USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 336 hydrogens (0 hets) HEADER HEPARIN-BINDING GROWTH FACTOR 16-MAR-99 1MKC TITLE C-TERMINAL DOMAIN OF MIDKINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (MIDKINE); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE SOURCE 4 SEQUENCE OF THIS PROTEIN IS NATURALLY FOUND IN HOMO SOURCE 5 SAPIENS (HUMAN). KEYWDS HEPARIN-BINDING GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR W.IWASAKI,K.NAGATA,H.HATANAKA,K.OGURA,T.INUI,T.KIMURA, AUTHOR 2 T.MURAMATSU,K.YOSHIDA,M.TASUMI,F.INAGAKI REVDAT 4 24-FEB-09 1MKC 1 VERSN REVDAT 3 01-APR-03 1MKC 1 JRNL REVDAT 2 21-APR-99 1MKC 1 REMARK REVDAT 1 23-MAR-99 1MKC 0 JRNL AUTH W.IWASAKI,K.NAGATA,H.HATANAKA,T.INUI,T.KIMURA, JRNL AUTH 2 T.MURAMATSU,K.YOSHIDA,M.TASUMI,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF MIDKINE, A NEW JRNL TITL 2 HEPARIN-BINDING GROWTH FACTOR. JRNL REF EMBO J. V. 16 6936 1997 JRNL REFN ISSN 0261-4189 JRNL PMID 9384573 JRNL DOI 10.1093/EMBOJ/16.23.6936 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MKC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-99. REMARK 100 THE RCSB ID CODE IS RCSB000660. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 10% WATER/90% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY 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: MEAN STRUCTURE. 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 LYS A 63 -151.93 -124.14 REMARK 500 TYR A 64 102.20 -162.50 REMARK 500 LYS A 65 85.13 -154.00 REMARK 500 PHE A 66 -161.85 -169.69 REMARK 500 CYS A 72 158.02 -36.97 REMARK 500 ASP A 73 175.16 83.45 REMARK 500 THR A 76 -58.48 -130.55 REMARK 500 LYS A 87 93.70 27.78 REMARK 500 TYR A 90 -57.58 -120.14 REMARK 500 ALA A 92 -74.31 76.45 REMARK 500 GLN A 95 95.57 -58.30 REMARK 500 GLU A 96 -71.58 -36.41 REMARK 500 LYS A 102 -60.44 -177.31 REMARK 500 PRO A 103 -84.99 -78.65 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 81 0.32 SIDE_CHAIN REMARK 500 ARG A 89 0.08 SIDE_CHAIN REMARK 500 ARG A 99 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1MKC A 62 104 UNP P21741 MK_HUMAN 84 126 SEQRES 1 A 43 CYS LYS TYR LYS PHE GLU ASN TRP GLY ALA CYS ASP GLY SEQRES 2 A 43 GLY THR GLY THR LYS VAL ARG GLN GLY THR LEU LYS LYS SEQRES 3 A 43 ALA ARG TYR ASN ALA GLN CYS GLN GLU THR ILE ARG VAL SEQRES 4 A 43 THR LYS PRO CYS SHEET 1 B1 3 TYR A 64 ASP A 73 0 SHEET 2 B1 3 THR A 78 LEU A 85 -1 O GLN A 82 N GLU A 67 SHEET 3 B1 3 THR A 97 THR A 101 -1 O VAL A 100 N ARG A 81 SSBOND *** CYS A 62 CYS A 94 1555 1555 2.02 SSBOND *** CYS A 72 CYS A 104 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 Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.14) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.76! USER MOD Single : A 78 THR OG1 : rot -79:sc= -3.91! USER MOD Single : A 79 LYS NZ :NH3+ -132:sc= -3.44! (180deg=-3.86!) USER MOD Single : A 82 GLN : amide:sc= -8.23! C(o=-8.2!,f=-10!) USER MOD Single : A 84 THR OG1 : rot -97:sc= -8.4! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.98! USER MOD Single : A 91 ASN : amide:sc= -11.7! C(o=-12!,f=-19!) USER MOD Single : A 93 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.0092) USER MOD Single : A 95 GLN : amide:sc= -7.43! C(o=-7.4!,f=-6.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 145:sc= -0.116 (180deg=-0.869) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 62 -0.618 1.209 -0.008 1.00 0.00 N ATOM 2 CA CYS A 62 -0.861 0.001 0.829 1.00 0.00 C ATOM 3 C CYS A 62 -1.622 -1.041 0.007 1.00 0.00 C ATOM 4 O CYS A 62 -2.476 -0.711 -0.792 1.00 0.00 O ATOM 5 CB CYS A 62 -1.690 0.389 2.056 1.00 0.00 C ATOM 6 SG CYS A 62 -0.644 1.281 3.234 1.00 0.00 S ATOM 0 HA CYS A 62 0.092 -0.416 1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.532 1.013 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.105 -0.503 2.525 1.00 0.00 H new ATOM 13 N LYS A 63 -1.319 -2.297 0.193 1.00 0.00 N ATOM 14 CA LYS A 63 -2.027 -3.355 -0.583 1.00 0.00 C ATOM 15 C LYS A 63 -2.662 -4.361 0.381 1.00 0.00 C ATOM 16 O LYS A 63 -3.012 -4.031 1.496 1.00 0.00 O ATOM 17 CB LYS A 63 -1.032 -4.077 -1.494 1.00 0.00 C ATOM 18 CG LYS A 63 -1.683 -4.337 -2.855 1.00 0.00 C ATOM 19 CD LYS A 63 -0.608 -4.345 -3.944 1.00 0.00 C ATOM 20 CE LYS A 63 -0.534 -2.964 -4.597 1.00 0.00 C ATOM 21 NZ LYS A 63 -1.130 -3.027 -5.962 1.00 0.00 N ATOM 0 H LYS A 63 -0.614 -2.636 0.847 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.806 -2.895 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.132 -3.474 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.724 -5.019 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.209 -5.292 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.425 -3.567 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.358 -4.608 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.840 -5.102 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.068 -2.233 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.503 -2.633 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.080 -2.088 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.602 -3.712 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.124 -3.325 -5.893 1.00 0.00 H new ATOM 35 N TYR A 64 -2.819 -5.584 -0.045 1.00 0.00 N ATOM 36 CA TYR A 64 -3.439 -6.610 0.842 1.00 0.00 C ATOM 37 C TYR A 64 -3.117 -8.013 0.303 1.00 0.00 C ATOM 38 O TYR A 64 -3.724 -8.481 -0.639 1.00 0.00 O ATOM 39 CB TYR A 64 -4.956 -6.408 0.859 1.00 0.00 C ATOM 