USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) 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 34 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 146:sc= 0.0225 (180deg=0) USER MOD Set 2.1: A 6 HIS : no HD1:sc= -5.8! C(o=-8.5!,f=-9!) USER MOD Set 2.2: A 20 TYR OH : rot 180:sc= -2.7! USER MOD Single : A 1 THR N :NH3+ -156:sc= -0.303 (180deg=-1.71!) USER MOD Single : A 1 THR OG1 : rot 70:sc= 0.433 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 42:sc= -0.395 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 11 THR OG1 : rot -110:sc= -1.86! USER MOD Single : A 12 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.4) USER MOD Single : A 16 ASN : amide:sc= -1.65! C(o=-1.7!,f=-7.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 120:sc= -3.78! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.9!) USER MOD Single : A 49 THR OG1 : rot -177:sc= -2.89! USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -0.22 (180deg=-0.58) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.84! K(o=-2.8!,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 170:sc= -9.46! (180deg=-9.69!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.179 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.802 -14.109 -9.712 1.00 0.00 N ATOM 2 CA THR A 1 -16.965 -12.882 -10.543 1.00 0.00 C ATOM 3 C THR A 1 -17.243 -11.670 -9.650 1.00 0.00 C ATOM 4 O THR A 1 -18.226 -10.977 -9.815 1.00 0.00 O ATOM 5 CB THR A 1 -18.167 -13.171 -11.444 1.00 0.00 C ATOM 6 OG1 THR A 1 -19.339 -13.269 -10.649 1.00 0.00 O ATOM 7 CG2 THR A 1 -17.943 -14.487 -12.191 1.00 0.00 C ATOM 0 H1 THR A 1 -16.235 -14.808 -10.233 1.00 0.00 H new ATOM 0 H2 THR A 1 -16.320 -13.865 -8.823 1.00 0.00 H new ATOM 0 H3 THR A 1 -17.737 -14.511 -9.499 1.00 0.00 H new ATOM 0 HA THR A 1 -16.069 -12.652 -11.119 1.00 0.00 H new ATOM 0 HB THR A 1 -18.283 -12.362 -12.166 1.00 0.00 H new ATOM 0 HG1 THR A 1 -19.568 -12.385 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 1 -18.800 -14.692 -12.833 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.043 -14.410 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.826 -15.298 -11.472 1.00 0.00 H new ATOM 17 N MET A 2 -16.381 -11.408 -8.705 1.00 0.00 N ATOM 18 CA MET A 2 -16.596 -10.241 -7.802 1.00 0.00 C ATOM 19 C MET A 2 -15.441 -9.246 -7.941 1.00 0.00 C ATOM 20 O MET A 2 -15.546 -8.100 -7.550 1.00 0.00 O ATOM 21 CB MET A 2 -16.629 -10.832 -6.392 1.00 0.00 C ATOM 22 CG MET A 2 -18.062 -10.796 -5.856 1.00 0.00 C ATOM 23 SD MET A 2 -18.049 -11.119 -4.077 1.00 0.00 S ATOM 24 CE MET A 2 -18.948 -12.687 -4.124 1.00 0.00 C ATOM 0 H MET A 2 -15.538 -11.951 -8.519 1.00 0.00 H new ATOM 0 HA MET A 2 -17.512 -9.699 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 2 -16.261 -11.858 -6.408 1.00 0.00 H new ATOM 0 HB3 MET A 2 -15.969 -10.267 -5.734 1.00 0.00 H new ATOM 0 HG2 MET A 2 -18.512 -9.824 -6.057 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.672 -11.541 -6.367 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.057 -13.075 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 2 -19.934 -12.528 -4.559 1.00 0.00 H new ATOM 0 HE3 MET A 2 -18.396 -13.405 -4.730 1.00 0.00 H new ATOM 34 N SER A 3 -14.340 -9.674 -8.495 1.00 0.00 N ATOM 35 CA SER A 3 -13.179 -8.752 -8.658 1.00 0.00 C ATOM 36 C SER A 3 -12.639 -8.333 -7.287 1.00 0.00 C ATOM 37 O SER A 3 -12.653 -7.170 -6.934 1.00 0.00 O ATOM 38 CB SER A 3 -13.737 -7.542 -9.406 1.00 0.00 C ATOM 39 OG SER A 3 -12.666 -6.826 -10.006 1.00 0.00 O ATOM 0 H SER A 3 -14.193 -10.622 -8.842 1.00 0.00 H new ATOM 0 HA SER A 3 -12.353 -9.219 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.445 -7.866 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.282 -6.895 -8.719 1.00 0.00 H new ATOM 0 HG SER A 3 -13.021 -6.050 -10.488 1.00 0.00 H new ATOM 45 N SER A 4 -12.164 -9.270 -6.515 1.00 0.00 N ATOM 46 CA SER A 4 -11.624 -8.924 -5.169 1.00 0.00 C ATOM 47 C SER A 4 -10.604 -9.976 -4.722 1.00 0.00 C ATOM 48 O SER A 4 -10.788 -10.649 -3.727 1.00 0.00 O ATOM 49 CB SER A 4 -12.838 -8.927 -4.242 1.00 0.00 C ATOM 50 OG SER A 4 -13.208 -7.586 -3.951 1.00 0.00 O ATOM 0 H SER A 4 -12.126 -10.260 -6.757 1.00 0.00 H new ATOM 0 HA SER A 4 -11.111 -7.962 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.669 -9.452 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.605 -9.461 -3.320 1.00 0.00 H new ATOM 0 HG SER A 4 -13.152 -7.047 -4.767 1.00 0.00 H new ATOM 56 N GLU A 5 -9.528 -10.121 -5.446 1.00 0.00 N ATOM 57 CA GLU A 5 -8.500 -11.129 -5.060 1.00 0.00 C ATOM 58 C GLU A 5 -7.689 -10.625 -3.864 1.00 0.00 C ATOM 59 O GLU A 5 -6.844 -11.321 -3.336 1.00 0.00 O ATOM 60 CB GLU A 5 -7.604 -11.272 -6.292 1.00 0.00 C ATOM 61 CG GLU A 5 -7.036 -9.904 -6.674 1.00 0.00 C ATOM 62 CD GLU A 5 -5.514 -9.922 -6.519 1.00 0.00 C ATOM 63 OE1 GLU A 5 -5.048 -10.391 -5.493 1.00 0.00 O ATOM 64 OE2 GLU A 5 -4.842 -9.467 -7.428 1.00 0.00 O ATOM 0 H GLU A 5 -9.316 -9.585 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.944 -12.080 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.792 -11.969 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.175 -11.685 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.305 -9.661 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.468 -9.129 -6.040 1.00 0.00 H new ATOM 71 N HIS A 6 -7.942 -9.421 -3.431 1.00 0.00 N ATOM 72 CA HIS A 6 -7.188 -8.871 -2.267 1.00 0.00 C ATOM 73 C HIS A 6 -7.762 -7.510 -1.861 1.00 0.00 C ATOM 74 O HIS A 6 -7.754 -7.143 -0.703 1.00 0.00 O ATOM 75 CB HIS A 6 -5.748 -8.723 -2.760 1.00 0.00 C ATOM 76 CG HIS A 6 -4.924 -9.875 -2.254 1.00 0.00 C ATOM 77 ND1 HIS A 6 -5.123 -10.431 -1.000 1.00 0.00 N ATOM 78 CD2 HIS A 6 -3.897 -10.588 -2.821 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.235 -11.432 -0.854 1.00 0.00 C ATOM 80 NE2 HIS A 6 -3.463 -11.570 -1.936 1.00 0.00 N ATOM 0 H HIS A 6 -8.638 -8.793 -3.832 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.252 -9.516 -1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.726 -8.697 -3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.328 -7.780 -2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.488 -10.413 -3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.156 -12.048 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.716 -12.249 -2.082 1.00 0.00 H new ATOM 88 N THR A 7 -8.264 -6.762 -2.805 1.00 0.00 N ATOM 89 CA THR A 7 -8.841 -5.429 -2.473 1.00 0.00 C ATOM 90 C THR A 7 -10.109 -5.599 -1.635 1.00 0.00 C ATOM 91 O THR A 7 -10.920 -6.469 -1.890 1.00 0.00 O ATOM 92 CB THR A 7 -9.170 -4.791 -3.825 1.00 0.00 C ATOM 93 OG1 THR A 7 -8.452 -5.463 -4.850 1.00 0.00 O ATOM 94 CG2 THR A 7 -8.777 -3.314 -3.805 1.00 0.00 C ATOM 0 H THR A 7 -8.299 -7.017 -3.792 1.00 0.00 H new ATOM 0 HA THR A 7 -8.155 -4.814 -1.890 1.00 0.00 H new ATOM 0 HB THR A 7 -10.240 -4.875 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.663 -5.057 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.012 -2.862 -4.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.331 -2.801 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.708 -3.225 -3.614 1.00 0.00 H new ATOM 102 N CYS A 8 -10.286 -4.779 -0.638 1.00 0.00 N ATOM 103 CA CYS A 8 -11.503 -4.895 0.217 1.00 0.00 C ATOM 104 C CYS A 8 -12.732 -5.183 -0.652 1.00 0.00 C ATOM 105 O CYS A 8 -12.792 -4.801 -1.804 1.00 0.00 O ATOM 106 CB CYS A 8 -11.635 -3.535 0.910 1.00 0.00 C ATOM 107 SG CYS A 8 -12.346 -2.328 -0.240 1.00 0.00 S ATOM 0 H CYS A 8 -9.642 -4.033 -0.377 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.427 -5.709 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.267 -3.626 1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.658 -3.194 1.252 1.00 0.00 H new ATOM 112 N ILE A 9 -13.713 -5.855 -0.112 1.00 0.00 N ATOM 113 CA ILE A 9 -14.932 -6.163 -0.914 1.00 0.00 C ATOM 114 C ILE A 9 -16.072 -5.215 -0.535 1.00 0.00 C ATOM 115 O ILE A 9 -16.965 -4.958 -1.317 1.00 0.00 O ATOM 116 CB ILE A 9 -15.290 -7.605 -0.555 1.00 0.00 C ATOM 117 CG1 ILE A 9 -15.634 -7.688 0.935 1.00 0.00 C ATOM 118 CG2 ILE A 9 -14.099 -8.517 -0.854 1.00 0.00 C ATOM 119 CD1 ILE A 9 -17.147 -7.840 1.101 1.00 0.00 C ATOM 0 H ILE A 9 -13.723 -6.203 0.847 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.762 -6.040 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.149 -7.924 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.120 -8.534 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.289 -6.791 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.355 -9.545 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.852 -8.458 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.240 -8.199 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.393 -7.899 2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.650 -6.979 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.478 -8.750 0.601 1.00 0.00 H new ATOM 131 N ASP A 10 -16.048 -4.693 0.660 1.00 0.00 N ATOM 132 CA ASP A 10 -17.129 -3.761 1.087 1.00 0.00 C ATOM 133 C ASP A 10 -16.689 -2.989 2.334 1.00 0.00 C ATOM 134 O ASP A 10 -17.395 -2.932 3.322 1.00 0.00 O ATOM 135 CB ASP A 10 -18.326 -4.658 1.406 1.00 0.00 C ATOM 136 CG ASP A 10 -19.619 -3.852 1.269 1.00 0.00 C ATOM 137 OD1 ASP A 10 -19.530 -2.669 0.986 1.00 0.00 O ATOM 138 OD2 ASP A 10 -20.677 -4.433 1.447 1.00 0.00 O ATOM 0 H ASP A 10 -15.327 -4.871 