USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) HEADER CARDIOTOXIN 12-MAR-94 1CRE TITLE CARDIOTOXIN II FROM TAIWAN COBRA VENOM, NAJA NAJA ATRA: TITLE 2 STRUCTURE IN SOLUTION AND COMPARISION AMONG HOMOLOGOUS TITLE 3 CARDIOTOXINS COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARDIOTOXIN II; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; SOURCE 3 ORGANISM_COMMON: CHINESE COBRA; SOURCE 4 ORGANISM_TAXID: 8656 KEYWDS CARDIOTOXIN EXPDTA SOLUTION NMR AUTHOR R.BHASKARAN,C.C.HUANG,K.D.CHANG,C.YU REVDAT 5 24-FEB-09 1CRE 1 VERSN REVDAT 4 01-APR-03 1CRE 1 JRNL REVDAT 3 20-JUL-95 1CRE 1 COMPND REVDAT 2 15-JAN-95 1CRE 1 COMPND JRNL REVDAT 1 31-MAY-94 1CRE 0 JRNL AUTH R.BHASKARAN,C.C.HUANG,Y.C.TSAI,G.JAYARAMAN, JRNL AUTH 2 D.K.CHANG,C.YU JRNL TITL CARDIOTOXIN II FROM TAIWAN COBRA VENOM, NAJA NAJA JRNL TITL 2 ATRA. STRUCTURE IN SOLUTION AND COMPARISON AMONG JRNL TITL 3 HOMOLOGOUS CARDIOTOXINS. JRNL REF J.BIOL.CHEM. V. 269 23500 1994 JRNL REFN ISSN 0021-9258 JRNL PMID 8089116 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 1CRE 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ASP A 57 N CYS A 59 1.63 REMARK 500 N LYS A 2 O ASN A 60 1.63 REMARK 500 C LEU A 1 O ASN A 60 1.77 REMARK 500 CA LEU A 1 O ASN A 60 1.89 REMARK 500 O VAL A 7 CE1 PHE A 10 2.03 REMARK 500 REMARK 500 REMARK: NULL 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 LEU A 6 -144.42 66.33 REMARK 500 VAL A 7 -51.40 -126.13 REMARK 500 LEU A 9 -40.23 -134.42 REMARK 500 PHE A 10 177.72 59.90 REMARK 500 TYR A 11 -90.06 -140.94 REMARK 500 LYS A 12 -113.05 158.24 REMARK 500 ALA A 16 135.87 87.88 REMARK 500 ASN A 19 -23.09 -154.83 REMARK 500 PHE A 25 -166.11 -160.63 REMARK 500 SER A 28 -60.92 -158.16 REMARK 500 ASN A 29 -61.51 -123.75 REMARK 500 LEU A 30 59.50 -146.98 REMARK 500 THR A 31 72.12 54.56 REMARK 500 LYS A 44 164.41 70.59 REMARK 500 ASN A 45 -131.50 -157.57 REMARK 500 SER A 46 -130.38 178.74 REMARK 500 ALA A 47 -23.86 -144.23 REMARK 500 ASN A 55 42.05 -159.69 REMARK 500 THR A 56 94.22 -162.40 REMARK 500 ASP A 57 -133.29 63.78 REMARK 500 ARG A 58 -11.61 -14.14 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 36 0.16 SIDE_CHAIN REMARK 500 ARG A 58 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CRF RELATED DB: PDB DBREF 1CRE A 1 60 UNP P01442 CTX2_NAJAT 22 81 SEQRES 1 A 60 LEU LYS CYS ASN LYS LEU VAL PRO LEU PHE TYR LYS THR SEQRES 2 A 60 CYS PRO ALA GLY LYS ASN LEU CYS TYR LYS MET PHE MET SEQRES 3 A 60 VAL SER ASN LEU THR VAL PRO VAL LYS ARG GLY CYS ILE SEQRES 4 A 60 ASP VAL CYS PRO LYS ASN SER ALA LEU VAL LYS TYR VAL SEQRES 5 A 60 CYS CYS ASN THR ASP ARG CYS ASN SHEET 1 S1 2 LYS A 2 ASN A 4 0 SHEET 2 S1 2 TYR A 11 THR A 13 -1 SHEET 1 S2 3 LEU A 20 PHE A 25 0 SHEET 2 S2 3 LYS A 35 ILE A 39 -1 SHEET 3 S2 3 LYS A 50 CYS A 54 -1 SSBOND *** CYS A 3 CYS A 21 1555 1555 2.02 SSBOND *** CYS A 14 CYS A 38 1555 1555 2.02 SSBOND *** CYS A 42 CYS A 53 1555 1555 2.02 SSBOND *** CYS A 54 CYS A 59 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: A 55 ASN : amide:sc= -15! C(o=-16!,f=-9.2!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 1 LEU N :NH3+ -166:sc= -1.95! (180deg=-2.63!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.12! C(o=-2.1!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.61! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.6!) USER MOD Single : A 22 TYR OH : rot 33:sc= -3.54! USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= -0.358 (180deg=-1.96!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00286 USER MOD Single : A 60 ASN : amide:sc= -32.1! C(o=-32!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.321 -0.126 -5.153 1.00 1.23 N ATOM 2 CA LEU A 1 11.724 -0.618 -3.880 1.00 0.63 C ATOM 3 C LEU A 1 11.486 0.565 -2.927 1.00 0.52 C ATOM 4 O LEU A 1 11.597 0.435 -1.724 1.00 0.49 O ATOM 5 CB LEU A 1 12.681 -1.625 -3.231 1.00 1.19 C ATOM 6 CG LEU A 1 13.590 -2.242 -4.299 1.00 1.55 C ATOM 7 CD1 LEU A 1 14.982 -2.465 -3.705 1.00 2.28 C ATOM 8 CD2 LEU A 1 13.010 -3.586 -4.750 1.00 2.35 C ATOM 0 H1 LEU A 1 12.263 -0.872 -5.875 1.00 1.23 H new ATOM 0 H2 LEU A 1 11.800 0.713 -5.479 1.00 1.23 H new ATOM 0 H3 LEU A 1 13.318 0.125 -4.995 1.00 1.23 H new ATOM 0 HA LEU A 1 10.770 -1.103 -4.087 1.00 0.63 H new ATOM 0 HB2 LEU A 1 13.284 -1.129 -2.470 1.00 1.19 H new ATOM 0 HB3 LEU A 1 12.113 -2.408 -2.728 1.00 1.19 H new ATOM 0 HG LEU A 1 13.657 -1.570 -5.155 1.00 1.55 H new ATOM 0 HD11 LEU A 1 15.634 -2.904 -4.460 1.00 2.28 H new ATOM 0 HD12 LEU A 1 15.396 -1.511 -3.379 1.00 2.28 H new ATOM 0 HD13 LEU A 1 14.910 -3.139 -2.852 1.00 2.28 H new ATOM 0 HD21 LEU A 1 13.657 -4.025 -5.510 1.00 2.35 H new ATOM 0 HD22 LEU A 1 12.945 -4.260 -3.895 1.00 2.35 H new ATOM 0 HD23 LEU A 1 12.015 -3.431 -5.166 1.00 2.35 H new ATOM 22 N LYS A 2 11.159 1.720 -3.454 1.00 0.57 N ATOM 23 CA LYS A 2 10.915 2.907 -2.577 1.00 0.59 C ATOM 24 C LYS A 2 9.399 3.103 -2.379 1.00 0.53 C ATOM 25 O LYS A 2 8.715 3.605 -3.248 1.00 0.69 O ATOM 26 CB LYS A 2 11.514 4.154 -3.247 1.00 0.87 C ATOM 27 CG LYS A 2 13.030 4.188 -3.021 1.00 1.37 C ATOM 28 CD LYS A 2 13.679 5.215 -3.962 1.00 1.97 C ATOM 29 CE LYS A 2 12.596 5.956 -4.747 1.00 2.36 C ATOM 30 NZ LYS A 2 12.989 7.387 -4.914 1.00 3.04 N ATOM 0 H LYS A 2 11.051 1.892 -4.454 1.00 0.57 H new ATOM 0 HA LYS A 2 11.383 2.749 -1.605 1.00 0.59 H new ATOM 0 HB2 LYS A 2 11.297 4.144 -4.315 1.00 0.87 H new ATOM 0 HB3 LYS A 2 11.056 5.054 -2.837 1.00 0.87 H new ATOM 0 HG2 LYS A 2 13.246 4.446 -1.984 1.00 1.37 H new ATOM 0 HG3 LYS A 2 13.455 3.200 -3.199 1.00 1.37 H new ATOM 0 HD2 LYS A 2 14.273 5.925 -3.386 1.00 1.97 H new ATOM 0 HD3 LYS A 2 14.360 4.713 -4.649 1.00 1.97 H new ATOM 0 HE2 LYS A 2 12.457 5.490 -5.723 1.00 2.36 H new ATOM 0 HE3 LYS A 2 11.643 5.889 -4.223 1.00 2.36 H new ATOM 0 HZ1 LYS A 2 12.251 7.890 -5.448 1.00 3.04 H new ATOM 0 HZ2 LYS A 2 13.100 7.828 -3.979 1.00 3.04 H new ATOM 0 HZ3 LYS A 2 13.889 7.442 -5.432 1.00 3.04 H new ATOM 44 N CYS A 3 8.868 2.708 -1.246 1.00 0.46 N ATOM 45 CA CYS A 3 7.397 2.870 -1.008 1.00 0.49 C ATOM 46 C CYS A 3 7.152 3.979 0.027 1.00 0.47 C ATOM 47 O CYS A 3 8.072 4.629 0.474 1.00 0.67 O ATOM 48 CB CYS A 3 6.828 1.550 -0.483 1.00 0.59 C ATOM 49 SG CYS A 3 6.549 0.422 -1.870 1.00 1.05 S ATOM 0 H CYS A 3 9.387 2.282 -0.478 1.00 0.46 H new ATOM 0 HA CYS A 3 6.906 3.141 -1.943 1.00 0.49 H new ATOM 0 HB2 CYS A 3 7.519 1.102 0.231 1.00 0.59 H new ATOM 0 HB3 CYS A 3 5.893 1.730 0.048 1.00 0.59 H new ATOM 54 N ASN A 4 5.918 4.195 0.418 1.00 0.47 N ATOM 55 CA ASN A 4 5.631 5.256 1.435 1.00 0.49 C ATOM 56 C ASN A 4 4.735 4.679 2.532 1.00 0.49 C ATOM 57 O ASN A 4 3.926 3.805 2.288 1.00 0.57 O ATOM 58 CB ASN A 4 4.926 6.455 0.783 1.00 0.60 C ATOM 59 CG ASN A 4 4.201 6.018 -0.491 1.00 1.09 C ATOM 60 OD1 ASN A 4 4.361 4.905 -0.946 1.00 1.76 O ATOM 61 ND2 ASN A 4 3.402 6.860 -1.087 1.00 1.73 N ATOM 0 H ASN A 4 5.102 3.686 0.079 1.00 0.47 H new ATOM 0 HA ASN A 4 6.575 5.594 1.863 1.00 0.49 H new ATOM 0 HB2 ASN