40 CG TYR A 64 -5.512 -6.655 -0.523 1.00 0.00 C ATOM 41 CD1 TYR A 64 -5.231 -5.759 -1.562 1.00 0.00 C ATOM 42 CD2 TYR A 64 -6.305 -7.782 -0.766 1.00 0.00 C ATOM 43 CE1 TYR A 64 -5.745 -5.991 -2.844 1.00 0.00 C ATOM 44 CE2 TYR A 64 -6.818 -8.014 -2.048 1.00 0.00 C ATOM 45 CZ TYR A 64 -6.539 -7.118 -3.086 1.00 0.00 C ATOM 46 OH TYR A 64 -7.045 -7.348 -4.349 1.00 0.00 O ATOM 0 H TYR A 64 -2.545 -5.918 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.043 -6.510 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -5.416 -7.089 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.195 -5.395 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.618 -4.890 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -6.521 -8.473 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.529 -5.300 -3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.429 -8.885 -2.236 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.573 -8.173 -4.344 1.00 0.00 H new ATOM 56 N LYS A 65 -2.177 -8.690 0.902 1.00 0.00 N ATOM 57 CA LYS A 65 -1.823 -10.067 0.440 1.00 0.00 C ATOM 58 C LYS A 65 -1.233 -10.825 1.625 1.00 0.00 C ATOM 59 O LYS A 65 -0.036 -10.863 1.832 1.00 0.00 O ATOM 60 CB LYS A 65 -0.808 -10.002 -0.708 1.00 0.00 C ATOM 61 CG LYS A 65 -0.747 -11.362 -1.406 1.00 0.00 C ATOM 62 CD LYS A 65 0.039 -12.343 -0.534 1.00 0.00 C ATOM 63 CE LYS A 65 0.598 -13.468 -1.407 1.00 0.00 C ATOM 64 NZ LYS A 65 1.818 -14.033 -0.766 1.00 0.00 N ATOM 0 H LYS A 65 -1.635 -8.349 1.696 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.712 -10.578 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.095 -9.228 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.176 -9.733 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.755 -11.740 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.271 -11.262 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.852 -11.824 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.607 -12.756 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.152 -14.248 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.839 -13.087 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.199 -14.798 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.534 -13.286 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.574 -14.410 0.172 1.00 0.00 H new ATOM 78 N PHE A 66 -2.079 -11.403 2.423 1.00 0.00 N ATOM 79 CA PHE A 66 -1.603 -12.132 3.628 1.00 0.00 C ATOM 80 C PHE A 66 -2.763 -12.918 4.231 1.00 0.00 C ATOM 81 O PHE A 66 -3.786 -13.106 3.603 1.00 0.00 O ATOM 82 CB PHE A 66 -1.127 -11.102 4.653 1.00 0.00 C ATOM 83 CG PHE A 66 -2.184 -10.032 4.884 1.00 0.00 C ATOM 84 CD1 PHE A 66 -3.484 -10.151 4.353 1.00 0.00 C ATOM 85 CD2 PHE A 66 -1.851 -8.906 5.644 1.00 0.00 C ATOM 86 CE1 PHE A 66 -4.430 -9.147 4.584 1.00 0.00 C ATOM 87 CE2 PHE A 66 -2.801 -7.905 5.870 1.00 0.00 C ATOM 88 CZ PHE A 66 -4.089 -8.025 5.341 1.00 0.00 C ATOM 0 H PHE A 66 -3.091 -11.402 2.292 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.795 -12.813 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.898 -11.600 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.204 -10.637 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.750 -11.018 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.858 -8.809 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.426 -9.240 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.538 -7.036 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.820 -7.250 5.518 1.00 0.00 H new ATOM 98 N GLU A 67 -2.648 -13.320 5.464 1.00 0.00 N ATOM 99 CA GLU A 67 -3.789 -14.013 6.100 1.00 0.00 C ATOM 100 C GLU A 67 -4.787 -12.920 6.464 1.00 0.00 C ATOM 101 O GLU A 67 -4.433 -11.936 7.082 1.00 0.00 O ATOM 102 CB GLU A 67 -3.334 -14.744 7.363 1.00 0.00 C ATOM 103 CG GLU A 67 -2.409 -15.901 6.979 1.00 0.00 C ATOM 104 CD GLU A 67 -2.426 -16.958 8.086 1.00 0.00 C ATOM 105 OE1 GLU A 67 -1.989 -16.647 9.181 1.00 0.00 O ATOM 106 OE2 GLU A 67 -2.876 -18.060 7.818 1.00 0.00 O ATOM 0 H GLU A 67 -1.822 -13.199 6.050 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.225 -14.757 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.814 -14.054 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.199 -15.122 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.733 -16.342 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.394 -15.534 6.828 1.00 0.00 H new ATOM 113 N ASN A 68 -6.013 -13.046 6.062 1.00 0.00 N ATOM 114 CA ASN A 68 -6.985 -11.963 6.369 1.00 0.00 C ATOM 115 C ASN A 68 -7.348 -12.000 7.844 1.00 0.00 C ATOM 116 O ASN A 68 -6.809 -12.778 8.605 1.00 0.00 O ATOM 117 CB ASN A 68 -8.244 -12.136 5.516 1.00 0.00 C ATOM 118 CG ASN A 68 -8.130 -11.271 4.259 1.00 0.00 C ATOM 119 OD1 ASN A 68 -8.332 -11.747 3.160 1.00 0.00 O ATOM 120 ND2 ASN A 68 -7.813 -10.010 4.375 1.00 0.00 N ATOM 0 H ASN A 68 -6.385 -13.840 5.540 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.531 -10.999 6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.368 -13.183 5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.126 -11.850 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.735 -9.425 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.643 -9.610 5.298 1.00 0.00 H new ATOM 127 N TRP A 69 -8.233 -11.143 8.268 1.00 0.00 N ATOM 128 CA TRP A 69 -8.579 -11.127 9.706 1.00 0.00 C ATOM 129 C TRP A 69 -9.881 -11.883 9.968 1.00 0.00 C ATOM 130 O TRP A 69 -10.422 -12.540 9.100 1.00 0.00 O ATOM 131 CB TRP A 69 -8.720 -9.684 