USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 436 hydrogens (0 hets) HEADER GROWTH FACTOR 17-DEC-97 2VGH TITLE HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH TITLE 2 FACTOR, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: VASCULAR ENDOTHELIAL GROWTH FACTOR-165; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HEPARIN-BINDING DOMAIN; COMPND 5 SYNONYM: VEGF-165; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS GROWTH FACTOR, HEPARIN-BINDING, ANGIOGENESIS EXPDTA SOLUTION NMR AUTHOR W.J.FAIRBROTHER,M.A.CHAMPE,H.W.CHRISTINGER,B.A.KEYT, AUTHOR 2 M.A.STAROVASNIK REVDAT 2 24-FEB-09 2VGH 1 VERSN REVDAT 1 08-APR-98 2VGH 0 JRNL AUTH W.J.FAIRBROTHER,M.A.CHAMPE,H.W.CHRISTINGER, JRNL AUTH 2 B.A.KEYT,M.A.STAROVASNIK JRNL TITL SOLUTION STRUCTURE OF THE HEPARIN-BINDING DOMAIN JRNL TITL 2 OF VASCULAR ENDOTHELIAL GROWTH FACTOR. JRNL REF STRUCTURE V. 6 637 1998 JRNL REFN ISSN 0969-2126 JRNL PMID 9634701 JRNL DOI 10.1016/S0969-2126(98)00065-3 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : MOLECULAR SIMULATIONS INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 2VGH 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) : 300 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2QF-COSY, TOCSY (70 AND 100 REMARK 210 MS), NOESY(50, AND 200 MS), REMARK 210 15N-HSQC, 15N-TOCSY-HSQC(30 REMARK 210 AND 70 MS), 15N-NOESY-HSQC(120 REMARK 210 MS), 15N-ROESY-HSQC(40 MS), REMARK 210 HNHA, HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII, DISCOVER REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED REMARK 210 ANNEALING/RESTRAINED MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 2 141.98 76.01 REMARK 500 GLU A 4 178.51 64.55 REMARK 500 ASN A 5 84.58 -150.50 REMARK 500 GLU A 12 -78.01 -61.24 REMARK 500 ARG A 13 -59.87 -137.08 REMARK 500 LYS A 15 41.80 -84.08 REMARK 500 LEU A 17 40.98 -94.91 REMARK 500 PRO A 22 44.80 -83.35 REMARK 500 GLN A 23 -54.66 -143.19 REMARK 500 PRO A 53 -73.45 -67.77 REMARK 500 ARG A 54 67.38 -154.04 REMARK 500 REMARK 500 REMARK: NULL DBREF 2VGH A 1 55 UNP P15692 VEGFA_HUMAN 137 215 SEQADV 2VGH A UNP P15692 LYS 141 DELETION SEQADV 2VGH A UNP P15692 LYS 142 DELETION SEQADV 2VGH A UNP P15692 SER 143 DELETION SEQADV 2VGH A UNP P15692 VAL 144 DELETION SEQADV 2VGH A UNP P15692 ARG 145 DELETION SEQADV 2VGH A UNP P15692 GLY 146 DELETION SEQADV 2VGH A UNP P15692 LYS 147 DELETION SEQADV 2VGH A UNP P15692 GLY 148 DELETION SEQADV 2VGH A UNP P15692 LYS 149 DELETION SEQADV 2VGH A UNP P15692 GLY 150 DELETION SEQADV 2VGH A UNP P15692 GLN 151 DELETION SEQADV 2VGH A UNP P15692 LYS 152 DELETION SEQADV 2VGH A UNP P15692 ARG 153 DELETION SEQADV 2VGH A UNP P15692 LYS 154 DELETION SEQADV 2VGH A UNP P15692 ARG 155 DELETION SEQADV 2VGH A UNP P15692 LYS 156 DELETION SEQADV 2VGH A UNP P15692 LYS 157 DELETION SEQADV 2VGH A UNP P15692 SER 158 DELETION SEQADV 2VGH A UNP P15692 ARG 159 DELETION SEQADV 2VGH A UNP P15692 TYR 160 DELETION SEQADV 2VGH A UNP P15692 LYS 161 DELETION SEQADV 2VGH A UNP P15692 SER 162 DELETION SEQADV 2VGH A UNP P15692 TRP 163 DELETION SEQADV 2VGH A UNP P15692 SER 164 DELETION SEQADV 2VGH ASN A 5 UNP P15692 VAL 165 VARIANT SEQRES 1 A 55 ALA ARG GLN GLU ASN PRO CYS GLY PRO CYS SER GLU ARG SEQRES 2 A 55 ARG LYS HIS LEU PHE VAL GLN ASP PRO GLN THR CYS LYS SEQRES 3 A 55 CYS SER CYS LYS ASN THR ASP SER ARG CYS LYS ALA ARG SEQRES 4 A 55 GLN LEU GLU LEU ASN GLU ARG THR CYS ARG CYS ASP LYS SEQRES 5 A 55 PRO ARG ARG HELIX 1 1 ASP A 33 ALA A 38 1 6 SHEET 1 A 2 PHE A 18 GLN A 20 0 SHEET 2 A 2 CYS A 27 CYS A 29 -1 N SER A 28 O VAL A 19 SHEET 1 B 2 GLU A 42 ASN A 44 0 SHEET 2 B 2 ARG A 49 ASP A 51 -1 N ASP A 51 O GLU A 42 SSBOND *** CYS A 7 CYS A 25 1555 1555 2.05 SSBOND *** CYS A 10 CYS A 27 1555 1555 2.05 SSBOND *** CYS A 29 CYS A 48 1555 1555 2.04 SSBOND *** CYS A 36 CYS A 50 1555 1555 2.05 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 1 ALA N :NH3+ -166:sc= 0.195 (180deg=0) USER MOD Set 1.2: A 23 GLN : amide:sc= 0.177 K(o=0.37,f=-5!) USER MOD Single : A 3 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.081) USER MOD Single : A 5 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.1) USER MOD Single : A 11 SER OG : rot -156:sc= 0.339 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0.244 (180deg=0.0698) USER MOD Single : A 16 HIS : no HE2:sc=-0.00651 X(o=-0.0065,f=-0.45) USER MOD Single : A 20 GLN :FLIP amide:sc= 0.248 F(o=-0.4,f=0.25) USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.919 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0538) USER MOD Single : A 31 ASN : amide:sc= 0.797 K(o=0.8,f=-6!) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.69) USER MOD Single : A 44 ASN : amide:sc= -0.38 K(o=-0.38,f=-3.2!) USER MOD Single : A 47 THR OG1 : rot -34:sc= 0.641 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.400 -21.140 8.020 1.00 0.00 N ATOM 2 CA ALA A 1 5.341 -21.961 8.635 1.00 0.00 C ATOM 3 C ALA A 1 5.091 -23.247 7.847 1.00 0.00 C ATOM 4 O ALA A 1 5.229 -24.337 8.396 1.00 0.00 O ATOM 5 CB ALA A 1 4.046 -21.160 8.794 1.00 0.00 C ATOM 0 H1 ALA A 1 6.707 -20.409 8.693 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.209 -21.745 7.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.032 -20.686 7.160 1.00 0.00 H new ATOM 0 HA ALA A 1 5.690 -22.247 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.282 -21.790 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.230 -20.294 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.703 -20.825 7.815 1.00 0.00 H new ATOM 13 N ARG A 2 4.728 -23.101 6.564 1.00 0.00 N ATOM 14 CA ARG A 2 4.405 -24.179 5.634 1.00 0.00 C ATOM 15 C ARG A 2 3.009 -24.747 5.922 1.00 0.00 C ATOM 16 O ARG A 2 2.602 -24.854 7.077 1.00 0.00 O ATOM 17 CB ARG A 2 5.503 -25.257 5.623 1.00 0.00 C ATOM 18 CG ARG A 2 5.402 -26.148 4.379 1.00 0.00 C ATOM 19 CD ARG A 2 6.523 -27.192 4.357 1.00 0.00 C ATOM 20 NE ARG A 2 6.376 -28.107 3.216 1.00 0.00 N ATOM 21 CZ ARG A 2 5.550 -29.166 3.168 1.00 0.00 C ATOM 22 NH1 ARG A 2 4.778 -29.492 4.216 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.493 -29.908 2.055 1.00 0.00 N ATOM 0 H ARG A 2 4.650 -22.181 6.131 1.00 0.00 H new ATOM 0 HA ARG A 2 4.374 -23.769 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.483 -24.780 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.421 -25.871 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.434 -26.649 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.456 -25.532 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.489 -26.691 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.512 -27.761 5.287 1.00 0.00 H new ATOM 0 HE ARG A 2 6.949 -27.923 2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.812 -28.932 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.157 -30.300 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.074 -29.668 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.869 -30.713 2.010 1.00 0.00 H new ATOM 37 N GLN A 3 2.272 -25.091 4.856 1.00 0.00 N ATOM 38 CA GLN A 3 0.871 -25.500 4.904 1.00 0.00 C ATOM 39 C GLN A 3 0.017 -24.419 5.576 1.00 0.00 C ATOM 40 O GLN A 3 -0.751 -24.706 6.493 1.00 0.00 O ATOM 41 CB GLN A 3 0.702 -26.880 5.568 1.00 0.00 C ATOM 42 CG GLN A 3 1.559 -27.981 4.930 1.00 0.00 C ATOM 43 CD GLN A 3 1.312 -28.116 3.429 1.00 0.00 C ATOM 44 OE1 GLN A 3 0.186 -28.361 3.004 1.00 0.00 O ATOM 45 NE2 GLN A 3 2.359 -27.957 2.616 1.00 0.00 N ATOM 0 H GLN A 3 2.652 -25.090 3.909 1.00 0.00 H new ATOM 0 HA GLN A 3 0.513 -25.610 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.958 -26.799 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.347 -27.172 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.613 -27.764 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.345 -28.932 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.280 -27.754 3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.238 -28.038 1.606 1.00 0.00 H new ATOM 54 N GLU A 4 0.164 -23.175 5.101 1.00 0.00 N ATOM 55 CA GLU A 4 -0.537 -21.991 5.584 1.00 0.00 C ATOM 56 C GLU A 4 -0.167 -21.652 7.034 1.00 0.00 C ATOM 57 O GLU A 4 0.623 -22.347 7.671 1.00 0.00 O ATOM 58 CB GLU A 4 -2.059 -22.129 5.389 1.00 0.00 C ATOM 59 CG GLU A 4 -2.457 -22.593 3.980 1.00 0.00 C ATOM 60 CD GLU A 4 -1.878 -21.690 2.894 1.00 0.00 C ATOM 61 OE1 GLU A 4 -2.420 -20.575 2.732 1.00 0.00 O ATOM 62 OE2 GLU A 4 -0.901 -22.129 2.248 1.00 0.00 O ATOM 0 H GLU A 4 0.804 -22.964 4.336 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.207 -21.146 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.448 -22.838 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.532 -21.169 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.111 -23.615 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.544 -22.608 3.897 1.00 0.00 H new ATOM 69 N ASN A 5 -0.742 -20.559 7.550 1.00 0.00 N ATOM 70 CA ASN A 5 -0.571 -20.131 8.930 1.00 0.00 C ATOM 71 C ASN A 5 -1.831 -19.382 9.379 1.00 0.00 C ATOM 72 O ASN A 5 -1.867 -18.156 9.298 1.00 0.00 O ATOM 73 CB ASN A 5 0.689 -19.263 9.038 1.00 0.00 C ATOM 74 CG ASN A 5 1.005 -18.886 10.483 1.00 0.00 C ATOM 75 OD1 ASN A 5 0.845 -17.736 10.878 1.00 0.00 O ATOM 76 ND2 ASN A 5 1.473 -19.850 11.278 1.00 0.00 N ATOM 0 H ASN A 5 -1.347 -19.943 7.007 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.438 -20.988 9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.536 -19.800 8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.556 -18.356 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.710 -19.641 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.594 -20.796 10.916 1.00 0.00 H new ATOM 83 N PRO A 6 -2.872 -20.098 9.838 1.00 0.00 N ATOM 84 CA PRO A 6 -4.102 -19.502 10.343 1.00 0.00 C ATOM 85 C PRO A 6 -3.822 -18.513 11.478 1.00 0.00 C ATOM 86 O PRO A 6 -3.117 -18.853 12.427 1.00 0.00 O ATOM 87 CB PRO A 6 -4.964 -20.675 10.822 1.00 0.00 C ATOM 88 CG PRO A 6 -4.466 -21.843 9.972 1.00 0.00 C ATOM 89 CD PRO A 6 -2.973 -21.548 9.845 1.00 0.00 C ATOM 0 HA PRO A 6 -4.609 -18.924 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.829 -20.865 11.887 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.026 -20.486 10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.650 -22.803 10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.957 -21.875 9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.414 -21.978 10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.563 -21.976 8.930 1.00 0.00 H new ATOM 97 N CYS A 7 -4.370 -17.296 11.371 1.00 0.00 N ATOM 98 CA CYS A 7 -4.181 -16.227 12.340 1.00 0.00 C ATOM 99 C CYS A 7 -5.502 -15.508 12.614 1.00 0.00 C ATOM 100 O CYS A 7 -6.486 -15.703 11.901 1.00 0.00 O ATOM 101 CB CYS A 7 -3.156 -15.230 11.794 1.00 0.00 C ATOM 102 SG CYS A 7 -1.455 -15.818 11.660 1.00 0.00 S ATOM 0 H CYS A 7 -4.968 -17.029 10.589 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.821 -16.656 13.275 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.485 -14.909 10.806 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.163 -14.348 12.434 1.00 0.00 H new ATOM 107 N GLY A 8 -5.496 -14.664 13.653 1.00 0.00 N ATOM 108 CA GLY A 8 -6.602 -13.810 14.054 1.00 0.00 C ATOM 109 C GLY A 8 -6.151 -12.350 13.987 1.00 0.00 C ATOM 110 O GLY A 8 -5.521 -11.881 14.934 1.00 0.00 O ATOM 0 H GLY A 8 -4.682 -14.559 14.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.458 -13.970 13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.923 -14.059 15.065 1.00 0.00 H new ATOM 114 N PRO A 9 -6.454 -11.628 12.892 1.00 0.00 N ATOM 115 CA PRO A 9 -6.123 -10.220 12.717 1.00 0.00 C ATOM 116 C PRO A 9 -6.531 -9.351 13.909 1.00 0.00 C ATOM 117 O PRO A 9 -7.596 -9.548 14.491 1.00 0.00 O ATOM 118 CB PRO A 9 -6.842 -9.784 11.441 1.00 0.00 C ATOM 119 CG PRO A 9 -6.884 -11.073 10.624 1.00 0.00 C ATOM 120 CD PRO A 9 -7.106 -12.138 11.697 1.00 0.00 C ATOM 0 HA PRO A 9 -5.043 -10.093 12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.842 -9.404 11.649 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.302 -8.993 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.690 -11.062 9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.956 -11.236 10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.169 -12.304 11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.679 -13.094 11.395 1.00 0.00 H new ATOM 128 N CYS A 10 -5.668 -8.394 14.265 1.00 0.00 N ATOM 129 CA CYS A 10 -5.849 -7.532 15.424 1.00 0.00 C ATOM 130 C CYS A 10 -6.993 -6.546 15.197 1.00 0.00 C ATOM 131 O CYS A 10 -7.910 -6.460 16.011 1.00 0.00 O ATOM 132 CB CYS A 10 -4.540 -6.800 15.738 1.00 0.00 C ATOM 133 SG CYS A 10 -3.201 -7.886 16.297 1.00 0.00 S ATOM 0 H CYS A 10 -4.813 -8.198 13.744 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.115 -8.148 16.283 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.212 -6.266 14.846 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.730 -6.051 16.506 1.00 0.00 H new ATOM 138 N SER A 11 -6.932 -5.802 14.089 1.00 0.00 N ATOM 139 CA SER A 11 -7.941 -4.827 13.708 1.00 0.00 C ATOM 140 C SER A 11 -9.222 -5.521 13.230 1.00 0.00 C ATOM 141 O SER A 11 -9.200 -6.690 12.845 1.00 0.00 O ATOM 142 CB SER A 11 -7.345 -3.884 12.661 1.00 0.00 C ATOM 143 OG SER A 11 -6.577 -4.610 11.724 1.00 0.00 O ATOM 0 H SER A 11 -6.162 -5.867 13.423 1.00 0.00 H new ATOM 0 HA SER A 11 -8.233 -4.230 14.572 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.144 -3.348 12.148 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.721 -3.135 13.150 1.00 0.00 H new ATOM 0 HG SER A 11 -5.914 -4.016 11.314 1.00 0.00 H new ATOM 149 N GLU A 12 -10.338 -4.783 13.282 1.00 0.00 N ATOM 150 CA GLU A 12 -11.690 -5.291 13.089 1.00 0.00 C ATOM 151 C GLU A 12 -11.914 -5.904 11.703 1.00 0.00 C ATOM 152 O GLU A 12 -11.948 -7.126 11.572 1.00 0.00 O ATOM 153 CB GLU A 12 -12.700 -4.163 13.359 1.00 0.00 C ATOM 154 CG GLU A 12 -12.804 -3.793 14.844 1.00 0.00 C ATOM 155 CD GLU A 12 -13.472 -4.897 15.660 1.00 0.00 C ATOM 156 OE1 GLU A 12 -14.704 -5.049 15.507 1.00 0.00 O ATOM 157 OE2 GLU A 12 -12.741 -5.569 16.420 1.00 0.00 O ATOM 0 H GLU A 12 -10.317 -3.780 13.467 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.839 -6.104 13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.410 -3.280 12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.682 -4.468 12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.807 -3.601 