USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1144 hydrogens (0 hets) HEADER CYTOKINE (CHEMOTACTIC) 25-JAN-95 1MSG TITLE SOLUTION STRUCTURE OF GRO(SLASH)MELANOMA GROWTH STIMULATORY TITLE 2 ACTIVITY DETERMINED BY 1H NMR SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN MELANOMA GROWTH STIMULATORY ACTIVITY; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS CYTOKINE (CHEMOTACTIC) EXPDTA SOLUTION NMR AUTHOR K.-S.KIM,I.CLARK-LEWIS,B.D.SYKES REVDAT 3 24-FEB-09 1MSG 1 VERSN REVDAT 2 01-APR-03 1MSG 1 JRNL REVDAT 1 31-MAR-95 1MSG 0 JRNL AUTH K.S.KIM,I.CLARK-LEWIS,B.D.SYKES JRNL TITL SOLUTION STRUCTURE OF GRO/MELANOMA GROWTH JRNL TITL 2 STIMULATORY ACTIVITY DETERMINED BY 1H NMR JRNL TITL 3 SPECTROSCOPY. JRNL REF J.BIOL.CHEM. V. 269 32909 1994 JRNL REFN ISSN 0021-9258 JRNL PMID 7806518 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MSG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 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 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 THR A 5 56.17 -95.96 REMARK 500 GLU A 6 92.95 -165.11 REMARK 500 CYS A 11 134.65 -33.54 REMARK 500 GLN A 13 42.61 -170.27 REMARK 500 THR A 14 96.43 30.08 REMARK 500 PRO A 20 -122.13 -75.75 REMARK 500 LYS A 21 -50.34 74.21 REMARK 500 ILE A 23 107.38 -45.68 REMARK 500 PRO A 33 -158.84 -73.07 REMARK 500 ALA A 36 44.03 33.05 REMARK 500 THR A 38 -163.55 -64.93 REMARK 500 VAL A 40 71.36 -154.59 REMARK 500 ARG A 48 -168.35 -109.17 REMARK 500 ASN A 68 -97.10 -71.50 REMARK 500 SER A 69 71.74 56.86 REMARK 500 THR B 5 56.48 -96.66 REMARK 500 GLU B 6 92.16 -165.71 REMARK 500 CYS B 11 130.63 -25.65 REMARK 500 GLN B 13 42.40 -171.63 REMARK 500 THR B 14 96.69 29.78 REMARK 500 PRO B 20 -122.04 -75.97 REMARK 500 LYS B 21 -50.42 74.15 REMARK 500 ILE B 23 107.46 -45.77 REMARK 500 PRO B 33 -159.64 -72.92 REMARK 500 ALA B 36 40.95 36.95 REMARK 500 THR B 38 -163.40 -65.35 REMARK 500 VAL B 40 71.84 -154.51 REMARK 500 ARG B 48 -168.35 -109.07 REMARK 500 ASN B 68 -97.29 -71.45 REMARK 500 SER B 69 72.95 57.21 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 8 0.32 SIDE_CHAIN REMARK 500 ARG A 48 0.32 SIDE_CHAIN REMARK 500 ARG B 8 0.32 SIDE_CHAIN REMARK 500 ARG B 48 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MSH RELATED DB: PDB DBREF 1MSG A 1 72 UNP P09341 GROA_HUMAN 35 106 DBREF 1MSG B 1 72 UNP P09341 GROA_HUMAN 35 106 SEQRES 1 A 72 ALA SER VAL ALA THR GLU LEU ARG CYS GLN CYS LEU GLN SEQRES 2 A 72 THR LEU GLN GLY ILE HIS PRO LYS ASN ILE GLN SER VAL SEQRES 3 A 72 ASN VAL LYS SER PRO GLY PRO HIS CYS ALA GLN THR GLU SEQRES 4 A 72 VAL ILE ALA THR LEU LYS ASN GLY ARG LYS ALA CYS LEU SEQRES 5 A 72 ASN PRO ALA SER PRO ILE VAL LYS LYS ILE ILE GLU LYS SEQRES 6 A 72 MET LEU ASN SER ASP LYS SER SEQRES 1 B 72 ALA SER VAL ALA THR GLU LEU ARG CYS GLN CYS LEU GLN SEQRES 2 B 72 THR LEU GLN GLY ILE HIS PRO LYS ASN ILE GLN SER VAL SEQRES 3 B 72 ASN VAL LYS SER PRO GLY PRO HIS CYS ALA GLN THR GLU SEQRES 4 B 72 VAL ILE ALA THR LEU LYS ASN GLY ARG LYS ALA CYS LEU SEQRES 5 B 72 ASN PRO ALA SER PRO ILE VAL LYS LYS ILE ILE GLU LYS SEQRES 6 B 72 MET LEU ASN SER ASP LYS SER HELIX 1 1 PRO A 57 LEU A 67 1 11 HELIX 2 2 PRO B 57 LEU B 67 1 11 SHEET 1 A 6 LYS B 49 CYS B 51 0 SHEET 2 A 6 GLU B 39 THR B 43 -1 N ALA B 42 O ALA B 50 SHEET 3 A 6 SER B 25 LYS B 29 -1 N LYS B 29 O GLU B 39 SHEET 4 A 6 SER A 25 LYS A 29 -1 N VAL A 28 O VAL B 26 SHEET 5 A 6 GLU A 39 THR A 43 -1 N THR A 43 O SER A 25 SHEET 6 A 6 LYS A 49 CYS A 51 -1 N ALA A 50 O ALA A 42 SSBOND *** CYS A 9 CYS A 35 1555 1555 2.02 SSBOND *** CYS A 11 CYS A 51 1555 1555 2.02 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: B 14 THR OG1 : rot 118:sc= 0.844 USER MOD Set 1.2: B 53 ASN : amide:sc= 0.49 K(o=1.3,f=-1.1) USER MOD Set 2.1: B 25 SER OG : rot 180:sc= -0.829 USER MOD Set 2.2: B 43 THR OG1 : rot 116:sc= 0.048 USER MOD Set 3.1: A 14 THR OG1 : rot 116:sc= 0.878 USER MOD Set 3.2: A 53 ASN : amide:sc= 0.513 K(o=1.4,f=-1.1) USER MOD Set 4.1: A 25 SER OG : rot 180:sc= -0.833 USER MOD Set 4.2: A 43 THR OG1 : rot 116:sc= 0.0494 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00127 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 10 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.038) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -6.27! C(o=-6.3!,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 24 GLN : amide:sc= -0.391 K(o=-0.39,f=-3.3!) USER MOD Single : A 27 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.4) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.00327 (180deg=-0.126) USER MOD Single : A 30 SER OG : rot 130:sc= -1.38 USER MOD Single : A 34 HIS : no HE2:sc= -4.13! K(o=-4.1!,f=-2.7) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.76 K(o=-2.8,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0.73 (180deg=0.467) USER MOD Single : A 56 SER OG : rot 110:sc= -0.607 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -157:sc= -14.5! (180deg=-15.6!) USER MOD Single : A 68 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.83) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : B 9 CYS SG : rot 180:sc= -2.72! USER MOD Single : B 10 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : B 11 CYS SG : rot -87:sc= -3.54! USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-4.7!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.1!) USER MOD Single : B 27 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.41) USER MOD Single : B 29 LYS NZ :NH3+ -165:sc=-0.00185 (180deg=-0.111) USER MOD Single : B 30 SER OG : rot 180:sc= -1.3 USER MOD Single : B 34 HIS : no HE2:sc= -3.7! K(o=-3.7!,f=-2.5) USER MOD Single : B 35 CYS SG : rot 180:sc= -3.41! USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -2.75 K(o=-2.7,f=-11!) USER MOD Single : B 49 LYS NZ :NH3+ 170:sc= 0.184 (180deg=-0.116) USER MOD Single : B 51 CYS SG : rot -142:sc= -4.18! USER MOD Single : B 56 SER OG : rot -110:sc= -0.707 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -149:sc= -14.3! (180deg=-15.4!) USER MOD Single : B 68 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.79) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.518 13.319 -2.829 1.00 12.52 N ATOM 2 CA ALA A 1 17.518 12.050 -2.044 1.00 11.93 C ATOM 3 C ALA A 1 18.145 12.299 -0.667 1.00 11.07 C ATOM 4 O ALA A 1 19.323 12.591 -0.554 1.00 11.11 O ATOM 5 CB ALA A 1 18.324 10.981 -2.791 1.00 12.13 C ATOM 0 H1 ALA A 1 17.093 13.150 -3.763 1.00 12.52 H new ATOM 0 H2 ALA A 1 16.966 14.040 -2.323 1.00 12.52 H new ATOM 0 H3 ALA A 1 18.496 13.653 -2.949 1.00 12.52 H new ATOM 0 HA ALA A 1 16.492 11.704 -1.917 1.00 11.93 H new ATOM 0 HB1 ALA A 1 18.322 10.055 -2.215 1.00 12.13 H new ATOM 0 HB2 ALA A 1 17.874 10.802 -3.767 1.00 12.13 H new ATOM 0 HB3 ALA A 1 19.350 11.325 -2.922 1.00 12.13 H new ATOM 13 N SER A 2 17.364 12.185 0.380 1.00 10.46 N ATOM 14 CA SER A 2 17.902 12.412 1.757 1.00 9.76 C ATOM 15 C SER A 2 18.398 11.085 2.345 1.00 8.76 C ATOM 16 O SER A 2 18.002 10.017 1.911 1.00 8.72 O ATOM 17 CB SER A 2 16.800 12.989 2.652 1.00 10.06 C ATOM 18 OG SER A 2 15.656 12.143 2.604 1.00 10.73 O ATOM 0 H SER A 2 16.374 11.944 0.339 1.00 10.46 H new ATOM 0 HA SER A 2 18.733 13.116 1.706 1.00 9.76 H new ATOM 0 HB2 SER A 2 17.158 13.076 3.678 1.00 10.06 H new ATOM 0 HB3 SER A 2 16.537 13.993 2.321 1.00 10.06 H new ATOM 0 HG SER A 2 14.952 12.512 3.178 1.00 10.73 H new ATOM 24 N VAL A 3 19.261 11.145 3.331 1.00 8.19 N ATOM 25 CA VAL A 3 19.786 9.891 3.953 1.00 7.39 C ATOM 26 C VAL A 3 18.768 9.372 4.978 1.00 6.52 C ATOM 27 O VAL A 3 18.796 9.738 6.140 1.00 6.63 O ATOM 28 CB VAL A 3 21.130 10.175 4.644 1.00 7.63 C ATOM 29 CG1 VAL A 3 21.733 8.863 5.156 1.00 7.51 C ATOM 30 CG2 VAL A 3 22.097 10.819 3.644 1.00 8.25 C ATOM 0 H VAL A 3 19.624 12.010 3.731 1.00 8.19 H new ATOM 0 HA VAL A 3 19.940 9.137 3.181 1.00 7.39 H new ATOM 0 HB VAL A 3 20.966 10.853 5.482 1.00 7.63 H new ATOM 0 HG11 VAL A 3 22.685 9.067 5.645 1.00 7.51 H new ATOM 0 HG12 VAL A 3 21.050 8.403 5.870 1.00 7.51 H new ATOM 0 HG13 VAL A 3 21.894 8.185 4.318 1.00 7.51 H new ATOM 0 HG21 VAL A 3 23.049 11.019 4.136 1.00 8.25 H new ATOM 0 HG22 VAL A 3 22.257 10.142 2.805 1.00 8.25 H new ATOM 0 HG23 VAL A 3 21.673 11.755 3.279 1.00 8.25 H new ATOM 40 N ALA A 4 17.865 8.523 4.549 1.00 5.97 N ATOM 41 CA ALA A 4 16.835 7.973 5.484 1.00 5.38 C ATOM 42 C ALA A 4 17.174 6.516 5.828 1.00 4.55 C ATOM 43 O ALA A 4 18.068 5.923 5.250 1.00 4.55 O ATOM 44 CB ALA A 4 15.457 8.037 4.817 1.00 5.76 C ATOM 0 H ALA A 4 17.798 8.187 3.588 1.00 5.97 H new ATOM 0 HA ALA A 4 16.824 8.564 6.400 1.00 5.38 H new ATOM 0 HB1 ALA A 4 14.705 7.637 5.497 1.00 5.76 H new ATOM 0 HB2 ALA A 4 15.216 9.073 4.579 1.00 5.76 H new ATOM 0 HB3 ALA A 4 15.469 7.447 3.901 1.00 5.76 H new ATOM 50 N THR A 5 16.465 5.937 6.768 1.00 4.21 N ATOM 51 CA THR A 5 16.740 4.519 7.158 1.00 3.64 C ATOM 52 C THR A 5 15.786 3.578 6.407 1.00 3.34 C ATOM 53 O THR A 5 15.072 2.796 7.005 1.00 3.84 O ATOM 54 CB THR A 5 16.549 4.352 8.674 1.00 3.98 C ATOM 55 OG1 THR A 5 15.416 5.100 9.101 1.00 4.53 O ATOM 56 CG2 THR A 5 17.798 4.847 9.406 1.00 4.44 C ATOM 0 H THR A 5 15.707 6.387 7.282 1.00 4.21 H new ATOM 0 HA THR A 5 17.768 4.268 6.896 1.00 3.64 H new ATOM 0 HB THR A 5 16.390 3.298 8.903 1.00 3.98 H new ATOM 0 HG1 THR A 5 15.296 4.990 10.067 1.00 4.53 H new ATOM 0 HG21 THR A 5 17.661 4.728 10.481 1.00 4.44 H new ATOM 0 HG22 THR A 5 18.663 4.267 9.084 1.00 4.44 H new ATOM 0 HG23 THR A 5 17.962 5.900 9.176 1.00 4.44 H new ATOM 64 N GLU A 6 15.778 3.642 5.097 1.00 2.88 N ATOM 65 CA GLU A 6 14.883 2.747 4.301 1.00 2.76 C ATOM 66 C GLU A 6 15.325 2.753 2.831 1.00 2.42 C ATOM 67 O GLU A 6 14.911 3.590 2.050 1.00 2.75 O ATOM 68 CB GLU A 6 13.422 3.213 4.414 1.00 3.33 C ATOM 69 CG GLU A 6 13.323 4.733 4.222 1.00 3.90 C ATOM 70 CD GLU A 6 12.230 5.055 3.197 1.00 4.56 C ATOM 71 OE1 GLU A 6 11.069 5.044 3.574 1.00 4.90 O ATOM 72 OE2 GLU A 6 12.572 5.307 2.053 1.00 5.02 O ATOM 0 H GLU A 6 16.354 4.277 4.545 1.00 2.88 H new ATOM 0 HA GLU A 6 14.954 1.733 4.695 1.00 2.76 H new ATOM 0 HB2 GLU A 6 12.814 2.706 3.665 1.00 3.33 H new ATOM 0 HB3 GLU A 6 13.021 2.937 5.389 1.00 3.33 H new ATOM 0 HG2 GLU A 6 13.096 5.215 5.173 1.00 3.90 H new ATOM 0 HG3 GLU A 6 14.280 5.129 3.884 1.00 3.90 H new ATOM 79 N LEU A 7 16.165 1.819 2.452 1.00 2.06 N ATOM 80 CA LEU A 7 16.640 1.751 1.043 1.00 2.10 C ATOM 81 C LEU A 7 16.048 0.499 0.421 1.00 1.86 C ATOM 82 O LEU A 7 15.388 0.540 -0.600 1.00 2.00 O ATOM 83 CB LEU A 7 18.173 1.649 0.965 1.00 2.44 C ATOM 84 CG LEU A 7 18.871 2.250 2.194 1.00 2.60 C ATOM 85 CD1 LEU A 7 18.190 3.542 2.644 1.00 2.70 C ATOM 86 CD2 LEU A 7 18.819 1.234 3.320 1.00 2.47 C ATOM 0 H LEU A 7 16.542 1.098 3.067 1.00 2.06 H new ATOM 0 HA LEU A 7 16.332 2.657 0.522 1.00 2.10 H new ATOM 0 HB2 LEU A 7 18.459 0.602 0.866 1.00 2.44 H new ATOM 0 HB3 LEU A 7 18.522 2.161 0.068 1.00 2.44 H new ATOM 0 HG LEU A 7 19.902 2.488 1.933 1.00 2.60 H new ATOM 0 HD11 LEU A 7 18.708 3.942 3.516 1.00 2.70 H new ATOM 0 HD12 LEU A 7 18.224 4.272 1.835 1.00 2.70 H new ATOM 0 HD13 LEU A 7 17.152 3.335 2.903 1.00 2.70 H new ATOM 0 HD21 LEU A 7 19.311 1.643 4.203 1.00 2.47 H new ATOM 0 HD22 LEU A 7 17.780 1.006 3.556 1.00 2.47 H new ATOM 0 HD23 LEU A 7 19.329 0.322 3.011 1.00 2.47 H new ATOM 98 N ARG A 8 16.296 -0.611 1.062 1.00 1.80 N ATOM 99 CA ARG A 8 15.780 -1.929 0.596 1.00 1.87 C ATOM 100 C ARG A 8 14.291 -1.822 0.254 1.00 1.48 C ATOM 101 O ARG A 8 13.856 -2.229 -0.808 1.00 1.64 O ATOM 102 CB ARG A 8 15.953 -2.938 1.729 1.00 2.04 C ATOM 103 CG ARG A 8 17.102 -3.895 1.401 1.00 2.57 C ATOM 104 CD ARG A 8 16.553 -5.128 0.679 1.00 2.96 C ATOM 105 NE ARG A 8 17.573 -6.217 0.699 1.00 3.51 N ATOM 106 CZ ARG A 8 17.360 -7.325 0.040 1.00 3.97 C ATOM 107 NH1 ARG A 8 16.703 -8.305 0.605 1.00 4.45 N ATOM 108 NH2 ARG A 8 17.805 -7.452 -1.184 1.00 4.43 N ATOM 0 H ARG A 8 16.852 -0.659 1.916 1.00 1.80 H new ATOM 0 HA ARG A 8 16.328 -2.243 -0.293 1.00 1.87 H new ATOM 0 HB2 ARG A 8 16.158 -2.417 2.664 1.00 2.04 H new ATOM 0 HB3 ARG A 8 15.030 -3.499 1.872 1.00 2.04 H new ATOM 0 HG2 ARG A 8 17.839 -3.393 0.775 1.00 2.57 H new ATOM 0 HG3 ARG A 8 17.612 -4.194 2.317 1.00 2.57 H new ATOM 0 HD2 ARG A 8 15.636 -5.466 1.162 1.00 2.96 H new ATOM 0 HD3 ARG A 8 16.297 -4.875 -0.350 1.00 2.96 H new ATOM 0 HE ARG A 8 18.437 -6.096 1.227 1.00 3.51 H new ATOM 0 HH11 ARG A 8 16.357 -8.204 1.559 1.00 4.45 H new ATOM 0 HH12 ARG A 8 16.536 -9.170 0.091 1.00 4.45 H new ATOM 0 HH21 ARG A 8 18.317 -6.687 -1.622 1.00 4.43 H new ATOM 0 HH22 ARG A 8 17.640 -8.316 -1.700 1.00 4.43 H new ATOM 122 N CYS A 9 13.514 -1.282 1.164 1.00 1.12 N ATOM 123 CA CYS A 9 12.044 -1.134 0.939 1.00 0.80 C ATOM 124 C CYS A 9 11.780 -0.312 -0.338 1.00 0.61 C ATOM 125 O CYS A 9 12.647 0.383 -0.836 1.00 0.75 O ATOM 126 CB CYS A 9 11.410 -0.435 2.148 1.00 0.74 C ATOM 127 SG CYS A 9 11.906 -1.285 3.681 1.00 0.93 S ATOM 0 H CYS A 9 13.843 -0.934 2.064 1.00 1.12 H new ATOM 0 HA CYS A 9 11.601 -2.122 0.816 1.00 0.80 H new ATOM 0 HB2 CYS A 9 11.723 0.608 2.182 1.00 0.74 H new ATOM 0 HB3 CYS A 9 10.324 -0.439 2.054 1.00 0.74 H new ATOM 132 N GLN A 10 10.589 -0.408 -0.876 1.00 0.54 N ATOM 133 CA GLN A 10 10.250 0.335 -2.136 1.00 0.62 C ATOM 134 C GLN A 10 9.247 1.474 -1.869 1.00 0.57 C ATOM 135 O GLN A 10 8.990 2.278 -2.745 1.00 0.72 O ATOM 136 CB GLN A 10 9.611 -0.642 -3.121 1.00 0.86 C ATOM 137 CG GLN A 10 10.576 -0.930 -4.279 1.00 1.04 C ATOM 138 CD GLN A 10 9.790 -1.104 -5.586 1.00 1.93 C ATOM 139 OE1 GLN A 10 8.820 -1.836 -5.635 1.00 2.42 O ATOM 140 NE2 GLN A 10 10.173 -0.459 -6.657 1.00 2.68 N ATOM 0 H GLN A 10 9.830 -0.973 -0.495 1.00 0.54 H new ATOM 0 HA GLN A 10 11.168 0.765 -2.536 1.00 0.62 H new ATOM 0 HB2 GLN A 10 9.356 -1.571 -2.610 1.00 0.86 H new ATOM 0 HB3 GLN A 10 8.681 -0.225 -3.507 1.00 0.86 H new ATOM 0 HG2 GLN A 10 11.290 -0.113 -4.380 1.00 1.04 H new ATOM 0 HG3 GLN A 10 11.151 -1.831 -4.068 1.00 1.04 H new ATOM 0 HE21 GLN A 10 10.986 0.156 -6.619 1.00 2.68 H new ATOM 0 HE22 GLN A 10 9.659 -0.570 -7.531 1.00 2.68 H new ATOM 149 N CYS A 11 8.668 1.526 -0.687 1.00 0.46 N ATOM 150 CA CYS A 11 7.654 2.586 -0.342 1.00 0.40 C ATOM 151 C CYS A 11 7.961 3.922 -1.034 1.00 0.46 C ATOM 152 O CYS A 11 9.084 4.394 -1.029 1.00 0.57 O ATOM 153 CB CYS A 11 7.656 2.812 1.167 1.00 0.36 C ATOM 154 SG CYS A 11 7.067 1.325 2.007 1.00 0.32 S ATOM 0 H CYS A 11 8.858 0.867 0.068 1.00 0.46 H new ATOM 0 HA CYS A 11 6.681 2.236 -0.686 1.00 0.40 H new ATOM 0 HB2 CYS A 11 8.662 3.058 1.506 1.00 0.36 H new ATOM 0 HB3 CYS A 11 7.019 3.660 1.418 1.00 0.36 H new ATOM 159 N LEU A 12 6.952 4.544 -1.602 1.00 0.44 N ATOM 160 CA LEU A 12 7.153 5.866 -2.273 1.00 0.51 C ATOM 161 C LEU A 12 7.417 6.897 -1.172 1.00 0.52 C ATOM 162 O LEU A 12 8.504 7.426 -1.037 1.00 0.59 O ATOM 163 CB LEU A 12 5.885 6.274 -3.063 1.00 0.51 C ATOM 164 CG LEU A 12 5.228 5.062 -3.737 1.00 0.88 C ATOM 165 CD1 LEU A 12 3.934 5.510 -4.420 1.00 1.32 C ATOM 166 CD2 LEU A 12 6.169 4.471 -4.786 1.00 1.29 C ATOM 0 H LEU A 12 5.996 4.190 -1.628 1.00 0.44 H new ATOM 0 HA LEU A 12 7.986 5.809 -2.974 1.00 0.51 H new ATOM 0 HB2 LEU A 12 5.172 6.748 -2.389 1.00 0.51 H new ATOM 0 HB3 LEU A 12 6.148 7.014 -3.819 1.00 0.51 H new ATOM 0 HG LEU A 12 5.012 4.305 -2.983 1.00 0.88 H new ATOM 0 HD11 LEU A 12 3.461 4.654 -4.901 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.256 5.928 -3.676 1.00 1.32 H new ATOM 0 HD13 LEU A 12 4.162 6.268 -5.170 1.00 1.32 H new ATOM 0 HD21 LEU A 12 5.693 3.611 -5.258 1.00 1.29 H new ATOM 0 HD22 LEU A 12 6.390 5.224 -5.542 1.00 1.29 H new ATOM 0 HD23 LEU A 12 7.096 4.155 -4.307 1.00 1.29 H new ATOM 178 N GLN A 13 6.412 7.146 -0.377 1.00 0.46 N ATOM 179 CA GLN A 13 6.506 8.100 0.761 1.00 0.49 C ATOM 180 C GLN A 13 5.224 7.936 1.591 1.00 0.45 C ATOM 181 O GLN A 13 4.602 8.898 1.996 1.00 0.49 O ATOM 182 CB GLN A 13 6.607 9.525 0.219 1.00 0.57 C ATOM 183 CG GLN A 13 8.063 10.004 0.277 1.00 1.29 C ATOM 184 CD GLN A 13 8.102 11.518 0.511 1.00 1.75 C ATOM 185 OE1 GLN A 13 8.240 11.966 1.632 1.00 2.16 O ATOM 186 NE2 GLN A 13 7.991 12.330 -0.506 1.00 2.35 N ATOM 0 H GLN A 13 5.496 6.709 -0.476 1.00 0.46 H new ATOM 0 HA GLN A 13 7.386 7.905 1.374 1.00 0.49 H new ATOM 0 HB2 GLN A 13 6.245 9.559 -0.808 1.00 0.57 H new ATOM 0 HB3 GLN A 13 5.972 10.191 0.803 1.00 0.57 H new ATOM 0 HG2 GLN A 13 8.593 