13 -0.193 6.035 -10.845 1.00 0.37 C ATOM 213 C LYS A 13 -1.591 5.419 -10.718 1.00 0.42 C ATOM 214 O LYS A 13 -2.505 6.041 -10.211 1.00 0.47 O ATOM 215 CB LYS A 13 0.222 6.055 -12.317 1.00 0.41 C ATOM 216 CG LYS A 13 1.585 6.740 -12.458 1.00 0.42 C ATOM 217 CD LYS A 13 2.402 6.036 -13.544 1.00 1.26 C ATOM 218 CE LYS A 13 3.257 7.065 -14.286 1.00 1.70 C ATOM 219 NZ LYS A 13 4.361 6.367 -15.005 1.00 2.38 N ATOM 0 H LYS A 13 1.572 4.853 -10.609 1.00 0.31 H new ATOM 0 HA LYS A 13 -0.214 7.052 -10.453 1.00 0.37 H new ATOM 0 HB2 LYS A 13 0.273 5.038 -12.705 1.00 0.41 H new ATOM 0 HB3 LYS A 13 -0.525 6.584 -12.909 1.00 0.41 H new ATOM 0 HG2 LYS A 13 1.451 7.791 -12.713 1.00 0.42 H new ATOM 0 HG3 LYS A 13 2.119 6.709 -11.509 1.00 0.42 H new ATOM 0 HD2 LYS A 13 3.039 5.272 -13.097 1.00 1.26 H new ATOM 0 HD3 LYS A 13 1.737 5.528 -14.243 1.00 1.26 H new ATOM 0 HE2 LYS A 13 2.643 7.622 -14.993 1.00 1.70 H new ATOM 0 HE3 LYS A 13 3.667 7.789 -13.582 1.00 1.70 H new ATOM 0 HZ1 LYS A 13 4.943 7.066 -15.510 1.00 2.38 H new ATOM 0 HZ2 LYS A 13 4.952 5.854 -14.320 1.00 2.38 H new ATOM 0 HZ3 LYS A 13 3.959 5.693 -15.688 1.00 2.38 H new ATOM 233 N GLU A 14 -1.757 4.204 -11.173 1.00 0.49 N ATOM 234 CA GLU A 14 -3.091 3.542 -11.081 1.00 0.57 C ATOM 235 C GLU A 14 -3.259 2.930 -9.688 1.00 0.52 C ATOM 236 O GLU A 14 -3.085 1.740 -9.498 1.00 0.54 O ATOM 237 CB GLU A 14 -3.190 2.441 -12.141 1.00 0.66 C ATOM 238 CG GLU A 14 -3.760 3.028 -13.433 1.00 0.73 C ATOM 239 CD GLU A 14 -3.629 2.003 -14.561 1.00 1.13 C ATOM 240 OE1 GLU A 14 -2.578 1.965 -15.180 1.00 1.64 O ATOM 241 OE2 GLU A 14 -4.580 1.273 -14.787 1.00 1.89 O ATOM 0 H GLU A 14 -1.024 3.641 -11.605 1.00 0.49 H new ATOM 0 HA GLU A 14 -3.876 4.279 -11.251 1.00 0.57 H new ATOM 0 HB2 GLU A 14 -2.206 2.011 -12.327 1.00 0.66 H new ATOM 0 HB3 GLU A 14 -3.828 1.633 -11.783 1.00 0.66 H new ATOM 0 HG2 GLU A 14 -4.807 3.297 -13.292 1.00 0.73 H new ATOM 0 HG3 GLU A 14 -3.228 3.943 -13.695 1.00 0.73 H new ATOM 248 N SER A 15 -3.593 3.738 -8.712 1.00 0.52 N ATOM 249 CA SER A 15 -3.772 3.212 -7.327 1.00 0.48 C ATOM 250 C SER A 15 -4.903 3.974 -6.630 1.00 0.46 C ATOM 251 O SER A 15 -5.033 5.175 -6.769 1.00 0.44 O ATOM 252 CB SER A 15 -2.468 3.388 -6.543 1.00 0.40 C ATOM 253 OG SER A 15 -1.826 2.126 -6.415 1.00 1.13 O ATOM 0 H SER A 15 -3.749 4.740 -8.817 1.00 0.52 H new ATOM 0 HA SER A 15 -4.027 2.153 -7.370 1.00 0.48 H new ATOM 0 HB2 SER A 15 -1.813 4.092 -7.056 1.00 0.40 H new ATOM 0 HB3 SER A 15 -2.675 3.806 -5.558 1.00 0.40 H new ATOM 0 HG SER A 15 -1.258 2.128 -5.617 1.00 1.13 H new ATOM 259 N TYR A 16 -5.718 3.277 -5.881 1.00 0.49 N ATOM 260 CA TYR A 16 -6.847 3.940 -5.166 1.00 0.50 C ATOM 261 C TYR A 16 -6.297 4.907 -4.104 1.00 0.39 C ATOM 262 O TYR A 16 -6.991 5.805 -3.664 1.00 0.43 O ATOM 263 CB TYR A 16 -7.717 2.863 -4.498 1.00 0.55 C ATOM 264 CG TYR A 16 -8.867 3.493 -3.733 1.00 0.57 C ATOM 265 CD1 TYR A 16 -9.638 4.508 -4.319 1.00 0.69 C ATOM 266 CD2 TYR A 16 -9.158 3.057 -2.436 1.00 0.52 C ATOM 267 CE1 TYR A 16 -10.697 5.083 -3.604 1.00 0.76 C ATOM 268 CE2 TYR A 16 -10.216 3.632 -1.722 1.00 0.58 C ATOM 269 CZ TYR A 16 -10.985 4.645 -2.306 1.00 0.70 C ATOM 270 OH TYR A 16 -12.027 5.213 -1.603 1.00 0.79 O ATOM 0 H TYR A 16 -5.648 2.270 -5.734 1.00 0.49 H new ATOM 0 HA TYR A 16 -7.450 4.507 -5.875 1.00 0.50 H new ATOM 0 HB2 TYR A 16 -8.108 2.184 -5.256 1.00 0.55 H new ATOM 0 HB3 TYR A 16 -7.107 2.266 -3.820 1.00 0.55 H new ATOM 0 HD1 TYR A 16 -9.415 4.846 -5.320 1.00 0.69 H new ATOM 0 HD2 TYR A 16 -8.565 2.275 -1.985 1.00 0.52 H new ATOM 0 HE1 TYR A 16 -11.291 5.864 -4.054 1.00 0.76 H new ATOM 0 HE2 TYR A 16 -10.439 3.294 -0.721 1.00 0.58 H new ATOM 0 HH TYR A 16 -12.092 4.794 -0.719 1.00 0.79 H new ATOM 280 N TRP A 17 -5.066 4.730 -3.684 1.00 0.30 N ATOM 281 CA TRP A 17 -4.491 5.638 -2.648 1.00 0.24 C ATOM 282 C TRP A 17 -3.231 6.328 -3.190 1.00 0.23 C ATOM 283 O TRP A 17 -2.346 6.695 -2.442 1.00 0.23 O ATOM 284 CB TRP A 17 -4.149 4.823 -1.399 1.00 0.19 C ATOM 285 CG TRP A 17 -5.390 4.149 -0.898 1.00 0.21 C ATOM 286 CD1 TRP A 17 -6.576 4.767 -0.679 1.00 0.31 C ATOM 287 CD2 TRP A 17 -5.593 2.747 -0.552 1.00 0.33 C ATOM 288 NE1 TRP A 17 -7.491 3.834 -0.227 1.00 0.28 N ATOM 289 CE2 TRP A 17 -6.933 2.575 -0.128 1.00 0.30 C ATOM 290 CE3 TRP A 17 -4.755 1.619 -0.564 1.00 0.56 C ATOM 291 CZ2 TRP A 17 -7.424 1.330 0.268 1.00 0.45 C ATOM 292 CZ3 TRP A 17 -5.245 0.364 -0.164 1.00 0.75 C ATOM 293 CH2 TRP A 17 -6.576 0.220 0.251 1.00 0.68 C ATOM 0 H TRP A 17 -4.438 3.997 -4.015 1.00 0.30 H new ATOM 0 HA TRP A 17 -5.222 6.405 -2.392 1.00 0.24 H new ATOM 0 HB2 TRP A 17 -3.386 4.080 -1.632 1.00 0.19 H new ATOM 0 HB3 TRP A 17 -3.736 5.473 -0.627 1.00 0.19 H new ATOM 0 HD1 TRP A 17 -6.774 5.817 -0.833 1.00 0.31 H new ATOM 0 HE1 TRP A 17 -8.461 4.050 0.005 1.00 0.28 H new ATOM 0 HE3 TRP A 17 -3.728 1.717 -0.883 1.00 0.56 H new ATOM 0 HZ2 TRP A 17 -8.451 1.226 0.585 1.00 0.45 H new ATOM 0 HZ3 TRP A 17 -4.591 -0.496 -0.176 1.00 0.75 H new ATOM 0 HH2 TRP A 17 -6.945 -0.748 0.557 1.00 0.68 H new ATOM 304 N TYR A 18 -3.157 6.514 -4.483 1.00 0.25 N ATOM 305 CA TYR A 18 -1.972 7.191 -5.093 1.00 0.25 C ATOM 306 C TYR A 18 -1.901 8.637 -4.582 1.00 0.29 C ATOM 307 O TYR A 18 -2.906 9.314 -4.473 1.00 0.40 O ATOM 308 CB TYR A 18 -2.131 7.174 -6.626 1.00 0.29 C ATOM 309 CG TYR A 18 -1.050 7.999 -7.306 1.00 0.29 C ATOM 310 CD1 TYR A 18 0.294 7.867 -6.927 1.00 0.28 C ATOM 311 CD2 TYR A 18 -1.403 8.898 -8.321 1.00 0.35 C ATOM 312 CE1 TYR A 18 1.277 8.636 -7.566 1.00 0.30 C ATOM 313 CE2 TYR A 18 -0.418 9.664 -8.956 1.00 0.35 C ATOM 314 CZ TYR A 18 0.921 9.532 -8.577 1.00 0.30 C ATOM 315 OH TYR A 18 1.892 10.288 -9.204 1.00 0.32 O ATOM 0 H TYR A 18 -3.873 6.223 -5.149 1.00 0.25 H new ATOM 0 HA TYR A 18 -1.053 6.674 -4.818 1.00 0.25 H new ATOM 0 HB2 TYR A 18 -2.087 6.146 -6.986 1.00 0.29 H new