10.193 1.00 0.00 C ATOM 132 CG TRP A 69 -7.506 -9.367 10.981 1.00 0.00 C ATOM 133 CD1 TRP A 69 -6.832 -10.275 11.724 1.00 0.00 C ATOM 134 CD2 TRP A 69 -6.792 -8.105 11.130 1.00 0.00 C ATOM 135 NE1 TRP A 69 -5.741 -9.678 12.275 1.00 0.00 N ATOM 136 CE2 TRP A 69 -5.675 -8.347 11.959 1.00 0.00 C ATOM 137 CE3 TRP A 69 -6.978 -6.787 10.635 1.00 0.00 C ATOM 138 CZ2 TRP A 69 -4.789 -7.354 12.285 1.00 0.00 C ATOM 139 CZ3 TRP A 69 -6.055 -5.771 10.983 1.00 0.00 C ATOM 140 CH2 TRP A 69 -4.964 -6.089 11.813 1.00 0.00 C ATOM 0 H TRP A 69 -8.723 -10.463 7.687 1.00 0.00 H new ATOM 0 HA TRP A 69 -7.776 -11.622 10.252 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -8.820 -9.001 9.349 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -9.616 -9.570 10.804 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -7.115 -11.309 11.858 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -5.055 -10.163 12.854 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -7.819 -6.561 9.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -3.945 -7.576 12.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -6.187 -4.764 10.616 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -4.255 -5.319 12.079 1.00 0.00 H new ATOM 151 N GLY A 70 -10.385 -11.791 11.171 1.00 0.00 N ATOM 152 CA GLY A 70 -11.652 -12.496 11.514 1.00 0.00 C ATOM 153 C GLY A 70 -12.219 -11.920 12.816 1.00 0.00 C ATOM 154 O GLY A 70 -13.190 -11.190 12.810 1.00 0.00 O ATOM 0 H GLY A 70 -9.970 -11.255 11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.375 -12.380 10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.468 -13.564 11.626 1.00 0.00 H new ATOM 158 N ALA A 71 -11.625 -12.247 13.933 1.00 0.00 N ATOM 159 CA ALA A 71 -12.130 -11.728 15.229 1.00 0.00 C ATOM 160 C ALA A 71 -10.987 -11.705 16.247 1.00 0.00 C ATOM 161 O ALA A 71 -10.185 -12.615 16.313 1.00 0.00 O ATOM 162 CB ALA A 71 -13.235 -12.651 15.730 1.00 0.00 C ATOM 0 H ALA A 71 -10.808 -12.854 13.999 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.519 -10.718 15.099 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.615 -12.280 16.682 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.045 -12.677 15.002 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.836 -13.656 15.865 1.00 0.00 H new ATOM 168 N CYS A 72 -10.909 -10.664 17.032 1.00 0.00 N ATOM 169 CA CYS A 72 -9.823 -10.554 18.056 1.00 0.00 C ATOM 170 C CYS A 72 -9.525 -11.929 18.662 1.00 0.00 C ATOM 171 O CYS A 72 -10.350 -12.820 18.628 1.00 0.00 O ATOM 172 CB CYS A 72 -10.260 -9.609 19.186 1.00 0.00 C ATOM 173 SG CYS A 72 -8.975 -9.624 20.466 1.00 0.00 S ATOM 0 H CYS A 72 -11.556 -9.876 17.009 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.930 -10.164 17.567 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -10.403 -8.599 18.803 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.215 -9.930 19.602 1.00 0.00 H new ATOM 178 N ASP A 73 -8.351 -12.099 19.221 1.00 0.00 N ATOM 179 CA ASP A 73 -7.985 -13.405 19.844 1.00 0.00 C ATOM 180 C ASP A 73 -7.475 -14.367 18.772 1.00 0.00 C ATOM 181 O ASP A 73 -7.484 -14.066 17.595 1.00 0.00 O ATOM 182 CB ASP A 73 -9.206 -14.013 20.542 1.00 0.00 C ATOM 183 CG ASP A 73 -8.800 -14.527 21.924 1.00 0.00 C ATOM 184 OD1 ASP A 73 -8.026 -15.468 21.981 1.00 0.00 O ATOM 185 OD2 ASP A 73 -9.272 -13.971 22.903 1.00 0.00 O ATOM 0 H ASP A 73 -7.627 -11.382 19.271 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.199 -13.237 20.580 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.993 -13.265 20.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.612 -14.829 19.944 1.00 0.00 H new ATOM 190 N GLY A 74 -7.023 -15.522 19.175 1.00 0.00 N ATOM 191 CA GLY A 74 -6.502 -16.508 18.189 1.00 0.00 C ATOM 192 C GLY A 74 -5.234 -17.159 18.745 1.00 0.00 C ATOM 193 O GLY A 74 -4.710 -18.100 18.182 1.00 0.00 O ATOM 0 H GLY A 74 -6.992 -15.826 20.148 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.256 -17.269 17.985 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.285 -16.013 17.242 1.00 0.00 H new ATOM 197 N GLY A 75 -4.736 -16.669 19.850 1.00 0.00 N ATOM 198 CA GLY A 75 -3.504 -17.266 20.440 1.00 0.00 C ATOM 199 C GLY A 75 -2.523 -16.161 20.847 1.00 0.00 C ATOM 200 O GLY A 75 -1.434 -16.432 21.311 1.00 0.00 O ATOM 0 H GLY A 75 -5.129 -15.883 20.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.764 -17.870 21.309 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.033 -17.933 19.718 1.00 0.00 H new ATOM 204 N THR A 76 -2.892 -14.918 20.678 1.00 0.00 N ATOM 205 CA THR A 76 -1.964 -13.815 21.060 1.00 0.00 C ATOM 206 C THR A 76 -2.701 -12.788 21.926 1.00 0.00 C ATOM 207 O THR A 76 -2.313 -12.518 23.045 1.00 0.00 O ATOM 208 CB THR A 76 -1.433 -13.133 19.796 1.00 0.00 C ATOM 209 OG1 THR A 76 -2.309 -12.079 19.422 1.00 0.00 O ATOM 210 CG2 THR A 76 -1.346 -14.154 18.660 1.00 0.00 C ATOM 0 H THR A 76 -3.789 -14.621 20.295 1.00 0.00 H new ATOM 0 HA THR A 76 -1.131 -14.229 21.629 1.00 0.00 H new ATOM 0 HB THR A 76 -0.441 -12.727 19.993 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.968 -11.641 18.614 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.968 -13.667 17.761 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.671 -14.961 18.947 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.337 -14.563 18.462 1.00 0.00 H new ATOM 218 N GLY A 77 -3.758 -12.210 21.420 1.00 0.00 N ATOM 219 CA GLY A 77 -4.508 -11.200 22.222 1.00 0.00 C ATOM 220 C GLY A 77 -5.405 -10.374 21.299 