1.359 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.369 -3.024 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.344 -5.512 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.238 -5.054 2.418 1.00 0.00 H new ATOM 143 N THR A 11 -15.528 -2.397 2.294 1.00 0.00 N ATOM 144 CA THR A 11 -15.042 -1.630 3.475 1.00 0.00 C ATOM 145 C THR A 11 -15.288 -0.136 3.271 1.00 0.00 C ATOM 146 O THR A 11 -15.435 0.331 2.160 1.00 0.00 O ATOM 147 CB THR A 11 -13.540 -1.932 3.546 1.00 0.00 C ATOM 148 OG1 THR A 11 -13.320 -3.026 4.424 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.783 -0.704 4.060 1.00 0.00 C ATOM 0 H THR A 11 -14.895 -2.411 1.495 1.00 0.00 H new ATOM 0 HA THR A 11 -15.556 -1.908 4.395 1.00 0.00 H new ATOM 0 HB THR A 11 -13.177 -2.183 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.882 -2.707 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.717 -0.927 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.948 0.135 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.144 -0.444 5.055 1.00 0.00 H new ATOM 157 N ASN A 12 -15.321 0.621 4.332 1.00 0.00 N ATOM 158 CA ASN A 12 -15.539 2.084 4.184 1.00 0.00 C ATOM 159 C ASN A 12 -14.257 2.719 3.654 1.00 0.00 C ATOM 160 O ASN A 12 -13.254 2.783 4.336 1.00 0.00 O ATOM 161 CB ASN A 12 -15.853 2.589 5.592 1.00 0.00 C ATOM 162 CG ASN A 12 -17.208 3.301 5.589 1.00 0.00 C ATOM 163 OD1 ASN A 12 -17.511 4.049 4.681 1.00 0.00 O ATOM 164 ND2 ASN A 12 -18.040 3.097 6.573 1.00 0.00 N ATOM 0 H ASN A 12 -15.207 0.291 5.290 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.344 2.329 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.870 1.755 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.072 3.272 5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.946 3.566 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.785 2.469 7.335 1.00 0.00 H new ATOM 171 N VAL A 13 -14.276 3.170 2.434 1.00 0.00 N ATOM 172 CA VAL A 13 -13.050 3.780 1.851 1.00 0.00 C ATOM 173 C VAL A 13 -13.428 4.877 0.850 1.00 0.00 C ATOM 174 O VAL A 13 -13.708 4.600 -0.298 1.00 0.00 O ATOM 175 CB VAL A 13 -12.340 2.619 1.146 1.00 0.00 C ATOM 176 CG1 VAL A 13 -13.377 1.716 0.472 1.00 0.00 C ATOM 177 CG2 VAL A 13 -11.381 3.170 0.089 1.00 0.00 C ATOM 0 H VAL A 13 -15.086 3.143 1.815 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.417 4.251 2.603 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.778 2.041 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.870 0.891 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.059 1.320 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.941 2.293 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.877 2.343 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.942 3.750 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.640 3.810 0.568 1.00 0.00 H new ATOM 187 N PRO A 14 -13.417 6.090 1.328 1.00 0.00 N ATOM 188 CA PRO A 14 -13.760 7.248 0.468 1.00 0.00 C ATOM 189 C PRO A 14 -12.866 7.267 -0.775 1.00 0.00 C ATOM 190 O PRO A 14 -11.747 6.793 -0.754 1.00 0.00 O ATOM 191 CB PRO A 14 -13.486 8.464 1.353 1.00 0.00 C ATOM 192 CG PRO A 14 -13.486 7.943 2.758 1.00 0.00 C ATOM 193 CD PRO A 14 -13.088 6.493 2.697 1.00 0.00 C ATOM 0 HA PRO A 14 -14.789 7.220 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.529 8.923 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.251 9.229 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.789 8.507 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.473 8.052 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.027 6.362 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.634 5.899 3.430 1.00 0.00 H new ATOM 201 N ASP A 15 -13.350 7.810 -1.858 1.00 0.00 N ATOM 202 CA ASP A 15 -12.528 7.856 -3.100 1.00 0.00 C ATOM 203 C ASP A 15 -11.125 8.383 -2.789 1.00 0.00 C ATOM 204 O ASP A 15 -10.815 8.726 -1.664 1.00 0.00 O ATOM 205 CB ASP A 15 -13.268 8.820 -4.028 1.00 0.00 C ATOM 206 CG ASP A 15 -13.399 8.194 -5.417 1.00 0.00 C ATOM 207 OD1 ASP A 15 -14.280 7.368 -5.592 1.00 0.00 O ATOM 208 OD2 ASP A 15 -12.617 8.551 -6.283 1.00 0.00 O ATOM 0 H ASP A 15 -14.279 8.224 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.404 6.870 -3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.255 9.044 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.728 9.765 -4.093 1.00 0.00 H new ATOM 213 N ASN A 16 -10.275 8.449 -3.777 1.00 0.00 N ATOM 214 CA ASN A 16 -8.892 8.956 -3.545 1.00 0.00 C ATOM 215 C ASN A 16 -8.142 8.043 -2.569 1.00 0.00 C ATOM 216 O ASN A 16 -7.127 8.416 -2.016 1.00 0.00 O ATOM 217 CB ASN A 16 -9.071 10.349 -2.941 1.00 0.00 C ATOM 218 CG ASN A 16 -10.061 11.152 -3.787 1.00 0.00 C ATOM 219 OD1 ASN A 16 -10.607 10.648 -4.746 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.312 12.394 -3.469 1.00 0.00 N ATOM 0 H ASN A 16 -10.479 8.173 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.309 8.982 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.434 10.268 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.111 10.864 -2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.968 12.941 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.852 12.817 -2.663 1.00 0.00 H new ATOM 227 N ALA A 17 -8.629 6.852 -2.353 1.00 0.00 N ATOM 228 CA ALA A 17 -7.931 5.930 -1.411 1.00 0.00 C ATOM 229 C ALA A 17 -8.044 4.482 -1.893 1.00 0.00 C ATOM 230 O ALA A 17 -8.823 4.162 -2.767 1.00 0.00 O ATOM 231 CB ALA A 17 -8.643 6.100 -0.068 1.00 0.00 C ATOM 0 H ALA A 17 -9.474 6.478 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.868 6.159 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.180 5.449 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.562 7.137 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.695 5.835 -0.178 1.00 0.00 H new ATOM 237 N ALA A 18 -7.274 3.605 -1.313 1.00 0.00 N ATOM 238 CA ALA A 18 -7.325 2.173 -1.714 1.00 0.00 C ATOM 239 C ALA A 18 -7.606 1.312 -0.481 1.00 0.00 C ATOM 240 O ALA A 18 -7.317 1.701 0.631 1.00 0.00 O ATOM 241 CB ALA A 18 -5.936 1.867 -2.281 1.00 0.00 C ATOM 0 H ALA A 18 -6.607 3.821 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.109 1.966 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.894 0.825 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.741 2.516 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.183 2.042 -1.513 1.00 0.00 H new ATOM 247 N CYS A 19 -8.170 0.152 -0.660 1.00 0.00 N ATOM 248 CA CYS A 19 -8.465 -0.718 0.516 1.00 0.00 C ATOM 249 C CYS A 19 -7.995 -2.146 0.245 1.00 0.00 C ATOM 250 O CYS A 19 -8.110 -2.647 -0.856 1.00 0.00 O ATOM 251 CB CYS A 19 -9.985 -0.670 0.673 1.00 0.00 C ATOM 252 SG CYS A 19 -10.764 -1.236 -0.859 1.00 0.00 S ATOM 0 H CYS A 19 -8.440 -0.233 -1.565 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.954 -0.383 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.296 -1.300 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.306 0.346 0.904 1.00 0.00 H new ATOM 257 N TYR A 20 -7.461 -2.807 1.235 1.00 0.00 N ATOM 258 CA TYR A 20 -6.982 -4.205 1.011 1.00 0.00 C ATOM 259 C TYR A 20 -7.610 -5.168 2.020 1.00 0.00 C ATOM 260 O TYR A 20 -7.779 -4.850 3.179 1.00 0.00 O ATOM 261 CB TYR A 20 -5.469 -4.141 1.209 1.00 0.00 C ATOM 262 CG TYR A 20 -4.883 -5.520 1.020 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.546 -5.967 -0.264 1.00 0.00 C ATOM 264 CD2 TYR A 20 -4.677 -6.352 2.128 1.00 0.00 C ATOM 265 CE1 TYR A 20 -4.005 -7.246 -0.440 1.00 0.00 C ATOM 266 CE2 TYR A 20 -4.135 -7.631 1.951 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.800 -8.078 0.667 1.00 0.00 C ATOM 268 OH TYR A 20 -3.268 -9.339 0.494 1.00 0.00 O ATOM 0 H TYR A 20 -7.335 -2.446 2.181 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.256 -4.571 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.026 -3.444 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.236 -3.768 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.704 -5.325 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.936 -6.007 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.746 -7.591 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.975 -8.273 2.805 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.191 -9.784 1.364 1.00 0.00 H new ATOM 278 N ARG A 21 -7.948 -6.352 1.586 1.00 0.00 N ATOM 279 CA ARG A 21 -8.552 -7.348 2.514 1.00 0.00 C ATOM 280 C ARG A 21 -7.684 -8.609 2.559 1.00 0.00 C ATOM 281 O ARG A 21 -7.265 -9.120 1.539 1.00 0.00 O ATOM 282 CB ARG A 21 -9.931 -7.657 1.924 1.00 0.00 C ATOM 283 CG ARG A 21 -10.407 -9.032 2.397 1.00 0.00 C ATOM 284 CD ARG A 21 -11.663 -9.432 1.620 1.00 0.00 C ATOM 285 NE ARG A 21 -12.417 -10.328 2.539 1.00 0.00 N ATOM 286 CZ ARG A 21 -13.293 -11.170 2.063 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.513 -11.231 0.777 1.00 0.00 N ATOM 288 NH2 ARG A 21 -13.953 -11.953 2.873 1.00 0.00 N ATOM 0 H ARG A 21 -7.831 -6.673 0.625 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.627 -6.976 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.645 -6.892 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.883 -7.634 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.622 -9.772 2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.620 -9.007 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.254 -8.557 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.407 -9.944 0.692 