A 4 4.214 6.891 1.483 1.00 0.60 H new ATOM 0 HB3 ASN A 4 5.655 7.230 0.547 1.00 0.60 H new ATOM 0 HD21 ASN A 4 2.911 6.583 -1.937 1.00 1.73 H new ATOM 0 HD22 ASN A 4 3.269 7.796 -0.703 1.00 1.73 H new ATOM 68 N LYS A 5 4.867 5.159 3.740 1.00 0.51 N ATOM 69 CA LYS A 5 4.018 4.629 4.844 1.00 0.58 C ATOM 70 C LYS A 5 2.834 5.571 5.068 1.00 0.59 C ATOM 71 O LYS A 5 3.001 6.729 5.393 1.00 0.94 O ATOM 72 CB LYS A 5 4.838 4.525 6.134 1.00 0.68 C ATOM 73 CG LYS A 5 4.352 3.316 6.939 1.00 0.98 C ATOM 74 CD LYS A 5 4.549 3.569 8.435 1.00 1.32 C ATOM 75 CE LYS A 5 5.110 2.304 9.089 1.00 2.00 C ATOM 76 NZ LYS A 5 4.639 2.210 10.502 1.00 2.53 N ATOM 0 H LYS A 5 5.523 5.892 4.008 1.00 0.51 H new ATOM 0 HA LYS A 5 3.655 3.638 4.572 1.00 0.58 H new ATOM 0 HB2 LYS A 5 5.897 4.420 5.899 1.00 0.68 H new ATOM 0 HB3 LYS A 5 4.731 5.436 6.722 1.00 0.68 H new ATOM 0 HG2 LYS A 5 3.299 3.129 6.729 1.00 0.98 H new ATOM 0 HG3 LYS A 5 4.901 2.424 6.637 1.00 0.98 H new ATOM 0 HD2 LYS A 5 5.231 4.405 8.588 1.00 1.32 H new ATOM 0 HD3 LYS A 5 3.601 3.842 8.898 1.00 1.32 H new ATOM 0 HE2 LYS A 5 4.791 1.424 8.531 1.00 2.00 H new ATOM 0 HE3 LYS A 5 6.199 2.322 9.060 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 5.024 1.349 10.940 1.00 2.53 H new ATOM 0 HZ2 LYS A 5 4.965 3.043 11.033 1.00 2.53 H new ATOM 0 HZ3 LYS A 5 3.600 2.173 10.520 1.00 2.53 H new ATOM 90 N LEU A 6 1.639 5.082 4.881 1.00 0.71 N ATOM 91 CA LEU A 6 0.440 5.944 5.064 1.00 0.76 C ATOM 92 C LEU A 6 0.444 7.027 3.985 1.00 0.76 C ATOM 93 O LEU A 6 0.853 6.792 2.864 1.00 1.31 O ATOM 94 CB LEU A 6 0.468 6.590 6.453 1.00 0.76 C ATOM 95 CG LEU A 6 -0.077 5.597 7.485 1.00 1.23 C ATOM 96 CD1 LEU A 6 0.810 5.609 8.733 1.00 1.96 C ATOM 97 CD2 LEU A 6 -1.508 5.992 7.870 1.00 1.49 C ATOM 0 H LEU A 6 1.442 4.119 4.608 1.00 0.71 H new ATOM 0 HA LEU A 6 -0.464 5.342 4.979 1.00 0.76 H new ATOM 0 HB2 LEU A 6 1.487 6.879 6.712 1.00 0.76 H new ATOM 0 HB3 LEU A 6 -0.132 7.500 6.455 1.00 0.76 H new ATOM 0 HG LEU A 6 -0.079 4.596 7.055 1.00 1.23 H new ATOM 0 HD11 LEU A 6 0.419 4.902 9.464 1.00 1.96 H new ATOM 0 HD12 LEU A 6 1.826 5.324 8.460 1.00 1.96 H new ATOM 0 HD13 LEU A 6 0.817 6.610 9.165 1.00 1.96 H new ATOM 0 HD21 LEU A 6 -1.895 5.286 8.604 1.00 1.49 H new ATOM 0 HD22 LEU A 6 -1.506 6.995 8.297 1.00 1.49 H new ATOM 0 HD23 LEU A 6 -2.141 5.977 6.983 1.00 1.49 H new ATOM 109 N VAL A 7 -0.002 8.212 4.305 1.00 0.71 N ATOM 110 CA VAL A 7 -0.012 9.296 3.281 1.00 0.69 C ATOM 111 C VAL A 7 0.726 10.527 3.817 1.00 0.70 C ATOM 112 O VAL A 7 1.603 11.053 3.161 1.00 0.79 O ATOM 113 CB VAL A 7 -1.455 9.670 2.930 1.00 0.81 C ATOM 114 CG1 VAL A 7 -1.862 8.943 1.648 1.00 1.48 C ATOM 115 CG2 VAL A 7 -2.391 9.250 4.065 1.00 1.03 C ATOM 0 H VAL A 7 -0.357 8.475 5.224 1.00 0.71 H new ATOM 0 HA VAL A 7 0.493 8.939 2.383 1.00 0.69 H new ATOM 0 HB VAL A 7 -1.525 10.748 2.786 1.00 0.81 H new ATOM 0 HG11 VAL A 7 -2.889 9.204 1.392 1.00 1.48 H new ATOM 0 HG12 VAL A 7 -1.199 9.239 0.835 1.00 1.48 H new ATOM 0 HG13 VAL A 7 -1.789 7.866 1.802 1.00 1.48 H new ATOM 0 HG21 VAL A 7 -3.416 9.519 3.810 1.00 1.03 H new ATOM 0 HG22 VAL A 7 -2.324 8.172 4.212 1.00 1.03 H new ATOM 0 HG23 VAL A 7 -2.101 9.760 4.984 1.00 1.03 H new ATOM 125 N PRO A 8 0.346 10.951 4.991 1.00 0.74 N ATOM 126 CA PRO A 8 0.955 12.121 5.644 1.00 0.86 C ATOM 127 C PRO A 8 2.301 11.743 6.268 1.00 0.81 C ATOM 128 O PRO A 8 2.843 12.462 7.085 1.00 1.31 O ATOM 129 CB PRO A 8 -0.066 12.504 6.718 1.00 1.01 C ATOM 130 CG PRO A 8 -0.905 11.233 6.996 1.00 0.98 C ATOM 131 CD PRO A 8 -0.723 10.306 5.777 1.00 0.81 C ATOM 0 HA PRO A 8 1.164 12.940 4.955 1.00 0.86 H new ATOM 0 HB2 PRO A 8 0.434 12.846 7.625 1.00 1.01 H new ATOM 0 HB3 PRO A 8 -0.701 13.322 6.376 1.00 1.01 H new ATOM 0 HG2 PRO A 8 -0.571 10.741 7.910 1.00 0.98 H new ATOM 0 HG3 PRO A 8 -1.956 11.486 7.136 1.00 0.98 H new ATOM 0 HD2 PRO A 8 -0.441 9.298 6.081 1.00 0.81 H new ATOM 0 HD3 PRO A 8 -1.644 10.219 5.201 1.00 0.81 H new ATOM 139 N LEU A 9 2.845 10.619 5.884 1.00 0.92 N ATOM 140 CA LEU A 9 4.157 10.196 6.449 1.00 0.96 C ATOM 141 C LEU A 9 5.080 9.705 5.326 1.00 0.84 C ATOM 142 O LEU A 9 6.264 9.975 5.329 1.00 0.99 O ATOM 143 CB LEU A 9 3.944 9.065 7.458 1.00 1.04 C ATOM 144 CG LEU A 9 5.047 9.115 8.520 1.00 1.53 C ATOM 145 CD1 LEU A 9 4.659 10.116 9.611 1.00 2.20 C ATOM 146 CD2 LEU A 9 5.224 7.727 9.142 1.00 2.39 C ATOM 0 H LEU A 9 2.437 9.977 5.204 1.00 0.92 H new ATOM 0 HA LEU A 9 4.618 11.049 6.947 1.00 0.96 H new ATOM 0 HB2 LEU A 9 2.966 9.163 7.929 1.00 1.04 H new ATOM 0 HB3 LEU A 9 3.958 8.101 6.949 1.00 1.04 H new ATOM 0 HG LEU A 9 5.983 9.426 8.056 1.00 1.53 H new ATOM 0 HD11 LEU A 9 5.443 10.152 10.367 1.00 2.20 H new ATOM 0 HD12 LEU A 9 4.534 11.105 9.170 1.00 2.20 H new ATOM 0 HD13 LEU A 9 3.723 9.805 10.074 1.00 2.20 H new ATOM 0 HD21 LEU A 9 6.009 7.764 9.897 1.00 2.39 H new ATOM 0 HD22 LEU A 9 4.289 7.414 9.606 1.00 2.39 H new ATOM 0 HD23 LEU A 9 5.501 7.013 8.366 1.00 2.39 H new ATOM 158 N PHE A 10 4.558 8.977 4.369 1.00 0.64 N ATOM 159 CA PHE A 10 5.429 8.469 3.265 1.00 0.58 C ATOM 160 C PHE A 10 6.523 7.587 3.878 1.00 0.59 C ATOM 161 O PHE A 10 6.593 7.437 5.081 1.00 0.63 O ATOM 162 CB PHE A 10 6.070 9.651 2.535 1.00 0.79 C ATOM 163 CG PHE A 10 5.000 10.474 1.850 1.00 1.01 C ATOM 164 CD1 PHE A 10 3.644 10.198 2.073 1.00 1.92 C ATOM 165 CD2 PHE A 10 5.370 11.513 0.989 1.00 1.38 C ATOM 166 CE1 PHE A 10 2.658 10.966 1.432 1.00 2.25 C ATOM 167 CE2 PHE A 10 4.387 12.279 0.350 1.00 1.62 C ATOM 168 CZ PHE A 10 3.031 12.006 0.572 1.00 1.76 C ATOM 0 H PHE A 10 3.574 8.715 4.305 1.00 0.64 H new ATOM 0 HA PHE A 10 4.838 7.892 2.554 1.00 0.58 H new ATOM 0 HB2 PHE A 10 6.621 10.271 3.242 1.00 0.79 H new ATOM 0 HB3 PHE A 10 6.789 9.289 1.800 1.00 0.79 H new ATOM 0 HD1 PHE A 10 3.358 9.396 2.737 1.00 1.92 H new ATOM 0 HD2 PHE A 10 6.415 11.725 0.817 1.00 1.38 H new ATOM 0 HE1 PHE A 10 1.613 10.754 1.602 1.00 2.25 H new ATOM 0 HE2 PHE A 10 4.674 13.081 -0.314 1.00 1.62 H new ATOM 0 HZ PHE A 10 2.273 12.598 0.080 1.00 1.76 H new ATOM 178 N TYR A 11 7.381 6.994 3.083 1.00 0.62 N ATOM 179 CA TYR A 11 8.443 6.136 3.689 1.00 0.73 C ATOM 180 C TYR A 11 9.781 6.303 2.963 1.00 0.82 C ATOM 181 O TYR A 11 10.597 7.119 3.340 1.00 1.30 O ATOM 182 CB TYR A 11 8.023 4.664 3.652 1.00 0.66 C ATOM 183 CG TYR A 11 8.486 3.997 4.927 1.00 0.92 C ATOM 184 CD1 TYR A 11 8.047 4.483 6.164 1.00 1.85 C ATOM 185 CD2 TYR A 11 9.362 2.903 4.876 1.00 1.34 C ATOM 186 CE1 TYR A 11 8.480 3.878 7.349 1.00 2.21 C ATOM 187 CE2 TYR A 11 9.796 2.299 6.064 1.00 1.70 C ATOM 188 CZ TYR A 11 9.355 2.787 7.300 1.00 1.85 C ATOM 189 OH TYR A 11 9.784 2.194 8.470 1.00 2.35 O ATOM 0 H TYR A 11 7.393 7.064 2.066 1.00 0.62 H new ATOM 0 HA TYR A 11 8.571 6.454 4.724 1.00 0.73 H new ATOM 0 HB2 TYR A 11 6.941 4.582 3.554 1.00 0.66 H new ATOM 0 HB3 TYR A 11 8.460 4.168 2.785 1.00 0.66 H new ATOM 0 HD1 TYR A 11 7.373 5.326 6.204 1.00 1.85 H new ATOM 0 HD2 TYR A 11 9.702 2.526 3.923 1.00 1.34 H new ATOM 