USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) HEADER RNA-BINDING PROTEIN 26-MAY-99 1U2F TITLE SOLUTION STRUCTURE OF THE FIRST RNA-BINDING DOMAIN OF TITLE 2 HU2AF65 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (SPLICING FACTOR U2AF 65 KD SUBUNIT); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FIRST RNA-BINDING DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PK7 KEYWDS SPLICING, U2 SNRNP, RBD, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, STRUCTURAL GENOMICS, KEYWDS 3 RNA-BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR T.ITO,Y.MUTO,M.R.GREEN,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 24-FEB-09 1U2F 1 VERSN REVDAT 2 01-APR-03 1U2F 1 JRNL REVDAT 1 20-AUG-99 1U2F 0 JRNL AUTH T.ITO,Y.MUTO,M.R.GREEN,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURES OF THE FIRST AND SECOND JRNL TITL 2 RNA-BINDING DOMAINS OF HUMAN U2 SMALL NUCLEAR JRNL TITL 3 RIBONUCLEOPROTEIN PARTICLE AUXILIARY FACTOR JRNL TITL 4 (U2AF(65)). JRNL REF EMBO J. V. 18 4523 1999 JRNL REFN ISSN 0261-4189 JRNL PMID 10449418 JRNL DOI 10.1093/EMBOJ/18.16.4523 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: SIMULATED ANNEALING REMARK 4 REMARK 4 1U2F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB001115. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, BRUKER 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 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 PHE A 11 167.53 -48.13 REMARK 500 ILE A 13 155.64 -47.79 REMARK 500 ALA A 17 -75.56 -44.84 REMARK 500 LEU A 28 -85.82 -44.72 REMARK 500 PRO A 38 -73.37 -77.65 REMARK 500 VAL A 42 72.29 -119.83 REMARK 500 GLN A 46 -149.82 -88.47 REMARK 500 ASP A 47 -125.64 61.60 REMARK 500 ASN A 49 97.33 80.62 REMARK 500 SER A 57 -35.02 -161.00 REMARK 500 ASP A 59 43.28 -96.51 REMARK 500 ASP A 68 102.35 -39.82 REMARK 500 ILE A 70 -132.02 39.18 REMARK 500 LYS A 78 95.91 -160.14 REMARK 500 PRO A 82 49.91 -77.23 REMARK 500 GLN A 86 91.48 45.49 REMARK 500 LEU A 88 102.57 -42.35 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 2 0.31 SIDE_CHAIN REMARK 500 ARG A 3 0.32 SIDE_CHAIN REMARK 500 ARG A 27 0.31 SIDE_CHAIN REMARK 500 ARG A 56 0.24 SIDE_CHAIN REMARK 500 ARG A 80 0.10 SIDE_CHAIN REMARK 500 ARG A 81 0.27 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2U2F RELATED DB: PDB REMARK 900 RELATED ID: AR_001000503.1 RELATED DB: TARGETDB DBREF 1U2F A 1 90 UNP P26368 U2AF2_HUMAN 148 237 SEQRES 1 A 90 ALA ARG ARG LEU TYR VAL GLY ASN ILE PRO PHE GLY ILE SEQRES 2 A 90 THR GLU GLU ALA MET MET ASP PHE PHE ASN ALA GLN MET SEQRES 3 A 90 ARG LEU GLY GLY LEU THR GLN ALA PRO GLY ASN PRO VAL SEQRES 4 A 90 LEU ALA VAL GLN ILE ASN GLN ASP LYS ASN PHE ALA PHE SEQRES 5 A 90 LEU GLU PHE ARG SER VAL ASP GLU THR THR GLN ALA MET SEQRES 6 A 90 ALA PHE ASP GLY ILE ILE PHE GLN GLY GLN SER LEU LYS SEQRES 7 A 90 ILE ARG ARG PRO HIS ASP TYR GLN PRO LEU PRO GLY HELIX 1 H1 GLU A 16 LEU A 28 1 13 HELIX 2 H2 GLU A 60 ASP A 68 1 9 SHEET 1 S1 1 ALA A 41 ASN A 45 0 SHEET 1 S2 1 PHE A 50 GLU A 54 0 SHEET 1 S3 1 ARG A 3 GLY A 7 0 SHEET 1 S4 1 LYS A 78 ARG A 81 0 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 85 TYR OH : rot 125:sc= 0.0918 USER MOD Set 1.2: A 86 GLN : amide:sc= -2.92! C(o=-2.8!,f=-5.2!) USER MOD Single : A 1 ALA N :NH3+ 139:sc= -0.453 (180deg=-2.35!) USER MOD Single : A 5 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 18 MET CE :methyl -157:sc= -0.828 (180deg=-1.45) USER MOD Single : A 19 MET CE :methyl 176:sc= -0.948 (180deg=-1.03) USER MOD Single : A 23 ASN : amide:sc= -8.42! C(o=-8.4!,f=-14!) USER MOD Single : A 25 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.57) USER MOD Single : A 26 MET CE :methyl -112:sc= -0.815 (180deg=-4.41!) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.000543 USER MOD Single : A 33 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.00062) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.7!) USER MOD Single : A 46 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.096) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -148:sc= -0.283 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 65 MET CE :methyl 178:sc= -1.89 (180deg=-1.97) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0171 F(o=-0.87,f=-0.017) USER MOD Single : A 75 GLN : amide:sc= -0.232 K(o=-0.23,f=-2!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.32 F(o=-1.4,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.954 10.065 5.915 1.00 3.75 N ATOM 2 CA ALA A 1 -5.554 8.716 6.406 1.00 3.23 C ATOM 3 C ALA A 1 -4.233 8.304 5.752 1.00 2.15 C ATOM 4 O ALA A 1 -3.314 7.865 6.413 1.00 2.48 O ATOM 5 CB ALA A 1 -6.640 7.700 6.047 1.00 3.86 C ATOM 0 H1 ALA A 1 -6.979 10.080 5.739 1.00 3.75 H new ATOM 0 H2 ALA A 1 -5.715 10.780 6.631 1.00 3.75 H new ATOM 0 H3 ALA A 1 -5.448 10.277 5.032 1.00 3.75 H new ATOM 0 HA ALA A 1 -5.428 8.747 7.488 1.00 3.23 H new ATOM 0 HB1 ALA A 1 -6.348 6.713 6.406 1.00 3.86 H new ATOM 0 HB2 ALA A 1 -7.580 7.992 6.514 1.00 3.86 H new ATOM 0 HB3 ALA A 1 -6.766 7.670 4.965 1.00 3.86 H new ATOM 13 N ARG A 2 -4.131 8.446 4.459 1.00 1.46 N ATOM 14 CA ARG A 2 -2.870 8.067 3.762 1.00 0.68 C ATOM 15 C ARG A 2 -2.649 6.556 3.879 1.00 0.53 C ATOM 16 O ARG A 2 -1.602 6.045 3.535 1.00 0.66 O ATOM 17 CB ARG A 2 -1.691 8.807 4.399 1.00 1.47 C ATOM 18 CG ARG A 2 -1.963 10.312 4.377 1.00 2.01 C ATOM 19 CD ARG A 2 -2.333 10.783 5.784 1.00 2.41 C ATOM 20 NE ARG A 2 -3.482 11.729 5.705 1.00 2.94 N ATOM 21 CZ ARG A 2 -3.627 12.655 6.612 1.00 3.56 C ATOM 22 NH1 ARG A 2 -4.057 12.339 7.803 1.00 4.09 N ATOM 23 NH2 ARG A 2 -3.341 13.896 6.330 1.00 4.12 N ATOM 0 H ARG A 2 -4.868 8.809 3.854 1.00 1.46 H new ATOM 0 HA ARG A 2 -2.945 8.340 2.709 1.00 0.68 H new ATOM 0 HB2 ARG A 2 -1.546 8.468 5.425 1.00 1.47 H new ATOM 0 HB3 ARG A 2 -0.772 8.585 3.857 1.00 1.47 H new ATOM 0 HG2 ARG A 2 -1.082 10.847 4.023 1.00 2.01 H new ATOM 0 HG3 ARG A 2 -2.772 10.536 3.682 1.00 2.01 H new ATOM 0 HD2 ARG A 2 -2.594 9.928 6.408 1.00 2.41 H new ATOM 0 HD3 ARG A 2 -1.478 11.271 6.252 1.00 2.41 H new ATOM 0 HE ARG A 2 -4.155 11.652 4.942 1.00 2.94 H new ATOM 0 HH11 ARG A 2 -4.279 11.368 8.024 1.00 4.09 H new ATOM 0 HH12 ARG A 2 -4.171 13.063 8.513 1.00 4.09 H new ATOM 0 HH21 ARG A 2 -3.004 14.143 5.400 1.00 4.12 H new ATOM 0 HH22 ARG A 2 -3.455 14.620 7.040 1.00 4.12 H new ATOM 37 N ARG A 3 -3.628 5.837 4.357 1.00 0.43 N ATOM 38 CA ARG A 3 -3.470 4.360 4.489 1.00 0.33 C ATOM 39 C ARG A 3 -4.220 3.669 3.350 1.00 0.31 C ATOM 40 O ARG A 3 -5.362 3.974 3.072 1.00 0.39 O ATOM 41 CB ARG A 3 -4.046 3.902 5.830 1.00 0.41 C ATOM 42 CG ARG A 3 -4.030 2.373 5.896 1.00 0.50 C ATOM 43 CD ARG A 3 -3.114 1.922 7.035 1.00 0.99 C ATOM 44 NE ARG A 3 -3.612 2.480 8.323 1.00 1.12 N ATOM 45 CZ ARG A 3 -4.734 2.048 8.830 1.00 1.45 C ATOM 46 NH1 ARG A 3 -4.734 1.020 9.633 1.00 2.11 N ATOM 47 NH2 ARG A 3 -5.857 2.646 8.535 1.00 2.09 N ATOM 0 H ARG A 3 -4.528 6.207 4.661 1.00 0.43 H new ATOM 0 HA ARG A 3 -2.412 4.100 4.442 1.00 0.33 H new ATOM 0 HB2 ARG A 3 -3.461 4.318 6.650 1.00 0.41 H new ATOM 0 HB3 ARG A 3 -5.065 4.271 5.945 1.00 0.41 H new ATOM 0 HG2 ARG A 3 -5.040 1.995 6.055 1.00 0.50 H new ATOM 0 HG3 ARG A 3 -3.681 1.961 4.949 1.00 0.50 H new ATOM 0 HD2 ARG A 3 -3.086 0.833 7.084 1.00 0.99 H new ATOM 0 HD3 ARG A 3 -2.094 2.259 6.851 1.00 0.99 H new ATOM 0 HE ARG A 3 -3.076 3.199 8.808 1.00 1.12 H new ATOM 0 HH11 ARG A 3 -3.857 0.554 9.865 1.00 2.11 H new ATOM 0 HH12 ARG A 3 -5.611 0.682 10.029 1.00 2.11 H new ATOM 0 HH21 ARG A 3 -5.857 3.451 7.908 1.00 2.09 H new ATOM 0 HH22 ARG A 3 -6.734 2.308 8.931 1.00 2.09 H new ATOM 61 N LEU A 4 -3.587 2.743 2.683 1.00 0.26 N ATOM 62 CA LEU A 4 -4.262 2.043 1.562 1.00 0.29 C ATOM 63 C LEU A 4 -4.376 0.551 1.874 1.00 0.27 C ATOM 64 O LEU A 4 -3.628 0.012 2.665 1.00 0.40 O ATOM 65 CB LEU A 4 -3.440 2.235 0.293 1.00 0.34 C ATOM 66 CG LEU A 4 -3.747 3.604 -0.313 1.00 0.43 C ATOM 67 CD1 LEU A 4 -2.761 3.892 -1.444 1.00 1.10 C ATOM 68 CD2 LEU A 4 -5.174 3.606 -0.869 1.00 1.20 C ATOM 0 H LEU A 4 -2.630 2.443 2.869 1.00 0.26 H new ATOM 0 HA LEU A 4 -5.262 2.454 1.424 1.00 0.29 H new ATOM 0 HB2 LEU A 4 -2.377 2.157 0.521 1.00 0.34 H new ATOM 0 HB3 LEU A 4 -3.671 1.448 -0.425 1.00 0.34 H new ATOM 0 HG LEU A 4 -3.654 4.371 0.455 1.00 0.43 H new ATOM 0 HD11 LEU A 4 -2.979 4.868 -1.877 1.00 1.10 H new ATOM 0 HD12 LEU A 4 -1.745 3.888 -1.050 1.00 1.10 H new ATOM 0 HD13 LEU A 4 -2.855 3.125 -2.213 1.00 1.10 H new ATOM 0 HD21 LEU A 4 -5.395 4.582 -1.302 1.00 1.20 H new ATOM 0 HD22 LEU A 4 -5.266 2.839 -1.638 1.00 1.20 H new ATOM 0 HD23 LEU A 4 -5.879 3.399 -0.064 1.00 1.20 H new ATOM 80 N TYR A 5 -5.306 -0.120 1.254 1.00 0.21 N ATOM 81 CA TYR A 5 -5.471 -1.577 1.507 1.00 0.20 C ATOM 82 C TYR A 5 -5.000 -2.362 0.284 1.00 0.18 C ATOM 83 O TYR A 5 -5.135 -1.918 -0.839 1.00 0.20 O ATOM 84 CB TYR A 5 -6.947 -1.886 1.767 1.00 0.25 C ATOM 85 CG TYR A 5 -7.190 -3.369 1.605 1.00 0.29 C ATOM 86 CD1 TYR A 5 -7.324 -3.923 0.325 1.00 1.30 C ATOM 87 CD2 TYR A 5 -7.284 -4.189 2.735 1.00 1.20 C ATOM 88 CE1 TYR A 5 -7.550 -5.297 0.177 1.00 1.37 C ATOM 89 CE2 TYR A 5 -7.511 -5.563 2.587 1.00 1.20 C ATOM 90 CZ TYR A 5 -7.645 -6.116 1.308 1.00 0.52 C ATOM 91 OH TYR A 5 -7.869 -7.470 1.163 1.00 0.66 O ATOM 0 H TYR A 5 -5.960 0.280 0.581 1.00 0.21 H new ATOM 0 HA TYR A 5 -4.879 -1.863 2.376 1.00 0.20 H new ATOM 0 HB2 TYR A 5 -7.224 -1.570 2.773 1.00 0.25 H new ATOM 0 HB3 TYR A 5 -7.574 -1.326 1.073 1.00 0.25 H new ATOM 0 HD1 TYR A 5 -7.253 -3.290 -0.547 1.00 1.30 H new ATOM 0 HD2 TYR A 5 -7.181 -3.762 3.722 1.00 1.20 H new ATOM 0 HE1 TYR A 5 -7.651 -5.725 -0.810 1.00 1.37 H new ATOM 0 HE2 TYR A 5 -7.583 -6.196 3.459 1.00 1.20 H new ATOM 0 HH TYR A 5 -7.480 -7.777 0.318 1.00 0.66 H new ATOM 101 N VAL A 6 -4.459 -3.530 0.490 1.00 0.18 N ATOM 102 CA VAL A 6 -3.993 -4.348 -0.662 1.00 0.16 C ATOM 103 C VAL A 6 -4.639 -5.730 -0.579 1.00 0.18 C ATOM 104 O VAL A 6 -4.983 -6.203 0.487 1.00 0.22 O ATOM 105 CB VAL A 6 -2.473 -4.497 -0.613 1.00 0.17 C ATOM 106 CG1 VAL A 6 -1.951 -4.867 -2.003 1.00 0.17 C ATOM 107 CG2 VAL A 6 -1.843 -3.177 -0.164 1.00 0.20 C ATOM 0 H VAL A 6 -4.320 -3.953 1.408 1.00 0.18 H new ATOM 0 HA VAL A 6 -4.273 -3.858 -1.594 1.00 0.16 H new ATOM 0 HB VAL A 6 -2.209 -5.283 0.095 1.00 0.17 H new ATOM 0 HG11 VAL A 6 -0.867 -4.973 -1.968 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -2.398 -5.809 -2.321 1.00 0.17 H new ATOM 0 HG13 VAL A 6 -2.216 -4.083 -2.712 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -0.759 -3.284 -0.129 1.00 0.20 H new ATOM 0 HG22 VAL A 6 -2.107 -2.389 -0.869 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -2.213 -2.916 0.827 1.00 0.20 H new ATOM 117 N GLY A 7 -4.807 -6.380 -1.695 1.00 0.17 N ATOM 118 CA GLY A 7 -5.435 -7.731 -1.685 1.00 0.20 C ATOM 119 C GLY A 7 -4.641 -8.671 -2.591 1.00 0.18 C ATOM 120 O GLY A 7 -3.760 -8.252 -3.315 1.00 0.18 O ATOM 0 H GLY A 7 -4.536 -6.034 -2.616 1.00 0.17 H new ATOM 0 HA2 GLY A 7 -5.460 -8.124 -0.669 1.00 0.20 H new ATOM 0 HA3 GLY A 7 -6.468 -7.666 -2.027 1.00 0.20 H new ATOM 124 N ASN A 8 -4.937 -9.942 -2.546 1.00 0.19 N ATOM 125 CA ASN A 8 -4.191 -10.912 -3.394 1.00 0.19 C ATOM 126 C ASN A 8 -2.727 -10.891 -2.972 1.00 0.17 C ATOM 127 O ASN A 8 -1.836 -11.198 -3.739 1.00 0.22 O ATOM 128 CB ASN A 8 -4.314 -10.518 -4.867 1.00 0.22 C ATOM 129 CG ASN A 8 -5.732 -10.813 -5.359 1.00 0.29 C ATOM 130 OD1 ASN A 8 -6.714 -10.046 -4.974 1.00 0.68 O flip ATOM 131 ND2 ASN A 8 -5.947 -11.750 -6.101 1.00 0.73 N flip ATOM 0 H ASN A 8 -5.664 -10.349 -1.958 1.00 0.19 H new ATOM 0 HA ASN A 8 -4.603 -11.913 -3.268 1.00 0.19 H new ATOM 0 HB2 ASN A 8 -4.088 -9.459 -4.991 1.00 0.22 H new ATOM 0 HB3 ASN A 8 -3.589 -11.071 -5.464 1.00 0.22 H new ATOM 0 HD21 ASN A 8 -5.178 -12.349 -6.402 1.00 0.73 H new ATOM 0 HD22 ASN A 8 -6.896 -11.938 -6.424 1.00 0.73 H new ATOM 138 N ILE A 9 -2.479 -10.521 -1.747 1.00 0.16 N ATOM 139 CA ILE A 9 -1.081 -10.463 -1.247 1.00 0.17 C ATOM 140 C ILE A 9 -0.772 -11.741 -0.459 1.00 0.17 C ATOM 141 O ILE A 9 -1.617 -12.246 0.252 1.00 0.19 O ATOM 142 CB ILE A 9 -0.931 -9.239 -0.343 1.00 0.20 C ATOM 143 CG1 ILE A 9 -1.466 -9.563 1.050 1.00 0.24 C ATOM 144 CG2 ILE A 9 -1.733 -8.077 -0.932 1.00 0.21 C ATOM 145 CD1 ILE A 9 -0.369 -10.251 1.858 1.00 0.29 C ATOM 0 H ILE A 9 -3.191 -10.255 -1.067 1.00 0.16 H new ATOM 0 HA ILE A 9 -0.385 -10.385 -2.082 1.00 0.17 H new ATOM 0 HB ILE A 9 0.122 -8.965 -0.274 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -1.786 -8.650 1.552 1.00 0.24 H new ATOM 0 HG13 ILE A 9 -2.340 -10.210 0.976 1.00 0.24 H new ATOM 0 HG21 ILE A 9 -1.629 -7.202 -0.291 1.00 0.21 H new ATOM 0 HG22 ILE A 9 -1.357 -7.844 -1.928 1.00 0.21 H new ATOM 0 HG23 ILE A 9 -2.785 -8.357 -0.997 1.00 0.21 H new ATOM 0 HD11 ILE A 9 -0.744 -10.486 2.854 1.00 0.29 H new ATOM 0 HD12 ILE A 9 -0.071 -11.172 1.356 1.00 0.29 H new ATOM 0 HD13 ILE A 9 0.492 -9.588 1.941 1.00 0.29 H new ATOM 157 N PRO A 10 0.433 -12.226 -0.614 1.00 0.19 N ATOM 158 CA PRO A 10 0.889 -13.449 0.067 1.00 0.23 C ATOM 159 C PRO A 10 1.260 -13.145 1.521 1.00 0.23 C ATOM 160 O PRO A 10 2.396 -12.842 1.831 1.00 0.26 O ATOM 161 CB PRO A 10 2.125 -13.864 -0.734 1.00 0.28 C ATOM 162 CG PRO A 10 2.634 -12.587 -1.445 1.00 0.27 C ATOM 163 CD PRO A 10 1.450 -11.602 -1.483 1.00 0.21 C ATOM 0 HA PRO A 10 0.128 -14.228 0.104 1.00 0.23 H new ATOM 0 HB2 PRO A 10 2.892 -14.276 -0.078 1.00 0.28 H new ATOM 0 HB3 PRO A 10 1.876 -14.639 -1.459 1.00 0.28 H new ATOM 0 HG2 PRO A 10 3.479 -12.156 -0.909 1.00 0.27 H new ATOM 0 HG3 PRO A 10 2.979 -12.816 -2.453 1.00 0.27 H new ATOM 0 HD2 PRO A 10 1.739 -10.618 -1.115 1.00 0.21 H new ATOM 0 HD3 PRO A 10 1.077 -11.466 -2.498 1.00 0.21 H new ATOM 171 N PHE A 11 0.314 -13.222 2.417 1.00 0.27 N ATOM 172 CA PHE A 11 0.621 -12.937 3.846 1.00 0.32 C ATOM 173 C PHE A 11 1.878 -13.707 4.255 1.00 0.34 C ATOM 174 O PHE A 11 2.348 -14.571 3.541 1.00 0.39 O ATOM 175 CB PHE A 11 -0.565 -13.357 4.717 1.00 0.41 C ATOM 176 CG PHE A 11 -0.106 -13.553 6.143 1.00 0.48 C ATOM 177 CD1 PHE A 11 -0.127 -12.477 7.039 1.00 1.30 C ATOM 178 CD2 PHE A 11 0.340 -14.810 6.568 1.00 1.26 C ATOM 179 CE1 PHE A 11 0.299 -12.658 8.360 1.00 1.34 C ATOM 180 CE2 PHE A 11 0.766 -14.991 7.890 1.00 1.30 C ATOM 181 CZ PHE A 11 0.745 -13.915 8.785 1.00 0.66 C ATOM 0 H PHE A 11 -0.656 -13.469 2.221 1.00 0.27 H new ATOM 0 HA PHE A 11 0.797 -11.870 3.982 1.00 0.32 H new ATOM 0 HB2 PHE A 11 -1.345 -12.597 4.677 1.00 0.41 H new ATOM 0 HB3 PHE A 11 -1.000 -14.280 4.335 1.00 0.41 H new ATOM 0 HD1 PHE A 11 -0.472 -11.508 6.711 1.00 1.30 H new ATOM 0 HD2 PHE A 11 0.356 -15.640 5.877 1.00 1.26 H new ATOM 0 HE1 PHE A 11 0.284 -11.828 9.051 1.00 1.34 H new ATOM 0 HE2 PHE A 11 1.111 -15.960 8.219 1.00 1.30 H new ATOM 0 HZ PHE A 11 1.073 -14.055 9.804 1.00 0.66 H new ATOM 191 N GLY A 12 2.438 -13.390 5.389 1.00 0.40 N ATOM 192 CA GLY A 12 3.677 -14.090 5.832 1.00 0.43 C ATOM 193 C GLY A 12 4.869 -13.176 5.559 1.00 0.39 C ATOM 194 O GLY A 12 5.707 -12.951 6.410 1.00 0.45 O ATOM 0 H GLY A 12 2.091 -12.676 6.029 1.00 0.40 H new ATOM 0 HA2 GLY A 12 3.618 -14.330 6.894 1.00 0.43 H new ATOM 0 HA3 GLY A 12 3.792 -15.033 5.298 1.00 0.43 H new ATOM 198 N ILE A 13 4.936 -12.633 4.375 1.00 0.32 N ATOM 199 CA ILE A 13 6.051 -11.715 4.028 1.00 0.30 C ATOM 200 C ILE A 13 6.217 -10.687 5.160 1.00 0.28 C ATOM 201 O ILE A 13 5.298 -10.434 5.914 1.00 0.30 O ATOM 202 CB ILE A 13 5.702 -11.035 2.702 1.00 0.32 C ATOM 203 CG1 ILE A 13 6.712 -9.926 2.392 1.00 0.32 C ATOM 204 CG2 ILE A 13 4.289 -10.451 2.784 1.00 0.34 C ATOM 205 CD1 ILE A 13 6.106 -8.567 2.733 1.00 0.34 C ATOM 0 H ILE A 13 4.259 -12.789 3.628 1.00 0.32 H new ATOM 0 HA ILE A 13 6.994 -12.251 3.916 1.00 0.30 H new ATOM 0 HB ILE A 13 5.742 -11.773 1.901 1.00 0.32 H new ATOM 0 HG12 ILE A 13 7.625 -10.082 2.966 1.00 0.32 H new ATOM 0 HG13 ILE A 13 6.989 -9.957 1.338 1.00 0.32 H new ATOM 0 HG21 ILE A 13 4.040 -9.967 1.840 1.00 0.34 H new ATOM 0 HG22 ILE A 13 3.575 -11.251 2.980 1.00 0.34 H new ATOM 0 HG23 ILE A 13 4.244 -9.719 3.590 1.00 0.34 H new ATOM 0 HD11 ILE A 13 6.828 -7.781 2.511 1.00 0.34 H new ATOM 0 HD12 ILE A 13 5.205 -8.411 2.139 1.00 0.34 H new ATOM 0 HD13 ILE A 13 5.852 -8.538 3.793 1.00 0.34 H new ATOM 217 N THR A 14 7.386 -10.118 5.310 1.00 0.27 N ATOM 218 CA THR A 14 7.609 -9.139 6.421 1.00 0.29 C ATOM 219 C THR A 14 7.103 -7.748 6.031 1.00 0.26 C ATOM 220 O THR A 14 6.424 -7.573 5.046 1.00 0.28 O ATOM 221 CB THR A 14 9.106 -9.063 6.735 1.00 0.32 C ATOM 222 OG1 THR A 14 9.796 -8.524 5.616 1.00 0.38 O ATOM 223 CG2 THR A 14 9.637 -10.464 7.040 1.00 0.44 C ATOM 0 H THR A 14 8.196 -10.288 4.713 1.00 0.27 H new ATOM 0 HA THR A 14 7.057 -9.477 7.298 1.00 0.29 H new ATOM 0 HB THR A 14 9.264 -8.422 7.602 1.00 0.32 H new ATOM 0 HG1 THR A 14 10.754 -8.473 5.816 1.00 0.38 H new ATOM 0 HG21 THR A 14 10.702 -10.409 7.263 1.00 0.44 H new ATOM 0 HG22 THR A 14 9.107 -10.875 7.899 1.00 0.44 H new ATOM 0 HG23 THR A 14 9.481 -11.109 6.175 1.00 0.44 H new ATOM 231 N GLU A 15 7.426 -6.752 6.809 1.00 0.27 N ATOM 232 CA GLU A 15 6.959 -5.374 6.486 1.00 0.27 C ATOM 233 C GLU A 15 7.994 -4.674 5.602 1.00 0.25 C ATOM 234 O GLU A 15 7.867 -3.507 5.289 1.00 0.31 O ATOM 235 CB GLU A 15 6.774 -4.582 7.782 1.00 0.33 C ATOM 236 CG GLU A 15 6.400 -3.137 7.449 1.00 0.35 C ATOM 237 CD GLU A 15 5.765 -2.477 8.675 1.00 0.58 C ATOM 238 OE1 GLU A 15 4.754 -2.981 9.137 1.00 1.30 O ATOM 239 OE2 GLU A 15 6.300 -1.480 9.130 1.00 1.30 O ATOM 0 H GLU A 15 7.992 -6.832 7.653 1.00 0.27 H new ATOM 0 HA GLU A 15 6.009 -5.429 5.954 1.00 0.27 H new ATOM 0 HB2 GLU A 15 5.995 -5.039 8.392 1.00 0.33 H new ATOM 0 HB3 GLU A 15 7.692 -4.605 8.369 1.00 0.33 H new ATOM 0 HG2 GLU A 15 7.287 -2.582 7.143 1.00 0.35 H new ATOM 0 HG3 GLU A 15 5.705 -3.115 6.610 1.00 0.35 H new ATOM 246 N GLU A 16 9.019 -5.374 5.200 1.00 0.25 N ATOM 247 CA GLU A 16 10.060 -4.742 4.341 1.00 0.24 C ATOM 248 C GLU A 16 9.689 -4.920 2.866 1.00 0.20 C ATOM 249 O GLU A 16 9.554 -3.963 2.131 1.00 0.24 O ATOM 250 CB GLU A 16 11.413 -5.404 4.611 1.00 0.28 C ATOM 251 CG GLU A 16 11.930 -4.965 5.982 1.00 0.38 C ATOM 252 CD GLU A 16 13.051 -5.904 6.431 1.00 1.03 C ATOM 253 OE1 GLU A 16 12.744 -7.026 6.799 1.00 1.67 O ATOM 254 OE2 GLU A 16 14.196 -5.486 6.399 1.00 1.77 O ATOM 0 H GLU A 16 9.181 -6.355 5.429 1.00 0.25 H new ATOM 0 HA GLU A 16 10.122 -3.678 4.571 1.00 0.24 H new ATOM 0 HB2 GLU A 16 11.312 -6.489 4.579 1.00 0.28 H new ATOM 0 HB3 GLU A 16 12.127 -5.127 3.835 1.00 0.28 H new ATOM 0 HG2 GLU A 16 12.298 -3.940 5.932 1.00 0.38 H new ATOM 0 HG3 GLU A 16 11.118 -4.977 6.709 1.00 0.38 H new ATOM 261 N ALA A 17 9.528 -6.138 2.428 1.00 0.23 N ATOM 262 CA ALA A 17 9.171 -6.377 1.001 1.00 0.22 C ATOM 263 C ALA A 17 8.064 -5.407 0.576 1.00 0.20 C ATOM 264 O ALA A 17 8.307 -4.445 -0.125 1.00 0.31 O ATOM 265 CB ALA A 17 8.685 -7.817 0.831 1.00 0.26 C ATOM 0 H ALA A 17 9.628 -6.979 2.997 1.00 0.23 H new ATOM 0 HA ALA A 17 10.050 -6.215 0.377 1.00 0.22 H new ATOM 0 HB1 ALA A 17 8.424 -7.992 -0.213 1.00 0.26 H new ATOM 0 HB2 ALA A 17 9.476 -8.505 1.127 1.00 0.26 H new ATOM 0 HB3 ALA A 17 7.808 -7.981 1.457 1.00 0.26 H new ATOM 271 N MET A 18 6.851 -5.653 0.991 1.00 0.21 N ATOM 272 CA MET A 18 5.732 -4.744 0.606 1.00 0.21 C ATOM 273 C MET A 18 6.182 -3.288 0.746 1.00 0.20 C ATOM 274 O MET A 18 6.127 -2.519 -0.192 1.00 0.21 O ATOM 275 CB MET A 18 4.530 -4.990 1.523 1.00 0.24 C ATOM 276 CG MET A 18 3.766 -6.227 1.049 1.00 0.27 C ATOM 277 SD MET A 18 2.942 -5.866 -0.521 1.00 1.11 S ATOM 278 CE MET A 18 1.242 -5.933 0.095 1.00 0.69 C ATOM 0 H MET A 18 6.586 -6.443 1.579 1.00 0.21 H new ATOM 0 HA MET A 18 5.449 -4.942 -0.428 1.00 0.21 H new ATOM 0 HB2 MET A 18 4.866 -5.130 2.550 1.00 0.24 H new ATOM 0 HB3 MET A 18 3.873 -4.121 1.518 1.00 0.24 H new ATOM 0 HG2 MET A 18 4.451 -7.066 0.927 1.00 0.27 H new ATOM 0 HG3 MET A 18 3.031 -6.522 1.798 1.00 0.27 H new ATOM 0 HE1 MET A 18 0.564 -6.145 -0.732 1.00 0.69 H new ATOM 0 HE2 MET A 18 1.157 -6.720 0.844 1.00 0.69 H new ATOM 0 HE3 MET A 18 0.980 -4.975 0.544 1.00 0.69 H new ATOM 288 N MET A 19 6.622 -2.904 1.912 1.00 0.23 N ATOM 289 CA MET A 19 7.070 -1.498 2.113 1.00 0.25 C ATOM 290 C MET A 19 7.924 -1.056 0.926 1.00 0.23 C ATOM 291 O MET A 19 7.530 -0.217 0.141 1.00 0.23 O ATOM 292 CB MET A 19 7.899 -1.403 3.396 1.00 0.29 C ATOM 293 CG MET A 19 8.293 0.054 3.643 1.00 0.31 C ATOM 294 SD MET A 19 9.127 0.191 5.243 1.00 0.76 S ATOM 295 CE MET A 19 7.643 0.138 6.276 1.00 0.69 C ATOM 0 H MET A 19 6.691 -3.503 2.734 1.00 0.23 H new ATOM 0 HA MET A 19 6.197 -0.851 2.193 1.00 0.25 H new ATOM 