9.489 1.078 1.00 1.29 H new ATOM 0 HG3 GLN A 13 8.574 9.757 -0.654 1.00 1.29 H new ATOM 0 HE21 GLN A 13 7.875 11.955 -1.448 1.00 2.35 H new ATOM 0 HE22 GLN A 13 8.020 13.339 -0.359 1.00 2.35 H new ATOM 195 N THR A 14 4.828 6.693 1.788 1.00 0.38 N ATOM 196 CA THR A 14 3.572 6.329 2.523 1.00 0.35 C ATOM 197 C THR A 14 2.476 7.384 2.386 1.00 0.39 C ATOM 198 O THR A 14 2.410 8.349 3.128 1.00 0.44 O ATOM 199 CB THR A 14 3.810 6.044 3.992 1.00 0.36 C ATOM 200 OG1 THR A 14 4.633 7.051 4.569 1.00 0.43 O ATOM 201 CG2 THR A 14 4.468 4.674 4.130 1.00 0.33 C ATOM 0 H THR A 14 5.351 5.884 1.452 1.00 0.38 H new ATOM 0 HA THR A 14 3.231 5.412 2.043 1.00 0.35 H new ATOM 0 HB THR A 14 2.857 6.046 4.521 1.00 0.36 H new ATOM 0 HG1 THR A 14 4.128 7.531 5.258 1.00 0.43 H new ATOM 0 HG21 THR A 14 4.644 4.459 5.184 1.00 0.33 H new ATOM 0 HG22 THR A 14 3.813 3.912 3.709 1.00 0.33 H new ATOM 0 HG23 THR A 14 5.418 4.671 3.596 1.00 0.33 H new ATOM 209 N LEU A 15 1.588 7.168 1.461 1.00 0.36 N ATOM 210 CA LEU A 15 0.450 8.112 1.264 1.00 0.40 C ATOM 211 C LEU A 15 -0.567 7.904 2.393 1.00 0.42 C ATOM 212 O LEU A 15 -0.560 6.891 3.069 1.00 0.47 O ATOM 213 CB LEU A 15 -0.211 7.852 -0.093 1.00 0.38 C ATOM 214 CG LEU A 15 0.735 8.300 -1.214 1.00 0.41 C ATOM 215 CD1 LEU A 15 0.682 7.294 -2.366 1.00 0.98 C ATOM 216 CD2 LEU A 15 0.309 9.681 -1.720 1.00 0.93 C ATOM 0 H LEU A 15 1.599 6.371 0.825 1.00 0.36 H new ATOM 0 HA LEU A 15 0.813 9.139 1.283 1.00 0.40 H new ATOM 0 HB2 LEU A 15 -0.443 6.792 -0.200 1.00 0.38 H new ATOM 0 HB3 LEU A 15 -1.155 8.394 -0.160 1.00 0.38 H new ATOM 0 HG LEU A 15 1.753 8.352 -0.828 1.00 0.41 H new ATOM 0 HD11 LEU A 15 1.355 7.615 -3.161 1.00 0.98 H new ATOM 0 HD12 LEU A 15 0.988 6.312 -2.006 1.00 0.98 H new ATOM 0 HD13 LEU A 15 -0.335 7.237 -2.753 1.00 0.98 H new ATOM 0 HD21 LEU A 15 0.981 10.000 -2.517 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -0.710 9.630 -2.104 1.00 0.93 H new ATOM 0 HD23 LEU A 15 0.352 10.398 -0.900 1.00 0.93 H new ATOM 228 N GLN A 16 -1.429 8.860 2.616 1.00 0.43 N ATOM 229 CA GLN A 16 -2.427 8.727 3.715 1.00 0.45 C ATOM 230 C GLN A 16 -3.770 8.245 3.167 1.00 0.43 C ATOM 231 O GLN A 16 -4.757 8.958 3.177 1.00 0.47 O ATOM 232 CB GLN A 16 -2.597 10.077 4.425 1.00 0.52 C ATOM 233 CG GLN A 16 -1.729 10.102 5.685 1.00 0.61 C ATOM 234 CD GLN A 16 -1.817 11.483 6.341 1.00 1.05 C ATOM 235 OE1 GLN A 16 -2.826 11.828 6.924 1.00 1.78 O ATOM 236 NE2 GLN A 16 -0.796 12.296 6.273 1.00 1.60 N ATOM 0 H GLN A 16 -1.484 9.728 2.083 1.00 0.43 H new ATOM 0 HA GLN A 16 -2.066 7.989 4.431 1.00 0.45 H new ATOM 0 HB2 GLN A 16 -2.312 10.890 3.757 1.00 0.52 H new ATOM 0 HB3 GLN A 16 -3.643 10.233 4.688 1.00 0.52 H new ATOM 0 HG2 GLN A 16 -2.062 9.334 6.384 1.00 0.61 H new ATOM 0 HG3 GLN A 16 -0.694 9.874 5.431 1.00 0.61 H new ATOM 0 HE21 GLN A 16 0.052 12.010 5.784 1.00 1.60 H new ATOM 0 HE22 GLN A 16 -0.847 13.217 6.708 1.00 1.60 H new ATOM 245 N GLY A 17 -3.807 7.020 2.717 1.00 0.38 N ATOM 246 CA GLY A 17 -5.074 6.432 2.202 1.00 0.38 C ATOM 247 C GLY A 17 -5.523 7.147 0.936 1.00 0.34 C ATOM 248 O GLY A 17 -6.375 8.016 0.975 1.00 0.36 O ATOM 0 H GLY A 17 -3.002 6.395 2.685 1.00 0.38 H new ATOM 0 HA2 GLY A 17 -4.931 5.371 1.995 1.00 0.38 H new ATOM 0 HA3 GLY A 17 -5.851 6.507 2.963 1.00 0.38 H new ATOM 252 N ILE A 18 -4.981 6.767 -0.188 1.00 0.32 N ATOM 253 CA ILE A 18 -5.403 7.401 -1.463 1.00 0.32 C ATOM 254 C ILE A 18 -6.681 6.704 -1.937 1.00 0.31 C ATOM 255 O ILE A 18 -7.261 5.906 -1.221 1.00 0.31 O ATOM 256 CB ILE A 18 -4.274 7.328 -2.518 1.00 0.33 C ATOM 257 CG1 ILE A 18 -4.336 6.023 -3.326 1.00 0.31 C ATOM 258 CG2 ILE A 18 -2.906 7.440 -1.835 1.00 0.37 C ATOM 259 CD1 ILE A 18 -4.343 4.826 -2.386 1.00 0.28 C ATOM 0 H ILE A 18 -4.265 6.046 -0.276 1.00 0.32 H new ATOM 0 HA ILE A 18 -5.607 8.461 -1.311 1.00 0.32 H new ATOM 0 HB ILE A 18 -4.414 8.162 -3.206 1.00 0.33 H new ATOM 0 HG12 ILE A 18 -5.232 6.013 -3.947 1.00 0.31 H new ATOM 0 HG13 ILE A 18 -3.481 5.962 -3.999 1.00 0.31 H new ATOM 0 HG21 ILE A 18 -2.119 7.387 -2.587 1.00 0.37 H new ATOM 0 HG22 ILE A 18 -2.840 8.391 -1.306 1.00 0.37 H new ATOM 0 HG23 ILE A 18 -2.785 6.621 -1.126 1.00 0.37 H new ATOM 0 HD11 ILE A 18 -4.387 3.906 -2.969 1.00 0.28 H new ATOM 0 HD12 ILE A 18 -3.434 4.831 -1.784 1.00 0.28 H new ATOM 0 HD13 ILE A 18 -5.213 4.883 -1.731 1.00 0.28 H new ATOM 271 N HIS A 19 -7.135 6.996 -3.117 1.00 0.33 N ATOM 272 CA HIS A 19 -8.381 6.347 -3.599 1.00 0.35 C ATOM 273 C HIS A 19 -8.005 5.112 -4.446 1.00 0.33 C ATOM 274 O HIS A 19 -6.997 5.126 -5.129 1.00 0.33 O ATOM 275 CB HIS A 19 -9.210 7.386 -4.386 1.00 0.39 C ATOM 276 CG HIS A 19 -9.467 6.942 -5.797 1.00 0.40 C ATOM 277 ND1 HIS A 19 -10.741 6.682 -6.265 1.00 0.43 N ATOM 278 CD2 HIS A 19 -8.624 6.728 -6.853 1.00 0.39 C ATOM 279 CE1 HIS A 19 -10.630 6.328 -7.554 1.00 0.44 C ATOM 280 NE2 HIS A 19 -9.360 6.341 -7.967 1.00 0.42 N ATOM 0 H HIS A 19 -6.702 7.652 -3.767 1.00 0.33 H new ATOM 0 HA HIS A 19 -8.997 5.997 -2.771 1.00 0.35 H new ATOM 0 HB2 HIS A 19 -10.160 7.552 -3.879 1.00 0.39 H new ATOM 0 HB3 HIS A 19 -8.683 8.340 -4.396 1.00 0.39 H new ATOM 0 HD1 HIS A 19 -11.606 6.747 -5.729 1.00 0.43 H new ATOM 0 HD2 HIS A 19 -7.550 6.842 -6.825 1.00 0.39 H new ATOM 0 HE1 HIS A 19 -11.468 6.064 -8.183 1.00 0.44 H new ATOM 288 N PRO A 20 -8.805 4.065 -4.353 1.00 0.35 N ATOM 289 CA PRO A 20 -8.549 2.812 -5.083 1.00 0.36 C ATOM 290 C PRO A 20 -8.906 2.954 -6.576 1.00 0.39 C ATOM 291 O PRO A 20 -8.323 3.777 -7.253 1.00 0.39 O ATOM 292 CB PRO A 20 -9.417 1.785 -4.345 1.00 0.39 C ATOM 293 CG PRO A 20 -10.532 2.585 -3.641 1.00 0.42 C ATOM 294 CD PRO A 20 -10.023 4.028 -3.516 1.00 0.39 C ATOM 0 HA PRO A 20 -7.500 2.517 -5.092 1.00 0.36 H new ATOM 0 HB2 PRO A 20 -9.839 1.061 -5.042 1.00 0.39 H new ATOM 0 HB3 PRO A 20 -8.825 1.224 -3.622 1.00 0.39 H new ATOM 0 HG2 PRO A 20 -11.457 2.549 -4.216 1.00 0.42 H new ATOM 0 HG3 PRO A 20 -10.750 2.164 -2.659 1.00 0.42 H new ATOM 0 HD2 PRO A 20 -10.767 4.743 -3.866 1.00 0.39 H new ATOM 0 HD3 PRO A 20 -9.800 4.282 -2.480 1.00 0.39 H new ATOM 302 N LYS A 21 -9.801 2.134 -7.116 1.00 0.42 N ATOM 303 CA LYS A 21 -10.124 2.191 -8.583 1.00 0.45 C ATOM 304 C LYS A 21 -8.946 1.567 -9.343 1.00 0.44 C ATOM 305 O LYS A 21 -9.117 0.666 -10.143 1.00 0.47 O ATOM 306 CB LYS A 21 -10.362 3.633 -9.049 1.00 0.47 C ATOM 307 CG LYS A 21 -11.107 3.621 -10.388 1.00 0.54 C ATOM 308 CD LYS A 21 -12.148 4.745 -10.414 1.00 1.19 C ATOM 309 CE LYS A 21 -11.506 6.031 -10.945 1.00 1.70 C ATOM 310 NZ LYS A 21 -12.494 6.778 -11.776 1.00 2.42 N ATOM 0 H LYS A 21 -10.319 1.428 -6.594 1.00 0.42 H new ATOM 0 HA LYS A 21 -11.044 1.640 -8.780 1.00 0.45 H new ATOM 0 HB2 LYS A 21 -10.942 4.177 -8.303 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -9.410 4.154 -9.155 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -10.401 3.748 -11.208 1.00 0.54 H new ATOM 0 HG3 LYS A 21 -11.595 2.657 -10.534 1.00 0.54 H new ATOM 0 HD2 LYS A 21 -12.990 4.460 -11.045 1.00 1.19 H new ATOM 0 HD3 LYS A 21 -12.543 4.911 -9.412 1.00 1.19 H new ATOM 0 HE2 LYS A 21 -11.171 6.652 -10.114 1.00 1.70 H new ATOM 0 HE3 LYS A 21 -10.624 5.791 -11.539 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 -12.056 7.650 -12.135 1.00 2.42 H new ATOM 0 HZ2 LYS A 21 -12.793 6.185 -12.577 1.00 2.42 H new ATOM 0 HZ3 LYS A 21 -13.323 7.020 -11.196 1.00 2.42 H new ATOM 324 N ASN A 22 -7.748 2.007 -9.046 1.00 0.41 N ATOM 325 CA ASN A 22 -6.536 1.435 -9.665 1.00 0.41 C ATOM 326 C ASN A 22 -5.986 0.424 -8.666 1.00 0.38 C ATOM 327 O ASN A 22 -5.773 -0.730 -8.967 1.00 0.39 O ATOM 328 CB ASN A 22 -5.492 2.540 -9.870 1.00 0.41 C ATOM 329 CG ASN A 22 -6.168 3.857 -10.260 1.00 0.43 C ATOM 330 OD1 ASN A 22 -6.573 4.038 -11.392 1.00 0.46 O ATOM 331 ND2 ASN A 22 -6.306 4.792 -9.357 1.00 0.42 N ATOM 0 H ASN A 22 -7.566 2.759 -8.381 1.00 0.41 H new ATOM 0 HA ASN A 22 -6.762 0.980 -10.629 1.00 0.41 H new ATOM 0 HB2 ASN A 22 -4.917 2.678 -8.955 1.00 0.41 H new ATOM 0 HB3 ASN A 22 -4.788 2.243 -10.647 1.00 0.41 H new ATOM 0 HD21 ASN A 22 -6.754 5.675 -9.602 1.00 0.42 H new ATOM 0 HD22 ASN A 22 -5.966 4.638 -8.408 1.00 0.42 H new ATOM 338 N ILE A 23 -5.792 0.879 -7.456 1.00 0.35 N ATOM 339 CA ILE A 23 -5.286 0.025 -6.358 1.00 0.32 C ATOM 340 C ILE A 23 -6.041 -1.315 -6.357 1.00 0.35 C ATOM 341 O ILE A 23 -7.206 -1.384 -6.012 1.00 0.38 O ATOM 342 CB ILE A 23 -5.540 0.803 -5.065 1.00 0.30 C ATOM 343 CG1 ILE A 23 -4.367 1.747 -4.793 1.00 0.28 C ATOM 344 CG2 ILE A 23 -5.719 -0.143 -3.890 1.00 0.31 C ATOM 345 CD1 ILE A 23 -4.433 2.933 -5.758 1.00 0.28 C ATOM 0 H ILE A 23 -5.973 1.845 -7.182 1.00 0.35 H new ATOM 0 HA ILE A 23 -4.226 -0.202 -6.468 1.00 0.32 H new ATOM 0 HB ILE A 23 -6.456 1.381 -5.185 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -4.402 2.100 -3.762 1.00 0.28 H new ATOM 0 HG13 ILE A 23 -3.423 1.216 -4.916 1.00 0.28 H new ATOM 0 HG21 ILE A 23 -5.898 0.434 -2.983 1.00 0.31 H new ATOM 0 HG22 ILE A 23 -6.569 -0.799 -4.077 1.00 0.31 H new ATOM 0 HG23 ILE A 23 -4.818 -0.744 -3.766 1.00 0.31 H new ATOM 0 HD11 ILE A 23 -3.598 3.606 -5.565 1.00 0.28 H new ATOM 0 HD12 ILE A 23 -4.377 2.570 -6.784 1.00 0.28 H new ATOM 0 HD13 ILE A 23 -5.371 3.468 -5.613 1.00 0.28 H new ATOM 357 N GLN A 24 -5.384 -2.367 -6.768 1.00 0.36 N ATOM 358 CA GLN A 24 -6.026 -3.697 -6.826 1.00 0.40 C ATOM 359 C GLN A 24 -5.532 -4.581 -5.675 1.00 0.35 C ATOM 360 O GLN A 24 -6.192 -5.534 -5.302 1.00 0.36 O ATOM 361 CB GLN A 24 -5.638 -4.317 -8.159 1.00 0.47 C ATOM 362 CG GLN A 24 -6.890 -4.687 -8.960 1.00 0.56 C ATOM 363 CD GLN A 24 -6.480 -5.345 -10.282 1.00 1.33 C ATOM 364 OE1 GLN A 24 -5.509 -4.950 -10.898 1.00 2.13 O ATOM 365 NE2 GLN A 24 -7.185 -6.340 -10.751 1.00 1.88 N ATOM 0 H GLN A 24 -4.410 -2.352 -7.070 1.00 0.36 H new ATOM 0 HA GLN A 24 -7.108 -3.607 -6.733 1.00 0.40 H new ATOM 0 HB2 GLN A 24 -5.028 -3.617 -8.729 1.00 0.47 H new ATOM 0 HB3 GLN A 24 -5.030 -5.206 -7.991 1.00 0.47 H new ATOM 0 HG2 GLN A 24 -7.515 -5.368 -8.382 1.00 0.56 H new ATOM 0 HG3 GLN A 24 -7.485 -3.795 -9.156 1.00 0.56 H new ATOM 0 HE21 GLN A 24 -8.000 -6.674 -10.237 1.00 1.88 H new ATOM 0 HE22 GLN A 24 -6.920 -6.783 -11.631 1.00 1.88 H new ATOM 374 N SER A 25 -4.387 -4.280 -5.100 1.00 0.31 N ATOM 375 CA SER A 25 -3.883 -5.121 -3.972 1.00 0.27 C ATOM 376 C SER A 25 -2.866 -4.350 -3.132 1.00 0.25 C ATOM 377 O SER A 25 -2.570 -3.202 -3.394 1.00 0.26 O ATOM 378 CB SER A 25 -3.205 -6.371 -4.503 1.00 0.29 C ATOM 379 OG SER A 25 -2.213 -6.015 -5.457 1.00 0.35 O ATOM 0 H SER A 25 -3.789 -3.497 -5.362 1.00 0.31 H new ATOM 0 HA SER A 25 -4.742 -5.391 -3.357 1.00 0.27 H new ATOM 0 HB2 SER A 25 -2.750 -6.925 -3.682 1.00 0.29 H new ATOM 0 HB3 SER A 25 -3.943 -7.029 -4.961 1.00 0.29 H new ATOM 0 HG SER A 25 -1.778 -6.826 -5.795 1.00 0.35 H new ATOM 385 N VAL A 26 -2.328 -4.992 -2.126 1.00 0.23 N ATOM 386 CA VAL A 26 -1.314 -4.338 -1.258 1.00 0.22 C ATOM 387 C VAL A 26 -0.467 -5.409 -0.574 1.00 0.23 C ATOM 388 O VAL A 26 -0.884 -6.540 -0.399 1.00 0.24 O ATOM 389 CB VAL A 26 -1.988 -3.485 -0.178 1.00 0.22 C ATOM 390 CG1 VAL A 26 -3.212 -4.203 0.355 1.00 0.23 C ATOM 391 CG2 VAL A 26 -1.000 -3.235 0.972 1.00 0.24 C ATOM 0 H VAL A 26 -2.554 -5.953 -1.870 1.00 0.23 H new ATOM 0 HA VAL A 26 -0.692 -3.697 -1.882 1.00 0.22 H new ATOM 0 HB VAL A 26 -2.290 -2.532 -0.612 1.00 0.22 H new ATOM 0 HG11 VAL A 26 -3.687 -3.592 1.122 1.00 0.23 H new ATOM 0 HG12 VAL A 26 -3.916 -4.375 -0.459 1.00 0.23 H new ATOM 0 HG13 VAL A 26 -2.914 -5.159 0.785 1.00 0.23 H new ATOM 0 HG21 VAL A 26 -1.481 -2.628 1.739 1.00 0.24 H new ATOM 0 HG22 VAL A 26 -0.694 -4.188 1.402 1.00 0.24 H new ATOM 0 HG23 VAL A 26 -0.124 -2.711 0.591 1.00 0.24 H new ATOM 401 N ASN A 27 0.712 -5.040 -0.171 1.00 0.22 N ATOM 402 CA ASN A 27 1.604 -5.979 0.519 1.00 0.24 C ATOM 403 C ASN A 27 2.041 -5.380 1.849 1.00 0.29 C ATOM 404 O ASN A 27 2.301 -4.197 1.955 1.00 0.53 O ATOM 405 CB ASN A 27 2.835 -6.240 -0.323 1.00 0.32 C ATOM 406 CG ASN A 27 2.494 -6.211 -1.819 1.00 0.39 C ATOM 407 OD1 ASN A 27 1.644 -6.951 -2.277 1.00 0.76 O ATOM 408 ND2 ASN A 27 3.130 -5.387 -2.605 1.00 0.48 N ATOM 0 H ASN A 27 1.095 -4.103 -0.298 1.00 0.22 H new ATOM 0 HA ASN A 27 1.069 -6.914 0.685 1.00 0.24 H new ATOM 0 HB2 ASN A 27 3.595 -5.490 -0.105 1.00 0.32 H new ATOM 0 HB3 ASN A 27 3.260 -7.209 -0.062 1.00 0.32 H new ATOM 0 HD21 ASN A 27 2.914 -5.364 -3.602 1.00 0.48 H new ATOM 0 HD22 ASN A 27 3.843 -4.766 -2.223 1.00 0.48 H new ATOM 415 N VAL A 28 2.140 -6.195 2.856 1.00 0.20 N ATOM 416 CA VAL A 28 2.580 -5.685 4.189 1.00 0.21 C ATOM 417 C VAL A 28 3.708 -6.581 4.719 1.00 0.26 C ATOM 418 O VAL A 28 3.537 -7.771 4.886 1.00 0.33 O ATOM 419 CB VAL A 28 1.390 -5.666 5.160 1.00 0.26 C ATOM 420 CG1 VAL A 28 0.773 -7.059 5.269 1.00 0.31 C ATOM 421 CG2 VAL A 28 1.852 -5.201 6.546 1.00 0.32 C ATOM 0 H VAL A 28 1.936 -7.194 2.819 1.00 0.20 H new ATOM 0 HA VAL A 28 2.954 -4.665 4.094 1.00 0.21 H new ATOM 0 HB VAL A 28 0.640 -4.973 4.777 1.00 0.26 H new ATOM 0 HG11 VAL A 28 -0.069 -7.031 5.960 1.00 0.31 H new ATOM 0 HG12 VAL A 28 0.426 -7.381 4.287 1.00 0.31 H new ATOM 0 HG13 VAL A 28 1.521 -7.761 5.637 1.00 0.31 H new ATOM 0 HG21 VAL A 28 1.002 -5.190 7.228 1.00 0.32 H new ATOM 0 HG22 VAL A 28 2.612 -5.884 6.924 1.00 0.32 H new ATOM 0 HG23 VAL A 28 2.270 -4.197 6.472 1.00 0.32 H new ATOM 431 N LYS A 29 4.863 -6.010 4.956 1.00 0.28 N ATOM 432 CA LYS A 29 6.030 -6.811 5.441 1.00 0.37 C ATOM 433 C LYS A 29 6.630 -6.177 6.706 1.00 0.36 C ATOM 434 O LYS A 29 6.545 -4.979 6.923 1.00 0.41 O ATOM 435 CB LYS A 29 7.088 -6.857 4.324 1.00 0.45 C ATOM 436 CG LYS A 29 8.325 -7.650 4.769 1.00 1.10 C ATOM 437 CD LYS A 29 8.323 -9.022 4.094 1.00 1.19 C ATOM 438 CE LYS A 29 9.672 -9.702 4.298 1.00 0.98 C ATOM 439 NZ LYS A 29 10.688 -9.095 3.387 1.00 1.13 N ATOM 0 H LYS A 29 5.049 -5.015 4.833 1.00 0.28 H new ATOM 0 HA LYS A 29 5.703 -7.820 5.690 1.00 0.37 H new ATOM 0 HB2 LYS A 29 6.660 -7.314 3.432 1.00 0.45 H new ATOM 0 HB3 LYS A 29 7.380 -5.842 4.053 1.00 0.45 H new ATOM 0 HG2 LYS A 29 9.232 -7.106 4.507 1.00 1.10 H new ATOM 0 HG3 LYS A 29 8.325 -7.766 5.853 1.00 1.10 H new ATOM 0 HD2 LYS A 29 7.528 -9.640 4.510 1.00 1.19 H new ATOM 0 HD3 LYS A 29 8.118 -8.913 3.029 1.00 1.19 H new ATOM 0 HE2 LYS A 29 9.990 -9.595 5.335 1.00 0.98 H new ATOM 0 HE3 LYS A 29 9.585 -10.770 4.100 1.00 0.98 H new ATOM 0 HZ1 LYS A 29 11.524 -9.712 3.339 1.00 1.13 H new ATOM 0 HZ2 LYS A 29 10.282 -8.988 2.436 1.00 1.13 H new ATOM 0 HZ3 LYS A 29 10.967 -8.162 3.751 1.00 1.13 H new ATOM 453 N SER A 30 7.238 -6.994 7.532 1.00 0.39 N ATOM 454 CA SER A 30 7.870 -6.508 8.796 1.00 0.40 C ATOM 455 C SER A 30 9.286 -5.954 8.489 1.00 0.36 C ATOM 456 O SER A 30 9.803 -6.170 7.408 1.00 0.37 O ATOM 457 CB SER A 30 7.947 -7.707 9.766 1.00 0.51 C ATOM 458 OG SER A 30 9.262 -7.846 10.293 1.00 1.57 O ATOM 0 H SER A 30 7.324 -7.999 7.378 1.00 0.39 H new ATOM 0 HA SER A 30 7.287 -5.704 9.245 1.00 0.40 H new ATOM 0 HB2 SER A 30 7.236 -7.568 10.581 1.00 0.51 H new ATOM 0 HB3 SER A 30 7.660 -8.621 9.246 1.00 0.51 H new ATOM 0 HG SER A 30 9.217 -7.922 11.269 1.00 1.57 H new ATOM 464 N PRO A 31 9.877 -5.265 9.453 1.00 0.39 N ATOM 465 CA PRO A 31 11.238 -4.686 9.304 1.00 0.41 C ATOM 466 C PRO A 31 12.309 -5.788 9.378 1.00 0.50 C ATOM 467 O PRO A 31 11.991 -6.961 9.457 1.00 0.55 O ATOM 468 CB PRO A 31 11.351 -3.723 10.491 1.00 0.47 C ATOM 469 CG PRO A 31 10.321 -4.198 11.540 1.00 0.53 C ATOM 470 CD PRO A 31 9.256 -5.002 10.773 1.00 0.48 C ATOM 0 HA PRO A 31 11.389 -4.190 8.345 1.00 0.41 H new ATOM 0 HB2 PRO A 31 12.359 -3.734 10.905 1.00 0.47 H new ATOM 0 HB3 PRO A 31 11.145 -2.699 10.181 1.00 0.47 H new ATOM 0 HG2 PRO A 31 10.799 -4.814 12.301 1.00 0.53 H new ATOM 0 HG3 PRO A 31 9.871 -3.349 12.054 1.00 0.53 H new ATOM 0 HD2 PRO A 31 9.010 -5.930 11.289 1.00 0.48 H new ATOM 0 HD3 PRO A 31 8.329 -4.438 10.671 1.00 0.48 H new ATOM 478 N GLY A 32 13.578 -5.430 9.350 1.00 0.59 N ATOM 479 CA GLY A 32 14.638 -6.486 9.417 1.00 0.73 C ATOM 480 C GLY A 32 16.029 -5.883 9.179 1.00 0.79 C ATOM 481 O GLY A 32 16.762 -5.651 10.121 1.00 0.84 O ATOM 0 H GLY A 32 13.917 -4.470 9.285 1.00 0.59 H new ATOM 0 HA2 GLY A 32 14.610 -6.973 10.392 1.00 0.73 H new ATOM 0 HA3 GLY A 32 14.438 -7.255 8.671 1.00 0.73 H new ATOM 485 N PRO A 33 16.361 -5.663 7.922 1.00 0.88 N ATOM 486 CA PRO A 33 17.676 -5.106 7.531 1.00 1.01 C