15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.373 -2.869 14.949 1.00 0.00 H new ATOM 164 N ARG A 13 -12.102 -5.057 10.682 1.00 0.00 N ATOM 165 CA ARG A 13 -12.547 -5.465 9.353 1.00 0.00 C ATOM 166 C ARG A 13 -11.742 -4.738 8.277 1.00 0.00 C ATOM 167 O ARG A 13 -11.085 -5.380 7.459 1.00 0.00 O ATOM 168 CB ARG A 13 -14.045 -5.156 9.205 1.00 0.00 C ATOM 169 CG ARG A 13 -14.914 -6.120 10.025 1.00 0.00 C ATOM 170 CD ARG A 13 -16.371 -5.647 10.084 1.00 0.00 C ATOM 171 NE ARG A 13 -16.506 -4.394 10.842 1.00 0.00 N ATOM 172 CZ ARG A 13 -16.430 -4.282 12.180 1.00 0.00 C ATOM 173 NH1 ARG A 13 -16.274 -5.362 12.959 1.00 0.00 N ATOM 174 NH2 ARG A 13 -16.505 -3.071 12.747 1.00 0.00 N ATOM 0 H ARG A 13 -11.945 -4.052 10.763 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.387 -6.536 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.238 -4.132 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.326 -5.219 8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.871 -7.116 9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.515 -6.201 11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.748 -5.502 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.986 -6.420 10.546 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.671 -3.540 10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.211 -6.289 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.218 -5.256 13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.619 -2.241 12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.448 -2.978 13.761 1.00 0.00 H new ATOM 188 N ARG A 14 -11.806 -3.401 8.275 1.00 0.00 N ATOM 189 CA ARG A 14 -11.242 -2.547 7.236 1.00 0.00 C ATOM 190 C ARG A 14 -9.745 -2.320 7.478 1.00 0.00 C ATOM 191 O ARG A 14 -9.285 -1.182 7.556 1.00 0.00 O ATOM 192 CB ARG A 14 -12.030 -1.228 7.201 1.00 0.00 C ATOM 193 CG ARG A 14 -13.507 -1.473 6.863 1.00 0.00 C ATOM 194 CD ARG A 14 -14.285 -0.154 6.845 1.00 0.00 C ATOM 195 NE ARG A 14 -15.709 -0.379 6.563 1.00 0.00 N ATOM 196 CZ ARG A 14 -16.623 -0.809 7.451 1.00 0.00 C ATOM 197 NH1 ARG A 14 -16.285 -1.080 8.720 1.00 0.00 N ATOM 198 NH2 ARG A 14 -17.894 -0.970 7.060 1.00 0.00 N ATOM 0 H ARG A 14 -12.265 -2.874 9.018 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.330 -3.030 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.953 -0.730 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.591 -0.559 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -13.587 -1.961 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -13.946 -2.150 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.177 0.348 7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.863 0.510 6.090 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.032 -0.193 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.320 -0.961 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.993 -1.405 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.161 -0.767 6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.595 -1.296 7.726 1.00 0.00 H new ATOM 212 N LYS A 15 -8.986 -3.416 7.590 1.00 0.00 N ATOM 213 CA LYS A 15 -7.583 -3.428 7.984 1.00 0.00 C ATOM 214 C LYS A 15 -6.641 -3.162 6.805 1.00 0.00 C ATOM 215 O LYS A 15 -5.595 -3.796 6.677 1.00 0.00 O ATOM 216 CB LYS A 15 -7.286 -4.754 8.699 1.00 0.00 C ATOM 217 CG LYS A 15 -7.420 -5.994 7.794 1.00 0.00 C ATOM 218 CD LYS A 15 -7.371 -7.302 8.593 1.00 0.00 C ATOM 219 CE LYS A 15 -8.765 -7.822 8.966 1.00 0.00 C ATOM 220 NZ LYS A 15 -9.468 -6.928 9.897 1.00 0.00 N ATOM 0 H LYS A 15 -9.350 -4.350 7.401 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.397 -2.607 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.274 -4.719 9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.964 -4.859 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.360 -5.941 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.618 -5.991 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.850 -8.060 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.791 -7.146 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.360 -7.939 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.672 -8.810 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.352 -7.378 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.863 -6.741 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.687 -6.031 9.418 1.00 0.00 H new ATOM 234 N HIS A 16 -7.007 -2.205 5.947 1.00 0.00 N ATOM 235 CA HIS A 16 -6.252 -1.843 4.756 1.00 0.00 C ATOM 236 C HIS A 16 -4.826 -1.422 5.118 1.00 0.00 C ATOM 237 O HIS A 16 -3.877 -1.794 4.431 1.00 0.00 O ATOM 238 CB HIS A 16 -6.983 -0.718 4.016 1.00 0.00 C ATOM 239 CG HIS A 16 -8.377 -1.101 3.588 1.00 0.00 C ATOM 240 ND1 HIS A 16 -9.493 -0.880 4.383 1.00 0.00 N ATOM 241 CD2 HIS A 16 -8.858 -1.701 2.449 1.00 0.00 C ATOM 242 CE1 HIS A 16 -10.560 -1.339 3.708 1.00 0.00 C ATOM 243 NE2 HIS A 16 -10.239 -1.854 2.519 1.00 0.00 N ATOM 0 H HIS A 16 -7.855 -1.652 6.069 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.179 -2.712 4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.035 0.159 4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.405 -0.433 3.137 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -9.501 -0.449 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.247 -2.011 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.570 -1.296 4.087 1.00 0.00 H new ATOM 251 N LEU A 17 -4.686 -0.651 6.204 1.00 0.00 N ATOM 252 CA LEU A 17 -3.421 -0.090 6.647 1.00 0.00 C ATOM 253 C LEU A 17 -2.755 -0.983 7.706 1.00 0.00 C ATOM 254 O LEU A 17 -2.195 -0.471 8.675 1.00 0.00 O ATOM 255 CB LEU A 17 -3.671 1.335 7.170 1.00 0.00 C ATOM 256 CG LEU A 17 -4.394 2.255 6.169 1.00 0.00 C ATOM 257 CD1 LEU A 17 -4.566 3.644 6.792 1.00 0.00 C ATOM 258 CD2 LEU A 17 -3.627 2.388 4.847 1.00 0.00 C ATOM 0 H LEU A 17 -5.470 -0.400 6.806 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.726 -0.043 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.261 1.276 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.715 1.786 7.436 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.363 1.807 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.078 4.298 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.156 3.563 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.587 4.060 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.175 3.046 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.639 2.807 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.521 1.405 4.388 1.00 0.00 H new ATOM 270 N PHE A 18 -2.801 -2.311 7.520 1.00 0.00 N ATOM 271 CA PHE A 18 -2.162 -3.289 8.396 1.00 0.00 C ATOM 272 C PHE A 18 -1.510 -4.401 7.578 1.00 0.00 C ATOM 273 O PHE A 18 -1.868 -4.637 6.425 1.00 0.00 O ATOM 274 CB PHE A 18 -3.170 -3.922 9.370 1.00 0.00 C ATOM 275 CG PHE A 18 -3.719 -3.011 10.450 1.00 0.00 C ATOM 276 CD1 PHE A 18 -4.746 -2.104 10.134 1.00 0.00 C ATOM 277 CD2 PHE A 18 -3.226 -3.079 11.771 1.00 0.00 C ATOM 278 CE1 PHE A 18 -5.294 -1.280 11.130 1.00 0.00 C ATOM 279 CE2 PHE A 18 -3.767 -2.240 12.763 1.00 0.00 C ATOM 280 CZ PHE A 18 -4.786 -1.326 12.440 1.00 0.00 C ATOM 0 H PHE A 18 -3.296 -2.738 6.737 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.404 -2.754 8.968 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.008 -4.311 8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.692 -4.775 9.852 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.115 -2.041 9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.436 -3.773 12.020 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.106 -0.610 10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.398 -2.298 13.776 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.177 -0.661 13.196 1.00 0.00 H new ATOM 290 N VAL A 19 -0.562 -5.088 8.221 1.00 0.00 N ATOM 291 CA VAL A 19 0.071 -6.319 7.778 1.00 0.00 C ATOM 292 C VAL A 19 0.185 -7.237 9.000 1.00 0.00 C ATOM 293 O VAL A 19 0.189 -6.757 10.135 1.00 0.00 O ATOM 294 CB VAL A 19 1.444 -6.036 7.138 1.00 0.00 C ATOM 295 CG1 VAL A 19 1.296 -5.237 5.837 1.00 0.00 C ATOM 296 CG2 VAL A 19 2.401 -5.294 8.082 1.00 0.00 C ATOM 0 H VAL A 19 -0.198 -4.774 9.121 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.525 -6.805 7.005 1.00 0.00 H new ATOM 0 HB VAL A 19 1.877 -7.012 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.281 -5.053 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.693 -5.804 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.808 -4.285 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.351 -5.123 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.963 -4.337 8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.569 -5.895 8.976 1.00 0.00 H new ATOM 306 N GLN A 20 0.266 -8.554 8.775 1.00 0.00 N ATOM 307 CA GLN A 20 0.382 -9.546 9.835 1.00 0.00 C ATOM 308 C GLN A 20 1.365 -10.633 9.405 1.00 0.00 C ATOM 309 O GLN A 20 1.286 -11.126 8.281 1.00 0.00 O ATOM 310 CB GLN A 20 -1.003 -10.114 10.174 1.00 0.00 C ATOM 311 CG GLN A 20 -0.937 -11.124 11.328 1.00 0.00 C ATOM 312 CD GLN A 20 -2.329 -11.514 11.814 1.00 0.00 C ATOM 313 OE1 GLN A 20 -3.090 -12.227 10.983 1.00 0.00 O flip ATOM 314 NE2 GLN A 20 -2.719 -11.180 12.929 1.00 0.00 N flip ATOM 0 H GLN A 20 0.252 -8.959 7.839 1.00 0.00 H new ATOM 0 HA GLN A 20 0.772 -9.085 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.675 -9.299 10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.424 -10.597 9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.402 -12.016 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.369 -10.696 12.154 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.111 -10.634 13.540 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.651 -11.448 13.245 1.00 0.00 H new ATOM 323 N ASP A 21 2.290 -10.993 10.302 1.00 0.00 N ATOM 324 CA ASP A 21 3.333 -11.973 10.043 1.00 0.00 C ATOM 325 C ASP A 21 2.717 -13.372 9.908 1.00 0.00 C ATOM 326 O ASP A 21 2.115 -13.849 10.869 1.00 0.00 O ATOM 327 CB ASP A 21 4.350 -11.933 11.188 1.00 0.00 C ATOM 328 CG ASP A 21 5.462 -12.953 10.968 1.00 0.00 C ATOM 329 OD1 ASP A 21 6.394 -12.630 10.201 1.00 0.00 O ATOM 330 OD2 ASP A 21 5.353 -14.044 11.566 1.00 0.00 O ATOM 0 H ASP A 21 2.329 -10.600 11.243 1.00 0.00 H new ATOM 0 HA ASP A 21 3.841 -11.737 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.778 -10.934 11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.847 -12.137 12.133 1.00 0.00 H new ATOM 335 N PRO A 22 2.856 -14.049 8.753 1.00 0.00 N ATOM 336 CA PRO A 22 2.212 -15.329 8.487 1.00 0.00 C ATOM 337 C PRO A 22 3.020 -16.500 9.067 1.00 0.00 C ATOM 338 O PRO A 22 3.202 -17.521 8.405 1.00 0.00 O ATOM 339 CB PRO A 22 2.113 -15.385 6.959 1.00 0.00 C ATOM 340 CG PRO A 22 3.416 -14.710 6.532 1.00 0.00 C ATOM 341 CD PRO A 22 3.563 -13.592 7.565 1.00 0.00 C ATOM 0 HA PRO A 22 1.234 -15.415 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.044 -16.409 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.237 -14.854 6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.259 -15.401 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.357 -14.319 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.613 -13.400 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.139 -12.659 7.193 1.00 0.00 H new ATOM 349 N GLN A 23 3.494 -16.358 10.311 1.00 0.00 N ATOM 350 CA GLN A 23 4.137 -17.408 11.088 1.00 0.00 C ATOM 351 C GLN A 23 3.724 -17.258 12.553 1.00 0.00 C ATOM 352 O GLN A 23 3.221 -18.204 13.157 1.00 0.00 O ATOM 353 CB GLN A 23 5.666 -17.365 10.941 1.00 0.00 C ATOM 354 CG GLN A 23 6.116 -17.449 9.480 1.00 0.00 C ATOM 355 CD GLN A 23 7.620 -17.670 9.373 1.00 0.00 C ATOM 356 OE1 GLN A 23 8.066 -18.754 9.004 1.00 0.00 O ATOM 357 NE2 GLN A 23 8.407 -16.641 9.695 1.00 0.00 N ATOM 0 H GLN A 23 3.435 -15.474 10.816 1.00 0.00 H new ATOM 0 HA GLN A 23 3.813 -18.378 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.045 -16.443 11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.105 -18.190 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.591 -18.264 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.844 -16.530 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.994 -15.758 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.421 -16.737 9.639 1.00 0.00 H new ATOM 366 N THR A 24 3.946 -16.060 13.110 1.00 0.00 N ATOM 367 CA THR A 24 3.726 -15.741 14.515 1.00 0.00 C ATOM 368 C THR A 24 2.398 -15.010 14.748 1.00 0.00 C ATOM 369 O THR A 24 1.989 -14.871 15.898 1.00 0.00 O ATOM 370 CB THR A 24 4.893 -14.887 15.034 1.00 0.00 C ATOM 371 OG1 THR A 24 4.960 -13.669 14.322 1.00 0.00 O ATOM 372 CG2 THR A 24 6.234 -15.619 14.919 1.00 0.00 C ATOM 0 H THR A 24 4.294 -15.266 12.573 1.00 0.00 H new ATOM 0 HA THR A 24 3.674 -16.682 15.063 1.00 0.00 H new ATOM 0 HB THR A 24 4.705 -14.690 16.089 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.240 -13.844 13.399 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.031 -14.979 15.297 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.198 -16.538 15.504 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.428 -15.861 13.874 1.00 0.00 H new ATOM 380 N CYS A 25 1.738 -14.533 13.681 1.00 0.00 N ATOM 381 CA CYS A 25 0.483 -13.788 13.738 1.00 0.00 C ATOM 382 C CYS A 25 0.636 -12.438 14.449 1.00 0.00 C ATOM 383 O CYS A 25 -0.348 -11.886 14.938 1.00 0.00 O ATOM 384 CB CYS A 25 -0.639 -14.638 14.356 1.00 0.00 C ATOM 385 SG CYS A 25 -0.906 -16.253 13.581 1.00 0.00 S ATOM 0 H CYS A 25 2.078 -14.662 12.728 1.00 0.00 H new ATOM 0 HA CYS A 25 0.198 -13.561 12.711 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.415 -14.793 15.411 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.569 -14.072 14.307 1.00 0.00 H new ATOM 390 N LYS A 26 1.859 -11.893 14.499 1.00 0.00 N ATOM 391 CA LYS A 26 2.122 -10.580 15.068 1.00 0.00 C ATOM 392 C LYS A 26 1.667 -9.513 14.074 1.00 0.00 C ATOM 393 O LYS A 26 1.991 -9.602 12.890 1.00 0.00 O ATOM 394 CB LYS A 26 3.616 -10.433 15.380 1.00 0.00 C ATOM 395 CG LYS A 26 4.028 -11.334 16.552 1.00 0.00 C ATOM 396 CD LYS A 26 5.549 -11.368 16.752 1.00 0.00 C ATOM 397 CE LYS A 26 6.123 -9.994 17.109 1.00 0.00 C ATOM 398 NZ LYS A 26 7.557 -10.083 17.432 1.00 0.00 N ATOM 0 H LYS A 26 2.693 -12.359 14.142 1.00 0.00 H new ATOM 0 HA LYS A 26 1.571 -10.460 16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.202 -10.689 14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.840 -9.394 15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.551 -10.979 17.466 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.664 -12.346 16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.793 -12.077 17.543 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.024 -11.731 15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.978 -9.308 16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.581 -9.580 17.