ATOM 0 HB3 TYR A 18 -3.112 7.564 -6.896 1.00 0.29 H new ATOM 0 HD1 TYR A 18 0.571 7.175 -6.145 1.00 0.28 H new ATOM 0 HD2 TYR A 18 -2.437 9.000 -8.614 1.00 0.35 H new ATOM 0 HE1 TYR A 18 2.312 8.535 -7.276 1.00 0.30 H new ATOM 0 HE2 TYR A 18 -0.693 10.356 -9.738 1.00 0.35 H new ATOM 0 HH TYR A 18 1.475 10.858 -9.883 1.00 0.32 H new ATOM 325 N GLY A 19 -0.718 9.112 -4.281 1.00 0.29 N ATOM 326 CA GLY A 19 -0.571 10.514 -3.789 1.00 0.34 C ATOM 327 C GLY A 19 -0.707 10.572 -2.262 1.00 0.31 C ATOM 328 O GLY A 19 -0.403 11.580 -1.652 1.00 0.39 O ATOM 0 H GLY A 19 0.153 8.587 -4.355 1.00 0.29 H new ATOM 0 HA2 GLY A 19 0.400 10.909 -4.087 1.00 0.34 H new ATOM 0 HA3 GLY A 19 -1.328 11.148 -4.251 1.00 0.34 H new ATOM 332 N ASP A 20 -1.163 9.512 -1.635 1.00 0.24 N ATOM 333 CA ASP A 20 -1.318 9.527 -0.153 1.00 0.23 C ATOM 334 C ASP A 20 -0.232 8.659 0.482 1.00 0.22 C ATOM 335 O ASP A 20 0.343 7.805 -0.162 1.00 0.39 O ATOM 336 CB ASP A 20 -2.695 8.971 0.211 1.00 0.26 C ATOM 337 CG ASP A 20 -3.660 10.125 0.494 1.00 0.64 C ATOM 338 OD1 ASP A 20 -3.664 10.606 1.616 1.00 1.32 O ATOM 339 OD2 ASP A 20 -4.379 10.506 -0.415 1.00 1.40 O ATOM 0 H ASP A 20 -1.433 8.640 -2.090 1.00 0.24 H new ATOM 0 HA ASP A 20 -1.225 10.548 0.217 1.00 0.23 H new ATOM 0 HB2 ASP A 20 -3.077 8.357 -0.605 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -2.618 8.326 1.086 1.00 0.26 H new ATOM 344 N VAL A 21 0.045 8.872 1.742 1.00 0.16 N ATOM 345 CA VAL A 21 1.089 8.060 2.434 1.00 0.13 C ATOM 346 C VAL A 21 0.415 6.907 3.180 1.00 0.14 C ATOM 347 O VAL A 21 -0.778 6.927 3.419 1.00 0.31 O ATOM 348 CB VAL A 21 1.851 8.948 3.426 1.00 0.15 C ATOM 349 CG1 VAL A 21 2.956 8.138 4.109 1.00 0.16 C ATOM 350 CG2 VAL A 21 2.483 10.120 2.672 1.00 0.19 C ATOM 0 H VAL A 21 -0.409 9.576 2.324 1.00 0.16 H new ATOM 0 HA VAL A 21 1.790 7.658 1.703 1.00 0.13 H new ATOM 0 HB VAL A 21 1.157 9.320 4.180 1.00 0.15 H new ATOM 0 HG11 VAL A 21 3.493 8.775 4.812 1.00 0.16 H new ATOM 0 HG12 VAL A 21 2.513 7.299 4.645 1.00 0.16 H new ATOM 0 HG13 VAL A 21 3.650 7.763 3.357 1.00 0.16 H new ATOM 0 HG21 VAL A 21 3.026 10.754 3.373 1.00 0.19 H new ATOM 0 HG22 VAL A 21 3.173 9.739 1.919 1.00 0.19 H new ATOM 0 HG23 VAL A 21 1.701 10.704 2.186 1.00 0.19 H new ATOM 360 N GLY A 22 1.170 5.902 3.544 1.00 0.14 N ATOM 361 CA GLY A 22 0.580 4.742 4.270 1.00 0.13 C ATOM 362 C GLY A 22 1.599 4.181 5.266 1.00 0.12 C ATOM 363 O GLY A 22 2.788 4.408 5.142 1.00 0.21 O ATOM 0 H GLY A 22 2.173 5.837 3.368 1.00 0.14 H new ATOM 0 HA2 GLY A 22 -0.323 5.051 4.795 1.00 0.13 H new ATOM 0 HA3 GLY A 22 0.287 3.968 3.561 1.00 0.13 H new ATOM 367 N THR A 23 1.138 3.452 6.251 1.00 0.15 N ATOM 368 CA THR A 23 2.072 2.871 7.263 1.00 0.17 C ATOM 369 C THR A 23 2.485 1.465 6.827 1.00 0.16 C ATOM 370 O THR A 23 1.666 0.573 6.733 1.00 0.16 O ATOM 371 CB THR A 23 1.366 2.790 8.618 1.00 0.20 C ATOM 372 OG1 THR A 23 0.625 3.983 8.836 1.00 0.21 O ATOM 373 CG2 THR A 23 2.405 2.622 9.727 1.00 0.27 C ATOM 0 H THR A 23 0.153 3.234 6.398 1.00 0.15 H new ATOM 0 HA THR A 23 2.956 3.503 7.346 1.00 0.17 H new ATOM 0 HB THR A 23 0.689 1.935 8.625 1.00 0.20 H new ATOM 0 HG1 THR A 23 0.171 3.932 9.703 1.00 0.21 H new ATOM 0 HG21 THR A 23 1.901 2.564 10.692 1.00 0.27 H new ATOM 0 HG22 THR A 23 2.972 1.707 9.559 1.00 0.27 H new ATOM 0 HG23 THR A 23 3.083 3.475 9.722 1.00 0.27 H new ATOM 381 N VAL A 24 3.754 1.257 6.566 1.00 0.17 N ATOM 382 CA VAL A 24 4.235 -0.096 6.132 1.00 0.17 C ATOM 383 C VAL A 24 3.739 -1.175 7.103 1.00 0.16 C ATOM 384 O VAL A 24 3.949 -1.091 8.298 1.00 0.29 O ATOM 385 CB VAL A 24 5.765 -0.105 6.100 1.00 0.22 C ATOM 386 CG1 VAL A 24 6.254 -1.419 5.489 1.00 0.25 C ATOM 387 CG2 VAL A 24 6.268 1.067 5.253 1.00 0.28 C ATOM 0 H VAL A 24 4.481 1.969 6.635 1.00 0.17 H new ATOM 0 HA VAL A 24 3.843 -0.309 5.138 1.00 0.17 H new ATOM 0 HB VAL A 24 6.148 -0.009 7.116 1.00 0.22 H new ATOM 0 HG11 VAL A 24 7.344 -1.426 5.466 1.00 0.25 H new ATOM 0 HG12 VAL A 24 5.898 -2.255 6.091 1.00 0.25 H new ATOM 0 HG13 VAL A 24 5.869 -1.514 4.474 1.00 0.25 H new ATOM 0 HG21 VAL A 24 7.358 1.059 5.231 1.00 0.28 H new ATOM 0 HG22 VAL A 24 5.884 0.973 4.237 1.00 0.28 H new ATOM 0 HG23 VAL A 24 5.921 2.005 5.687 1.00 0.28 H new ATOM 397 N ALA A 25 3.074 -2.181 6.591 1.00 0.18 N ATOM 398 CA ALA A 25 2.550 -3.265 7.473 1.00 0.22 C ATOM 399 C ALA A 25 3.519 -4.448 7.475 1.00 0.23 C ATOM 400 O ALA A 25 3.856 -4.979 8.517 1.00 0.29 O ATOM 401 CB ALA A 25 1.187 -3.728 6.954 1.00 0.25 C ATOM 0 H ALA A 25 2.872 -2.297 5.598 1.00 0.18 H new ATOM 0 HA ALA A 25 2.447 -2.882 8.488 1.00 0.22 H new ATOM 0 HB1 ALA A 25 0.803 -4.520 7.597 1.00 0.25 H new ATOM 0 HB2 ALA A 25 0.492 -2.888 6.957 1.00 0.25 H new ATOM 0 HB3 ALA A 25 1.294 -4.106 5.937 1.00 0.25 H new ATOM 407 N SER A 26 3.966 -4.867 6.318 1.00 0.21 N ATOM 408 CA SER A 26 4.910 -6.020 6.253 1.00 0.24 C ATOM 409 C SER A 26 5.420 -6.198 4.821 1.00 0.24 C ATOM 410 O SER A 26 4.815 -5.734 3.872 1.00 0.24 O ATOM 411 CB SER A 26 4.186 -7.292 6.695 1.00 0.29 C ATOM 412 OG SER A 26 5.096 -8.133 7.392 1.00 0.63 O ATOM 0 H SER A 26 3.717 -4.459 5.417 1.00 0.21 H new ATOM 0 HA SER A 26 5.756 -5.828 6.913 1.00 0.24 H new ATOM 0 HB2 SER A 26 3.342 -7.039 7.337 1.00 0.29 H new ATOM 0 HB3 SER A 26 3.782 -7.814 5.828 1.00 0.29 H new ATOM 0 HG SER A 26 4.634 -8.949 7.678 1.00 0.63 H new ATOM 418 N ILE A 27 6.531 -6.873 4.666 1.00 0.34 N ATOM 419 CA ILE A 27 7.097 -7.098 3.305 1.00 0.42 C ATOM 420 C ILE A 27 7.053 -8.594 2.985 1.00 0.51 C ATOM 421 O ILE A 27 6.883 -9.419 3.863 1.00 0.61 O ATOM 422 CB ILE A 27 8.552 -6.613 3.265 1.00 0.54 C ATOM 423 CG1 ILE A 27 8.652 -5.189 3.841 1.00 0.67 C ATOM 424 CG2 ILE A 27 9.055 -6.619 1.819 1.00 0.66 C ATOM 425 CD1 ILE A 27 7.779 -4.219 3.031 1.00 0.77 C ATOM 0 H ILE A 27 7.072 -7.279 5.429 1.00 0.34 H new ATOM 0 HA ILE A 27 6.512 -6.545 2.571 1.00 