0 HE1 TYR A 11 8.139 4.253 8.302 1.00 2.21 H new ATOM 0 HE2 TYR A 11 10.471 1.457 6.026 1.00 1.70 H new ATOM 0 HH TYR A 11 10.386 1.450 8.258 1.00 2.35 H new ATOM 199 N LYS A 12 10.041 5.516 1.955 1.00 0.64 N ATOM 200 CA LYS A 12 11.357 5.634 1.266 1.00 0.73 C ATOM 201 C LYS A 12 11.674 4.335 0.522 1.00 0.66 C ATOM 202 O LYS A 12 11.025 3.963 -0.436 1.00 0.88 O ATOM 203 CB LYS A 12 12.432 5.826 2.336 1.00 0.90 C ATOM 204 CG LYS A 12 13.028 7.232 2.280 1.00 1.93 C ATOM 205 CD LYS A 12 14.084 7.346 3.386 1.00 2.54 C ATOM 206 CE LYS A 12 14.865 8.654 3.244 1.00 3.02 C ATOM 207 NZ LYS A 12 15.799 8.788 4.399 1.00 3.69 N ATOM 0 H LYS A 12 9.410 4.806 1.583 1.00 0.64 H new ATOM 0 HA LYS A 12 11.329 6.467 0.564 1.00 0.73 H new ATOM 0 HB2 LYS A 12 12.002 5.650 3.322 1.00 0.90 H new ATOM 0 HB3 LYS A 12 13.222 5.088 2.197 1.00 0.90 H new ATOM 0 HG2 LYS A 12 13.477 7.416 1.304 1.00 1.93 H new ATOM 0 HG3 LYS A 12 12.249 7.982 2.419 1.00 1.93 H new ATOM 0 HD2 LYS A 12 13.602 7.307 4.363 1.00 2.54 H new ATOM 0 HD3 LYS A 12 14.768 6.499 3.333 1.00 2.54 H new ATOM 0 HE2 LYS A 12 15.421 8.661 2.307 1.00 3.02 H new ATOM 0 HE3 LYS A 12 14.179 9.501 3.214 1.00 3.02 H new ATOM 0 HZ1 LYS A 12 16.335 9.675 4.311 1.00 3.69 H new ATOM 0 HZ2 LYS A 12 15.255 8.798 5.286 1.00 3.69 H new ATOM 0 HZ3 LYS A 12 16.459 7.984 4.407 1.00 3.69 H new ATOM 221 N THR A 13 12.686 3.651 0.984 1.00 0.55 N ATOM 222 CA THR A 13 13.106 2.366 0.361 1.00 0.52 C ATOM 223 C THR A 13 13.069 1.278 1.433 1.00 0.44 C ATOM 224 O THR A 13 13.693 1.401 2.469 1.00 0.49 O ATOM 225 CB THR A 13 14.537 2.513 -0.159 1.00 0.64 C ATOM 226 OG1 THR A 13 14.694 3.797 -0.744 1.00 1.54 O ATOM 227 CG2 THR A 13 14.823 1.435 -1.203 1.00 1.48 C ATOM 0 H THR A 13 13.250 3.937 1.784 1.00 0.55 H new ATOM 0 HA THR A 13 12.442 2.105 -0.463 1.00 0.52 H new ATOM 0 HB THR A 13 15.236 2.400 0.669 1.00 0.64 H new ATOM 0 HG1 THR A 13 15.611 3.895 -1.077 1.00 1.54 H new ATOM 0 HG21 THR A 13 15.844 1.545 -1.569 1.00 1.48 H new ATOM 0 HG22 THR A 13 14.704 0.450 -0.751 1.00 1.48 H new ATOM 0 HG23 THR A 13 14.126 1.539 -2.034 1.00 1.48 H new ATOM 235 N CYS A 14 12.345 0.217 1.212 1.00 0.44 N ATOM 236 CA CYS A 14 12.285 -0.852 2.248 1.00 0.46 C ATOM 237 C CYS A 14 12.684 -2.202 1.645 1.00 0.50 C ATOM 238 O CYS A 14 11.892 -3.123 1.603 1.00 0.53 O ATOM 239 CB CYS A 14 10.867 -0.937 2.814 1.00 0.48 C ATOM 240 SG CYS A 14 9.667 -0.529 1.526 1.00 0.42 S ATOM 0 H CYS A 14 11.798 0.044 0.369 1.00 0.44 H new ATOM 0 HA CYS A 14 12.983 -0.607 3.049 1.00 0.46 H new ATOM 0 HB2 CYS A 14 10.678 -1.940 3.195 1.00 0.48 H new ATOM 0 HB3 CYS A 14 10.759 -0.251 3.654 1.00 0.48 H new ATOM 245 N PRO A 15 13.913 -2.274 1.210 1.00 0.60 N ATOM 246 CA PRO A 15 14.483 -3.494 0.608 1.00 0.75 C ATOM 247 C PRO A 15 14.866 -4.504 1.700 1.00 0.87 C ATOM 248 O PRO A 15 15.205 -4.136 2.808 1.00 1.19 O ATOM 249 CB PRO A 15 15.728 -2.981 -0.123 1.00 0.91 C ATOM 250 CG PRO A 15 16.110 -1.639 0.549 1.00 0.89 C ATOM 251 CD PRO A 15 14.849 -1.135 1.275 1.00 0.68 C ATOM 0 HA PRO A 15 13.788 -4.013 -0.052 1.00 0.75 H new ATOM 0 HB2 PRO A 15 16.545 -3.699 -0.048 1.00 0.91 H new ATOM 0 HB3 PRO A 15 15.524 -2.839 -1.184 1.00 0.91 H new ATOM 0 HG2 PRO A 15 16.932 -1.778 1.251 1.00 0.89 H new ATOM 0 HG3 PRO A 15 16.444 -0.915 -0.194 1.00 0.89 H new ATOM 0 HD2 PRO A 15 15.067 -0.858 2.306 1.00 0.68 H new ATOM 0 HD3 PRO A 15 14.436 -0.252 0.788 1.00 0.68 H new ATOM 259 N ALA A 16 14.813 -5.774 1.394 1.00 1.17 N ATOM 260 CA ALA A 16 15.170 -6.811 2.408 1.00 1.34 C ATOM 261 C ALA A 16 13.931 -7.177 3.227 1.00 1.04 C ATOM 262 O ALA A 16 13.173 -6.323 3.646 1.00 1.32 O ATOM 263 CB ALA A 16 16.256 -6.271 3.342 1.00 1.90 C ATOM 0 H ALA A 16 14.537 -6.139 0.482 1.00 1.17 H new ATOM 0 HA ALA A 16 15.543 -7.698 1.896 1.00 1.34 H new ATOM 0 HB1 ALA A 16 16.513 -7.031 4.080 1.00 1.90 H new ATOM 0 HB2 ALA A 16 17.142 -6.016 2.761 1.00 1.90 H new ATOM 0 HB3 ALA A 16 15.888 -5.381 3.852 1.00 1.90 H new ATOM 269 N GLY A 17 13.719 -8.445 3.457 1.00 1.31 N ATOM 270 CA GLY A 17 12.531 -8.876 4.247 1.00 1.34 C ATOM 271 C GLY A 17 11.278 -8.813 3.369 1.00 1.02 C ATOM 272 O GLY A 17 10.562 -9.783 3.224 1.00 1.56 O ATOM 0 H GLY A 17 14.319 -9.202 3.131 1.00 1.31 H new ATOM 0 HA2 GLY A 17 12.677 -9.891 4.617 1.00 1.34 H new ATOM 0 HA3 GLY A 17 12.409 -8.233 5.119 1.00 1.34 H new ATOM 276 N LYS A 18 11.005 -7.675 2.788 1.00 0.90 N ATOM 277 CA LYS A 18 9.793 -7.544 1.925 1.00 0.89 C ATOM 278 C LYS A 18 10.189 -7.650 0.450 1.00 1.00 C ATOM 279 O LYS A 18 11.331 -7.909 0.123 1.00 1.60 O ATOM 280 CB LYS A 18 9.138 -6.186 2.176 1.00 1.31 C ATOM 281 CG LYS A 18 8.320 -6.248 3.464 1.00 1.67 C ATOM 282 CD LYS A 18 9.043 -5.457 4.552 1.00 1.98 C ATOM 283 CE LYS A 18 9.112 -6.287 5.833 1.00 2.35 C ATOM 284 NZ LYS A 18 8.832 -5.406 7.000 1.00 2.68 N ATOM 0 H LYS A 18 11.569 -6.829 2.873 1.00 0.90 H new ATOM 0 HA LYS A 18 9.092 -8.343 2.167 1.00 0.89 H new ATOM 0 HB2 LYS A 18 9.900 -5.411 2.253 1.00 1.31 H new ATOM 0 HB3 LYS A 18 8.496 -5.919 1.337 1.00 1.31 H new ATOM 0 HG2 LYS A 18 7.325 -5.836 3.298 1.00 1.67 H new ATOM 0 HG3 LYS A 18 8.188 -7.284 3.777 1.00 1.67 H new ATOM 0 HD2 LYS A 18 10.049 -5.199 4.220 1.00 1.98 H new ATOM 0 HD3 LYS A 18 8.520 -4.520 4.742 1.00 1.98 H new ATOM 0 HE2 LYS A 18 8.387 -7.100 5.794 1.00 2.35 H new ATOM 0 HE3 LYS A 18 10.097 -6.742 5.933 1.00 2.35 H new ATOM 0 HZ1 LYS A 18 8.877 -5.965 7.876 1.00 2.68 H new ATOM 0 HZ2 LYS A 18 9.540 -4.645 7.038 1.00 2.68 H new ATOM 0 HZ3 LYS A 18 7.883 -4.992 6.903 1.00 2.68 H new ATOM 298 N ASN A 19 9.255 -7.454 -0.446 1.00 0.75 N ATOM 299 CA ASN A 19 9.592 -7.553 -1.895 1.00 1.11 C ATOM 300 C ASN A 19 8.615 -6.720 -2.739 1.00 0.84 C ATOM 301 O ASN A 19 8.930 -6.329 -3.845 1.00 0.93 O ATOM 302 CB ASN A 19 9.519 -9.019 -2.327 1.00 1.62 C ATOM 303 CG ASN A 19 10.520 -9.274 -3.455 1.00 2.23 C ATOM 304 OD1 ASN A 19 11.587 -8.695 -3.480 1.00 2.34 O ATOM 305 ND2 ASN A 19 10.218 -10.127 -4.394 1.00 3.02 N ATOM 0 H ASN A 19 8.282 -7.232 -0.238 1.00 0.75 H new ATOM 0 HA ASN A 19 10.599 -7.166 -2.050 1.00 1.11 H new ATOM 0 HB2 ASN A 19 9.738 -9.669 -1.480 1.00 1.62 H new ATOM 0 HB3 ASN A 19 8.510 -9.260 -2.662 1.00 1.62 H new ATOM 0 HD21 ASN A 19 10.878 -10.308 -5.150 1.00 3.02 H new ATOM 0 HD22 ASN A 19 9.322 -10.613 -4.372 1.00 3.02 H new ATOM 312 N LEU A 20 7.435 -6.445 -2.245 1.00 0.65 N ATOM 313 CA LEU A 20 6.472 -5.640 -3.058 1.00 0.49 C ATOM 314 C LEU A 20 5.838 -4.540 -2.207 1.00 0.42 C ATOM 315 O LEU A 20 6.054 -4.450 -1.014 1.00 0.49 O ATOM 316 CB LEU A 20 5.353 -6.543 -3.586 1.00 0.58 C ATOM 317 CG LEU A 20 5.945 -7.641 -4.463 1.00 0.76 C ATOM 318 CD1 LEU A 20 5.768 -8.990 -3.767 1.00 1.31 C ATOM 319 CD2 LEU A 20 5.217 -7.666 -5.808 1.00 1.25 C ATOM 0 H LEU A 20 7.099 -6.738 -1.327 1.00 0.65 H new ATOM 0 HA LEU A 20 7.022 -5.193 -3.886 1.00 0.49 H new ATOM 0 HB2 LEU A 20 4.807 -6.985 -2.753 1.00 0.58 H new ATOM 0 HB3 LEU A 20 4.637 -5.953 -4.159 1.00 0.58 H new ATOM 