0 HB2 MET A 19 7.325 -1.784 4.241 1.00 0.29 H new ATOM 0 HB3 MET A 19 8.792 -2.023 3.311 1.00 0.29 H new ATOM 0 HG2 MET A 19 8.950 0.404 2.847 1.00 0.31 H new ATOM 0 HG3 MET A 19 7.407 0.689 3.627 1.00 0.31 H new ATOM 0 HE1 MET A 19 7.931 0.138 7.327 1.00 0.69 H new ATOM 0 HE2 MET A 19 7.024 1.011 6.069 1.00 0.69 H new ATOM 0 HE3 MET A 19 7.078 -0.767 6.055 1.00 0.69 H new ATOM 305 N ASP A 20 9.093 -1.611 0.797 1.00 0.24 N ATOM 306 CA ASP A 20 9.988 -1.228 -0.328 1.00 0.25 C ATOM 307 C ASP A 20 9.338 -1.587 -1.666 1.00 0.23 C ATOM 308 O ASP A 20 9.809 -1.200 -2.717 1.00 0.28 O ATOM 309 CB ASP A 20 11.312 -1.977 -0.186 1.00 0.29 C ATOM 310 CG ASP A 20 12.250 -1.585 -1.328 1.00 0.32 C ATOM 311 OD1 ASP A 20 12.170 -2.207 -2.374 1.00 1.04 O ATOM 312 OD2 ASP A 20 13.034 -0.669 -1.137 1.00 1.11 O ATOM 0 H ASP A 20 9.471 -2.319 1.427 1.00 0.24 H new ATOM 0 HA ASP A 20 10.163 -0.152 -0.300 1.00 0.25 H new ATOM 0 HB2 ASP A 20 11.773 -1.742 0.773 1.00 0.29 H new ATOM 0 HB3 ASP A 20 11.136 -3.053 -0.200 1.00 0.29 H new ATOM 317 N PHE A 21 8.265 -2.327 -1.641 1.00 0.20 N ATOM 318 CA PHE A 21 7.596 -2.711 -2.915 1.00 0.20 C ATOM 319 C PHE A 21 6.687 -1.573 -3.389 1.00 0.19 C ATOM 320 O PHE A 21 6.465 -1.398 -4.571 1.00 0.20 O ATOM 321 CB PHE A 21 6.764 -3.975 -2.683 1.00 0.24 C ATOM 322 CG PHE A 21 5.942 -4.288 -3.911 1.00 0.23 C ATOM 323 CD1 PHE A 21 6.559 -4.395 -5.165 1.00 1.23 C ATOM 324 CD2 PHE A 21 4.561 -4.481 -3.793 1.00 1.20 C ATOM 325 CE1 PHE A 21 5.792 -4.694 -6.297 1.00 1.26 C ATOM 326 CE2 PHE A 21 3.796 -4.782 -4.924 1.00 1.19 C ATOM 327 CZ PHE A 21 4.411 -4.887 -6.176 1.00 0.34 C ATOM 0 H PHE A 21 7.822 -2.682 -0.794 1.00 0.20 H new ATOM 0 HA PHE A 21 8.349 -2.903 -3.679 1.00 0.20 H new ATOM 0 HB2 PHE A 21 7.420 -4.814 -2.451 1.00 0.24 H new ATOM 0 HB3 PHE A 21 6.109 -3.836 -1.823 1.00 0.24 H new ATOM 0 HD1 PHE A 21 7.625 -4.247 -5.258 1.00 1.23 H new ATOM 0 HD2 PHE A 21 4.085 -4.397 -2.827 1.00 1.20 H new ATOM 0 HE1 PHE A 21 6.266 -4.776 -7.264 1.00 1.26 H new ATOM 0 HE2 PHE A 21 2.731 -4.933 -4.831 1.00 1.19 H new ATOM 0 HZ PHE A 21 3.820 -5.117 -7.050 1.00 0.34 H new ATOM 337 N PHE A 22 6.151 -0.801 -2.480 1.00 0.20 N ATOM 338 CA PHE A 22 5.252 0.316 -2.894 1.00 0.22 C ATOM 339 C PHE A 22 6.047 1.605 -3.105 1.00 0.21 C ATOM 340 O PHE A 22 5.803 2.344 -4.037 1.00 0.28 O ATOM 341 CB PHE A 22 4.184 0.545 -1.824 1.00 0.26 C ATOM 342 CG PHE A 22 3.083 -0.473 -1.999 1.00 0.30 C ATOM 343 CD1 PHE A 22 3.363 -1.840 -1.874 1.00 1.19 C ATOM 344 CD2 PHE A 22 1.781 -0.050 -2.291 1.00 1.23 C ATOM 345 CE1 PHE A 22 2.340 -2.782 -2.042 1.00 1.21 C ATOM 346 CE2 PHE A 22 0.759 -0.991 -2.458 1.00 1.25 C ATOM 347 CZ PHE A 22 1.038 -2.357 -2.334 1.00 0.42 C ATOM 0 H PHE A 22 6.296 -0.895 -1.475 1.00 0.20 H new ATOM 0 HA PHE A 22 4.776 0.042 -3.836 1.00 0.22 H new ATOM 0 HB2 PHE A 22 4.623 0.457 -0.830 1.00 0.26 H new ATOM 0 HB3 PHE A 22 3.780 1.554 -1.906 1.00 0.26 H new ATOM 0 HD1 PHE A 22 4.367 -2.167 -1.648 1.00 1.19 H new ATOM 0 HD2 PHE A 22 1.565 1.004 -2.387 1.00 1.23 H new ATOM 0 HE1 PHE A 22 2.555 -3.836 -1.946 1.00 1.21 H new ATOM 0 HE2 PHE A 22 -0.245 -0.663 -2.683 1.00 1.25 H new ATOM 0 HZ PHE A 22 0.249 -3.083 -2.464 1.00 0.42 H new ATOM 357 N ASN A 23 6.989 1.894 -2.251 1.00 0.18 N ATOM 358 CA ASN A 23 7.772 3.150 -2.429 1.00 0.18 C ATOM 359 C ASN A 23 8.787 2.960 -3.550 1.00 0.20 C ATOM 360 O ASN A 23 8.991 3.832 -4.370 1.00 0.21 O ATOM 361 CB ASN A 23 8.492 3.512 -1.129 1.00 0.20 C ATOM 362 CG ASN A 23 9.155 2.271 -0.541 1.00 0.19 C ATOM 363 OD1 ASN A 23 10.050 1.708 -1.138 1.00 0.26 O ATOM 364 ND2 ASN A 23 8.753 1.824 0.618 1.00 0.20 N ATOM 0 H ASN A 23 7.249 1.323 -1.447 1.00 0.18 H new ATOM 0 HA ASN A 23 7.093 3.962 -2.689 1.00 0.18 H new ATOM 0 HB2 ASN A 23 9.242 4.280 -1.320 1.00 0.20 H new ATOM 0 HB3 ASN A 23 7.783 3.930 -0.414 1.00 0.20 H new ATOM 0 HD21 ASN A 23 9.191 0.998 1.026 1.00 0.20 H new ATOM 0 HD22 ASN A 23 8.001 2.301 1.115 1.00 0.20 H new ATOM 371 N ALA A 24 9.415 1.822 -3.605 1.00 0.24 N ATOM 372 CA ALA A 24 10.402 1.581 -4.690 1.00 0.30 C ATOM 373 C ALA A 24 9.776 2.007 -6.016 1.00 0.30 C ATOM 374 O ALA A 24 10.459 2.372 -6.953 1.00 0.34 O ATOM 375 CB ALA A 24 10.753 0.093 -4.743 1.00 0.36 C ATOM 0 H ALA A 24 9.289 1.051 -2.949 1.00 0.24 H new ATOM 0 HA ALA A 24 11.311 2.153 -4.504 1.00 0.30 H new ATOM 0 HB1 ALA A 24 11.477 -0.082 -5.539 1.00 0.36 H new ATOM 0 HB2 ALA A 24 11.182 -0.214 -3.789 1.00 0.36 H new ATOM 0 HB3 ALA A 24 9.851 -0.487 -4.939 1.00 0.36 H new ATOM 381 N GLN A 25 8.474 1.976 -6.093 1.00 0.27 N ATOM 382 CA GLN A 25 7.790 2.393 -7.347 1.00 0.30 C ATOM 383 C GLN A 25 7.581 3.905 -7.305 1.00 0.28 C ATOM 384 O GLN A 25 7.617 4.580 -8.315 1.00 0.34 O ATOM 385 CB GLN A 25 6.434 1.690 -7.453 1.00 0.32 C ATOM 386 CG GLN A 25 6.648 0.179 -7.559 1.00 0.41 C ATOM 387 CD GLN A 25 7.566 -0.126 -8.744 1.00 0.77 C ATOM 388 OE1 GLN A 25 7.190 0.065 -9.884 1.00 1.44 O ATOM 389 NE2 GLN A 25 8.763 -0.596 -8.523 1.00 0.70 N ATOM 0 H GLN A 25 7.854 1.679 -5.339 1.00 0.27 H new ATOM 0 HA GLN A 25 8.397 2.122 -8.211 1.00 0.30 H new ATOM 0 HB2 GLN A 25 5.824 1.921 -6.580 1.00 0.32 H new ATOM 0 HB3 GLN A 25 5.892 2.053 -8.326 1.00 0.32 H new ATOM 0 HG2 GLN A 25 7.088 -0.202 -6.637 1.00 0.41 H new ATOM 0 HG3 GLN A 25 5.691 -0.326 -7.688 1.00 0.41 H new ATOM 0 HE21 GLN A 25 9.079 -0.757 -7.567 1.00 0.70 H new ATOM 0 HE22 GLN A 25 9.382 -0.803 -9.307 1.00 0.70 H new ATOM 398 N MET A 26 7.375 4.441 -6.133 1.00 0.23 N ATOM 399 CA MET A 26 7.175 5.907 -6.003 1.00 0.27 C ATOM 400 C MET A 26 8.514 6.615 -6.224 1.00 0.33 C ATOM 401 O MET A 26 8.564 7.768 -6.603 1.00 0.44 O ATOM 402 CB MET A 26 6.663 6.221 -4.595 1.00 0.32 C ATOM 403 CG MET A 26 5.395 5.411 -4.314 1.00 0.42 C ATOM 404 SD MET A 26 4.154 6.482 -3.546 1.00 1.23 S ATOM 405 CE MET A 26 2.782 5.302 -3.585 1.00 2.15 C ATOM 0 H MET A 26 7.337 3.921 -5.256 1.00 0.23 H new ATOM 0 HA MET A 26 6.450 6.250 -6.742 1.00 0.27 H new ATOM 0 HB2 MET A 26 7.429 5.982 -3.857 1.00 0.32 H new ATOM 0 HB3 MET A 26 6.453 7.287 -4.503 1.00 0.32 H new ATOM 0 HG2 MET A 26 5.005 4.992 -5.242 1.00 0.42 H new ATOM 0 HG3 MET A 26 5.624 4.572 -3.657 1.00 0.42 H new ATOM 0 HE1 MET A 26 2.024 5.649 -4.287 1.00 2.15 H new ATOM 0 HE2 MET A 26 3.150 4.326 -3.901 1.00 2.15 H new ATOM 0 HE3 MET A 26 2.345 5.219 -2.590 1.00 2.15 H new ATOM 415 N ARG A 27 9.602 5.929 -5.987 1.00 0.33 N ATOM 416 CA ARG A 27 10.939 6.558 -6.179 1.00 0.45 C ATOM 417 C ARG A 27 11.305 6.546 -7.665 1.00 0.55 C ATOM 418 O ARG A 27 12.229 7.211 -8.091 1.00 0.70 O ATOM 419 CB ARG A 27 11.987 5.771 -5.391 1.00 0.56 C ATOM 420 CG ARG A 27 12.026 6.275 -3.947 1.00 1.07 C ATOM 421 CD ARG A 27 12.710 7.642 -3.902 1.00 1.31 C ATOM 422 NE ARG A 27 14.061 7.542 -4.523 1.00 1.98 N ATOM 423 CZ ARG A 27 15.033 6.956 -3.880 1.00 2.50 C ATOM 424 NH1 ARG A 27 15.108 5.653 -3.857 1.00 3.26 N ATOM 425 NH2 ARG A 27 15.930 7.672 -3.259 1.00 2.82 N ATOM 0 H ARG A 27 9.621 4.960 -5.669 1.00 0.33 H new ATOM 0 HA ARG A 27 10.909 7.588 -5.823 1.00 0.45 H new ATOM 0 HB2 ARG A 27 11.748 4.708 -5.410 1.00 0.56 H new ATOM 0 HB3 ARG A 27 12.967 5.886 -5.854 1.00 0.56 H new ATOM 0 HG2 ARG A 27 11.014 6.350 -3.549 1.00 1.07 H new ATOM 0 HG3 ARG A 27 12.564 5.566 -3.318 1.00 1.07 H new ATOM 0 HD2 ARG A 27 12.108 8.380 -4.433 1.00 1.31 H new ATOM 0 HD3 ARG A 27 12.796 7.984 -2.871 1.00 1.31 H new ATOM 0 HE ARG A 27 14.226 7.932 -5.451 1.00 1.98 H new ATOM 0 HH11 ARG A 27 14.407 5.093 -4.342 1.00 3.26 H new ATOM 0 HH12 ARG A 27 15.868 5.195 -3.354 1.00 3.26 H new ATOM 0 HH21 ARG A 27 15.871 8.690 -3.276 1.00 2.82 H new ATOM 0 HH22 ARG A 27 16.690 7.213 -2.756 1.00 2.82 H new ATOM 439 N LEU A 28 10.589 5.796 -8.458 1.00 0.54 N ATOM 440 CA LEU A 28 10.901 5.744 -9.914 1.00 0.70 C ATOM 441 C LEU A 28 11.148 7.161 -10.437 1.00 0.85 C ATOM 442 O LEU A 28 12.270 7.622 -10.503 1.00 1.02 O ATOM 443 CB LEU A 28 9.722 5.122 -10.666 1.00 0.75 C ATOM 444 CG LEU A 28 9.966 3.623 -10.846 1.00 0.90 C ATOM 445 CD1 LEU A 28 8.641 2.870 -10.710 1.00 1.51 C ATOM 446 CD2 LEU A 28 10.556 3.367 -12.235 1.00 1.46 C ATOM 0 H LEU A 28 9.803 5.218 -8.161 1.00 0.54 H new ATOM 0 HA LEU A 28 11.794 5.139 -10.071 1.00 0.70 H new ATOM 0 HB2 LEU A 28 8.797 5.287 -10.114 1.00 0.75 H new ATOM 0 HB3 LEU A 28 9.603 5.601 -11.638 1.00 0.75 H new ATOM 0 HG LEU A 28 10.662 3.274 -10.083 1.00 0.90 H new ATOM 0 HD11 LEU A 28 8.815 1.802 -10.838 1.00 1.51 H new ATOM 0 HD12 LEU A 28 8.218 3.053 -9.722 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.945 3.218 -11.473 1.00 1.51 H new ATOM 0 HD21 LEU A 28 10.731 2.299 -12.365 1.00 1.46 H new ATOM 0 HD22 LEU A 28 9.859 3.716 -12.997 1.00 1.46 H new ATOM 0 HD23 LEU A 28 11.500 3.904 -12.334 1.00 1.46 H new ATOM 458 N GLY A 29 10.108 7.855 -10.810 1.00 0.92 N ATOM 459 CA GLY A 29 10.283 9.242 -11.329 1.00 1.16 C ATOM 460 C GLY A 29 10.985 10.100 -10.276 1.00 1.06 C ATOM 461 O GLY A 29 11.578 11.115 -10.583 1.00 1.41 O ATOM 0 H GLY A 29 9.144 7.522 -10.778 1.00 0.92 H new ATOM 0 HA2 GLY A 29 10.868 9.226 -12.248 1.00 1.16 H new ATOM 0 HA3 GLY A 29 9.313 9.673 -11.576 1.00 1.16 H new ATOM 465 N GLY A 30 10.922 9.703 -9.034 1.00 1.12 N ATOM 466 CA GLY A 30 11.585 10.499 -7.963 1.00 1.39 C ATOM 467 C GLY A 30 10.545 11.368 -7.255 1.00 1.32 C ATOM 468 O GLY A 30 10.643 12.579 -7.234 1.00 1.55 O ATOM 0 H GLY A 30 10.440 8.862 -8.715 1.00 1.12 H new ATOM 0 HA2 GLY A 30 12.067 9.834 -7.247 1.00 1.39 H new ATOM 0 HA3 GLY A 30 12.367 11.126 -8.392 1.00 1.39 H new ATOM 472 N LEU A 31 9.547 10.760 -6.675 1.00 1.14 N ATOM 473 CA LEU A 31 8.500 11.551 -5.970 1.00 1.27 C ATOM 474 C LEU A 31 8.995 11.923 -4.571 1.00 1.42 C ATOM 475 O LEU A 31 8.387 12.714 -3.877 1.00 1.76 O ATOM 476 CB LEU A 31 7.223 10.715 -5.853 1.00 1.29 C ATOM 477 CG LEU A 31 6.844 10.169 -7.230 1.00 1.24 C ATOM 478 CD1 LEU A 31 5.689 9.177 -7.086 1.00 1.33 C ATOM 479 CD2 LEU A 31 6.412 11.325 -8.135 1.00 1.46 C ATOM 0 H LEU A 31 9.412 9.749 -6.659 1.00 1.14 H new ATOM 0 HA LEU A 31 8.291 12.460 -6.534 1.00 1.27 H new ATOM 0 HB2 LEU A 31 7.376 9.893 -5.154 1.00 1.29 H new ATOM 0 HB3 LEU A 31 6.411 11.325 -5.456 1.00 1.29 H new ATOM 0 HG LEU A 31 7.704 9.664 -7.669 1.00 1.24 H new ATOM 0 HD11 LEU A 31 5.419 8.788 -8.068 1.00 1.33 H new ATOM 0 HD12 