0.42 H new ATOM 0 HB ILE A 27 9.166 -7.283 3.867 1.00 0.54 H new ATOM 0 HG12 ILE A 27 8.335 -5.189 4.884 1.00 0.67 H new ATOM 0 HG13 ILE A 27 9.689 -4.855 3.823 1.00 0.67 H new ATOM 0 HG21 ILE A 27 10.089 -6.274 1.792 1.00 0.66 H new ATOM 0 HG22 ILE A 27 8.999 -7.631 1.419 1.00 0.66 H new ATOM 0 HG23 ILE A 27 8.435 -5.956 1.215 1.00 0.66 H new ATOM 0 HD11 ILE A 27 7.862 -3.217 3.452 1.00 0.77 H new ATOM 0 HD12 ILE A 27 8.115 -4.206 1.994 1.00 0.77 H new ATOM 0 HD13 ILE A 27 6.740 -4.545 3.071 1.00 0.77 H new ATOM 437 N ASP A 28 7.206 -8.948 1.734 1.00 0.64 N ATOM 438 CA ASP A 28 7.174 -10.390 1.349 1.00 0.77 C ATOM 439 C ASP A 28 8.586 -10.849 0.980 1.00 0.96 C ATOM 440 O ASP A 28 9.551 -10.132 1.171 1.00 1.61 O ATOM 441 CB ASP A 28 6.243 -10.578 0.149 1.00 0.87 C ATOM 442 CG ASP A 28 5.512 -11.917 0.272 1.00 0.98 C ATOM 443 OD1 ASP A 28 4.768 -12.076 1.225 1.00 1.43 O ATOM 444 OD2 ASP A 28 5.709 -12.758 -0.588 1.00 1.49 O ATOM 0 H ASP A 28 7.352 -8.298 0.961 1.00 0.64 H new ATOM 0 HA ASP A 28 6.807 -10.983 2.187 1.00 0.77 H new ATOM 0 HB2 ASP A 28 5.522 -9.761 0.103 1.00 0.87 H new ATOM 0 HB3 ASP A 28 6.817 -10.549 -0.777 1.00 0.87 H new ATOM 449 N LYS A 29 8.712 -12.040 0.453 1.00 1.06 N ATOM 450 CA LYS A 29 10.058 -12.558 0.068 1.00 1.26 C ATOM 451 C LYS A 29 10.286 -12.324 -1.428 1.00 1.56 C ATOM 452 O LYS A 29 10.841 -13.158 -2.118 1.00 2.18 O ATOM 453 CB LYS A 29 10.132 -14.057 0.370 1.00 1.61 C ATOM 454 CG LYS A 29 11.556 -14.422 0.792 1.00 2.14 C ATOM 455 CD LYS A 29 11.804 -13.945 2.224 1.00 2.45 C ATOM 456 CE LYS A 29 13.020 -14.670 2.801 1.00 3.34 C ATOM 457 NZ LYS A 29 14.265 -13.971 2.372 1.00 3.96 N ATOM 0 H LYS A 29 7.937 -12.678 0.272 1.00 1.06 H new ATOM 0 HA LYS A 29 10.827 -12.035 0.637 1.00 1.26 H new ATOM 0 HB2 LYS A 29 9.429 -14.314 1.162 1.00 1.61 H new ATOM 0 HB3 LYS A 29 9.844 -14.631 -0.511 1.00 1.61 H new ATOM 0 HG2 LYS A 29 11.700 -15.500 0.727 1.00 2.14 H new ATOM 0 HG3 LYS A 29 12.276 -13.962 0.115 1.00 2.14 H new ATOM 0 HD2 LYS A 29 11.970 -12.868 2.236 1.00 2.45 H new ATOM 0 HD3 LYS A 29 10.926 -14.139 2.840 1.00 2.45 H new ATOM 0 HE2 LYS A 29 12.960 -14.694 3.889 1.00 3.34 H new ATOM 0 HE3 LYS A 29 13.035 -15.705 2.460 1.00 3.34 H new ATOM 0 HZ1 LYS A 29 15.093 -14.464 2.764 1.00 3.96 H new ATOM 0 HZ2 LYS A 29 14.323 -13.970 1.334 1.00 3.96 H new ATOM 0 HZ3 LYS A 29 14.250 -12.991 2.718 1.00 3.96 H new ATOM 471 N SER A 30 9.859 -11.192 -1.933 1.00 1.69 N ATOM 472 CA SER A 30 10.045 -10.888 -3.386 1.00 2.35 C ATOM 473 C SER A 30 9.335 -11.950 -4.231 1.00 1.84 C ATOM 474 O SER A 30 9.755 -12.263 -5.329 1.00 2.28 O ATOM 475 CB SER A 30 11.538 -10.882 -3.723 1.00 3.44 C ATOM 476 OG SER A 30 12.038 -9.556 -3.614 1.00 4.34 O ATOM 0 H SER A 30 9.387 -10.462 -1.398 1.00 1.69 H new ATOM 0 HA SER A 30 9.620 -9.909 -3.605 1.00 2.35 H new ATOM 0 HB2 SER A 30 12.078 -11.544 -3.046 1.00 3.44 H new ATOM 0 HB3 SER A 30 11.696 -11.261 -4.733 1.00 3.44 H new ATOM 0 HG SER A 30 12.994 -9.548 -3.827 1.00 4.34 H new ATOM 482 N GLY A 31 8.262 -12.502 -3.723 1.00 1.34 N ATOM 483 CA GLY A 31 7.517 -13.545 -4.488 1.00 1.71 C ATOM 484 C GLY A 31 6.712 -12.881 -5.607 1.00 1.47 C ATOM 485 O GLY A 31 6.484 -13.468 -6.649 1.00 1.76 O ATOM 0 H GLY A 31 7.870 -12.274 -2.809 1.00 1.34 H new ATOM 0 HA2 GLY A 31 8.214 -14.270 -4.908 1.00 1.71 H new ATOM 0 HA3 GLY A 31 6.850 -14.093 -3.822 1.00 1.71 H new ATOM 489 N ILE A 32 6.281 -11.663 -5.398 1.00 1.10 N ATOM 490 CA ILE A 32 5.490 -10.953 -6.444 1.00 0.89 C ATOM 491 C ILE A 32 6.126 -9.591 -6.730 1.00 0.72 C ATOM 492 O ILE A 32 7.007 -9.146 -6.018 1.00 0.83 O ATOM 493 CB ILE A 32 4.055 -10.753 -5.950 1.00 0.88 C ATOM 494 CG1 ILE A 32 4.077 -10.051 -4.590 1.00 0.90 C ATOM 495 CG2 ILE A 32 3.369 -12.113 -5.810 1.00 1.11 C ATOM 496 CD1 ILE A 32 2.679 -9.524 -4.264 1.00 0.97 C ATOM 0 H ILE A 32 6.444 -11.129 -4.544 1.00 1.10 H new ATOM 0 HA ILE A 32 5.481 -11.547 -7.358 1.00 0.89 H new ATOM 0 HB ILE A 32 3.506 -10.141 -6.666 1.00 0.88 H new ATOM 0 HG12 ILE A 32 4.405 -10.745 -3.816 1.00 0.90 H new ATOM 0 HG13 ILE A 32 4.793 -9.229 -4.605 1.00 0.90 H new ATOM 0 HG21 ILE A 32 2.347 -11.971 -5.458 1.00 1.11 H new ATOM 0 HG22 ILE A 32 3.353 -12.614 -6.778 1.00 1.11 H new ATOM 0 HG23 ILE A 32 3.917 -12.725 -5.094 1.00 1.11 H new ATOM 0 HD11 ILE A 32 2.695 -9.024 -3.295 1.00 0.97 H new ATOM 0 HD12 ILE A 32 2.369 -8.816 -5.032 1.00 0.97 H new ATOM 0 HD13 ILE A 32 1.975 -10.356 -4.231 1.00 0.97 H new ATOM 508 N ILE A 33 5.683 -8.927 -7.768 1.00 0.57 N ATOM 509 CA ILE A 33 6.254 -7.591 -8.110 1.00 0.52 C ATOM 510 C ILE A 33 5.877 -6.572 -7.023 1.00 0.41 C ATOM 511 O ILE A 33 6.554 -5.578 -6.837 1.00 0.46 O ATOM 512 CB ILE A 33 5.711 -7.145 -9.476 1.00 0.62 C ATOM 513 CG1 ILE A 33 6.316 -5.789 -9.857 1.00 1.43 C ATOM 514 CG2 ILE A 33 4.185 -7.026 -9.420 1.00 1.00 C ATOM 515 CD1 ILE A 33 5.904 -5.426 -11.285 1.00 1.83 C ATOM 0 H ILE A 33 4.948 -9.255 -8.395 1.00 0.57 H new ATOM 0 HA ILE A 33 7.341 -7.656 -8.162 1.00 0.52 H new ATOM 0 HB ILE A 33 5.985 -7.888 -10.225 1.00 0.62 H new ATOM 0 HG12 ILE A 33 5.976 -5.020 -9.163 1.00 1.43 H new ATOM 0 HG13 ILE A 33 7.403 -5.830 -9.780 1.00 1.43 H new ATOM 0 HG21 ILE A 33 3.809 -6.709 -10.393 1.00 1.00 H new ATOM 0 HG22 ILE A 33 3.754 -7.993 -9.162 1.00 1.00 H new ATOM 0 HG23 ILE A 33 3.905 -6.291 -8.666 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.335 -4.462 -11.554 1.00 1.83 H new ATOM 0 HD12 ILE A 33 6.266 -6.190 -11.973 1.00 1.83 H new ATOM 0 HD13 ILE A 33 4.817 -5.367 -11.346 1.00 1.83 H new ATOM 527 N TYR A 34 4.805 -6.812 -6.306 1.00 0.34 N ATOM 528 CA TYR A 34 4.384 -5.865 -5.230 1.00 0.28 C ATOM 529 C TYR A 34 4.226 -6.638 -3.902 1.00 0.31 C ATOM 530 O TYR A 34 3.118 -6.924 -3.494 1.00 0.34 O ATOM 531 CB TYR A 34 3.047 -5.222 -5.621 1.00 0.28 C ATOM 532 CG TYR A 34 3.138 -4.598 -6.999 1.00 