0 HG LEU A 20 7.005 -7.447 -4.627 1.00 0.76 H new ATOM 0 HD11 LEU A 20 6.190 -9.779 -4.390 1.00 1.31 H new ATOM 0 HD12 LEU A 20 6.281 -8.973 -2.806 1.00 1.31 H new ATOM 0 HD13 LEU A 20 4.707 -9.181 -3.608 1.00 1.31 H new ATOM 0 HD21 LEU A 20 5.639 -8.451 -6.436 1.00 1.25 H new ATOM 0 HD22 LEU A 20 4.157 -7.863 -5.645 1.00 1.25 H new ATOM 0 HD23 LEU A 20 5.335 -6.702 -6.303 1.00 1.25 H new ATOM 331 N CYS A 21 5.030 -3.720 -2.821 1.00 0.38 N ATOM 332 CA CYS A 21 4.337 -2.639 -2.076 1.00 0.36 C ATOM 333 C CYS A 21 2.903 -3.107 -1.821 1.00 0.40 C ATOM 334 O CYS A 21 2.440 -4.046 -2.438 1.00 0.71 O ATOM 335 CB CYS A 21 4.333 -1.358 -2.913 1.00 0.40 C ATOM 336 SG CYS A 21 4.560 0.074 -1.829 1.00 0.47 S ATOM 0 H CYS A 21 4.820 -3.756 -3.819 1.00 0.38 H new ATOM 0 HA CYS A 21 4.843 -2.429 -1.134 1.00 0.36 H new ATOM 0 HB2 CYS A 21 5.129 -1.394 -3.656 1.00 0.40 H new ATOM 0 HB3 CYS A 21 3.393 -1.270 -3.457 1.00 0.40 H new ATOM 341 N TYR A 22 2.193 -2.492 -0.915 1.00 0.41 N ATOM 342 CA TYR A 22 0.804 -2.962 -0.643 1.00 0.43 C ATOM 343 C TYR A 22 -0.025 -1.840 -0.011 1.00 0.41 C ATOM 344 O TYR A 22 0.330 -1.288 1.014 1.00 0.51 O ATOM 345 CB TYR A 22 0.880 -4.170 0.301 1.00 0.64 C ATOM 346 CG TYR A 22 -0.336 -4.230 1.193 1.00 0.75 C ATOM 347 CD1 TYR A 22 -1.599 -4.483 0.645 1.00 1.18 C ATOM 348 CD2 TYR A 22 -0.196 -4.046 2.574 1.00 1.77 C ATOM 349 CE1 TYR A 22 -2.722 -4.551 1.479 1.00 1.81 C ATOM 350 CE2 TYR A 22 -1.318 -4.112 3.407 1.00 2.49 C ATOM 351 CZ TYR A 22 -2.581 -4.365 2.860 1.00 2.34 C ATOM 352 OH TYR A 22 -3.686 -4.435 3.681 1.00 3.18 O ATOM 0 H TYR A 22 2.507 -1.697 -0.359 1.00 0.41 H new ATOM 0 HA TYR A 22 0.319 -3.250 -1.576 1.00 0.43 H new ATOM 0 HB2 TYR A 22 0.955 -5.088 -0.281 1.00 0.64 H new ATOM 0 HB3 TYR A 22 1.781 -4.105 0.911 1.00 0.64 H new ATOM 0 HD1 TYR A 22 -1.707 -4.626 -0.420 1.00 1.18 H new ATOM 0 HD2 TYR A 22 0.779 -3.853 2.996 1.00 1.77 H new ATOM 0 HE1 TYR A 22 -3.697 -4.747 1.057 1.00 1.81 H new ATOM 0 HE2 TYR A 22 -1.210 -3.968 4.472 1.00 2.49 H new ATOM 0 HH TYR A 22 -4.320 -5.090 3.321 1.00 3.18 H new ATOM 362 N LYS A 23 -1.130 -1.501 -0.628 1.00 0.45 N ATOM 363 CA LYS A 23 -2.006 -0.419 -0.086 1.00 0.57 C ATOM 364 C LYS A 23 -3.319 -1.027 0.420 1.00 0.59 C ATOM 365 O LYS A 23 -3.872 -1.917 -0.188 1.00 0.83 O ATOM 366 CB LYS A 23 -2.334 0.583 -1.200 1.00 0.74 C ATOM 367 CG LYS A 23 -1.045 1.096 -1.840 1.00 0.81 C ATOM 368 CD LYS A 23 -1.319 2.443 -2.515 1.00 1.05 C ATOM 369 CE LYS A 23 -0.763 2.416 -3.943 1.00 1.44 C ATOM 370 NZ LYS A 23 -1.295 1.216 -4.653 1.00 2.03 N ATOM 0 H LYS A 23 -1.464 -1.931 -1.490 1.00 0.45 H new ATOM 0 HA LYS A 23 -1.486 0.083 0.730 1.00 0.57 H new ATOM 0 HB2 LYS A 23 -2.960 0.107 -1.955 1.00 0.74 H new ATOM 0 HB3 LYS A 23 -2.904 1.418 -0.793 1.00 0.74 H new ATOM 0 HG2 LYS A 23 -0.268 1.206 -1.083 1.00 0.81 H new ATOM 0 HG3 LYS A 23 -0.677 0.377 -2.572 1.00 0.81 H new ATOM 0 HD2 LYS A 23 -2.390 2.642 -2.533 1.00 1.05 H new ATOM 0 HD3 LYS A 23 -0.854 3.249 -1.947 1.00 1.05 H new ATOM 0 HE2 LYS A 23 -1.048 3.324 -4.474 1.00 1.44 H new ATOM 0 HE3 LYS A 23 0.326 2.388 -3.922 1.00 1.44 H new ATOM 0 HZ1 LYS A 23 -1.484 1.456 -5.647 1.00 2.03 H new ATOM 0 HZ2 LYS A 23 -0.595 0.448 -4.609 1.00 2.03 H new ATOM 0 HZ3 LYS A 23 -2.177 0.906 -4.198 1.00 2.03 H new ATOM 384 N MET A 24 -3.834 -0.547 1.517 1.00 0.56 N ATOM 385 CA MET A 24 -5.118 -1.094 2.037 1.00 0.60 C ATOM 386 C MET A 24 -6.022 0.066 2.462 1.00 0.56 C ATOM 387 O MET A 24 -5.644 0.895 3.267 1.00 0.60 O ATOM 388 CB MET A 24 -4.845 -1.996 3.245 1.00 0.72 C ATOM 389 CG MET A 24 -6.134 -2.166 4.056 1.00 1.20 C ATOM 390 SD MET A 24 -5.790 -1.897 5.815 1.00 1.59 S ATOM 391 CE MET A 24 -6.105 -3.590 6.381 1.00 1.48 C ATOM 0 H MET A 24 -3.422 0.200 2.076 1.00 0.56 H new ATOM 0 HA MET A 24 -5.607 -1.677 1.257 1.00 0.60 H new ATOM 0 HB2 MET A 24 -4.481 -2.968 2.912 1.00 0.72 H new ATOM 0 HB3 MET A 24 -4.065 -1.560 3.869 1.00 0.72 H new ATOM 0 HG2 MET A 24 -6.888 -1.459 3.711 1.00 1.20 H new ATOM 0 HG3 MET A 24 -6.541 -3.166 3.904 1.00 1.20 H new ATOM 0 HE1 MET A 24 -5.948 -3.649 7.458 1.00 1.48 H new ATOM 0 HE2 MET A 24 -7.134 -3.866 6.149 1.00 1.48 H new ATOM 0 HE3 MET A 24 -5.423 -4.275 5.877 1.00 1.48 H new ATOM 401 N PHE A 25 -7.213 0.133 1.932 1.00 0.51 N ATOM 402 CA PHE A 25 -8.137 1.238 2.319 1.00 0.50 C ATOM 403 C PHE A 25 -9.573 0.846 1.966 1.00 0.43 C ATOM 404 O PHE A 25 -9.861 -0.302 1.691 1.00 0.54 O ATOM 405 CB PHE A 25 -7.758 2.529 1.585 1.00 0.62 C ATOM 406 CG PHE A 25 -7.186 2.203 0.229 1.00 0.52 C ATOM 407 CD1 PHE A 25 -5.834 1.867 0.105 1.00 0.86 C ATOM 408 CD2 PHE A 25 -8.006 2.242 -0.904 1.00 1.01 C ATOM 409 CE1 PHE A 25 -5.300 1.568 -1.153 1.00 1.10 C ATOM 410 CE2 PHE A 25 -7.473 1.943 -2.163 1.00 1.14 C ATOM 411 CZ PHE A 25 -6.120 1.606 -2.287 1.00 1.01 C ATOM 0 H PHE A 25 -7.586 -0.527 1.250 1.00 0.51 H new ATOM 0 HA PHE A 25 -8.057 1.409 3.392 1.00 0.50 H new ATOM 0 HB2 PHE A 25 -8.636 3.165 1.475 1.00 0.62 H new ATOM 0 HB3 PHE A 25 -7.029 3.090 2.171 1.00 0.62 H new ATOM 0 HD1 PHE A 25 -5.202 1.838 0.980 1.00 0.86 H new ATOM 0 HD2 PHE A 25 -9.050 2.503 -0.807 1.00 1.01 H new ATOM 0 HE1 PHE A 25 -4.256 1.308 -1.249 1.00 1.10 H new ATOM 0 HE2 PHE A 25 -8.105 1.972 -3.038 1.00 1.14 H new ATOM 0 HZ PHE A 25 -5.708 1.375 -3.258 1.00 1.01 H new ATOM 421 N MET A 26 -10.477 1.788 1.975 1.00 0.46 N ATOM 422 CA MET A 26 -11.893 1.459 1.641 1.00 0.43 C ATOM 423 C MET A 26 -12.558 2.658 0.958 1.00 0.50 C ATOM 424 O MET A 26 -11.967 3.711 0.813 1.00 0.66 O ATOM 425 CB MET A 26 -12.652 1.115 2.926 1.00 0.46 C ATOM 426 CG MET A 26 -12.483 2.248 3.939 1.00 0.61 C ATOM 427 SD MET A 26 -13.542 1.940 5.376 1.00 1.35 S ATOM 428 CE MET A 26 -13.049 3.392 6.338 1.00 1.97 C ATOM 0 H MET A 26 -10.298 2.767 2.198 1.00 0.46 H new ATOM 0 HA MET A 26 -11.915 0.605 0.964 1.00 0.43 H new ATOM 0 HB2 MET A 26 -13.709 0.964 2.707 1.00 0.46 H new ATOM 0 HB3 MET A 26 -12.276 0.181 3.344 1.00 0.46 H new ATOM 0 HG2 MET A 26 -11.441 2.318 4.251 1.00 0.61 H new ATOM 0 HG3 MET A 26 -12.744 3.202 3.480 1.00 0.61 H new ATOM 0 HE1 MET A 26 -13.591 3.403 7.284 1.00 1.97 H new ATOM 0 HE2 MET A 26 -11.978 3.352 6.534 1.00 1.97 H new ATOM 0 HE3 MET A 26 -13.281 4.297 5.776 1.00 1.97 H new ATOM 438 N VAL A 27 -13.784 2.504 0.535 1.00 0.60 N ATOM 439 CA VAL A 27 -14.489 3.630 -0.141 1.00 0.73 C ATOM 440 C VAL A 27 -14.745 4.753 0.865 1.00 0.55 C ATOM 441 O VAL A 27 -14.996 4.513 2.029 1.00 0.70 O ATOM 442 CB VAL A 27 -15.823 3.133 -0.702 1.00 1.10 C ATOM 443 CG1 VAL A 27 -15.563 2.264 -1.934 1.00 1.71 C ATOM 444 CG2 VAL A 27 -16.551 2.304 0.362 1.00 1.77 C ATOM 0 H VAL A 27 -14.328 1.646 0.629 1.00 0.60 H new ATOM 0 HA VAL A 27 -13.870 4.008 -0.955 1.00 0.73 H new ATOM 0 HB VAL A 27 -16.440 3.987 -0.980 1.00 1.10 H new ATOM 0 HG11 VAL A 27 -16.512 1.909 -2.335 1.00 1.71 H new ATOM 0 HG12 VAL A 27 -15.046 2.853 -2.692 1.00 1.71 H new ATOM 0 HG13 VAL A 27 -14.945 1.411 -1.654 1.00 1.71 H new ATOM 