LEU A 31 5.995 8.353 -6.441 1.00 1.33 H new ATOM 0 HD13 LEU A 31 4.829 9.682 -6.647 1.00 1.33 H new ATOM 0 HD21 LEU A 31 6.142 10.937 -9.117 1.00 1.46 H new ATOM 0 HD22 LEU A 31 5.552 11.830 -7.695 1.00 1.46 H new ATOM 0 HD23 LEU A 31 7.234 12.033 -8.239 1.00 1.46 H new ATOM 491 N THR A 32 10.095 11.361 -4.150 1.00 1.36 N ATOM 492 CA THR A 32 10.626 11.686 -2.796 1.00 1.61 C ATOM 493 C THR A 32 12.150 11.804 -2.857 1.00 1.96 C ATOM 494 O THR A 32 12.828 10.954 -3.399 1.00 2.42 O ATOM 495 CB THR A 32 10.244 10.575 -1.816 1.00 1.42 C ATOM 496 OG1 THR A 32 10.627 9.318 -2.355 1.00 1.30 O ATOM 497 CG2 THR A 32 8.733 10.595 -1.582 1.00 1.61 C ATOM 0 H THR A 32 10.648 10.691 -4.685 1.00 1.36 H new ATOM 0 HA THR A 32 10.200 12.632 -2.460 1.00 1.61 H new ATOM 0 HB THR A 32 10.757 10.734 -0.867 1.00 1.42 H new ATOM 0 HG1 THR A 32 10.384 8.605 -1.727 1.00 1.30 H new ATOM 0 HG21 THR A 32 8.462 9.803 -0.884 1.00 1.61 H new ATOM 0 HG22 THR A 32 8.442 11.560 -1.167 1.00 1.61 H new ATOM 0 HG23 THR A 32 8.216 10.436 -2.528 1.00 1.61 H new ATOM 505 N GLN A 33 12.693 12.851 -2.300 1.00 2.38 N ATOM 506 CA GLN A 33 14.173 13.022 -2.320 1.00 2.81 C ATOM 507 C GLN A 33 14.653 13.416 -0.924 1.00 2.92 C ATOM 508 O GLN A 33 15.168 14.495 -0.712 1.00 3.33 O ATOM 509 CB GLN A 33 14.550 14.115 -3.321 1.00 3.29 C ATOM 510 CG GLN A 33 14.972 13.472 -4.643 1.00 3.74 C ATOM 511 CD GLN A 33 15.965 14.387 -5.362 1.00 4.27 C ATOM 512 OE1 GLN A 33 16.974 13.933 -5.864 1.00 4.51 O ATOM 513 NE2 GLN A 33 15.720 15.667 -5.434 1.00 4.85 N ATOM 0 H GLN A 33 12.176 13.595 -1.832 1.00 2.38 H new ATOM 0 HA GLN A 33 14.645 12.086 -2.617 1.00 2.81 H new ATOM 0 HB2 GLN A 33 13.704 14.782 -3.483 1.00 3.29 H new ATOM 0 HB3 GLN A 33 15.363 14.722 -2.924 1.00 3.29 H new ATOM 0 HG2 GLN A 33 15.427 12.499 -4.457 1.00 3.74 H new ATOM 0 HG3 GLN A 33 14.098 13.301 -5.272 1.00 3.74 H new ATOM 0 HE21 GLN A 33 14.873 16.049 -5.013 1.00 4.85 H new ATOM 0 HE22 GLN A 33 16.375 16.286 -5.912 1.00 4.85 H new ATOM 522 N ALA A 34 14.484 12.544 0.030 1.00 2.75 N ATOM 523 CA ALA A 34 14.925 12.858 1.418 1.00 3.03 C ATOM 524 C ALA A 34 15.722 11.675 1.975 1.00 2.80 C ATOM 525 O ALA A 34 15.866 10.663 1.319 1.00 3.02 O ATOM 526 CB ALA A 34 13.694 13.106 2.293 1.00 3.52 C ATOM 0 H ALA A 34 14.058 11.625 -0.092 1.00 2.75 H new ATOM 0 HA ALA A 34 15.554 13.748 1.414 1.00 3.03 H new ATOM 0 HB1 ALA A 34 14.011 13.336 3.310 1.00 3.52 H new ATOM 0 HB2 ALA A 34 13.125 13.945 1.892 1.00 3.52 H new ATOM 0 HB3 ALA A 34 13.068 12.214 2.301 1.00 3.52 H new ATOM 532 N PRO A 35 16.217 11.842 3.173 1.00 2.95 N ATOM 533 CA PRO A 35 17.009 10.804 3.855 1.00 3.20 C ATOM 534 C PRO A 35 16.089 9.716 4.415 1.00 2.52 C ATOM 535 O PRO A 35 16.103 9.420 5.593 1.00 2.83 O ATOM 536 CB PRO A 35 17.709 11.569 4.982 1.00 4.12 C ATOM 537 CG PRO A 35 16.865 12.842 5.234 1.00 4.25 C ATOM 538 CD PRO A 35 16.033 13.078 3.959 1.00 3.53 C ATOM 0 HA PRO A 35 17.712 10.295 3.196 1.00 3.20 H new ATOM 0 HB2 PRO A 35 17.773 10.960 5.884 1.00 4.12 H new ATOM 0 HB3 PRO A 35 18.729 11.829 4.700 1.00 4.12 H new ATOM 0 HG2 PRO A 35 16.217 12.712 6.101 1.00 4.25 H new ATOM 0 HG3 PRO A 35 17.507 13.698 5.442 1.00 4.25 H new ATOM 0 HD2 PRO A 35 14.982 13.247 4.195 1.00 3.53 H new ATOM 0 HD3 PRO A 35 16.382 13.954 3.412 1.00 3.53 H new ATOM 546 N GLY A 36 15.288 9.119 3.575 1.00 2.13 N ATOM 547 CA GLY A 36 14.365 8.050 4.051 1.00 1.77 C ATOM 548 C GLY A 36 13.397 7.677 2.927 1.00 1.58 C ATOM 549 O GLY A 36 13.640 7.952 1.769 1.00 2.31 O ATOM 0 H GLY A 36 15.233 9.326 2.578 1.00 2.13 H new ATOM 0 HA2 GLY A 36 14.935 7.174 4.361 1.00 1.77 H new ATOM 0 HA3 GLY A 36 13.811 8.395 4.924 1.00 1.77 H new ATOM 553 N ASN A 37 12.299 7.053 3.258 1.00 1.16 N ATOM 554 CA ASN A 37 11.318 6.664 2.206 1.00 0.90 C ATOM 555 C ASN A 37 9.959 7.294 2.521 1.00 0.76 C ATOM 556 O ASN A 37 9.775 7.877 3.571 1.00 0.90 O ATOM 557 CB ASN A 37 11.179 5.141 2.177 1.00 0.92 C ATOM 558 CG ASN A 37 12.165 4.520 3.168 1.00 1.58 C ATOM 559 OD1 ASN A 37 11.822 4.264 4.305 1.00 2.44 O ATOM 560 ND2 ASN A 37 13.386 4.266 2.783 1.00 2.13 N ATOM 0 H ASN A 37 12.040 6.796 4.210 1.00 1.16 H new ATOM 0 HA ASN A 37 11.666 7.015 1.235 1.00 0.90 H new ATOM 0 HB2 ASN A 37 10.159 4.853 2.433 1.00 0.92 H new ATOM 0 HB3 ASN A 37 11.373 4.767 1.172 1.00 0.92 H new ATOM 0 HD21 ASN A 37 14.051 3.853 3.437 1.00 2.13 H new ATOM 0 HD22 ASN A 37 13.675 4.481 1.829 1.00 2.13 H new ATOM 567 N PRO A 38 9.049 7.154 1.595 1.00 0.56 N ATOM 568 CA PRO A 38 7.687 7.696 1.731 1.00 0.56 C ATOM 569 C PRO A 38 6.845 6.806 2.649 1.00 0.48 C ATOM 570 O PRO A 38 6.562 7.158 3.776 1.00 0.65 O ATOM 571 CB PRO A 38 7.151 7.679 0.298 1.00 0.54 C ATOM 572 CG PRO A 38 7.992 6.635 -0.472 1.00 0.46 C ATOM 573 CD PRO A 38 9.296 6.442 0.327 1.00 0.50 C ATOM 0 HA PRO A 38 7.661 8.691 2.176 1.00 0.56 H new ATOM 0 HB2 PRO A 38 6.094 7.414 0.282 1.00 0.54 H new ATOM 0 HB3 PRO A 38 7.239 8.664 -0.161 1.00 0.54 H new ATOM 0 HG2 PRO A 38 7.451 5.693 -0.563 1.00 0.46 H new ATOM 0 HG3 PRO A 38 8.205 6.980 -1.484 1.00 0.46 H new ATOM 0 HD2 PRO A 38 9.507 5.386 0.497 1.00 0.50 H new ATOM 0 HD3 PRO A 38 10.153 6.857 -0.203 1.00 0.50 H new ATOM 581 N VAL A 39 6.443 5.653 2.182 1.00 0.28 N ATOM 582 CA VAL A 39 5.626 4.756 3.046 1.00 0.25 C ATOM 583 C VAL A 39 6.325 4.604 4.397 1.00 0.28 C ATOM 584 O VAL A 39 7.535 4.664 4.486 1.00 0.36 O ATOM 585 CB VAL A 39 5.478 3.387 2.378 1.00 0.22 C ATOM 586 CG1 VAL A 39 4.842 2.406 3.359 1.00 0.30 C ATOM 587 CG2 VAL A 39 4.575 3.515 1.150 1.00 0.25 C ATOM 0 H VAL A 39 6.644 5.297 1.247 1.00 0.28 H new ATOM 0 HA VAL A 39 4.634 5.184 3.191 1.00 0.25 H new ATOM 0 HB VAL A 39 6.462 3.025 2.079 1.00 0.22 H new ATOM 0 HG11 VAL A 39 4.737 1.431 2.882 1.00 0.30 H new ATOM 0 HG12 VAL A 39 5.475 2.312 4.241 1.00 0.30 H new ATOM 0 HG13 VAL A 39 3.859 2.773 3.655 1.00 0.30 H new ATOM 0 HG21 VAL A 39 4.469 2.541 0.673 1.00 0.25 H new ATOM 0 HG22 VAL A 39 3.594 3.878 1.456 1.00 0.25 H new ATOM 0 HG23 VAL A 39 5.018 4.218 0.444 1.00 0.25 H new ATOM 597 N LEU A 40 5.580 4.427 5.453 1.00 0.36 N ATOM 598 CA LEU A 40 6.225 4.297 6.790 1.00 0.41 C ATOM 599 C LEU A 40 5.761 3.024 7.509 1.00 0.41 C ATOM 600 O LEU A 40 6.535 2.377 8.186 1.00 0.48 O ATOM 601 CB LEU A 40 5.865 5.517 7.642 1.00 0.47 C ATOM 602 CG LEU A 40 6.678 5.497 8.936 1.00 0.74 C ATOM 603 CD1 LEU A 40 8.115 5.933 8.644 1.00 1.36 C ATOM 604 CD2 LEU A 40 6.049 6.460 9.946 1.00 1.78 C ATOM 0 H LEU A 40 4.562 4.367 5.449 1.00 0.36 H new ATOM 0 HA LEU A 40 7.304 4.237 6.648 1.00 0.41 H new ATOM 0 HB2 LEU A 40 6.068 6.433 7.087 1.00 0.47 H new ATOM 0 HB3 LEU A 40 4.799 5.512 7.870 1.00 0.47 H new ATOM 0 HG LEU A 40 6.682 4.488 9.347 1.00 0.74 H new ATOM 0 HD11 LEU A 40 8.694 5.919 9.567 1.00 1.36 H new ATOM 0 HD12 LEU A 40 8.563 5.249 7.923 1.00 1.36 H new ATOM 0 HD13 LEU A 40 8.113 6.943 8.233 1.00 1.36 H new ATOM 0 HD21 LEU A 40 6.627 6.447 10.870 1.00 1.78 H new ATOM 0 HD22 LEU A 40 6.046 7.469 9.534 1.00 1.78 H new ATOM 0 HD23 LEU A 40 5.025 6.150 10.155 1.00 1.78 H new ATOM 616 N ALA A 41 4.511 2.664 7.396 1.00 0.38 N ATOM 617 CA ALA A 41 4.034 1.444 8.110 1.00 0.42 C ATOM 618 C ALA A 41 3.131 0.605 7.203 1.00 0.40 C ATOM 619 O ALA A 41 1.984 0.934 6.981 1.00 0.58 O ATOM 620 CB ALA A 41 3.244 1.873 9.346 1.00 0.49 C ATOM 0 H ALA A 41 3.806 3.155 6.847 1.00 0.38 H new ATOM 0 HA ALA A 41 4.896 0.842 8.397 1.00 0.42 H new ATOM 0 HB1 ALA A 41 2.890 0.989 9.876 1.00 0.49 H new ATOM 0 HB2 ALA A 41 3.887 2.458 10.004 1.00 0.49 H new ATOM 0 HB3 ALA A 41 2.391 2.479 9.040 1.00 0.49 H new ATOM 626 N VAL A 42 3.633 -0.488 6.692 1.00 0.39 N ATOM 627 CA VAL A 42 2.794 -1.354 5.814 1.00 0.37 C ATOM 628 C VAL A 42 2.675 -2.746 6.435 1.00 0.43 C ATOM 629 O VAL A 42 3.256 -3.701 5.960 1.00 0.57 O ATOM 630 CB VAL A 42 3.441 -1.471 4.433 1.00 0.40 C ATOM 631 CG1 VAL A 42 2.523 -2.261 3.500 1.00 1.01 C ATOM 632 CG2 VAL A 42 3.659 -0.075 3.857 1.00 0.72 C ATOM 0 H VAL A 42 4.586 -0.818 6.844 1.00 0.39 H new ATOM 0 HA VAL A 42 1.803 -0.910 5.714 1.00 0.37 H new ATOM 0 HB VAL A 42 4.397 -1.986 4.525 1.00 0.40 H new ATOM 0 HG11 VAL A 42 2.987 -2.343 2.517 1.00 1.01 H new ATOM 0 HG12 VAL A 42 2.360 -3.258 3.908 1.00 1.01 H new ATOM 0 HG13 VAL A 42 1.567 -1.746 3.409 1.00 1.01 H new ATOM 0 HG21 VAL A 42 4.120 -0.155 2.873 1.00 0.72 H new ATOM 0 HG22 VAL A 42 2.700 0.436 3.768 1.00 0.72 H new ATOM 0 HG23 VAL A 42 4.313 0.494 4.518 1.00 0.72 H new ATOM 642 N GLN A 43 1.926 -2.870 7.496 1.00 0.49 N ATOM 643 CA GLN A 43 1.771 -4.200 8.147 1.00 0.58 C ATOM 644 C GLN A 43 0.911 -5.105 7.264 1.00 0.50 C ATOM 645 O GLN A 43 0.138 -4.641 6.449 1.00 0.64 O ATOM 646 CB GLN A 43 1.090 -4.022 9.505 1.00 0.69 C ATOM 647 CG GLN A 43 2.153 -3.828 10.588 1.00 1.26 C ATOM 648 CD GLN A 43 1.510 -3.207 11.829 1.00 1.66 C ATOM 649 OE1 GLN A 43 1.467 -2.000 11.966 1.00 2.16 O ATOM 650 NE2 GLN A 43 1.004 -3.986 12.746 1.00 2.29 N ATOM 0 H GLN A 43 1.415 -2.107 7.940 1.00 0.49 H new ATOM 0 HA GLN A 43 2.752 -4.654 8.285 1.00 0.58 H new ATOM 0 HB2 GLN A 43 0.422 -3.161 9.478 1.00 0.69 H new ATOM 0 HB3 GLN A 43 0.478 -4.894 9.734 1.00 0.69 H new ATOM 0 HG2 GLN A 43 2.608 -4.786 10.842 1.00 1.26 H new ATOM 0 HG3 GLN A 43 2.951 -3.184 10.218 1.00 1.26 H new ATOM 0 HE21 GLN A 43 1.040 -4.999 12.631 1.00 2.29 H new ATOM 0 HE22 GLN A 43 0.573 -3.582 13.577 1.00 2.29 H new ATOM 659 N ILE A 44 1.036 -6.394 7.421 1.00 0.44 N ATOM 660 CA ILE A 44 0.222 -7.328 6.594 1.00 0.40 C ATOM 661 C ILE A 44 -0.888 -7.928 7.459 1.00 0.46 C ATOM 662 O ILE A 44 -0.893 -7.784 8.665 1.00 0.53 O ATOM 663 CB ILE A 44 1.117 -8.447 6.057 1.00 0.52 C ATOM 664 CG1 ILE A 44 2.279 -7.837 5.269 1.00 0.64 C ATOM 665 CG2 ILE A 44 0.301 -9.356 5.135 1.00 0.61 C ATOM 666 CD1 ILE A 44 3.446 -7.556 6.217 1.00 0.41 C ATOM 0 H ILE A 44 1.667 -6.841 8.086 1.00 0.44 H new ATOM 0 HA ILE A 44 -0.220 -6.788 5.757 1.00 0.40 H new ATOM 0 HB ILE A 44 1.508 -9.030 6.891 1.00 0.52 H new ATOM 0 HG12 ILE A 44 2.594 -8.519 4.479 1.00 0.64 H new ATOM 0 HG13 ILE A 44 1.959 -6.914 4.785 1.00 0.64 H new ATOM 0 HG21 ILE A 44 0.939 -10.153 4.753 1.00 0.61 H new ATOM 0 HG22 ILE A 44 -0.528 -9.791 5.693 1.00 0.61 H new ATOM 0 HG23 ILE A 44 -0.090 -8.772 4.301 1.00 0.61 H new ATOM 0 HD11 ILE A 44 4.274 -7.122 5.656 1.00 