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.248 -10.284 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.000 -10.620 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.198 -11.890 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.784 -11.907 3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.638 -12.611 2.501 1.00 0.00 H new ATOM 302 N TYR A 22 -7.406 -9.111 3.730 1.00 0.00 N ATOM 303 CA TYR A 22 -6.559 -10.333 3.833 1.00 0.00 C ATOM 304 C TYR A 22 -7.416 -11.594 3.676 1.00 0.00 C ATOM 305 O TYR A 22 -8.628 -11.530 3.613 1.00 0.00 O ATOM 306 CB TYR A 22 -5.943 -10.273 5.231 1.00 0.00 C ATOM 307 CG TYR A 22 -4.569 -10.899 5.204 1.00 0.00 C ATOM 308 CD1 TYR A 22 -3.452 -10.122 4.878 1.00 0.00 C ATOM 309 CD2 TYR A 22 -4.414 -12.257 5.508 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.179 -10.702 4.854 1.00 0.00 C ATOM 311 CE2 TYR A 22 -3.140 -12.838 5.484 1.00 0.00 C ATOM 312 CZ TYR A 22 -2.021 -12.061 5.157 1.00 0.00 C ATOM 313 OH TYR A 22 -0.767 -12.633 5.133 1.00 0.00 O ATOM 0 H TYR A 22 -7.728 -8.729 4.619 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.798 -10.371 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.876 -9.238 5.566 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.579 -10.798 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.572 -9.074 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.276 -12.856 5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.317 -10.102 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.020 -13.886 5.718 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.836 -13.582 5.369 1.00 0.00 H new ATOM 323 N LEU A 23 -6.792 -12.737 3.613 1.00 0.00 N ATOM 324 CA LEU A 23 -7.560 -14.006 3.459 1.00 0.00 C ATOM 325 C LEU A 23 -8.409 -14.271 4.705 1.00 0.00 C ATOM 326 O LEU A 23 -9.405 -14.965 4.653 1.00 0.00 O ATOM 327 CB LEU A 23 -6.497 -15.093 3.292 1.00 0.00 C ATOM 328 CG LEU A 23 -5.509 -14.675 2.203 1.00 0.00 C ATOM 329 CD1 LEU A 23 -4.086 -14.702 2.766 1.00 0.00 C ATOM 330 CD2 LEU A 23 -5.607 -15.647 1.025 1.00 0.00 C ATOM 0 H LEU A 23 -5.779 -12.848 3.662 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.246 -13.972 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.972 -15.251 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.968 -16.040 3.027 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.748 -13.667 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.382 -14.404 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.014 -14.011 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.848 -15.710 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.903 -15.349 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.368 -16.655 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.620 -15.630 0.622 1.00 0.00 H new ATOM 342 N ASP A 24 -8.018 -13.730 5.827 1.00 0.00 N ATOM 343 CA ASP A 24 -8.802 -13.957 7.076 1.00 0.00 C ATOM 344 C ASP A 24 -10.070 -13.097 7.081 1.00 0.00 C ATOM 345 O ASP A 24 -10.783 -13.034 8.062 1.00 0.00 O ATOM 346 CB ASP A 24 -7.866 -13.534 8.209 1.00 0.00 C ATOM 347 CG ASP A 24 -7.390 -14.773 8.970 1.00 0.00 C ATOM 348 OD1 ASP A 24 -6.838 -15.657 8.336 1.00 0.00 O ATOM 349 OD2 ASP A 24 -7.585 -14.816 10.173 1.00 0.00 O ATOM 0 H ASP A 24 -7.191 -13.142 5.933 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.126 -14.993 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.011 -12.992 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.383 -12.855 8.887 1.00 0.00 H new ATOM 354 N GLY A 25 -10.358 -12.437 5.991 1.00 0.00 N ATOM 355 CA GLY A 25 -11.582 -11.589 5.939 1.00 0.00 C ATOM 356 C GLY A 25 -11.289 -10.226 6.566 1.00 0.00 C ATOM 357 O GLY A 25 -12.164 -9.392 6.701 1.00 0.00 O ATOM 0 H GLY A 25 -9.800 -12.449 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.906 -11.463 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.398 -12.078 6.471 1.00 0.00 H new ATOM 361 N THR A 26 -10.066 -9.990 6.953 1.00 0.00 N ATOM 362 CA THR A 26 -9.721 -8.678 7.572 1.00 0.00 C ATOM 363 C THR A 26 -9.883 -7.550 6.550 1.00 0.00 C ATOM 364 O THR A 26 -10.371 -7.754 5.457 1.00 0.00 O ATOM 365 CB THR A 26 -8.258 -8.812 7.994 1.00 0.00 C ATOM 366 OG1 THR A 26 -7.433 -8.840 6.837 1.00 0.00 O ATOM 367 CG2 THR A 26 -8.071 -10.106 8.788 1.00 0.00 C ATOM 0 H THR A 26 -9.291 -10.648 6.868 1.00 0.00 H new ATOM 0 HA THR A 26 -10.369 -8.437 8.415 1.00 0.00 H new ATOM 0 HB THR A 26 -7.980 -7.962 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.805 -8.088 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.028 -10.201 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.704 -10.083 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.348 -10.957 8.167 1.00 0.00 H new ATOM 375 N GLU A 27 -9.470 -6.362 6.896 1.00 0.00 N ATOM 376 CA GLU A 27 -9.596 -5.223 5.944 1.00 0.00 C ATOM 377 C GLU A 27 -8.463 -4.218 6.168 1.00 0.00 C ATOM 378 O GLU A 27 -7.988 -4.039 7.272 1.00 0.00 O ATOM 379 CB GLU A 27 -10.950 -4.589 6.258 1.00 0.00 C ATOM 380 CG GLU A 27 -12.065 -5.450 5.661 1.00 0.00 C ATOM 381 CD GLU A 27 -12.494 -6.509 6.677 1.00 0.00 C ATOM 382 OE1 GLU A 27 -12.013 -6.456 7.798 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.295 -7.356 6.319 1.00 0.00 O ATOM 0 H GLU A 27 -9.051 -6.131 7.797 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.531 -5.545 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.081 -4.501 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.995 -3.580 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.916 -4.825 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.718 -5.929 4.746 1.00 0.00 H new ATOM 390 N GLU A 28 -8.026 -3.563 5.128 1.00 0.00 N ATOM 391 CA GLU A 28 -6.925 -2.571 5.277 1.00 0.00 C ATOM 392 C GLU A 28 -7.277 -1.280 4.535 1.00 0.00 C ATOM 393 O GLU A 28 -7.835 -1.308 3.455 1.00 0.00 O ATOM 394 CB GLU A 28 -5.702 -3.236 4.640 1.00 0.00 C ATOM 395 CG GLU A 28 -4.496 -3.104 5.574 1.00 0.00 C ATOM 396 CD GLU A 28 -4.413 -1.672 6.104 1.00 0.00 C ATOM 397 OE1 GLU A 28 -4.387 -0.760 5.294 1.00 0.00 O ATOM 398 OE2 GLU A 28 -4.375 -1.510 7.313 1.00 0.00 O ATOM 0 H GLU A 28 -8.385 -3.672 4.180 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.748 -2.304 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.909 -4.288 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.482 -2.770 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.587 -3.805 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.580 -3.359 5.041 1.00 0.00 H new ATOM 405 N TRP A 29 -6.956 -0.149 5.101 1.00 0.00 N ATOM 406 CA TRP A 29 -7.277 1.136 4.420 1.00 0.00 C ATOM 407 C TRP A 29 -6.010 1.724 3.799 1.00 0.00 C ATOM 408 O TRP A 29 -5.028 1.965 4.472 1.00 0.00 O ATOM 409 CB TRP A 29 -7.802 2.055 5.523 1.00 0.00 C ATOM 410 CG TRP A 29 -9.249 1.771 5.775 1.00 0.00 C ATOM 411 CD1 TRP A 29 -10.253 2.661 5.605 1.00 0.00 C ATOM 412 CD2 TRP A 29 -9.870 0.536 6.240 1.00 0.00 C ATOM 413 NE1 TRP A 29 -11.450 2.054 5.937 1.00 0.00 N ATOM 414 CE2 TRP A 29 -11.267 0.744 6.334 1.00 0.00 C ATOM 415 CE3 TRP A 29 -9.367 -0.731 6.586 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -12.131 -0.266 6.756 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -10.235 -1.751 7.011 1.00 0.00 C ATOM 418 CH2 TRP A 29 -11.613 -1.518 7.097 1.00 0.00 C ATOM 0 H TRP A 29 -6.487 -0.060 6.002 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.004 1.008 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.228 1.905 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.672 3.098 5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.138 3.680 5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.358 2.517 5.894 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -8.306 -0.921 6.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.193 -0.082 6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.837 -2.720 7.273 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.275 -2.305 7.427 1.00 0.00 H new ATOM 429 N ARG A 30 -6.027 1.957 2.518 1.00 0.00 N ATOM 430 CA ARG A 30 -4.824 2.528 1.848 1.00 0.00 C ATOM 431 C ARG A 30 -5.188 3.840 1.146 1.00 0.00 C ATOM 432 O ARG A 30 -6.339 4.096 0.854 1.00 0.00 O ATOM 433 CB ARG A 30 -4.407 1.470 0.824 1.00 0.00 C ATOM 434 CG ARG A 30 -4.484 0.082 1.460 1.00 0.00 C ATOM 435 CD ARG A 30 -4.111 -0.979 0.421 1.00 0.00 C ATOM 436 NE ARG A 30 -5.246 -0.989 -0.544 1.00 0.00 N ATOM 437 CZ ARG A 30 -5.324 -1.923 -1.453 1.00 0.00 C ATOM 438 NH1 ARG A 30 -4.409 -2.852 -1.516 1.00 0.00 N ATOM 439 NH2 ARG A 30 -6.315 -1.926 -2.300 1.00 0.00 N ATOM 0 H ARG A 30 -6.822 1.777 1.904 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.023 2.754 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.058 1.518 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.393 1.666 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.808 0.024 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.490 -0.101 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.173 -0.732 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.979 -1.956 0.885 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.963 -0.265 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.632 -2.849 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.471 -3.581 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.029 -1.199 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.377 -2.655 -3.010 1.00 0.00 H new ATOM 453 N CYS A 31 -4.220 4.672 0.871 1.00 0.00 N ATOM 454 CA CYS A 31 -4.526 5.960 0.184 1.00 0.00 C ATOM 455 C CYS A 31 -3.558 6.184 -0.982 1.00 0.00 C ATOM 456 O CYS A 31 -2.539 5.529 -1.092 1.00 0.00 O ATOM 457 CB CYS A 31 -4.350 7.045 1.246 1.00 0.00 C ATOM 458 SG CYS A 31 -4.846 8.640 0.547 1.00 0.00 S ATOM 0 H CYS A 31 -3.236 4.517 1.091 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.533 5.968 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.954 6.814 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.312 7.085 1.575 1.00 0.00 H new ATOM 463 N LEU A 32 -3.870 7.102 -1.857 1.00 0.00 N ATOM 464 CA LEU A 32 -2.974 7.366 -3.020 1.00 0.00 C ATOM 465 C LEU A 32 -1.823 8.290 -2.611 1.00 0.00 C ATOM 466 O LEU A 32 -1.564 8.496 -1.443 1.00 0.00 O ATOM 467 CB LEU A 32 -3.865 8.048 -4.058 1.00 0.00 C ATOM 468 CG LEU A 32 -5.088 7.173 -4.336 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.143 7.991 -5.081 1.00 0.00 C ATOM 470 CD2 LEU A 32 -4.673 5.976 -5.194 1.00 0.00 C ATOM 0 H LEU A 32 -4.708 7.682 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.521 6.452 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.180 9.027 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.307 8.214 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.503 6.819 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.014 7.367 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.439 8.845 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.729 8.346 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.544 5.351 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.258 6.331 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.921 5.392 -4.664 1.00 0.00 H new ATOM 482 N LEU A 33 -1.130 8.847 -3.569 1.00 0.00 N ATOM 483 CA LEU A 33 0.004 9.758 -3.240 1.00 0.00 C ATOM 484 C LEU A 33 -0.493 11.203 -3.130 1.00 0.00 C ATOM 485 O LEU A 33 -1.643 11.495 -3.388 1.00 0.00 O ATOM 486 CB LEU A 33 0.979 9.613 -4.407 1.00 0.00 C ATOM 487 CG LEU A 33 2.217 8.841 -3.946 1.00 0.00 C ATOM 488 CD1 LEU A 33 2.704 7.932 -5.076 1.00 0.00 C ATOM 489 CD2 LEU A 33 3.324 9.830 -3.574 1.00 0.00 C ATOM 0 H LEU A 33 -1.301 8.710 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 33 0.470 9.510 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.498 9.090 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.268 10.597 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 33 1.963 8.234 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.586 7.383 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.916 7.228 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.958 8.537 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.207 9.281 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.577 10.437 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.978 10.477 -2.768 1.00 0.00 H new ATOM 501 N THR A 34 0.366 12.109 -2.745 1.00 0.00 N ATOM 502 CA THR A 34 -0.063 13.531 -2.615 1.00 0.00 C ATOM 503 C THR A 34 -1.343 13.613 -1.780 1.00 0.00 C ATOM 504 O THR A 34 -2.073 14.583 -1.834 1.00 0.00 O ATOM 505 CB THR A 34 -0.323 14.000 -4.046 1.00 0.00 C ATOM 506 OG1 THR A 34 0.905 14.041 -4.760 1.00 0.00 O ATOM 507 CG2 THR A 34 -0.948 15.396 -4.023 1.00 0.00 C ATOM 0 H THR A 34 1.343 11.926 -2.516 1.00 0.00 H new ATOM 0 HA THR A 34 0.685 14.148 -2.118 1.00 0.00 H new ATOM 0 HB THR A 34 -1.006 13.307 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.740 14.340 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.133 15.729 -5.044 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.890 15.364 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.267 16.091 -3.532 1.00 0.00 H new ATOM 515 N PHE A 35 -1.620 12.595 -1.013 1.00 0.00 N ATOM 516 CA PHE A 35 -2.852 12.600 -0.174 1.00 0.00 C ATOM 517 C PHE A 35 -2.519 12.130 1.245 1.00 0.00 C ATOM 518 O PHE A 35 -1.644 11.311 1.446 1.00 0.00 O ATOM 519 CB PHE A 35 -3.789 11.605 -0.857 1.00 0.00 C ATOM 520 CG PHE A 35 -5.159 12.219 -1.024 1.00 0.00 C ATOM 521 CD1 PHE A 35 -5.303 13.440 -1.692 1.00 0.00 C ATOM 522 CD2 PHE A 35 -6.286 11.560 -0.515 1.00 0.00 C ATOM 523 CE1 PHE A 35 -6.573 14.005 -1.851 1.00 0.00 C ATOM 524 CE2 PHE A 35 -7.557 12.124 -0.676 1.00 0.00 C ATOM 525 CZ PHE A 35 -7.702 13.347 -1.344 1.00 0.00 C ATOM 0 H PHE A 35 -1.044 11.757 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.296 13.592 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.387 11.322 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.860 10.693 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.434 13.946 -2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.174 10.618 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.684 14.949 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.426 11.616 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.683 13.782 -1.468 1.00 0.00 H new ATOM 535 N LYS A 36 -3.210 12.634 2.230 1.00 0.00 N ATOM 536 CA LYS A 36 -2.929 12.203 3.629 1.00 0.00 C ATOM 537 C LYS A 36 -4.202 11.645 4.270 1.00 0.00 C ATOM 538 O LYS A 36 -5.236 12.282 4.273 1.00 0.00 O ATOM 539 CB LYS A 36 -2.474 13.470 4.351 1.00 0.00 C ATOM 540 CG LYS A 36 -0.950 13.466 4.478 1.00 0.00 C ATOM 541 CD LYS A 36 -0.525 12.428 5.517 1.00 0.00 C ATOM 542 CE LYS A 36 -0.795 12.970 6.922 1.00 0.00 C ATOM 543 NZ LYS A 36 -0.824 11.767 7.800 1.00 0.00 N ATOM 0 H LYS A 36 -3.955 13.323 2.128 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.176 11.417 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.801 14.352 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.932 13.523 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.495 13.238 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.597 14.455 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.073 11.499 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.534 12.196 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.016 13.667 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.741 13.510 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.005 12.058 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.579 11.125 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.092 11.277 7.747 1.00 0.00 H new ATOM 557 N GLU A 37 -4.135 10.460 4.815 1.00 0.00 N ATOM 558 CA GLU A 37 -5.344 9.869 5.456 1.00 0.00 C ATOM 559 C GLU A 37 -5.287 10.054 6.973 1.00 0.00 C ATOM 560 O GLU A 37 -4.405 9.549 7.638 1.00 0.00 O ATOM 561 CB GLU A 37 -5.307 8.385 5.086 1.00 0.00 C ATOM 562 CG GLU A 37 -6.590 8.013 4.340 1.00 0.00 C ATOM 563 CD GLU A 37 -7.066 6.634 4.797 1.00 0.00 C ATOM 564 OE1 GLU A 37 -7.479 6.521 5.941 1.00 0.00 O ATOM 565 OE2 GLU A 37 -7.013 5.714 3.998 1.00 0.00 O ATOM 0 H GLU A 37 -3.298 9.878 4.844 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.264 10.346 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.438 8.176 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.207 7.777 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.363 8.758 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.410 8.009 3.265 1.00 0.00 H new ATOM 572 N GLU A 38 -6.226 10.774 7.525 1.00 0.00 N ATOM 573 CA GLU A 38 -6.230 10.990 9.000 1.00 0.00 C ATOM 574 C GLU A 38 -7.645 10.806 9.553 1.00 0.00 C ATOM 575 O GLU A 38 -8.481 11.682 9.453 1.00 0.00 O ATOM 576 CB GLU A 38 -5.763 12.434 9.189 1.00 0.00 C ATOM 577 CG GLU A 38 -4.392 12.618 8.534 1.00 0.00 C ATOM 578 CD GLU A 38 -3.970 14.085 8.636 1.00 0.00 C ATOM 579 OE1 GLU A 38 -3.439 14.457 9.669 1.00 0.00 O ATOM 580 OE2 GLU A 38 -4.183 14.810 7.678 1.00 0.00 O ATOM 0 H GLU A 38 -6.990 11.222 7.019 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.588 10.283 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.484 13.121 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.705 12.673 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.655 11.982 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.433 12.312 7.489 1.00 0.00 H new ATOM 587 N GLY A 39 -7.920 9.670 10.135 1.00 0.00 N ATOM 588 CA GLY A 39 -9.281 9.429 10.692 1.00 0.00 C ATOM 589 C GLY A 39 -10.080 8.548 9.729 1.00 0.00 C ATOM 590 O GLY A 39 -11.294 8.519 9.763 1.00 0.00 O ATOM 0 H GLY A 39 -7.261 8.899 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.206 8.946 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.796 10.378 10.845 1.00 0.00 H new ATOM 594 N GLY A 40 -9.410 7.832 8.868 1.00 0.00 N ATOM 595 CA GLY A 40 -10.134 6.957 7.903 1.00 0.00 C ATOM 596 C GLY A 40 -10.409 7.737 6.618 1.00 0.00 C ATOM 597 O GLY A 40 -10.839 7.185 5.624 1.00 0.00 O ATOM 0 H GLY A 40 -8.393 7.815 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.540 6.070 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.071 6.612 8.340 1.00 0.00 H new ATOM 601 N LYS A 41 -10.159 9.017 6.626 1.00 0.00 N ATOM 602 CA LYS A 41 -10.400 9.833 5.403 1.00 0.00 C ATOM 603 C LYS A 41 -9.075 10.391 4.880 1.00 0.00 C ATOM 604 O LYS A 41 -8.205 10.765 5.639 1.00 0.00 O ATOM 605 CB LYS A 41 -11.316 10.970 5.860 1.00 0.00 C ATOM 606 CG LYS A 41 -12.512 10.390 6.617 1.00 0.00 C ATOM 607 CD LYS A 41 -13.624 11.438 6.691 1.00 0.00 C ATOM 608 CE LYS A 41 -14.947 10.753 7.046 1.00 0.00 C ATOM 609 NZ LYS A 41 -15.956 11.850 7.050 1.00 0.00 N ATOM 0 H LYS A 41 -9.798 9.534 7.428 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.845 