0 HG21 VAL A 27 -17.501 1.951 -0.039 1.00 1.77 H new ATOM 0 HG22 VAL A 27 -15.935 1.449 0.642 1.00 1.77 H new ATOM 0 HG23 VAL A 27 -16.735 2.922 1.241 1.00 1.77 H new ATOM 454 N SER A 28 -14.683 5.981 0.423 1.00 0.62 N ATOM 455 CA SER A 28 -14.922 7.120 1.353 1.00 0.79 C ATOM 456 C SER A 28 -15.331 8.360 0.553 1.00 0.84 C ATOM 457 O SER A 28 -16.411 8.891 0.726 1.00 1.00 O ATOM 458 CB SER A 28 -13.643 7.410 2.138 1.00 0.97 C ATOM 459 OG SER A 28 -13.880 8.477 3.047 1.00 1.51 O ATOM 0 H SER A 28 -14.477 6.243 -0.541 1.00 0.62 H new ATOM 0 HA SER A 28 -15.722 6.863 2.047 1.00 0.79 H new ATOM 0 HB2 SER A 28 -13.326 6.519 2.680 1.00 0.97 H new ATOM 0 HB3 SER A 28 -12.835 7.672 1.455 1.00 0.97 H new ATOM 0 HG SER A 28 -13.062 8.664 3.553 1.00 1.51 H new ATOM 465 N ASN A 29 -14.481 8.827 -0.321 1.00 0.85 N ATOM 466 CA ASN A 29 -14.831 10.031 -1.126 1.00 1.01 C ATOM 467 C ASN A 29 -14.723 9.702 -2.617 1.00 1.04 C ATOM 468 O ASN A 29 -15.691 9.766 -3.345 1.00 1.10 O ATOM 469 CB ASN A 29 -13.875 11.172 -0.776 1.00 1.16 C ATOM 470 CG ASN A 29 -14.124 11.614 0.667 1.00 1.55 C ATOM 471 OD1 ASN A 29 -13.260 11.491 1.511 1.00 2.15 O ATOM 472 ND2 ASN A 29 -15.280 12.125 0.989 1.00 2.12 N ATOM 0 H ASN A 29 -13.562 8.428 -0.512 1.00 0.85 H new ATOM 0 HA ASN A 29 -15.853 10.335 -0.901 1.00 1.01 H new ATOM 0 HB2 ASN A 29 -12.842 10.846 -0.896 1.00 1.16 H new ATOM 0 HB3 ASN A 29 -14.026 12.010 -1.457 1.00 1.16 H new ATOM 0 HD21 ASN A 29 -15.457 12.421 1.949 1.00 2.12 H new ATOM 0 HD22 ASN A 29 -16.007 12.229 0.281 1.00 2.12 H new ATOM 479 N LEU A 30 -13.556 9.344 -3.079 1.00 1.09 N ATOM 480 CA LEU A 30 -13.402 9.005 -4.523 1.00 1.21 C ATOM 481 C LEU A 30 -12.342 7.914 -4.672 1.00 1.10 C ATOM 482 O LEU A 30 -11.336 8.100 -5.327 1.00 1.20 O ATOM 483 CB LEU A 30 -12.966 10.251 -5.303 1.00 1.43 C ATOM 484 CG LEU A 30 -14.054 10.637 -6.315 1.00 1.84 C ATOM 485 CD1 LEU A 30 -14.668 11.992 -5.935 1.00 2.38 C ATOM 486 CD2 LEU A 30 -13.441 10.730 -7.719 1.00 2.29 C ATOM 0 H LEU A 30 -12.705 9.272 -2.521 1.00 1.09 H new ATOM 0 HA LEU A 30 -14.354 8.650 -4.917 1.00 1.21 H new ATOM 0 HB2 LEU A 30 -12.786 11.077 -4.615 1.00 1.43 H new ATOM 0 HB3 LEU A 30 -12.027 10.057 -5.821 1.00 1.43 H new ATOM 0 HG LEU A 30 -14.834 9.875 -6.306 1.00 1.84 H new ATOM 0 HD11 LEU A 30 -15.439 12.258 -6.658 1.00 2.38 H new ATOM 0 HD12 LEU A 30 -15.111 11.925 -4.941 1.00 2.38 H new ATOM 0 HD13 LEU A 30 -13.891 12.756 -5.935 1.00 2.38 H new ATOM 0 HD21 LEU A 30 -14.215 11.004 -8.436 1.00 2.29 H new ATOM 0 HD22 LEU A 30 -12.657 11.487 -7.724 1.00 2.29 H new ATOM 0 HD23 LEU A 30 -13.016 9.765 -7.995 1.00 2.29 H new ATOM 498 N THR A 31 -12.547 6.778 -4.062 1.00 0.97 N ATOM 499 CA THR A 31 -11.534 5.694 -4.171 1.00 0.93 C ATOM 500 C THR A 31 -10.178 6.254 -3.732 1.00 0.96 C ATOM 501 O THR A 31 -9.304 6.493 -4.540 1.00 1.14 O ATOM 502 CB THR A 31 -11.444 5.219 -5.624 1.00 1.13 C ATOM 503 OG1 THR A 31 -12.712 5.349 -6.251 1.00 1.31 O ATOM 504 CG2 THR A 31 -11.010 3.758 -5.653 1.00 1.51 C ATOM 0 H THR A 31 -13.367 6.556 -3.497 1.00 0.97 H new ATOM 0 HA THR A 31 -11.817 4.852 -3.539 1.00 0.93 H new ATOM 0 HB THR A 31 -10.715 5.828 -6.158 1.00 1.13 H new ATOM 0 HG1 THR A 31 -12.650 5.046 -7.181 1.00 1.31 H new ATOM 0 HG21 THR A 31 -10.945 3.418 -6.687 1.00 1.51 H new ATOM 0 HG22 THR A 31 -10.035 3.659 -5.177 1.00 1.51 H new ATOM 0 HG23 THR A 31 -11.739 3.151 -5.116 1.00 1.51 H new ATOM 512 N VAL A 32 -10.006 6.489 -2.457 1.00 0.90 N ATOM 513 CA VAL A 32 -8.716 7.064 -1.969 1.00 1.00 C ATOM 514 C VAL A 32 -7.954 6.043 -1.124 1.00 0.84 C ATOM 515 O VAL A 32 -8.532 5.335 -0.323 1.00 0.75 O ATOM 516 CB VAL A 32 -9.010 8.298 -1.119 1.00 1.16 C ATOM 517 CG1 VAL A 32 -7.717 8.787 -0.461 1.00 1.73 C ATOM 518 CG2 VAL A 32 -9.581 9.395 -2.017 1.00 1.75 C ATOM 0 H VAL A 32 -10.702 6.308 -1.733 1.00 0.90 H new ATOM 0 HA VAL A 32 -8.103 7.333 -2.829 1.00 1.00 H new ATOM 0 HB VAL A 32 -9.732 8.049 -0.341 1.00 1.16 H new ATOM 0 HG11 VAL A 32 -7.928 9.668 0.145 1.00 1.73 H new ATOM 0 HG12 VAL A 32 -7.311 7.999 0.173 1.00 1.73 H new ATOM 0 HG13 VAL A 32 -6.991 9.043 -1.232 1.00 1.73 H new ATOM 0 HG21 VAL A 32 -9.794 10.281 -1.419 1.00 1.75 H new ATOM 0 HG22 VAL A 32 -8.856 9.646 -2.791 1.00 1.75 H new ATOM 0 HG23 VAL A 32 -10.501 9.042 -2.483 1.00 1.75 H new ATOM 528 N PRO A 33 -6.665 6.020 -1.334 1.00 0.87 N ATOM 529 CA PRO A 33 -5.747 5.115 -0.618 1.00 0.77 C ATOM 530 C PRO A 33 -5.498 5.634 0.806 1.00 0.80 C ATOM 531 O PRO A 33 -5.298 6.813 1.018 1.00 1.07 O ATOM 532 CB PRO A 33 -4.472 5.160 -1.470 1.00 0.93 C ATOM 533 CG PRO A 33 -4.528 6.480 -2.277 1.00 1.15 C ATOM 534 CD PRO A 33 -6.006 6.910 -2.313 1.00 1.08 C ATOM 0 HA PRO A 33 -6.130 4.101 -0.500 1.00 0.77 H new ATOM 0 HB2 PRO A 33 -3.583 5.128 -0.840 1.00 0.93 H new ATOM 0 HB3 PRO A 33 -4.421 4.299 -2.137 1.00 0.93 H new ATOM 0 HG2 PRO A 33 -3.912 7.247 -1.808 1.00 1.15 H new ATOM 0 HG3 PRO A 33 -4.142 6.334 -3.286 1.00 1.15 H new ATOM 0 HD2 PRO A 33 -6.123 7.959 -2.040 1.00 1.08 H new ATOM 0 HD3 PRO A 33 -6.432 6.791 -3.309 1.00 1.08 H new ATOM 542 N VAL A 34 -5.528 4.768 1.786 1.00 0.66 N ATOM 543 CA VAL A 34 -5.315 5.226 3.193 1.00 0.80 C ATOM 544 C VAL A 34 -4.166 4.453 3.835 1.00 0.80 C ATOM 545 O VAL A 34 -3.526 4.927 4.752 1.00 1.24 O ATOM 546 CB VAL A 34 -6.589 4.976 4.003 1.00 0.87 C ATOM 547 CG1 VAL A 34 -6.919 6.209 4.845 1.00 1.47 C ATOM 548 CG2 VAL A 34 -7.746 4.696 3.047 1.00 1.33 C ATOM 0 H VAL A 34 -5.690 3.767 1.674 1.00 0.66 H new ATOM 0 HA VAL A 34 -5.073 6.289 3.183 1.00 0.80 H new ATOM 0 HB VAL A 34 -6.436 4.121 4.661 1.00 0.87 H new ATOM 0 HG11 VAL A 34 -7.827 6.025 5.419 1.00 1.47 H new ATOM 0 HG12 VAL A 34 -6.094 6.416 5.527 1.00 1.47 H new ATOM 0 HG13 VAL A 34 -7.072 7.067 4.190 1.00 1.47 H new ATOM 0 HG21 VAL A 34 -8.656 4.517 3.620 1.00 1.33 H new ATOM 0 HG22 VAL A 34 -7.892 5.555 2.392 1.00 1.33 H new ATOM 0 HG23 VAL A 34 -7.517 3.816 2.446 1.00 1.33 H new ATOM 558 N LYS A 35 -3.913 3.256 3.388 1.00 0.47 N ATOM 559 CA LYS A 35 -2.818 2.460 4.013 1.00 0.60 C ATOM 560 C LYS A 35 -1.866 1.903 2.951 1.00 0.45 C ATOM 561 O LYS A 35 -2.278 1.457 1.904 1.00 0.41 O ATOM 562 CB LYS A 35 -3.443 1.302 4.790 1.00 0.85 C ATOM 563 CG LYS A 35 -2.480 0.829 5.877 1.00 1.17 C ATOM 564 CD LYS A 35 -3.158 -0.252 6.723 1.00 1.64 C ATOM 565 CE LYS A 35 -4.351 0.347 7.469 1.00 2.08 C ATOM 566 NZ LYS A 35 -4.094 0.294 8.936 1.00 2.82 N ATOM 0 H LYS A 35 -4.410 2.797 2.625 1.00 0.47 H new ATOM 0 HA LYS A 35 -2.244 3.106 4.677 1.00 0.60 H new ATOM 0 HB2 LYS A 35 -4.385 1.619 5.238 1.00 0.85 H new ATOM 0 HB3 LYS A 35 -3.673 0.480 4.113 1.00 0.85 H new ATOM 0 HG2 LYS A 35 -1.570 0.435 5.425 1.00 1.17 H new ATOM 0 HG3 LYS A 35 -2.186 1.668 6.507 1.00 1.17 H new ATOM 0 HD2 LYS A 35 -3.490 -1.071 6.085 1.00 1.64 H new ATOM 0 HD3 LYS A 35 -2.446 -0.671 7.434 1.00 1.64 H new ATOM 0 HE2 LYS A 35 -4.511 1.378 7.154 1.00 2.08 H new ATOM 0 HE3 LYS A 35 -5.259 -0.205 7.227 1.00 2.08 H new ATOM 0 