0.41 H new ATOM 0 HD12 ILE A 44 3.126 -6.858 6.991 1.00 0.41 H new ATOM 0 HD13 ILE A 44 3.771 -8.488 6.680 1.00 0.41 H new ATOM 678 N ASN A 45 -1.833 -8.596 6.855 1.00 0.72 N ATOM 679 CA ASN A 45 -2.941 -9.198 7.650 1.00 0.88 C ATOM 680 C ASN A 45 -3.103 -10.673 7.277 1.00 0.73 C ATOM 681 O ASN A 45 -2.931 -11.059 6.137 1.00 0.80 O ATOM 682 CB ASN A 45 -4.242 -8.451 7.351 1.00 1.37 C ATOM 683 CG ASN A 45 -4.813 -7.878 8.649 1.00 2.06 C ATOM 684 OD1 ASN A 45 -4.844 -6.678 8.835 1.00 2.48 O ATOM 685 ND2 ASN A 45 -5.268 -8.691 9.562 1.00 2.79 N ATOM 0 H ASN A 45 -1.886 -8.751 5.848 1.00 0.72 H new ATOM 0 HA ASN A 45 -2.708 -9.120 8.712 1.00 0.88 H new ATOM 0 HB2 ASN A 45 -4.057 -7.648 6.637 1.00 1.37 H new ATOM 0 HB3 ASN A 45 -4.964 -9.126 6.891 1.00 1.37 H new ATOM 0 HD21 ASN A 45 -5.650 -8.319 10.432 1.00 2.79 H new ATOM 0 HD22 ASN A 45 -5.242 -9.699 9.406 1.00 2.79 H new ATOM 692 N GLN A 46 -3.435 -11.501 8.231 1.00 1.08 N ATOM 693 CA GLN A 46 -3.609 -12.952 7.936 1.00 1.62 C ATOM 694 C GLN A 46 -5.055 -13.215 7.509 1.00 1.81 C ATOM 695 O GLN A 46 -5.708 -12.365 6.937 1.00 2.10 O ATOM 696 CB GLN A 46 -3.294 -13.773 9.189 1.00 2.43 C ATOM 697 CG GLN A 46 -2.095 -13.163 9.921 1.00 3.22 C ATOM 698 CD GLN A 46 -2.507 -12.780 11.343 1.00 4.12 C ATOM 699 OE1 GLN A 46 -2.186 -11.706 11.813 1.00 4.59 O ATOM 700 NE2 GLN A 46 -3.209 -13.618 12.055 1.00 4.73 N ATOM 0 H GLN A 46 -3.593 -11.235 9.203 1.00 1.08 H new ATOM 0 HA GLN A 46 -2.931 -13.241 7.133 1.00 1.62 H new ATOM 0 HB2 GLN A 46 -4.162 -13.795 9.848 1.00 2.43 H new ATOM 0 HB3 GLN A 46 -3.077 -14.805 8.914 1.00 2.43 H new ATOM 0 HG2 GLN A 46 -1.271 -13.876 9.949 1.00 3.22 H new ATOM 0 HG3 GLN A 46 -1.737 -12.284 9.385 1.00 3.22 H new ATOM 0 HE21 GLN A 46 -3.479 -14.520 11.662 1.00 4.73 H new ATOM 0 HE22 GLN A 46 -3.488 -13.372 13.005 1.00 4.73 H new ATOM 709 N ASP A 47 -5.561 -14.387 7.785 1.00 2.45 N ATOM 710 CA ASP A 47 -6.965 -14.703 7.397 1.00 3.25 C ATOM 711 C ASP A 47 -7.099 -14.622 5.869 1.00 2.95 C ATOM 712 O ASP A 47 -6.361 -15.262 5.146 1.00 3.04 O ATOM 713 CB ASP A 47 -7.908 -13.701 8.069 1.00 4.19 C ATOM 714 CG ASP A 47 -7.814 -13.849 9.588 1.00 4.67 C ATOM 715 OD1 ASP A 47 -7.648 -14.968 10.045 1.00 5.06 O ATOM 716 OD2 ASP A 47 -7.909 -12.841 10.269 1.00 5.00 O ATOM 0 H ASP A 47 -5.063 -15.138 8.262 1.00 2.45 H new ATOM 0 HA ASP A 47 -7.227 -15.710 7.721 1.00 3.25 H new ATOM 0 HB2 ASP A 47 -7.645 -12.685 7.775 1.00 4.19 H new ATOM 0 HB3 ASP A 47 -8.933 -13.873 7.739 1.00 4.19 H new ATOM 721 N LYS A 48 -8.025 -13.846 5.364 1.00 3.04 N ATOM 722 CA LYS A 48 -8.181 -13.743 3.885 1.00 2.85 C ATOM 723 C LYS A 48 -6.830 -13.405 3.251 1.00 1.81 C ATOM 724 O LYS A 48 -6.621 -13.611 2.072 1.00 2.15 O ATOM 725 CB LYS A 48 -9.188 -12.640 3.554 1.00 3.57 C ATOM 726 CG LYS A 48 -10.480 -13.270 3.029 1.00 4.31 C ATOM 727 CD LYS A 48 -10.307 -13.639 1.554 1.00 4.96 C ATOM 728 CE LYS A 48 -9.859 -15.097 1.442 1.00 5.76 C ATOM 729 NZ LYS A 48 -10.518 -15.730 0.265 1.00 6.12 N ATOM 0 H LYS A 48 -8.676 -13.283 5.911 1.00 3.04 H new ATOM 0 HA LYS A 48 -8.540 -14.694 3.491 1.00 2.85 H new ATOM 0 HB2 LYS A 48 -9.396 -12.044 4.443 1.00 3.57 H new ATOM 0 HB3 LYS A 48 -8.771 -11.964 2.808 1.00 3.57 H new ATOM 0 HG2 LYS A 48 -10.726 -14.159 3.610 1.00 4.31 H new ATOM 0 HG3 LYS A 48 -11.310 -12.573 3.145 1.00 4.31 H new ATOM 0 HD2 LYS A 48 -11.246 -13.494 1.019 1.00 4.96 H new ATOM 0 HD3 LYS A 48 -9.570 -12.984 1.088 1.00 4.96 H new ATOM 0 HE2 LYS A 48 -8.775 -15.149 1.337 1.00 5.76 H new ATOM 0 HE3 LYS A 48 -10.117 -15.639 2.352 1.00 5.76 H new ATOM 0 HZ1 LYS A 48 -10.214 -16.722 0.188 1.00 6.12 H new ATOM 0 HZ2 LYS A 48 -11.551 -15.693 0.384 1.00 6.12 H new ATOM 0 HZ3 LYS A 48 -10.250 -15.218 -0.600 1.00 6.12 H new ATOM 743 N ASN A 49 -5.915 -12.885 4.025 1.00 1.11 N ATOM 744 CA ASN A 49 -4.574 -12.527 3.479 1.00 1.14 C ATOM 745 C ASN A 49 -4.655 -11.177 2.766 1.00 0.89 C ATOM 746 O ASN A 49 -5.040 -11.088 1.617 1.00 1.04 O ATOM 747 CB ASN A 49 -4.108 -13.602 2.493 1.00 2.12 C ATOM 748 CG ASN A 49 -4.460 -14.986 3.041 1.00 2.82 C ATOM 749 OD1 ASN A 49 -4.142 -15.305 4.169 1.00 3.09 O ATOM 750 ND2 ASN A 49 -5.108 -15.828 2.283 1.00 3.68 N ATOM 0 H ASN A 49 -6.040 -12.692 5.019 1.00 1.11 H new ATOM 0 HA ASN A 49 -3.860 -12.462 4.300 1.00 1.14 H new ATOM 0 HB2 ASN A 49 -4.583 -13.452 1.524 1.00 2.12 H new ATOM 0 HB3 ASN A 49 -3.032 -13.524 2.336 1.00 2.12 H new ATOM 0 HD21 ASN A 49 -5.347 -16.754 2.638 1.00 3.68 H new ATOM 0 HD22 ASN A 49 -5.375 -15.560 1.336 1.00 3.68 H new ATOM 757 N PHE A 50 -4.284 -10.125 3.442 1.00 0.58 N ATOM 758 CA PHE A 50 -4.323 -8.773 2.814 1.00 0.44 C ATOM 759 C PHE A 50 -3.281 -7.884 3.493 1.00 0.34 C ATOM 760 O PHE A 50 -2.714 -8.247 4.505 1.00 0.40 O ATOM 761 CB PHE A 50 -5.718 -8.160 2.976 1.00 0.55 C ATOM 762 CG PHE A 50 -6.262 -8.475 4.350 1.00 0.67 C ATOM 763 CD1 PHE A 50 -6.676 -9.776 4.657 1.00 1.47 C ATOM 764 CD2 PHE A 50 -6.357 -7.463 5.313 1.00 1.39 C ATOM 765 CE1 PHE A 50 -7.187 -10.066 5.928 1.00 1.64 C ATOM 766 CE2 PHE A 50 -6.867 -7.754 6.584 1.00 1.57 C ATOM 767 CZ PHE A 50 -7.282 -9.055 6.892 1.00 1.22 C ATOM 0 H PHE A 50 -3.954 -10.143 4.407 1.00 0.58 H new ATOM 0 HA PHE A 50 -4.101 -8.855 1.750 1.00 0.44 H new ATOM 0 HB2 PHE A 50 -5.669 -7.080 2.833 1.00 0.55 H new ATOM 0 HB3 PHE A 50 -6.388 -8.552 2.211 1.00 0.55 H new ATOM 0 HD1 PHE A 50 -6.601 -10.556 3.914 1.00 1.47 H new ATOM 0 HD2 PHE A 50 -6.037 -6.459 5.076 1.00 1.39 H new ATOM 0 HE1 PHE A 50 -7.508 -11.070 6.165 1.00 1.64 H new ATOM 0 HE2 PHE A 50 -6.940 -6.974 7.327 1.00 1.57 H new ATOM 0 HZ PHE A 50 -7.675 -9.279 7.873 1.00 1.22 H new ATOM 777 N ALA A 51 -3.004 -6.733 2.944 1.00 0.25 N ATOM 778 CA ALA A 51 -1.977 -5.855 3.571 1.00 0.22 C ATOM 779 C ALA A 51 -2.421 -4.391 3.538 1.00 0.19 C ATOM 780 O ALA A 51 -3.354 -4.023 2.855 1.00 0.28 O ATOM 781 CB ALA A 51 -0.669 -5.997 2.796 1.00 0.25 C ATOM 0 H ALA A 51 -3.439 -6.366 2.098 1.00 0.25 H new ATOM 0 HA ALA A 51 -1.842 -6.155 4.610 1.00 0.22 H new ATOM 0 HB1 ALA A 51 0.091 -5.359 3.246 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -0.337 -7.035 2.829 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -0.826 -5.699 1.759 1.00 0.25 H new ATOM 787 N PHE A 52 -1.734 -3.554 4.268 1.00 0.19 N ATOM 788 CA PHE A 52 -2.074 -2.103 4.291 1.00 0.18 C ATOM 789 C PHE A 52 -0.776 -1.306 4.154 1.00 0.19 C ATOM 790 O PHE A 52 0.268 -1.749 4.583 1.00 0.23 O ATOM 791 CB PHE A 52 -2.742 -1.751 5.622 1.00 0.20 C ATOM 792 CG PHE A 52 -4.242 -1.827 5.479 1.00 0.24 C ATOM 793 CD1 PHE A 52 -4.949 -0.749 4.934 1.00 1.21 C ATOM 794 CD2 PHE A 52 -4.928 -2.973 5.900 1.00 1.27 C ATOM 795 CE1 PHE A 52 -6.342 -0.817 4.808 1.00 1.23 C ATOM 796 CE2 PHE A 52 -6.320 -3.041 5.773 1.00 1.32 C ATOM 797 CZ PHE A 52 -7.027 -1.963 5.228 1.00 0.48 C ATOM 0 H PHE A 52 -0.943 -3.817 4.856 1.00 0.19 H new ATOM 0 HA PHE A 52 -2.757 -1.866 3.475 1.00 0.18 H new ATOM 0 HB2 PHE A 52 -2.407 -2.437 6.400 1.00 0.20 H new ATOM 0 HB3 PHE A 52 -2.448 -0.749 5.933 1.00 0.20 H new ATOM 0 HD1 PHE A 52 -4.420 0.135 4.611 1.00 1.21 H new ATOM 0 HD2 PHE A 52 -4.383 -3.804 6.323 1.00 1.27 H new ATOM 0 HE1 PHE A 52 -6.888 0.015 4.387 1.00 1.23 H new ATOM 0 HE2 PHE A 52 -6.849 -3.926 6.096 1.00 1.32 H new ATOM 0 HZ PHE A 52 -8.101 -2.015 5.132 1.00 0.48 H new ATOM 807 N LEU A 53 -0.820 -0.142 3.568 1.00 0.20 N ATOM 808 CA LEU A 53 0.436 0.652 3.424 1.00 0.22 C ATOM 809 C LEU A 53 0.232 2.018 4.079 1.00 0.25 C ATOM 810 O LEU A 53 -0.603 2.800 3.669 1.00 0.29 O ATOM 811 CB LEU A 53 0.782 0.828 1.941 1.00 0.26 C ATOM 812 CG LEU A 53 0.450 -0.455 1.173 1.00 0.35 C ATOM 813 CD1 LEU A 53 -0.395 -0.112 -0.055 1.00 0.65 C ATOM 814 CD2 LEU A 53 1.747 -1.126 0.722 1.00 0.74 C ATOM 0 H LEU A 53 -1.660 0.292 3.186 1.00 0.20 H new ATOM 0 HA LEU A 53 1.259 0.128 3.910 1.00 0.22 H new ATOM 0 HB2 LEU A 53 0.223 1.666 1.525 1.00 0.26 H new ATOM 0 HB3 LEU A 53 1.840 1.065 1.831 1.00 0.26 H new ATOM 0 HG LEU A 53 -0.107 -1.132 1.821 1.00 0.35 H new ATOM 0 HD11 LEU A 53 -0.631 -1.025 -0.601 1.00 0.65 H new ATOM 0 HD12 LEU A 53 -1.320 0.370 0.263 1.00 0.65 H new ATOM 0 HD13 LEU A 53 0.163 0.564 -0.703 1.00 0.65 H new ATOM 0 HD21 LEU A 53 1.513 -2.039 0.175 1.00 0.74 H new ATOM 0 HD22 LEU A 53 2.302 -0.447 0.074 1.00 0.74 H new ATOM 0 HD23 LEU A 53 2.353 -1.371 1.595 1.00 0.74 H new ATOM 826 N GLU A 54 0.978 2.297 5.111 1.00 0.29 N ATOM 827 CA GLU A 54 0.828 3.594 5.822 1.00 0.36 C ATOM 828 C GLU A 54 1.855 4.602 5.310 1.00 0.35 C ATOM 829 O GLU A 54 3.048 4.377 5.373 1.00 0.36 O ATOM 830 CB GLU A 54 1.049 3.361 7.313 1.00 0.43 C ATOM 831 CG GLU A 54 0.495 4.543 8.110 1.00 0.51 C ATOM 832 CD GLU A 54 0.523 4.210 9.602 1.00 1.56 C ATOM 833 OE1 GLU A 54 1.062 3.171 9.946 1.00 2.24 O ATOM 834 OE2 GLU A 54 0.006 4.999 10.376 1.00 2.39 O ATOM 0 H GLU A 54 1.691 1.676 5.494 1.00 0.29 H new ATOM 0 HA GLU A 54 -0.171 3.991 5.643 1.00 0.36 H new ATOM 0 HB2 GLU A 54 0.557 2.439 7.623 1.00 0.43 H new ATOM 0 HB3 GLU A 54 2.113 3.239 7.518 1.00 0.43 H new ATOM 0 HG2 GLU A 54 1.088 5.437 7.915 1.00 0.51 H new ATOM 0 HG3 GLU A 54 -0.525 4.762 7.794 1.00 0.51 H new ATOM 841 N PHE A 55 1.402 5.719 4.814 1.00 0.37 N ATOM 842 CA PHE A 55 2.353 6.748 4.311 1.00 0.39 C ATOM 843 C PHE A 55 2.376 7.927 5.278 1.00 0.45 C ATOM 844 O PHE A 55 1.368 8.555 5.534 1.00 0.55 O ATOM 845 CB PHE A 55 1.912 7.238 2.935 1.00 0.43 C ATOM 846 CG PHE A 55 1.408 6.068 2.130 1.00 0.36 C ATOM 847 CD1 PHE A 55 2.033 4.827 2.259 1.00 1.23 C ATOM 848 CD2 PHE A 55 0.320 6.218 1.261 1.00 1.23 C ATOM 849 CE1 PHE A 55 1.575 3.732 1.524 1.00 1.21 C ATOM 850 CE2 PHE A 55 -0.139 5.119 0.522 1.00 1.24 C ATOM 851 CZ PHE A 55 0.490 3.874 0.656 1.00 0.29 C ATOM 0 H PHE A 55 0.415 5.964 4.735 1.00 0.37 H new ATOM 0 HA PHE A 55 3.348 6.309 4.235 1.00 0.39 H new ATOM 0 HB2 PHE A 55 1.129 7.989 3.037 1.00 0.43 H new ATOM 0 HB3 PHE A 55 2.746 7.716 2.421 1.00 0.43 H new ATOM 0 HD1 PHE A 55 2.873 4.713 2.929 1.00 1.23 H new ATOM 0 HD2 PHE A 55 -0.164 7.178 1.161 1.00 1.23 H new ATOM 0 HE1 PHE A 55 2.061 2.773 1.627 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -0.977 5.232 -0.150 1.00 1.24 H new ATOM 0 HZ PHE A 55 0.136 3.026 0.089 1.00 0.29 H new ATOM 861 N ARG A 56 3.520 8.234 5.815 1.00 0.44 N ATOM 862 CA ARG A 56 