ATOM 487 C PRO A 33 17.776 -3.608 7.871 1.00 0.96 C ATOM 488 O PRO A 33 17.070 -3.110 8.727 1.00 0.87 O ATOM 489 CB PRO A 33 17.736 -5.356 6.017 1.00 1.16 C ATOM 490 CG PRO A 33 16.276 -5.526 5.542 1.00 1.11 C ATOM 491 CD PRO A 33 15.460 -5.943 6.777 1.00 0.93 C ATOM 0 HA PRO A 33 18.508 -5.567 8.063 1.00 1.01 H new ATOM 0 HB2 PRO A 33 18.216 -4.522 5.505 1.00 1.16 H new ATOM 0 HB3 PRO A 33 18.323 -6.247 5.794 1.00 1.16 H new ATOM 0 HG2 PRO A 33 15.894 -4.596 5.121 1.00 1.11 H new ATOM 0 HG3 PRO A 33 16.208 -6.282 4.759 1.00 1.11 H new ATOM 0 HD2 PRO A 33 14.533 -5.375 6.852 1.00 0.93 H new ATOM 0 HD3 PRO A 33 15.185 -6.997 6.735 1.00 0.93 H new ATOM 499 N HIS A 34 18.672 -2.897 7.222 1.00 1.09 N ATOM 500 CA HIS A 34 18.851 -1.432 7.514 1.00 1.12 C ATOM 501 C HIS A 34 17.562 -0.643 7.253 1.00 1.03 C ATOM 502 O HIS A 34 17.353 0.395 7.855 1.00 1.07 O ATOM 503 CB HIS A 34 19.995 -0.844 6.665 1.00 1.31 C ATOM 504 CG HIS A 34 19.971 -1.409 5.263 1.00 1.45 C ATOM 505 ND1 HIS A 34 21.125 -1.836 4.625 1.00 1.81 N ATOM 506 CD2 HIS A 34 18.949 -1.624 4.368 1.00 1.53 C ATOM 507 CE1 HIS A 34 20.774 -2.283 3.406 1.00 2.10 C ATOM 508 NE2 HIS A 34 19.459 -2.176 3.198 1.00 1.92 N ATOM 0 H HIS A 34 19.290 -3.268 6.500 1.00 1.09 H new ATOM 0 HA HIS A 34 19.102 -1.342 8.571 1.00 1.12 H new ATOM 0 HB2 HIS A 34 19.903 0.241 6.626 1.00 1.31 H new ATOM 0 HB3 HIS A 34 20.953 -1.066 7.135 1.00 1.31 H new ATOM 0 HD1 HIS A 34 22.069 -1.815 5.010 1.00 1.81 H new ATOM 0 HD2 HIS A 34 17.908 -1.398 4.547 1.00 1.53 H new ATOM 0 HE1 HIS A 34 21.471 -2.680 2.683 1.00 2.10 H new ATOM 516 N CYS A 35 16.674 -1.126 6.412 1.00 0.96 N ATOM 517 CA CYS A 35 15.396 -0.386 6.204 1.00 0.92 C ATOM 518 C CYS A 35 14.671 -0.432 7.556 1.00 0.91 C ATOM 519 O CYS A 35 14.067 0.534 7.981 1.00 1.62 O ATOM 520 CB CYS A 35 14.583 -1.053 5.083 1.00 1.05 C ATOM 521 SG CYS A 35 13.181 -0.006 4.593 1.00 0.88 S ATOM 0 H CYS A 35 16.780 -1.985 5.872 1.00 0.96 H new ATOM 0 HA CYS A 35 15.551 0.646 5.891 1.00 0.92 H new ATOM 0 HB2 CYS A 35 15.225 -1.236 4.221 1.00 1.05 H new ATOM 0 HB3 CYS A 35 14.218 -2.023 5.420 1.00 1.05 H new ATOM 526 N ALA A 36 14.825 -1.546 8.261 1.00 0.80 N ATOM 527 CA ALA A 36 14.263 -1.721 9.640 1.00 0.72 C ATOM 528 C ALA A 36 12.942 -0.972 9.822 1.00 0.72 C ATOM 529 O ALA A 36 12.699 -0.327 10.827 1.00 1.14 O ATOM 530 CB ALA A 36 15.303 -1.209 10.622 1.00 0.80 C ATOM 0 H ALA A 36 15.334 -2.360 7.918 1.00 0.80 H new ATOM 0 HA ALA A 36 14.044 -2.775 9.812 1.00 0.72 H new ATOM 0 HB1 ALA A 36 14.928 -1.320 11.640 1.00 0.80 H new ATOM 0 HB2 ALA A 36 16.223 -1.782 10.509 1.00 0.80 H new ATOM 0 HB3 ALA A 36 15.505 -0.156 10.423 1.00 0.80 H new ATOM 536 N GLN A 37 12.093 -1.077 8.852 1.00 0.68 N ATOM 537 CA GLN A 37 10.766 -0.406 8.911 1.00 0.67 C ATOM 538 C GLN A 37 9.724 -1.376 8.368 1.00 0.56 C ATOM 539 O GLN A 37 10.049 -2.350 7.711 1.00 0.61 O ATOM 540 CB GLN A 37 10.817 0.871 8.057 1.00 0.77 C ATOM 541 CG GLN A 37 9.422 1.395 7.679 1.00 1.43 C ATOM 542 CD GLN A 37 9.549 2.827 7.152 1.00 2.21 C ATOM 543 OE1 GLN A 37 10.213 3.066 6.162 1.00 2.86 O ATOM 544 NE2 GLN A 37 8.934 3.798 7.773 1.00 2.89 N ATOM 0 H GLN A 37 12.261 -1.610 7.999 1.00 0.68 H new ATOM 0 HA GLN A 37 10.507 -0.130 9.933 1.00 0.67 H new ATOM 0 HB2 GLN A 37 11.355 1.646 8.603 1.00 0.77 H new ATOM 0 HB3 GLN A 37 11.383 0.671 7.147 1.00 0.77 H new ATOM 0 HG2 GLN A 37 8.973 0.754 6.921 1.00 1.43 H new ATOM 0 HG3 GLN A 37 8.764 1.371 8.547 1.00 1.43 H new ATOM 0 HE21 GLN A 37 8.376 3.600 8.604 1.00 2.89 H new ATOM 0 HE22 GLN A 37 9.011 4.754 7.427 1.00 2.89 H new ATOM 553 N THR A 38 8.484 -1.119 8.642 1.00 0.50 N ATOM 554 CA THR A 38 7.400 -2.018 8.150 1.00 0.41 C ATOM 555 C THR A 38 7.345 -1.978 6.620 1.00 0.35 C ATOM 556 O THR A 38 8.253 -1.509 5.956 1.00 0.39 O ATOM 557 CB THR A 38 6.034 -1.578 8.709 1.00 0.44 C ATOM 558 OG1 THR A 38 6.205 -0.557 9.685 1.00 0.56 O ATOM 559 CG2 THR A 38 5.360 -2.783 9.346 1.00 0.44 C ATOM 0 H THR A 38 8.166 -0.320 9.190 1.00 0.50 H new ATOM 0 HA THR A 38 7.617 -3.031 8.489 1.00 0.41 H new ATOM 0 HB THR A 38 5.419 -1.185 7.900 1.00 0.44 H new ATOM 0 HG1 THR A 38 5.329 -0.285 10.031 1.00 0.56 H new ATOM 0 HG21 THR A 38 4.390 -2.488 9.747 1.00 0.44 H new ATOM 0 HG22 THR A 38 5.221 -3.561 8.595 1.00 0.44 H new ATOM 0 HG23 THR A 38 5.985 -3.165 10.153 1.00 0.44 H new ATOM 567 N GLU A 39 6.265 -2.437 6.064 1.00 0.28 N ATOM 568 CA GLU A 39 6.096 -2.413 4.602 1.00 0.25 C ATOM 569 C GLU A 39 4.622 -2.374 4.355 1.00 0.20 C ATOM 570 O GLU A 39 3.861 -3.068 5.002 1.00 0.21 O ATOM 571 CB GLU A 39 6.641 -3.661 3.938 1.00 0.27 C ATOM 572 CG GLU A 39 7.796 -3.295 3.003 1.00 0.38 C ATOM 573 CD GLU A 39 8.227 -4.532 2.211 1.00 1.36 C ATOM 574 OE1 GLU A 39 7.510 -4.907 1.297 1.00 1.92 O ATOM 575 OE2 GLU A 39 9.267 -5.083 2.532 1.00 2.26 O ATOM 0 H GLU A 39 5.479 -2.835 6.578 1.00 0.28 H new ATOM 0 HA GLU A 39 6.633 -1.558 4.192 1.00 0.25 H new ATOM 0 HB2 GLU A 39 6.985 -4.365 4.696 1.00 0.27 H new ATOM 0 HB3 GLU A 39 5.851 -4.158 3.376 1.00 0.27 H new ATOM 0 HG2 GLU A 39 7.488 -2.503 2.321 1.00 0.38 H new ATOM 0 HG3 GLU A 39 8.636 -2.909 3.580 1.00 0.38 H new ATOM 582 N VAL A 40 4.203 -1.548 3.478 1.00 0.17 N ATOM 583 CA VAL A 40 2.773 -1.430 3.241 1.00 0.16 C ATOM 584 C VAL A 40 2.586 -0.923 1.815 1.00 0.15 C ATOM 585 O VAL A 40 2.268 0.226 1.588 1.00 0.19 O ATOM 586 CB VAL A 40 2.252 -0.442 4.295 1.00 0.19 C ATOM 587 CG1 VAL A 40 1.821 -1.235 5.523 1.00 0.25 C ATOM 588 CG2 VAL A 40 3.391 0.497 4.734 1.00 0.22 C ATOM 0 H VAL A 40 4.795 -0.943 2.909 1.00 0.17 H new ATOM 0 HA VAL A 40 2.226 -2.369 3.331 1.00 0.16 H new ATOM 0 HB VAL A 40 1.426 0.133 3.875 1.00 0.19 H new ATOM 0 HG11 VAL A 40 1.447 -0.551 6.285 1.00 0.25 H new ATOM 0 HG12 VAL A 40 1.033 -1.935 5.246 1.00 0.25 H new ATOM 0 HG13 VAL A 40 2.674 -1.787 5.918 1.00 0.25 H new ATOM 0 HG21 VAL A 40 3.018 1.197 5.482 1.00 0.22 H new ATOM 0 HG22 VAL A 40 4.203 -0.091 5.161 1.00 0.22 H new ATOM 0 HG23 VAL A 40 3.759 1.051 3.870 1.00 0.22 H new ATOM 598 N ILE A 41 2.861 -1.769 0.853 1.00 0.16 N ATOM 599 CA ILE A 41 2.798 -1.347 -0.565 1.00 0.16 C ATOM 600 C ILE A 41 1.487 -1.752 -1.242 1.00 0.16 C ATOM 601 O ILE A 41 1.204 -2.913 -1.411 1.00 0.19 O ATOM 602 CB ILE A 41 3.983 -1.991 -1.283 1.00 0.21 C ATOM 603 CG1 ILE A 41 5.200 -1.067 -1.115 1.00 0.23 C ATOM 604 CG2 ILE A 41 3.661 -2.187 -2.765 1.00 0.28 C ATOM 605 CD1 ILE A 41 6.209 -1.288 -2.244 1.00 0.74 C ATOM 0 H ILE A 41 3.128 -2.742 1.000 1.00 0.16 H new ATOM 0 HA ILE A 41 2.841 -0.259 -0.616 1.00 0.16 H new ATOM 0 HB ILE A 41 4.196 -2.971 -0.856 1.00 0.21 H new ATOM 0 HG12 ILE A 41 4.875 -0.027 -1.110 1.00 0.23 H new ATOM 0 HG13 ILE A 41 5.676 -1.256 -0.153 1.00 0.23 H new ATOM 0 HG21 ILE A 41 4.514 -2.647 -3.265 1.00 0.28 H new ATOM 0 HG22 ILE A 41 2.789 -2.834 -2.866 1.00 0.28 H new ATOM 0 HG23 ILE A 41 3.450 -1.220 -3.222 1.00 0.28 H new ATOM 0 HD11 ILE A 41 7.062 -0.624 -2.105 1.00 0.74 H new ATOM 0 HD12 ILE A 41 6.549 -2.323 -2.230 1.00 0.74 H new ATOM 0 HD13 ILE A 41 5.735 -1.074 -3.202 1.00 0.74 H new ATOM 617 N ALA A 42 0.718 -0.793 -1.689 1.00 0.15 N ATOM 618 CA ALA A 42 -0.544 -1.109 -2.412 1.00 0.17 C ATOM 619 C ALA A 42 -0.226 -1.240 -3.893 1.00 0.21 C ATOM 620 O ALA A 42 0.140 -0.277 -4.541 1.00 0.22 O ATOM 621 CB ALA A 42 -1.547 0.012 -2.193 1.00 0.15 C ATOM 0 H ALA A 42 0.914 0.202 -1.582 1.00 0.15 H new ATOM 0 HA ALA A 42 -0.972 -2.040 -2.041 1.00 0.17 H new ATOM 0 HB1 ALA A 42 -2.472 -0.219 -2.722 1.00 0.15 H new ATOM 0 HB2 ALA A 42 -1.754 0.112 -1.128 1.00 0.15 H new ATOM 0 HB3 ALA A 42 -1.136 0.948 -2.572 1.00 0.15 H new ATOM 627 N THR A 43 -0.351 -2.425 -4.438 1.00 0.24 N ATOM 628 CA THR A 43 -0.037 -2.599 -5.876 1.00 0.29 C ATOM 629 C THR A 43 -1.132 -1.953 -6.709 1.00 0.30 C ATOM 630 O THR A 43 -2.308 -2.233 -6.553 1.00 0.31 O ATOM 631 CB THR A 43 0.071 -4.080 -6.253 1.00 0.34 C ATOM 632 OG1 THR A 43 0.597 -4.828 -5.162 1.00 0.36 O ATOM 633 CG2 THR A 43 0.986 -4.219 -7.469 1.00 0.37 C ATOM 0 H THR A 43 -0.654 -3.267 -3.949 1.00 0.24 H new ATOM 0 HA THR A 43 0.925 -2.125 -6.073 1.00 0.29 H new ATOM 0 HB THR A 43 -0.920 -4.467 -6.492 1.00 0.34 H new ATOM 0 HG1 THR A 43 -0.076 -5.468 -4.850 1.00 0.36 H new ATOM 0 HG21 THR A 43 1.068 -5.271 -7.744 1.00 0.37 H new ATOM 0 HG22 THR A 43 0.569 -3.657 -8.305 1.00 0.37 H new ATOM 0 HG23 THR A 43 1.975 -3.829 -7.227 1.00 0.37 H new ATOM 641 N LEU A 44 -0.739 -1.074 -7.576 1.00 0.32 N ATOM 642 CA LEU A 44 -1.702 -0.359 -8.430 1.00 0.34 C ATOM 643 C LEU A 44 -2.249 -1.272 -9.534 1.00 0.38 C ATOM 644 O LEU A 44 -1.624 -2.252 -9.902 1.00 0.40 O ATOM 645 CB LEU A 44 -0.958 0.798 -9.066 1.00 0.37 C ATOM 646 CG LEU A 44 -1.189 2.069 -8.268 1.00 0.35 C ATOM 647 CD1 LEU A 44 -2.425 2.752 -8.843 1.00 0.36 C ATOM 648 CD2 LEU A 44 -1.386 1.747 -6.764 1.00 0.29 C ATOM 0 H LEU A 44 0.236 -0.817 -7.729 1.00 0.32 H new ATOM 0 HA LEU A 44 -2.546 -0.019 -7.831 1.00 0.34 H new ATOM 0 HB2 LEU A 44 0.108 0.575 -9.109 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -1.296 0.938 -10.093 1.00 0.37 H new ATOM 0 HG LEU A 44 -0.323 2.727 -8.342 1.00 0.35 H new ATOM 0 HD11 LEU A 44 -2.622 3.672 -8.292 1.00 0.36 H new ATOM 0 HD12 LEU A 44 -2.255 2.987 -9.894 1.00 0.36 H new ATOM 0 HD13 LEU A 44 -3.283 2.086 -8.755 1.00 0.36 H new ATOM 0 HD21 LEU A 44 -1.550 2.673 -6.212 1.00 0.29 H new ATOM 0 HD22 LEU A 44 -2.250 1.094 -6.642 1.00 0.29 H new ATOM 0 HD23 LEU A 44 -0.497 1.248 -6.379 1.00 0.29 H new ATOM 660 N LYS A 45 -3.396 -0.915 -10.081 1.00 0.41 N ATOM 661 CA LYS A 45 -4.040 -1.693 -11.173 1.00 0.46 C ATOM 662 C LYS A 45 -3.097 -1.853 -12.353 1.00 0.50 C ATOM 663 O LYS A 45 -3.021 -2.908 -12.955 1.00 0.53 O ATOM 664 CB LYS A 45 -5.269 -0.919 -11.628 1.00 0.48 C ATOM 665 CG LYS A 45 -6.524 -1.794 -11.528 1.00 0.50 C ATOM 666 CD LYS A 45 -6.750 -2.527 -12.853 1.00 0.78 C ATOM 667 CE LYS A 45 -8.223 -2.930 -12.968 1.00 1.28 C ATOM 668 NZ LYS A 45 -8.524 -3.340 -14.371 1.00 1.70 N ATOM 0 H LYS A 45 -3.920 -0.087 -9.798 1.00 0.41 H new ATOM 0 HA LYS A 45 -4.304 -2.685 -10.807 1.00 0.46 H new ATOM 0 HB2 LYS A 45 -5.391 -0.026 -11.014 1.00 0.48 H new ATOM 0 HB3 LYS A 45 -5.134 -0.583 -12.656 1.00 0.48 H new ATOM 0 HG2 LYS A 45 -6.413 -2.514 -10.717 1.00 0.50 H new ATOM 0 HG3 LYS A 45 -7.391 -1.177 -11.290 1.00 0.50 H new ATOM 0 HD2 LYS A 45 -6.471 -1.885 -13.688 1.00 0.78 H new ATOM 0 HD3 LYS A 45 -6.115 -3.411 -12.905 1.00 0.78 H new ATOM 0 HE2 LYS A 45 -8.440 -3.751 -12.285 1.00 1.28 H new ATOM 0 HE3 LYS A 45 -8.862 -2.096 -12.678 1.00 1.28 H new ATOM 0 HZ1 LYS A 45 -9.525 -3.613 -14.446 1.00 1.70 H new ATOM 0 HZ2 LYS A 45 -8.333 -2.545 -15.014 1.00 1.70 H new ATOM 0 HZ3 LYS A 45 -7.924 -4.148 -14.633 1.00 1.70 H new ATOM 682 N ASN A 46 -2.372 -0.818 -12.687 1.00 0.51 N ATOM 683 CA ASN A 46 -1.422 -0.919 -13.831 1.00 0.57 C ATOM 684 C ASN A 46 -0.218 -1.809 -13.445 1.00 0.58 C ATOM 685 O ASN A 46 0.707 -1.979 -14.219 1.00 0.66 O ATOM 686 CB ASN A 46 -0.946 0.486 -14.214 1.00 0.60 C ATOM 687 CG ASN A 46 -0.077 1.073 -13.099 1.00 0.81 C ATOM 688 OD1 ASN A 46 1.095 0.772 -13.012 1.00 1.87 O ATOM 689 ND2 ASN A 46 -0.606 1.903 -12.240 1.00 0.59 N ATOM 0 H ASN A 46 -2.397 0.088 -12.219 1.00 0.51 H new ATOM 0 HA ASN A 46 -1.925 -1.374 -14.684 1.00 0.57 H new ATOM 0 HB2 ASN A 46 -0.378 0.445 -15.144 1.00 0.60 H new ATOM 0 HB3 ASN A 46 -1.805 1.132 -14.394 1.00 0.60 H new ATOM 0 HD21 ASN A 46 -0.033 2.299 -11.495 1.00 0.59 H new ATOM 0 HD22 ASN A 46 -1.592 2.155 -12.315 1.00 0.59 H new ATOM 696 N GLY A 47 -0.223 -2.368 -12.252 1.00 0.52 N ATOM 697 CA GLY A 47 0.904 -3.230 -11.799 1.00 0.53 C ATOM 698 C GLY A 47 1.980 -2.342 -11.186 1.00 0.52 C ATOM 699 O GLY A 47 3.163 -2.598 -11.319 1.00 0.57 O ATOM 0 H GLY A 47 -0.974 -2.257 -11.570 1.00 0.52 H new ATOM 0 HA2 GLY A 47 0.553 -3.958 -11.068 1.00 0.53 H new ATOM 0 HA3 GLY A 47 1.311 -3.793 -12.639 1.00 0.53 H new ATOM 703 N ARG A 48 1.569 -1.306 -10.498 1.00 0.48 N ATOM 704 CA ARG A 48 2.551 -0.391 -9.845 1.00 0.49 C ATOM 705 C ARG A 48 2.459 -0.610 -8.343 1.00 0.42 C ATOM 706 O ARG A 48 1.845 -1.555 -7.895 1.00 0.40 O ATOM 707 CB ARG A 48 2.208 1.067 -10.178 1.00 0.56 C ATOM 708 CG ARG A 48 3.185 1.598 -11.226 1.00 0.80 C ATOM 709 CD ARG A 48 2.732 2.987 -11.691 1.00 0.81 C ATOM 710 NE ARG A 48 3.843 3.658 -12.430 1.00 1.00 N ATOM 711 CZ ARG A 48 3.717 4.903 -12.814 1.00 1.32 C ATOM 712 NH1 ARG A 48 3.995 5.875 -11.983 1.00 1.93 N ATOM 713 NH2 ARG A 48 3.317 5.176 -14.030 1.00 2.01 N ATOM 0 H ARG A 48 0.590 -1.055 -10.361 1.00 0.48 H new ATOM 0 HA ARG A 48 3.560 -0.598 -10.202 1.00 0.49 H new ATOM 0 HB2 ARG A 48 1.186 1.134 -10.552 1.00 0.56 H new ATOM 0 HB3 ARG A 48 2.259 1.678 -9.277 1.00 0.56 H new ATOM 0 HG2 ARG A 48 4.190 1.653 -10.807 1.00 0.80 H new ATOM 0 HG3 ARG A 48 3.231 0.916 -12.075 1.00 0.80 H new ATOM 0 HD2 ARG A 48 1.856 2.898 -12.334 1.00 0.81 H new ATOM 0 HD3 ARG A 48 2.437 3.590 -10.832 1.00 0.81 H new ATOM 0 HE ARG A 48 4.701 3.146 -12.636 1.00 1.00 H new ATOM 0 HH11 ARG A 48 4.310 5.662 -11.036 1.00 1.93 H new ATOM 0 HH12 ARG A 48 3.897 6.845 -12.282 1.00 1.93 H new ATOM 0 HH21 ARG A 48 3.103 4.418 -14.679 1.00 2.01 H new ATOM 0 HH22 ARG A 48 3.219 6.146 -14.329 1.00 2.01 H new ATOM 727 N LYS A 49 3.054 0.236 -7.555 1.00 0.40 N ATOM 728 CA LYS A 49 2.967 0.045 -6.090 1.00 0.35 C ATOM 729 C LYS A 49 3.108 1.375 -5.358 1.00 0.31 C ATOM 730 O LYS A 49 3.782 2.287 -5.799 1.00 0.36 O ATOM 731 CB LYS A 49 4.059 -0.910 -5.606 1.00 0.44 C ATOM 732 CG LYS A 49 5.273 -0.912 -6.556 1.00 0.72 C ATOM 733 CD LYS A 49 6.005 0.436 -6.514 1.00 0.74 C ATOM 734 CE LYS A 49 6.475 0.740 -5.088 1.00 0.47 C ATOM 735 NZ LYS A 49 7.659 1.644 -5.139 1.00 1.04 N ATOM 0 H LYS A 49 3.593 1.046 -7.862 1.00 0.40 H new ATOM 0 HA LYS A 49 1.988 -0.381 -5.871 1.00 0.35 H new ATOM 0 HB2 LYS A 49 4.380 -0.620 -4.605 1.00 0.44 H new ATOM 0 HB3 LYS A 49 3.654 -1.919 -5.531 1.00 0.44 H new ATOM 0 HG2 LYS A 49 5.959 -1.711 -6.274 1.00 0.72 H new ATOM 0 HG3 LYS A 49 4.943 -1.119 -7.574 1.00 0.72 H new ATOM 0 HD2 LYS A 49 6.860 0.415 -7.190 1.00 0.74 H new ATOM 0 HD3 LYS A 49 5.343 1.228 -6.863 1.00 0.74 H new ATOM 0 HE2 LYS A 49 5.671 1.208 -4.520 1.00 0.47 H new ATOM 0 HE3 LYS A 49 6.732 -0.186 -4.573 1.00 0.47 H new ATOM 0 HZ1 LYS A 49 7.876 1.987 -4.181 1.00 1.04 H new ATOM 0 HZ2 LYS A 49 8.478 1.123 -5.514 1.00 1.04 H new ATOM 0 HZ3 LYS A 49 7.451 2.454 -5.758 1.00 1.04 H new ATOM 749 N ALA A 50 2.487 1.463 -4.219 1.00 0.24 N ATOM 750 CA ALA A 50 2.580 2.704 -3.390 1.00 0.23 C ATOM 751 C ALA A 50 2.694 2.291 -1.944 1.00 0.19 C ATOM 752 O ALA A 50 2.266 1.228 -1.584 1.00 0.21 O ATOM 753 CB ALA A 50 1.315 3.542 -3.520 1.00 0.22 C ATOM 0 H ALA A 50 1.911 0.723 -3.818 1.00 0.24 H new ATOM 0 HA ALA A 50 3.439 3.286 -3.725 1.00 0.23 H new ATOM 0 HB1 ALA A 50 1.408 4.439 -2.907 1.00 0.22 H new ATOM 0 HB2 ALA A 50 1.173 3.828 -4.562 1.00 0.22 H new ATOM 0 HB3 ALA A 50 0.457 2.960 -3.183 1.00 0.22 H new ATOM 759 N CYS A 51 3.189 3.133 -1.092 1.00 0.22 N ATOM 760 CA CYS A 51 3.230 2.755 0.329 1.00 0.20 C ATOM 761 C CYS A 51 2.318 3.715 1.053 1.00 0.21 C ATOM 762 O CYS A 51 2.144 4.836 0.623 1.00 0.24 O ATOM 763 CB CYS A 51 4.653 2.833 0.893 1.00 0.24 C ATOM 764 SG CYS A 51 5.110 1.191 1.514 1.00 0.26 S ATOM 0 H CYS A 51 3.562 4.055 -1.318 1.00 0.22 H new ATOM 0 HA CYS A 51 2.906 1.722 0.458 1.00 0.20 H new ATOM 0 HB2 CYS A 51 5.351 3.154 0.120 1.00 0.24 H new ATOM 0 HB3 CYS A 51 4.704 3.570 1.695 1.00 0.24 H new ATOM 769 N LEU A 52 1.714 3.291 2.119 1.00 0.21 N ATOM 770 CA LEU A 52 0.812 4.198 2.867 1.00 0.26 C ATOM 771 C LEU A 52 1.154 4.068 4.347 1.00 0.29 C ATOM 772 O LEU A 52 1.923 3.210 4.732 1.00 0.29 O ATOM 773 CB LEU A 52 -0.678 3.903 2.584 1.00 0.26 C ATOM 774 CG LEU A 52 -0.876 2.490 2.032 1.00 0.21 C ATOM 775 CD1 LEU A 52 -0.231 2.355 0.637 1.00 0.17 C ATOM 776 CD2 LEU A 52 -0.281 1.497 3.029 1.00 0.21 C ATOM 0 H LEU A 52 1.806 2.352 2.507 1.00 0.21 H new ATOM 0 HA LEU A 52 0.964 5.226 2.540 1.00 0.26 H new ATOM 0 HB2 LEU A 52 -1.254 4.020 3.502 1.00 0.26 H new ATOM 0 HB3 LEU A 52 -1.065 4.631 1.871 1.00 0.26 H new ATOM 0 HG LEU A 52 -1.938 2.279 1.908 1.00 0.21 H new ATOM 0 HD11 LEU A 52 -0.383 1.343 0.262 1.00 0.17 H new ATOM 0 HD12 LEU A 52 -0.691 3.068 -0.047 1.00 0.17 H new ATOM 0 HD13 LEU A 52 0.837 2.559 0.709 1.00 0.17 H new