HZ1 LYS A 35 -4.904 0.701 9.445 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 -3.962 -0.695 9.230 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 -3.236 0.839 9.158 1.00 2.82 H new ATOM 580 N ARG A 36 -0.590 1.895 3.238 1.00 0.45 N ATOM 581 CA ARG A 36 0.401 1.333 2.277 1.00 0.45 C ATOM 582 C ARG A 36 1.505 0.652 3.077 1.00 0.46 C ATOM 583 O ARG A 36 1.486 0.650 4.291 1.00 0.69 O ATOM 584 CB ARG A 36 1.039 2.425 1.404 1.00 0.61 C ATOM 585 CG ARG A 36 0.162 3.678 1.359 1.00 1.14 C ATOM 586 CD ARG A 36 0.973 4.821 0.741 1.00 1.17 C ATOM 587 NE ARG A 36 0.120 5.603 -0.204 1.00 1.92 N ATOM 588 CZ ARG A 36 0.101 5.292 -1.474 1.00 2.18 C ATOM 589 NH1 ARG A 36 0.275 4.050 -1.830 1.00 2.85 N ATOM 590 NH2 ARG A 36 -0.100 6.216 -2.379 1.00 2.53 N ATOM 0 H ARG A 36 -0.191 2.257 4.104 1.00 0.45 H new ATOM 0 HA ARG A 36 -0.117 0.634 1.621 1.00 0.45 H new ATOM 0 HB2 ARG A 36 2.023 2.680 1.797 1.00 0.61 H new ATOM 0 HB3 ARG A 36 1.188 2.046 0.393 1.00 0.61 H new ATOM 0 HG2 ARG A 36 -0.736 3.490 0.770 1.00 1.14 H new ATOM 0 HG3 ARG A 36 -0.166 3.947 2.363 1.00 1.14 H new ATOM 0 HD2 ARG A 36 1.352 5.474 1.527 1.00 1.17 H new ATOM 0 HD3 ARG A 36 1.839 4.420 0.215 1.00 1.17 H new ATOM 0 HE ARG A 36 -0.446 6.378 0.141 1.00 1.92 H new ATOM 0 HH11 ARG A 36 0.424 3.332 -1.121 1.00 2.85 H new ATOM 0 HH12 ARG A 36 0.262 3.796 -2.818 1.00 2.85 H new ATOM 0 HH21 ARG A 36 -0.243 7.185 -2.095 1.00 2.53 H new ATOM 0 HH22 ARG A 36 -0.114 5.967 -3.368 1.00 2.53 H new ATOM 604 N GLY A 37 2.468 0.081 2.413 1.00 0.52 N ATOM 605 CA GLY A 37 3.577 -0.594 3.144 1.00 0.52 C ATOM 606 C GLY A 37 4.220 -1.637 2.234 1.00 0.46 C ATOM 607 O GLY A 37 3.624 -2.093 1.281 1.00 0.57 O ATOM 0 H GLY A 37 2.537 0.052 1.396 1.00 0.52 H new ATOM 0 HA2 GLY A 37 4.320 0.139 3.458 1.00 0.52 H new ATOM 0 HA3 GLY A 37 3.196 -1.069 4.048 1.00 0.52 H new ATOM 611 N CYS A 38 5.426 -2.028 2.526 1.00 0.45 N ATOM 612 CA CYS A 38 6.099 -3.055 1.685 1.00 0.45 C ATOM 613 C CYS A 38 5.978 -4.412 2.377 1.00 0.48 C ATOM 614 O CYS A 38 6.382 -4.582 3.510 1.00 0.64 O ATOM 615 CB CYS A 38 7.572 -2.697 1.517 1.00 0.58 C ATOM 616 SG CYS A 38 7.905 -1.112 2.320 1.00 0.48 S ATOM 0 H CYS A 38 5.976 -1.681 3.311 1.00 0.45 H new ATOM 0 HA CYS A 38 5.629 -3.095 0.702 1.00 0.45 H new ATOM 0 HB2 CYS A 38 8.198 -3.476 1.953 1.00 0.58 H new ATOM 0 HB3 CYS A 38 7.825 -2.640 0.458 1.00 0.58 H new ATOM 621 N ILE A 39 5.408 -5.374 1.707 1.00 0.45 N ATOM 622 CA ILE A 39 5.237 -6.721 2.318 1.00 0.59 C ATOM 623 C ILE A 39 5.393 -7.783 1.224 1.00 0.58 C ATOM 624 O ILE A 39 5.894 -7.505 0.153 1.00 0.62 O ATOM 625 CB ILE A 39 3.840 -6.802 2.926 1.00 0.75 C ATOM 626 CG1 ILE A 39 3.600 -8.210 3.489 1.00 1.52 C ATOM 627 CG2 ILE A 39 2.813 -6.474 1.836 1.00 1.75 C ATOM 628 CD1 ILE A 39 2.488 -8.162 4.546 1.00 1.96 C ATOM 0 H ILE A 39 5.051 -5.284 0.756 1.00 0.45 H new ATOM 0 HA ILE A 39 5.984 -6.891 3.093 1.00 0.59 H new ATOM 0 HB ILE A 39 3.742 -6.087 3.743 1.00 0.75 H new ATOM 0 HG12 ILE A 39 3.321 -8.891 2.685 1.00 1.52 H new ATOM 0 HG13 ILE A 39 4.518 -8.597 3.931 1.00 1.52 H new ATOM 0 HG21 ILE A 39 1.808 -6.528 2.255 1.00 1.75 H new ATOM 0 HG22 ILE A 39 2.994 -5.469 1.456 1.00 1.75 H new ATOM 0 HG23 ILE A 39 2.905 -7.192 1.021 1.00 1.75 H new ATOM 0 HD11 ILE A 39 2.320 -9.163 4.943 1.00 1.96 H new ATOM 0 HD12 ILE A 39 2.784 -7.495 5.356 1.00 1.96 H new ATOM 0 HD13 ILE A 39 1.569 -7.794 4.091 1.00 1.96 H new ATOM 640 N ASP A 40 4.974 -8.996 1.473 1.00 0.67 N ATOM 641 CA ASP A 40 5.117 -10.050 0.425 1.00 0.77 C ATOM 642 C ASP A 40 3.786 -10.790 0.221 1.00 0.89 C ATOM 643 O ASP A 40 3.703 -11.720 -0.557 1.00 1.22 O ATOM 644 CB ASP A 40 6.202 -11.045 0.848 1.00 0.85 C ATOM 645 CG ASP A 40 7.253 -11.158 -0.259 1.00 1.56 C ATOM 646 OD1 ASP A 40 7.127 -10.450 -1.245 1.00 2.26 O ATOM 647 OD2 ASP A 40 8.169 -11.949 -0.102 1.00 2.21 O ATOM 0 H ASP A 40 4.544 -9.301 2.346 1.00 0.67 H new ATOM 0 HA ASP A 40 5.399 -9.577 -0.515 1.00 0.77 H new ATOM 0 HB2 ASP A 40 6.670 -10.716 1.776 1.00 0.85 H new ATOM 0 HB3 ASP A 40 5.758 -12.021 1.044 1.00 0.85 H new ATOM 652 N VAL A 41 2.742 -10.387 0.900 1.00 0.89 N ATOM 653 CA VAL A 41 1.427 -11.076 0.720 1.00 1.06 C ATOM 654 C VAL A 41 0.320 -10.032 0.560 1.00 0.91 C ATOM 655 O VAL A 41 -0.027 -9.333 1.491 1.00 1.12 O ATOM 656 CB VAL A 41 1.122 -11.947 1.940 1.00 1.49 C ATOM 657 CG1 VAL A 41 -0.379 -12.249 1.988 1.00 1.79 C ATOM 658 CG2 VAL A 41 1.903 -13.259 1.834 1.00 1.88 C ATOM 0 H VAL A 41 2.742 -9.616 1.567 1.00 0.89 H new ATOM 0 HA VAL A 41 1.475 -11.704 -0.170 1.00 1.06 H new ATOM 0 HB VAL A 41 1.416 -11.420 2.848 1.00 1.49 H new ATOM 0 HG11 VAL A 41 -0.598 -12.870 2.857 1.00 1.79 H new ATOM 0 HG12 VAL A 41 -0.936 -11.315 2.060 1.00 1.79 H new ATOM 0 HG13 VAL A 41 -0.673 -12.778 1.081 1.00 1.79 H new ATOM 0 HG21 VAL A 41 1.688 -13.882 2.702 1.00 1.88 H new ATOM 0 HG22 VAL A 41 1.607 -13.786 0.927 1.00 1.88 H new ATOM 0 HG23 VAL A 41 2.971 -13.045 1.797 1.00 1.88 H new ATOM 668 N CYS A 42 -0.240 -9.922 -0.615 1.00 0.75 N ATOM 669 CA CYS A 42 -1.326 -8.922 -0.833 1.00 0.82 C ATOM 670 C CYS A 42 -2.485 -9.579 -1.592 1.00 0.83 C ATOM 671 O CYS A 42 -3.099 -8.961 -2.439 1.00 1.20 O ATOM 672 CB CYS A 42 -0.783 -7.747 -1.653 1.00 1.00 C ATOM 673 SG CYS A 42 1.022 -7.704 -1.541 1.00 0.98 S ATOM 0 H CYS A 42 0.007 -10.480 -1.432 1.00 0.75 H new ATOM 0 HA CYS A 42 -1.682 -8.560 0.132 1.00 0.82 H new ATOM 0 HB2 CYS A 42 -1.090 -7.846 -2.694 1.00 1.00 H new ATOM 0 HB3 CYS A 42 -1.202 -6.810 -1.285 1.00 1.00 H new ATOM 678 N PRO A 43 -2.739 -10.819 -1.268 1.00 0.93 N ATOM 679 CA PRO A 43 -3.811 -11.608 -1.902 1.00 1.09 C ATOM 680 C PRO A 43 -5.173 -11.309 -1.260 1.00 1.02 C ATOM 681 O PRO A 43 -5.260 -10.850 -0.137 1.00 1.49 O ATOM 682 CB PRO A 43 -3.402 -13.055 -1.611 1.00 1.73 C ATOM 683 CG PRO A 43 -2.478 -13.007 -0.368 1.00 1.98 C ATOM 684 CD PRO A 43 -1.972 -11.556 -0.244 1.00 1.43 C ATOM 0 HA PRO A 43 -3.920 -11.388 -2.964 1.00 1.09 H new ATOM 0 HB2 PRO A 43 -4.278 -13.675 -1.420 1.00 1.73 H new ATOM 0 HB3 PRO A 43 -2.883 -13.491 -2.464 1.00 1.73 H new ATOM 0 HG2 PRO A 43 -3.021 -13.305 0.529 1.00 1.98 H new ATOM 0 HG3 PRO A 43 -1.643 -13.699 -0.480 1.00 1.98 H new ATOM 0 HD2 PRO A 43 -2.151 -11.155 0.754 1.00 1.43 H new ATOM 0 HD3 PRO A 43 -0.899 -11.491 -0.426 1.00 1.43 H new ATOM 692 N LYS A 44 -6.236 -11.602 -1.963 1.00 1.10 N ATOM 693 CA LYS A 44 -7.601 -11.378 -1.405 1.00 1.44 C ATOM 694 C LYS A 44 -7.929 -9.892 -1.305 1.00 1.05 C ATOM 695 O LYS A 44 -7.066 -9.036 -1.342 1.00 1.26 O ATOM 696 CB LYS A 44 -7.683 -11.974 0.000 1.00 2.31 C ATOM 697 CG LYS A 44 -8.615 -13.179 -0.014 1.00 2.55 C ATOM 698 CD LYS A 44 -7.796 -14.426 -0.332 1.00 2.98 C ATOM 699 CE LYS A 44 -7.703 -14.598 -1.847 1.00 3.04 C ATOM 700 NZ LYS A 44 -8.180 -15.958 -2.211 1.00 3.68 N ATOM 0 H LYS A 44 -6.216 -11.990 -2.906 1.00 1.10 H new ATOM 0 HA LYS A 44 -8.313 -11.856 -2.078 1.00 1.44 H new ATOM 0 HB2 LYS A 44 -6.691 -12.272 0.339 1.00 2.31 H