0.30 C ATOM 533 CD1 TYR A 34 4.245 -3.811 -7.355 1.00 0.86 C ATOM 534 CD2 TYR A 34 2.105 -4.804 -7.922 1.00 0.79 C ATOM 535 CE1 TYR A 34 4.315 -3.235 -8.629 1.00 0.94 C ATOM 536 CE2 TYR A 34 2.177 -4.228 -9.196 1.00 0.78 C ATOM 537 CZ TYR A 34 3.281 -3.443 -9.550 1.00 0.46 C ATOM 538 OH TYR A 34 3.350 -2.874 -10.805 1.00 0.56 O ATOM 0 H TYR A 34 4.203 -7.627 -6.422 1.00 0.34 H new ATOM 0 HA TYR A 34 5.137 -5.087 -5.104 1.00 0.28 H new ATOM 0 HB2 TYR A 34 2.258 -5.974 -5.608 1.00 0.28 H new ATOM 0 HB3 TYR A 34 2.775 -4.462 -4.889 1.00 0.28 H new ATOM 0 HD1 TYR A 34 5.043 -3.650 -6.645 1.00 0.86 H new ATOM 0 HD2 TYR A 34 1.252 -5.408 -7.651 1.00 0.79 H new ATOM 0 HE1 TYR A 34 5.167 -2.630 -8.902 1.00 0.94 H new ATOM 0 HE2 TYR A 34 1.380 -4.389 -9.907 1.00 0.78 H new ATOM 0 HH TYR A 34 2.552 -3.118 -11.319 1.00 0.56 H new ATOM 548 N PRO A 35 5.338 -6.979 -3.269 1.00 0.34 N ATOM 549 CA PRO A 35 5.319 -7.741 -2.003 1.00 0.41 C ATOM 550 C PRO A 35 5.105 -6.832 -0.781 1.00 0.42 C ATOM 551 O PRO A 35 4.811 -7.309 0.298 1.00 0.67 O ATOM 552 CB PRO A 35 6.716 -8.365 -1.946 1.00 0.45 C ATOM 553 CG PRO A 35 7.631 -7.480 -2.828 1.00 0.40 C ATOM 554 CD PRO A 35 6.707 -6.658 -3.745 1.00 0.33 C ATOM 0 HA PRO A 35 4.505 -8.465 -1.977 1.00 0.41 H new ATOM 0 HB2 PRO A 35 7.083 -8.401 -0.920 1.00 0.45 H new ATOM 0 HB3 PRO A 35 6.698 -9.391 -2.314 1.00 0.45 H new ATOM 0 HG2 PRO A 35 8.246 -6.824 -2.211 1.00 0.40 H new ATOM 0 HG3 PRO A 35 8.312 -8.095 -3.417 1.00 0.40 H new ATOM 0 HD2 PRO A 35 6.915 -5.591 -3.666 1.00 0.33 H new ATOM 0 HD3 PRO A 35 6.839 -6.932 -4.792 1.00 0.33 H new ATOM 562 N VAL A 36 5.277 -5.539 -0.927 1.00 0.32 N ATOM 563 CA VAL A 36 5.109 -4.626 0.248 1.00 0.33 C ATOM 564 C VAL A 36 3.650 -4.181 0.383 1.00 0.34 C ATOM 565 O VAL A 36 3.148 -3.436 -0.433 1.00 0.64 O ATOM 566 CB VAL A 36 5.991 -3.388 0.061 1.00 0.32 C ATOM 567 CG1 VAL A 36 5.958 -2.542 1.339 1.00 0.37 C ATOM 568 CG2 VAL A 36 7.437 -3.815 -0.239 1.00 0.35 C ATOM 0 H VAL A 36 5.525 -5.079 -1.803 1.00 0.32 H new ATOM 0 HA VAL A 36 5.401 -5.165 1.150 1.00 0.33 H new ATOM 0 HB VAL A 36 5.613 -2.800 -0.776 1.00 0.32 H new ATOM 0 HG11 VAL A 36 6.585 -1.660 1.208 1.00 0.37 H new ATOM 0 HG12 VAL A 36 4.933 -2.231 1.543 1.00 0.37 H new ATOM 0 HG13 VAL A 36 6.332 -3.132 2.176 1.00 0.37 H new ATOM 0 HG21 VAL A 36 8.058 -2.929 -0.371 1.00 0.35 H new ATOM 0 HG22 VAL A 36 7.821 -4.407 0.591 1.00 0.35 H new ATOM 0 HG23 VAL A 36 7.458 -4.412 -1.151 1.00 0.35 H new ATOM 578 N ILE A 37 2.976 -4.606 1.423 1.00 0.16 N ATOM 579 CA ILE A 37 1.557 -4.181 1.611 1.00 0.18 C ATOM 580 C ILE A 37 1.524 -3.002 2.600 1.00 0.15 C ATOM 581 O ILE A 37 1.968 -3.113 3.728 1.00 0.27 O ATOM 582 CB ILE A 37 0.700 -5.390 2.087 1.00 0.26 C ATOM 583 CG1 ILE A 37 -0.687 -5.297 1.446 1.00 0.45 C ATOM 584 CG2 ILE A 37 0.536 -5.438 3.617 1.00 0.30 C ATOM 585 CD1 ILE A 37 -0.674 -6.011 0.093 1.00 0.65 C ATOM 0 H ILE A 37 3.345 -5.225 2.145 1.00 0.16 H new ATOM 0 HA ILE A 37 1.124 -3.843 0.670 1.00 0.18 H new ATOM 0 HB ILE A 37 1.220 -6.298 1.784 1.00 0.26 H new ATOM 0 HG12 ILE A 37 -1.432 -5.749 2.100 1.00 0.45 H new ATOM 0 HG13 ILE A 37 -0.969 -4.252 1.315 1.00 0.45 H new ATOM 0 HG21 ILE A 37 -0.070 -6.301 3.891 1.00 0.30 H new ATOM 0 HG22 ILE A 37 1.517 -5.520 4.086 1.00 0.30 H new ATOM 0 HG23 ILE A 37 0.045 -4.527 3.959 1.00 0.30 H new ATOM 0 HD11 ILE A 37 -1.662 -5.945 -0.363 1.00 0.65 H new ATOM 0 HD12 ILE A 37 0.060 -5.539 -0.560 1.00 0.65 H new ATOM 0 HD13 ILE A 37 -0.411 -7.059 0.237 1.00 0.65 H new ATOM 597 N VAL A 38 1.015 -1.876 2.174 1.00 0.20 N ATOM 598 CA VAL A 38 0.963 -0.685 3.071 1.00 0.19 C ATOM 599 C VAL A 38 -0.428 -0.577 3.700 1.00 0.20 C ATOM 600 O VAL A 38 -1.372 -1.191 3.243 1.00 0.23 O ATOM 601 CB VAL A 38 1.264 0.574 2.254 1.00 0.17 C ATOM 602 CG1 VAL A 38 1.397 1.772 3.191 1.00 0.18 C ATOM 603 CG2 VAL A 38 2.575 0.388 1.484 1.00 0.20 C ATOM 0 H VAL A 38 0.632 -1.730 1.240 1.00 0.20 H new ATOM 0 HA VAL A 38 1.704 -0.789 3.863 1.00 0.19 H new ATOM 0 HB VAL A 38 0.450 0.748 1.551 1.00 0.17 H new ATOM 0 HG11 VAL A 38 1.611 2.668 2.608 1.00 0.18 H new ATOM 0 HG12 VAL A 38 0.465 1.910 3.739 1.00 0.18 H new ATOM 0 HG13 VAL A 38 2.210 1.594 3.895 1.00 0.18 H new ATOM 0 HG21 VAL A 38 2.786 1.286 0.903 1.00 0.20 H new ATOM 0 HG22 VAL A 38 3.388 0.211 2.188 1.00 0.20 H new ATOM 0 HG23 VAL A 38 2.484 -0.466 0.812 1.00 0.20 H new ATOM 613 N ARG A 39 -0.558 0.198 4.747 1.00 0.22 N ATOM 614 CA ARG A 39 -1.884 0.355 5.418 1.00 0.25 C ATOM 615 C ARG A 39 -2.437 1.747 5.114 1.00 0.23 C ATOM 616 O ARG A 39 -1.716 2.727 5.144 1.00 0.30 O ATOM 617 CB ARG A 39 -1.719 0.198 6.933 1.00 0.34 C ATOM 618 CG ARG A 39 -0.942 -1.086 7.246 1.00 1.11 C ATOM 619 CD ARG A 39 -1.568 -1.789 8.454 1.00 1.11 C ATOM 620 NE ARG A 39 -1.510 -3.264 8.256 1.00 1.90 N ATOM 621 CZ ARG A 39 -1.509 -4.062 9.289 1.00 2.14 C ATOM 622 NH1 ARG A 39 -0.663 -3.867 10.263 1.00 2.75 N ATOM 623 NH2 ARG A 39 -2.355 -5.054 9.348 1.00 2.44 N ATOM 0 H ARG A 39 0.202 0.732 5.168 1.00 0.22 H new ATOM 0 HA ARG A 39 -2.570 -0.407 5.049 1.00 0.25 H new ATOM 0 HB2 ARG A 39 -1.192 1.060 7.341 1.00 0.34 H new ATOM 0 HB3 ARG A 39 -2.697 0.167 7.412 1.00 0.34 H new ATOM 0 HG2 ARG A 39 -0.954 -1.749 6.381 1.00 1.11 H new ATOM 0 HG3 ARG A 39 0.102 -0.849 7.452 1.00 1.11 H new ATOM 0 HD2 ARG A 39 -1.037 -1.513 9.365 1.00 1.11 H new ATOM 0 HD3 ARG A 39 -2.602 -1.469 8.579 1.00 1.11 H new ATOM 0 HE ARG A 39 -1.471 -3.651 7.313 1.00 1.90 H new ATOM 0 HH11 ARG A 39 -0.003 -3.091 10.217 1.00 2.75 H new ATOM 0 HH12 ARG A 39 -0.662 -4.490 11.070 1.00 2.75 H new ATOM 0 HH21 ARG A 39 -3.017 -5.206 8.587 1.00 2.44 H new ATOM 0 HH22 ARG A 39 -2.354 -5.678 10.155 1.00 2.44 H new ATOM 637 N PHE A 40 -3.707 1.840 4.811 1.00 0.26 N ATOM 638 CA PHE A 40 -4.305 3.170 4.492 1.00 0.29 C ATOM 639 C PHE A 40 -5.571 3.428 5.325 1.00 