ATOM 0 HD21 LEU A 52 -0.412 0.482 2.654 1.00 0.21 H new ATOM 0 HD22 LEU A 52 0.782 1.702 3.157 1.00 0.21 H new ATOM 0 HD23 LEU A 52 -0.788 1.597 3.989 1.00 0.21 H new ATOM 788 N ASN A 53 0.642 4.932 5.172 1.00 0.34 N ATOM 789 CA ASN A 53 0.991 4.873 6.622 1.00 0.39 C ATOM 790 C ASN A 53 -0.037 4.035 7.398 1.00 0.40 C ATOM 791 O ASN A 53 -1.036 4.573 7.811 1.00 0.43 O ATOM 792 CB ASN A 53 0.991 6.295 7.196 1.00 0.45 C ATOM 793 CG ASN A 53 2.381 6.918 7.051 1.00 0.55 C ATOM 794 OD1 ASN A 53 2.571 7.829 6.269 1.00 1.17 O ATOM 795 ND2 ASN A 53 3.366 6.467 7.781 1.00 0.88 N ATOM 0 H ASN A 53 -0.003 5.677 4.910 1.00 0.34 H new ATOM 0 HA ASN A 53 1.974 4.414 6.722 1.00 0.39 H new ATOM 0 HB2 ASN A 53 0.254 6.906 6.676 1.00 0.45 H new ATOM 0 HB3 ASN A 53 0.702 6.272 8.247 1.00 0.45 H new ATOM 0 HD21 ASN A 53 4.295 6.879 7.695 1.00 0.88 H new ATOM 0 HD22 ASN A 53 3.206 5.703 8.437 1.00 0.88 H new ATOM 802 N PRO A 54 0.222 2.758 7.635 1.00 0.39 N ATOM 803 CA PRO A 54 -0.722 1.926 8.410 1.00 0.44 C ATOM 804 C PRO A 54 -0.859 2.498 9.824 1.00 0.49 C ATOM 805 O PRO A 54 -1.907 2.401 10.435 1.00 0.53 O ATOM 806 CB PRO A 54 -0.107 0.526 8.372 1.00 0.44 C ATOM 807 CG PRO A 54 1.377 0.732 8.027 1.00 0.41 C ATOM 808 CD PRO A 54 1.443 2.034 7.215 1.00 0.37 C ATOM 0 HA PRO A 54 -1.736 1.903 8.011 1.00 0.44 H new ATOM 0 HB2 PRO A 54 -0.219 0.023 9.332 1.00 0.44 H new ATOM 0 HB3 PRO A 54 -0.599 -0.098 7.626 1.00 0.44 H new ATOM 0 HG2 PRO A 54 1.982 0.804 8.931 1.00 0.41 H new ATOM 0 HG3 PRO A 54 1.764 -0.108 7.451 1.00 0.41 H new ATOM 0 HD2 PRO A 54 2.345 2.603 7.439 1.00 0.37 H new ATOM 0 HD3 PRO A 54 1.447 1.840 6.142 1.00 0.37 H new ATOM 816 N ALA A 55 0.167 3.169 10.313 1.00 0.51 N ATOM 817 CA ALA A 55 0.059 3.834 11.643 1.00 0.57 C ATOM 818 C ALA A 55 -1.041 4.900 11.519 1.00 0.59 C ATOM 819 O ALA A 55 -1.762 5.183 12.458 1.00 0.64 O ATOM 820 CB ALA A 55 1.391 4.501 12.002 1.00 0.58 C ATOM 0 H ALA A 55 1.066 3.279 9.845 1.00 0.51 H new ATOM 0 HA ALA A 55 -0.180 3.112 12.424 1.00 0.57 H new ATOM 0 HB1 ALA A 55 1.305 4.985 12.975 1.00 0.58 H new ATOM 0 HB2 ALA A 55 2.177 3.747 12.040 1.00 0.58 H new ATOM 0 HB3 ALA A 55 1.640 5.246 11.247 1.00 0.58 H new ATOM 826 N SER A 56 -1.187 5.460 10.330 1.00 0.56 N ATOM 827 CA SER A 56 -2.249 6.473 10.072 1.00 0.58 C ATOM 828 C SER A 56 -3.622 5.791 10.230 1.00 0.60 C ATOM 829 O SER A 56 -3.746 4.611 9.958 1.00 0.58 O ATOM 830 CB SER A 56 -2.114 6.997 8.636 1.00 0.54 C ATOM 831 OG SER A 56 -2.348 8.400 8.620 1.00 0.62 O ATOM 0 H SER A 56 -0.601 5.247 9.523 1.00 0.56 H new ATOM 0 HA SER A 56 -2.153 7.302 10.773 1.00 0.58 H new ATOM 0 HB2 SER A 56 -1.118 6.779 8.250 1.00 0.54 H new ATOM 0 HB3 SER A 56 -2.826 6.491 7.984 1.00 0.54 H new ATOM 0 HG SER A 56 -1.508 8.870 8.437 1.00 0.62 H new ATOM 837 N PRO A 57 -4.616 6.541 10.651 1.00 0.65 N ATOM 838 CA PRO A 57 -5.984 6.006 10.835 1.00 0.68 C ATOM 839 C PRO A 57 -6.651 5.788 9.468 1.00 0.64 C ATOM 840 O PRO A 57 -7.059 4.685 9.135 1.00 0.61 O ATOM 841 CB PRO A 57 -6.691 7.095 11.651 1.00 0.76 C ATOM 842 CG PRO A 57 -5.892 8.400 11.423 1.00 0.76 C ATOM 843 CD PRO A 57 -4.480 7.979 10.971 1.00 0.70 C ATOM 0 HA PRO A 57 -6.014 5.039 11.336 1.00 0.68 H new ATOM 0 HB2 PRO A 57 -7.726 7.212 11.328 1.00 0.76 H new ATOM 0 HB3 PRO A 57 -6.714 6.834 12.709 1.00 0.76 H new ATOM 0 HG2 PRO A 57 -6.372 9.021 10.666 1.00 0.76 H new ATOM 0 HG3 PRO A 57 -5.846 8.991 12.338 1.00 0.76 H new ATOM 0 HD2 PRO A 57 -4.152 8.551 10.103 1.00 0.70 H new ATOM 0 HD3 PRO A 57 -3.744 8.144 11.758 1.00 0.70 H new ATOM 851 N ILE A 58 -6.729 6.826 8.667 1.00 0.65 N ATOM 852 CA ILE A 58 -7.328 6.704 7.301 1.00 0.62 C ATOM 853 C ILE A 58 -6.646 5.562 6.569 1.00 0.55 C ATOM 854 O ILE A 58 -7.267 4.772 5.892 1.00 0.52 O ATOM 855 CB ILE A 58 -7.065 8.014 6.536 1.00 0.64 C ATOM 856 CG1 ILE A 58 -8.396 8.688 6.179 1.00 0.68 C ATOM 857 CG2 ILE A 58 -6.264 7.743 5.248 1.00 0.61 C ATOM 858 CD1 ILE A 58 -9.021 9.299 7.436 1.00 0.76 C ATOM 0 H ILE A 58 -6.399 7.761 8.906 1.00 0.65 H new ATOM 0 HA ILE A 58 -8.399 6.515 7.371 1.00 0.62 H new ATOM 0 HB ILE A 58 -6.482 8.674 7.179 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -8.233 9.463 5.430 1.00 0.68 H new ATOM 0 HG13 ILE A 58 -9.077 7.959 5.740 1.00 0.68 H new ATOM 0 HG21 ILE A 58 -6.090 8.682 4.723 1.00 0.61 H new ATOM 0 HG22 ILE A 58 -5.307 7.287 5.504 1.00 0.61 H new ATOM 0 HG23 ILE A 58 -6.827 7.067 4.604 1.00 0.61 H new ATOM 0 HD11 ILE A 58 -9.966 9.776 7.177 1.00 0.76 H new ATOM 0 HD12 ILE A 58 -9.200 8.515 8.171 1.00 0.76 H new ATOM 0 HD13 ILE A 58 -8.342 10.042 7.856 1.00 0.76 H new ATOM 870 N VAL A 59 -5.358 5.513 6.676 1.00 0.52 N ATOM 871 CA VAL A 59 -4.592 4.473 5.984 1.00 0.44 C ATOM 872 C VAL A 59 -4.908 3.110 6.587 1.00 0.45 C ATOM 873 O VAL A 59 -5.091 2.150 5.869 1.00 0.42 O ATOM 874 CB VAL A 59 -3.126 4.791 6.159 1.00 0.43 C ATOM 875 CG1 VAL A 59 -2.303 3.687 5.559 1.00 0.37 C ATOM 876 CG2 VAL A 59 -2.784 6.110 5.477 1.00 0.48 C ATOM 0 H VAL A 59 -4.799 6.165 7.226 1.00 0.52 H new ATOM 0 HA VAL A 59 -4.851 4.445 4.926 1.00 0.44 H new ATOM 0 HB VAL A 59 -2.907 4.879 7.223 1.00 0.43 H new ATOM 0 HG11 VAL A 59 -1.244 3.914 5.684 1.00 0.37 H new ATOM 0 HG12 VAL A 59 -2.534 2.747 6.060 1.00 0.37 H new ATOM 0 HG13 VAL A 59 -2.532 3.598 4.497 1.00 0.37 H new ATOM 0 HG21 VAL A 59 -1.724 6.325 5.612 1.00 0.48 H new ATOM 0 HG22 VAL A 59 -3.007 6.038 4.412 1.00 0.48 H new ATOM 0 HG23 VAL A 59 -3.376 6.912 5.918 1.00 0.48 H new ATOM 886 N LYS A 60 -5.022 3.021 7.893 1.00 0.51 N ATOM 887 CA LYS A 60 -5.397 1.712 8.507 1.00 0.54 C ATOM 888 C LYS A 60 -6.724 1.262 7.865 1.00 0.54 C ATOM 889 O LYS A 60 -7.058 0.090 7.834 1.00 0.55 O ATOM 890 CB LYS A 60 -5.599 1.887 10.010 1.00 0.62 C ATOM 891 CG LYS A 60 -5.077 0.650 10.743 1.00 0.73 C ATOM 892 CD LYS A 60 -5.469 0.727 12.220 1.00 0.91 C ATOM 893 CE LYS A 60 -4.264 1.185 13.046 1.00 1.10 C ATOM 894 NZ LYS A 60 -4.376 0.649 14.433 1.00 1.73 N ATOM 0 H LYS A 60 -4.873 3.788 8.549 1.00 0.51 H new ATOM 0 HA LYS A 60 -4.613 0.973 8.341 1.00 0.54 H new ATOM 0 HB2 LYS A 60 -5.074 2.777 10.357 1.00 0.62 H new ATOM 0 HB3 LYS A 60 -6.656 2.034 10.231 1.00 0.62 H new ATOM 0 HG2 LYS A 60 -5.490 -0.253 10.293 1.00 0.73 H new ATOM 0 HG3 LYS A 60 -3.993 0.588 10.646 1.00 0.73 H new ATOM 0 HD2 LYS A 60 -6.298 1.422 12.351 1.00 0.91 H new ATOM 0 HD3 LYS A 60 -5.812 -0.248 12.567 1.00 0.91 H new ATOM 0 HE2 LYS A 60 -3.340 0.837 12.584 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -4.218 2.274 13.069 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -3.557 0.961 14.993 1.00 1.73 H new ATOM 0 HZ2 LYS A 60 -5.250 1.002 14.872 1.00 1.73 H new ATOM 0 HZ3 LYS A 60 -4.399 -0.390 14.403 1.00 1.73 H new ATOM 908 N LYS A 61 -7.440 2.210 7.297 1.00 0.54 N ATOM 909 CA LYS A 61 -8.702 1.932 6.582 1.00 0.55 C ATOM 910 C LYS A 61 -8.307 1.279 5.275 1.00 0.48 C ATOM 911 O LYS A 61 -8.768 0.222 4.933 1.00 0.48 O ATOM 912 CB LYS A 61 -9.382 3.265 6.288 1.00 0.56 C ATOM 913 CG LYS A 61 -10.881 3.154 6.541 1.00 0.61 C ATOM 914 CD LYS A 61 -11.629 4.058 5.561 1.00 0.84 C ATOM 915 CE LYS A 61 -13.115 3.687 5.555 1.00 0.87 C ATOM 916 NZ LYS A 61 -13.937 4.911 5.332 1.00 1.65 N ATOM 0 H LYS A 61 -7.179 3.196 7.309 1.00 0.54 H new ATOM 0 HA LYS A 61 -9.376 1.297 7.158 1.00 0.55 H new ATOM 0 HB2 LYS A 61 -8.956 4.046 6.917 1.00 0.56 H new ATOM 0 HB3 LYS A 61 -9.200 3.555 5.253 1.00 0.56 H new ATOM 0 HG2 LYS A 61 -11.206 2.121 6.420 1.00 0.61 H new ATOM 0 HG3 LYS A 61 -11.110 3.443 7.567 1.00 0.61 H new ATOM 0 HD2 LYS A 61 -11.505 5.103 5.847 1.00 0.84 H new ATOM 0 HD3 LYS A 61 -11.212 3.950 4.560 1.00 0.84 H new ATOM 0 HE2 LYS A 61 -13.314 2.956 4.772 1.00 0.87 H new ATOM 0 HE3 LYS A 61 -13.388 3.222 6.502 1.00 0.87 H new ATOM 0 HZ1 LYS A 61 -14.945 4.656 5.328 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -13.755 5.595 6.094 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -13.684 5.337 4.417 1.00 1.65 H new ATOM 930 N ILE A 62 -7.406 1.920 4.574 1.00 0.42 N ATOM 931 CA ILE A 62 -6.871 1.394 3.295 1.00 0.35 C ATOM 932 C ILE A 62 -6.626 -0.114 3.411 1.00 0.35 C ATOM 933 O ILE A 62 -6.908 -0.859 2.494 1.00 0.33 O ATOM 934 CB ILE A 62 -5.557 2.158 3.017 1.00 0.31 C ATOM 935 CG1 ILE A 62 -5.662 2.966 1.726 1.00 0.28 C ATOM 936 CG2 ILE A 62 -4.361 1.212 2.940 1.00 0.27 C ATOM 937 CD1 ILE A 62 -6.960 3.763 1.751 1.00 0.33 C ATOM 0 H ILE A 62 -7.010 2.818 4.852 1.00 0.42 H new ATOM 0 HA ILE A 62 -7.574 1.540 2.475 1.00 0.35 H new ATOM 0 HB ILE A 62 -5.399 2.840 3.852 1.00 0.31 H new ATOM 0 HG12 ILE A 62 -4.809 3.637 1.630 1.00 0.28 H new ATOM 0 HG13 ILE A 62 -5.643 2.302 0.862 1.00 0.28 H new ATOM 0 HG21 ILE A 62 -3.455 1.786 2.743 1.00 0.27 H new ATOM 0 HG22 ILE A 62 -4.256 0.681 3.886 1.00 0.27 H new ATOM 0 HG23 ILE A 62 -4.517 0.493 2.136 1.00 0.27 H new ATOM 0 HD11 ILE A 62 -7.047 4.345 0.834 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -7.805 3.079 1.829 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -6.957 4.436 2.609 1.00 0.33 H new ATOM 949 N ILE A 63 -6.128 -0.573 4.535 1.00 0.39 N ATOM 950 CA ILE A 63 -5.902 -2.038 4.699 1.00 0.42 C ATOM 951 C ILE A 63 -7.244 -2.730 4.817 1.00 0.48 C ATOM 952 O ILE A 63 -7.541 -3.677 4.113 1.00 0.50 O ATOM 953 CB ILE A 63 -5.143 -2.299 5.994 1.00 0.45 C ATOM 954 CG1 ILE A 63 -3.756 -1.696 5.891 1.00 0.40 C ATOM 955 CG2 ILE A 63 -5.048 -3.804 6.251 1.00 0.50 C ATOM 956 CD1 ILE A 63 -3.825 -0.254 6.349 1.00 0.41 C ATOM 0 H ILE A 63 -5.871 0.001 5.338 1.00 0.39 H new ATOM 0 HA ILE A 63 -5.338 -2.408 3.843 1.00 0.42 H new ATOM 0 HB ILE A 63 -5.675 -1.839 6.827 1.00 0.45 H new ATOM 0 HG12 ILE A 63 -3.053 -2.256 6.507 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.394 -1.751 4.864 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.504 -3.981 7.179 1.00 0.50 H new ATOM 0 HG22 ILE A 63 -6.051 -4.223 6.333 1.00 0.50 H new ATOM 0 HG23 ILE A 63 -4.521 -4.282 5.425 1.00 0.50 H new ATOM 0 HD11 ILE A 63 -2.835 0.197 6.282 1.00 0.41 H new ATOM 0 HD12 ILE A 63 -4.518 0.297 5.714 1.00 0.41 H new ATOM 0 HD13 ILE A 63 -4.171 -0.216 7.382 1.00 0.41 H new ATOM 968 N GLU A 64 -8.036 -2.266 5.741 1.00 0.54 N ATOM 969 CA GLU A 64 -9.360 -2.884 5.990 1.00 0.61 C ATOM 970 C GLU A 64 -10.258 -2.789 4.748 1.00 0.59 C ATOM 971 O GLU A 64 -10.920 -3.740 4.384 1.00 0.64 O ATOM 972 CB GLU A 64 -10.041 -2.161 7.144 1.00 0.68 C ATOM 973 CG GLU A 64 -9.701 -2.859 8.462 1.00 0.86 C ATOM 974 CD GLU A 64 -10.627 -2.346 9.568 1.00 1.34 C ATOM 975 OE1 GLU A 64 -10.332 -1.299 10.122 1.00 1.94 O ATOM 976 OE2 GLU A 64 -11.615 -3.008 9.841 1.00 1.97 O ATOM 0 H GLU A 64 -7.815 -1.472 6.342 1.00 0.54 H new ATOM 0 HA GLU A 64 -9.207 -3.936 6.231 1.00 0.61 H new ATOM 0 HB2 GLU A 64 -9.715 -1.121 7.177 1.00 0.68 H new ATOM 0 HB3 GLU A 64 -11.121 -2.152 6.994 1.00 0.68 H new ATOM 0 HG2 GLU A 64 -9.811 -3.938 8.353 1.00 0.86 H new ATOM 0 HG3 GLU A 64 -8.661 -2.670 8.728 1.00 0.86 H new ATOM 983 N LYS A 65 -10.294 -1.644 4.106 1.00 0.53 N ATOM 984 CA LYS A 65 -11.154 -1.480 2.899 1.00 0.52 C ATOM 985 C LYS A 65 -10.612 -2.359 1.781 1.00 0.49 C ATOM 986 O LYS A 65 -11.354 -3.086 1.147 1.00 0.52 O ATOM 987 CB LYS A 65 -11.167 -0.006 2.468 1.00 0.48 C ATOM 988 CG LYS A 65 -11.849 0.134 1.104 1.00 1.15 C ATOM 989 CD LYS A 65 -12.075 1.616 0.791 1.00 1.51 C ATOM 990 CE LYS A 65 -13.469 2.034 1.266 1.00 2.05 C ATOM 991 NZ LYS A 65 -13.833 3.345 0.654 1.00 2.49 N ATOM 0 H LYS A 65 -9.761 -0.816 4.371 1.00 0.53 H new ATOM 0 HA LYS A 65 -12.177 -1.781 3.127 1.00 0.52 H new ATOM 0 HB2 LYS A 65 -11.693 0.594 3.210 1.00 0.48 H new ATOM 0 HB3 LYS A 65 -10.147 0.375 2.415 1.00 0.48 H new ATOM 0 HG2 LYS A 65 -11.232 -0.321 0.329 1.00 1.15 H new ATOM 0 HG3 LYS A 65 -12.801 -0.397 1.106 1.00 1.15 H new ATOM 0 HD2 LYS A 65 -11.315 2.222 1.284 1.00 1.51 H new ATOM 0 HD3 LYS A 65 -11.977 1.791 -0.280 1.00 1.51 H new ATOM 0 HE2 LYS A 65 -14.201 1.276 0.989 1.00 2.05 H new ATOM 0 HE3 LYS A 65 -13.486 2.111 2.353 1.00 2.05 H new ATOM 0 HZ1 LYS A 65 -14.780 3.628 0.977 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 -13.140 4.066 0.940 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 -13.833 3.256 -0.382 1.00 2.49 H new ATOM 1005 N MET A 66 -9.321 -2.334 1.562 1.00 0.44 N ATOM 1006 CA MET A 66 -8.731 -3.214 0.524 1.00 0.44 C ATOM 1007 C MET A 66 -9.101 -4.661 0.883 1.00 0.52 C ATOM 1008 O MET A 66 -9.365 -5.482 0.026 1.00 0.56 O ATOM 1009 CB MET A 66 -7.215 -3.053 0.526 1.00 0.40 C ATOM 1010 CG MET A 66 -6.820 -1.888 -0.391 1.00 0.32 C ATOM 1011 SD MET A 66 -6.902 -2.436 -2.114 1.00 0.95 S ATOM 1012 CE MET A 66 -5.463 -3.533 -2.082 1.00 0.28 C ATOM 0 H MET A 66 -8.656 -1.741 2.059 1.00 0.44 H new ATOM 0 HA MET A 66 -9.108 -2.957 -0.466 1.00 0.44 H new ATOM 0 HB2 MET A 66 -6.860 -2.867 1.540 1.00 0.40 H new ATOM 0 HB3 MET A 66 -6.741 -3.974 0.186 1.00 0.40 H new ATOM 0 HG2 MET A 66 -7.489 -1.042 -0.233 1.00 0.32 H new ATOM 0 HG3 MET A 66 -5.813 -1.547 -0.153 1.00 0.32 H new ATOM 0 HE1 MET A 66 -5.080 -3.661 -3.095 1.00 0.28 H new ATOM 0 HE2 MET A 66 -4.687 -3.097 -1.453 1.00 0.28 H new ATOM 0 HE3 MET A 66 -5.754 -4.503 -1.679 1.00 0.28 H new ATOM 1022 N LEU A 67 -9.146 -4.948 2.167 1.00 0.56 N ATOM 1023 CA LEU A 67 -9.524 -6.298 2.654 1.00 0.65 C ATOM 1024 C LEU A 67 -11.013 -6.551 2.384 1.00 0.70 C ATOM 1025 O LEU A 67 -11.419 -7.668 2.127 1.00 0.77 O ATOM 1026 CB LEU A 67 -9.291 -6.365 4.159 1.00 0.68 C ATOM 1027 CG LEU A 67 -7.925 -6.975 4.441 1.00 0.68 C ATOM 1028 CD1 LEU A 67 -7.273 -6.194 5.573 1.00 0.65 C ATOM 1029 CD2 LEU A 67 -8.089 -8.441 4.850 1.00 0.79 C ATOM 0 H LEU A 67 -8.930 -4.280 2.907 1.00 0.56 H new ATOM 0 HA LEU A 67 -8.923 -7.047 2.138 1.00 0.65 H new ATOM 0 HB2 LEU A 67 -9.350 -5.366 4.590 1.00 0.68 H new ATOM 0 HB3 LEU A 67 -10.071 -6.962 4.631 1.00 0.68 H new ATOM 0 HG LEU A 67 -7.302 -6.928 3.548 1.00 0.68 H new ATOM 0 HD11 LEU A 67 -6.292 -6.617 5.789 1.00 0.65 H new ATOM 0 HD12 LEU A 67 -7.161 -5.151 5.278 1.00 0.65 H new ATOM 0 HD13 LEU A 67 -7.898 -6.254 6.464 1.00 0.65 H new ATOM 0 HD21 LEU A 67 -7.109 -8.874 5.051 1.00 0.79 H new ATOM 0 HD22 LEU A 67 -8.704 -8.502 5.748 1.00 0.79 H new ATOM 0 HD23 LEU A 67 -8.571 -8.992 4.043 1.00 0.79 H new ATOM 1041 N ASN A 68 -11.835 -5.520 2.468 1.00 0.70 N ATOM 1042 CA ASN A 68 -13.311 -5.722 2.240 1.00 0.78 C ATOM 1043 C ASN A 68 -13.586 -5.995 0.740 1.00 1.26 C ATOM 1044 O ASN A 68 -13.450 -7.121 0.298 1.00 1.89 O ATOM 1045 CB ASN A 68 -14.126 -4.512 2.771 1.00 1.03 C ATOM 1046 CG ASN A 68 -15.618 -4.730 2.491 1.00 1.69 C ATOM 1047 OD1 ASN A 68 -16.125 -5.821 2.655 1.00 2.23 O ATOM 1048 ND2 ASN A 68 -16.349 -3.731 2.076 1.00 2.37 N ATOM 0 H ASN A 68 -11.553 -4.563 2.681 1.00 0.70 H new ATOM 0 HA ASN A 68 -13.639 -6.596 2.803 1.00 0.78 H new ATOM 0 HB2 ASN A 68 -13.961 -4.392 3.842 1.00 1.03 H new ATOM 0 HB3 ASN A 68 -13.787 -3.594 2.291 1.00 1.03 H new ATOM 0 HD21 ASN A 68 -17.343 -3.868 1.891 1.00 2.37 H new ATOM 0 HD22 ASN A 68 -15.927 -2.813 1.937 1.00 2.37 H new ATOM 1055 N SER A 69 -13.966 -5.002 -0.045 1.00 1.92 N ATOM 1056 CA SER A 69 -14.240 -5.236 -1.500 1.00 2.70 C ATOM 1057 C SER A 69 -15.316 -6.323 -1.672 1.00 3.28 C ATOM 1058 O SER A 69 -15.032 -7.431 -2.093 1.00 3.77 O ATOM 1059 CB SER A 69 -12.946 -5.665 -2.201 1.00 3.16 C ATOM 1060 OG SER A 69 -13.042 -5.365 -3.588 1.00 3.69 O ATOM 0 H SER A 69 -14.097 -4.039 0.266 1.00 1.92 H new ATOM 0 HA SER A 69 -14.605 -4.312 -1.947 1.00 2.70 H new ATOM 0 HB2 SER A 69 -12.093 -5.147 -1.763 1.00 3.16 H new ATOM 0 HB3 SER A 69 -12.778 -6.733 -2.059 1.00 3.16 H new ATOM 0 HG SER A 69 -12.216 -5.637 -4.039 1.00 3.69 H new ATOM 1066 N ASP A 70 -16.551 -6.011 -1.354 1.00 3.68 N ATOM 1067 CA ASP A 70 -17.647 -7.020 -1.506 1.00 4.62 C ATOM 1068 C ASP A 70 -18.375 -6.800 -2.840 1.00 5.11 C ATOM 1069 O ASP A 70 -17.982 -5.975 -3.645 1.00 5.32 O ATOM 1070 CB ASP A 70 -18.652 -6.882 -0.350 1.00 5.28 C ATOM 1071 CG ASP A 70 -18.087 -7.501 0.940 1.00 5.64 C ATOM 1072 OD1 ASP A 70 -17.177 -8.315 0.854 1.00 6.03 O ATOM 1073 OD2 ASP A 70 -18.587 -7.155 1.997 1.00 5.88 O ATOM 0 H ASP A 70 -16.846 -5.103 -0.996 1.00 3.68 H new ATOM 0 HA ASP A 70 -17.211 -8.019 -1.489 1.00 4.62 H new ATOM 0 HB2 ASP A 70 -18.880 -5.829 -0.184 1.00 5.28 H new ATOM 0 HB3 ASP A 70 -19.588 -7.373 -0.615 1.00 5.28 H new ATOM 1078 N LYS A 71 -19.431 -7.543 -3.077 1.00 5.62 N ATOM 1079 CA LYS A 71 -20.196 -7.396 -4.358 1.00 6.34 C ATOM 1080 C LYS A 71 -20.864 -6.012 -4.428 1.00 6.44 C ATOM 1081 O LYS A 71 -20.901 -5.395 -5.476 1.00 7.01 O ATOM 1082 CB LYS A 71 -21.263 -8.501 -4.472 1.00 6.70 C ATOM 1083 CG LYS A 71 -21.990 -8.703 -3.136 1.00 7.34 C ATOM 1084 CD LYS A 71 -21.816 -10.150 -2.664 1.00 8.00 C ATOM 1085 CE LYS A 71 -21.318 -10.170 -1.214 1.00 8.44 C ATOM 1086 NZ LYS A 71 -22.366 -10.754 -0.327 1.00 9.22 N ATOM 0 H LYS A 71 -19.797 -8.247 -2.436 1.00 5.62 H new ATOM 0 HA LYS A 71 -19.498 -7.491 -5.190 1.00 6.34 H new ATOM 0 HB2 LYS A 71 -21.984 -8.237 -5.246 1.00 6.70 H new ATOM 0 HB3 LYS A 71 -20.793 -9.435 -4.779 1.00 6.70 H new ATOM 0 HG2 LYS A 71 -21.593 -8.017 -2.388 1.00 7.34 H new ATOM 0 HG3 LYS A 71 -23.049 -8.473 -3.250 1.00 7.34 H new ATOM 0 HD2 LYS A 71 -22.764 -10.683 -2.739 1.00 8.00 H new ATOM 0 HD3 LYS A 71 -21.107 -10.669 -3.308 1.00 8.00 H new ATOM 0 HE2 LYS A 71 -20.401 -10.755 -1.143 1.00 8.44 H new ATOM 0 HE3 LYS A 71 -21.076 -9.158 -0.889 1.00 8.44 H new ATOM 0 HZ1 LYS A 71 -22.023 -10.765 0.655 1.00 9.22 H new ATOM 0 HZ2 LYS A 71 -23.230 -10.179 -0.385 1.00 9.22 H new ATOM 0 HZ3 LYS A 71 -22.576 -11.726 -0.631 1.00 9.22 H new ATOM 1100 N SER A 72 -21.380 -5.520 -3.321 1.00 6.23 N ATOM 1101 CA SER A 72 -22.040 -4.169 -3.307 1.00 6.76 C ATOM 1102 C SER A 72 -23.267 -4.150 -4.245 1.00 7.32 C ATOM 1103 O SER A 72 -23.782 -5.215 -4.551 1.00 7.68 O ATOM 1104 CB SER A 72 -21.023 -3.104 -3.745 1.00 6.72 C ATOM 1105 OG SER A 72 -21.323 -1.874 -3.097 1.00 7.09 O ATOM 1106 OXT SER A 72 -23.683 -3.067 -4.630 1.00 7.67 O ATOM 0 H SER A 72 -21.372 -6.000 -2.421 1.00 6.23 H new ATOM 0 HA SER A 72 -22.384 -3.953 -2.296 1.00 6.76 H new ATOM 0 HB2 SER A 72 -20.012 -3.424 -3.493 1.00 6.72 H new ATOM 0 HB3 SER A 72 -21.056 -2.976 -4.827 1.00 6.72 H new ATOM 0 HG SER A 72 -20.675 -1.192 -3.373 1.00 7.09 H new TER 1112 SER A 72 ATOM 1113 N ALA B 1 -5.486 -32.731 -9.272 1.00 12.52 N ATOM 1114 CA ALA B 1 -5.872 -31.328 -9.605 1.00 11.93 C ATOM 1115 C ALA B 1 -7.357 -31.282 -9.989 1.00 11.07 C ATOM 1116 O ALA B 1 -7.765 -31.837 -10.994 1.00 11.12 O ATOM 1117 CB ALA B 1 -5.022 -30.823 -10.776 1.00 12.13 C ATOM 0 H1 ALA B 1 -4.480 -32.762 -9.012 1.00 12.52 H new ATOM 0 H2 ALA B 1 -6.060 -33.069 -8.474 1.00 12.52 H new ATOM 0 H3 ALA B 1 -5.649 -33.341 -10.098 1.00 12.52 H new ATOM 0 HA ALA B 1 -5.702 -30.691 -8.737 1.00 11.93 H new ATOM 0 HB1 ALA B 1 -5.306 -29.799 -11.017 1.00 12.13 H new ATOM 0 HB2 ALA B 1 -3.968 -30.852 -10.500 1.00 12.13 H new ATOM 0 HB3 ALA B 1 -5.186 -31.459 -11.646 1.00 12.13 H new ATOM 1125 N SER B 2 -8.165 -30.623 -9.193 1.00 10.46 N ATOM 1126 CA SER B 2 -9.626 -30.534 -9.501 1.00 9.76 C ATOM 1127 C SER B 2 -9.902 -29.284 -10.346 1.00 8.76 C ATOM 1128 O SER B 2 -9.123 -28.348 -10.358 1.00 8.71 O ATOM 1129 CB SER B 2 -10.424 -30.457 -8.195 1.00 10.06 C ATOM 1130 OG SER B 2 -9.931 -29.386 -7.398 1.00 10.73 O ATOM 0 H SER B 2 -7.874 -30.142 -8.342 1.00 10.46 H new ATOM 0 HA SER B 2 -9.930 -31.420 -10.059 1.00 9.76 H new ATOM 0 HB2 SER B 2 -11.482 -30.306 -8.411 1.00 10.06 H new ATOM 0 HB3 SER B 2 -10.341 -31.397 -7.650 1.00 10.06 H new ATOM 0 HG SER B 2 -10.443 -29.336 -6.564 1.00 10.73 H new ATOM 1136 N VAL B 3 -11.008 -29.263 -11.050 1.00 8.19 N ATOM 1137 CA VAL B 3 -11.343 -28.076 -11.896 1.00 7.39 C ATOM 1138 C VAL B 3 -11.981 -26.994 -11.013 1.00 6.52 C ATOM 1139 O VAL B 3 -13.184 -26.964 -10.820 1.00 6.63 O ATOM 1140 CB VAL B 3 -12.318 -28.490 -13.010 1.00 7.63 C ATOM 1141 CG1 VAL B 3 -12.568 -27.302 -13.945 1.00 7.50 C ATOM 1142 CG2 VAL B 3 -11.717 -29.648 -13.816 1.00 8.25 C ATOM 0 H VAL B 3 -11.694 -30.018 -11.075 1.00 8.19 H new ATOM 0 HA VAL B 3 -10.435 -27.682 -12.353 1.00 7.39 H new ATOM 0 HB VAL B 3 -13.260 -28.806 -12.561 1.00 7.63 H new ATOM 0 HG11 VAL B 3 -13.260 -27.599 -14.734 1.00 7.50 H new ATOM 0 HG12 VAL B 3 -12.998 -26.476 -13.377 1.00 7.50 H new ATOM 0 HG13 VAL B 3 -11.625 -26.984 -14.390 1.00 7.50 H new ATOM 0 HG21 VAL B 3 -12.410 -29.940 -14.605 1.00 8.25 H new ATOM 0 HG22 VAL B 3 -10.774 -29.331 -14.260 1.00 8.25 H new ATOM 0 HG23 VAL B 3 -11.540 -30.497 -13.156 1.00 8.25 H new ATOM 1152 N ALA B 4 -11.177 -26.109 -10.473 1.00 5.97 N ATOM 1153 CA ALA B 4 -11.720 -25.025 -9.597 1.00 5.38 C ATOM 1154 C ALA B 4 -11.702 -23.689 -10.352 1.00 4.55 C ATOM 1155 O ALA B 4 -11.165 -23.587 -11.441 1.00 4.55 O ATOM 1156 CB ALA B 4 -10.859 -24.914 -8.334 1.00 5.77 C ATOM 0 H ALA B 4 -10.165 -26.092 -10.602 1.00 5.97 H new ATOM 0 HA ALA B 4 -12.746 -25.264 -9.319 1.00 5.38 H new ATOM 0 HB1 ALA B 4 -11.252 -24.125 -7.694 1.00 5.77 H new ATOM 0 HB2 ALA B 4 -10.879 -25.862 -7.796 1.00 5.77 H new ATOM 0 HB3 ALA B 4 -9.832 -24.677 -8.613 1.00 5.77 H new ATOM 1162 N THR B 5 -12.287 -22.663 -9.780 1.00 4.21 N ATOM 1163 CA THR B 5 -12.312 -21.329 -10.457 1.00 3.63 C ATOM 1164 C THR B 5 -11.169 -20.454 -9.922 1.00 3.34 C ATOM 1165 O THR B 5 -11.386 -19.358 -9.438 1.00 3.84 O ATOM 1166 CB THR B 5 -13.662 -20.641 -10.196 1.00 3.98 C ATOM 1167 OG1 THR B 5 -14.067 -20.871 -8.852 1.00 4.53 O ATOM 1168 CG2 THR B 5 -14.715 -21.201 -11.153 1.00 4.44 C ATOM 0 H THR B 5 -12.749 -22.693 -8.871 1.00 4.21 H new ATOM 0 HA THR B 5 -12.183 -21.468 -11.530 1.00 3.63 H new ATOM 0 HB THR B 5 -13.557 -19.569 -10.360 1.00 3.98 H new ATOM 0 HG1 THR B 5 -14.927 -20.430 -8.689 1.00 4.53 H new ATOM 0 HG21 THR B 5 -15.672 -20.713 -10.967 1.00 4.44 H new ATOM 0 HG22 THR B 5 -14.407 -21.016 -12.182 1.00 4.44 H new ATOM 0 HG23 THR B 5 -14.818 -22.274 -10.993 1.00 4.44 H new ATOM 1176 N GLU B 6 -9.950 -20.928 -10.016 1.00 2.88 N ATOM 1177 CA GLU B 6 -8.785 -20.127 -9.527 1.00 2.76 C ATOM 1178 C GLU B 6 -7.484 -20.734 -10.069 1.00 2.41 C ATOM 1179 O GLU B 6 -6.898 -21.616 -9.468 1.00 2.74 O ATOM 1180 CB GLU B 6 -8.757 -20.106 -7.988 1.00 3.32 C ATOM 1181 CG GLU B 6 -8.988 -21.517 -7.424 1.00 3.90 C ATOM 1182 CD GLU B 6 -7.912 -21.837 -6.379 1.00 4.56 C ATOM 1183 OE1 GLU B 6 -8.052 -21.383 -5.255 1.00 4.90 O ATOM 1184 OE2 GLU B 6 -6.968 -22.530 -6.721 1.00 5.02 O ATOM 0 H GLU B 6 -9.712 -21.838 -10.411 1.00 2.88 H new ATOM 0 HA GLU B 6 -8.882 -19.102 -9.884 1.00 2.76 H new ATOM 0 HB2 GLU B 6 -7.797 -19.722 -7.641 1.00 3.32 H new ATOM 0 HB3 GLU B 6 -9.525 -19.429 -7.614 1.00 3.32 H new ATOM 0 HG2 GLU B 6 -9.978 -21.581 -6.973 1.00 3.90 H new ATOM 0 HG3 GLU B 6 -8.957 -22.251 -8.229 1.00 3.90 H new ATOM 1191 N LEU B 7 -7.025 -20.258 -11.203 1.00 2.05 N ATOM 1192 CA LEU B 7 -5.764 -20.784 -11.793 1.00 2.09 C ATOM 1193 C LEU B 7 -4.717 -19.688 -11.687 1.00 1.85 C ATOM 1194 O LEU B 7 -3.643 -19.874 -11.149 1.00 1.98 O ATOM 1195 CB LEU B 7 -5.933 -21.135 -13.281 1.00 2.42 C ATOM 1196 CG LEU B 7 -7.375 -21.519 -13.641 1.00 2.59 C ATOM 1197 CD1 LEU B 7 -7.992 -22.420 -12.568 1.00 2.68 C ATOM 1198 CD2 LEU B 7 -8.193 -20.246 -13.774 1.00 2.47 C ATOM 0 H LEU B 7 -7.478 -19.522 -11.745 1.00 2.05 H new ATOM 0 HA LEU B 7 -5.477 -21.689 -11.257 1.00 2.09 H new ATOM 0 HB2 LEU B 7 -5.626 -20.283 -13.888 1.00 2.42 H new ATOM 0 HB3 LEU B 7 -5.268 -21.961 -13.533 1.00 2.42 H new ATOM 0 HG LEU B 7 -7.373 -22.072 -14.580 1.00 2.59 H new ATOM 0 HD11 LEU B 7 -9.013 -22.675 -12.851 1.00 2.68 H new ATOM 0 HD12 LEU B 7 -7.402 -23.332 -12.476 1.00 2.68 H new ATOM 0 HD13 LEU B 7 -8.000 -21.895 -11.613 1.00 2.68 H new ATOM 0 HD21 LEU B 7 -9.222 -20.500 -14.030 1.00 2.47 H new ATOM 0 HD22 LEU B 7 -8.177 -19.703 -12.829 1.00 2.47 H new ATOM 0 HD23 LEU B 7 -7.768 -19.620 -14.559 1.00 2.47 H new ATOM 1210 N ARG B 8 -5.058 -18.541 -12.215 1.00 1.82 N ATOM 1211 CA ARG B 8 -4.155 -17.357 -12.194 1.00 1.89 C ATOM 1212 C ARG B 8 -3.554 -17.169 -10.797 1.00 1.54 C ATOM 1213 O ARG B 8 -2.357 -17.020 -10.640 1.00 1.69 O ATOM 1214 CB ARG B 8 -4.978 -16.121 -12.550 1.00 2.07 C ATOM 1215 CG ARG B 8 -4.632 -15.659 -13.971 1.00 2.60 C ATOM 1216 CD ARG B 8 -3.498 -14.632 -13.915 1.00 2.98 C ATOM 1217 NE ARG B 8 -3.400 -13.920 -15.224 1.00 3.51 N ATOM 1218 CZ ARG B 8 -2.433 -13.066 -15.434 1.00 3.98 C ATOM 1219 NH1 ARG B 8 -2.578 -11.814 -15.080 1.00 4.45 N ATOM 1220 NH2 ARG B 8 -1.322 -13.463 -16.001 1.00 4.43 N ATOM 0 H ARG B 8 -5.954 -18.374 -12.673 1.00 1.82 H new ATOM 0 HA ARG B 8 -3.345 -17.504 -12.908 1.00 1.89 H new ATOM 0 HB2 ARG B 8 -6.042 -16.349 -12.480 1.00 2.07 H new ATOM 0 HB3 ARG B 8 -4.776 -15.321 -11.838 1.00 2.07 H new ATOM 0 HG2 ARG B 8 -4.333 -16.513 -14.579 1.00 2.60 H new ATOM 0 HG3 ARG B 8 -5.510 -15.221 -14.446 1.00 2.60 H new ATOM 0 HD2 ARG B 8 -3.681 -13.916 -13.113 1.00 2.98 H new ATOM 0 HD3 ARG B 8 -2.555 -15.129 -13.689 1.00 2.98 H new ATOM 0 HE ARG B 8 -4.088 -14.100 -15.955 1.00 3.51 H new ATOM 0 HH11 ARG B 8 -3.445 -11.505 -14.641 1.00 4.45 H new ATOM 0 HH12 ARG B 8 -1.824 -11.147 -15.244 1.00 4.45 H new ATOM 0 HH21 ARG B 8 -1.211 -14.438 -16.279 1.00 4.43 H new ATOM 0 HH22 ARG B 8 -0.567 -12.797 -16.165 1.00 4.43 H new ATOM 1234 N CYS B 9 -4.392 -17.163 -9.789 1.00 1.21 N ATOM 1235 CA CYS B 9 -3.912 -16.976 -8.385 1.00 0.95 C ATOM 1236 C CYS B 9 -2.875 -18.046 -8.012 1.00 0.67 C ATOM 1237 O CYS B 9 -2.757 -19.074 -8.655 1.00 0.74 O ATOM 1238 CB CYS B 9 -5.092 -17.090 -7.418 1.00 1.02 C ATOM 1239 SG CYS B 9 -6.421 -15.971 -7.915 1.00 1.57 S ATOM 0 H CYS B 9 -5.401 -17.281 -9.881 1.00 1.21 H new ATOM 0 HA CYS B 9 -3.453 -15.990 -8.315 1.00 0.95 H new ATOM 0 HB2 CYS B 9 -5.459 -18.116 -7.401 1.00 1.02 H new ATOM 0 HB3 CYS B 9 -4.766 -16.851 -6.406 1.00 1.02 H new ATOM 0 HG CYS B 9 -7.415 -16.082 -7.085 1.00 1.57 H new ATOM 1244 N GLN B 10 -2.132 -17.805 -6.962 1.00 0.59 N ATOM 1245 CA GLN B 10 -1.099 -18.787 -6.511 1.00 0.62 C ATOM 1246 C GLN B 10 -1.556 -19.495 -5.219 1.00 0.58 C ATOM 1247 O GLN B 10 -0.974 -20.485 -4.823 1.00 0.76 O ATOM 1248 CB GLN B 10 0.206 -18.042 -6.240 1.00 0.91 C ATOM 1249 CG GLN B 10 1.210 -18.337 -7.360 1.00 1.07 C ATOM 1250 CD GLN B 10 2.626 -18.408 -6.785 1.00 1.99 C ATOM 1251 OE1 GLN B 10 3.064 -17.502 -6.103 1.00 2.50 O ATOM 1252 NE2 GLN B 10 3.367 -19.452 -7.039 1.00 2.75 N ATOM 0 H GLN B 10 -2.197 -16.962 -6.392 1.00 0.59 H new ATOM 0 HA GLN B 10 -0.954 -19.536 -7.290 1.00 0.62 H new ATOM 0 HB2 GLN B 10 0.018 -16.970 -6.179 1.00 0.91 H new ATOM 0 HB3 GLN B 10 0.618 -18.348 -5.279 1.00 0.91 H new ATOM 0 HG2 GLN B 10 0.958 -19.279 -7.847 1.00 1.07 H new ATOM 0 HG3 GLN B 10 1.156 -17.560 -8.122 1.00 1.07 H new ATOM 0 HE21 GLN B 10 2.999 -20.212 -7.611 1.00 2.75 H new ATOM 0 HE22 GLN B 10 4.314 -19.508 -6.665 1.00 2.75 H new ATOM 1261 N CYS B 11 -2.578 -18.969 -4.567 1.00 0.48 N ATOM 1262 CA CYS B 11 -3.122 -19.551 -3.280 1.00 0.42 C ATOM 1263 C CYS B 11 -2.836 -21.055 -3.155 1.00 0.48 C ATOM 1264 O CYS B 11 -3.134 -21.829 -4.048 1.00 0.58 O ATOM 1265 CB CYS B 11 -4.653 -19.369 -3.215 1.00 0.39 C ATOM 1266 SG CYS B 11 -5.281 -18.549 -4.705 1.00 0.49 S ATOM 0 H CYS B 11 -3.073 -18.135 -4.883 1.00 0.48 H new ATOM 0 HA CYS B 11 -2.624 -19.019 -2.469 1.00 0.42 H new ATOM 0 HB2 CYS B 11 -5.133 -20.341 -3.102 1.00 0.39 H new ATOM 0 HB3 CYS B 11 -4.915 -18.781 -2.336 1.00 0.39 H new ATOM 0 HG CYS B 11 -5.222 -17.260 -4.549 1.00 0.49 H new ATOM 1271 N LEU B 12 -2.309 -21.478 -2.026 1.00 0.45 N ATOM 1272 CA LEU B 12 -2.055 -22.938 -1.815 1.00 0.52 C ATOM 1273 C LEU B 12 -3.424 -23.601 -1.632 1.00 0.52 C ATOM 1274 O LEU B 12 -3.888 -24.355 -2.464 1.00 0.59 O ATOM 1275 CB LEU B 12 -1.202 -23.175 -0.545 1.00 0.52 C ATOM 1276 CG LEU B 12 -0.120 -22.099 -0.382 1.00 0.89 C ATOM 1277 CD1 LEU B 12 0.629 -22.341 0.929 1.00 1.33 C ATOM 1278 CD2 LEU B 12 0.871 -22.170 -1.544 1.00 1.29 C ATOM 0 H LEU B 12 -2.046 -20.876 -1.246 1.00 0.45 H new ATOM 0 HA LEU B 12 -1.511 -23.352 -2.664 1.00 0.52 H new ATOM 0 HB2 LEU B 12 -1.848 -23.178 0.333 1.00 0.52 H new ATOM 0 HB3 LEU B 12 -0.733 -24.158 -0.599 1.00 0.52 H new ATOM 0 HG LEU B 12 -0.590 -21.116 -0.372 1.00 0.89 H new ATOM 0 HD11 LEU B 12 1.400 -21.581 1.053 1.00 1.33 H new ATOM 0 HD12 LEU B 12 -0.071 -22.288 1.763 1.00 1.33 H new ATOM 0 HD13 LEU B 12 1.092 -23.327 0.907 1.00 1.33 H new ATOM 0 HD21 LEU B 12 1.634 -21.402 -1.418 1.00 1.29 H new ATOM 0 HD22 LEU B 12 1.343 -23.152 -1.560 1.00 1.29 H new ATOM 0 HD23 LEU B 12 0.343 -22.006 -2.483 1.00 1.29 H new ATOM 1290 N GLN B 13 -4.069 -23.276 -0.542 1.00 0.46 N ATOM 1291 CA GLN B 13 -5.422 -23.802 -0.219 1.00 0.49 C ATOM 1292 C GLN B 13 -5.922 -23.034 1.016 1.00 0.45 C ATOM 1293 O GLN B 13 -6.460 -23.606 1.942 1.00 0.49 O ATOM 1294 CB GLN B 13 -5.324 -25.296 0.088 1.00 0.57 C ATOM 1295 CG GLN B 13 -5.784 -26.111 -1.127 1.00 1.29 C ATOM 1296 CD GLN B 13 -6.433 -27.418 -0.660 1.00 1.75 C ATOM 1297 OE1 GLN B 13 -7.640 -27.504 -0.552 1.00 2.16 O ATOM 1298 NE2 GLN B 13 -5.679 -28.447 -0.380 1.00 2.35 N ATOM 0 H GLN B 13 -3.694 -22.641 0.163 1.00 0.46 H new ATOM 0 HA GLN B 13 -6.110 -23.670 -1.054 1.00 0.49 H new ATOM 0 HB2 GLN B 13 -4.297 -25.557 0.344 1.00 0.57 H new ATOM 0 HB3 GLN B 13 -5.940 -25.539 0.954 1.00 0.57 H new ATOM 0 HG2 GLN B 13 -6.495 -25.532 -1.717 1.00 1.29 H new ATOM 0 HG3 GLN B 13 -4.934 -26.327 -1.774 1.00 1.29 H new ATOM 0 HE21 GLN B 13 -4.665 -28.376 -0.470 1.00 2.35 H new ATOM 0 HE22 GLN B 13 -6.104 -29.321 -0.071 1.00 2.35 H new ATOM 1307 N THR B 14 -5.689 -21.734 1.015 1.00 0.38 N ATOM 1308 CA THR B 14 -6.053 -20.823 2.154 1.00 0.35 C ATOM 1309 C THR B 14 -6.026 -21.526 3.509 1.00 0.39 C ATOM 1310 O THR B 14 -6.988 -22.142 3.935 1.00 0.44 O ATOM 1311 CB THR B 14 -7.405 -20.160 1.973 1.00 0.36 C ATOM 1312 OG1 THR B 14 -8.375 -21.113 1.551 1.00 0.43 O ATOM 1313 CG2 THR B 14 -7.280 -19.040 0.946 1.00 0.34 C ATOM 0 H THR B 14 -5.242 -21.251 0.236 1.00 0.38 H new ATOM 0 HA THR B 14 -5.281 -20.054 2.141 1.00 0.35 H new ATOM 0 HB THR B 14 -7.732 -19.743 2.926 1.00 0.36 H new ATOM 0 HG1 THR B 14 -9.082 -21.181 2.226 1.00 0.43 H new ATOM 0 HG21 THR B 14 -8.249 -18.560 0.812 1.00 0.34 H new ATOM 0 HG22 THR B 14 -6.556 -18.304 1.296 1.00 0.34 H new ATOM 0 HG23 THR B 14 -6.945 -19.454 -0.005 1.00 0.34 H new ATOM 1321 N LEU B 15 -4.938 -21.387 4.205 1.00 0.36 N ATOM 1322 CA LEU B 15 -4.823 -21.996 5.563 1.00 0.40 C ATOM 1323 C LEU B 15 -5.647 -21.160 6.551 1.00 0.41 C ATOM 1324 O LEU B 15 -6.007 -20.031 6.271 1.00 0.47 O ATOM 1325 CB LEU B 15 -3.354 -22.025 5.999 1.00 0.38 C ATOM 1326 CG LEU B 15 -2.586 -23.032 5.137 1.00 0.41 C ATOM 1327 CD1 LEU B 15 -1.213 -22.460 4.775 1.00 0.98 C ATOM 1328 CD2 LEU B 15 -2.407 -24.339 5.916 1.00 0.92 C ATOM 0 H LEU B 15 -4.114 -20.874 3.893 1.00 0.36 H new ATOM 0 HA LEU B 15 -5.200 -23.019 5.543 1.00 0.40 H new ATOM 0 HB2 LEU B 15 -2.914 -21.033 5.898 1.00 0.38 H new ATOM 0 HB3 LEU B 15 -3.281 -22.300 7.051 1.00 0.38 H new ATOM 0 HG LEU B 15 -3.147 -23.227 4.223 1.00 0.41 H new ATOM 0 HD11 LEU B 15 -0.669 -23.179 4.162 1.00 0.98 H new ATOM 0 HD12 LEU B 15 -1.341 -21.532 4.218 1.00 0.98 H new ATOM 0 HD13 LEU B 15 -0.650 -22.262 5.687 1.00 0.98 H new ATOM 0 HD21 LEU B 15 -1.861 -25.056 5.303 1.00 0.92 H new ATOM 0 HD22 LEU B 15 -1.848 -24.144 6.831 1.00 0.92 H new ATOM 0 HD23 LEU B 15 -3.385 -24.749 6.169 1.00 0.92 H new ATOM 1340 N GLN B 16 -5.959 -21.707 7.695 1.00 0.43 N ATOM 1341 CA GLN B 16 -6.774 -20.952 8.689 1.00 0.45 C ATOM 1342 C GLN B 16 -5.871 -20.325 9.748 1.00 0.43 C ATOM 1343 O GLN B 16 -5.861 -20.724 10.898 1.00 0.47 O ATOM 1344 CB GLN B 16 -7.793 -21.893 9.347 1.00 0.52 C ATOM 1345 CG GLN B 16 -9.142 -21.764 8.635 1.00 0.61 C ATOM 1346 CD GLN B 16 -10.126 -22.787 9.209 1.00 1.05 C ATOM 1347 OE1 GLN B 16 -10.591 -22.641 10.322 1.00 1.78 O ATOM 1348 NE2 GLN B 16 -10.469 -23.824 8.492 1.00 1.60 N ATOM 0 H GLN B 16 -5.684 -22.646 7.984 1.00 0.43 H new ATOM 0 HA GLN B 16 -7.309 -20.153 8.175 1.00 0.45 H new ATOM 0 HB2 GLN B 16 -7.439 -22.923 9.295 1.00 0.52 H new ATOM 0 HB3 GLN B 16 -7.902 -21.647 10.403 1.00 0.52 H new ATOM 0 HG2 GLN B 16 -9.536 -20.755 8.761 1.00 0.61 H new ATOM 0 HG3 GLN B 16 -9.017 -21.926 7.564 1.00 0.61 H new ATOM 0 HE21 GLN B 16 -10.080 -23.949 7.557 1.00 1.60 H new ATOM 0 HE22 GLN B 16 -11.126 -24.509 8.867 1.00 1.60 H new ATOM 1357 N GLY B 17 -5.133 -19.322 9.356 1.00 0.38 N ATOM 1358 CA GLY B 17 -4.241 -18.605 10.308 1.00 0.38 C ATOM 1359 C GLY B 17 -3.164 -19.538 10.849 1.00 0.34 C ATOM 1360 O GLY B 17 -3.288 -20.076 11.934 1.00 0.36 O ATOM 0 H GLY B 17 -5.111 -18.965 8.401 1.00 0.38 H new ATOM 0 HA2 GLY B 17 -3.775 -17.756 