1.00 0.00 C ATOM 221 O GLY A 77 -6.589 -10.260 21.518 1.00 0.00 O ATOM 0 H GLY A 77 -4.133 -12.393 20.489 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.111 -11.699 22.981 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.811 -10.547 22.747 1.00 0.00 H new ATOM 225 N THR A 78 -4.843 -9.806 20.267 1.00 0.00 N ATOM 226 CA THR A 78 -5.646 -8.988 19.306 1.00 0.00 C ATOM 227 C THR A 78 -5.689 -9.729 17.976 1.00 0.00 C ATOM 228 O THR A 78 -5.121 -10.795 17.842 1.00 0.00 O ATOM 229 CB THR A 78 -4.960 -7.639 19.088 1.00 0.00 C ATOM 230 OG1 THR A 78 -4.775 -7.435 17.695 1.00 0.00 O ATOM 231 CG2 THR A 78 -3.601 -7.631 19.789 1.00 0.00 C ATOM 0 H THR A 78 -3.850 -9.873 20.044 1.00 0.00 H new ATOM 0 HA THR A 78 -6.651 -8.829 19.698 1.00 0.00 H new ATOM 0 HB THR A 78 -5.579 -6.843 19.501 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.997 -7.947 17.390 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.116 -6.668 19.631 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.742 -7.796 20.857 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.975 -8.424 19.379 1.00 0.00 H new ATOM 239 N LYS A 79 -6.298 -9.170 16.967 1.00 0.00 N ATOM 240 CA LYS A 79 -6.271 -9.876 15.662 1.00 0.00 C ATOM 241 C LYS A 79 -5.032 -9.393 14.958 1.00 0.00 C ATOM 242 O LYS A 79 -4.950 -8.240 14.608 1.00 0.00 O ATOM 243 CB LYS A 79 -7.461 -9.536 14.742 1.00 0.00 C ATOM 244 CG LYS A 79 -8.615 -8.886 15.500 1.00 0.00 C ATOM 245 CD LYS A 79 -8.943 -7.552 14.826 1.00 0.00 C ATOM 246 CE LYS A 79 -10.101 -7.745 13.847 1.00 0.00 C ATOM 247 NZ LYS A 79 -9.571 -8.214 12.536 1.00 0.00 N ATOM 0 H LYS A 79 -6.798 -8.281 16.988 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.306 -10.948 15.857 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.125 -8.865 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.815 -10.447 14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.488 -9.539 15.495 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.342 -8.727 16.543 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.209 -6.809 15.578 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.067 -7.174 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.810 -8.471 14.245 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.642 -6.808 13.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.987 -7.647 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.536 -8.108 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.819 -9.215 12.399 1.00 0.00 H new ATOM 261 N VAL A 80 -4.069 -10.225 14.717 1.00 0.00 N ATOM 262 CA VAL A 80 -2.895 -9.702 13.992 1.00 0.00 C ATOM 263 C VAL A 80 -2.713 -10.437 12.691 1.00 0.00 C ATOM 264 O VAL A 80 -2.689 -11.651 12.638 1.00 0.00 O ATOM 265 CB VAL A 80 -1.618 -9.808 14.792 1.00 0.00 C ATOM 266 CG1 VAL A 80 -1.530 -11.165 15.480 1.00 0.00 C ATOM 267 CG2 VAL A 80 -0.442 -9.600 13.830 1.00 0.00 C ATOM 0 H VAL A 80 -4.042 -11.210 14.980 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.093 -8.645 13.811 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.595 -9.049 15.574 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.604 -11.224 16.052 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.380 -11.288 16.152 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.544 -11.955 14.729 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.496 -9.671 14.381 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.466 -10.366 13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.518 -8.615 13.370 1.00 0.00 H new ATOM 277 N ARG A 81 -2.550 -9.704 11.641 1.00 0.00 N ATOM 278 CA ARG A 81 -2.327 -10.374 10.329 1.00 0.00 C ATOM 279 C ARG A 81 -0.999 -9.878 9.770 1.00 0.00 C ATOM 280 O ARG A 81 -0.880 -8.750 9.335 1.00 0.00 O ATOM 281 CB ARG A 81 -3.451 -10.049 9.341 1.00 0.00 C ATOM 282 CG ARG A 81 -3.411 -8.552 9.041 1.00 0.00 C ATOM 283 CD ARG A 81 -4.824 -8.002 9.002 1.00 0.00 C ATOM 284 NE ARG A 81 -5.011 -7.156 7.790 1.00 0.00 N ATOM 285 CZ ARG A 81 -6.214 -6.900 7.352 1.00 0.00 C ATOM 286 NH1 ARG A 81 -6.786 -7.710 6.502 1.00 0.00 N ATOM 287 NH2 ARG A 81 -6.847 -5.837 7.767 1.00 0.00 N ATOM 0 H ARG A 81 -2.560 -8.684 11.623 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.314 -11.454 10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.327 -10.623 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.418 -10.326 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.829 -8.034 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.915 -8.375 8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.542 -8.822 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.019 -7.414 9.899 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.199 -6.777 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.293 -8.543 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.726 -7.510 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.402 -5.206 8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.787 -5.637 7.425 1.00 0.00 H new ATOM 301 N GLN A 82 0.008 -10.702 9.778 1.00 0.00 N ATOM 302 CA GLN A 82 1.315 -10.237 9.240 1.00 0.00 C ATOM 303 C GLN A 82 1.250 -10.302 7.732 1.00 0.00 C ATOM 304 O GLN A 82 0.651 -11.195 7.166 1.00 0.00 O ATOM 305 CB GLN A 82 2.482 -11.118 9.730 1.00 0.00 C ATOM 306 CG GLN A 82 3.713 -10.994 8.785 1.00 0.00 C ATOM 307 CD GLN A 82 4.691 -9.924 9.298 1.00 0.00 C ATOM 308 OE1 GLN A 82 5.392 -10.144 10.266 1.00 0.00 O ATOM 309 NE2 GLN A 82 4.778 -8.769 8.679 1.00 0.00 N