0.35 C ATOM 640 O PHE A 40 -6.109 4.520 5.303 1.00 1.26 O ATOM 641 CB PHE A 40 -4.667 3.207 3.008 1.00 0.35 C ATOM 642 CG PHE A 40 -3.431 2.940 2.189 1.00 0.26 C ATOM 643 CD1 PHE A 40 -3.057 1.626 1.886 1.00 0.32 C ATOM 644 CD2 PHE A 40 -2.657 4.011 1.732 1.00 0.26 C ATOM 645 CE1 PHE A 40 -1.907 1.384 1.124 1.00 0.27 C ATOM 646 CE2 PHE A 40 -1.510 3.770 0.972 1.00 0.24 C ATOM 647 CZ PHE A 40 -1.134 2.457 0.668 1.00 0.17 C ATOM 0 H PHE A 40 -4.354 1.053 4.771 1.00 0.26 H new ATOM 0 HA PHE A 40 -3.575 3.943 4.731 1.00 0.29 H new ATOM 0 HB2 PHE A 40 -5.431 2.461 2.789 1.00 0.35 H new ATOM 0 HB3 PHE A 40 -5.087 4.179 2.748 1.00 0.35 H new ATOM 0 HD1 PHE A 40 -3.655 0.799 2.240 1.00 0.32 H new ATOM 0 HD2 PHE A 40 -2.946 5.025 1.967 1.00 0.26 H new ATOM 0 HE1 PHE A 40 -1.617 0.370 0.889 1.00 0.27 H new ATOM 0 HE2 PHE A 40 -0.913 4.598 0.619 1.00 0.24 H new ATOM 0 HZ PHE A 40 -0.247 2.272 0.081 1.00 0.17 H new ATOM 657 N ASN A 41 -6.064 2.444 6.045 1.00 1.00 N ATOM 658 CA ASN A 41 -7.305 2.655 6.857 1.00 1.02 C ATOM 659 C ASN A 41 -8.453 3.102 5.939 1.00 0.78 C ATOM 660 O ASN A 41 -9.407 3.714 6.380 1.00 0.77 O ATOM 661 CB ASN A 41 -7.047 3.734 7.913 1.00 1.20 C ATOM 662 CG ASN A 41 -6.526 3.080 9.193 1.00 1.51 C ATOM 663 OD1 ASN A 41 -7.034 2.062 9.620 1.00 2.06 O ATOM 664 ND2 ASN A 41 -5.526 3.626 9.830 1.00 1.86 N ATOM 0 H ASN A 41 -5.661 1.509 6.104 1.00 1.00 H new ATOM 0 HA ASN A 41 -7.578 1.721 7.349 1.00 1.02 H new ATOM 0 HB2 ASN A 41 -6.322 4.457 7.540 1.00 1.20 H new ATOM 0 HB3 ASN A 41 -7.966 4.282 8.120 1.00 1.20 H new ATOM 0 HD21 ASN A 41 -5.172 3.198 10.685 1.00 1.86 H new ATOM 0 HD22 ASN A 41 -5.099 4.480 9.472 1.00 1.86 H new ATOM 671 N LYS A 42 -8.361 2.799 4.667 1.00 0.89 N ATOM 672 CA LYS A 42 -9.434 3.199 3.711 1.00 0.69 C ATOM 673 C LYS A 42 -10.002 1.943 3.050 1.00 0.70 C ATOM 674 O LYS A 42 -9.268 1.051 2.666 1.00 1.29 O ATOM 675 CB LYS A 42 -8.837 4.118 2.641 1.00 0.58 C ATOM 676 CG LYS A 42 -9.956 4.756 1.812 1.00 0.54 C ATOM 677 CD LYS A 42 -10.811 5.658 2.708 1.00 0.83 C ATOM 678 CE LYS A 42 -11.352 6.830 1.886 1.00 1.42 C ATOM 679 NZ LYS A 42 -11.555 8.007 2.776 1.00 2.04 N ATOM 0 H LYS A 42 -7.583 2.288 4.250 1.00 0.89 H new ATOM 0 HA LYS A 42 -10.228 3.726 4.239 1.00 0.69 H new ATOM 0 HB2 LYS A 42 -8.235 4.895 3.112 1.00 0.58 H new ATOM 0 HB3 LYS A 42 -8.172 3.549 1.992 1.00 0.58 H new ATOM 0 HG2 LYS A 42 -9.530 5.338 0.994 1.00 0.54 H new ATOM 0 HG3 LYS A 42 -10.576 3.981 1.362 1.00 0.54 H new ATOM 0 HD2 LYS A 42 -11.636 5.088 3.134 1.00 0.83 H new ATOM 0 HD3 LYS A 42 -10.216 6.029 3.542 1.00 0.83 H new ATOM 0 HE2 LYS A 42 -10.654 7.081 1.087 1.00 1.42 H new ATOM 0 HE3 LYS A 42 -12.293 6.552 1.412 1.00 1.42 H new ATOM 0 HZ1 LYS A 42 -11.923 8.804 2.219 1.00 2.04 H new ATOM 0 HZ2 LYS A 42 -12.236 7.764 3.523 1.00 2.04 H new ATOM 0 HZ3 LYS A 42 -10.648 8.276 3.208 1.00 2.04 H new ATOM 693 N VAL A 43 -11.302 1.861 2.924 1.00 0.79 N ATOM 694 CA VAL A 43 -11.920 0.657 2.296 1.00 0.77 C ATOM 695 C VAL A 43 -12.490 1.028 0.926 1.00 0.83 C ATOM 696 O VAL A 43 -12.928 2.143 0.708 1.00 1.08 O ATOM 697 CB VAL A 43 -13.045 0.134 3.192 1.00 1.03 C ATOM 698 CG1 VAL A 43 -13.561 -1.195 2.639 1.00 1.10 C ATOM 699 CG2 VAL A 43 -12.511 -0.075 4.612 1.00 1.23 C ATOM 0 H VAL A 43 -11.961 2.577 3.229 1.00 0.79 H new ATOM 0 HA VAL A 43 -11.162 -0.117 2.175 1.00 0.77 H new ATOM 0 HB VAL A 43 -13.859 0.858 3.214 1.00 1.03 H new ATOM 0 HG11 VAL A 43 -14.362 -1.568 3.277 1.00 1.10 H new ATOM 0 HG12 VAL A 43 -13.941 -1.045 1.629 1.00 1.10 H new ATOM 0 HG13 VAL A 43 -12.748 -1.920 2.617 1.00 1.10 H new ATOM 0 HG21 VAL A 43 -13.312 -0.448 5.251 1.00 1.23 H new ATOM 0 HG22 VAL A 43 -11.697 -0.799 4.592 1.00 1.23 H new ATOM 0 HG23 VAL A 43 -12.144 0.873 5.006 1.00 1.23 H new ATOM 709 N ASN A 44 -12.490 0.099 0.004 1.00 0.88 N ATOM 710 CA ASN A 44 -13.032 0.386 -1.356 1.00 1.13 C ATOM 711 C ASN A 44 -14.057 -0.691 -1.730 1.00 1.38 C ATOM 712 O ASN A 44 -13.833 -1.500 -2.612 1.00 1.73 O ATOM 713 CB ASN A 44 -11.886 0.387 -2.372 1.00 1.29 C ATOM 714 CG ASN A 44 -12.334 1.104 -3.647 1.00 1.61 C ATOM 715 OD1 ASN A 44 -13.509 1.150 -3.951 1.00 2.05 O ATOM 716 ND2 ASN A 44 -11.440 1.671 -4.411 1.00 1.89 N ATOM 0 H ASN A 44 -12.136 -0.849 0.136 1.00 0.88 H new ATOM 0 HA ASN A 44 -13.516 1.363 -1.361 1.00 1.13 H new ATOM 0 HB2 ASN A 44 -11.013 0.884 -1.950 1.00 1.29 H new ATOM 0 HB3 ASN A 44 -11.590 -0.636 -2.603 1.00 1.29 H new ATOM 0 HD21 ASN A 44 -11.728 2.152 -5.263 1.00 1.89 H new ATOM 0 HD22 ASN A 44 -10.453 1.633 -4.156 1.00 1.89 H new ATOM 723 N TYR A 45 -15.180 -0.705 -1.059 1.00 1.58 N ATOM 724 CA TYR A 45 -16.228 -1.724 -1.362 1.00 1.86 C ATOM 725 C TYR A 45 -16.755 -1.509 -2.782 1.00 2.22 C ATOM 726 O TYR A 45 -17.346 -0.489 -3.085 1.00 2.52 O ATOM 727 CB TYR A 45 -17.379 -1.584 -0.363 1.00 2.01 C ATOM 728 CG TYR A 45 -16.965 -2.164 0.968 1.00 1.88 C ATOM 729 CD1 TYR A 45 -16.722 -3.538 1.088 1.00 1.96 C ATOM 730 CD2 TYR A 45 -16.824 -1.329 2.083 1.00 2.01 C ATOM 731 CE1 TYR A 45 -16.338 -4.076 2.322 1.00 2.09 C ATOM 732 CE2 TYR A 45 -16.440 -1.867 3.317 1.00 2.11 C ATOM 733 CZ TYR A 45 -16.198 -3.240 3.437 1.00 2.11 C ATOM 734 OH TYR A 45 -15.819 -3.772 4.653 1.00 2.41 O ATOM 0 H TYR A 45 -15.417 -0.052 -0.312 1.00 1.58 H new ATOM 0 HA TYR A 45 -15.797 -2.722 -1.283 1.00 1.86 H new ATOM 0 HB2 TYR A 45 -17.647 -0.534 -0.246 1.00 2.01 H new ATOM 0 HB3 TYR A 45 -18.264 -2.100 -0.737 1.00 2.01 H new ATOM 0 HD1 TYR A 45 -16.831 -4.183 0.228 1.00 1.96 H new ATOM 0 HD2 TYR A 45 -17.012 -0.269 1.991 1.00 2.01 H new ATOM 0 HE1 TYR A 45 -16.150 -5.135 2.414 1.00 2.09 H new ATOM 0 HE2 TYR A 45 -16.331 -1.222 4.177 1.00 2.11 H new ATOM 0 HH TYR A 45 -15.767 -3.057 5.321 1.00 2.41 H new ATOM 744 N ASN A 46 -16.545 -2.464 -3.651 1.00 2.70 N ATOM 745 CA ASN A 46 -17.030 -2.326 -5.056 1.00 3.13 C ATOM 