9.252 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.766 11.659 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.660 11.542 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.875 9.494 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.211 10.092 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.379 12.191 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.715 11.956 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.202 9.984 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.891 10.264 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.891 11.461 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.690 12.564 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.992 12.292 6.109 1.00 0.00 H new ATOM 623 N CYS A 42 -8.912 10.447 3.585 1.00 0.00 N ATOM 624 CA CYS A 42 -7.639 10.980 3.022 1.00 0.00 C ATOM 625 C CYS A 42 -7.894 12.301 2.294 1.00 0.00 C ATOM 626 O CYS A 42 -8.847 12.442 1.554 1.00 0.00 O ATOM 627 CB CYS A 42 -7.155 9.905 2.048 1.00 0.00 C ATOM 628 SG CYS A 42 -5.349 9.773 2.143 1.00 0.00 S ATOM 0 H CYS A 42 -9.602 10.148 2.896 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.899 11.187 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.614 8.946 2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.459 10.156 1.032 1.00 0.00 H new ATOM 633 N VAL A 43 -7.049 13.270 2.506 1.00 0.00 N ATOM 634 CA VAL A 43 -7.233 14.588 1.836 1.00 0.00 C ATOM 635 C VAL A 43 -5.952 14.988 1.108 1.00 0.00 C ATOM 636 O VAL A 43 -4.909 14.403 1.323 1.00 0.00 O ATOM 637 CB VAL A 43 -7.524 15.567 2.971 1.00 0.00 C ATOM 638 CG1 VAL A 43 -8.630 15.001 3.864 1.00 0.00 C ATOM 639 CG2 VAL A 43 -6.254 15.770 3.802 1.00 0.00 C ATOM 0 H VAL A 43 -6.235 13.206 3.117 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.032 14.569 1.095 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.847 16.521 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.837 15.700 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.534 14.852 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.308 14.047 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.458 16.469 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.934 14.814 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.464 16.172 3.167 1.00 0.00 H new ATOM 649 N PRO A 44 -6.069 15.983 0.273 1.00 0.00 N ATOM 650 CA PRO A 44 -4.895 16.471 -0.483 1.00 0.00 C ATOM 651 C PRO A 44 -3.779 16.848 0.492 1.00 0.00 C ATOM 652 O PRO A 44 -4.023 17.431 1.530 1.00 0.00 O ATOM 653 CB PRO A 44 -5.414 17.704 -1.223 1.00 0.00 C ATOM 654 CG PRO A 44 -6.906 17.572 -1.227 1.00 0.00 C ATOM 655 CD PRO A 44 -7.288 16.733 -0.037 1.00 0.00 C ATOM 0 HA PRO A 44 -4.481 15.729 -1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.103 18.621 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.021 17.746 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.378 18.553 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.247 17.105 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.601 17.352 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.119 16.067 -0.269 1.00 0.00 H new ATOM 663 N ALA A 45 -2.558 16.516 0.178 1.00 0.00 N ATOM 664 CA ALA A 45 -1.441 16.855 1.103 1.00 0.00 C ATOM 665 C ALA A 45 -0.526 17.906 0.471 1.00 0.00 C ATOM 666 O ALA A 45 -0.949 18.699 -0.348 1.00 0.00 O ATOM 667 CB ALA A 45 -0.686 15.541 1.308 1.00 0.00 C ATOM 0 H ALA A 45 -2.286 16.027 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.798 17.273 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.156 15.706 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.357 14.800 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.318 15.179 0.348 1.00 0.00 H new ATOM 673 N SER A 46 0.724 17.920 0.844 1.00 0.00 N ATOM 674 CA SER A 46 1.667 18.920 0.265 1.00 0.00 C ATOM 675 C SER A 46 3.000 18.884 1.017 1.00 0.00 C ATOM 676 O SER A 46 4.059 18.860 0.421 1.00 0.00 O ATOM 677 CB SER A 46 0.979 20.272 0.458 1.00 0.00 C ATOM 678 OG SER A 46 1.967 21.282 0.617 1.00 0.00 O ATOM 0 H SER A 46 1.134 17.282 1.526 1.00 0.00 H new ATOM 0 HA SER A 46 1.888 18.722 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.347 20.497 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.329 20.241 1.333 1.00 0.00 H new ATOM 0 HG SER A 46 1.530 22.151 0.739 1.00 0.00 H new ATOM 684 N ASN A 47 2.957 18.881 2.320 1.00 0.00 N ATOM 685 CA ASN A 47 4.221 18.847 3.110 1.00 0.00 C ATOM 686 C ASN A 47 4.675 17.401 3.325 1.00 0.00 C ATOM 687 O ASN A 47 5.672 17.142 3.966 1.00 0.00 O ATOM 688 CB ASN A 47 3.869 19.500 4.447 1.00 0.00 C ATOM 689 CG ASN A 47 2.733 18.720 5.112 1.00 0.00 C ATOM 690 OD1 ASN A 47 2.823 17.520 5.283 1.00 0.00 O ATOM 691 ND2 ASN A 47 1.660 19.354 5.498 1.00 0.00 N ATOM 0 H ASN A 47 2.100 18.901 2.873 1.00 0.00 H new ATOM 0 HA ASN A 47 5.037 19.363 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.743 19.516 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.570 20.536 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.898 18.843 5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.583 20.361 5.355 1.00 0.00 H new ATOM 698 N VAL A 48 3.948 16.454 2.792 1.00 0.00 N ATOM 699 CA VAL A 48 4.340 15.027 2.972 1.00 0.00 C ATOM 700 C VAL A 48 5.554 14.695 2.099 1.00 0.00 C ATOM 701 O VAL A 48 5.520 14.839 0.893 1.00 0.00 O ATOM 702 CB VAL A 48 3.123 14.219 2.524 1.00 0.00 C ATOM 703 CG1 VAL A 48 3.252 12.779 3.027 1.00 0.00 C ATOM 704 CG2 VAL A 48 1.853 14.848 3.102 1.00 0.00 C ATOM 0 H VAL A 48 3.103 16.607 2.242 1.00 0.00 H new ATOM 0 HA VAL A 48 4.619 14.805 4.002 1.00 0.00 H new ATOM 0 HB VAL A 48 3.067 14.220 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.384 12.203 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.157 12.330 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.308 12.777 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.984 14.272 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.909 14.847 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.760 15.874 2.745 1.00 0.00 H new ATOM 714 N THR A 49 6.622 14.249 2.700 1.00 0.00 N ATOM 715 CA THR A 49 7.839 13.905 1.908 1.00 0.00 C ATOM 716 C THR A 49 8.773 13.026 2.742 1.00 0.00 C ATOM 717 O THR A 49 8.604 12.887 3.937 1.00 0.00 O ATOM 718 CB THR A 49 8.504 15.247 1.594 1.00 0.00 C ATOM 719 OG1 THR A 49 8.448 16.081 2.743 1.00 0.00 O ATOM 720 CG2 THR A 49 7.773 15.923 0.434 1.00 0.00 C ATOM 0 H THR A 49 6.706 14.107 3.707 1.00 0.00 H new ATOM 0 HA THR A 49 7.600 13.350 1.001 1.00 0.00 H new ATOM 0 HB THR A 49 9.545 15.081 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.832 16.957 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.248 16.879 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.817 15.282 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.732 16.091 0.709 1.00 0.00 H new ATOM 728 N CYS A 50 9.752 12.431 2.120 1.00 0.00 N ATOM 729 CA CYS A 50 10.698 11.557 2.880 1.00 0.00 C ATOM 730 C CYS A 50 10.972 12.150 4.265 1.00 0.00 C ATOM 731 O CYS A 50 10.863 11.476 5.270 1.00 0.00 O ATOM 732 CB CYS A 50 11.980 11.533 2.051 1.00 0.00 C ATOM 733 SG CYS A 50 11.958 10.107 0.937 1.00 0.00 S ATOM 0 H CYS A 50 9.941 12.510 1.121 1.00 0.00 H new ATOM 0 HA CYS A 50 10.294 10.556 3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 50 12.070 12.455 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.848 11.481 2.708 1.00 0.00 H new ATOM 738 N LYS A 51 11.328 13.404 4.327 1.00 0.00 N ATOM 739 CA LYS A 51 11.608 14.034 5.650 1.00 0.00 C ATOM 740 C LYS A 51 10.552 13.604 6.670 1.00 0.00 C ATOM 741 O LYS A 51 10.797 13.574 7.859 1.00 0.00 O ATOM 742 CB LYS A 51 11.534 15.542 5.398 1.00 0.00 C ATOM 743 CG LYS A 51 10.184 15.893 4.772 1.00 0.00 C ATOM 744 CD LYS A 51 9.554 17.059 5.537 1.00 0.00 C ATOM 745 CE LYS A 51 9.058 16.569 6.899 1.00 0.00 C ATOM 746 NZ LYS A 51 9.885 17.303 7.896 1.00 0.00 N ATOM 0 H LYS A 51 11.437 14.019 3.521 1.00 0.00 H new ATOM 0 HA LYS A 51 12.577 13.739 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.663 16.084 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.344 15.850 4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.316 16.161 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.523 15.027 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.284 17.857 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.725 17.477 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.997 16.782 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.182 15.491 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.324 17.472 8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.724 16.737 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.185 18.214 7.494 1.00 0.00 H new ATOM 760 N ASP A 52 9.379 13.262 6.210 1.00 0.00 N ATOM 761 CA ASP A 52 8.307 12.825 7.149 1.00 0.00 C ATOM 762 C ASP A 52 8.201 11.299 7.141 1.00 0.00 C ATOM 763 O ASP A 52 9.112 10.608 6.728 1.00 0.00 O ATOM 764 CB ASP A 52 7.025 13.454 6.604 1.00 0.00 C ATOM 765 CG ASP A 52 6.018 13.633 7.743 1.00 0.00 C ATOM 766 OD1 ASP A 52 6.413 13.477 8.887 1.00 0.00 O ATOM 767 OD2 ASP A 52 4.868 13.923 7.452 1.00 0.00 O ATOM 0 H ASP A 52 9.117 13.266 5.224 1.00 0.00 H new ATOM 0 HA ASP A 52 8.503 13.129 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.247 14.418 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.600 