3.612 9.374 6.764 1.00 0.51 C ATOM 863 C ARG A 56 3.929 10.655 5.991 1.00 0.59 C ATOM 864 O ARG A 56 4.040 11.721 6.564 1.00 0.81 O ATOM 865 CB ARG A 56 4.724 9.101 7.779 1.00 0.53 C ATOM 866 CG ARG A 56 4.185 9.303 9.196 1.00 1.30 C ATOM 867 CD ARG A 56 5.266 9.945 10.066 1.00 1.95 C ATOM 868 NE ARG A 56 4.630 10.858 11.056 1.00 2.55 N ATOM 869 CZ ARG A 56 5.283 11.898 11.496 1.00 3.12 C ATOM 870 NH1 ARG A 56 5.829 12.729 10.651 1.00 3.71 N ATOM 871 NH2 ARG A 56 5.390 12.106 12.779 1.00 3.62 N ATOM 0 H ARG A 56 4.397 7.744 5.638 1.00 0.44 H new ATOM 0 HA ARG A 56 2.663 9.491 7.287 1.00 0.51 H new ATOM 0 HB2 ARG A 56 5.095 8.083 7.662 1.00 0.53 H new ATOM 0 HB3 ARG A 56 5.566 9.770 7.600 1.00 0.53 H new ATOM 0 HG2 ARG A 56 3.298 9.937 9.172 1.00 1.30 H new ATOM 0 HG3 ARG A 56 3.882 8.346 9.621 1.00 1.30 H new ATOM 0 HD2 ARG A 56 5.838 9.174 10.582 1.00 1.95 H new ATOM 0 HD3 ARG A 56 5.968 10.499 9.443 1.00 1.95 H new ATOM 0 HE ARG A 56 3.685 10.670 11.390 1.00 2.55 H new ATOM 0 HH11 ARG A 56 5.745 12.565 9.648 1.00 3.71 H new ATOM 0 HH12 ARG A 56 6.340 13.543 10.994 1.00 3.71 H new ATOM 0 HH21 ARG A 56 4.963 11.455 13.438 1.00 3.62 H new ATOM 0 HH22 ARG A 56 5.901 12.919 13.123 1.00 3.62 H new ATOM 885 N SER A 57 4.084 10.565 4.696 1.00 0.56 N ATOM 886 CA SER A 57 4.401 11.791 3.909 1.00 0.76 C ATOM 887 C SER A 57 4.081 11.576 2.426 1.00 0.74 C ATOM 888 O SER A 57 3.674 12.491 1.738 1.00 1.11 O ATOM 889 CB SER A 57 5.885 12.120 4.064 1.00 1.00 C ATOM 890 OG SER A 57 6.064 13.528 3.985 1.00 1.69 O ATOM 0 H SER A 57 4.006 9.704 4.154 1.00 0.56 H new ATOM 0 HA SER A 57 3.794 12.616 4.283 1.00 0.76 H new ATOM 0 HB2 SER A 57 6.254 11.748 5.020 1.00 1.00 H new ATOM 0 HB3 SER A 57 6.463 11.624 3.284 1.00 1.00 H new ATOM 0 HG SER A 57 7.015 13.743 4.086 1.00 1.69 H new ATOM 896 N VAL A 58 4.279 10.387 1.920 1.00 0.68 N ATOM 897 CA VAL A 58 3.999 10.141 0.474 1.00 0.65 C ATOM 898 C VAL A 58 2.680 10.813 0.077 1.00 0.83 C ATOM 899 O VAL A 58 1.643 10.572 0.660 1.00 1.69 O ATOM 900 CB VAL A 58 3.927 8.631 0.200 1.00 0.57 C ATOM 901 CG1 VAL A 58 2.470 8.165 0.182 1.00 1.07 C ATOM 902 CG2 VAL A 58 4.563 8.338 -1.162 1.00 1.22 C ATOM 0 H VAL A 58 4.620 9.580 2.442 1.00 0.68 H new ATOM 0 HA VAL A 58 4.807 10.567 -0.122 1.00 0.65 H new ATOM 0 HB VAL A 58 4.461 8.100 0.988 1.00 0.57 H new ATOM 0 HG11 VAL A 58 2.433 7.093 -0.013 1.00 1.07 H new ATOM 0 HG12 VAL A 58 2.009 8.374 1.147 1.00 1.07 H new ATOM 0 HG13 VAL A 58 1.928 8.695 -0.601 1.00 1.07 H new ATOM 0 HG21 VAL A 58 4.515 7.268 -1.363 1.00 1.22 H new ATOM 0 HG22 VAL A 58 4.023 8.878 -1.940 1.00 1.22 H new ATOM 0 HG23 VAL A 58 5.604 8.660 -1.154 1.00 1.22 H new ATOM 912 N ASP A 59 2.717 11.660 -0.916 1.00 1.05 N ATOM 913 CA ASP A 59 1.472 12.348 -1.359 1.00 1.13 C ATOM 914 C ASP A 59 0.884 11.584 -2.543 1.00 0.78 C ATOM 915 O ASP A 59 0.460 12.161 -3.525 1.00 1.12 O ATOM 916 CB ASP A 59 1.801 13.780 -1.787 1.00 1.71 C ATOM 917 CG ASP A 59 1.202 14.764 -0.780 1.00 2.35 C ATOM 918 OD1 ASP A 59 1.644 14.761 0.357 1.00 2.71 O ATOM 919 OD2 ASP A 59 0.312 15.505 -1.164 1.00 3.05 O ATOM 0 H ASP A 59 3.557 11.905 -1.440 1.00 1.05 H new ATOM 0 HA ASP A 59 0.753 12.377 -0.540 1.00 1.13 H new ATOM 0 HB2 ASP A 59 2.881 13.915 -1.845 1.00 1.71 H new ATOM 0 HB3 ASP A 59 1.402 13.974 -2.783 1.00 1.71 H new ATOM 924 N GLU A 60 0.866 10.284 -2.457 1.00 0.60 N ATOM 925 CA GLU A 60 0.320 9.464 -3.572 1.00 0.96 C ATOM 926 C GLU A 60 -0.805 8.569 -3.045 1.00 0.67 C ATOM 927 O GLU A 60 -1.385 7.791 -3.775 1.00 0.62 O ATOM 928 CB GLU A 60 1.437 8.587 -4.140 1.00 1.56 C ATOM 929 CG GLU A 60 1.071 8.157 -5.560 1.00 2.18 C ATOM 930 CD GLU A 60 2.339 8.068 -6.412 1.00 3.03 C ATOM 931 OE1 GLU A 60 3.295 7.463 -5.956 1.00 3.60 O ATOM 932 OE2 GLU A 60 2.332 8.607 -7.506 1.00 3.59 O ATOM 0 H GLU A 60 1.208 9.751 -1.657 1.00 0.60 H new ATOM 0 HA GLU A 60 -0.071 10.118 -4.351 1.00 0.96 H new ATOM 0 HB2 GLU A 60 2.379 9.136 -4.146 1.00 1.56 H new ATOM 0 HB3 GLU A 60 1.583 7.710 -3.509 1.00 1.56 H new ATOM 0 HG2 GLU A 60 0.566 7.191 -5.540 1.00 2.18 H new ATOM 0 HG3 GLU A 60 0.375 8.872 -5.999 1.00 2.18 H new ATOM 939 N THR A 61 -1.114 8.670 -1.780 1.00 0.64 N ATOM 940 CA THR A 61 -2.196 7.822 -1.204 1.00 0.55 C ATOM 941 C THR A 61 -3.391 7.781 -2.160 1.00 0.51 C ATOM 942 O THR A 61 -4.166 6.846 -2.158 1.00 0.54 O ATOM 943 CB THR A 61 -2.640 8.409 0.139 1.00 0.77 C ATOM 944 OG1 THR A 61 -3.806 7.731 0.587 1.00 0.92 O ATOM 945 CG2 THR A 61 -2.946 9.898 -0.029 1.00 0.98 C ATOM 0 H THR A 61 -0.663 9.304 -1.120 1.00 0.64 H new ATOM 0 HA THR A 61 -1.819 6.810 -1.057 1.00 0.55 H new ATOM 0 HB THR A 61 -1.843 8.285 0.872 1.00 0.77 H new ATOM 0 HG1 THR A 61 -4.368 8.350 1.098 1.00 0.92 H new ATOM 0 HG21 THR A 61 -3.262 10.315 0.927 1.00 0.98 H new ATOM 0 HG22 THR A 61 -2.051 10.417 -0.373 1.00 0.98 H new ATOM 0 HG23 THR A 61 -3.743 10.025 -0.761 1.00 0.98 H new ATOM 953 N THR A 62 -3.553 8.790 -2.973 1.00 0.54 N ATOM 954 CA THR A 62 -4.705 8.806 -3.918 1.00 0.55 C ATOM 955 C THR A 62 -4.337 8.071 -5.208 1.00 0.47 C ATOM 956 O THR A 62 -5.115 7.302 -5.738 1.00 0.49 O ATOM 957 CB THR A 62 -5.073 10.255 -4.246 1.00 0.66 C ATOM 958 OG1 THR A 62 -6.392 10.299 -4.771 1.00 0.72 O ATOM 959 CG2 THR A 62 -4.091 10.811 -5.279 1.00 0.65 C ATOM 0 H THR A 62 -2.938 9.602 -3.023 1.00 0.54 H new ATOM 0 HA THR A 62 -5.554 8.306 -3.453 1.00 0.55 H new ATOM 0 HB THR A 62 -5.022 10.858 -3.339 1.00 0.66 H new ATOM 0 HG1 THR A 62 -6.630 11.226 -4.980 1.00 0.72 H new ATOM 0 HG21 THR A 62 -4.354 11.843 -5.512 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.079 10.777 -4.875 1.00 0.65 H new ATOM 0 HG23 THR A 62 -4.139 10.210 -6.187 1.00 0.65 H new ATOM 967 N GLN A 63 -3.163 8.305 -5.723 1.00 0.48 N ATOM 968 CA GLN A 63 -2.756 7.622 -6.986 1.00 0.53 C ATOM 969 C GLN A 63 -2.147 6.259 -6.663 1.00 0.44 C ATOM 970 O GLN A 63 -2.021 5.411 -7.522 1.00 0.40 O ATOM 971 CB GLN A 63 -1.726 8.475 -7.728 1.00 0.72 C ATOM 972 CG GLN A 63 -2.108 9.952 -7.622 1.00 0.83 C ATOM 973 CD GLN A 63 -1.005 10.809 -8.247 1.00 0.91 C ATOM 974 OE1 GLN A 63 0.091 10.882 -7.727 1.00 1.39 O ATOM 975 NE2 GLN A 63 -1.250 11.465 -9.348 1.00 1.49 N ATOM 0 H GLN A 63 -2.468 8.938 -5.327 1.00 0.48 H new ATOM 0 HA GLN A 63 -3.635 7.487 -7.616 1.00 0.53 H new ATOM 0 HB2 GLN A 63 -0.734 8.315 -7.305 1.00 0.72 H new ATOM 0 HB3 GLN A 63 -1.678 8.176 -8.775 1.00 0.72 H new ATOM 0 HG2 GLN A 63 -3.055 10.131 -8.131 1.00 0.83 H new ATOM 0 HG3 GLN A 63 -2.250 10.228 -6.577 1.00 0.83 H new ATOM 0 HE21 GLN A 63 -2.170 11.404 -9.784 1.00 1.49 H new ATOM 0 HE22 GLN A 63 -0.522 12.039 -9.772 1.00 1.49 H new ATOM 984 N ALA A 64 -1.770 6.033 -5.434 1.00 0.47 N ATOM 985 CA ALA A 64 -1.178 4.713 -5.081 1.00 0.42 C ATOM 986 C ALA A 64 -2.079 3.610 -5.630 1.00 0.38 C ATOM 987 O ALA A 64 -1.621 2.547 -5.998 1.00 0.36 O ATOM 988 CB ALA A 64 -1.069 4.587 -3.561 1.00 0.52 C ATOM 0 H ALA A 64 -1.846 6.699 -4.665 1.00 0.47 H new ATOM 0 HA ALA A 64 -0.181 4.624 -5.513 1.00 0.42 H new ATOM 0 HB1 ALA A 64 -0.635 3.620 -3.306 1.00 0.52 H new ATOM 0 HB2 ALA A 64 -0.433 5.383 -3.175 1.00 0.52 H new ATOM 0 HB3 ALA A 64 -2.061 4.668 -3.117 1.00 0.52 H new ATOM 994 N MET A 65 -3.357 3.860 -5.708 1.00 0.41 N ATOM 995 CA MET A 65 -4.275 2.829 -6.259 1.00 0.41 C ATOM 996 C MET A 65 -3.806 2.476 -7.668 1.00 0.34 C ATOM 997 O MET A 65 -4.138 1.440 -8.210 1.00 0.35 O ATOM 998 CB MET A 65 -5.699 3.386 -6.314 1.00 0.49 C ATOM 999 CG MET A 65 -6.177 3.706 -4.897 1.00 0.61 C ATOM 1000 SD MET A 65 -7.634 4.777 -4.980 1.00 1.32 S ATOM 1001 CE MET A 65 -8.708 3.626 -5.872 1.00 2.13 C ATOM 0 H MET A 65 -3.802 4.730 -5.415 1.00 0.41 H new ATOM 0 HA MET A 65 -4.269 1.941 -5.627 1.00 0.41 H new ATOM 0 HB2 MET A 65 -5.726 4.285 -6.930 1.00 0.49 H new ATOM 0 HB3 MET A 65 -6.367 2.661 -6.779 1.00 0.49 H new ATOM 0 HG2 MET A 65 -6.419 2.785 -4.367 1.00 0.61 H new ATOM 0 HG3 MET A 65 -5.382 4.198 -4.336 1.00 0.61 H new ATOM 0 HE1 MET A 65 -9.692 4.075 -6.004 1.00 2.13 H new ATOM 0 HE2 MET A 65 -8.275 3.406 -6.848 1.00 2.13 H new ATOM 0 HE3 MET A 65 -8.804 2.702 -5.302 1.00 2.13 H new ATOM 1011 N ALA A 66 -3.025 3.339 -8.260 1.00 0.32 N ATOM 1012 CA ALA A 66 -2.514 3.074 -9.630 1.00 0.30 C ATOM 1013 C ALA A 66 -1.756 1.747 -9.637 1.00 0.27 C ATOM 1014 O ALA A 66 -1.760 1.027 -10.616 1.00 0.29 O ATOM 1015 CB ALA A 66 -1.576 4.209 -10.048 1.00 0.33 C ATOM 0 H ALA A 66 -2.719 4.221 -7.849 1.00 0.32 H new ATOM 0 HA ALA A 66 -3.347 3.018 -10.331 1.00 0.30 H new ATOM 0 HB1 ALA A 66 -1.199 4.018 -11.053 1.00 0.33 H new ATOM 0 HB2 ALA A 66 -2.120 5.153 -10.038 1.00 0.33 H new ATOM 0 HB3 ALA A 66 -0.740 4.265 -9.351 1.00 0.33 H new ATOM 1021 N PHE A 67 -1.115 1.404 -8.549 1.00 0.25 N ATOM 1022 CA PHE A 67 -0.378 0.109 -8.512 1.00 0.24 C ATOM 1023 C PHE A 67 -1.372 -1.018 -8.227 1.00 0.22 C ATOM 1024 O PHE A 67 -0.995 -2.163 -8.077 1.00 0.23 O ATOM 1025 CB PHE A 67 0.690 0.130 -7.414 1.00 0.26 C ATOM 1026 CG PHE A 67 1.502 1.400 -7.508 1.00 0.27 C ATOM 1027 CD1 PHE A 67 2.296 1.641 -8.635 1.00 1.13 C ATOM 1028 CD2 PHE A 67 1.469 2.332 -6.463 1.00 1.30 C ATOM 1029 CE1 PHE A 67 3.058 2.814 -8.718 1.00 1.13 C ATOM 1030 CE2 PHE A 67 2.229 3.505 -6.547 1.00 1.32 C ATOM 1031 CZ PHE A 67 3.023 3.746 -7.674 1.00 0.36 C ATOM 0 H PHE A 67 -1.071 1.959 -7.694 1.00 0.25 H new ATOM 0 HA PHE A 67 0.111 -0.050 -9.473 1.00 0.24 H new ATOM 0 HB2 PHE A 67 0.217 0.062 -6.434 1.00 0.26 H new ATOM 0 HB3 PHE A 67 1.343 -0.737 -7.514 1.00 0.26 H new ATOM 0 HD1 PHE A 67 2.321 0.923 -9.441 1.00 1.13 H new ATOM 0 HD2 PHE A 67 0.857 2.146 -5.593 1.00 1.30 H new ATOM 0 HE1 PHE A 67 3.672 2.999 -9.587 1.00 1.13 H new ATOM 0 HE2 PHE A 67 2.202 4.224 -5.742 1.00 1.32 H new ATOM 0 HZ PHE A 67 3.609 4.651 -7.738 1.00 0.36 H new ATOM 1041 N ASP A 68 -2.641 -0.698 -8.151 1.00 0.22 N ATOM 1042 CA ASP A 68 -3.667 -1.741 -7.879 1.00 0.22 C ATOM 1043 C ASP A 68 -3.315 -3.014 -8.648 1.00 0.21 C ATOM 1044 O ASP A 68 -3.520 -3.110 -9.841 1.00 0.26 O ATOM 1045 CB ASP A 68 -5.028 -1.223 -8.332 1.00 0.23 C ATOM 1046 CG ASP A 68 -6.057 -2.353 -8.265 1.00 0.25 C ATOM 1047 OD1 ASP A 68 -5.884 -3.237 -7.441 1.00 1.04 O ATOM 1048 OD2 ASP A 68 -7.001 -2.316 -9.038 1.00 1.12 O ATOM 0 H ASP A 68 -3.007 0.247 -8.267 1.00 0.22 H new ATOM 0 HA ASP A 68 -3.697 -1.966 -6.813 1.00 0.22 H new ATOM 0 HB2 ASP A 68 -5.342 -0.394 -7.698 1.00 0.23 H new ATOM 0 HB3 ASP A 68 -4.961 -0.838 -9.350 1.00 0.23 H new ATOM 1053 N GLY A 69 -2.773 -3.986 -7.970 1.00 0.19 N ATOM 1054 CA GLY A 69 -2.388 -5.250 -8.654 1.00 0.19 C ATOM 1055 C GLY A 69 -0.877 -5.258 -8.863 1.00 0.19 C ATOM 1056 O GLY A 69 -0.155 -5.964 -8.191 1.00 0.17 O ATOM 0 H GLY A 69 -2.580 -3.959 -6.969 1.00 0.19 H new ATOM 0 HA2 GLY A 69 -2.690 -6.110 -8.056 1.00 0.19 H new ATOM 0 HA3 GLY A 69 -2.902 -5.332 -9.612 1.00 0.19 H new ATOM 1060 N ILE A 70 -0.400 -4.464 -9.786 1.00 0.21 N ATOM 1061 CA ILE A 70 1.068 -4.400 -10.048 1.00 0.22 C ATOM 1062 C ILE A 70 1.659 -5.822 -9.949 1.00 0.21 C ATOM 1063 O ILE A 70 1.122 -6.747 -10.525 1.00 0.22 O ATOM 1064 CB ILE A 70 1.695 -3.412 -9.046 1.00 0.23 C ATOM 1065 CG1 ILE A 70 3.120 -3.038 -9.481 1.00 0.25 C ATOM 1066 CG2 ILE A 70 1.703 -3.994 -7.629 1.00 0.21 C ATOM 1067 CD1 ILE A 70 3.756 -2.142 -8.416 1.00 0.26 C ATOM 0 H ILE A 70 -0.968 -3.853 -10.373 1.00 0.21 H new ATOM 0 HA ILE A 70 1.286 -4.036 -11.052 1.00 0.22 H new ATOM 0 HB ILE A 70 1.085 -2.509 -9.036 1.00 0.23 H new ATOM 0 HG12 ILE A 70 3.718 -3.939 -9.619 1.00 0.25 H new ATOM 0 HG13 ILE A 70 3.096 -2.521 -10.440 1.00 0.25 H new ATOM 0 HG21 ILE A 70 2.151 -3.275 -6.943 1.00 0.21 H new ATOM 0 HG22 ILE A 70 0.680 -4.205 -7.317 1.00 0.21 H new ATOM 0 HG23 ILE A 70 2.283 -4.917 -7.618 1.00 0.21 H new ATOM 0 HD11 ILE A 70 4.768 -1.875 -8.722 1.00 0.26 H new ATOM 0 HD12 ILE A 70 3.161 -1.236 -8.300 1.00 0.26 H new ATOM 0 HD13 ILE A 70 3.793 -2.676 -7.466 1.00 0.26 H new ATOM 1079 N ILE A 71 2.739 -6.030 -9.243 1.00 0.21 N ATOM 1080 CA ILE A 71 3.299 -7.408 -9.152 1.00 0.22 C ATOM 1081 C ILE A 71 4.055 -7.570 -7.833 1.00 0.21 C ATOM 1082 O ILE A 71 5.060 -6.929 -7.599 1.00 0.28 O ATOM 1083 CB ILE A 71 4.253 -7.653 -10.320 1.00 0.26 C ATOM 1084 CG1 ILE A 71 3.441 -7.895 -11.595 1.00 0.29 C ATOM 1085 CG2 ILE A 71 5.114 -8.881 -10.024 1.00 0.30 C ATOM 1086 CD1 ILE A 71 2.529 -9.107 -11.396 1.00 0.30 C ATOM 0 H ILE A 71 3.252 -5.313 -8.731 1.00 0.21 H new ATOM 0 HA ILE A 71 2.484 -8.130 -9.193 1.00 0.22 H new ATOM 0 HB ILE A 71 4.895 -6.783 -10.456 1.00 0.26 H new ATOM 0 HG12 ILE A 71 2.846 -7.013 -11.833 1.00 0.29 H new ATOM 0 HG13 ILE A 71 4.110 -8.065 -12.439 1.00 0.29 H new ATOM 0 HG21 ILE A 71 5.795 -9.057 -10.857 1.00 0.30 H new ATOM 0 HG22 ILE A 71 5.689 -8.711 -9.114 1.00 0.30 H new ATOM 0 HG23 ILE A 71 4.472 -9.752 -9.890 1.00 0.30 H new ATOM 0 HD11 ILE A 71 1.950 -9.280 -12.303 1.00 0.30 H new ATOM 0 HD12 ILE A 71 3.135 -9.987 -11.179 1.00 0.30 H new ATOM 0 HD13 ILE A 71 1.851 -8.919 -10.564 1.00 0.30 H new ATOM 1098 N PHE A 72 3.579 -8.424 -6.970 1.00 0.24 N ATOM 1099 CA PHE A 72 4.269 -8.628 -5.667 1.00 0.25 C ATOM 1100 C PHE A 72 4.641 -10.104 -5.509 1.00 0.26 C ATOM 1101 O PHE A 72 3.820 -10.982 -5.684 1.00 0.33 O ATOM 1102 CB PHE A 72 3.336 -8.213 -4.530 1.00 0.26 C ATOM 1103 CG PHE A 72 4.100 -8.212 -3.230 1.00 0.26 C ATOM 1104 CD1 PHE A 72 5.180 -7.340 -3.056 1.00 1.23 C ATOM 1105 CD2 PHE A 72 3.729 -9.083 -2.199 1.00 1.23 C ATOM 1106 CE1 PHE A 72 5.891 -7.338 -1.851 1.00 1.23 C ATOM 1107 CE2 PHE A 72 4.439 -9.081 -0.993 1.00 1.25 C ATOM 1108 CZ PHE A 72 5.520 -8.209 -0.819 1.00 0.34 C ATOM 0 H PHE A 72 2.742 -8.989 -7.111 1.00 0.24 H new ATOM 0 HA PHE A 72 5.175 -8.022 -5.636 1.00 0.25 H new ATOM 0 HB2 PHE A 72 2.926 -7.222 -4.724 1.00 0.26 H new ATOM 0 HB3 PHE A 72 2.492 -8.900 -4.468 1.00 0.26 H new ATOM 0 HD1 PHE A 72 5.465 -6.668 -3.852 1.00 1.23 H new ATOM 0 HD2 PHE A 72 2.895 -9.756 -2.334 1.00 1.23 H new ATOM 0 HE1 PHE A 72 6.725 -6.665 -1.717 1.00 1.23 H new ATOM 0 HE2 PHE A 72 4.153 -9.752 -0.197 1.00 1.25 H new ATOM 0 HZ PHE A 72 6.068 -8.208 0.112 1.00 0.34 H new ATOM 1118 N GLN A 73 5.872 -10.384 -5.179 1.00 0.34 N ATOM 1119 CA GLN A 73 6.294 -11.803 -5.009 1.00 0.36 C ATOM 1120 C GLN A 73 5.756 -12.638 -6.173 1.00 0.36 C ATOM 1121 O GLN A 73 5.328 -13.762 -5.997 1.00 0.42 O ATOM 1122 CB GLN A 73 5.736 -12.347 -3.692 1.00 0.35 C ATOM 1123 CG GLN A 73 6.537 -13.579 -3.266 1.00 0.38 C ATOM 1124 CD GLN A 73 6.088 -14.022 -1.872 1.00 0.58 C ATOM 1125 OE1 GLN A 73 5.876 -13.121 -0.951 1.00 1.29 O flip ATOM 1126 NE2 GLN A 73 5.928 -15.199 -1.618 1.00 0.56 N flip ATOM 0 H GLN A 73 6.604 -9.691 -5.020 1.00 0.34 H new ATOM 0 HA GLN A 73 7.382 -11.859 -4.994 1.00 0.36 H new ATOM 0 HB2 GLN A 73 5.789 -11.581 -2.919 1.00 0.35 H new ATOM 0 HB3 GLN A 73 4.684 -12.608 -3.811 1.00 0.35 H new ATOM 0 HG2 GLN A 73 6.389 -14.388 -3.982 1.00 0.38 H new ATOM 0 HG3 GLN A 73 7.603 -13.349 -3.261 1.00 0.38 H new ATOM 0 HE21 GLN A 73 6.094 -15.903 -2.337 1.00 0.56 H new ATOM 0 HE22 GLN A 73 5.628 -15.483 -0.685 1.00 0.56 H new ATOM 1135 N GLY A 74 5.772 -12.098 -7.361 1.00 0.38 N ATOM 1136 CA GLY A 74 5.259 -12.863 -8.533 1.00 0.40 C ATOM 1137 C GLY A 74 3.801 -13.252 -8.288 1.00 0.35 C ATOM 1138 O GLY A 74 3.456 -14.417 -8.250 1.00 0.43 O ATOM 0 H GLY A 74 6.118 -11.162 -7.571 1.00 0.38 H new ATOM 0 HA2 GLY A 74 5.339 -12.260 -9.438 1.00 0.40 H new ATOM 0 HA3 GLY A 74 5.863 -13.756 -8.691 1.00 0.40 H new ATOM 1142 N GLN A 75 2.940 -12.286 -8.119 1.00 0.29 N ATOM 1143 CA GLN A 75 1.504 -12.603 -7.875 1.00 0.27 C ATOM 1144 C GLN A 75 0.671 -11.325 -7.988 1.00 0.24 C ATOM 1145 O GLN A 75 0.961 -10.325 -7.362 1.00 0.27 O ATOM 1146 CB GLN A 75 1.345 -13.193 -6.473 1.00 0.26 C ATOM 1147 CG GLN A 75 -0.131 -13.506 -6.215 1.00 0.32 C ATOM 1148 CD GLN A 75 -0.487 -14.849 -6.853 1.00 0.79 C ATOM 1149 OE1 GLN A 75 -0.513 -14.974 -8.062 1.00 1.61 O ATOM 1150 NE2 GLN A 75 -0.766 -15.868 -6.087 1.00 1.28 N ATOM 0 H GLN A 75 3.168 -11.292 -8.139 1.00 0.29 H new ATOM 0 HA GLN A 75 1.161 -13.325 -8.616 1.00 0.27 H new ATOM 0 HB2 GLN A 75 1.942 -14.100 -6.379 1.00 0.26 H new ATOM 0 HB3 GLN A 75 1.714 -12.490 -5.727 1.00 0.26 H new ATOM 0 HG2 GLN A 75 -0.325 -13.538 -5.143 1.00 0.32 H new ATOM 0 HG3 GLN A 75 -0.759 -12.717 -6.629 1.00 0.32 H new ATOM 0 HE21 GLN A 75 -0.745 -15.764 -5.073 1.00 1.28 H new ATOM 0 HE22 GLN A 75 -1.006 -16.768 -6.503 1.00 1.28 H new ATOM 1159 N SER A 76 -0.363 -11.350 -8.783 1.00 0.24 N ATOM 1160 CA SER A 76 -1.215 -10.139 -8.937 1.00 0.24 C ATOM 1161 C SER A 76 -1.628 -9.619 -7.559 1.00 0.21 C ATOM 1162 O SER A 76 -1.572 -10.327 -6.574 1.00 0.25 O ATOM 1163 CB SER A 76 -2.453 -10.488 -9.734 1.00 0.27 C ATOM 1164 OG SER A 76 -3.007 -9.302 -10.289 1.00 0.32 O ATOM 0 H SER A 76 -0.654 -12.158 -9.333 1.00 0.24 H new ATOM 0 HA SER A 76 -0.650 -9.368 -9.460 1.00 0.24 H new ATOM 0 HB2 SER A 76 -2.202 -11.191 -10.528 1.00 0.27 H new ATOM 0 HB3 SER A 76 -3.185 -10.979 -9.093 1.00 0.27 H new ATOM 0 HG SER A 76 -3.808 -9.526 -10.807 1.00 0.32 H new ATOM 1170 N LEU A 77 -2.042 -8.384 -7.483 1.00 0.18 N ATOM 1171 CA LEU A 77 -2.458 -7.814 -6.171 1.00 0.17 C ATOM 1172 C LEU A 77 -3.829 -7.149 -6.315 1.00 0.18 C ATOM 1173 O LEU A 77 -4.478 -7.260 -7.336 1.00 0.22 O ATOM 1174 CB LEU A 77 -1.433 -6.773 -5.724 1.00 0.19 C ATOM 1175 CG LEU A 77 -0.026 -7.311 -5.971 1.00 0.21 C ATOM 1176 CD1 LEU A 77 0.992 -6.194 -5.745 1.00 0.22 C ATOM 1177 CD2 LEU A 77 0.253 -8.461 -5.003 1.00 0.25 C ATOM 0 H LEU A 77 -2.110 -7.744 -8.274 1.00 0.18 H new ATOM 0 HA LEU A 77 -2.517 -8.611 -5.430 1.00 0.17 H new ATOM 0 HB2 LEU A 77 -1.580 -5.842 -6.272 1.00 0.19 H new ATOM 0 HB3 LEU A 77 -1.567 -6.545 -4.667 1.00 0.19 H new ATOM 0 HG LEU A 77 0.053 -7.671 -6.997 1.00 0.21 H new ATOM 0 HD11 LEU A 77 1.997 -6.577 -5.921 1.00 0.22 H new ATOM 0 HD12 LEU A 77 0.791 -5.373 -6.433 1.00 0.22 H new ATOM 0 HD13 LEU A 77 0.915 -5.834 -4.719 1.00 0.22 H new ATOM 0 HD21 LEU A 77 1.257 -8.847 -5.177 1.00 0.25 H new ATOM 0 HD22 LEU A 77 0.176 -8.100 -3.977 1.00 0.25 H new ATOM 0 HD23 LEU A 77 -0.475 -9.256 -5.164 1.00 0.25 H new ATOM 1189 N LYS A 78 -4.275 -6.455 -5.303 1.00 0.17 N ATOM 1190 CA LYS A 78 -5.602 -5.783 -5.389 1.00 0.18 C ATOM 1191 C LYS A 78 -5.682 -4.671 -4.341 1.00 0.18 C ATOM 1192 O LYS A 78 -6.004 -4.909 -3.195 1.00 0.19 O ATOM 1193 CB LYS A 78 -6.709 -6.806 -5.129 1.00 0.22 C ATOM 1194 CG LYS A 78 -8.016 -6.074 -4.815 1.00 0.26 C ATOM 1195 CD LYS A 78 -9.169 -6.747 -5.560 1.00 0.62 C ATOM 1196 CE LYS A 78 -9.703 -5.801 -6.637 1.00 1.40 C ATOM 1197 NZ LYS A 78 -10.777 -6.486 -7.411 1.00 1.88 N ATOM 0 H LYS A 78 -3.778 -6.325 -4.422 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.727 -5.355 -6.383 1.00 0.18 H new ATOM 0 HB2 LYS A 78 -6.839 -7.447 -6.001 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -6.433 -7.453 -4.296 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -8.205 -6.089 -3.742 1.00 0.26 H new ATOM 0 HG3 LYS A 78 -7.939 -5.028 -5.111 1.00 0.26 H new ATOM 0 HD2 LYS A 78 -8.828 -7.677 -6.015 1.00 0.62 H new ATOM 0 HD3 LYS A 78 -9.965 -7.006 -4.862 1.00 0.62 H new ATOM 0 HE2 LYS A 78 -10.094 -4.893 -6.178 1.00 1.40 H new ATOM 0 HE3 LYS A 78 -8.895 -5.499 -7.304 1.00 1.40 H new ATOM 0 HZ1 LYS A 78 -11.141 -5.844 -8.144 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 -10.390 -7.340 -7.861 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 -11.551 -6.753 -6.770 1.00 1.88 H new ATOM 1211 N ILE A 79 -5.396 -3.457 -4.723 1.00 0.20 N ATOM 1212 CA ILE A 79 -5.459 -2.338 -3.743 1.00 0.22 C ATOM 1213 C ILE A 79 -6.914 -1.902 -3.556 1.00 0.25 C ATOM 1214 O ILE A 79 -7.722 -2.003 -4.458 1.00 0.32 O ATOM 1215 CB ILE A 79 -4.634 -1.163 -4.260 1.00 0.27 C ATOM 1216 CG1 ILE A 79 -3.152 -1.537 -4.224 1.00 0.30 C ATOM 1217 CG2 ILE A 79 -4.872 0.054 -3.365 1.00 0.28 C ATOM 1218 CD1 ILE A 79 -2.324 -0.295 -3.907 1.00 0.81 C ATOM 0 H ILE A 79 -5.122 -3.192 -5.669 1.00 0.20 H new ATOM 0 HA ILE A 79 -5.057 -2.670 -2.786 1.00 0.22 H new ATOM 0 HB ILE A 79 -4.929 -0.927 -5.283 1.00 0.27 H new ATOM 0 HG12 ILE A 79 -2.978 -2.306 -3.471 1.00 0.30 H new ATOM 0 HG13 ILE A 79 -2.848 -1.955 -5.183 1.00 0.30 H new ATOM 0 HG21 ILE A 79 -4.284 0.896 -3.731 1.00 0.28 H new ATOM 0 HG22 ILE A 79 -5.930 0.316 -3.381 1.00 0.28 H new ATOM 0 HG23 ILE A 79 -4.572 -0.181 -2.344 1.00 0.28 H new ATOM 0 HD11 ILE A 79 -1.267 -0.559 -3.881 1.00 0.81 H new ATOM 0 HD12 ILE A 79 -2.490 0.459 -4.676 1.00 0.81 H new ATOM 0 HD13 ILE A 79 -2.622 0.104 -2.937 1.00 0.81 H new ATOM 1230 N ARG A 80 -7.258 -1.421 -2.391 1.00 0.31 N ATOM 