new ATOM 0 HB3 LYS A 44 -8.049 -11.226 0.703 1.00 2.31 H new ATOM 0 HG2 LYS A 44 -9.108 -13.287 0.952 1.00 2.55 H new ATOM 0 HG3 LYS A 44 -9.399 -13.042 -0.759 1.00 2.55 H new ATOM 0 HD2 LYS A 44 -6.798 -14.338 0.097 1.00 2.98 H new ATOM 0 HD3 LYS A 44 -8.260 -15.304 0.117 1.00 2.98 H new ATOM 0 HE2 LYS A 44 -8.305 -13.841 -2.349 1.00 3.04 H new ATOM 0 HE3 LYS A 44 -6.674 -14.459 -2.179 1.00 3.04 H new ATOM 0 HZ1 LYS A 44 -8.120 -16.083 -3.242 1.00 3.68 H new ATOM 0 HZ2 LYS A 44 -7.587 -16.671 -1.741 1.00 3.68 H new ATOM 0 HZ3 LYS A 44 -9.168 -16.073 -1.906 1.00 3.68 H new ATOM 714 N ASN A 45 -9.188 -9.602 -1.134 1.00 1.11 N ATOM 715 CA ASN A 45 -9.639 -8.197 -0.972 1.00 0.92 C ATOM 716 C ASN A 45 -10.986 -8.219 -0.255 1.00 1.30 C ATOM 717 O ASN A 45 -11.147 -8.888 0.749 1.00 2.08 O ATOM 718 CB ASN A 45 -9.770 -7.494 -2.328 1.00 1.29 C ATOM 719 CG ASN A 45 -10.645 -8.312 -3.278 1.00 1.89 C ATOM 720 OD1 ASN A 45 -11.263 -9.278 -2.880 1.00 2.59 O ATOM 721 ND2 ASN A 45 -10.724 -7.953 -4.530 1.00 2.37 N ATOM 0 H ASN A 45 -9.936 -10.295 -1.099 1.00 1.11 H new ATOM 0 HA ASN A 45 -8.903 -7.641 -0.392 1.00 0.92 H new ATOM 0 HB2 ASN A 45 -10.203 -6.503 -2.189 1.00 1.29 H new ATOM 0 HB3 ASN A 45 -8.782 -7.352 -2.767 1.00 1.29 H new ATOM 0 HD21 ASN A 45 -11.306 -8.485 -5.177 1.00 2.37 H new ATOM 0 HD22 ASN A 45 -10.204 -7.141 -4.861 1.00 2.37 H new ATOM 728 N SER A 46 -11.959 -7.513 -0.748 1.00 1.14 N ATOM 729 CA SER A 46 -13.280 -7.529 -0.064 1.00 1.68 C ATOM 730 C SER A 46 -14.259 -6.614 -0.788 1.00 1.27 C ATOM 731 O SER A 46 -14.428 -6.679 -1.991 1.00 1.78 O ATOM 732 CB SER A 46 -13.114 -7.038 1.374 1.00 2.60 C ATOM 733 OG SER A 46 -14.201 -7.512 2.159 1.00 3.23 O ATOM 0 H SER A 46 -11.901 -6.932 -1.584 1.00 1.14 H new ATOM 0 HA SER A 46 -13.667 -8.548 -0.070 1.00 1.68 H new ATOM 0 HB2 SER A 46 -12.170 -7.395 1.786 1.00 2.60 H new ATOM 0 HB3 SER A 46 -13.081 -5.949 1.397 1.00 2.60 H new ATOM 0 HG SER A 46 -14.098 -7.201 3.083 1.00 3.23 H new ATOM 739 N ALA A 47 -14.908 -5.765 -0.047 1.00 1.19 N ATOM 740 CA ALA A 47 -15.892 -4.832 -0.651 1.00 1.20 C ATOM 741 C ALA A 47 -15.822 -3.499 0.095 1.00 1.08 C ATOM 742 O ALA A 47 -16.166 -2.460 -0.431 1.00 1.32 O ATOM 743 CB ALA A 47 -17.295 -5.429 -0.516 1.00 1.47 C ATOM 0 H ALA A 47 -14.797 -5.677 0.963 1.00 1.19 H new ATOM 0 HA ALA A 47 -15.669 -4.674 -1.706 1.00 1.20 H new ATOM 0 HB1 ALA A 47 -18.024 -4.749 -0.958 1.00 1.47 H new ATOM 0 HB2 ALA A 47 -17.334 -6.388 -1.033 1.00 1.47 H new ATOM 0 HB3 ALA A 47 -17.528 -5.576 0.539 1.00 1.47 H new ATOM 749 N LEU A 48 -15.363 -3.525 1.317 1.00 0.89 N ATOM 750 CA LEU A 48 -15.249 -2.267 2.106 1.00 0.89 C ATOM 751 C LEU A 48 -13.766 -1.907 2.228 1.00 0.86 C ATOM 752 O LEU A 48 -13.352 -0.807 1.916 1.00 1.15 O ATOM 753 CB LEU A 48 -15.848 -2.475 3.504 1.00 1.00 C ATOM 754 CG LEU A 48 -17.204 -3.184 3.396 1.00 1.89 C ATOM 755 CD1 LEU A 48 -17.571 -3.784 4.757 1.00 2.30 C ATOM 756 CD2 LEU A 48 -18.275 -2.170 2.985 1.00 2.48 C ATOM 0 H LEU A 48 -15.061 -4.369 1.804 1.00 0.89 H new ATOM 0 HA LEU A 48 -15.791 -1.463 1.609 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.167 -3.067 4.116 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -15.970 -1.513 4.003 1.00 1.00 H new ATOM 0 HG LEU A 48 -17.144 -3.976 2.650 1.00 1.89 H new ATOM 0 HD11 LEU A 48 -18.534 -4.289 4.684 1.00 2.30 H new ATOM 0 HD12 LEU A 48 -16.807 -4.502 5.056 1.00 2.30 H new ATOM 0 HD13 LEU A 48 -17.633 -2.989 5.500 1.00 2.30 H new ATOM 0 HD21 LEU A 48 -19.240 -2.671 2.907 1.00 2.48 H new ATOM 0 HD22 LEU A 48 -18.335 -1.381 3.734 1.00 2.48 H new ATOM 0 HD23 LEU A 48 -18.013 -1.735 2.020 1.00 2.48 H new ATOM 768 N VAL A 49 -12.963 -2.840 2.663 1.00 0.67 N ATOM 769 CA VAL A 49 -11.502 -2.579 2.791 1.00 0.66 C ATOM 770 C VAL A 49 -10.760 -3.450 1.776 1.00 0.60 C ATOM 771 O VAL A 49 -10.555 -4.630 1.989 1.00 0.86 O ATOM 772 CB VAL A 49 -11.039 -2.928 4.206 1.00 0.80 C ATOM 773 CG1 VAL A 49 -11.885 -2.166 5.225 1.00 1.15 C ATOM 774 CG2 VAL A 49 -11.199 -4.431 4.442 1.00 1.12 C ATOM 0 H VAL A 49 -13.259 -3.777 2.937 1.00 0.67 H new ATOM 0 HA VAL A 49 -11.293 -1.526 2.601 1.00 0.66 H new ATOM 0 HB VAL A 49 -9.991 -2.649 4.320 1.00 0.80 H new ATOM 0 HG11 VAL A 49 -11.554 -2.416 6.233 1.00 1.15 H new ATOM 0 HG12 VAL A 49 -11.773 -1.094 5.062 1.00 1.15 H new ATOM 0 HG13 VAL A 49 -12.933 -2.443 5.108 1.00 1.15 H new ATOM 0 HG21 VAL A 49 -10.869 -4.678 5.451 1.00 1.12 H new ATOM 0 HG22 VAL A 49 -12.247 -4.708 4.325 1.00 1.12 H new ATOM 0 HG23 VAL A 49 -10.596 -4.979 3.718 1.00 1.12 H new ATOM 784 N LYS A 50 -10.373 -2.885 0.666 1.00 0.51 N ATOM 785 CA LYS A 50 -9.662 -3.690 -0.368 1.00 0.65 C ATOM 786 C LYS A 50 -8.146 -3.516 -0.223 1.00 0.50 C ATOM 787 O LYS A 50 -7.661 -2.452 0.111 1.00 0.54 O ATOM 788 CB LYS A 50 -10.101 -3.230 -1.764 1.00 0.93 C ATOM 789 CG LYS A 50 -9.637 -1.790 -2.004 1.00 1.29 C ATOM 790 CD LYS A 50 -10.798 -0.960 -2.563 1.00 1.56 C ATOM 791 CE LYS A 50 -10.973 -1.265 -4.049 1.00 1.68 C ATOM 792 NZ LYS A 50 -12.270 -0.704 -4.528 1.00 2.47 N ATOM 0 H LYS A 50 -10.518 -1.903 0.430 1.00 0.51 H new ATOM 0 HA LYS A 50 -9.911 -4.743 -0.233 1.00 0.65 H new ATOM 0 HB2 LYS A 50 -9.680 -3.889 -2.523 1.00 0.93 H new ATOM 0 HB3 LYS A 50 -11.186 -3.292 -1.853 1.00 0.93 H new ATOM 0 HG2 LYS A 50 -9.280 -1.352 -1.072 1.00 1.29 H new ATOM 0 HG3 LYS A 50 -8.800 -1.779 -2.702 1.00 1.29 H new ATOM 0 HD2 LYS A 50 -11.716 -1.190 -2.023 1.00 1.56 H new ATOM 0 HD3 LYS A 50 -10.602 0.103 -2.420 1.00 1.56 H new ATOM 0 HE2 LYS A 50 -10.148 -0.836 -4.618 1.00 1.68 H new ATOM 0 HE3 LYS A 50 -10.948 -2.342 -4.214 1.00 1.68 H new ATOM 0 HZ1 LYS A 50 -12.386 -0.913 -5.540 1.00 2.47 H new ATOM 0 HZ2 LYS A 50 -13.052 -1.133 -3.994 1.00 2.47 H new ATOM 0 HZ3 LYS A 50 -12.277 0.326 -4.385 1.00 2.47 H new ATOM 806 N TYR A 51 -7.394 -4.555 -0.480 1.00 0.47 N ATOM 807 CA TYR A 51 -5.914 -4.450 -0.366 1.00 0.52 C ATOM 808 C TYR A 51 -5.289 -4.575 -1.763 1.00 0.57 C ATOM 809 O TYR A 51 -5.576 -5.497 -2.499 1.00 0.84 O ATOM 810 CB TYR A 51 -5.377 -5.577 0.526 1.00 0.76 C ATOM 811 CG TYR A 51 -6.382 -5.919 1.604 1.00 0.64 C ATOM 812 CD1 TYR A 51 -7.590 -5.214 1.697 1.00 1.51 C ATOM 813 CD2 TYR A 51 -6.104 -6.951 2.514 1.00 1.33 C ATOM 814 CE1 TYR A 51 -8.515 -5.539 2.698 1.00 1.88 C ATOM 815 CE2 TYR A 51 -7.028 -7.276 3.514 1.00 1.60 C ATOM 816 CZ TYR A 51 -8.235 -6.571 3.605 1.00 1.56 C ATOM 817 OH TYR A 51 -9.147 -6.889 4.592 1.00 2.14 O ATOM 0 H TYR A 51 -7.744 -5.470 -0.764 1.00 0.47 H new ATOM 0 HA TYR A 51 -5.656 -3.487 0.074 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -5.168 -6.460 -0.078 1.00 0.76 H new ATOM 0 HB3 TYR A 51 -4.435 -5.272 0.981 1.00 0.76 H new ATOM 0 HD1 TYR A 51 -7.808 -4.421 0.997 1.00 1.51 H new ATOM 0 HD2 TYR A 51 -5.174 -7.496 2.442 1.00 1.33 H new ATOM 0 HE1 TYR A 51 -9.445 -4.994 2.771 1.00 1.88 H new ATOM 0 HE2 TYR A 51 -6.811 -8.069 4.214 1.00 1.60 H new ATOM 0 HH TYR A 51 -8.798 -7.627 5.134 1.00 2.14 H new ATOM 