ATOM 0 H GLN A 82 -0.014 -11.660 10.127 1.00 0.00 H new ATOM 0 HA GLN A 82 1.496 -9.221 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.764 -10.824 10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.161 -12.158 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.222 -11.955 8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.380 -10.737 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.191 -8.581 7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.432 -8.060 9.011 1.00 0.00 H new ATOM 318 N GLY A 83 1.879 -9.391 7.063 1.00 0.00 N ATOM 319 CA GLY A 83 1.847 -9.471 5.578 1.00 0.00 C ATOM 320 C GLY A 83 1.246 -8.208 4.980 1.00 0.00 C ATOM 321 O GLY A 83 0.936 -7.262 5.674 1.00 0.00 O ATOM 0 H GLY A 83 2.403 -8.611 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.858 -9.614 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.263 -10.338 5.269 1.00 0.00 H new ATOM 325 N THR A 84 1.093 -8.179 3.688 1.00 0.00 N ATOM 326 CA THR A 84 0.546 -6.966 3.040 1.00 0.00 C ATOM 327 C THR A 84 -0.783 -6.591 3.684 1.00 0.00 C ATOM 328 O THR A 84 -1.745 -7.328 3.633 1.00 0.00 O ATOM 329 CB THR A 84 0.357 -7.242 1.553 1.00 0.00 C ATOM 330 OG1 THR A 84 0.292 -8.640 1.355 1.00 0.00 O ATOM 331 CG2 THR A 84 1.535 -6.677 0.760 1.00 0.00 C ATOM 0 H THR A 84 1.324 -8.945 3.055 1.00 0.00 H new ATOM 0 HA THR A 84 1.238 -6.133 3.167 1.00 0.00 H new ATOM 0 HB THR A 84 -0.562 -6.767 1.210 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.173 -8.974 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.390 -6.880 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.597 -5.600 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.459 -7.147 1.096 1.00 0.00 H new ATOM 339 N LEU A 85 -0.829 -5.443 4.296 1.00 0.00 N ATOM 340 CA LEU A 85 -2.077 -4.992 4.972 1.00 0.00 C ATOM 341 C LEU A 85 -2.613 -3.733 4.282 1.00 0.00 C ATOM 342 O LEU A 85 -1.934 -2.730 4.188 1.00 0.00 O ATOM 343 CB LEU A 85 -1.754 -4.688 6.448 1.00 0.00 C ATOM 344 CG LEU A 85 -2.897 -3.913 7.126 1.00 0.00 C ATOM 345 CD1 LEU A 85 -2.636 -2.415 6.979 1.00 0.00 C ATOM 346 CD2 LEU A 85 -4.247 -4.253 6.483 1.00 0.00 C ATOM 0 H LEU A 85 -0.048 -4.790 4.358 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.837 -5.771 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.578 -5.621 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.833 -4.108 6.508 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.934 -4.194 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.441 -1.857 7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.688 -2.163 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.592 -2.155 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.038 -3.692 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.224 -3.988 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.440 -5.321 6.585 1.00 0.00 H new ATOM 358 N LYS A 86 -3.828 -3.779 3.802 1.00 0.00 N ATOM 359 CA LYS A 86 -4.413 -2.595 3.131 1.00 0.00 C ATOM 360 C LYS A 86 -4.919 -1.610 4.189 1.00 0.00 C ATOM 361 O LYS A 86 -6.106 -1.500 4.423 1.00 0.00 O ATOM 362 CB LYS A 86 -5.578 -3.032 2.241 1.00 0.00 C ATOM 363 CG LYS A 86 -5.216 -2.793 0.774 1.00 0.00 C ATOM 364 CD LYS A 86 -6.431 -2.236 0.029 1.00 0.00 C ATOM 365 CE LYS A 86 -7.537 -3.292 -0.006 1.00 0.00 C ATOM 366 NZ LYS A 86 -8.839 -2.663 0.355 1.00 0.00 N ATOM 0 H LYS A 86 -4.439 -4.594 3.849 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.652 -2.113 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.799 -4.087 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.477 -2.474 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.382 -2.094 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.890 -3.725 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.791 -1.333 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.151 -1.954 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.599 -3.736 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.306 -4.099 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.590 -3.382 0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.776 -2.260 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.060 -1.908 -0.325 1.00 0.00 H new ATOM 380 N LYS A 87 -4.013 -0.907 4.826 1.00 0.00 N ATOM 381 CA LYS A 87 -4.382 0.085 5.889 1.00 0.00 C ATOM 382 C LYS A 87 -5.694 -0.302 6.579 1.00 0.00 C ATOM 383 O LYS A 87 -6.766 0.044 6.128 1.00 0.00 O ATOM 384 CB LYS A 87 -4.518 1.482 5.273 1.00 0.00 C ATOM 385 CG LYS A 87 -5.727 1.536 4.334 1.00 0.00 C ATOM 386 CD LYS A 87 -6.824 2.399 4.963 1.00 0.00 C ATOM 387 CE LYS A 87 -7.370 3.373 3.918 1.00 0.00 C ATOM 388 NZ LYS A 87 -8.807 3.650 4.200 1.00 0.00 N ATOM 0 H LYS A 87 -3.011 -0.980 4.650 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.589 0.088 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.629 2.225 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.611 1.734 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.433 1.949 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.102 0.530 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.627 1.766 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.425 2.949 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.799 4.301 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.259 2.951 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.179 4.312 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.346 2.761 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.900 