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.919 -9.137 17.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.691 -10.719 18.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.075 -10.455 16.611 1.00 0.00 H new ATOM 412 N CYS A 27 0.923 -8.511 14.557 1.00 0.00 N ATOM 413 CA CYS A 27 0.315 -7.477 13.728 1.00 0.00 C ATOM 414 C CYS A 27 1.182 -6.226 13.762 1.00 0.00 C ATOM 415 O CYS A 27 1.742 -5.888 14.804 1.00 0.00 O ATOM 416 CB CYS A 27 -1.065 -7.099 14.277 1.00 0.00 C ATOM 417 SG CYS A 27 -2.204 -8.466 14.602 1.00 0.00 S ATOM 0 H CYS A 27 0.726 -8.399 15.552 1.00 0.00 H new ATOM 0 HA CYS A 27 0.223 -7.861 12.712 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.923 -6.545 15.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.540 -6.420 13.569 1.00 0.00 H new ATOM 422 N SER A 28 1.280 -5.535 12.623 1.00 0.00 N ATOM 423 CA SER A 28 1.879 -4.213 12.542 1.00 0.00 C ATOM 424 C SER A 28 1.071 -3.359 11.575 1.00 0.00 C ATOM 425 O SER A 28 0.534 -3.869 10.594 1.00 0.00 O ATOM 426 CB SER A 28 3.341 -4.312 12.096 1.00 0.00 C ATOM 427 OG SER A 28 4.108 -5.004 13.059 1.00 0.00 O ATOM 0 H SER A 28 0.941 -5.886 11.727 1.00 0.00 H new ATOM 0 HA SER A 28 1.866 -3.746 13.527 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.400 -4.827 11.137 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.750 -3.313 11.947 1.00 0.00 H new ATOM 0 HG SER A 28 5.039 -5.060 12.757 1.00 0.00 H new ATOM 433 N CYS A 29 0.997 -2.054 11.847 1.00 0.00 N ATOM 434 CA CYS A 29 0.411 -1.110 10.913 1.00 0.00 C ATOM 435 C CYS A 29 1.338 -0.923 9.715 1.00 0.00 C ATOM 436 O CYS A 29 2.555 -0.826 9.867 1.00 0.00 O ATOM 437 CB CYS A 29 0.096 0.222 11.592 1.00 0.00 C ATOM 438 SG CYS A 29 -1.463 0.175 12.503 1.00 0.00 S ATOM 0 H CYS A 29 1.339 -1.633 12.711 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.536 -1.515 10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.906 0.480 12.275 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.051 1.009 10.839 1.00 0.00 H new ATOM 443 N LYS A 30 0.738 -0.871 8.523 1.00 0.00 N ATOM 444 CA LYS A 30 1.422 -0.648 7.258 1.00 0.00 C ATOM 445 C LYS A 30 2.106 0.724 7.254 1.00 0.00 C ATOM 446 O LYS A 30 3.188 0.879 6.692 1.00 0.00 O ATOM 447 CB LYS A 30 0.383 -0.773 6.137 1.00 0.00 C ATOM 448 CG LYS A 30 1.008 -0.786 4.740 1.00 0.00 C ATOM 449 CD LYS A 30 -0.099 -1.004 3.700 1.00 0.00 C ATOM 450 CE LYS A 30 0.452 -0.996 2.272 1.00 0.00 C ATOM 451 NZ LYS A 30 1.368 -2.123 2.026 1.00 0.00 N ATOM 0 H LYS A 30 -0.269 -0.987 8.414 1.00 0.00 H new ATOM 0 HA LYS A 30 2.208 -1.388 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.190 -1.689 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.320 0.057 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.524 0.155 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.753 -1.578 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.596 -1.955 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.853 -0.224 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.376 -1.041 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.976 -0.057 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.624 -2.148 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.228 -2.003 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.900 -3.014 2.287 1.00 0.00 H new ATOM 465 N ASN A 31 1.464 1.709 7.894 1.00 0.00 N ATOM 466 CA ASN A 31 1.943 3.070 8.054 1.00 0.00 C ATOM 467 C ASN A 31 2.510 3.209 9.464 1.00 0.00 C ATOM 468 O ASN A 31 1.758 3.131 10.435 1.00 0.00 O ATOM 469 CB ASN A 31 0.764 4.025 7.839 1.00 0.00 C ATOM 470 CG ASN A 31 1.125 5.484 8.105 1.00 0.00 C ATOM 471 OD1 ASN A 31 2.232 5.929 7.805 1.00 0.00 O ATOM 472 ND2 ASN A 31 0.175 6.231 8.665 1.00 0.00 N ATOM 0 H ASN A 31 0.554 1.562 8.332 1.00 0.00 H new ATOM 0 HA ASN A 31 2.724 3.309 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.405 3.926 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.057 3.734 8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.351 7.216 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.728 5.818 8.896 1.00 0.00 H new ATOM 479 N THR A 32 3.828 3.406 9.572 1.00 0.00 N ATOM 480 CA THR A 32 4.523 3.529 10.846 1.00 0.00 C ATOM 481 C THR A 32 4.785 5.000 11.175 1.00 0.00 C ATOM 482 O THR A 32 4.768 5.862 10.295 1.00 0.00 O ATOM 483 CB THR A 32 5.830 2.722 10.823 1.00 0.00 C ATOM 484 OG1 THR A 32 6.708 3.211 9.833 1.00 0.00 O ATOM 485 CG2 THR A 32 5.565 1.234 10.572 1.00 0.00 C ATOM 0 H THR A 32 4.445 3.485 8.764 1.00 0.00 H new ATOM 0 HA THR A 32 3.888 3.119 11.632 1.00 0.00 H new ATOM 0 HB THR A 32 6.293 2.836 11.803 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.534 2.683 9.838 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.511 0.693 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.929 0.839 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.066 1.110 9.611 1.00 0.00 H new ATOM 493 N ASP A 33 5.043 5.272 12.460 1.00 0.00 N ATOM 494 CA ASP A 33 5.370 6.600 12.959 1.00 0.00 C ATOM 495 C ASP A 33 6.649 7.143 12.328 1.00 0.00 C ATOM 496 O ASP A 33 6.798 8.354 12.211 1.00 0.00 O ATOM 497 CB ASP A 33 5.481 6.565 14.486 1.00 0.00 C ATOM 498 CG ASP A 33 5.558 7.974 15.070 1.00 0.00 C ATOM 499 OD1 ASP A 33 4.482 8.600 15.184 1.00 0.00 O ATOM 500 OD2 ASP A 33 6.689 8.400 15.388 1.00 0.00 O ATOM 0 H ASP A 33 5.028 4.559 13.189 1.00 0.00 H new ATOM 0 HA ASP A 33 4.566 7.279 12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.620 6.043 14.903 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.367 6.000 14.775 1.00 0.00 H new ATOM 505 N SER A 34 7.560 6.258 11.911 1.00 0.00 N ATOM 506 CA SER A 34 8.752 6.623 11.161 1.00 0.00 C ATOM 507 C SER A 34 8.387 7.413 9.899 1.00 0.00 C ATOM 508 O SER A 34 9.003 8.440 9.617 1.00 0.00 O ATOM 509 CB SER A 34 9.534 5.359 10.800 1.00 0.00 C ATOM 510 OG SER A 34 9.808 4.609 11.966 1.00 0.00 O ATOM 0 H SER A 34 7.483 5.257 12.090 1.00 0.00 H new ATOM 0 HA SER A 34 9.376 7.265 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.961 4.756 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.466 5.628 10.303 1.00 0.00 H new ATOM 0 HG SER A 34 10.307 3.801 11.725 1.00 0.00 H new ATOM 516 N ARG A 35 7.385 6.940 9.144 1.00 0.00 N ATOM 517 CA ARG A 35 6.951 7.606 7.923 1.00 0.00 C ATOM 518 C ARG A 35 6.325 8.963 8.242 1.00 0.00 C ATOM 519 O ARG A 35 6.620 9.952 7.574 1.00 0.00 O ATOM 520 CB ARG A 35 5.952 6.750 7.141 1.00 0.00 C ATOM 521 CG ARG A 35 6.382 5.291 6.961 1.00 0.00 C ATOM 522 CD ARG A 35 5.648 4.657 5.775 1.00 0.00 C ATOM 523 NE ARG A 35 4.207 4.944 5.809 1.00 0.00 N ATOM 524 CZ ARG A 35 3.376 4.805 4.763 1.00 0.00 C ATOM 525 NH1 ARG A 35 3.795 4.253 3.616 1.00 0.00 N ATOM 526 NH2 ARG A 35 2.111 5.230 4.871 1.00 0.00 N