827 N VAL A 52 -4.439 -3.655 -2.134 1.00 0.46 N ATOM 828 CA VAL A 52 -3.796 -3.723 -3.477 1.00 0.59 C ATOM 829 C VAL A 52 -2.294 -3.974 -3.304 1.00 0.53 C ATOM 830 O VAL A 52 -1.717 -3.650 -2.286 1.00 0.66 O ATOM 831 CB VAL A 52 -4.022 -2.399 -4.211 1.00 0.74 C ATOM 832 CG1 VAL A 52 -3.491 -2.515 -5.641 1.00 1.74 C ATOM 833 CG2 VAL A 52 -5.523 -2.091 -4.246 1.00 1.42 C ATOM 0 H VAL A 52 -4.162 -2.857 -1.562 1.00 0.46 H new ATOM 0 HA VAL A 52 -4.232 -4.535 -4.058 1.00 0.59 H new ATOM 0 HB VAL A 52 -3.497 -1.597 -3.693 1.00 0.74 H new ATOM 0 HG11 VAL A 52 -3.651 -1.573 -6.166 1.00 1.74 H new ATOM 0 HG12 VAL A 52 -2.425 -2.740 -5.616 1.00 1.74 H new ATOM 0 HG13 VAL A 52 -4.019 -3.314 -6.161 1.00 1.74 H new ATOM 0 HG21 VAL A 52 -5.689 -1.149 -4.768 1.00 1.42 H new ATOM 0 HG22 VAL A 52 -6.047 -2.892 -4.768 1.00 1.42 H new ATOM 0 HG23 VAL A 52 -5.902 -2.013 -3.227 1.00 1.42 H new ATOM 843 N CYS A 53 -1.653 -4.561 -4.279 1.00 0.52 N ATOM 844 CA CYS A 53 -0.192 -4.841 -4.144 1.00 0.53 C ATOM 845 C CYS A 53 0.566 -4.295 -5.357 1.00 0.57 C ATOM 846 O CYS A 53 0.375 -4.739 -6.472 1.00 0.84 O ATOM 847 CB CYS A 53 0.027 -6.353 -4.051 1.00 0.71 C ATOM 848 SG CYS A 53 1.586 -6.688 -3.194 1.00 0.92 S ATOM 0 H CYS A 53 -2.074 -4.858 -5.159 1.00 0.52 H new ATOM 0 HA CYS A 53 0.181 -4.354 -3.243 1.00 0.53 H new ATOM 0 HB2 CYS A 53 -0.801 -6.819 -3.516 1.00 0.71 H new ATOM 0 HB3 CYS A 53 0.048 -6.790 -5.049 1.00 0.71 H new ATOM 853 N CYS A 54 1.435 -3.344 -5.146 1.00 0.56 N ATOM 854 CA CYS A 54 2.216 -2.781 -6.284 1.00 0.65 C ATOM 855 C CYS A 54 3.585 -3.461 -6.330 1.00 0.59 C ATOM 856 O CYS A 54 3.995 -4.105 -5.386 1.00 0.74 O ATOM 857 CB CYS A 54 2.400 -1.275 -6.088 1.00 0.90 C ATOM 858 SG CYS A 54 2.702 -0.496 -7.692 1.00 1.06 S ATOM 0 H CYS A 54 1.638 -2.933 -4.235 1.00 0.56 H new ATOM 0 HA CYS A 54 1.683 -2.957 -7.218 1.00 0.65 H new ATOM 0 HB2 CYS A 54 1.512 -0.846 -5.624 1.00 0.90 H new ATOM 0 HB3 CYS A 54 3.236 -1.084 -5.415 1.00 0.90 H new ATOM 863 N ASN A 55 4.295 -3.338 -7.418 1.00 0.61 N ATOM 864 CA ASN A 55 5.628 -3.997 -7.500 1.00 0.74 C ATOM 865 C ASN A 55 6.476 -3.336 -8.593 1.00 0.98 C ATOM 866 O ASN A 55 7.159 -4.004 -9.347 1.00 1.78 O ATOM 867 CB ASN A 55 5.420 -5.486 -7.814 1.00 1.01 C ATOM 868 CG ASN A 55 6.700 -6.102 -8.390 1.00 1.33 C ATOM 869 OD1 ASN A 55 7.200 -5.658 -9.405 1.00 1.83 O ATOM 870 ND2 ASN A 55 7.248 -7.122 -7.785 1.00 1.85 N ATOM 0 H ASN A 55 4.013 -2.814 -8.247 1.00 0.61 H new ATOM 0 HA ASN A 55 6.153 -3.892 -6.551 1.00 0.74 H new ATOM 0 HB2 ASN A 55 5.131 -6.017 -6.907 1.00 1.01 H new ATOM 0 HB3 ASN A 55 4.602 -5.602 -8.526 1.00 1.01 H new ATOM 0 HD21 ASN A 55 8.095 -7.545 -8.164 1.00 1.85 H new ATOM 0 HD22 ASN A 55 6.829 -7.495 -6.933 1.00 1.85 H new ATOM 877 N THR A 56 6.450 -2.024 -8.684 1.00 0.86 N ATOM 878 CA THR A 56 7.277 -1.349 -9.730 1.00 1.27 C ATOM 879 C THR A 56 7.473 0.146 -9.431 1.00 0.97 C ATOM 880 O THR A 56 6.682 0.983 -9.820 1.00 1.53 O ATOM 881 CB THR A 56 6.626 -1.508 -11.104 1.00 2.22 C ATOM 882 OG1 THR A 56 5.629 -2.516 -11.042 1.00 2.77 O ATOM 883 CG2 THR A 56 7.698 -1.902 -12.115 1.00 3.05 C ATOM 0 H THR A 56 5.901 -1.404 -8.089 1.00 0.86 H new ATOM 0 HA THR A 56 8.256 -1.828 -9.725 1.00 1.27 H new ATOM 0 HB THR A 56 6.163 -0.569 -11.408 1.00 2.22 H new ATOM 0 HG1 THR A 56 5.211 -2.617 -11.922 1.00 2.77 H new ATOM 0 HG21 THR A 56 7.245 -2.018 -13.099 1.00 3.05 H new ATOM 0 HG22 THR A 56 8.462 -1.125 -12.157 1.00 3.05 H new ATOM 0 HG23 THR A 56 8.155 -2.844 -11.812 1.00 3.05 H new ATOM 891 N ASP A 57 8.557 0.482 -8.786 1.00 0.67 N ATOM 892 CA ASP A 57 8.879 1.917 -8.494 1.00 1.08 C ATOM 893 C ASP A 57 7.860 2.590 -7.568 1.00 1.16 C ATOM 894 O ASP A 57 7.506 2.082 -6.523 1.00 1.85 O ATOM 895 CB ASP A 57 8.946 2.708 -9.804 1.00 1.56 C ATOM 896 CG ASP A 57 10.406 3.025 -10.125 1.00 2.24 C ATOM 897 OD1 ASP A 57 11.118 3.425 -9.216 1.00 2.90 O ATOM 898 OD2 ASP A 57 10.789 2.855 -11.270 1.00 2.77 O ATOM 0 H ASP A 57 9.247 -0.185 -8.442 1.00 0.67 H new ATOM 0 HA ASP A 57 9.841 1.919 -7.981 1.00 1.08 H new ATOM 0 HB2 ASP A 57 8.500 2.131 -10.614 1.00 1.56 H new ATOM 0 HB3 ASP A 57 8.372 3.630 -9.716 1.00 1.56 H new ATOM 903 N ARG A 58 7.438 3.776 -7.944 1.00 1.22 N ATOM 904 CA ARG A 58 6.489 4.575 -7.107 1.00 1.31 C ATOM 905 C ARG A 58 5.845 3.723 -6.018 1.00 1.09 C ATOM 906 O ARG A 58 5.215 4.243 -5.121 1.00 1.40 O ATOM 907 CB ARG A 58 5.399 5.196 -7.981 1.00 1.55 C ATOM 908 CG ARG A 58 5.458 6.719 -7.826 1.00 1.95 C ATOM 909 CD ARG A 58 4.720 7.388 -8.984 1.00 2.28 C ATOM 910 NE ARG A 58 5.334 6.969 -10.274 1.00 2.85 N ATOM 911 CZ ARG A 58 4.590 6.821 -11.334 1.00 3.46 C ATOM 912 NH1 ARG A 58 3.944 5.700 -11.520 1.00 3.98 N ATOM 913 NH2 ARG A 58 4.488 7.792 -12.207 1.00 3.95 N ATOM 0 H ARG A 58 7.718 4.231 -8.813 1.00 1.22 H new ATOM 0 HA ARG A 58 7.066 5.365 -6.627 1.00 1.31 H new ATOM 0 HB2 ARG A 58 5.545 4.916 -9.024 1.00 1.55 H new ATOM 0 HB3 ARG A 58 4.418 4.823 -7.685 1.00 1.55 H new ATOM 0 HG2 ARG A 58 5.009 7.014 -6.878 1.00 1.95 H new ATOM 0 HG3 ARG A 58 6.496 7.051 -7.804 1.00 1.95 H new ATOM 0 HD2 ARG A 58 3.666 7.112 -8.965 1.00 2.28 H new ATOM 0 HD3 ARG A 58 4.768 8.472 -8.882 1.00 2.28 H new ATOM 0 HE ARG A 58 6.338 6.798 -10.328 1.00 2.85 H new ATOM 0 HH11 ARG A 58 4.023 4.946 -10.837 1.00 3.98 H new ATOM 0 HH12 ARG A 58 3.360 5.579 -12.348 1.00 3.98 H new ATOM 0 HH21 ARG A 58 4.991 8.667 -12.058 1.00 3.95 H new ATOM 0 HH22 ARG A 58 3.905 7.674 -13.036 1.00 3.95 H new ATOM 927 N CYS A 59 5.984 2.436 -6.070 1.00 0.93 N ATOM 928 CA CYS A 59 5.355 1.610 -5.008 1.00 0.83 C ATOM 929 C CYS A 59 6.240 0.404 -4.691 1.00 0.67 C ATOM 930 O CYS A 59 5.913 -0.720 -5.010 1.00 0.80 O ATOM 931 CB CYS A 59 3.976 1.157 -5.488 1.00 1.02 C ATOM 932 SG CYS A 59 3.993 1.005 -7.291 1.00 1.09 S ATOM 0 H CYS A 59 6.496 1.923 -6.788 1.00 0.93 H new ATOM 0 HA CYS A 59 5.244 2.197 -4.096 1.00 0.83 H new ATOM 0 HB2 CYS A 59 3.715 0.201 -5.033 1.00 1.02 H new ATOM 0 HB3 CYS A 59 3.216 1.875 -5.179 1.00 1.02 H new ATOM 937 N ASN A 60 7.359 0.636 -4.058 1.00 0.71 N ATOM 938 CA ASN A 60 8.269 -0.490 -3.709 1.00 0.84 C ATOM 939 C ASN A 60 9.569 -0.360 -4.505 1.00 1.63 C ATOM 940 O ASN A 60 10.306 0.577 -4.247 1.00 2.43 O ATOM 941 CB ASN A 60 7.578 -1.815 -4.044 1.00 1.44 C ATOM 942 CG ASN A 60 8.586 -2.963 -3.983 1.00 1.56 C ATOM 943 OD1 ASN A 60 9.700 -2.836 -4.448 1.00 2.07 O ATOM 944 ND2 ASN A 60 8.233 -4.085 -3.421 1.00 1.90 N ATOM 945 OXT ASN A 60 9.809 -1.196 -5.361 1.00 2.24 O ATOM 0 H ASN A 60 7.681 1.559 -3.768 1.00 0.71 H new ATOM 0 HA ASN A 60 8.501 -0.464 -2.644 1.00 0.84 H new ATOM 0 HB2 ASN A 60 6.764 -1.997 -3.342 1.00 1.44 H new ATOM 0 HB3 ASN A 60 7.135 -1.762 -5.039 1.00 1.44 H new ATOM 0 HD21 ASN A 60 8.894 -4.860 -3.371 1.00 1.90 H new ATOM 0 HD22 ASN A 60 7.296 -4.188 -3.031 1.00 1.90 H new TER 952 ASN A 60 CONECT 49 336 CONECT 240 616 CONECT 336 49 CONECT 616 240 CONECT 673 848 CONECT 848 673 CONECT 858 932 CONECT 932 858 END