4.070 5.147 1.00 0.00 H new ATOM 402 N ALA A 88 -5.627 -1.010 7.676 1.00 0.00 N ATOM 403 CA ALA A 88 -6.879 -1.390 8.374 1.00 0.00 C ATOM 404 C ALA A 88 -7.369 -0.230 9.226 1.00 0.00 C ATOM 405 O ALA A 88 -8.420 -0.290 9.832 1.00 0.00 O ATOM 406 CB ALA A 88 -6.603 -2.582 9.276 1.00 0.00 C ATOM 0 H ALA A 88 -4.765 -1.337 8.112 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.639 -1.644 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.519 -2.867 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.250 -3.420 8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.841 -2.315 10.009 1.00 0.00 H new ATOM 412 N ARG A 89 -6.595 0.803 9.296 1.00 0.00 N ATOM 413 CA ARG A 89 -6.971 1.972 10.131 1.00 0.00 C ATOM 414 C ARG A 89 -6.630 1.611 11.568 1.00 0.00 C ATOM 415 O ARG A 89 -7.222 2.083 12.518 1.00 0.00 O ATOM 416 CB ARG A 89 -8.464 2.242 9.984 1.00 0.00 C ATOM 417 CG ARG A 89 -8.716 3.750 9.911 1.00 0.00 C ATOM 418 CD ARG A 89 -9.964 4.016 9.066 1.00 0.00 C ATOM 419 NE ARG A 89 -10.476 5.386 9.349 1.00 0.00 N ATOM 420 CZ ARG A 89 -11.512 5.841 8.698 1.00 0.00 C ATOM 421 NH1 ARG A 89 -11.919 5.239 7.614 1.00 0.00 N ATOM 422 NH2 ARG A 89 -12.141 6.899 9.131 1.00 0.00 N ATOM 0 H ARG A 89 -5.705 0.893 8.806 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.438 2.873 9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.843 1.757 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.005 1.815 10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.849 4.157 10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.853 4.253 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.726 3.917 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.732 3.276 9.291 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.018 5.968 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.428 4.412 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.729 5.595 7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.823 7.370 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.951 7.255 8.623 1.00 0.00 H new ATOM 436 N TYR A 90 -5.663 0.751 11.703 1.00 0.00 N ATOM 437 CA TYR A 90 -5.214 0.286 13.031 1.00 0.00 C ATOM 438 C TYR A 90 -3.752 0.658 13.169 1.00 0.00 C ATOM 439 O TYR A 90 -3.348 1.380 14.059 1.00 0.00 O ATOM 440 CB TYR A 90 -5.364 -1.232 13.069 1.00 0.00 C ATOM 441 CG TYR A 90 -6.833 -1.579 13.021 1.00 0.00 C ATOM 442 CD1 TYR A 90 -7.755 -0.817 13.751 1.00 0.00 C ATOM 443 CD2 TYR A 90 -7.275 -2.652 12.240 1.00 0.00 C ATOM 444 CE1 TYR A 90 -9.118 -1.130 13.699 1.00 0.00 C ATOM 445 CE2 TYR A 90 -8.639 -2.966 12.190 1.00 0.00 C ATOM 446 CZ TYR A 90 -9.560 -2.204 12.919 1.00 0.00 C ATOM 447 OH TYR A 90 -10.904 -2.512 12.869 1.00 0.00 O ATOM 0 H TYR A 90 -5.153 0.342 10.920 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.794 0.734 13.838 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.842 -1.684 12.225 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.911 -1.633 13.976 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.414 0.012 14.354 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.565 -3.238 11.676 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.829 -0.542 14.261 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.980 -3.796 11.589 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.041 -3.284 12.281 1.00 0.00 H new ATOM 457 N ASN A 91 -2.970 0.182 12.258 1.00 0.00 N ATOM 458 CA ASN A 91 -1.522 0.508 12.270 1.00 0.00 C ATOM 459 C ASN A 91 -1.367 1.981 11.930 1.00 0.00 C ATOM 460 O ASN A 91 -0.479 2.647 12.417 1.00 0.00 O ATOM 461 CB ASN A 91 -0.772 -0.338 11.235 1.00 0.00 C ATOM 462 CG ASN A 91 -1.716 -0.714 10.092 1.00 0.00 C ATOM 463 OD1 ASN A 91 -2.068 -1.863 9.938 1.00 0.00 O ATOM 464 ND2 ASN A 91 -2.158 0.215 9.290 1.00 0.00 N ATOM 0 H ASN A 91 -3.270 -0.426 11.496 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.105 0.293 13.254 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.081 0.218 10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.378 -1.239 11.705 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.799 -0.026 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.862 1.183 9.419 1.00 0.00 H new ATOM 471 N ALA A 92 -2.244 2.494 11.106 1.00 0.00 N ATOM 472 CA ALA A 92 -2.169 3.936 10.736 1.00 0.00 C ATOM 473 C ALA A 92 -1.046 4.156 9.725 1.00 0.00 C ATOM 474 O ALA A 92 -1.287 4.336 8.547 1.00 0.00 O ATOM 475 CB ALA A 92 -1.881 4.738 11.986 1.00 0.00 C ATOM 0 H ALA A 92 -3.009 1.975 10.674 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.113 4.252 10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.823 5.797 11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.680 4.581 12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.933 4.415 12.415 1.00 0.00 H new ATOM 481 N GLN A 93 0.188 4.115 10.164 1.00 0.00 N ATOM 482 CA GLN A 93 1.311 4.293 9.205 1.00 0.00 C ATOM 483 C GLN A 93 1.084 3.323 8.067 1.00 0.00 C ATOM 484 O GLN A 93 1.515 3.516 6.947 1.00 0.00 O ATOM 485 CB GLN A 93 2.647 4.001 9.891 1.00 0.00 C ATOM 486 CG GLN A 93 2.768 4.853 11.156 1.00 0.00 C ATOM 487 CD GLN A 93 4.233 4.916 11.593 1.00 0.00 C ATOM 488 OE1 GLN A 93 4.563 4.558 12.706 1.00 0.00 O ATOM 489 NE2 GLN A 93 5.133 5.359 10.757 1.00 0.00 N ATOM 0 H GLN A 93 0.460 3.967 11.136 1.00 0.00 H new ATOM 0 HA GLN A 93 1.345 5.319 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.714 2.943 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.472 