ATOM 0 H ARG A 35 6.862 6.093 9.366 1.00 0.00 H new ATOM 0 HA ARG A 35 7.835 7.755 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.991 6.773 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.799 7.196 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.459 5.241 6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.170 4.728 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.071 5.032 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.804 3.578 5.785 1.00 0.00 H new ATOM 0 HE ARG A 35 3.810 5.272 6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.759 3.931 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.150 4.155 2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.788 5.654 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.470 5.130 4.084 1.00 0.00 H new ATOM 540 N CYS A 36 5.462 9.009 9.266 1.00 0.00 N ATOM 541 CA CYS A 36 4.838 10.246 9.711 1.00 0.00 C ATOM 542 C CYS A 36 5.906 11.269 10.104 1.00 0.00 C ATOM 543 O CYS A 36 5.836 12.417 9.679 1.00 0.00 O ATOM 544 CB CYS A 36 3.867 9.979 10.868 1.00 0.00 C ATOM 545 SG CYS A 36 2.502 8.838 10.524 1.00 0.00 S ATOM 0 H CYS A 36 5.182 8.188 9.803 1.00 0.00 H new ATOM 0 HA CYS A 36 4.260 10.662 8.886 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.437 9.586 11.710 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.444 10.932 11.187 1.00 0.00 H new ATOM 550 N LYS A 37 6.902 10.849 10.892 1.00 0.00 N ATOM 551 CA LYS A 37 8.008 11.681 11.346 1.00 0.00 C ATOM 552 C LYS A 37 8.793 12.244 10.159 1.00 0.00 C ATOM 553 O LYS A 37 9.161 13.418 10.171 1.00 0.00 O ATOM 554 CB LYS A 37 8.898 10.857 12.287 1.00 0.00 C ATOM 555 CG LYS A 37 10.052 11.685 12.867 1.00 0.00 C ATOM 556 CD LYS A 37 10.786 10.940 13.989 1.00 0.00 C ATOM 557 CE LYS A 37 11.429 9.636 13.502 1.00 0.00 C ATOM 558 NZ LYS A 37 12.250 9.020 14.558 1.00 0.00 N ATOM 0 H LYS A 37 6.957 9.891 11.239 1.00 0.00 H new ATOM 0 HA LYS A 37 7.621 12.539 11.896 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.293 10.460 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.303 10.002 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.757 11.930 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.664 12.628 13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.556 11.587 14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.085 10.718 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.652 8.939 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.048 9.837 12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.672 8.140 14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.005 9.678 14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.653 8.807 15.382 1.00 0.00 H new ATOM 572 N ALA A 38 9.032 11.420 9.129 1.00 0.00 N ATOM 573 CA ALA A 38 9.668 11.855 7.891 1.00 0.00 C ATOM 574 C ALA A 38 8.851 12.934 7.166 1.00 0.00 C ATOM 575 O ALA A 38 9.426 13.726 6.421 1.00 0.00 O ATOM 576 CB ALA A 38 9.922 10.649 6.982 1.00 0.00 C ATOM 0 H ALA A 38 8.786 10.430 9.138 1.00 0.00 H new ATOM 0 HA ALA A 38 10.624 12.311 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.397 10.982 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.575 9.941 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.974 10.164 6.747 1.00 0.00 H new ATOM 582 N ARG A 39 7.530 12.979 7.394 1.00 0.00 N ATOM 583 CA ARG A 39 6.626 14.003 6.878 1.00 0.00 C ATOM 584 C ARG A 39 6.305 15.079 7.932 1.00 0.00 C ATOM 585 O ARG A 39 5.433 15.912 7.694 1.00 0.00 O ATOM 586 CB ARG A 39 5.340 13.325 6.375 1.00 0.00 C ATOM 587 CG ARG A 39 5.611 12.455 5.141 1.00 0.00 C ATOM 588 CD ARG A 39 4.309 11.868 4.582 1.00 0.00 C ATOM 589 NE ARG A 39 3.803 10.746 5.388 1.00 0.00 N ATOM 590 CZ ARG A 39 4.130 9.456 5.194 1.00 0.00 C ATOM 591 NH1 ARG A 39 5.117 9.113 4.354 1.00 0.00 N ATOM 592 NH2 ARG A 39 3.458 8.495 5.842 1.00 0.00 N ATOM 0 H ARG A 39 7.052 12.279 7.961 1.00 0.00 H new ATOM 0 HA ARG A 39 7.119 14.517 6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.916 12.710 7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.598 14.085 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.104 13.051 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.294 11.647 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.551 12.650 4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.477 11.530 3.560 1.00 0.00 H new ATOM 0 HE ARG A 39 3.158 10.962 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.632 9.835 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.353 8.130 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.701 8.743 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.703 7.515 5.698 1.00 0.00 H new ATOM 606 N GLN A 40 6.998 15.078 9.081 1.00 0.00 N ATOM 607 CA GLN A 40 6.816 16.011 10.191 1.00 0.00 C ATOM 608 C GLN A 40 5.387 15.931 10.744 1.00 0.00 C ATOM 609 O GLN A 40 4.704 16.941 10.905 1.00 0.00 O ATOM 610 CB GLN A 40 7.239 17.443 9.809 1.00 0.00 C ATOM 611 CG GLN A 40 8.748 17.587 9.559 1.00 0.00 C ATOM 612 CD GLN A 40 9.217 16.891 8.283 1.00 0.00 C ATOM 613 OE1 GLN A 40 8.986 17.386 7.183 1.00 0.00 O ATOM 614 NE2 GLN A 40 9.875 15.738 8.421 1.00 0.00 N ATOM 0 H GLN A 40 7.732 14.394 9.265 1.00 0.00 H new ATOM 0 HA GLN A 40 7.482 15.713 11.001 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.699 17.746 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.943 18.126 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.000 18.646 9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.291 17.176 10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.048 15.358 9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.205 15.237 7.596 1.00 0.00 H new ATOM 623 N LEU A 41 4.957 14.700 11.036 1.00 0.00 N ATOM 624 CA LEU A 41 3.665 14.330 11.592 1.00 0.00 C ATOM 625 C LEU A 41 3.901 13.215 12.620 1.00 0.00 C ATOM 626 O LEU A 41 5.028 12.744 12.775 1.00 0.00 O ATOM 627 CB LEU A 41 2.746 13.837 10.458 1.00 0.00 C ATOM 628 CG LEU A 41 2.399 14.889 9.390 1.00 0.00 C ATOM 629 CD1 LEU A 41 1.692 14.211 8.211 1.00 0.00 C ATOM 630 CD2 LEU A 41 1.489 15.995 9.936 1.00 0.00 C ATOM 0 H LEU A 41 5.548 13.884 10.877 1.00 0.00 H new ATOM 0 HA LEU A 41 3.186 15.182 12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.224 12.989 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.819 13.470 10.898 1.00 0.00 H new ATOM 0 HG LEU A 41 3.336 15.346 9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.447 14.958 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.349 13.458 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.776 13.735 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.273 16.712 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.557 15.556 10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.989 16.504 10.760 1.00 0.00 H new ATOM 642 N GLU A 42 2.842 12.782 13.314 1.00 0.00 N ATOM 643 CA GLU A 42 2.868 11.642 14.227 1.00 0.00 C ATOM 644 C GLU A 42 1.706 10.709 13.891 1.00 0.00 C ATOM 645 O GLU A 42 0.703 11.149 13.339 1.00 0.00 O ATOM 646 CB GLU A 42 2.788 12.120 15.682 1.00 0.00 C ATOM 647 CG GLU A 42 4.106 12.770 16.124 1.00 0.00 C ATOM 648 CD GLU A 42 4.013 13.377 17.522 1.00 0.00 C ATOM 649 OE1 GLU A 42 