12.821 5.825 1.00 0.00 H new ATOM 772 N ASN A 53 7.095 10.765 7.577 1.00 0.00 N ATOM 773 CA ASN A 53 6.936 9.293 7.575 1.00 0.00 C ATOM 774 C ASN A 53 6.290 8.862 6.264 1.00 0.00 C ATOM 775 O ASN A 53 5.134 9.127 6.006 1.00 0.00 O ATOM 776 CB ASN A 53 6.015 8.988 8.757 1.00 0.00 C ATOM 777 CG ASN A 53 5.515 7.545 8.658 1.00 0.00 C ATOM 778 OD1 ASN A 53 6.269 6.615 8.862 1.00 0.00 O ATOM 779 ND2 ASN A 53 4.267 7.319 8.354 1.00 0.00 N ATOM 0 H ASN A 53 6.296 11.289 7.934 1.00 0.00 H new ATOM 0 HA ASN A 53 7.885 8.764 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.550 9.135 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.170 9.677 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.924 6.361 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.634 8.100 8.183 1.00 0.00 H new ATOM 786 N ASN A 54 7.037 8.198 5.442 1.00 0.00 N ATOM 787 CA ASN A 54 6.495 7.732 4.132 1.00 0.00 C ATOM 788 C ASN A 54 5.661 8.836 3.471 1.00 0.00 C ATOM 789 O ASN A 54 4.524 9.067 3.832 1.00 0.00 O ATOM 790 CB ASN A 54 5.615 6.530 4.472 1.00 0.00 C ATOM 791 CG ASN A 54 6.494 5.300 4.710 1.00 0.00 C ATOM 792 OD1 ASN A 54 6.337 4.607 5.695 1.00 0.00 O ATOM 793 ND2 ASN A 54 7.421 4.999 3.841 1.00 0.00 N ATOM 0 H ASN A 54 8.011 7.952 5.616 1.00 0.00 H new ATOM 0 HA ASN A 54 7.288 7.474 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.020 6.742 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.915 6.337 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.013 4.182 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.553 5.581 3.014 1.00 0.00 H new ATOM 800 N GLY A 55 6.209 9.512 2.498 1.00 0.00 N ATOM 801 CA GLY A 55 5.439 10.592 1.811 1.00 0.00 C ATOM 802 C GLY A 55 4.339 9.965 0.950 1.00 0.00 C ATOM 803 O GLY A 55 4.113 10.364 -0.175 1.00 0.00 O ATOM 0 H GLY A 55 7.156 9.364 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.000 11.265 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.106 11.190 1.190 1.00 0.00 H new ATOM 807 N GLY A 56 3.657 8.979 1.468 1.00 0.00 N ATOM 808 CA GLY A 56 2.579 8.319 0.681 1.00 0.00 C ATOM 809 C GLY A 56 3.055 6.930 0.261 1.00 0.00 C ATOM 810 O GLY A 56 2.568 6.355 -0.693 1.00 0.00 O ATOM 0 H GLY A 56 3.801 8.602 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.670 8.242 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.334 8.916 -0.198 1.00 0.00 H new ATOM 814 N CYS A 57 4.012 6.392 0.965 1.00 0.00 N ATOM 815 CA CYS A 57 4.538 5.043 0.612 1.00 0.00 C ATOM 816 C CYS A 57 3.870 3.969 1.472 1.00 0.00 C ATOM 817 O CYS A 57 2.770 4.140 1.956 1.00 0.00 O ATOM 818 CB CYS A 57 6.032 5.115 0.915 1.00 0.00 C ATOM 819 SG CYS A 57 6.714 6.659 0.262 1.00 0.00 S ATOM 0 H CYS A 57 4.454 6.830 1.773 1.00 0.00 H new ATOM 0 HA CYS A 57 4.341 4.782 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.198 5.060 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.545 4.263 0.469 1.00 0.00 H new ATOM 824 N ALA A 58 4.531 2.861 1.667 1.00 0.00 N ATOM 825 CA ALA A 58 3.940 1.772 2.495 1.00 0.00 C ATOM 826 C ALA A 58 4.909 1.379 3.617 1.00 0.00 C ATOM 827 O ALA A 58 6.069 1.738 3.586 1.00 0.00 O ATOM 828 CB ALA A 58 3.730 0.613 1.518 1.00 0.00 C ATOM 0 H ALA A 58 5.457 2.663 1.288 1.00 0.00 H new ATOM 0 HA ALA A 58 3.009 2.068 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.296 -0.235 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.056 0.927 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.688 0.321 1.089 1.00 0.00 H new ATOM 834 N PRO A 59 4.393 0.660 4.576 1.00 0.00 N ATOM 835 CA PRO A 59 5.216 0.222 5.732 1.00 0.00 C ATOM 836 C PRO A 59 6.444 -0.569 5.264 1.00 0.00 C ATOM 837 O PRO A 59 7.385 -0.761 6.008 1.00 0.00 O ATOM 838 CB PRO A 59 4.277 -0.672 6.548 1.00 0.00 C ATOM 839 CG PRO A 59 3.088 -0.928 5.674 1.00 0.00 C ATOM 840 CD PRO A 59 3.012 0.193 4.676 1.00 0.00 C ATOM 0 HA PRO A 59 5.600 1.064 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.768 -1.606 6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.981 -0.183 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.185 -1.888 5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.177 -0.973 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.635 -0.152 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.344 0.986 5.014 1.00 0.00 H new ATOM 848 N GLU A 60 6.447 -1.029 4.044 1.00 0.00 N ATOM 849 CA GLU A 60 7.620 -1.806 3.547 1.00 0.00 C ATOM 850 C GLU A 60 8.160 -1.187 2.255 1.00 0.00 C ATOM 851 O GLU A 60 8.822 -1.840 1.473 1.00 0.00 O ATOM 852 CB GLU A 60 7.083 -3.213 3.283 1.00 0.00 C ATOM 853 CG GLU A 60 6.500 -3.789 4.575 1.00 0.00 C ATOM 854 CD GLU A 60 7.311 -5.016 4.998 1.00 0.00 C ATOM 855 OE1 GLU A 60 7.574 -5.850 4.147 1.00 0.00 O ATOM 856 OE2 GLU A 60 7.656 -5.099 6.166 1.00 0.00 O ATOM 0 H GLU A 60 5.692 -0.902 3.371 1.00 0.00 H new ATOM 0 HA GLU A 60 8.442 -1.811 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.317 -3.182 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.883 -3.855 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.521 -3.036 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.456 -4.064 4.425 1.00 0.00 H new ATOM 863 N ALA A 61 7.880 0.065 2.025 1.00 0.00 N ATOM 864 CA ALA A 61 8.372 0.727 0.782 1.00 0.00 C ATOM 865 C ALA A 61 9.418 1.793 1.119 1.00 0.00 C ATOM 866 O ALA A 61 9.402 2.379 2.183 1.00 0.00 O ATOM 867 CB ALA A 61 7.133 1.373 0.163 1.00 0.00 C ATOM 0 H ALA A 61 7.331 0.661 2.645 1.00 0.00 H new ATOM 0 HA ALA A 61 8.850 0.021 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.411 1.883 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.393 0.604 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.710 2.094 0.863 1.00 0.00 H new ATOM 873 N GLU A 62 10.323 2.051 0.216 1.00 0.00 N ATOM 874 CA GLU A 62 11.368 3.083 0.477 1.00 0.00 C ATOM 875 C GLU A 62 10.882 4.444 -0.029 1.00 0.00 C ATOM 876 O GLU A 62 10.176 4.531 -1.014 1.00 0.00 O ATOM 877 CB GLU A 62 12.593 2.620 -0.310 1.00 0.00 C ATOM 878 CG GLU A 62 13.865 3.075 0.409 1.00 0.00 C ATOM 879 CD GLU A 62 14.195 2.096 1.535 1.00 0.00 C ATOM 880 OE1 GLU A 62 13.268 1.574 2.131 1.00 0.00 O ATOM 881 OE2 GLU A 62 15.371 1.882 1.783 1.00 0.00 O ATOM 0 H GLU A 62 10.385 1.592 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 62 11.593 3.193 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.586 1.534 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.566 3.031 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.695 3.127 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.727 4.078 0.814 1.00 0.00 H new ATOM 888 N CYS A 63 11.242 5.505 0.639 1.00 0.00 N ATOM 889 CA CYS A 63 10.781 6.848 0.195 1.00 0.00 C ATOM 890 C CYS A 63 11.904 7.584 -0.539 1.00 0.00 C ATOM 891 O CYS A 63 12.998 7.752 -0.035 1.00 0.00 O ATOM 892 CB CYS A 63 10.373 7.578 1.484 1.00 0.00 C ATOM 893 SG CYS A 63 11.773 8.510 2.164 1.00 0.00 S ATOM 0 H CYS A 63 11.833 5.499 1.470 1.00 0.00 H new ATOM 0 HA CYS A 63 9.950 6.791 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.545 8.256 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.018 6.856 2.220 1.00 0.00 H new ATOM 898 N LYS A 64 11.629 8.028 -1.729 1.00 0.00 N ATOM 899 CA LYS A 64 12.656 8.766 -2.516 1.00 0.00 C ATOM 900 C LYS A 64 12.075 10.109 -2.969 1.00 0.00 C ATOM 901 O LYS A 64 10.973 10.176 -3.469 1.00 0.00 O ATOM 902 CB LYS A 64 12.953 7.873 -3.721 1.00 0.00 C ATOM 903 CG LYS A 64 14.358 7.278 -3.581 1.00 0.00 C ATOM 904 CD LYS A 64 15.399 8.386 -3.746 1.00 0.00 C ATOM 905 CE LYS A 64 16.675 8.004 -2.991 1.00 0.00 C ATOM 906 NZ LYS A 64 16.677 8.866 -1.777 1.00 0.00 N ATOM 0 H LYS A 64 10.730 7.912 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 64 13.559 8.975 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.213 7.075 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.881 8.451 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.468 6.803 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.513 6.504 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.620 8.537 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.006 9.328 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.675 6.947 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.562 8.179 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.523 8.662 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.684 9.866 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.825 8.673 -1.213 1.00 0.00 H new ATOM 920 N MET A 65 12.799 11.177 -2.789 1.00 0.00 N ATOM 921 CA MET A 65 12.266 12.507 -3.202 1.00 0.00 C ATOM 922 C MET A 65 12.865 12.931 -4.546 1.00 0.00 C ATOM 923 O MET A 65 14.002 12.632 -4.856 1.00 0.00 O ATOM 924 CB MET A 65 12.694 13.463 -2.092 1.00 0.00 C ATOM 925 CG MET A 65 11.957 13.107 -0.802 1.00 0.00 C ATOM 926 SD MET A 65 11.800 14.587 0.230 1.00 0.00 S ATOM 927 CE MET A 65 10.620 15.470 -0.820 1.00 0.00 C ATOM 0 H MET A 65 13.732 11.189 -2.376 1.00 0.00 H new ATOM 0 HA MET A 65 11.184 12.495 -3.335 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.771 13.399 -1.938 1.00 0.00 H new ATOM 0 HB3 MET A 65 12.473 14.491 -2.378 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.970 12.705 -1.033 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.499 12.330 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.242 16.343 -0.288 