9.808 1.00 0.38 H new ATOM 0 HA3 GLY B 17 -4.830 -18.205 11.133 1.00 0.38 H new ATOM 1364 N ILE B 18 -2.095 -19.707 10.118 1.00 0.32 N ATOM 1365 CA ILE B 18 -0.993 -20.578 10.608 1.00 0.32 C ATOM 1366 C ILE B 18 -0.116 -19.748 11.550 1.00 0.31 C ATOM 1367 O ILE B 18 -0.459 -18.634 11.907 1.00 0.31 O ATOM 1368 CB ILE B 18 -0.185 -21.164 9.426 1.00 0.33 C ATOM 1369 CG1 ILE B 18 0.957 -20.230 8.999 1.00 0.31 C ATOM 1370 CG2 ILE B 18 -1.107 -21.421 8.230 1.00 0.37 C ATOM 1371 CD1 ILE B 18 0.413 -18.837 8.711 1.00 0.28 C ATOM 0 H ILE B 18 -1.939 -19.280 9.205 1.00 0.32 H new ATOM 0 HA ILE B 18 -1.397 -21.431 11.153 1.00 0.32 H new ATOM 0 HB ILE B 18 0.252 -22.104 9.764 1.00 0.33 H new ATOM 0 HG12 ILE B 18 1.710 -20.180 9.786 1.00 0.31 H new ATOM 0 HG13 ILE B 18 1.450 -20.627 8.112 1.00 0.31 H new ATOM 0 HG21 ILE B 18 -0.526 -21.833 7.405 1.00 0.37 H new ATOM 0 HG22 ILE B 18 -1.885 -22.129 8.516 1.00 0.37 H new ATOM 0 HG23 ILE B 18 -1.567 -20.484 7.917 1.00 0.37 H new ATOM 0 HD11 ILE B 18 1.231 -18.182 8.409 1.00 0.28 H new ATOM 0 HD12 ILE B 18 -0.323 -18.892 7.909 1.00 0.28 H new ATOM 0 HD13 ILE B 18 -0.059 -18.438 9.609 1.00 0.28 H new ATOM 1383 N HIS B 19 0.998 -20.270 11.968 1.00 0.33 N ATOM 1384 CA HIS B 19 1.864 -19.497 12.895 1.00 0.35 C ATOM 1385 C HIS B 19 2.938 -18.753 12.071 1.00 0.33 C ATOM 1386 O HIS B 19 3.394 -19.263 11.063 1.00 0.33 O ATOM 1387 CB HIS B 19 2.469 -20.464 13.935 1.00 0.38 C ATOM 1388 CG HIS B 19 3.970 -20.443 13.912 1.00 0.39 C ATOM 1389 ND1 HIS B 19 4.717 -20.007 14.990 1.00 0.42 N ATOM 1390 CD2 HIS B 19 4.872 -20.819 12.954 1.00 0.39 C ATOM 1391 CE1 HIS B 19 6.011 -20.129 14.658 1.00 0.44 C ATOM 1392 NE2 HIS B 19 6.164 -20.623 13.426 1.00 0.42 N ATOM 0 H HIS B 19 1.346 -21.193 11.710 1.00 0.33 H new ATOM 0 HA HIS B 19 1.294 -18.745 13.442 1.00 0.35 H new ATOM 0 HB2 HIS B 19 2.117 -20.193 14.930 1.00 0.38 H new ATOM 0 HB3 HIS B 19 2.117 -21.476 13.737 1.00 0.38 H new ATOM 0 HD1 HIS B 19 4.351 -19.657 15.876 1.00 0.42 H new ATOM 0 HD2 HIS B 19 4.618 -21.209 11.979 1.00 0.39 H new ATOM 0 HE1 HIS B 19 6.830 -19.860 15.308 1.00 0.44 H new ATOM 1400 N PRO B 20 3.291 -17.555 12.501 1.00 0.35 N ATOM 1401 CA PRO B 20 4.281 -16.724 11.796 1.00 0.36 C ATOM 1402 C PRO B 20 5.715 -17.232 12.047 1.00 0.39 C ATOM 1403 O PRO B 20 6.020 -18.356 11.698 1.00 0.39 O ATOM 1404 CB PRO B 20 4.029 -15.317 12.352 1.00 0.39 C ATOM 1405 CG PRO B 20 3.347 -15.509 13.722 1.00 0.42 C ATOM 1406 CD PRO B 20 2.736 -16.918 13.714 1.00 0.39 C ATOM 0 HA PRO B 20 4.180 -16.749 10.711 1.00 0.36 H new ATOM 0 HB2 PRO B 20 4.964 -14.767 12.457 1.00 0.39 H new ATOM 0 HB3 PRO B 20 3.394 -14.741 11.679 1.00 0.39 H new ATOM 0 HG2 PRO B 20 4.069 -15.404 14.532 1.00 0.42 H new ATOM 0 HG3 PRO B 20 2.577 -14.754 13.881 1.00 0.42 H new ATOM 0 HD2 PRO B 20 3.006 -17.473 14.613 1.00 0.39 H new ATOM 0 HD3 PRO B 20 1.647 -16.878 13.679 1.00 0.39 H new ATOM 1414 N LYS B 21 6.614 -16.416 12.584 1.00 0.42 N ATOM 1415 CA LYS B 21 8.041 -16.847 12.778 1.00 0.45 C ATOM 1416 C LYS B 21 8.718 -16.849 11.401 1.00 0.44 C ATOM 1417 O LYS B 21 9.754 -16.241 11.206 1.00 0.48 O ATOM 1418 CB LYS B 21 8.123 -18.237 13.421 1.00 0.47 C ATOM 1419 CG LYS B 21 9.524 -18.450 14.005 1.00 0.54 C ATOM 1420 CD LYS B 21 9.423 -19.189 15.343 1.00 1.21 C ATOM 1421 CE LYS B 21 9.451 -20.701 15.101 1.00 1.68 C ATOM 1422 NZ LYS B 21 10.213 -21.370 16.195 1.00 2.42 N ATOM 0 H LYS B 21 6.411 -15.466 12.895 1.00 0.42 H new ATOM 0 HA LYS B 21 8.547 -16.157 13.453 1.00 0.45 H new ATOM 0 HB2 LYS B 21 7.372 -18.331 14.206 1.00 0.47 H new ATOM 0 HB3 LYS B 21 7.906 -19.006 12.679 1.00 0.47 H new ATOM 0 HG2 LYS B 21 10.135 -19.023 13.308 1.00 0.54 H new ATOM 0 HG3 LYS B 21 10.019 -17.489 14.147 1.00 0.54 H new ATOM 0 HD2 LYS B 21 10.249 -18.900 15.993 1.00 1.21 H new ATOM 0 HD3 LYS B 21 8.502 -18.910 15.855 1.00 1.21 H new ATOM 0 HE2 LYS B 21 8.434 -21.092 15.061 1.00 1.68 H new ATOM 0 HE3 LYS B 21 9.913 -20.917 14.138 1.00 1.68 H new ATOM 0 HZ1 LYS B 21 10.231 -22.396 16.028 1.00 2.42 H new ATOM 0 HZ2 LYS B 21 11.187 -21.005 16.213 1.00 2.42 H new ATOM 0 HZ3 LYS B 21 9.754 -21.175 17.107 1.00 2.42 H new ATOM 1436 N ASN B 22 8.099 -17.485 10.437 1.00 0.41 N ATOM 1437 CA ASN B 22 8.623 -17.499 9.056 1.00 0.41 C ATOM 1438 C ASN B 22 7.862 -16.415 8.303 1.00 0.38 C ATOM 1439 O ASN B 22 8.429 -15.525 7.708 1.00 0.39 O ATOM 1440 CB ASN B 22 8.320 -18.854 8.404 1.00 0.41 C ATOM 1441 CG ASN B 22 8.445 -19.987 9.428 1.00 0.43 C ATOM 1442 OD1 ASN B 22 9.535 -20.402 9.768 1.00 0.46 O ATOM 1443 ND2 ASN B 22 7.358 -20.507 9.935 1.00 0.42 N ATOM 0 H ASN B 22 7.231 -18.005 10.564 1.00 0.41 H new ATOM 0 HA ASN B 22 9.700 -17.333 9.040 1.00 0.41 H new ATOM 0 HB2 ASN B 22 7.314 -18.845 7.985 1.00 0.41 H new ATOM 0 HB3 ASN B 22 9.008 -19.027 7.577 1.00 0.41 H new ATOM 0 HD21 ASN B 22 7.424 -21.262 10.617 1.00 0.42 H new ATOM 0 HD22 ASN B 22 6.444 -20.157 9.648 1.00 0.42 H new ATOM 1450 N ILE B 23 6.560 -16.493 8.371 1.00 0.35 N ATOM 1451 CA ILE B 23 5.670 -15.507 7.716 1.00 0.32 C ATOM 1452 C ILE B 23 6.178 -14.085 8.002 1.00 0.35 C ATOM 1453 O ILE B 23 6.083 -13.589 9.110 1.00 0.38 O ATOM 1454 CB ILE B 23 4.279 -15.729 8.318 1.00 0.30 C ATOM 1455 CG1 ILE B 23 3.547 -16.820 7.535 1.00 0.28 C ATOM 1456 CG2 ILE B 23 3.467 -14.445 8.289 1.00 0.31 C ATOM 1457 CD1 ILE B 23 4.139 -18.185 7.891 1.00 0.28 C ATOM 0 H ILE B 23 6.065 -17.230 8.874 1.00 0.35 H new ATOM 0 HA ILE B 23 5.645 -15.628 6.633 1.00 0.32 H new ATOM 0 HB ILE B 23 4.397 -16.040 9.356 1.00 0.30 H new ATOM 0 HG12 ILE B 23 2.483 -16.800 7.770 1.00 0.28 H new ATOM 0 HG13 ILE B 23 3.640 -16.639 6.464 1.00 0.28 H new ATOM 0 HG21 ILE B 23 2.483 -14.627 8.721 1.00 0.31 H new ATOM 0 HG22 ILE B 23 3.981 -13.676 8.866 1.00 0.31 H new ATOM 0 HG23 ILE B 23 3.354 -14.109 7.258 1.00 0.31 H new ATOM 0 HD11 ILE B 23 3.618 -18.964 7.334 1.00 0.28 H new ATOM 0 HD12 ILE B 23 5.198 -18.201 7.633 1.00 0.28 H new ATOM 0 HD13 ILE B 23 4.023 -18.364 8.960 1.00 0.28 H new ATOM 1469 N GLN B 24 6.739 -13.444 7.010 1.00 0.36 N ATOM 1470 CA GLN B 24 7.281 -12.080 7.187 1.00 0.40 C ATOM 1471 C GLN B 24 6.351 -11.047 6.539 1.00 0.35 C ATOM 1472 O GLN B 24 6.385 -9.882 6.890 1.00 0.36 O ATOM 1473 CB GLN B 24 8.640 -12.053 6.506 1.00 0.47 C ATOM 1474 CG GLN B 24 9.726 -11.629 7.500 1.00 0.56 C ATOM 1475 CD GLN B 24 11.081 -11.568 6.787 1.00 1.34 C ATOM 1476 OE1 GLN B 24 11.377 -12.392 5.943 1.00 2.14 O ATOM 1477 NE2 GLN B 24 11.927 -10.622 7.095 1.00 1.89 N ATOM 0 H GLN B 24 6.842 -13.823 6.069 1.00 0.36 H new ATOM 0 HA GLN B 24 7.366 -11.833 8.245 1.00 0.40 H new ATOM 0 HB2 GLN B 24 8.872 -13.039 6.103 1.00 0.47 H new ATOM 0 HB3 GLN B 24 8.618 -11.361 5.664 1.00 0.47 H new ATOM 0 HG2 GLN B 24 9.483 -10.655 7.925 1.00 0.56 H new ATOM 0 HG3 GLN B 24 9.771 -12.336 8.328 1.00 0.56 H new ATOM 0 HE21 GLN B 24 11.682 -9.929 7.802 1.00 1.89 H new ATOM 0 HE22 GLN B 24 12.833 -10.576 6.628 1.00 1.89 H new ATOM 1486 N SER B 25 5.517 -11.452 5.605 1.00 0.31 N ATOM 1487 CA SER B 25 4.596 -10.470 4.960 1.00 0.27 C ATOM 1488 C SER B 25 3.404 -11.180 4.320 1.00 0.25 C ATOM 1489 O SER B 25 3.277 -12.386 4.386 1.00 0.26 O ATOM 1490 CB SER B 25 5.321 -9.694 3.874 1.00 0.29 C ATOM 1491 OG SER B 25 5.946 -10.597 2.971 1.00 0.35 O ATOM 0 H SER B 25 5.438 -12.411 5.268 1.00 0.31 H new ATOM 0 HA SER B 25 4.248 -9.791 5.739 1.00 0.27 H new ATOM 0 HB2 SER B 25 4.617 -9.058 3.337 1.00 0.29 H new ATOM 0 HB3 SER B 25 6.068 -9.037 4.321 1.00 0.29 H new ATOM 0 HG SER B 25 6.411 -10.091 2.272 1.00 0.35 H new ATOM 1497 N VAL B 26 2.536 -10.426 3.693 1.00 0.23 N ATOM 1498 CA VAL B 26 1.351 -11.021 3.021 1.00 0.22 C ATOM 1499 C VAL B 26 0.850 -10.067 1.939 1.00 0.22 C ATOM 1500 O VAL B 26 1.075 -8.871 1.986 1.00 0.24 O ATOM 1501 CB VAL B 26 0.219 -11.262 4.025 1.00 0.22 C ATOM 1502 CG1 VAL B 26 0.138 -10.101 4.997 1.00 0.23 C ATOM 1503 CG2 VAL B 26 -1.115 -11.395 3.274 1.00 0.24 C ATOM 0 H VAL B 26 2.603 -9.411 3.620 1.00 0.23 H new ATOM 0 HA VAL B 26 1.647 -11.974 2.583 1.00 0.22 H new ATOM 0 HB VAL B 26 0.420 -12.180 4.577 1.00 0.22 H new ATOM 0 HG11 VAL B 26 -0.669 -10.278 5.709 1.00 0.23 H new ATOM 0 HG12 VAL B 26 1.082 -10.010 5.534 1.00 0.23 H new ATOM 0 HG13 VAL B 26 -0.058 -9.180 4.448 1.00 0.23 H new ATOM 0 HG21 VAL B 26 -1.920 -11.566 3.989 1.00 0.24 H new ATOM 0 HG22 VAL B 26 -1.313 -10.478 2.718 1.00 0.24 H new ATOM 0 HG23 VAL B 26 -1.060 -12.235 2.581 1.00 0.24 H new ATOM 1513 N ASN B 27 0.151 -10.600 0.981 1.00 0.22 N ATOM 1514 CA ASN B 27 -0.401 -9.776 -0.101 1.00 0.23 C ATOM 1515 C ASN B 27 -1.901 -10.015 -0.205 1.00 0.29 C ATOM 1516 O ASN B 27 -2.377 -11.125 -0.063 1.00 0.53 O ATOM 1517 CB ASN B 27 0.242 -10.149 -1.419 1.00 0.32 C ATOM 1518 CG ASN B 27 1.707 -10.562 -1.219 1.00 0.39 C ATOM 1519 OD1 ASN B 27 2.499 -9.804 -0.692 1.00 0.76 O ATOM 1520 ND2 ASN B 27 2.103 -11.736 -1.625 1.00 0.48 N ATOM 0 H ASN B 27 -0.060 -11.595 0.909 1.00 0.22 H new ATOM 0 HA ASN B 27 -0.201 -8.727 0.119 1.00 0.23 H new ATOM 0 HB2 ASN B 27 -0.311 -10.968 -1.879 1.00 0.32 H new ATOM 0 HB3 ASN B 27 0.189 -9.304 -2.106 1.00 0.32 H new ATOM 0 HD21 ASN B 27 3.075 -12.017 -1.500 1.00 0.48 H new ATOM 0 HD22 ASN B 27 1.440 -12.373 -2.067 1.00 0.48 H new ATOM 1527 N VAL B 28 -2.643 -8.982 -0.471 1.00 0.20 N ATOM 1528 CA VAL B 28 -4.122 -9.138 -0.607 1.00 0.21 C ATOM 1529 C VAL B 28 -4.576 -8.468 -1.911 1.00 0.26 C ATOM 1530 O VAL B 28 -4.373 -7.289 -2.114 1.00 0.32 O ATOM 1531 CB VAL B 28 -4.827 -8.516 0.608 1.00 0.26 C ATOM 1532 CG1 VAL B 28 -4.426 -7.050 0.759 1.00 0.31 C ATOM 1533 CG2 VAL B 28 -6.347 -8.615 0.439 1.00 0.32 C ATOM 0 H VAL B 28 -2.293 -8.033 -0.601 1.00 0.20 H new ATOM 0 HA VAL B 28 -4.385 -10.195 -0.643 1.00 0.21 H new ATOM 0 HB VAL B 28 -4.526 -9.062 1.502 1.00 0.26 H new ATOM 0 HG11 VAL B 28 -4.933 -6.621 1.624 1.00 0.31 H new ATOM 0 HG12 VAL B 28 -3.347 -6.980 0.899 1.00 0.31 H new ATOM 0 HG13 VAL B 28 -4.711 -6.500 -0.138 1.00 0.31 H new ATOM 0 HG21 VAL B 28 -6.839 -8.172 1.305 1.00 0.32 H new ATOM 0 HG22 VAL B 28 -6.648 -8.081 -0.462 1.00 0.32 H new ATOM 0 HG23 VAL B 28 -6.636 -9.663 0.354 1.00 0.32 H new ATOM 1543 N LYS B 29 -5.168 -9.228 -2.799 1.00 0.28 N ATOM 1544 CA LYS B 29 -5.614 -8.669 -4.113 1.00 0.37 C ATOM 1545 C LYS B 29 -7.092 -9.005 -4.366 1.00 0.35 C ATOM 1546 O LYS B 29 -7.616 -9.995 -3.882 1.00 0.41 O ATOM 1547 CB LYS B 29 -4.739 -9.277 -5.224 1.00 0.45 C ATOM 1548 CG LYS B 29 -5.161 -8.759 -6.606 1.00 1.08 C ATOM 1549 CD LYS B 29 -4.142 -7.731 -7.102 1.00 1.16 C ATOM 1550 CE LYS B 29 -4.390 -7.424 -8.574 1.00 0.98 C ATOM 1551 NZ LYS B 29 -3.883 -8.545 -9.419 1.00 1.12 N ATOM 0 H LYS B 29 -5.363 -10.221 -2.668 1.00 0.28 H new ATOM 0 HA LYS B 29 -5.509 -7.584 -4.104 1.00 0.37 H new ATOM 0 HB2 LYS B 29 -3.693 -9.030 -5.043 1.00 0.45 H new ATOM 0 HB3 LYS B 29 -4.818 -10.364 -5.200 1.00 0.45 H new ATOM 0 HG2 LYS B 29 -5.229 -9.588 -7.311 1.00 1.08 H new ATOM 0 HG3 LYS B 29 -6.151 -8.306 -6.549 1.00 1.08 H new ATOM 0 HD2 LYS B 29 -4.218 -6.817 -6.513 1.00 1.16 H new ATOM 0 HD3 LYS B 29 -3.131 -8.114 -6.967 1.00 1.16 H new ATOM 0 HE2 LYS B 29 -5.456 -7.278 -8.749 1.00 0.98 H new ATOM 0 HE3 LYS B 29 -3.891 -6.495 -8.850 1.00 0.98 H new ATOM 0 HZ1 LYS B 29 -3.819 -8.232 -10.409 1.00 1.12 H new ATOM 0 HZ2 LYS B 29 -2.941 -8.833 -9.085 1.00 1.12 H new ATOM 0 HZ3 LYS B 29 -4.535 -9.352 -9.353 1.00 1.12 H new ATOM 1565 N SER B 30 -7.755 -8.170 -5.132 1.00 0.38 N ATOM 1566 CA SER B 30 -9.197 -8.381 -5.462 1.00 0.40 C ATOM 1567 C SER B 30 -9.320 -9.370 -6.650 1.00 0.36 C ATOM 1568 O SER B 30 -8.334 -9.668 -7.299 1.00 0.36 O ATOM 1569 CB SER B 30 -9.793 -7.004 -5.827 1.00 0.50 C ATOM 1570 OG SER B 30 -10.473 -7.063 -7.076 1.00 1.57 O ATOM 0 H SER B 30 -7.346 -7.334 -5.550 1.00 0.38 H new ATOM 0 HA SER B 30 -9.737 -8.808 -4.617 1.00 0.40 H new ATOM 0 HB2 SER B 30 -10.483 -6.683 -5.047 1.00 0.50 H new ATOM 0 HB3 SER B 30 -8.998 -6.260 -5.875 1.00 0.50 H new ATOM 0 HG SER B 30 -10.844 -6.181 -7.288 1.00 1.57 H new ATOM 1576 N PRO B 31 -10.530 -9.842 -6.908 1.00 0.39 N ATOM 1577 CA PRO B 31 -10.801 -10.787 -8.023 1.00 0.41 C ATOM 1578 C PRO B 31 -10.751 -10.058 -9.378 1.00 0.50 C ATOM 1579 O PRO B 31 -10.412 -8.890 -9.443 1.00 0.55 O ATOM 1580 CB PRO B 31 -12.212 -11.303 -7.723 1.00 0.47 C ATOM 1581 CG PRO B 31 -12.879 -10.250 -6.810 1.00 0.53 C ATOM 1582 CD PRO B 31 -11.736 -9.480 -6.125 1.00 0.47 C ATOM 0 HA PRO B 31 -10.067 -11.590 -8.091 1.00 0.41 H new ATOM 0 HB2 PRO B 31 -12.781 -11.435 -8.643 1.00 0.47 H new ATOM 0 HB3 PRO B 31 -12.173 -12.275 -7.231 1.00 0.47 H new ATOM 0 HG2 PRO B 31 -13.508 -9.575 -7.391 1.00 0.53 H new ATOM 0 HG3 PRO B 31 -13.522 -10.728 -6.071 1.00 0.53 H new ATOM 0 HD2 PRO B 31 -11.914 -8.405 -6.143 1.00 0.47 H new ATOM 0 HD3 PRO B 31 -11.633 -9.769 -5.079 1.00 0.47 H new ATOM 1590 N GLY B 32 -11.082 -10.729 -10.464 1.00 0.59 N ATOM 1591 CA GLY B 32 -11.037 -10.039 -11.793 1.00 0.72 C ATOM 1592 C GLY B 32 -11.231 -11.042 -12.939 1.00 0.79 C ATOM 1593 O GLY B 32 -12.318 -11.155 -13.472 1.00 0.83 O ATOM 0 H GLY B 32 -11.375 -11.706 -10.485 1.00 0.59 H new ATOM 0 HA2 GLY B 32 -11.814 -9.276 -11.837 1.00 0.72 H new ATOM 0 HA3 GLY B 32 -10.081 -9.528 -11.910 1.00 0.72 H new ATOM 1597 N PRO B 33 -10.164 -11.727 -13.300 1.00 0.88 N ATOM 1598 CA PRO B 33 -10.187 -12.714 -14.404 1.00 1.01 C ATOM 1599 C PRO B 33 -10.937 -13.993 -13.994 1.00 0.95 C ATOM 1600 O PRO B 33 -11.738 -13.983 -13.079 1.00 0.86 O ATOM 1601 CB PRO B 33 -8.699 -12.981 -14.676 1.00 1.18 C ATOM 1602 CG PRO B 33 -7.938 -12.578 -13.394 1.00 1.13 C ATOM 1603 CD PRO B 33 -8.845 -11.590 -12.639 1.00 0.94 C ATOM 0 HA PRO B 33 -10.713 -12.355 -15.288 1.00 1.01 H new ATOM 0 HB2 PRO B 33 -8.531 -14.032 -14.913 1.00 1.18 H new ATOM 0 HB3 PRO B 33 -8.351 -12.402 -15.531 1.00 1.18 H new ATOM 0 HG2 PRO B 33 -7.722 -13.452 -12.780 1.00 1.13 H new ATOM 0 HG3 PRO B 33 -6.982 -12.116 -13.640 1.00 1.13 H new ATOM 0 HD2 PRO B 33 -8.904 -11.835 -11.578 1.00 0.94 H new ATOM 0 HD3 PRO B 33 -8.468 -10.570 -12.710 1.00 0.94 H new ATOM 1611 N HIS B 34 -10.699 -15.090 -14.683 1.00 1.08 N ATOM 1612 CA HIS B 34 -11.413 -16.371 -14.349 1.00 1.12 C ATOM 1613 C HIS B 34 -11.155 -16.778 -12.898 1.00 1.05 C ATOM 1614 O HIS B 34 -11.965 -17.469 -12.305 1.00 1.09 O ATOM 1615 CB HIS B 34 -10.976 -17.507 -15.294 1.00 1.30 C ATOM 1616 CG HIS B 34 -9.488 -17.454 -15.554 1.00 1.44 C ATOM 1617 ND1 HIS B 34 -8.964 -17.554 -16.833 1.00 1.81 N ATOM 1618 CD2 HIS B 34 -8.406 -17.316 -14.717 1.00 1.53 C ATOM 1619 CE1 HIS B 34 -7.625 -17.473 -16.731 1.00 2.10 C ATOM 1620 NE2 HIS B 34 -7.232 -17.327 -15.463 1.00 1.92 N ATOM 0 H HIS B 34 -10.042 -15.153 -15.461 1.00 1.08 H new ATOM 0 HA HIS B 34 -12.481 -16.196 -14.480 1.00 1.12 H new ATOM 0 HB2 HIS B 34 -11.238 -18.470 -14.856 1.00 1.30 H new ATOM 0 HB3 HIS B 34 -11.517 -17.428 -16.237 1.00 1.30 H new ATOM 0 HD1 HIS B 34 -9.497 -17.668 -17.695 1.00 1.81 H new ATOM 0 HD2 HIS B 34 -8.459 -17.214 -13.643 1.00 1.53 H new ATOM 0 HE1 HIS B 34 -6.950 -17.520 -17.573 1.00 2.10 H new ATOM 1628 N CYS B 35 -10.077 -16.329 -12.295 1.00 0.98 N ATOM 1629 CA CYS B 35 -9.856 -16.673 -10.865 1.00 0.96 C ATOM 1630 C CYS B 35 -11.027 -16.060 -10.095 1.00 0.96 C ATOM 1631 O CYS B 35 -11.610 -16.684 -9.229 1.00 1.71 O ATOM 1632 CB CYS B 35 -8.517 -16.104 -10.375 1.00 1.07 C ATOM 1633 SG CYS B 35 -8.485 -14.301 -10.576 1.00 2.09 S ATOM 0 H CYS B 35 -9.357 -15.750 -12.727 1.00 0.98 H new ATOM 0 HA CYS B 35 -9.811 -17.752 -10.716 1.00 0.96 H new ATOM 0 HB2 CYS B 35 -8.367 -16.362 -9.327 1.00 1.07 H new ATOM 0 HB3 CYS B 35 -7.697 -16.553 -10.935 1.00 1.07 H new ATOM 0 HG CYS B 35 -7.346 -13.837 -10.154 1.00 2.09 H new ATOM 1638 N ALA B 36 -11.407 -14.856 -10.485 1.00 0.83 N ATOM 1639 CA ALA B 36 -12.580 -14.155 -9.887 1.00 0.75 C ATOM 1640 C ALA B 36 -12.694 -14.426 -8.383 1.00 0.74 C ATOM 1641 O ALA B 36 -13.768 -14.618 -7.843 1.00 1.16 O ATOM 1642 CB ALA B 36 -13.815 -14.643 -10.620 1.00 0.82 C ATOM 0 H ALA B 36 -10.932 -14.324 -11.214 1.00 0.83 H new ATOM 0 HA ALA B 36 -12.466 -13.076 -9.995 1.00 0.75 H new ATOM 0 HB1 ALA B 36 -14.698 -14.152 -10.211 1.00 0.82 H new ATOM 0 HB2 ALA B 36 -13.726 -14.406 -11.680 1.00 0.82 H new ATOM 0 HB3 ALA B 36 -13.909 -15.722 -10.496 1.00 0.82 H new ATOM 1648 N GLN B 37 -11.580 -14.424 -7.717 1.00 0.67 N ATOM 1649 CA GLN