3.339 12.761 18.376 1.00 0.00 O ATOM 650 OE2 GLU A 42 4.626 14.450 17.715 1.00 0.00 O ATOM 0 H GLU A 42 1.926 13.226 13.253 1.00 0.00 H new ATOM 0 HA GLU A 42 3.806 11.099 14.110 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.973 12.835 15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.559 11.276 16.333 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.900 12.024 16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.383 13.547 15.411 1.00 0.00 H new ATOM 657 N LEU A 43 1.848 9.419 14.213 1.00 0.00 N ATOM 658 CA LEU A 43 0.872 8.389 13.883 1.00 0.00 C ATOM 659 C LEU A 43 -0.257 8.359 14.914 1.00 0.00 C ATOM 660 O LEU A 43 0.005 8.346 16.116 1.00 0.00 O ATOM 661 CB LEU A 43 1.590 7.031 13.847 1.00 0.00 C ATOM 662 CG LEU A 43 0.737 5.862 13.325 1.00 0.00 C ATOM 663 CD1 LEU A 43 0.547 5.952 11.807 1.00 0.00 C ATOM 664 CD2 LEU A 43 1.436 4.538 13.652 1.00 0.00 C ATOM 0 H LEU A 43 2.659 9.061 14.718 1.00 0.00 H new ATOM 0 HA LEU A 43 0.430 8.607 12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.478 7.122 13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.933 6.791 14.853 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.239 5.912 13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.060 5.113 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.046 6.887 11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.520 5.920 11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.834 3.708 13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.415 4.516 13.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.557 4.447 14.731 1.00 0.00 H new ATOM 676 N ASN A 44 -1.508 8.312 14.441 1.00 0.00 N ATOM 677 CA ASN A 44 -2.667 8.041 15.278 1.00 0.00 C ATOM 678 C ASN A 44 -2.820 6.525 15.266 1.00 0.00 C ATOM 679 O ASN A 44 -3.335 5.974 14.301 1.00 0.00 O ATOM 680 CB ASN A 44 -3.921 8.726 14.711 1.00 0.00 C ATOM 681 CG ASN A 44 -5.193 8.397 15.500 1.00 0.00 C ATOM 682 OD1 ASN A 44 -5.177 7.621 16.454 1.00 0.00 O ATOM 683 ND2 ASN A 44 -6.315 8.994 15.095 1.00 0.00 N ATOM 0 H ASN A 44 -1.739 8.463 13.459 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.540 8.427 16.289 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.770 9.805 14.711 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.056 8.423 13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.193 8.812 15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.295 9.633 14.300 1.00 0.00 H new ATOM 690 N GLU A 45 -2.360 5.859 16.330 1.00 0.00 N ATOM 691 CA GLU A 45 -2.228 4.407 16.405 1.00 0.00 C ATOM 692 C GLU A 45 -3.553 3.645 16.243 1.00 0.00 C ATOM 693 O GLU A 45 -3.526 2.430 16.055 1.00 0.00 O ATOM 694 CB GLU A 45 -1.545 4.025 17.726 1.00 0.00 C ATOM 695 CG GLU A 45 -0.128 4.605 17.827 1.00 0.00 C ATOM 696 CD GLU A 45 0.554 4.164 19.118 1.00 0.00 C ATOM 697 OE1 GLU A 45 0.322 4.841 20.144 1.00 0.00 O ATOM 698 OE2 GLU A 45 1.293 3.157 19.058 1.00 0.00 O ATOM 0 H GLU A 45 -2.062 6.331 17.184 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.615 4.105 15.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.145 4.385 18.562 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.500 2.939 17.810 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.463 4.281 16.971 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.173 5.693 17.789 1.00 0.00 H new ATOM 705 N ARG A 46 -4.701 4.332 16.305 1.00 0.00 N ATOM 706 CA ARG A 46 -6.011 3.705 16.212 1.00 0.00 C ATOM 707 C ARG A 46 -6.343 3.401 14.751 1.00 0.00 C ATOM 708 O ARG A 46 -6.648 2.258 14.415 1.00 0.00 O ATOM 709 CB ARG A 46 -7.070 4.635 16.821 1.00 0.00 C ATOM 710 CG ARG A 46 -6.789 4.926 18.300 1.00 0.00 C ATOM 711 CD ARG A 46 -7.868 5.850 18.871 1.00 0.00 C ATOM 712 NE ARG A 46 -7.586 6.204 20.268 1.00 0.00 N ATOM 713 CZ ARG A 46 -7.823 5.421 21.334 1.00 0.00 C ATOM 714 NH1 ARG A 46 -8.355 4.199 21.190 1.00 0.00 N ATOM 715 NH2 ARG A 46 -7.524 5.869 22.561 1.00 0.00 N ATOM 0 H ARG A 46 -4.739 5.345 16.422 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.003 2.767 16.767 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.094 5.572 16.264 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.055 4.179 16.721 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.763 3.993 18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.809 5.390 18.407 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.928 6.757 18.269 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.840 5.360 18.807 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.176 7.121 20.444 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.587 3.850 20.260 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.528 3.618 22.010 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.120 6.798 22.680 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.701 5.281 23.376 1.00 0.00 H new ATOM 729 N THR A 47 -6.280 4.424 13.891 1.00 0.00 N ATOM 730 CA THR A 47 -6.571 4.313 12.463 1.00 0.00 C ATOM 731 C THR A 47 -5.293 4.117 11.635 1.00 0.00 C ATOM 732 O THR A 47 -5.376 3.767 10.460 1.00 0.00 O ATOM 733 CB THR A 47 -7.367 5.546 12.003 1.00 0.00 C ATOM 734 OG1 THR A 47 -7.779 5.378 10.663 1.00 0.00 O ATOM 735 CG2 THR A 47 -6.569 6.848 12.124 1.00 0.00 C ATOM 0 H THR A 47 -6.020 5.368 14.176 1.00 0.00 H new ATOM 0 HA THR A 47 -7.180 3.424 12.299 1.00 0.00 H new ATOM 0 HB THR A 47 -8.230 5.628 12.663 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.094 4.879 10.170 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.182 7.683 11.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.285 7.005 13.164 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.672 6.783 11.509 1.00 0.00 H new ATOM 743 N CYS A 48 -4.125 4.361 12.242 1.00 0.00 N ATOM 744 CA CYS A 48 -2.808 4.341 11.627 1.00 0.00 C ATOM 745 C CYS A 48 -2.744 5.240 10.393 1.00 0.00 C ATOM 746 O CYS A 48 -2.385 4.806 9.300 1.00 0.00 O ATOM 747 CB CYS A 48 -2.333 2.904 11.409 1.00 0.00 C ATOM 748 SG CYS A 48 -1.870 2.116 12.973 1.00 0.00 S ATOM 0 H CYS A 48 -4.080 4.591 13.235 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.086 4.782 12.315 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.123 2.327 10.929 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.479 2.900 10.731 1.00 0.00 H new ATOM 753 N ARG A 49 -3.071 6.518 10.610 1.00 0.00 N ATOM 754 CA ARG A 49 -2.893 7.612 9.666 1.00 0.00 C ATOM 755 C ARG A 49 -2.138 8.730 10.386 1.00 0.00 C ATOM 756 O ARG A 49 -2.160 8.804 11.615 1.00 0.00 O ATOM 757 CB ARG A 49 -4.248 8.093 9.131 1.00 0.00 C ATOM 758 CG ARG A 49 -4.880 7.036 8.215 1.00 0.00 C ATOM 759 CD ARG A 49 -6.231 7.509 7.673 1.00 0.00 C ATOM 760 NE ARG A 49 -7.264 7.468 8.715 1.00 0.00 N ATOM 761 CZ ARG A 49 -8.456 8.084 8.659 1.00 0.00 C ATOM 762 NH1 ARG A 49 -8.785 8.870 7.624 1.00 0.00 N ATOM 763 NH2 ARG A 49 -9.329 7.902 9.658 1.00 0.00 N ATOM 0 H ARG A 49 -3.485 6.826 11.490 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.318 7.283 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.918 8.306 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.117 9.025 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.207 6.822 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.012 