1231 CA ARG A 80 -8.664 -0.984 -2.152 1.00 0.36 C ATOM 1232 C ARG A 80 -8.671 0.421 -1.545 1.00 0.44 C ATOM 1233 O ARG A 80 -7.638 1.035 -1.361 1.00 0.69 O ATOM 1234 CB ARG A 80 -9.345 -1.955 -1.185 1.00 0.36 C ATOM 1235 CG ARG A 80 -9.634 -3.275 -1.901 1.00 0.51 C ATOM 1236 CD ARG A 80 -11.124 -3.601 -1.787 1.00 1.13 C ATOM 1237 NE ARG A 80 -11.646 -4.014 -3.120 1.00 1.46 N ATOM 1238 CZ ARG A 80 -12.910 -4.303 -3.266 1.00 1.78 C ATOM 1239 NH1 ARG A 80 -13.779 -3.901 -2.379 1.00 2.43 N ATOM 1240 NH2 ARG A 80 -13.306 -4.996 -4.299 1.00 2.24 N ATOM 0 H ARG A 80 -6.628 -1.312 -1.596 1.00 0.31 H new ATOM 0 HA ARG A 80 -9.202 -0.974 -3.100 1.00 0.36 H new ATOM 0 HB2 ARG A 80 -8.705 -2.131 -0.320 1.00 0.36 H new ATOM 0 HB3 ARG A 80 -10.273 -1.521 -0.812 1.00 0.36 H new ATOM 0 HG2 ARG A 80 -9.346 -3.203 -2.950 1.00 0.51 H new ATOM 0 HG3 ARG A 80 -9.041 -4.077 -1.462 1.00 0.51 H new ATOM 0 HD2 ARG A 80 -11.278 -4.399 -1.061 1.00 1.13 H new ATOM 0 HD3 ARG A 80 -11.671 -2.731 -1.424 1.00 1.13 H new ATOM 0 HE ARG A 80 -11.015 -4.071 -3.919 1.00 1.46 H new ATOM 0 HH11 ARG A 80 -13.470 -3.360 -1.571 1.00 2.43 H new ATOM 0 HH12 ARG A 80 -14.767 -4.127 -2.494 1.00 2.43 H new ATOM 0 HH21 ARG A 80 -12.627 -5.312 -4.992 1.00 2.24 H new ATOM 0 HH22 ARG A 80 -14.294 -5.222 -4.413 1.00 2.24 H new ATOM 1254 N ARG A 81 -9.830 0.932 -1.230 1.00 0.60 N ATOM 1255 CA ARG A 81 -9.910 2.294 -0.632 1.00 0.78 C ATOM 1256 C ARG A 81 -10.508 2.196 0.775 1.00 0.92 C ATOM 1257 O ARG A 81 -11.712 2.178 0.935 1.00 1.27 O ATOM 1258 CB ARG A 81 -10.805 3.178 -1.503 1.00 0.99 C ATOM 1259 CG ARG A 81 -10.060 3.557 -2.785 1.00 1.80 C ATOM 1260 CD ARG A 81 -10.480 4.960 -3.225 1.00 2.17 C ATOM 1261 NE ARG A 81 -11.393 4.860 -4.398 1.00 2.94 N ATOM 1262 CZ ARG A 81 -12.325 5.756 -4.578 1.00 3.52 C ATOM 1263 NH1 ARG A 81 -12.004 7.014 -4.709 1.00 4.02 N ATOM 1264 NH2 ARG A 81 -13.577 5.393 -4.627 1.00 4.07 N ATOM 0 H ARG A 81 -10.726 0.464 -1.362 1.00 0.60 H new ATOM 0 HA ARG A 81 -8.912 2.728 -0.575 1.00 0.78 H new ATOM 0 HB2 ARG A 81 -11.727 2.650 -1.748 1.00 0.99 H new ATOM 0 HB3 ARG A 81 -11.089 4.077 -0.956 1.00 0.99 H new ATOM 0 HG2 ARG A 81 -8.984 3.525 -2.616 1.00 1.80 H new ATOM 0 HG3 ARG A 81 -10.280 2.836 -3.573 1.00 1.80 H new ATOM 0 HD2 ARG A 81 -10.979 5.476 -2.405 1.00 2.17 H new ATOM 0 HD3 ARG A 81 -9.601 5.550 -3.484 1.00 2.17 H new ATOM 0 HE ARG A 81 -11.290 4.091 -5.060 1.00 2.94 H new ATOM 0 HH11 ARG A 81 -11.025 7.297 -4.671 1.00 4.02 H new ATOM 0 HH12 ARG A 81 -12.732 7.714 -4.850 1.00 4.02 H new ATOM 0 HH21 ARG A 81 -13.827 4.409 -4.525 1.00 4.07 H new ATOM 0 HH22 ARG A 81 -14.306 6.093 -4.768 1.00 4.07 H new ATOM 1278 N PRO A 82 -9.643 2.134 1.753 1.00 0.86 N ATOM 1279 CA PRO A 82 -10.048 2.034 3.167 1.00 1.04 C ATOM 1280 C PRO A 82 -10.509 3.397 3.691 1.00 1.15 C ATOM 1281 O PRO A 82 -10.077 3.851 4.732 1.00 1.59 O ATOM 1282 CB PRO A 82 -8.768 1.579 3.874 1.00 1.17 C ATOM 1283 CG PRO A 82 -7.594 1.987 2.953 1.00 1.23 C ATOM 1284 CD PRO A 82 -8.183 2.158 1.540 1.00 0.96 C ATOM 0 HA PRO A 82 -10.883 1.352 3.327 1.00 1.04 H new ATOM 0 HB2 PRO A 82 -8.676 2.050 4.853 1.00 1.17 H new ATOM 0 HB3 PRO A 82 -8.777 0.502 4.038 1.00 1.17 H new ATOM 0 HG2 PRO A 82 -7.136 2.914 3.297 1.00 1.23 H new ATOM 0 HG3 PRO A 82 -6.814 1.225 2.958 1.00 1.23 H new ATOM 0 HD2 PRO A 82 -7.862 3.095 1.085 1.00 0.96 H new ATOM 0 HD3 PRO A 82 -7.864 1.355 0.875 1.00 0.96 H new ATOM 1292 N HIS A 83 -11.385 4.052 2.979 1.00 1.66 N ATOM 1293 CA HIS A 83 -11.874 5.384 3.438 1.00 1.99 C ATOM 1294 C HIS A 83 -13.404 5.410 3.406 1.00 2.30 C ATOM 1295 O HIS A 83 -14.036 6.058 4.216 1.00 2.92 O ATOM 1296 CB HIS A 83 -11.326 6.476 2.517 1.00 2.79 C ATOM 1297 CG HIS A 83 -11.455 7.813 3.195 1.00 3.43 C ATOM 1298 ND1 HIS A 83 -12.540 8.621 3.429 1.00 4.23 N flip ATOM 1299 CD2 HIS A 83 -10.365 8.476 3.736 1.00 4.02 C flip ATOM 1300 CE1 HIS A 83 -12.132 9.768 4.104 1.00 5.06 C flip ATOM 1301 NE2 HIS A 83 -10.813 9.630 4.264 1.00 5.01 N flip ATOM 0 H HIS A 83 -11.783 3.723 2.100 1.00 1.66 H new ATOM 0 HA HIS A 83 -11.531 5.562 4.457 1.00 1.99 H new ATOM 0 HB2 HIS A 83 -10.281 6.276 2.279 1.00 2.79 H new ATOM 0 HB3 HIS A 83 -11.873 6.480 1.574 1.00 2.79 H new ATOM 0 HD2 HIS A 83 -9.342 8.130 3.734 1.00 4.02 H new ATOM 0 HE1 HIS A 83 -12.749 10.593 4.429 1.00 5.06 H new ATOM 0 HE2 HIS A 83 -10.218 10.315 4.729 1.00 5.01 H new ATOM 1309 N ASP A 84 -14.001 4.713 2.474 1.00 2.60 N ATOM 1310 CA ASP A 84 -15.491 4.695 2.381 1.00 3.38 C ATOM 1311 C ASP A 84 -16.041 6.099 2.639 1.00 3.48 C ATOM 1312 O ASP A 84 -16.858 6.306 3.514 1.00 3.87 O ATOM 1313 CB ASP A 84 -16.061 3.722 3.418 1.00 4.26 C ATOM 1314 CG ASP A 84 -15.375 3.943 4.767 1.00 4.98 C ATOM 1315 OD1 ASP A 84 -15.708 4.913 5.427 1.00 5.32 O ATOM 1316 OD2 ASP A 84 -14.527 3.138 5.117 1.00 5.55 O ATOM 0 H ASP A 84 -13.518 4.153 1.771 1.00 2.60 H new ATOM 0 HA ASP A 84 -15.784 4.371 1.382 1.00 3.38 H new ATOM 0 HB2 ASP A 84 -17.136 3.871 3.518 1.00 4.26 H new ATOM 0 HB3 ASP A 84 -15.911 2.694 3.087 1.00 4.26 H new ATOM 1321 N TYR A 85 -15.597 7.066 1.883 1.00 3.70 N ATOM 1322 CA TYR A 85 -16.092 8.457 2.084 1.00 4.28 C ATOM 1323 C TYR A 85 -17.475 8.606 1.447 1.00 4.05 C ATOM 1324 O TYR A 85 -17.860 7.837 0.589 1.00 4.46 O ATOM 1325 CB TYR A 85 -15.121 9.442 1.429 1.00 5.06 C ATOM 1326 CG TYR A 85 -15.519 9.659 -0.011 1.00 5.68 C ATOM 1327 CD1 TYR A 85 -15.730 8.560 -0.853 1.00 6.37 C ATOM 1328 CD2 TYR A 85 -15.676 10.959 -0.505 1.00 5.97 C ATOM 1329 CE1 TYR A 85 -16.098 8.762 -2.189 1.00 7.21 C ATOM 1330 CE2 TYR A 85 -16.045 11.161 -1.840 1.00 6.86 C ATOM 1331 CZ TYR A 85 -16.256 10.063 -2.682 1.00 7.41 C ATOM 1332 OH TYR A 85 -16.620 10.262 -3.998 1.00 8.43 O ATOM 0 H TYR A 85 -14.913 6.953 1.135 1.00 3.70 H new ATOM 0 HA TYR A 85 -16.160 8.667 3.151 1.00 4.28 H new ATOM 0 HB2 TYR A 85 -15.130 10.390 1.967 1.00 5.06 H new ATOM 0 HB3 TYR A 85 -14.103 9.055 1.482 1.00 5.06 H new ATOM 0 HD1 TYR A 85 -15.609 7.557 -0.472 1.00 6.37 H new ATOM 0 HD2 TYR A 85 -15.512 11.807 0.144 1.00 5.97 H new ATOM 0 HE1 TYR A 85 -16.260 7.915 -2.839 1.00 7.21 H new ATOM 0 HE2 TYR A 85 -16.167 12.164 -2.220 1.00 6.86 H new ATOM 0 HH TYR A 85 -17.423 10.822 -4.034 1.00 8.43 H new ATOM 1342 N GLN A 86 -18.224 9.591 1.860 1.00 3.85 N ATOM 1343 CA GLN A 86 -19.581 9.789 1.278 1.00 3.98 C ATOM 1344 C GLN A 86 -20.308 8.444 1.207 1.00 3.87 C ATOM 1345 O GLN A 86 -20.194 7.728 0.232 1.00 4.09 O ATOM 1346 CB GLN A 86 -19.449 10.373 -0.130 1.00 4.62 C ATOM 1347 CG GLN A 86 -19.087 11.857 -0.036 1.00 5.20 C ATOM 1348 CD GLN A 86 -18.939 12.439 -1.443 1.00 5.98 C ATOM 1349 OE1 GLN A 86 -18.617 11.730 -2.375 1.00 6.28 O ATOM 1350 NE2 GLN A 86 -19.162 13.710 -1.636 1.00 6.65 N ATOM 0 H GLN A 86 -17.955 10.267 2.575 1.00 3.85 H new ATOM 0 HA GLN A 86 -20.150 10.475 1.905 1.00 3.98 H new ATOM 0 HB2 GLN A 86 -18.682 9.835 -0.688 1.00 4.62 H new ATOM 0 HB3 GLN A 86 -20.385 10.250 -0.675 1.00 4.62 H new ATOM 0 HG2 GLN A 86 -19.860 12.396 0.512 1.00 5.20 H new ATOM 0 HG3 GLN A 86 -18.157 11.980 0.519 1.00 5.20 H new ATOM 0 HE21 GLN A 86 -19.432 14.305 -0.853 1.00 6.65 H new ATOM 0 HE22 GLN A 86 -19.066 14.109 -2.570 1.00 6.65 H new ATOM 1359 N PRO A 87 -21.036 8.145 2.250 1.00 4.02 N ATOM 1360 CA PRO A 87 -21.804 6.893 2.355 1.00 4.36 C ATOM 1361 C PRO A 87 -23.088 6.982 1.525 1.00 4.54 C ATOM 1362 O PRO A 87 -24.101 7.471 1.983 1.00 4.82 O ATOM 1363 CB PRO A 87 -22.123 6.793 3.849 1.00 5.00 C ATOM 1364 CG PRO A 87 -22.025 8.231 4.413 1.00 5.09 C ATOM 1365 CD PRO A 87 -21.159 9.033 3.423 1.00 4.42 C ATOM 0 HA PRO A 87 -21.263 6.024 1.981 1.00 4.36 H new ATOM 0 HB2 PRO A 87 -23.120 6.381 4.007 1.00 5.00 H new ATOM 0 HB3 PRO A 87 -21.420 6.129 4.353 1.00 5.00 H new ATOM 0 HG2 PRO A 87 -23.015 8.677 4.512 1.00 5.09 H new ATOM 0 HG3 PRO A 87 -21.576 8.228 5.406 1.00 5.09 H new ATOM 0 HD2 PRO A 87 -21.630 9.980 3.158 1.00 4.42 H new ATOM 0 HD3 PRO A 87 -20.183 9.270 3.848 1.00 4.42 H new ATOM 1373 N LEU A 88 -23.050 6.514 0.306 1.00 4.81 N ATOM 1374 CA LEU A 88 -24.264 6.570 -0.559 1.00 5.34 C ATOM 1375 C LEU A 88 -25.500 6.181 0.261 1.00 5.74 C ATOM 1376 O LEU A 88 -25.728 5.015 0.516 1.00 6.03 O ATOM 1377 CB LEU A 88 -24.101 5.588 -1.721 1.00 6.00 C ATOM 1378 CG LEU A 88 -25.218 5.815 -2.741 1.00 6.63 C ATOM 1379 CD1 LEU A 88 -24.616 6.306 -4.058 1.00 7.02 C ATOM 1380 CD2 LEU A 88 -25.963 4.499 -2.981 1.00 7.39 C ATOM 0 H LEU A 88 -22.228 6.094 -0.129 1.00 4.81 H new ATOM 0 HA LEU A 88 -24.388 7.582 -0.944 1.00 5.34 H new ATOM 0 HB2 LEU A 88 -23.129 5.726 -2.194 1.00 6.00 H new ATOM 0 HB3 LEU A 88 -24.134 4.563 -1.352 1.00 6.00 H new ATOM 0 HG LEU A 88 -25.912 6.563 -2.358 1.00 6.63 H new ATOM 0 HD11 LEU A 88 -25.413 6.467 -4.784 1.00 7.02 H new ATOM 0 HD12 LEU A 88 -24.084 7.242 -3.888 1.00 7.02 H new ATOM 0 HD13 LEU A 88 -23.921 5.559 -4.442 1.00 7.02 H new ATOM 0 HD21 LEU A 88 -26.759 4.659 -3.708 1.00 7.39 H new ATOM 0 HD22 LEU A 88 -25.268 3.752 -3.363 1.00 7.39 H new ATOM 0 HD23 LEU A 88 -26.393 4.148 -2.043 1.00 7.39 H new ATOM 1392 N PRO A 89 -26.264 7.172 0.649 1.00 6.11 N ATOM 1393 CA PRO A 89 -27.489 6.964 1.442 1.00 6.84 C ATOM 1394 C PRO A 89 -28.634 6.493 0.541 1.00 7.28 C ATOM 1395 O PRO A 89 -28.520 6.482 -0.668 1.00 7.61 O ATOM 1396 CB PRO A 89 -27.783 8.352 2.018 1.00 7.35 C ATOM 1397 CG PRO A 89 -27.073 9.368 1.091 1.00 7.06 C ATOM 1398 CD PRO A 89 -25.981 8.587 0.336 1.00 6.23 C ATOM 0 HA PRO A 89 -27.377 6.203 2.214 1.00 6.84 H new ATOM 0 HB2 PRO A 89 -28.856 8.540 2.051 1.00 7.35 H new ATOM 0 HB3 PRO A 89 -27.414 8.435 3.040 1.00 7.35 H new ATOM 0 HG2 PRO A 89 -27.781 9.817 0.394 1.00 7.06 H new ATOM 0 HG3 PRO A 89 -26.637 10.182 1.670 1.00 7.06 H new ATOM 0 HD2 PRO A 89 -26.027 8.774 -0.737 1.00 6.23 H new ATOM 0 HD3 PRO A 89 -24.984 8.876 0.667 1.00 6.23 H new ATOM 1406 N GLY A 90 -29.737 6.103 1.121 1.00 7.61 N ATOM 1407 CA GLY A 90 -30.887 5.634 0.296 1.00 8.37 C ATOM 1408 C GLY A 90 -31.523 4.408 0.954 1.00 8.94 C ATOM 1409 O GLY A 90 -32.006 3.555 0.229 1.00 9.30 O ATOM 1410 OXT GLY A 90 -31.516 4.344 2.173 1.00 9.21 O ATOM 0 H GLY A 90 -29.891 6.089 2.129 1.00 7.61 H new ATOM 0 HA2 GLY A 90 -31.625 6.430 0.196 1.00 8.37 H new ATOM 0 HA3 GLY A 90 -30.549 5.385 -0.710 1.00 8.37 H new TER 1414 GLY A 90 END