4.219 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.391 5.858 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.158 4.428 11.953 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.857 5.660 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.112 5.404 11.039 1.00 0.00 H new ATOM 498 N CYS A 94 0.360 2.302 8.365 1.00 0.00 N ATOM 499 CA CYS A 94 0.006 1.286 7.342 1.00 0.00 C ATOM 500 C CYS A 94 1.227 0.552 6.805 1.00 0.00 C ATOM 501 O CYS A 94 1.295 0.268 5.628 1.00 0.00 O ATOM 502 CB CYS A 94 -0.702 1.972 6.181 1.00 0.00 C ATOM 503 SG CYS A 94 -1.346 0.721 5.044 1.00 0.00 S ATOM 0 H CYS A 94 -0.015 2.117 9.295 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.642 0.552 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.516 2.594 6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.010 2.632 5.658 1.00 0.00 H new ATOM 508 N GLN A 95 2.165 0.186 7.633 1.00 0.00 N ATOM 509 CA GLN A 95 3.311 -0.593 7.085 1.00 0.00 C ATOM 510 C GLN A 95 2.683 -1.832 6.462 1.00 0.00 C ATOM 511 O GLN A 95 2.364 -2.788 7.133 1.00 0.00 O ATOM 512 CB GLN A 95 4.298 -1.002 8.180 1.00 0.00 C ATOM 513 CG GLN A 95 5.437 -1.818 7.549 1.00 0.00 C ATOM 514 CD GLN A 95 6.399 -2.316 8.635 1.00 0.00 C ATOM 515 OE1 GLN A 95 6.778 -1.568 9.514 1.00 0.00 O ATOM 516 NE2 GLN A 95 6.811 -3.561 8.614 1.00 0.00 N ATOM 0 H GLN A 95 2.191 0.384 8.633 1.00 0.00 H new ATOM 0 HA GLN A 95 3.880 -0.000 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.698 -0.117 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.790 -1.592 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.026 -2.666 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.977 -1.204 6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.494 -4.191 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.448 -3.899 9.335 1.00 0.00 H new ATOM 525 N GLU A 96 2.447 -1.778 5.194 1.00 0.00 N ATOM 526 CA GLU A 96 1.769 -2.891 4.490 1.00 0.00 C ATOM 527 C GLU A 96 2.179 -4.245 5.044 1.00 0.00 C ATOM 528 O GLU A 96 1.396 -4.908 5.694 1.00 0.00 O ATOM 529 CB GLU A 96 2.078 -2.775 3.003 1.00 0.00 C ATOM 530 CG GLU A 96 1.858 -4.111 2.306 1.00 0.00 C ATOM 531 CD GLU A 96 2.065 -3.926 0.802 1.00 0.00 C ATOM 532 OE1 GLU A 96 3.209 -3.895 0.381 1.00 0.00 O ATOM 533 OE2 GLU A 96 1.075 -3.818 0.097 1.00 0.00 O ATOM 0 H GLU A 96 2.701 -0.990 4.598 1.00 0.00 H new ATOM 0 HA GLU A 96 0.693 -2.817 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.442 -2.014 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.110 -2.451 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.552 -4.857 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.851 -4.479 2.505 1.00 0.00 H new ATOM 540 N THR A 97 3.364 -4.696 4.809 1.00 0.00 N ATOM 541 CA THR A 97 3.686 -6.035 5.352 1.00 0.00 C ATOM 542 C THR A 97 3.992 -5.973 6.819 1.00 0.00 C ATOM 543 O THR A 97 5.082 -5.642 7.236 1.00 0.00 O ATOM 544 CB THR A 97 4.843 -6.691 4.644 1.00 0.00 C ATOM 545 OG1 THR A 97 5.435 -5.784 3.724 1.00 0.00 O ATOM 546 CG2 THR A 97 4.329 -7.932 3.918 1.00 0.00 C ATOM 0 H THR A 97 4.101 -4.222 4.287 1.00 0.00 H new ATOM 0 HA THR A 97 2.794 -6.639 5.185 1.00 0.00 H new ATOM 0 HB THR A 97 5.605 -6.980 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.186 -6.221 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.155 -8.419 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.896 -8.623 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.568 -7.641 3.194 1.00 0.00 H new ATOM 554 N ILE A 98 3.023 -6.334 7.593 1.00 0.00 N ATOM 555 CA ILE A 98 3.206 -6.343 9.067 1.00 0.00 C ATOM 556 C ILE A 98 2.126 -7.132 9.789 1.00 0.00 C ATOM 557 O ILE A 98 0.985 -7.197 9.377 1.00 0.00 O ATOM 558 CB ILE A 98 3.116 -4.935 9.609 1.00 0.00 C ATOM 559 CG1 ILE A 98 1.757 -4.355 9.227 1.00 0.00 C ATOM 560 CG2 ILE A 98 4.235 -4.109 9.026 1.00 0.00 C ATOM 561 CD1 ILE A 98 1.684 -2.900 9.688 1.00 0.00 C ATOM 0 H ILE A 98 2.101 -6.627 7.270 1.00 0.00 H new ATOM 0 HA ILE A 98 4.180 -6.800 9.240 1.00 0.00 H new ATOM 0 HB ILE A 98 3.213 -4.931 10.695 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.613 -4.415 8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.958 -4.936 9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.176 -3.092 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.194 -4.548 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.145 -4.090 7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.715 -2.481 9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.810 -2.854 10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.475 -2.326 9.206 1.00 0.00 H new ATOM 573 N ARG A 99 2.487 -7.653 10.924 1.00 0.00 N ATOM 574 CA ARG A 99 1.511 -8.374 11.793 1.00 0.00 C ATOM 575 C ARG A 99 0.787 -7.296 12.580 1.00 0.00 C ATOM 576 O ARG A 99 1.232 -6.865 13.625 1.00 0.00 O ATOM 577 CB ARG A 99 2.232 -9.307 12.773 1.00 0.00 C ATOM 578 CG ARG A 99 3.697 -9.460 12.369 1.00 0.00 C ATOM 579 CD ARG A 99 4.200 -10.847 12.776 1.00 0.00 C ATOM 580 NE ARG A 99 5.530 -10.719 13.436 1.00 0.00 N ATOM 581 CZ ARG A 99 5.616 -10.227 14.641 1.00 0.00 C ATOM 582 NH1 ARG A 99 5.315 -10.969 15.672 1.00 0.00 N ATOM 583 NH2 ARG A 99 6.004 -8.994 14.816 1.00 0.00 N ATOM 0 H ARG A 99 3.436 -7.611 11.297 1.00 0.00 H new ATOM 0 HA ARG A 99 0.836 -8.984 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.165 -8.907 13.785 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.746 -10.282 12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.804 -9.325 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.299 -8.688 12.849 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.489 -11.319 13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.278 -11.489 11.899 1.00 0.00 H new ATOM 0 HE ARG A 99 6.373 -11.016 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.013 -11.933 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.382 -10.584 16.614 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.240 -8.414 14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.071 -8.609 15.758 1.00 0.00 H new ATOM 597 N VAL A 100 -0.290 -6.813 12.055 1.00 0.00 N ATOM 598 CA VAL A 100 -1.007 -5.706 12.738 1.00 0.00 C ATOM 599 C VAL A 100 -1.834 -6.208 13.921 1.00 0.00 C ATOM 600 O VAL A 100 -1.734 -7.338 14.321 1.00 0.00 O ATOM 601 CB VAL A 100 -1.893 -4.976 11.729 1.00 0.00 C ATOM 602 CG1 VAL A 100 -1.055 -3.920 11.022 1.00 0.00 C ATOM 603 CG2 VAL A 100 -2.438 -5.956 10.694 1.00 0.00 C ATOM 0 H VAL A 100 -0.710 -7.133 11.182 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.267 -5.014 13.139 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.731 -4.514 12.252 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.673 -3.390 10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.667 -3.213 11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.224 -4.401 10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.067 -5.421 9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.608 -6.425 10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.028 -6.723 11.195 1.00 0.00 H new ATOM 613 N THR A 101 -2.628 -5.346 14.500 1.00 0.00 N ATOM 614 CA THR A 101 -3.467 -5.734 15.677 1.00 0.00 C ATOM 615 C THR A 101 -4.584 -4.703 15.809 1.00 0.00 C ATOM 616 O THR A 101 -4.727 -3.847 14.959 1.00 0.00 O ATOM 617 CB THR A 101 -2.626 -5.727 16.954 1.00 0.00 C ATOM 618 OG1 THR A 101 -2.154 -4.413 17.211 1.00 0.00 O ATOM 619 CG2 THR A 101 -1.450 -6.672 16.796 1.00 0.00 C ATOM 0 H THR A 101 -2.733 -4.375 14.204 1.00 0.00 H new ATOM 0 HA THR A 101 -3.871 -6.736 15.533 1.00 0.00 H new ATOM 0 HB THR A 101 -3.242 -6.056 17.791 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.617 -4.413 18.031 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.852 -6.665 17.708 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.817 -7.682 16.610 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.834 -6.350 15.956 1.00 0.00 H new ATOM 627 N LYS A 102 -5.388 -4.742 16.843 1.00 0.00 N ATOM 628 CA LYS A 102 -6.452 -3.704 16.907 1.00 0.00 C ATOM 629 C LYS A 102 -7.309 -3.783 18.186 1.00 0.00 C ATOM 630 O LYS A 102 -7.416 -2.810 18.905 1.00 0.00 O ATOM 631 CB LYS A 102 -7.329 -3.864 15.648 1.00 0.00 C ATOM 632 CG LYS A 102 -8.807 -3.540 15.934 1.00 0.00 C ATOM 633 CD LYS A 102 -9.707 -4.470 15.117 1.00 0.00 C ATOM 634 CE LYS A 102 -10.738 -5.130 16.040 1.00 0.00 C ATOM 635 NZ LYS A 102 -11.471 -4.077 16.798 1.00 0.00 N ATOM 0 H LYS A 102 -5.357 -5.414 17.609 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.981 -2.722 16.941 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.959 -3.207 14.861 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.246 -4.885 15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.016 -3.658 16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.017 -2.501 15.681 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.214 -3.906 14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.105 -5.233 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.438 -5.726 15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.241 -5.811 16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.459 -4.371 16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.020 -3.940 17.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.446 -3.184 16.265 1.00 0.00 H new ATOM 649 N PRO A 103 -7.968 -4.895 18.382 1.00 0.00 N ATOM 650 CA PRO A 103 -8.912 -5.068 19.506 1.00 0.00 C ATOM 651 C PRO A 103 -8.242 -5.350 20.846 1.00 0.00 C ATOM 652 O PRO A 103 -8.051 -4.469 21.662 1.00 0.00 O ATOM 653 CB PRO A 103 -9.731 -6.287 19.090 1.00 0.00 C ATOM 654 CG PRO A 103 -8.857 -7.075 18.089 1.00 0.00 C ATOM 655 CD PRO A 103 -7.834 -6.082 17.519 1.00 0.00 C ATOM 0 HA PRO A 103 -9.483 -4.154 19.668 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.981 -6.901 19.955 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -10.672 -5.985 18.631 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.355 -7.906 18.584 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.468 -7.501 17.293 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.823 -6.488 17.553 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -8.047 -5.844 16.477 1.00 0.00 H new ATOM 663 N CYS A 104 -7.943 -6.590 21.098 1.00 0.00 N ATOM 664 CA CYS A 104 -7.352 -6.964 22.407 1.00 0.00 C ATOM 665 C CYS A 104 -5.880 -7.338 22.237 1.00 0.00 C ATOM 666 O CYS A 104 -5.186 -6.625 21.533 1.00 0.00 O ATOM 667 CB CYS A 104 -8.137 -8.156 22.977 1.00 0.00 C ATOM 668 SG CYS A 104 -9.631 -8.450 21.977 1.00 0.00 S ATOM 669 OXT CYS A 104 -5.469 -8.325 22.824 1.00 0.00 O ATOM 0 H CYS A 104 -8.084 -7.365 20.449 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.412 -6.118 23.092 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.510 -9.047 22.980 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -8.415 -7.958 24.012 1.00 0.00 H new TER 674 CYS A 104 CONECT 6 503 CONECT 173 668 CONECT 503 6 CONECT 668 173 END