6.105 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.137 8.525 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.530 6.879 6.835 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.059 6.925 9.554 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.125 9.009 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.696 9.329 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.084 7.303 10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.239 8.363 9.631 1.00 0.00 H new ATOM 777 N CYS A 50 -1.459 9.592 9.621 1.00 0.00 N ATOM 778 CA CYS A 50 -0.576 10.609 10.171 1.00 0.00 C ATOM 779 C CYS A 50 -1.361 11.892 10.448 1.00 0.00 C ATOM 780 O CYS A 50 -2.036 12.410 9.559 1.00 0.00 O ATOM 781 CB CYS A 50 0.575 10.887 9.200 1.00 0.00 C ATOM 782 SG CYS A 50 1.639 9.485 8.779 1.00 0.00 S ATOM 0 H CYS A 50 -1.511 9.598 8.602 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.159 10.246 11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.153 11.283 8.276 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.199 11.672 9.628 1.00 0.00 H new ATOM 787 N ASP A 51 -1.262 12.392 11.685 1.00 0.00 N ATOM 788 CA ASP A 51 -1.903 13.606 12.175 1.00 0.00 C ATOM 789 C ASP A 51 -0.846 14.592 12.683 1.00 0.00 C ATOM 790 O ASP A 51 0.340 14.271 12.732 1.00 0.00 O ATOM 791 CB ASP A 51 -2.914 13.242 13.272 1.00 0.00 C ATOM 792 CG ASP A 51 -2.241 12.714 14.539 1.00 0.00 C ATOM 793 OD1 ASP A 51 -1.862 11.524 14.533 1.00 0.00 O ATOM 794 OD2 ASP A 51 -2.121 13.511 15.495 1.00 0.00 O ATOM 0 H ASP A 51 -0.703 11.933 12.404 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.442 14.094 11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.508 14.122 13.520 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.603 12.489 12.890 1.00 0.00 H new ATOM 799 N LYS A 52 -1.288 15.800 13.060 1.00 0.00 N ATOM 800 CA LYS A 52 -0.423 16.887 13.512 1.00 0.00 C ATOM 801 C LYS A 52 0.441 16.415 14.692 1.00 0.00 C ATOM 802 O LYS A 52 -0.060 15.679 15.540 1.00 0.00 O ATOM 803 CB LYS A 52 -1.275 18.105 13.907 1.00 0.00 C ATOM 804 CG LYS A 52 -2.135 18.615 12.738 1.00 0.00 C ATOM 805 CD LYS A 52 -2.985 19.838 13.118 1.00 0.00 C ATOM 806 CE LYS A 52 -2.365 21.174 12.687 1.00 0.00 C ATOM 807 NZ LYS A 52 -1.097 21.455 13.378 1.00 0.00 N ATOM 0 H LYS A 52 -2.277 16.049 13.057 1.00 0.00 H new ATOM 0 HA LYS A 52 0.241 17.182 12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.922 17.838 14.743 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.622 18.907 14.253 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.487 18.874 11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.790 17.813 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.971 19.741 12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.132 19.847 14.198 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.193 21.161 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.071 21.980 12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.823 22.444 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.215 21.295 14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.355 20.824 13.013 1.00 0.00 H new ATOM 821 N PRO A 53 1.728 16.802 14.759 1.00 0.00 N ATOM 822 CA PRO A 53 2.666 16.252 15.726 1.00 0.00 C ATOM 823 C PRO A 53 2.295 16.680 17.149 1.00 0.00 C ATOM 824 O PRO A 53 1.784 15.872 17.922 1.00 0.00 O ATOM 825 CB PRO A 53 4.054 16.720 15.272 1.00 0.00 C ATOM 826 CG PRO A 53 3.783 17.976 14.441 1.00 0.00 C ATOM 827 CD PRO A 53 2.393 17.727 13.855 1.00 0.00 C ATOM 0 HA PRO A 53 2.645 15.163 15.762 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.697 16.939 16.124 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.557 15.954 14.681 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.803 18.876 15.056 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.530 18.108 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.834 18.659 13.772 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.464 17.307 12.852 1.00 0.00 H new ATOM 835 N ARG A 54 2.537 17.950 17.487 1.00 0.00 N ATOM 836 CA ARG A 54 2.061 18.578 18.709 1.00 0.00 C ATOM 837 C ARG A 54 1.967 20.074 18.419 1.00 0.00 C ATOM 838 O ARG A 54 2.716 20.881 18.969 1.00 0.00 O ATOM 839 CB ARG A 54 2.966 18.226 19.906 1.00 0.00 C ATOM 840 CG ARG A 54 2.240 18.257 21.263 1.00 0.00 C ATOM 841 CD ARG A 54 1.855 19.649 21.791 1.00 0.00 C ATOM 842 NE ARG A 54 0.749 20.272 21.049 1.00 0.00 N ATOM 843 CZ ARG A 54 -0.542 19.903 21.086 1.00 0.00 C ATOM 844 NH1 ARG A 54 -0.955 18.919 21.897 1.00 0.00 N ATOM 845 NH2 ARG A 54 -1.430 20.524 20.298 1.00 0.00 N ATOM 0 H ARG A 54 3.083 18.580 16.899 1.00 0.00 H new ATOM 0 HA ARG A 54 1.078 18.210 19.002 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.386 17.232 19.752 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.802 18.925 19.936 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.333 17.658 21.181 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.876 17.773 22.004 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.576 19.566 22.841 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.727 20.301 21.743 1.00 0.00 H new ATOM 0 HE ARG A 54 0.985 21.061 20.448 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.285 18.439 22.498 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.939 18.651 21.913 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.124 21.272 19.675 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.412 20.249 20.321 1.00 0.00 H new ATOM 859 N ARG A 55 1.029 20.428 17.535 1.00 0.00 N ATOM 860 CA ARG A 55 0.725 21.795 17.154 1.00 0.00 C ATOM 861 C ARG A 55 -0.795 21.932 17.143 1.00 0.00 C ATOM 862 O ARG A 55 -1.326 22.448 18.150 1.00 0.00 O ATOM 863 CB ARG A 55 1.337 22.112 15.778 1.00 0.00 C ATOM 864 CG ARG A 55 2.873 22.172 15.741 1.00 0.00 C ATOM 865 CD ARG A 55 3.459 23.541 16.111 1.00 0.00 C ATOM 866 NE ARG A 55 3.290 23.870 17.532 1.00 0.00 N ATOM 867 CZ ARG A 55 2.416 24.730 18.083 1.00 0.00 C ATOM 868 NH1 ARG A 55 1.530 25.404 17.336 1.00 0.00 N ATOM 869 NH2 ARG A 55 2.430 24.905 19.410 1.00 0.00 N ATOM 870 OXT ARG A 55 -1.401 21.503 16.136 1.00 0.00 O ATOM 0 H ARG A 55 0.446 19.743 17.054 1.00 0.00 H new ATOM 0 HA ARG A 55 1.154 22.508 17.859 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.002 21.357 15.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.944 23.069 15.435 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.271 21.422 16.425 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.212 21.903 14.741 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.521 23.555 15.864 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.981 24.311 15.506 1.00 0.00 H new ATOM 0 HE ARG A 55 3.912 23.387 18.180 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.509 25.270 16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.877 26.051 17.779 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.096 24.390 19.985 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.774 25.553 19.846 1.00 0.00 H new TER 883 ARG A 55 CONECT 102 385 CONECT 133 417 CONECT 385 102 CONECT 417 133 CONECT 438 748 CONECT 545 782 CONECT 748 438 CONECT 782 545 END