746 C ASN A 46 -17.607 -3.662 -5.528 1.00 3.54 C ATOM 747 O ASN A 46 -17.550 -3.993 -6.697 1.00 4.01 O ATOM 748 CB ASN A 46 -15.862 -1.926 -5.961 1.00 3.48 C ATOM 749 CG ASN A 46 -16.397 -1.174 -7.182 1.00 3.78 C ATOM 750 OD1 ASN A 46 -17.142 -0.223 -7.045 1.00 4.16 O ATOM 751 ND2 ASN A 46 -16.046 -1.561 -8.377 1.00 4.14 N ATOM 0 H ASN A 46 -16.057 -3.336 -3.447 1.00 2.70 H new ATOM 0 HA ASN A 46 -17.804 -1.559 -5.101 1.00 3.13 H new ATOM 0 HB2 ASN A 46 -15.161 -1.297 -5.412 1.00 3.48 H new ATOM 0 HB3 ASN A 46 -15.314 -2.813 -6.278 1.00 3.48 H new ATOM 0 HD21 ASN A 46 -16.397 -1.066 -9.197 1.00 4.14 H new ATOM 0 HD22 ASN A 46 -15.421 -2.359 -8.492 1.00 4.14 H new ATOM 758 N GLY A 47 -18.164 -4.429 -4.625 1.00 3.81 N ATOM 759 CA GLY A 47 -18.749 -5.746 -5.011 1.00 4.47 C ATOM 760 C GLY A 47 -18.580 -6.737 -3.858 1.00 4.67 C ATOM 761 O GLY A 47 -17.872 -7.720 -3.973 1.00 5.33 O ATOM 0 H GLY A 47 -18.238 -4.198 -3.634 1.00 3.81 H new ATOM 0 HA2 GLY A 47 -19.805 -5.630 -5.253 1.00 4.47 H new ATOM 0 HA3 GLY A 47 -18.257 -6.126 -5.906 1.00 4.47 H new ATOM 765 N PHE A 48 -19.228 -6.485 -2.749 1.00 4.36 N ATOM 766 CA PHE A 48 -19.111 -7.406 -1.580 1.00 4.72 C ATOM 767 C PHE A 48 -20.425 -8.171 -1.399 1.00 5.03 C ATOM 768 O PHE A 48 -21.488 -7.680 -1.730 1.00 5.09 O ATOM 769 CB PHE A 48 -18.813 -6.595 -0.315 1.00 4.48 C ATOM 770 CG PHE A 48 -19.850 -5.510 -0.152 1.00 4.07 C ATOM 771 CD1 PHE A 48 -21.054 -5.785 0.509 1.00 4.36 C ATOM 772 CD2 PHE A 48 -19.608 -4.228 -0.660 1.00 3.80 C ATOM 773 CE1 PHE A 48 -22.015 -4.778 0.661 1.00 4.58 C ATOM 774 CE2 PHE A 48 -20.569 -3.222 -0.508 1.00 3.95 C ATOM 775 CZ PHE A 48 -21.772 -3.497 0.152 1.00 4.44 C ATOM 0 H PHE A 48 -19.835 -5.678 -2.603 1.00 4.36 H new ATOM 0 HA PHE A 48 -18.300 -8.113 -1.756 1.00 4.72 H new ATOM 0 HB2 PHE A 48 -18.816 -7.249 0.557 1.00 4.48 H new ATOM 0 HB3 PHE A 48 -17.818 -6.154 -0.380 1.00 4.48 H new ATOM 0 HD1 PHE A 48 -21.241 -6.774 0.901 1.00 4.36 H new ATOM 0 HD2 PHE A 48 -18.680 -4.015 -1.169 1.00 3.80 H new ATOM 0 HE1 PHE A 48 -22.943 -4.990 1.171 1.00 4.58 H new ATOM 0 HE2 PHE A 48 -20.382 -2.233 -0.900 1.00 3.95 H new ATOM 0 HZ PHE A 48 -22.513 -2.720 0.269 1.00 4.44 H new ATOM 785 N SER A 49 -20.357 -9.368 -0.876 1.00 5.59 N ATOM 786 CA SER A 49 -21.596 -10.174 -0.669 1.00 6.16 C ATOM 787 C SER A 49 -21.240 -11.487 0.032 1.00 6.33 C ATOM 788 O SER A 49 -20.398 -12.235 -0.428 1.00 6.83 O ATOM 789 CB SER A 49 -22.240 -10.475 -2.022 1.00 6.83 C ATOM 790 OG SER A 49 -23.155 -9.437 -2.348 1.00 7.18 O ATOM 0 H SER A 49 -19.493 -9.823 -0.582 1.00 5.59 H new ATOM 0 HA SER A 49 -22.296 -9.612 -0.051 1.00 6.16 H new ATOM 0 HB2 SER A 49 -21.473 -10.555 -2.793 1.00 6.83 H new ATOM 0 HB3 SER A 49 -22.757 -11.434 -1.986 1.00 6.83 H new ATOM 0 HG SER A 49 -22.676 -8.584 -2.404 1.00 7.18 H new ATOM 796 N GLY A 50 -21.877 -11.769 1.140 1.00 6.17 N ATOM 797 CA GLY A 50 -21.583 -13.032 1.878 1.00 6.51 C ATOM 798 C GLY A 50 -20.362 -12.829 2.775 1.00 6.19 C ATOM 799 O GLY A 50 -20.468 -12.317 3.874 1.00 6.37 O ATOM 0 H GLY A 50 -22.590 -11.176 1.566 1.00 6.17 H new ATOM 0 HA2 GLY A 50 -22.444 -13.323 2.479 1.00 6.51 H new ATOM 0 HA3 GLY A 50 -21.398 -13.843 1.173 1.00 6.51 H new ATOM 803 N SER A 51 -19.203 -13.227 2.314 1.00 6.03 N ATOM 804 CA SER A 51 -17.967 -13.062 3.133 1.00 5.96 C ATOM 805 C SER A 51 -17.514 -11.601 3.084 1.00 5.30 C ATOM 806 O SER A 51 -17.387 -11.019 2.023 1.00 5.42 O ATOM 807 CB SER A 51 -16.861 -13.958 2.574 1.00 6.61 C ATOM 808 OG SER A 51 -17.329 -15.299 2.514 1.00 7.20 O ATOM 0 H SER A 51 -19.061 -13.661 1.402 1.00 6.03 H new ATOM 0 HA SER A 51 -18.175 -13.344 4.165 1.00 5.96 H new ATOM 0 HB2 SER A 51 -16.569 -13.618 1.581 1.00 6.61 H new ATOM 0 HB3 SER A 51 -15.974 -13.898 3.205 1.00 6.61 H new ATOM 0 HG SER A 51 -16.623 -15.876 2.154 1.00 7.20 H new ATOM 814 N ALA A 52 -17.270 -11.009 4.225 1.00 4.94 N ATOM 815 CA ALA A 52 -16.824 -9.586 4.256 1.00 4.61 C ATOM 816 C ALA A 52 -15.421 -9.477 3.654 1.00 4.20 C ATOM 817 O ALA A 52 -14.437 -9.801 4.292 1.00 4.64 O ATOM 818 CB ALA A 52 -16.797 -9.090 5.703 1.00 5.08 C ATOM 0 H ALA A 52 -17.361 -11.453 5.139 1.00 4.94 H new ATOM 0 HA ALA A 52 -17.517 -8.977 3.676 1.00 4.61 H new ATOM 0 HB1 ALA A 52 -16.471 -8.050 5.725 1.00 5.08 H new ATOM 0 HB2 ALA A 52 -17.796 -9.166 6.133 1.00 5.08 H new ATOM 0 HB3 ALA A 52 -16.105 -9.700 6.284 1.00 5.08 H new ATOM 824 N GLY A 53 -15.325 -9.024 2.430 1.00 3.82 N ATOM 825 CA GLY A 53 -13.991 -8.892 1.776 1.00 3.86 C ATOM 826 C GLY A 53 -13.181 -7.804 2.483 1.00 3.07 C ATOM 827 O GLY A 53 -12.484 -8.064 3.446 1.00 3.08 O ATOM 0 H GLY A 53 -16.117 -8.739 1.854 1.00 3.82 H new ATOM 0 HA2 GLY A 53 -13.458 -9.842 1.818 1.00 3.86 H new ATOM 0 HA3 GLY A 53 -14.114 -8.642 0.722 1.00 3.86 H new ATOM 831 N GLY A 54 -13.267 -6.587 2.009 1.00 2.85 N ATOM 832 CA GLY A 54 -12.505 -5.473 2.645 1.00 2.20 C ATOM 833 C GLY A 54 -11.020 -5.609 2.304 1.00 1.94 C ATOM 834 O GLY A 54 -10.482 -6.700 2.261 1.00 2.27 O ATOM 0 H GLY A 54 -13.835 -6.317 1.206 1.00 2.85 H new ATOM 0 HA2 GLY A 54 -12.883 -4.513 2.294 1.00 2.20 H new ATOM 0 HA3 GLY A 54 -12.644 -5.494 3.726 1.00 2.20 H new ATOM 838 N LEU A 55 -10.355 -4.508 2.060 1.00 1.64 N ATOM 839 CA LEU A 55 -8.903 -4.562 1.720 1.00 1.42 C ATOM 840 C LEU A 55 -8.096 -3.853 2.811 1.00 1.06 C ATOM 841 O LEU A 55 -7.467 -4.481 3.639 1.00 1.72 O ATOM 842 CB LEU A 55 -8.669 -3.862 0.377 1.00 1.61 C ATOM 843 CG LEU A 55 -9.089 -4.783 -0.769 1.00 2.34 C ATOM 844 CD1 LEU A 55 -10.604 -4.983 -0.735 1.00 2.85 C ATOM 845 CD2 LEU A 55 -8.690 -4.144 -2.101 1.00 2.73 C ATOM 0 H LEU A 55 -10.758 -3.571 2.082 1.00 1.64 H new ATOM 0 HA LEU A 55 -8.584 -5.602 1.650 1.00 1.42 H new ATOM 0 HB2 LEU A 55 -9.239 -2.934 0.337 1.00 1.61 H new ATOM 0 HB3 LEU A 55 -7.617 -3.595 0.274 1.00 1.61 H new ATOM 0 HG LEU A 55 -8.594 -5.748 -0.662 1.00 2.34 H new ATOM 0 HD11 LEU A 55 -10.903 -5.640 -1.552 1.00 2.85 H new ATOM 0 HD12 LEU A 55 -10.890 -5.433 0.215 1.00 2.85 H new ATOM 0 HD13 LEU A 55 -11.101 -4.019 -0.844 1.00 2.85 H new ATOM 0 HD21 LEU A 55 -8.987 -4.797 -2.921 1.00 2.73 H new ATOM 0 HD22 LEU A 55 -9.188 -3.180 -2.206 1.00 2.73 H new ATOM 0 HD23 LEU A 55 -7.610 -3.999 -2.126 1.00 2.73 H new ATOM 857 N ASN A 56 -8.110 -2.540 2.811 1.00 0.56 N ATOM 858 CA ASN A 56 -7.347 -1.761 3.840 1.00 0.87 C ATOM 859 C ASN A 56 -5.832 -1.954 3.647 1.00 0.78 C ATOM 860 O ASN A 56 -5.047 -1.559 4.488 1.00 1.24 O ATOM 861 CB ASN A 56 -7.741 -2.215 5.254 1.00 1.52 C ATOM 862 CG ASN A 56 -9.266 -2.325 5.374 1.00 1.70 C ATOM 863 OD1 ASN A 56 -9.991 -1.921 4.485 1.00 1.90 O ATOM 864 ND2 ASN A 56 -9.786 -2.861 6.445 1.00 2.20 N ATOM 0 H ASN A 56 -8.621 -1.970 2.137 1.00 0.56 H new ATOM 0 HA ASN A 56 -7.592 -0.706 3.718 1.00 0.87 H new ATOM 0 HB2 ASN A 56 -7.282 -3.179 5.475 1.00 1.52 H new ATOM 0 HB3 ASN A 56 -7.362 -1.505 5.990 1.00 1.52 H new ATOM 0 HD21 ASN A 56 -10.799 -2.940 6.535 1.00 2.20 H new ATOM 0 HD22 ASN A 56 -9.179 -3.200 7.191 1.00 2.20 H new ATOM 871 N THR A 57 -5.413 -2.539 2.546 1.00 0.38 N ATOM 872 CA THR A 57 -3.953 -2.739 2.300 1.00 0.25 C ATOM 873 C THR A 57 -3.719 -2.841 0.792 1.00 0.21 C ATOM 874 O THR A 57 -4.388 -3.591 0.106 1.00 0.31 O ATOM 875 CB THR A 57 -3.475 -4.032 2.977 1.00 0.31 C ATOM 876 OG1 THR A 57 -4.138 -5.144 2.391 1.00 0.46 O ATOM 877 CG2 THR A 57 -3.788 -3.981 4.472 1.00 0.47 C ATOM 0 H THR A 57 -6.025 -2.886 1.807 1.00 0.38 H new ATOM 0 HA THR A 57 -3.396 -1.898 2.713 1.00 0.25 H new ATOM 0 HB THR A 57 -2.398 -4.134 2.840 1.00 0.31 H new ATOM 0 HG1 THR A 57 -4.400 -4.922 1.473 1.00 0.46 H new ATOM 0 HG21 THR A 57 -3.447 -4.901 4.947 1.00 0.47 H new ATOM 0 HG22 THR A 57 -3.278 -3.129 4.922 1.00 0.47 H new ATOM 0 HG23 THR A 57 -4.863 -3.876 4.615 1.00 0.47 H new ATOM 885 N ASN A 58 -2.781 -2.092 0.273 1.00 0.20 N ATOM 886 CA ASN A 58 -2.509 -2.143 -1.194 1.00 0.20 C ATOM 887 C ASN A 58 -1.081 -2.638 -1.439 1.00 0.20 C ATOM 888 O ASN A 58 -0.146 -2.212 -0.789 1.00 0.42 O ATOM 889 CB ASN A 58 -2.686 -0.746 -1.805 1.00 0.23 C ATOM 890 CG ASN A 58 -3.971 -0.704 -2.640 1.00 0.71 C ATOM 891 OD1 ASN A 58 -4.926 -1.393 -2.340 1.00 1.57 O ATOM 892 ND2 ASN A 58 -4.033 0.081 -3.681 1.00 1.31 N ATOM 0 H ASN A 58 -2.192 -1.448 0.801 1.00 0.20 H new ATOM 0 HA ASN A 58 -3.212 -2.830 -1.664 1.00 0.20 H new ATOM 0 HB2 ASN A 58 -2.730 0.004 -1.015 1.00 0.23 H new ATOM 0 HB3 ASN A 58 -1.827 -0.501 -2.430 1.00 0.23 H new ATOM 0 HD21 ASN A 58 -4.883 0.116 -4.243 1.00 1.31 H new ATOM 0 HD22 ASN A 58 -3.231 0.659 -3.932 1.00 1.31 H new ATOM 899 N ASN A 59 -0.913 -3.534 -2.378 1.00 0.20 N ATOM 900 CA ASN A 59 0.447 -4.066 -2.682 1.00 0.19 C ATOM 901 C ASN A 59 1.268 -2.984 -3.387 1.00 0.18 C ATOM 902 O ASN A 59 0.735 -2.174 -4.121 1.00 0.32 O ATOM 903 CB ASN A 59 0.325 -5.287 -3.595 1.00 0.23 C ATOM 904 CG ASN A 59 -0.452 -6.389 -2.873 1.00 1.11 C ATOM 905 OD1 ASN A 59 -1.646 -6.279 -2.676 1.00 2.07 O ATOM 906 ND2 ASN A 59 0.180 -7.457 -2.466 1.00 1.61 N ATOM 0 H ASN A 59 -1.664 -3.921 -2.949 1.00 0.20 H new ATOM 0 HA ASN A 59 0.941 -4.354 -1.754 1.00 0.19 H new ATOM 0 HB2 ASN A 59 -0.185 -5.014 -4.519 1.00 0.23 H new ATOM 0 HB3 ASN A 59 1.316 -5.648 -3.872 1.00 0.23 H new ATOM 0 HD21 ASN A 59 -0.329 -8.198 -1.983 1.00 1.61 H new ATOM 0 HD22 ASN A 59 1.182 -7.550 -2.631 1.00 1.61 H new ATOM 913 N PHE A 60 2.559 -2.974 -3.173 1.00 0.14 N ATOM 914 CA PHE A 60 3.429 -1.956 -3.829 1.00 0.11 C ATOM 915 C PHE A 60 4.868 -2.473 -3.869 1.00 0.11 C ATOM 916 O PHE A 60 5.327 -3.132 -2.952 1.00 0.17 O ATOM 917 CB PHE A 60 3.384 -0.647 -3.034 1.00 0.14 C ATOM 918 CG PHE A 60 2.075 0.058 -3.296 1.00 0.12 C ATOM 919 CD1 PHE A 60 1.686 0.348 -4.611 1.00 0.16 C ATOM 920 CD2 PHE A 60 1.248 0.416 -2.226 1.00 0.14 C ATOM 921 CE1 PHE A 60 0.469 0.996 -4.854 1.00 0.17 C ATOM 922 CE2 PHE A 60 0.032 1.066 -2.469 1.00 0.16 C ATOM 923 CZ PHE A 60 -0.358 1.354 -3.783 1.00 0.16 C ATOM 0 H PHE A 60 3.049 -3.632 -2.568 1.00 0.14 H new ATOM 0 HA PHE A 60 3.072 -1.775 -4.843 1.00 0.11 H new ATOM 0 HB2 PHE A 60 3.492 -0.852 -1.969 1.00 0.14 H new ATOM 0 HB3 PHE A 60 4.218 -0.006 -3.321 1.00 0.14 H new ATOM 0 HD1 PHE A 60 2.325 0.072 -5.437 1.00 0.16 H new ATOM 0 HD2 PHE A 60 1.547 0.191 -1.213 1.00 0.14 H new ATOM 0 HE1 PHE A 60 0.169 1.219 -5.867 1.00 0.17 H new ATOM 0 HE2 PHE A 60 -0.605 1.345 -1.643 1.00 0.16 H new ATOM 0 HZ PHE A 60 -1.298 1.853 -3.970 1.00 0.16 H new ATOM 933 N ALA A 61 5.581 -2.176 -4.923 1.00 0.10 N ATOM 934 CA ALA A 61 6.995 -2.639 -5.032 1.00 0.12 C ATOM 935 C ALA A 61 7.883 -1.721 -4.190 1.00 0.13 C ATOM 936 O ALA A 61 7.477 -0.642 -3.800 1.00 0.17 O ATOM 937 CB ALA A 61 7.442 -2.581 -6.494 1.00 0.15 C ATOM 0 H ALA A 61 5.243 -1.631 -5.716 1.00 0.10 H new ATOM 0 HA ALA A 61 7.076 -3.665 -4.673 1.00 0.12 H new ATOM 0 HB1 ALA A 61 8.475 -2.919 -6.572 1.00 0.15 H new ATOM 0 HB2 ALA A 61 6.802 -3.226 -7.096 1.00 0.15 H new ATOM 0 HB3 ALA A 61 7.368 -1.556 -6.857 1.00 0.15 H new ATOM 943 N GLU A 62 9.091 -2.139 -3.909 1.00 0.13 N ATOM 944 CA GLU A 62 10.011 -1.292 -3.091 1.00 0.16 C ATOM 945 C GLU A 62 10.275 0.030 -3.818 1.00 0.15 C ATOM 946 O GLU A 62 10.180 1.097 -3.239 1.00 0.17 O ATOM 947 CB GLU A 62 11.334 -2.031 -2.881 1.00 0.19 C ATOM 948 CG GLU A 62 11.058 -3.416 -2.292 1.00 0.24 C ATOM 949 CD GLU A 62 12.359 -4.007 -1.746 1.00 0.94 C ATOM 950 OE1 GLU A 62 13.230 -4.311 -2.544 1.00 1.62 O ATOM 951 OE2 GLU A 62 12.462 -4.147 -0.538 1.00 1.72 O ATOM 0 H GLU A 62 9.480 -3.032 -4.211 1.00 0.13 H new ATOM 0 HA GLU A 62 9.551 -1.088 -2.124 1.00 0.16 H new ATOM 0 HB2 GLU A 62 11.864 -2.126 -3.829 1.00 0.19 H new ATOM 0 HB3 GLU A 62 11.979 -1.461 -2.211 1.00 0.19 H new ATOM 0 HG2 GLU A 62 10.317 -3.343 -1.496 