B 37 -11.555 -14.660 -6.245 1.00 0.67 C ATOM 1650 C GLN B 37 -10.576 -13.670 -5.623 1.00 0.56 C ATOM 1651 O GLN B 37 -9.750 -13.086 -6.301 1.00 0.61 O ATOM 1652 CB GLN B 37 -11.105 -16.106 -5.976 1.00 0.77 C ATOM 1653 CG GLN B 37 -10.614 -16.317 -4.532 1.00 1.43 C ATOM 1654 CD GLN B 37 -10.544 -17.818 -4.236 1.00 2.21 C ATOM 1655 OE1 GLN B 37 -9.799 -18.540 -4.870 1.00 2.85 O ATOM 1656 NE2 GLN B 37 -11.292 -18.323 -3.291 1.00 2.89 N ATOM 0 H GLN B 37 -10.664 -14.266 -8.136 1.00 0.67 H new ATOM 0 HA GLN B 37 -12.544 -14.517 -5.809 1.00 0.67 H new ATOM 0 HB2 GLN B 37 -11.935 -16.784 -6.176 1.00 0.77 H new ATOM 0 HB3 GLN B 37 -10.306 -16.368 -6.669 1.00 0.77 H new ATOM 0 HG2 GLN B 37 -9.632 -15.862 -4.399 1.00 1.43 H new ATOM 0 HG3 GLN B 37 -11.290 -15.827 -3.831 1.00 1.43 H new ATOM 0 HE21 GLN B 37 -11.918 -17.719 -2.758 1.00 2.89 H new ATOM 0 HE22 GLN B 37 -11.250 -19.321 -3.086 1.00 2.89 H new ATOM 1665 N THR B 38 -10.670 -13.478 -4.344 1.00 0.50 N ATOM 1666 CA THR B 38 -9.754 -12.524 -3.650 1.00 0.41 C ATOM 1667 C THR B 38 -8.312 -13.036 -3.721 1.00 0.35 C ATOM 1668 O THR B 38 -7.979 -13.920 -4.490 1.00 0.39 O ATOM 1669 CB THR B 38 -10.155 -12.370 -2.171 1.00 0.44 C ATOM 1670 OG1 THR B 38 -11.393 -13.027 -1.922 1.00 0.56 O ATOM 1671 CG2 THR B 38 -10.293 -10.889 -1.855 1.00 0.44 C ATOM 0 H THR B 38 -11.346 -13.942 -3.738 1.00 0.50 H new ATOM 0 HA THR B 38 -9.829 -11.557 -4.148 1.00 0.41 H new ATOM 0 HB THR B 38 -9.390 -12.821 -1.539 1.00 0.44 H new ATOM 0 HG1 THR B 38 -11.635 -12.923 -0.978 1.00 0.56 H new ATOM 0 HG21 THR B 38 -10.577 -10.765 -0.810 1.00 0.44 H new ATOM 0 HG22 THR B 38 -9.341 -10.388 -2.034 1.00 0.44 H new ATOM 0 HG23 THR B 38 -11.060 -10.451 -2.494 1.00 0.44 H new ATOM 1679 N GLU B 39 -7.463 -12.501 -2.892 1.00 0.29 N ATOM 1680 CA GLU B 39 -6.059 -12.943 -2.851 1.00 0.25 C ATOM 1681 C GLU B 39 -5.571 -12.654 -1.468 1.00 0.20 C ATOM 1682 O GLU B 39 -5.849 -11.608 -0.912 1.00 0.21 O ATOM 1683 CB GLU B 39 -5.182 -12.172 -3.817 1.00 0.27 C ATOM 1684 CG GLU B 39 -4.610 -13.119 -4.875 1.00 0.38 C ATOM 1685 CD GLU B 39 -3.595 -12.368 -5.741 1.00 1.38 C ATOM 1686 OE1 GLU B 39 -2.501 -12.121 -5.261 1.00 1.94 O ATOM 1687 OE2 GLU B 39 -3.931 -12.052 -6.871 1.00 2.27 O ATOM 0 H GLU B 39 -7.696 -11.761 -2.230 1.00 0.29 H new ATOM 0 HA GLU B 39 -6.008 -13.997 -3.124 1.00 0.25 H new ATOM 0 HB2 GLU B 39 -5.762 -11.384 -4.298 1.00 0.27 H new ATOM 0 HB3 GLU B 39 -4.371 -11.686 -3.276 1.00 0.27 H new ATOM 0 HG2 GLU B 39 -4.132 -13.972 -4.394 1.00 0.38 H new ATOM 0 HG3 GLU B 39 -5.413 -13.513 -5.497 1.00 0.38 H new ATOM 1694 N VAL B 40 -4.900 -13.570 -0.886 1.00 0.18 N ATOM 1695 CA VAL B 40 -4.452 -13.361 0.482 1.00 0.16 C ATOM 1696 C VAL B 40 -3.214 -14.227 0.696 1.00 0.15 C ATOM 1697 O VAL B 40 -3.265 -15.259 1.332 1.00 0.18 O ATOM 1698 CB VAL B 40 -5.628 -13.777 1.377 1.00 0.19 C ATOM 1699 CG1 VAL B 40 -6.490 -12.546 1.638 1.00 0.25 C ATOM 1700 CG2 VAL B 40 -6.507 -14.802 0.637 1.00 0.22 C ATOM 0 H VAL B 40 -4.640 -14.464 -1.303 1.00 0.18 H new ATOM 0 HA VAL B 40 -4.177 -12.331 0.710 1.00 0.16 H new ATOM 0 HB VAL B 40 -5.244 -14.205 2.303 1.00 0.19 H new ATOM 0 HG11 VAL B 40 -7.333 -12.820 2.273 1.00 0.25 H new ATOM 0 HG12 VAL B 40 -5.893 -11.783 2.137 1.00 0.25 H new ATOM 0 HG13 VAL B 40 -6.862 -12.155 0.691 1.00 0.25 H new ATOM 0 HG21 VAL B 40 -7.340 -15.095 1.275 1.00 0.22 H new ATOM 0 HG22 VAL B 40 -6.892 -14.356 -0.280 1.00 0.22 H new ATOM 0 HG23 VAL B 40 -5.912 -15.682 0.391 1.00 0.22 H new ATOM 1710 N ILE B 41 -2.117 -13.838 0.093 1.00 0.16 N ATOM 1711 CA ILE B 41 -0.884 -14.656 0.164 1.00 0.17 C ATOM 1712 C ILE B 41 0.108 -14.138 1.209 1.00 0.16 C ATOM 1713 O ILE B 41 0.639 -13.061 1.085 1.00 0.19 O ATOM 1714 CB ILE B 41 -0.247 -14.633 -1.225 1.00 0.21 C ATOM 1715 CG1 ILE B 41 -0.881 -15.758 -2.060 1.00 0.23 C ATOM 1716 CG2 ILE B 41 1.265 -14.835 -1.117 1.00 0.28 C ATOM 1717 CD1 ILE B 41 0.062 -16.198 -3.182 1.00 0.74 C ATOM 0 H ILE B 41 -2.031 -12.978 -0.449 1.00 0.16 H new ATOM 0 HA ILE B 41 -1.144 -15.669 0.471 1.00 0.17 H new ATOM 0 HB ILE B 41 -0.422 -13.669 -1.704 1.00 0.21 H new ATOM 0 HG12 ILE B 41 -1.111 -16.608 -1.418 1.00 0.23 H new ATOM 0 HG13 ILE B 41 -1.824 -15.415 -2.485 1.00 0.23 H new ATOM 0 HG21 ILE B 41 1.707 -14.817 -2.113 1.00 0.28 H new ATOM 0 HG22 ILE B 41 1.697 -14.036 -0.514 1.00 0.28 H new ATOM 0 HG23 ILE B 41 1.471 -15.796 -0.647 1.00 0.28 H new ATOM 0 HD11 ILE B 41 -0.407 -16.995 -3.760 1.00 0.74 H new ATOM 0 HD12 ILE B 41 0.271 -15.351 -3.835 1.00 0.74 H new ATOM 0 HD13 ILE B 41 0.995 -16.563 -2.751 1.00 0.74 H new ATOM 1729 N ALA B 42 0.407 -14.934 2.203 1.00 0.15 N ATOM 1730 CA ALA B 42 1.406 -14.527 3.227 1.00 0.17 C ATOM 1731 C ALA B 42 2.782 -14.970 2.755 1.00 0.21 C ATOM 1732 O ALA B 42 3.060 -16.151 2.659 1.00 0.22 O ATOM 1733 CB ALA B 42 1.072 -15.194 4.552 1.00 0.16 C ATOM 0 H ALA B 42 -0.004 -15.856 2.347 1.00 0.15 H new ATOM 0 HA ALA B 42 1.391 -13.446 3.364 1.00 0.17 H new ATOM 0 HB1 ALA B 42 1.803 -14.897 5.304 1.00 0.16 H new ATOM 0 HB2 ALA B 42 0.077 -14.887 4.873 1.00 0.16 H new ATOM 0 HB3 ALA B 42 1.096 -16.277 4.431 1.00 0.16 H new ATOM 1739 N THR B 43 3.647 -14.036 2.447 1.00 0.25 N ATOM 1740 CA THR B 43 4.995 -14.424 1.969 1.00 0.29 C ATOM 1741 C THR B 43 5.799 -14.976 3.135 1.00 0.30 C ATOM 1742 O THR B 43 5.942 -14.349 4.171 1.00 0.31 O ATOM 1743 CB THR B 43 5.743 -13.232 1.363 1.00 0.34 C ATOM 1744 OG1 THR B 43 4.825 -12.351 0.725 1.00 0.36 O ATOM 1745 CG2 THR B 43 6.761 -13.748 0.347 1.00 0.37 C ATOM 0 H THR B 43 3.474 -13.033 2.507 1.00 0.25 H new ATOM 0 HA THR B 43 4.875 -15.180 1.193 1.00 0.29 H new ATOM 0 HB THR B 43 6.257 -12.685 2.153 1.00 0.34 H new ATOM 0 HG1 THR B 43 4.830 -11.485 1.183 1.00 0.36 H new ATOM 0 HG21 THR B 43 7.298 -12.906 -0.090 1.00 0.37 H new ATOM 0 HG22 THR B 43 7.468 -14.411 0.845 1.00 0.37 H new ATOM 0 HG23 THR B 43 6.243 -14.296 -0.441 1.00 0.37 H new ATOM 1753 N LEU B 44 6.302 -16.158 2.968 1.00 0.32 N ATOM 1754 CA LEU B 44 7.083 -16.815 4.030 1.00 0.34 C ATOM 1755 C LEU B 44 8.477 -16.190 4.159 1.00 0.39 C ATOM 1756 O LEU B 44 8.984 -15.591 3.225 1.00 0.41 O ATOM 1757 CB LEU B 44 7.226 -18.271 3.640 1.00 0.37 C ATOM 1758 CG LEU B 44 6.162 -19.105 4.334 1.00 0.35 C ATOM 1759 CD1 LEU B 44 6.740 -19.566 5.667 1.00 0.37 C ATOM 1760 CD2 LEU B 44 4.868 -18.278 4.549 1.00 0.29 C ATOM 0 H LEU B 44 6.199 -16.708 2.115 1.00 0.32 H new ATOM 0 HA LEU B 44 6.576 -16.699 4.988 1.00 0.34 H new ATOM 0 HB2 LEU B 44 7.134 -18.377 2.559 1.00 0.37 H new ATOM 0 HB3 LEU B 44 8.218 -18.633 3.912 1.00 0.37 H new ATOM 0 HG LEU B 44 5.892 -19.965 3.721 1.00 0.35 H new ATOM 0 HD11 LEU B 44 6.001 -20.169 6.195 1.00 0.37 H new ATOM 0 HD12 LEU B 44 7.635 -20.162 5.489 1.00 0.37 H new ATOM 0 HD13 LEU B 44 6.997 -18.697 6.272 1.00 0.37 H new ATOM 0 HD21 LEU B 44 4.120 -18.895 5.047 1.00 0.29 H new ATOM 0 HD22 LEU B 44 5.091 -17.408 5.167 1.00 0.29 H new ATOM 0 HD23 LEU B 44 4.482 -17.949 3.584 1.00 0.29 H new ATOM 1772 N LYS B 45 9.101 -16.372 5.308 1.00 0.41 N ATOM 1773 CA LYS B 45 10.464 -15.840 5.573 1.00 0.46 C ATOM 1774 C LYS B 45 11.451 -16.332 4.529 1.00 0.50 C ATOM 1775 O LYS B 45 12.299 -15.589 4.069 1.00 0.53 O ATOM 1776 CB LYS B 45 10.900 -16.348 6.940 1.00 0.48 C ATOM 1777 CG LYS B 45 11.278 -15.177 7.854 1.00 0.50 C ATOM 1778 CD LYS B 45 12.773 -14.877 7.718 1.00 0.78 C ATOM 1779 CE LYS B 45 13.256 -14.113 8.954 1.00 1.29 C ATOM 1780 NZ LYS B 45 14.747 -14.127 9.002 1.00 1.70 N ATOM 0 H LYS B 45 8.698 -16.886 6.091 1.00 0.41 H new ATOM 0 HA LYS B 45 10.443 -14.751 5.538 1.00 0.46 H new ATOM 0 HB2 LYS B 45 10.094 -16.925 7.394 1.00 0.48 H new ATOM 0 HB3 LYS B 45 11.751 -17.020 6.830 1.00 0.48 H new ATOM 0 HG2 LYS B 45 10.695 -14.295 7.590 1.00 0.50 H new ATOM 0 HG3 LYS B 45 11.039 -15.420 8.889 1.00 0.50 H new ATOM 0 HD2 LYS B 45 13.333 -15.806 7.610 1.00 0.78 H new ATOM 0 HD3 LYS B 45 12.956 -14.288 6.819 1.00 0.78 H new ATOM 0 HE2 LYS B 45 12.893 -13.086 8.923 1.00 1.29 H new ATOM 0 HE3 LYS B 45 12.849 -14.568 9.857 1.00 1.29 H new ATOM 0 HZ1 LYS B 45 15.072 -13.608 9.842 1.00 1.70 H new ATOM 0 HZ2 LYS B 45 15.084 -15.110 9.051 1.00 1.70 H new ATOM 0 HZ3 LYS B 45 15.126 -13.673 8.146 1.00 1.70 H new ATOM 1794 N ASN B 46 11.347 -17.577 4.145 1.00 0.52 N ATOM 1795 CA ASN B 46 12.283 -18.113 3.116 1.00 0.57 C ATOM 1796 C ASN B 46 11.949 -17.514 1.730 1.00 0.58 C ATOM 1797 O ASN B 46 12.559 -17.862 0.735 1.00 0.66 O ATOM 1798 CB ASN B 46 12.167 -19.641 3.080 1.00 0.60 C ATOM 1799 CG ASN B 46 10.794 -20.055 2.544 1.00 0.81 C ATOM 1800 OD1 ASN B 46 10.582 -20.077 1.350 1.00 1.87 O ATOM 1801 ND2 ASN B 46 9.849 -20.387 3.383 1.00 0.60 N ATOM 0 H ASN B 46 10.658 -18.242 4.497 1.00 0.52 H new ATOM 0 HA ASN B 46 13.306 -17.835 3.371 1.00 0.57 H new ATOM 0 HB2 ASN B 46 12.952 -20.058 2.449 1.00 0.60 H new ATOM 0 HB3 ASN B 46 12.312 -20.048 4.081 1.00 0.60 H new ATOM 0 HD21 ASN B 46 8.932 -20.665 3.034 1.00 0.60 H new ATOM 0 HD22 ASN B 46 10.029 -20.368 4.387 1.00 0.60 H new ATOM 1808 N GLY B 47 10.980 -16.624 1.662 1.00 0.52 N ATOM 1809 CA GLY B 47 10.589 -16.007 0.364 1.00 0.53 C ATOM 1810 C GLY B 47 9.571 -16.912 -0.319 1.00 0.52 C ATOM 1811 O GLY B 47 9.553 -17.046 -1.528 1.00 0.57 O ATOM 0 H GLY B 47 10.442 -16.300 2.466 1.00 0.52 H new ATOM 0 HA2 GLY B 47 10.164 -15.017 0.529 1.00 0.53 H new ATOM 0 HA3 GLY B 47 11.465 -15.876 -0.271 1.00 0.53 H new ATOM 1815 N ARG B 48 8.709 -17.520 0.458 1.00 0.48 N ATOM 1816 CA ARG B 48 7.661 -18.412 -0.122 1.00 0.50 C ATOM 1817 C ARG B 48 6.321 -17.706 0.027 1.00 0.42 C ATOM 1818 O ARG B 48 6.274 -16.539 0.349 1.00 0.40 O ATOM 1819 CB ARG B 48 7.632 -19.744 0.637 1.00 0.56 C ATOM 1820 CG ARG B 48 8.294 -20.833 -0.208 1.00 0.80 C ATOM 1821 CD ARG B 48 8.425 -22.115 0.622 1.00 0.81 C ATOM 1822 NE ARG B 48 8.733 -23.268 -0.275 1.00 1.00 N ATOM 1823 CZ ARG B 48 8.772 -24.483 0.209 1.00 1.32 C ATOM 1824 NH1 ARG B 48 7.667 -25.174 0.330 1.00 1.93 N ATOM 1825 NH2 ARG B 48 9.916 -25.008 0.569 1.00 2.01 N ATOM 0 H ARG B 48 8.687 -17.435 1.474 1.00 0.48 H new ATOM 0 HA ARG B 48 7.872 -18.618 -1.171 1.00 0.50 H new ATOM 0 HB2 ARG B 48 8.152 -19.642 1.589 1.00 0.56 H new ATOM 0 HB3 ARG B 48 6.603 -20.022 0.864 1.00 0.56 H new ATOM 0 HG2 ARG B 48 7.701 -21.025 -1.102 1.00 0.80 H new ATOM 0 HG3 ARG B 48 9.277 -20.502 -0.542 1.00 0.80 H new ATOM 0 HD2 ARG B 48 9.214 -21.999 1.365 1.00 0.81 H new ATOM 0 HD3 ARG B 48 7.500 -22.303 1.167 1.00 0.81 H new ATOM 0 HE ARG B 48 8.913 -23.108 -1.266 1.00 1.00 H new ATOM 0 HH11 ARG B 48 6.776 -24.765 0.047 1.00 1.93 H new ATOM 0 HH12 ARG B 48 7.697 -26.121 0.707 1.00 1.93 H new ATOM 0 HH21 ARG B 48 10.777 -24.470 0.472 1.00 2.01 H new ATOM 0 HH22 ARG B 48 9.946 -25.955 0.946 1.00 2.01 H new ATOM 1839 N LYS B 49 5.235 -18.384 -0.197 1.00 0.41 N ATOM 1840 CA LYS B 49 3.922 -17.718 -0.044 1.00 0.36 C ATOM 1841 C LYS B 49 2.838 -18.726 0.322 1.00 0.31 C ATOM 1842 O LYS B 49 2.878 -19.882 -0.057 1.00 0.36 O ATOM 1843 CB LYS B 49 3.523 -17.005 -1.338 1.00 0.44 C ATOM 1844 CG LYS B 49 4.198 -17.641 -2.569 1.00 0.73 C ATOM 1845 CD LYS B 49 3.658 -19.054 -2.825 1.00 0.72 C ATOM 1846 CE LYS B 49 2.141 -19.012 -3.035 1.00 0.46 C ATOM 1847 NZ LYS B 49 1.723 -20.169 -3.879 1.00 1.06 N ATOM 0 H LYS B 49 5.201 -19.364 -0.478 1.00 0.41 H new ATOM 0 HA LYS B 49 4.018 -16.987 0.759 1.00 0.36 H new ATOM 0 HB2 LYS B 49 2.440 -17.043 -1.456 1.00 0.44 H new ATOM 0 HB3 LYS B 49 3.800 -15.953 -1.274 1.00 0.44 H new ATOM 0 HG2 LYS B 49 4.024 -17.017 -3.446 1.00 0.73 H new ATOM 0 HG3 LYS B 49 5.276 -17.682 -2.416 1.00 0.73 H new ATOM 0 HD2 LYS B 49 4.142 -19.482 -3.703 1.00 0.72 H new ATOM 0 HD3 LYS B 49 3.898 -19.701 -1.981 1.00 0.72 H new ATOM 0 HE2 LYS B 49 1.629 -19.046 -2.073 1.00 0.46 H new ATOM 0 HE3 LYS B 49 1.855 -18.076 -3.515 1.00 0.46 H new ATOM 0 HZ1 LYS B 49 0.685 -20.239 -3.882 1.00 1.06 H new ATOM 0 HZ2 LYS B 49 2.064 -20.030 -4.852 1.00 1.06 H new ATOM 0 HZ3 LYS B 49 2.128 -21.045 -3.492 1.00 1.06 H new ATOM 1861 N ALA B 50 1.854 -18.269 1.039 1.00 0.25 N ATOM 1862 CA ALA B 50 0.716 -19.155 1.429 1.00 0.23 C ATOM 1863 C ALA B 50 -0.559 -18.356 1.331 1.00 0.20 C ATOM 1864 O ALA B 50 -0.530 -17.159 1.429 1.00 0.22 O ATOM 1865 CB ALA B 50 0.852 -19.611 2.876 1.00 0.22 C ATOM 0 H ALA B 50 1.785 -17.309 1.377 1.00 0.25 H new ATOM 0 HA ALA B 50 0.710 -20.024 0.771 1.00 0.23 H new ATOM 0 HB1 ALA B 50 0.011 -20.255 3.135 1.00 0.22 H new ATOM 0 HB2 ALA B 50 1.783 -20.164 2.997 1.00 0.22 H new ATOM 0 HB3 ALA B 50 0.859 -18.741 3.533 1.00 0.22 H new ATOM 1871 N CYS B 51 -1.683 -18.989 1.210 1.00 0.22 N ATOM 1872 CA CYS B 51 -2.929 -18.212 1.182 1.00 0.20 C ATOM 1873 C CYS B 51 -3.705 -18.588 2.418 1.00 0.21 C ATOM 1874 O CYS B 51 -3.571 -19.685 2.919 1.00 0.25 O ATOM 1875 CB CYS B 51 -3.753 -18.530 -0.065 1.00 0.25 C ATOM 1876 SG CYS B 51 -4.014 -17.007 -1.005 1.00 0.25 S ATOM 0 H CYS B 51 -1.788 -20.000 1.130 1.00 0.22 H new ATOM 0 HA CYS B 51 -2.707 -17.145 1.157 1.00 0.20 H new ATOM 0 HB2 CYS B 51 -3.236 -19.267 -0.679 1.00 0.25 H new ATOM 0 HB3 CYS B 51 -4.711 -18.966 0.218 1.00 0.25 H new ATOM 0 HG CYS B 51 -5.214 -17.007 -1.506 1.00 0.25 H new ATOM 1881 N LEU B 52 -4.494 -17.697 2.927 1.00 0.21 N ATOM 1882 CA LEU B 52 -5.288 -18.020 4.131 1.00 0.26 C ATOM 1883 C LEU B 52 -6.710 -17.523 3.889 1.00 0.29 C ATOM 1884 O LEU B 52 -6.969 -16.835 2.921 1.00 0.29 O ATOM 1885 CB LEU B 52 -4.667 -17.417 5.411 1.00 0.26 C ATOM 1886 CG LEU B 52 -3.719 -16.262 5.083 1.00 0.22 C ATOM 1887 CD1 LEU B 52 -2.478 -16.775 4.322 1.00 0.17 C ATOM 1888 CD2 LEU B 52 -4.490 -15.222 4.273 1.00 0.21 C ATOM 0 H LEU B 52 -4.624 -16.754 2.559 1.00 0.21 H new ATOM 0 HA LEU B 52 -5.296 -19.097 4.298 1.00 0.26 H new ATOM 0 HB2 LEU B 52 -5.460 -17.063 6.069 1.00 0.26 H new ATOM 0 HB3 LEU B 52 -4.125 -18.191 5.953 1.00 0.26 H new ATOM 0 HG LEU B 52 -3.355 -15.801 6.001 1.00 0.22 H new ATOM 0 HD11 LEU B 52 -1.817 -15.938 4.098 1.00 0.17 H new ATOM 0 HD12 LEU B 52 -1.948 -17.502 4.938 1.00 0.17 H new ATOM 0 HD13 LEU B 52 -2.792 -17.248 3.392 1.00 0.17 H new ATOM 0 HD21 LEU B 52 -3.831 -14.389 4.029 1.00 0.21 H new ATOM 0 HD22 LEU B 52 -4.857 -15.676 3.353 1.00 0.21 H new ATOM 0 HD23 LEU B 52 -5.334 -14.857 4.859 1.00 0.21 H new ATOM 1900 N ASN B 53 -7.639 -17.902 4.714 1.00 0.34 N ATOM 1901 CA ASN B 53 -9.053 -17.481 4.485 1.00 0.39 C ATOM 1902 C ASN B 53 -9.369 -16.188 5.253 1.00 0.40 C ATOM 1903 O ASN B 53 -9.722 -16.264 6.406 1.00 0.43 O ATOM 1904 CB ASN B 53 -9.994 -18.586 4.986 1.00 0.45 C ATOM 1905 CG ASN B 53 -10.281 -19.578 3.858 1.00 0.55 C ATOM 1906 OD1 ASN B 53 -9.830 -20.705 3.896 1.00 1.16 O ATOM 1907 ND2 ASN B 53 -11.025 -19.205 2.851 1.00 0.88 N ATOM 0 H ASN B 53 -7.486 -18.484 5.537 1.00 0.34 H new ATOM 0 HA ASN B 53 -9.193 -17.306 3.418 1.00 0.39 H new ATOM 0 HB2 ASN B 53 -9.542 -19.105 5.832 1.00 0.45 H new ATOM 0 HB3 ASN B 53 -10.926 -18.148 5.342 1.00 0.45 H new ATOM 0 HD21 ASN B 53 -11.227 -19.860 2.096 1.00 0.88 H new ATOM 0 HD22 ASN B 53 -11.404 -18.258 2.820 1.00 0.88 H new ATOM 1914 N PRO B 54 -9.290 -15.029 4.617 1.00 0.40 N ATOM 1915 CA PRO B 54 -9.620 -13.764 5.307 1.00 0.44 C ATOM 1916 C PRO B 54 -11.089 -13.794 5.742 1.00 0.49 C ATOM 1917 O PRO B 54 -11.449 -13.222 6.755 1.00 0.53 O ATOM 1918 CB PRO B 54 -9.312 -12.680 4.274 1.00 0.44 C ATOM 1919 CG PRO B 54 -9.313 -13.391 2.911 1.00 0.41 C ATOM 1920 CD PRO B 54 -8.917 -14.848 3.196 1.00 0.37 C ATOM 0 HA PRO B 54 -9.052 -13.587 6.220 1.00 0.44 H new ATOM 0 HB2 PRO B 54 -10.060 -11.888 4.303 1.00 0.44 H new ATOM 0 HB3 PRO B 54 -8.347 -12.214 4.472 1.00 0.44 H new ATOM 0 HG2 PRO B 54 -10.296 -13.338 2.443 1.00 0.41 H new ATOM 0 HG3 PRO B 54 -8.608 -12.922 2.225 1.00 0.41 H new ATOM 0 HD2 PRO B 54 -9.450 -15.544 2.548 1.00 0.37 H new ATOM 0 HD3 PRO B 54 -7.852 -15.014 3.035 1.00 0.37 H new ATOM 1928 N ALA B 55 -11.922 -14.527 5.030 1.00 0.51 N ATOM 1929 CA ALA B 55 -13.343 -14.674 5.460 1.00 0.57 C ATOM 1930 C ALA B 55 -13.324 -15.378 6.825 1.00 0.59 C ATOM 1931 O ALA B 55 -14.161 -15.138 7.676 1.00 0.63 O ATOM 1932 CB ALA B 55 -14.111 -15.528 4.444 1.00 0.58 C ATOM 0 H ALA B 55 -11.674 -15.025 4.175 1.00 0.51 H new ATOM 0 HA ALA B 55 -13.834 -13.703 5.526 1.00 0.57 H new ATOM 0 HB1 ALA B 55 -15.148 -15.631 4.765 1.00 0.58 H new ATOM 0 HB2 ALA B 55 -14.080 -15.047 3.467 1.00 0.58 H new ATOM 0 HB3 ALA B 55 -13.652 -16.515 4.377 1.00 0.58 H new ATOM 1938 N SER B 56 -12.330 -16.222 7.038 1.00 0.56 N ATOM 1939 CA SER B 56 -12.176 -16.931 8.340 1.00 0.58 C ATOM 1940 C SER B 56 -11.885 -15.885 9.433 1.00 0.60 C ATOM 1941 O SER B 56 -11.279 -14.868 9.151 1.00 0.58 O ATOM 1942 CB SER B 56 -10.995 -17.905 8.251 1.00 0.54 C ATOM 1943 OG SER B 56 -11.320 -19.109 8.935 1.00 0.62 O ATOM 0 H SER B 56 -11.613 -16.446 6.347 1.00 0.56 H new ATOM 0 HA SER B 56 -13.086 -17.483 8.576 1.00 0.58 H new ATOM 0 HB2 SER B 56 -10.764 -18.118 7.207 1.00 0.54 H new ATOM 0 HB3 SER B 56 -10.104 -17.454 8.689 1.00 0.54 H new ATOM 0 HG SER B 56 -10.783 -19.176 9.752 1.00 0.62 H new ATOM 1949 N PRO B 57 -12.310 -16.156 10.647 1.00 0.65 N ATOM 1950 CA PRO B 57 -12.085 -15.236 11.784 1.00 0.68 C ATOM 1951 C PRO B 57 -10.614 -15.291 12.224 1.00 0.64 C ATOM 1952 O PRO B 57 -9.921 -14.286 12.231 1.00 0.61 O ATOM 1953 CB PRO B 57 -13.029 -15.766 12.870 1.00 0.76 C ATOM 1954 CG PRO B 57 -13.322 -17.243 12.512 1.00 0.76 C ATOM 1955 CD PRO B 57 -13.035 -17.395 11.005 1.00 0.70 C ATOM 0 HA PRO B 57 -12.283 -14.190 11.548 1.00 0.68 H new ATOM 0 HB2 PRO B 57 -12.569 -15.689 13.855 1.00 0.76 H new ATOM 0 HB3 PRO B 57 -13.950 -15.184 12.902 1.00 0.76 H new ATOM 0 HG2 PRO B 57 -12.694 -17.915 13.096 1.00 0.76 H new ATOM 0 HG3 PRO B 57 -14.357 -17.498 12.737 1.00 0.76 H new ATOM 0 HD2 PRO B 57 -12.434 -18.281 10.801 1.00 0.70 H new ATOM 0 HD3 PRO B 57 -13.957 -17.497 10.432 1.00 0.70 H new ATOM 1963 N ILE B 58 -10.132 -16.467 12.558 1.00 0.65 N ATOM 1964 CA ILE B 58 -8.702 -16.629 12.967 1.00 0.62 C ATOM 1965 C ILE B 58 -7.815 -16.016 11.899 1.00 0.54 C ATOM 1966 O ILE B 58 -6.847 -15.343 12.177 1.00 0.52 O ATOM 1967 CB ILE B 58 -8.393 -18.134 13.070 1.00 0.63 C ATOM 1968 CG1 ILE B 58 -8.006 -18.491 14.510 1.00 0.67 C ATOM 1969 CG2 ILE B 58 -7.248 -18.523 12.116 1.00 0.61 C ATOM 1970 CD1 ILE B 58 -9.249 -18.458 15.403 1.00 0.74 C ATOM 0 H ILE B 58 -10.677 -17.329 12.564 1.00 0.65 H new ATOM 0 HA ILE B 58 -8.523 -16.140 13.924 1.00 0.62 H new ATOM 0 HB ILE B 58 -9.288 -18.688 12.785 1.00 0.63 H new ATOM 0 HG12 ILE B 58 -7.552 -19.481 14.540 1.00 0.67 H new ATOM 0 HG13 ILE B 58 -7.261 -17.787 14.881 1.00 0.67 H new ATOM 0 HG21 ILE B 58 -7.047 -19.590 12.206 1.00 0.61 H new ATOM 0 HG22 ILE B 58 -7.535 -18.293 11.090 1.00 0.61 H new ATOM 0 HG23 ILE B 58 -6.351 -17.961 12.376 1.00 0.61 H new ATOM 0 HD11 ILE B 58 -8.969 -18.712 16.425 1.00 0.74 H new ATOM 0 HD12 ILE B 58 -9.684 -17.459 15.384 1.00 0.74 H new ATOM 0 HD13 ILE B 58 -9.979 -19.179 15.037 1.00 0.74 H new ATOM 1982 N VAL B 59 -8.127 -16.297 10.676 1.00 0.51 N ATOM 1983 CA VAL B 59 -7.318 -15.788 9.564 1.00 0.44 C ATOM 1984 C VAL B 59 -7.460 -14.274 9.471 1.00 0.45 C ATOM 1985 O VAL B 59 -6.486 -13.579 9.269 1.00 0.42 O ATOM 1986 CB VAL B 59 -7.819 -16.443 8.299 1.00 0.43 C ATOM 1987 CG1 VAL B 59 -7.125 -15.835 7.115 1.00 0.37 C ATOM 1988 CG2 VAL B 59 -7.548 -17.944 8.340 1.00 0.47 C ATOM 0 H VAL B 59 -8.925 -16.869 10.400 1.00 0.51 H new ATOM 0 HA VAL B 59 -6.263 -16.018 9.716 1.00 0.44 H new ATOM 0 HB VAL B 59 -8.894 -16.283 8.215 1.00 0.43 H new ATOM 0 HG11 VAL B 59 -7.485 -16.306 6.201 1.00 0.37 H new ATOM 0 HG12 VAL B 59 -7.335 -14.766 7.079 1.00 0.37 H new ATOM 0 HG13 VAL B 59 -6.050 -15.990 7.204 1.00 0.37 H new ATOM 0 HG21 VAL B 59 -7.914 -18.405 7.422 1.00 0.47 H new ATOM 0 HG22 VAL B 59 -6.476 -18.118 8.431 1.00 0.47 H new ATOM 0 HG23 VAL B 59 -8.061 -18.383 9.196 1.00 0.47 H new ATOM 1998 N LYS B 60 -8.647 -13.747 9.666 1.00 0.51 N ATOM 1999 CA LYS B 60 -8.799 -12.262 9.650 1.00 0.54 C ATOM 2000 C LYS B 60 -7.831 -11.687 10.703 1.00 0.54 C ATOM 2001 O LYS B 60 -7.416 -10.543 10.638 1.00 0.55 O ATOM 2002 CB LYS B 60 -10.231 -11.884 10.021 1.00 0.61 C ATOM 2003 CG LYS B 60 -10.669 -10.672 9.199 1.00 0.73 C ATOM 2004 CD LYS B 60 -12.004 -10.147 9.732 1.00 0.93 C ATOM 2005 CE LYS B 60 -13.145 -10.652 8.846 1.00 1.10 C ATOM 2006 NZ LYS B 60 -14.269 -9.672 8.872 1.00 1.74 N ATOM 0 H LYS B 60 -9.504 -14.275 9.833 1.00 0.51 H new ATOM 0 HA LYS B 60 -8.579 -11.866 8.659 1.00 0.54 H new ATOM 0 HB2 LYS B 60 -10.900 -12.724 9.834 1.00 0.61 H new ATOM 0 HB3 LYS B 60 -10.294 -11.657 11.085 1.00 0.61 H new ATOM 0 HG2 LYS B 60 -9.911 -9.890 9.253 1.00 0.73 H new ATOM 0 HG3 LYS B 60 -10.768 -10.948 8.149 1.00 0.73 H new ATOM 0 HD2 LYS B 60 -12.153 -10.480 10.759 1.00 0.93 H new ATOM 0 HD3 LYS B 60 -11.997 -9.057 9.748 1.00 0.93 H new ATOM 0 HE2 LYS B 60 -12.792 -10.789 7.824 1.00 1.10 H new ATOM 0 HE3 LYS B 60 -13.489 -11.625 9.198 1.00 1.10 H new ATOM 0 HZ1 LYS B 60 -15.044 -10.016 8.270 1.00 1.74 H new ATOM 0 HZ2 LYS B 60 -14.612 -9.563 9.848 1.00 1.74 H new ATOM 0 HZ3 LYS B 60 -13.936 -8.753 8.517 1.00 1.74 H new ATOM 2020 N LYS B 61 -7.431 -12.528 11.635 1.00 0.54 N ATOM 2021 CA LYS B 61 -6.452 -12.151 12.677 1.00 0.54 C ATOM 2022 C LYS B 61 -5.108 -12.086 11.983 1.00 0.47 C ATOM 2023 O LYS B 61 -4.410 -11.109 12.051 1.00 0.48 O ATOM 2024 CB LYS B 61 -6.421 -13.263 13.720 1.00 0.56 C ATOM 2025 CG LYS B 61 -6.351 -12.664 15.120 1.00 0.61 C ATOM 2026 CD LYS B 61 -5.559 -13.600 16.033 1.00 0.84 C ATOM 2027 CE LYS B 61 -5.152 -12.853 17.306 1.00 0.87 C ATOM 2028 NZ LYS B 61 -5.153 -13.794 18.463 1.00 1.65 N ATOM 0 H LYS B 61 -7.763 -13.490 11.706 1.00 0.54 H new ATOM 0 HA LYS B 61 -6.699 -11.205 13.159 1.00 0.54 H new ATOM 0 HB2 LYS B 61 -7.311 -13.886 13.626 1.00 0.56 H new ATOM 0 HB3 LYS B 61 -5.560 -13.909 13.549 1.00 0.56 H new ATOM 0 HG2 LYS B 61 -5.875 -11.684 15.085 1.00 0.61 H new ATOM 0 HG3 LYS B 61 -7.356 -12.517 15.515 1.00 0.61 H new ATOM 0 HD2 LYS B 61 -6.162 -14.472 16.288 1.00 0.84 H new ATOM 0 HD3 LYS B 61 -4.673 -13.966 15.515 1.00 0.84 H new ATOM 0 HE2 LYS B 61 -4.161 -12.416 17.182 1.00 0.87 H new ATOM 0 HE3 LYS B 61 -5.842 -12.031 17.493 1.00 0.87 H new ATOM 0 HZ1 LYS B 61 -4.876 -13.284 19.326 1.00 1.65 H new ATOM 0 HZ2 LYS B 61 -6.106 -14.191 18.586 1.00 1.65 H new ATOM 0 HZ3 LYS B 61 -4.477 -14.564 18.285 1.00 1.65 H new ATOM 2042 N ILE B 62 -4.786 -13.141 11.278 1.00 0.42 N ATOM 2043 CA ILE B 62 -3.528 -13.221 10.495 1.00 0.35 C ATOM 2044 C ILE B 62 -3.264 -11.885 9.792 1.00 0.35 C ATOM 2045 O ILE B 62 -2.141 -11.425 9.742 1.00 0.33 O ATOM 2046 CB ILE B 62 -3.714 -14.367 9.476 1.00 0.31 C ATOM 2047 CG1 ILE B 62 -2.700 -15.480 9.723 1.00 0.28 C ATOM 2048 CG2 ILE B 62 -3.594 -13.867 8.038 1.00 0.27 C ATOM 2049 CD1 ILE B 62 -2.705 -15.828 11.207 1.00 0.33 C ATOM 0 H ILE B 62 -5.368 -13.976 11.215 1.00 0.42 H new ATOM 0 HA ILE B 62 -2.667 -13.420 11.134 1.00 0.35 H new ATOM 0 HB ILE B 62 -4.720 -14.763 9.616 1.00 0.31 H new ATOM 0 HG12 ILE B 62 -2.951 -16.358 9.128 1.00 0.28 H new ATOM 0 HG13 ILE B 62 -1.705 -15.160 9.414 1.00 0.28 H new ATOM 0 HG21 ILE B 62 -3.731 -14.701 7.350 1.00 0.27 H new ATOM 0 HG22 ILE B 62 -4.358 -13.113 7.850 1.00 0.27 H new ATOM 0 HG23 ILE B 62 -2.607 -13.429 7.886 1.00 0.27 H new ATOM 0 HD11 ILE B 62 -1.984 -16.623 11.397 1.00 0.33 H new ATOM 0 HD12 ILE B 62 -2.435 -14.946 11.788 1.00 0.33 H new ATOM 0 HD13 ILE B 62 -3.700 -16.164 11.499 1.00 0.33 H new ATOM 2061 N ILE B 63 -4.288 -11.249 9.274 1.00 0.39 N ATOM 2062 CA ILE B 63 -4.077 -9.931 8.606 1.00 0.42 C ATOM 2063 C ILE B 63 -3.754 -8.894 9.662 1.00 0.48 C ATOM 2064 O ILE B 63 -2.774 -8.179 9.578 1.00 0.50 O ATOM 2065 CB ILE B 63 -5.364 -9.492 7.920 1.00 0.45 C ATOM 2066 CG1 ILE B 63 -5.684 -10.454 6.793 1.00 0.40 C ATOM 2067 CG2 ILE B 63 -5.208 -8.071 7.373 1.00 0.50 C ATOM 2068 CD1 ILE B 63 -6.499 -11.598 7.358 1.00 0.41 C ATOM 0 H ILE B 63 -5.251 -11.584 9.286 1.00 0.39 H new ATOM 0 HA ILE B 63 -3.269 -10.025 7.880 1.00 0.42 H new ATOM 0 HB ILE B 63 -6.181 -9.498 8.642 1.00 0.45 H new ATOM 0 HG12 ILE B 63 -6.240 -9.945 6.006 1.00 0.40 H new ATOM 0 HG13 ILE B 63 -4.765 -10.829 6.342 1.00 0.40 H new ATOM 0 HG21 ILE B 63 -6.133 -7.766 6.884 1.00 0.50 H new ATOM 0 HG22 ILE B 63 -4.988 -7.388 8.193 1.00 0.50 H new ATOM 0 HG23 ILE B 63 -4.391 -8.046 6.652 1.00 0.50 H new ATOM 0 HD11 ILE B 63 -6.739 -12.302 6.561 1.00 0.41 H new ATOM 0 HD12 ILE B 63 -5.924 -12.108 8.131 1.00 0.41 H new ATOM 0 HD13 ILE B 63 -7.421 -11.209 7.789 1.00 0.41 H new ATOM 2080 N GLU B 64 -4.611 -8.801 10.638 1.00 0.53 N ATOM 2081 CA GLU B 64 -4.434 -7.794 11.712 1.00 0.61 C ATOM 2082 C GLU B 64 -3.126 -8.030 12.481 1.00 0.58 C ATOM 2083 O GLU B 64 -2.398 -7.101 12.770 1.00 0.64 O ATOM 2084 CB GLU B 64 -5.600 -7.892 12.687 1.00 0.67 C ATOM 2085 CG GLU B 64 -6.710 -6.930 12.259 1.00 0.86 C ATOM 2086 CD GLU B 64 -7.728 -6.786 13.393 1.00 1.34 C ATOM 2087 OE1 GLU B 64 -8.596 -7.638 13.497 1.00 1.95 O ATOM 2088 OE2 GLU B 64 -7.623 -5.826 14.139 1.00 1.97 O ATOM 0 H GLU B 64 -5.438 -9.390 10.736 1.00 0.53 H new ATOM 0 HA GLU B 64 -4.398 -6.806 11.253 1.00 0.61 H new ATOM 0 HB2 GLU B 64 -5.980 -8.913 12.713 1.00 0.67 H new ATOM 0 HB3 GLU B 64 -5.265 -7.651 13.696 1.00 0.67 H new ATOM 0 HG2 GLU B 64 -6.286 -5.957 12.011 1.00 0.86 H new ATOM 0 HG3 GLU B 64 -7.202 -7.302 11.360 1.00 0.86 H new ATOM 2095 N LYS B 65 -2.832 -9.263 12.824 1.00 0.53 N ATOM 2096 CA LYS B 65 -1.583 -9.561 13.583 1.00 0.51 C ATOM 2097 C LYS B 65 -0.382 -9.272 12.693 1.00 0.48 C ATOM 2098 O LYS B 65 0.553 -8.612 13.108 1.00 0.52 O ATOM 2099 CB LYS B 65 -1.585 -11.030 14.026 1.00 0.48 C ATOM 2100 CG LYS B 65 -0.214 -11.408 14.596 1.00 1.15 C ATOM 2101 CD LYS B 65 -0.295 -12.786 15.257 1.00 1.50 C ATOM 2102 CE LYS B 65 -0.578 -12.622 16.753 1.00 2.05 C ATOM 2103 NZ LYS B 65 -0.320 -13.912 17.454 1.00 2.49 N ATOM 0 H LYS B 65 -3.409 -10.076 12.608 1.00 0.53 H new ATOM 0 HA LYS B 65 -1.528 -8.933 14.472 1.00 0.51 H new ATOM 0 HB2 LYS B 65 -2.357 -11.190 14.778 1.00 0.48 H new ATOM 0 HB3 LYS B 65 -1.826 -11.673 13.180 1.00 0.48 H new ATOM 0 HG2 LYS B 65 0.531 -11.418 13.801 1.00 1.15 H new ATOM 0 HG3 LYS B 65 0.107 -10.663 15.324 1.00 1.15 H new ATOM 0 HD2 LYS B 65 -1.082 -13.379 14.791 1.00 1.50 H new ATOM 0 HD3 LYS B 65 0.640 -13.326 15.111 1.00 1.50 H new ATOM 0 HE2 LYS B 65 0.054 -11.837 17.169 1.00 2.05 H new ATOM 0 HE3 LYS B 65 -1.612 -12.313 16.906 1.00 2.05 H new ATOM 0 HZ1 LYS B 65 -0.512 -13.800 18.470 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -0.941 -14.649 17.064 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 0.673 -14.188 17.318 1.00 2.49 H new ATOM 2117 N MET B 66 -0.416 -9.720 11.464 1.00 0.44 N ATOM 2118 CA MET B 66 0.702 -9.417 10.536 1.00 0.44 C ATOM 2119 C MET B 66 0.832 -7.890 10.456 1.00 0.52 C ATOM 2120 O MET B 66 1.917 -7.346 10.370 1.00 0.56 O ATOM 2121 CB MET B 66 0.382 -9.982 9.156 1.00 0.40 C ATOM 2122 CG MET B 66 0.852 -11.439 9.075 1.00 0.32 C ATOM 2123 SD MET B 66 2.644 -11.471 8.828 1.00 0.95 S ATOM 2124 CE MET B 66 2.659 -10.865 7.123 1.00 0.28 C ATOM 0 H MET B 66 -1.170 -10.281 11.068 1.00 0.44 H new ATOM 0 HA MET B 66 1.633 -9.862 10.887 1.00 0.44 H new ATOM 0 HB2 MET B 66 -0.690 -9.924 8.968 1.00 0.40 H new ATOM 0 HB3 MET B 66 0.873 -9.388 8.386 1.00 0.40 H new ATOM 0 HG2 MET B 66 0.589 -11.970 9.990 1.00 0.32 H new ATOM 0 HG3 MET B 66 0.350 -11.951 8.254 1.00 0.32 H new ATOM 0 HE1 MET B 66 3.508 -11.295 6.591 1.00 0.28 H new ATOM 0 HE2 MET B 66 1.734 -11.156 6.625 1.00 0.28 H new ATOM 0 HE3 MET B 66 2.745 -9.778 7.124 1.00 0.28 H new ATOM 2134 N LEU B 67 -0.292 -7.206 10.519 1.00 0.56 N ATOM 2135 CA LEU B 67 -0.307 -5.723 10.488 1.00 0.64 C ATOM 2136 C LEU B 67 0.288 -5.170 11.791 1.00 0.70 C ATOM 2137 O LEU B 67 0.910 -4.124 11.797 1.00 0.77 O ATOM 2138 CB LEU B 67 -1.751 -5.245 10.380 1.00 0.67 C ATOM 2139 CG LEU B 67 -2.096 -4.977 8.921 1.00 0.68 C ATOM 2140 CD1 LEU B 67 -3.497 -5.508 8.653 1.00 0.65 C ATOM 2141 CD2 LEU B 67 -2.053 -3.470 8.648 1.00 0.79 C ATOM 0 H LEU B 67 -1.215 -7.634 10.592 1.00 0.56 H new ATOM 0 HA LEU B 67 0.278 -5.375 9.637 1.00 0.64 H new ATOM 0 HB2 LEU B 67 -2.425 -5.997 10.791 1.00 0.67 H new ATOM 0 HB3 LEU B 67 -1.889 -4.338 10.969 1.00 0.67 H new ATOM 0 HG LEU B 67 -1.377 -5.473 8.269 1.00 0.68 H new ATOM 0 HD11 LEU B 67 -3.762 -5.325 7.612 1.00 0.65 H new ATOM 0 HD12 LEU B 67 -3.524 -6.579 8.852 1.00 0.65 H new ATOM 0 HD13 LEU B 67 -4.209 -5.000 9.304 1.00 0.65 H new ATOM 0 HD21 LEU B 67 -2.300 -3.282 7.603 1.00 0.79 H new ATOM 0 HD22 LEU B 67 -2.775 -2.963 9.288 1.00 0.79 H new ATOM 0 HD23 LEU B 67 -1.053 -3.091 8.858 1.00 0.79 H new ATOM 2153 N ASN B 68 0.076 -5.853 12.901 1.00 0.69 N ATOM 2154 CA ASN B 68 0.615 -5.336 14.210 1.00 0.78 C ATOM 2155 C ASN B 68 2.156 -5.484 14.252 1.00 1.26 C ATOM 2156 O ASN B 68 2.857 -4.637 13.729 1.00 1.88 O ATOM 2157 CB ASN B 68 -0.071 -6.040 15.411 1.00 1.03 C ATOM 2158 CG ASN B 68 0.521 -5.516 16.726 1.00 1.68 C ATOM 2159 OD1 ASN B 68 0.760 -4.333 16.869 1.00 2.23 O ATOM 2160 ND2 ASN B 68 0.766 -6.350 17.701 1.00 2.36 N ATOM 0 H ASN B 68 -0.438 -6.732 12.957 1.00 0.69 H new ATOM 0 HA ASN B 68 0.382 -4.274 14.290 1.00 0.78 H new ATOM 0 HB2 ASN B 68 -1.145 -5.857 15.387 1.00 1.03 H new ATOM 0 HB3 ASN B 68 0.071 -7.119 15.342 1.00 1.03 H new ATOM 0 HD21 ASN B 68 1.157 -6.008 18.579 1.00 2.36 H new ATOM 0 HD22 ASN B 68 0.567 -7.344 17.584 1.00 2.36 H new ATOM 2167 N SER B 69 2.698 -6.527 14.860 1.00 1.92 N ATOM 2168 CA SER B 69 4.187 -6.691 14.919 1.00 2.70 C ATOM 2169 C SER B 69 4.831 -5.460 15.583 1.00 3.29 C ATOM 2170 O SER B 69 5.458 -4.644 14.929 1.00 3.77 O ATOM 2171 CB SER B 69 4.740 -6.872 13.499 1.00 3.16 C ATOM 2172 OG SER B 69 5.971 -7.582 13.560 1.00 3.69 O ATOM 0 H SER B 69 2.167 -7.269 15.316 1.00 1.92 H new ATOM 0 HA SER B 69 4.426 -7.573 15.514 1.00 2.70 H new ATOM 0 HB2 SER B 69 4.023 -7.416 12.884 1.00 3.16 H new ATOM 0 HB3 SER B 69 4.890 -5.900 13.029 1.00 3.16 H new ATOM 0 HG SER B 69 6.326 -7.700 12.654 1.00 3.69 H new ATOM 2178 N ASP B 70 4.682 -5.324 16.882 1.00 3.69 N ATOM 2179 CA ASP B 70 5.284 -4.152 17.596 1.00 4.63 C ATOM 2180 C ASP B 70 6.619 -4.560 18.240 1.00 5.11 C ATOM 2181 O ASP B 70 7.127 -5.642 18.003 1.00 5.33 O ATOM 2182 CB ASP B 70 4.311 -3.658 18.681 1.00 5.29 C ATOM 2183 CG ASP B 70 3.194 -2.800 18.058 1.00 5.65 C ATOM 2184 OD1 ASP B 70 3.358 -2.342 16.935 1.00 6.04 O ATOM 2185 OD2 ASP B 70 2.191 -2.608 18.725 1.00 5.89 O ATOM 0 H ASP B 70 4.169 -5.975 17.477 1.00 3.69 H new ATOM 0 HA ASP B 70 5.467 -3.350 16.881 1.00 4.63 H new ATOM 0 HB2 ASP B 70 3.875 -4.511 19.201 1.00 5.29 H new ATOM 0 HB3 ASP B 70 4.853 -3.074 19.425 1.00 5.29 H new ATOM 2190 N LYS B 71 7.194 -3.695 19.049 1.00 5.63 N ATOM 2191 CA LYS B 71 8.505 -4.022 19.708 1.00 6.35 C ATOM 2192 C LYS B 71 8.305 -5.171 20.698 1.00 6.44 C ATOM 2193 O LYS B 71 9.088 -6.102 20.744 1.00 7.01 O ATOM 2194 CB LYS B 71 9.067 -2.812 20.483 1.00 6.70 C ATOM 2195 CG LYS B 71 8.632 -1.487 19.849 1.00 7.36 C ATOM 2196 CD LYS B 71 7.647 -0.777 20.778 1.00 7.98 C ATOM 2197 CE LYS B 71 6.678 0.070 19.952 1.00 8.45 C ATOM 2198 NZ LYS B 71 5.918 0.983 20.855 1.00 9.23 N ATOM 0 H LYS B 71 6.812 -2.778 19.281 1.00 5.63 H new ATOM 0 HA LYS B 71 9.209 -4.299 18.924 1.00 6.35 H new ATOM 0 HB2 LYS B 71 8.726 -2.851 21.517 1.00 6.70 H new ATOM 0 HB3 LYS B 71 10.155 -2.866 20.504 1.00 6.70 H new ATOM 0 HG2 LYS B 71 9.501 -0.854 19.671 1.00 7.36 H new ATOM 0 HG3 LYS B 71 8.167 -1.670 18.880 1.00 7.36 H new ATOM 0 HD2 LYS B 71 7.094 -1.510 21.366 1.00 7.98 H new ATOM 0 HD3 LYS B 71 8.188 -0.145 21.483 1.00 7.98 H new ATOM 0 HE2 LYS B 71 7.227 0.650 19.210 1.00 8.45 H new ATOM 0 HE3 LYS B 71 5.989 -0.575 19.406 1.00 8.45 H new ATOM 0 HZ1 LYS B 71 5.259 1.559 20.292 1.00 9.23 H new ATOM 0 HZ2 LYS B 71 5.382 0.420 21.547 1.00 9.23 H new ATOM 0 HZ3 LYS B 71 6.582 1.607 21.356 1.00 9.23 H new ATOM 2212 N SER B 72 7.264 -5.097 21.498 1.00 6.23 N ATOM 2213 CA SER B 72 6.986 -6.166 22.511 1.00 6.75 C ATOM 2214 C SER B 72 8.094 -6.185 23.586 1.00 7.32 C ATOM 2215 O SER B 72 8.792 -5.190 23.718 1.00 7.68 O ATOM 2216 CB SER B 72 6.905 -7.528 21.804 1.00 6.72 C ATOM 2217 OG SER B 72 6.003 -8.370 22.508 1.00 7.09 O ATOM 2218 OXT SER B 72 8.216 -7.188 24.271 1.00 7.67 O ATOM 0 H SER B 72 6.589 -4.332 21.491 1.00 6.23 H new ATOM 0 HA SER B 72 6.035 -5.959 23.002 1.00 6.75 H new ATOM 0 HB2 SER B 72 6.570 -7.397 20.775 1.00 6.72 H new ATOM 0 HB3 SER B 72 7.892 -7.988 21.762 1.00 6.72 H new ATOM 0 HG SER B 72 5.948 -9.239 22.058 1.00 7.09 H new TER 2224 SER B 72 CONECT 127 521 CONECT 154 764 CONECT 521 127 CONECT 764 154 END