1.00 0.24 H new ATOM 0 HG3 GLU A 62 10.641 -4.072 -3.057 1.00 0.24 H new ATOM 958 N HIS A 63 10.604 -0.036 -5.083 1.00 0.15 N ATOM 959 CA HIS A 63 10.875 1.210 -5.860 1.00 0.17 C ATOM 960 C HIS A 63 9.579 2.009 -6.057 1.00 0.15 C ATOM 961 O HIS A 63 9.613 3.182 -6.379 1.00 0.16 O ATOM 962 CB HIS A 63 11.458 0.841 -7.228 1.00 0.20 C ATOM 963 CG HIS A 63 10.539 -0.127 -7.924 1.00 0.19 C ATOM 964 ND1 HIS A 63 10.892 -1.446 -8.155 1.00 0.23 N ATOM 965 CD2 HIS A 63 9.276 0.020 -8.444 1.00 0.23 C ATOM 966 CE1 HIS A 63 9.863 -2.037 -8.789 1.00 0.21 C ATOM 967 NE2 HIS A 63 8.852 -1.187 -8.990 1.00 0.22 N ATOM 0 H HIS A 63 10.697 -0.903 -5.613 1.00 0.15 H new ATOM 0 HA HIS A 63 11.587 1.822 -5.307 1.00 0.17 H new ATOM 0 HB2 HIS A 63 11.585 1.738 -7.834 1.00 0.20 H new ATOM 0 HB3 HIS A 63 12.446 0.397 -7.106 1.00 0.20 H new ATOM 0 HD2 HIS A 63 8.700 0.934 -8.431 1.00 0.23 H new ATOM 0 HE1 HIS A 63 9.855 -3.072 -9.098 1.00 0.21 H new ATOM 0 HE2 HIS A 63 7.961 -1.381 -9.446 1.00 0.22 H new ATOM 975 N GLU A 64 8.438 1.388 -5.872 1.00 0.12 N ATOM 976 CA GLU A 64 7.145 2.114 -6.054 1.00 0.11 C ATOM 977 C GLU A 64 6.835 2.962 -4.812 1.00 0.11 C ATOM 978 O GLU A 64 6.056 3.895 -4.873 1.00 0.20 O ATOM 979 CB GLU A 64 6.019 1.100 -6.268 1.00 0.12 C ATOM 980 CG GLU A 64 5.927 0.746 -7.753 1.00 0.24 C ATOM 981 CD GLU A 64 4.540 0.176 -8.058 1.00 0.38 C ATOM 982 OE1 GLU A 64 4.020 -0.542 -7.221 1.00 1.18 O ATOM 983 OE2 GLU A 64 4.022 0.469 -9.122 1.00 1.18 O ATOM 0 H GLU A 64 8.349 0.408 -5.602 1.00 0.12 H new ATOM 0 HA GLU A 64 7.224 2.768 -6.922 1.00 0.11 H new ATOM 0 HB2 GLU A 64 6.208 0.202 -5.680 1.00 0.12 H new ATOM 0 HB3 GLU A 64 5.072 1.514 -5.923 1.00 0.12 H new ATOM 0 HG2 GLU A 64 6.109 1.632 -8.361 1.00 0.24 H new ATOM 0 HG3 GLU A 64 6.696 0.018 -8.012 1.00 0.24 H new ATOM 990 N LEU A 65 7.435 2.645 -3.689 1.00 0.13 N ATOM 991 CA LEU A 65 7.170 3.433 -2.449 1.00 0.12 C ATOM 992 C LEU A 65 8.319 4.415 -2.212 1.00 0.13 C ATOM 993 O LEU A 65 9.457 4.145 -2.547 1.00 0.16 O ATOM 994 CB LEU A 65 7.061 2.485 -1.252 1.00 0.13 C ATOM 995 CG LEU A 65 6.001 1.418 -1.530 1.00 0.14 C ATOM 996 CD1 LEU A 65 6.293 0.177 -0.684 1.00 0.19 C ATOM 997 CD2 LEU A 65 4.620 1.966 -1.167 1.00 0.15 C ATOM 0 H LEU A 65 8.095 1.875 -3.580 1.00 0.13 H new ATOM 0 HA LEU A 65 6.236 3.983 -2.565 1.00 0.12 H new ATOM 0 HB2 LEU A 65 8.025 2.012 -1.062 1.00 0.13 H new ATOM 0 HB3 LEU A 65 6.799 3.046 -0.355 1.00 0.13 H new ATOM 0 HG LEU A 65 6.022 1.152 -2.587 1.00 0.14 H new ATOM 0 HD11 LEU A 65 5.538 -0.584 -0.882 1.00 0.19 H new ATOM 0 HD12 LEU A 65 7.278 -0.214 -0.940 1.00 0.19 H new ATOM 0 HD13 LEU A 65 6.272 0.444 0.373 1.00 0.19 H new ATOM 0 HD21 LEU A 65 3.864 1.206 -1.365 1.00 0.15 H new ATOM 0 HD22 LEU A 65 4.600 2.231 -0.110 1.00 0.15 H new ATOM 0 HD23 LEU A 65 4.411 2.851 -1.767 1.00 0.15 H new ATOM 1009 N GLU A 66 8.027 5.552 -1.631 1.00 0.14 N ATOM 1010 CA GLU A 66 9.094 6.559 -1.363 1.00 0.16 C ATOM 1011 C GLU A 66 9.193 6.800 0.145 1.00 0.14 C ATOM 1012 O GLU A 66 8.478 7.612 0.700 1.00 0.17 O ATOM 1013 CB GLU A 66 8.747 7.871 -2.068 1.00 0.23 C ATOM 1014 CG GLU A 66 9.941 8.825 -1.989 1.00 0.30 C ATOM 1015 CD GLU A 66 9.834 9.871 -3.100 1.00 1.25 C ATOM 1016 OE1 GLU A 66 8.805 10.521 -3.178 1.00 1.97 O ATOM 1017 OE2 GLU A 66 10.784 10.004 -3.854 1.00 2.05 O ATOM 0 H GLU A 66 7.091 5.825 -1.330 1.00 0.14 H new ATOM 0 HA GLU A 66 10.048 6.189 -1.738 1.00 0.16 H new ATOM 0 HB2 GLU A 66 8.490 7.679 -3.110 1.00 0.23 H new ATOM 0 HB3 GLU A 66 7.873 8.326 -1.602 1.00 0.23 H new ATOM 0 HG2 GLU A 66 9.965 9.315 -1.015 1.00 0.30 H new ATOM 0 HG3 GLU A 66 10.872 8.268 -2.088 1.00 0.30 H new ATOM 1024 N VAL A 67 10.076 6.097 0.811 1.00 0.15 N ATOM 1025 CA VAL A 67 10.229 6.273 2.289 1.00 0.18 C ATOM 1026 C VAL A 67 10.579 7.731 2.604 1.00 0.20 C ATOM 1027 O VAL A 67 11.686 8.178 2.365 1.00 0.29 O ATOM 1028 CB VAL A 67 11.349 5.361 2.797 1.00 0.24 C ATOM 1029 CG1 VAL A 67 11.407 5.424 4.324 1.00 0.29 C ATOM 1030 CG2 VAL A 67 11.071 3.921 2.358 1.00 0.28 C ATOM 0 H VAL A 67 10.700 5.406 0.393 1.00 0.15 H new ATOM 0 HA VAL A 67 9.292 6.013 2.781 1.00 0.18 H new ATOM 0 HB VAL A 67 12.302 5.692 2.383 1.00 0.24 H new ATOM 0 HG11 VAL A 67 12.204 4.775 4.685 1.00 0.29 H new ATOM 0 HG12 VAL A 67 11.603 6.449 4.639 1.00 0.29 H new ATOM 0 HG13 VAL A 67 10.454 5.093 4.738 1.00 0.29 H new ATOM 0 HG21 VAL A 67 11.868 3.270 2.719 1.00 0.28 H new ATOM 0 HG22 VAL A 67 10.118 3.592 2.772 1.00 0.28 H new ATOM 0 HG23 VAL A 67 11.029 3.874 1.270 1.00 0.28 H new ATOM 1040 N VAL A 68 9.642 8.472 3.139 1.00 0.22 N ATOM 1041 CA VAL A 68 9.908 9.901 3.474 1.00 0.28 C ATOM 1042 C VAL A 68 9.950 10.069 4.995 1.00 0.31 C ATOM 1043 O VAL A 68 9.604 11.111 5.521 1.00 0.73 O ATOM 1044 CB VAL A 68 8.796 10.777 2.894 1.00 0.34 C ATOM 1045 CG1 VAL A 68 8.849 10.727 1.366 1.00 0.40 C ATOM 1046 CG2 VAL A 68 7.437 10.259 3.371 1.00 0.38 C ATOM 0 H VAL A 68 8.701 8.146 3.358 1.00 0.22 H new ATOM 0 HA VAL A 68 10.866 10.202 3.049 1.00 0.28 H new ATOM 0 HB VAL A 68 8.934 11.805 3.230 1.00 0.34 H new ATOM 0 HG11 VAL A 68 8.056 11.351 0.954 1.00 0.40 H new ATOM 0 HG12 VAL A 68 9.816 11.095 1.023 1.00 0.40 H new ATOM 0 HG13 VAL A 68 8.712 9.699 1.031 1.00 0.40 H new ATOM 0 HG21 VAL A 68 6.644 10.883 2.958 1.00 0.38 H new ATOM 0 HG22 VAL A 68 7.301 9.231 3.036 1.00 0.38 H new ATOM 0 HG23 VAL A 68 7.396 10.294 4.460 1.00 0.38 H new ATOM 1056 N GLY A 69 10.373 9.052 5.701 1.00 0.47 N ATOM 1057 CA GLY A 69 10.440 9.143 7.189 1.00 0.46 C ATOM 1058 C GLY A 69 11.737 9.842 7.601 1.00 1.48 C ATOM 1059 O GLY A 69 12.539 10.124 6.725 1.00 2.19 O ATOM 1060 OXT GLY A 69 11.907 10.084 8.784 1.00 2.21 O ATOM 0 H GLY A 69 10.676 8.160 5.309 1.00 0.47 H new ATOM 0 HA2 GLY A 69 9.581 9.695 7.569 1.00 0.46 H new ATOM 0 HA3 GLY A 69 10.397 8.146 7.627 1.00 0.46 H new TER 1064 GLY A 69 END