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.117 15.790 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.790 14.809 -1.069 1.00 0.00 H new ATOM 937 N THR A 66 12.102 13.623 -5.348 1.00 0.00 N ATOM 938 CA THR A 66 12.615 14.065 -6.677 1.00 0.00 C ATOM 939 C THR A 66 13.154 15.496 -6.598 1.00 0.00 C ATOM 940 O THR A 66 13.138 16.124 -5.557 1.00 0.00 O ATOM 941 CB THR A 66 11.403 14.000 -7.609 1.00 0.00 C ATOM 942 OG1 THR A 66 10.378 13.230 -6.997 1.00 0.00 O ATOM 943 CG2 THR A 66 11.811 13.352 -8.933 1.00 0.00 C ATOM 0 H THR A 66 11.143 13.902 -5.140 1.00 0.00 H new ATOM 0 HA THR A 66 13.437 13.440 -7.027 1.00 0.00 H new ATOM 0 HB THR A 66 11.035 15.008 -7.799 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.600 13.189 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.948 13.306 -9.597 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.597 13.944 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.179 12.343 -8.746 1.00 0.00 H new ATOM 951 N ASP A 67 13.631 16.013 -7.697 1.00 0.00 N ATOM 952 CA ASP A 67 14.177 17.403 -7.706 1.00 0.00 C ATOM 953 C ASP A 67 13.074 18.414 -7.379 1.00 0.00 C ATOM 954 O ASP A 67 13.337 19.566 -7.100 1.00 0.00 O ATOM 955 CB ASP A 67 14.692 17.615 -9.130 1.00 0.00 C ATOM 956 CG ASP A 67 13.564 17.344 -10.126 1.00 0.00 C ATOM 957 OD1 ASP A 67 13.373 16.190 -10.475 1.00 0.00 O ATOM 958 OD2 ASP A 67 12.911 18.295 -10.524 1.00 0.00 O ATOM 0 H ASP A 67 13.667 15.531 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 67 14.961 17.541 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.058 18.635 -9.248 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.533 16.950 -9.327 1.00 0.00 H new ATOM 963 N SER A 68 11.840 17.990 -7.409 1.00 0.00 N ATOM 964 CA SER A 68 10.723 18.926 -7.099 1.00 0.00 C ATOM 965 C SER A 68 10.325 18.771 -5.634 1.00 0.00 C ATOM 966 O SER A 68 9.314 19.277 -5.192 1.00 0.00 O ATOM 967 CB SER A 68 9.579 18.498 -8.017 1.00 0.00 C ATOM 968 OG SER A 68 9.635 17.090 -8.211 1.00 0.00 O ATOM 0 H SER A 68 11.557 17.036 -7.635 1.00 0.00 H new ATOM 0 HA SER A 68 10.992 19.971 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.621 18.779 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.654 19.012 -8.975 1.00 0.00 H new ATOM 0 HG SER A 68 8.902 16.811 -8.798 1.00 0.00 H new ATOM 974 N ASN A 69 11.121 18.066 -4.882 1.00 0.00 N ATOM 975 CA ASN A 69 10.811 17.860 -3.444 1.00 0.00 C ATOM 976 C ASN A 69 9.598 16.937 -3.295 1.00 0.00 C ATOM 977 O ASN A 69 8.996 16.850 -2.244 1.00 0.00 O ATOM 978 CB ASN A 69 10.504 19.252 -2.893 1.00 0.00 C ATOM 979 CG ASN A 69 10.984 19.344 -1.444 1.00 0.00 C ATOM 980 OD1 ASN A 69 10.187 19.409 -0.530 1.00 0.00 O ATOM 981 ND2 ASN A 69 12.264 19.354 -1.193 1.00 0.00 N ATOM 0 H ASN A 69 11.980 17.621 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 69 11.635 17.390 -2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.997 20.012 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.433 19.448 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.594 19.416 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.934 19.299 -1.960 1.00 0.00 H new ATOM 988 N LYS A 70 9.240 16.247 -4.341 1.00 0.00 N ATOM 989 CA LYS A 70 8.071 15.326 -4.263 1.00 0.00 C ATOM 990 C LYS A 70 8.536 13.936 -3.824 1.00 0.00 C ATOM 991 O LYS A 70 9.369 13.322 -4.462 1.00 0.00 O ATOM 992 CB LYS A 70 7.513 15.279 -5.686 1.00 0.00 C ATOM 993 CG LYS A 70 6.361 16.279 -5.814 1.00 0.00 C ATOM 994 CD LYS A 70 5.048 15.596 -5.424 1.00 0.00 C ATOM 995 CE LYS A 70 4.954 15.507 -3.899 1.00 0.00 C ATOM 996 NZ LYS A 70 3.520 15.212 -3.622 1.00 0.00 N ATOM 0 H LYS A 70 9.706 16.281 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 70 7.323 15.658 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.298 15.518 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.163 14.273 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.540 17.141 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.300 16.651 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.202 16.158 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.000 14.599 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.602 14.722 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.264 16.440 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.447 14.600 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.010 16.101 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.100 14.729 -4.442 1.00 0.00 H new ATOM 1010 N ILE A 71 8.015 13.433 -2.739 1.00 0.00 N ATOM 1011 CA ILE A 71 8.443 12.091 -2.268 1.00 0.00 C ATOM 1012 C ILE A 71 7.824 10.990 -3.129 1.00 0.00 C ATOM 1013 O ILE A 71 6.619 10.858 -3.217 1.00 0.00 O ATOM 1014 CB ILE A 71 7.919 11.999 -0.837 1.00 0.00 C ATOM 1015 CG1 ILE A 71 8.191 10.599 -0.285 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.412 12.263 -0.835 1.00 0.00 C ATOM 1017 CD1 ILE A 71 9.536 10.097 -0.812 1.00 0.00 C ATOM 0 H ILE A 71 7.313 13.894 -2.161 1.00 0.00 H new ATOM 0 HA ILE A 71 9.524 11.963 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 71 8.422 12.739 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.201 10.621 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.394 9.918 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.033 12.198 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.217 13.259 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.912 11.520 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.731 9.099 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.509 10.059 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.328 10.774 -0.492 1.00 0.00 H new ATOM 1029 N VAL A 72 8.642 10.190 -3.750 1.00 0.00 N ATOM 1030 CA VAL A 72 8.114 9.082 -4.590 1.00 0.00 C ATOM 1031 C VAL A 72 8.175 7.776 -3.797 1.00 0.00 C ATOM 1032 O VAL A 72 9.153 7.486 -3.138 1.00 0.00 O ATOM 1033 CB VAL A 72 9.043 9.021 -5.803 1.00 0.00 C ATOM 1034 CG1 VAL A 72 8.449 8.084 -6.856 1.00 0.00 C ATOM 1035 CG2 VAL A 72 9.193 10.424 -6.399 1.00 0.00 C ATOM 0 H VAL A 72 9.659 10.256 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 72 7.077 9.236 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 72 10.019 8.648 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.112 8.041 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.339 7.085 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.473 8.457 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.855 10.383 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.215 10.795 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.615 11.094 -5.650 1.00 0.00 H new ATOM 1045 N CYS A 73 7.135 6.995 -3.839 1.00 0.00 N ATOM 1046 CA CYS A 73 7.136 5.720 -3.067 1.00 0.00 C ATOM 1047 C CYS A 73 7.347 4.521 -3.994 1.00 0.00 C ATOM 1048 O CYS A 73 6.687 4.374 -5.004 1.00 0.00 O ATOM 1049 CB CYS A 73 5.755 5.656 -2.420 1.00 0.00 C ATOM 1050 SG CYS A 73 5.542 7.081 -1.328 1.00 0.00 S ATOM 0 H CYS A 73 6.286 7.182 -4.372 1.00 0.00 H new ATOM 0 HA CYS A 73 7.941 5.689 -2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.981 5.652 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.648 4.730 -1.854 1.00 0.00 H new ATOM 1055 N LYS A 74 8.261 3.658 -3.646 1.00 0.00 N ATOM 1056 CA LYS A 74 8.520 2.456 -4.486 1.00 0.00 C ATOM 1057 C LYS A 74 8.817 1.254 -3.586 1.00 0.00 C ATOM 1058 O LYS A 74 9.776 1.247 -2.841 1.00 0.00 O ATOM 1059 CB LYS A 74 9.747 2.815 -5.326 1.00 0.00 C ATOM 1060 CG LYS A 74 10.370 1.538 -5.895 1.00 0.00 C ATOM 1061 CD LYS A 74 11.692 1.877 -6.583 1.00 0.00 C ATOM 1062 CE LYS A 74 12.022 0.802 -7.619 1.00 0.00 C ATOM 1063 NZ LYS A 74 13.446 0.447 -7.365 1.00 0.00 N ATOM 0 H LYS A 74 8.842 3.735 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 74 7.668 2.190 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.462 3.485 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.476 3.346 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.539 0.816 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.687 1.073 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.623 2.852 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.491 1.942 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.373 -0.066 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.883 1.176 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.746 -0.287 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.041 1.291 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.546 0.088 -6.394 1.00 0.00 H new ATOM 1077 N CYS A 75 8.000 0.241 -3.647 1.00 0.00 N ATOM 1078 CA CYS A 75 8.238 -0.955 -2.790 1.00 0.00 C ATOM 1079 C CYS A 75 8.837 -2.092 -3.623 1.00 0.00 C ATOM 1080 O CYS A 75 8.336 -2.434 -4.675 1.00 0.00 O ATOM 1081 CB CYS A 75 6.859 -1.348 -2.265 1.00 0.00 C ATOM 1082 SG CYS A 75 6.991 -1.854 -0.531 1.00 0.00 S ATOM 0 H CYS A 75 7.180 0.188 -4.251 1.00 0.00 H new ATOM 0 HA CYS A 75 8.939 -0.749 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.170 -0.508 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.450 -2.163 -2.862 1.00 0.00 H new ATOM 1087 N THR A 76 9.905 -2.678 -3.161 1.00 0.00 N ATOM 1088 CA THR A 76 10.532 -3.791 -3.931 1.00 0.00 C ATOM 1089 C THR A 76 11.213 -4.780 -2.980 1.00 0.00 C ATOM 1090 O THR A 76 11.998 -5.610 -3.393 1.00 0.00 O ATOM 1091 CB THR A 76 11.566 -3.116 -4.834 1.00 0.00 C ATOM 1092 OG1 THR A 76 12.696 -2.740 -4.058 1.00 0.00 O ATOM 1093 CG2 THR A 76 10.951 -1.873 -5.478 1.00 0.00 C ATOM 0 H THR A 76 10.371 -2.437 -2.286 1.00 0.00 H new ATOM 0 HA THR A 76 9.799 -4.359 -4.504 1.00 0.00 H new ATOM 0 HB THR A 76 11.875 -3.811 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.360 -2.309 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 76 11.689 -1.393 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.085 -2.162 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.640 -1.176 -4.700 1.00 0.00 H new ATOM 1101 N LYS A 77 10.918 -4.700 -1.712 1.00 0.00 N ATOM 1102 CA LYS A 77 11.550 -5.640 -0.742 1.00 0.00 C ATOM 1103 C LYS A 77 11.392 -7.082 -1.231 1.00 0.00 C ATOM 1104 O LYS A 77 10.417 -7.744 -0.938 1.00 0.00 O ATOM 1105 CB LYS A 77 10.788 -5.432 0.567 1.00 0.00 C ATOM 1106 CG LYS A 77 11.578 -6.049 1.722 1.00 0.00 C ATOM 1107 CD LYS A 77 11.669 -7.564 1.529 1.00 0.00 C ATOM 1108 CE LYS A 77 11.992 -8.233 2.866 1.00 0.00 C ATOM 1109 NZ LYS A 77 11.388 -9.591 2.772 1.00 0.00 N ATOM 0 H LYS A 77 10.269 -4.027 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 77 12.618 -5.457 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.634 -4.368 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.801 -5.890 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.578 -5.617 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.092 -5.822 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.727 -7.948 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.440 -7.802 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.068 -8.290 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.572 -7.671 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.568 -10.113 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.362 -9.505 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.812 -10.105 1.973 1.00 0.00 H new ATOM 1123 N GLU A 78 12.344 -7.573 -1.979 1.00 0.00 N ATOM 1124 CA GLU A 78 12.245 -8.972 -2.489 1.00 0.00 C ATOM 1125 C GLU A 78 11.114 -9.081 -3.506 1.00 0.00 C ATOM 1126 O GLU A 78 10.822 -8.147 -4.226 1.00 0.00 O ATOM 1127 CB GLU A 78 11.948 -9.827 -1.255 1.00 0.00 C ATOM 1128 CG GLU A 78 12.834 -11.073 -1.270 1.00 0.00 C ATOM 1129 CD GLU A 78 11.961 -12.321 -1.128 1.00 0.00 C ATOM 1130 OE1 GLU A 78 11.563 -12.618 -0.014 1.00 0.00 O ATOM 1131 OE2 GLU A 78 11.707 -12.958 -2.137 1.00 0.00 O ATOM 0 H GLU A 78 13.184 -7.067 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 78 13.156 -9.294 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.129 -9.250 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.897 -10.116 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.402 -11.117 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.558 -11.028 -0.456 1.00 0.00 H new ATOM 1138 N GLY A 79 10.468 -10.210 -3.570 1.00 0.00 N ATOM 1139 CA GLY A 79 9.348 -10.370 -4.540 1.00 0.00 C ATOM 1140 C GLY A 79 8.186 -9.462 -4.130 1.00 0.00 C ATOM 1141 O GLY A 79 7.032 -9.809 -4.283 1.00 0.00 O ATOM 0 H GLY A 79 10.666 -11.028 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.684 -10.117 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.020 -11.409 -4.566 1.00 0.00 H new ATOM 1145 N SER A 80 8.483 -8.303 -3.606 1.00 0.00 N ATOM 1146 CA SER A 80 7.393 -7.375 -3.183 1.00 0.00 C ATOM 1147 C SER A 80 6.794 -6.665 -4.401 1.00 0.00 C ATOM 1148 O SER A 80 7.495 -6.288 -5.321 1.00 0.00 O ATOM 1149 CB SER A 80 8.070 -6.368 -2.256 1.00 0.00 C ATOM 1150 OG SER A 80 7.530 -5.074 -2.491 1.00 0.00 O ATOM 0 H SER A 80 9.431 -7.959 -3.453 1.00 0.00 H new ATOM 0 HA SER A 80 6.574 -7.899 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.917 -6.655 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.146 -6.362 -2.430 1.00 0.00 H new ATOM 0 HG SER A 80 7.962 -4.426 -1.896 1.00 0.00 H new ATOM 1156 N GLU A 81 5.503 -6.480 -4.412 1.00 0.00 N ATOM 1157 CA GLU A 81 4.856 -5.794 -5.569 1.00 0.00 C ATOM 1158 C GLU A 81 3.959 -4.656 -5.075 1.00 0.00 C ATOM 1159 O GLU A 81 2.905 -4.894 -4.522 1.00 0.00 O ATOM 1160 CB GLU A 81 4.022 -6.875 -6.255 1.00 0.00 C ATOM 1161 CG GLU A 81 3.273 -6.268 -7.443 1.00 0.00 C ATOM 1162 CD GLU A 81 3.003 -7.355 -8.485 1.00 0.00 C ATOM 1163 OE1 GLU A 81 3.223 -8.514 -8.175 1.00 0.00 O ATOM 1164 OE2 GLU A 81 2.579 -7.009 -9.576 1.00 0.00 O ATOM 0 H GLU A 81 4.867 -6.774 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 81 5.586 -5.351 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.667 -7.686 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.314 -7.306 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.333 -5.829 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.861 -5.464 -7.885 1.00 0.00 H new ATOM 1171 N PRO A 82 4.412 -3.452 -5.298 1.00 0.00 N ATOM 1172 CA PRO A 82 3.644 -2.256 -4.869 1.00 0.00 C ATOM 1173 C PRO A 82 2.258 -2.254 -5.517 1.00 0.00 C ATOM 1174 O PRO A 82 2.083 -2.703 -6.633 1.00 0.00 O ATOM 1175 CB PRO A 82 4.477 -1.076 -5.369 1.00 0.00 C ATOM 1176 CG PRO A 82 5.836 -1.631 -5.661 1.00 0.00 C ATOM 1177 CD PRO A 82 5.669 -3.098 -5.960 1.00 0.00 C ATOM 0 HA PRO A 82 3.482 -2.223 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.034 -0.635 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.530 -0.288 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.287 -1.115 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.501 -1.486 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.622 -3.284 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.503 -3.682 -5.572 1.00 0.00 H new ATOM 1185 N LEU A 83 1.269 -1.760 -4.824 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.105 -1.740 -5.401 1.00 0.00 C ATOM 1187 C LEU A 83 -0.510 -0.318 -5.794 1.00 0.00 C ATOM 1188 O LEU A 83 -0.545 0.582 -4.982 1.00 0.00 O ATOM 1189 CB LEU A 83 -1.001 -2.293 -4.294 1.00 0.00 C ATOM 1190 CG LEU A 83 -2.034 -3.246 -4.895 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -1.327 -4.281 -5.772 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -2.780 -3.963 -3.767 1.00 0.00 C ATOM 0 H LEU A 83 1.352 -1.370 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.180 -2.331 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.398 -2.816 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.504 -1.475 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.741 -2.679 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.065 -4.960 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.792 -3.773 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.620 -4.848 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.517 -4.643 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.070 -4.529 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.284 -3.228 -3.140 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.811 -0.134 -7.053 1.00 0.00 N ATOM 1205 CA PHE A 84 -1.218 1.204 -7.581 1.00 0.00 C ATOM 1206 C PHE A 84 -0.358 2.338 -7.016 1.00 0.00 C ATOM 1207 O PHE A 84 0.416 2.952 -7.722 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.701 1.395 -7.209 1.00 0.00 C ATOM 1209 CG PHE A 84 -2.998 0.906 -5.805 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.281 -0.444 -5.578 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.020 1.812 -4.734 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -3.579 -0.891 -4.283 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.320 1.366 -3.443 1.00 0.00 C ATOM 1214 CZ PHE A 84 -3.598 0.015 -3.217 1.00 0.00 C ATOM 0 H PHE A 84 -0.791 -0.874 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.074 1.238 -8.661 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.963 2.450 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.326 0.857 -7.921 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.270 -1.143 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.805 2.856 -4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.794 -1.935 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.337 2.066 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.827 -0.330 -2.219 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.499 2.631 -5.763 1.00 0.00 N ATOM 1225 CA GLU A 85 0.295 3.743 -5.158 1.00 0.00 C ATOM 1226 C GLU A 85 1.591 3.223 -4.537 1.00 0.00 C ATOM 1227 O GLU A 85 2.554 3.950 -4.392 1.00 0.00 O ATOM 1228 CB GLU A 85 -0.613 4.331 -4.079 1.00 0.00 C ATOM 1229 CG GLU A 85 -0.054 5.680 -3.625 1.00 0.00 C ATOM 1230 CD GLU A 85 0.254 5.630 -2.126 1.00 0.00 C ATOM 1231 OE1 GLU A 85 1.119 4.859 -1.747 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -0.381 6.363 -1.387 1.00 0.00 O ATOM 0 H GLU A 85 -1.131 2.151 -5.122 1.00 0.00 H new ATOM 0 HA GLU A 85 0.588 4.481 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.624 4.456 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.679 3.648 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.851 5.917 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.774 6.472 -3.832 1.00 0.00 H new ATOM 1239 N GLY A 86 1.620 1.981 -4.151 1.00 0.00 N ATOM 1240 CA GLY A 86 2.848 1.433 -3.517 1.00 0.00 C ATOM 1241 C GLY A 86 2.652 1.406 -2.006 1.00 0.00 C ATOM 1242 O GLY A 86 3.416 0.800 -1.284 1.00 0.00 O ATOM 0 H GLY A 86 0.848 1.322 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.048 0.428 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.711 2.047 -3.774 1.00 0.00 H new ATOM 1246 N VAL A 87 1.619 2.052 -1.522 1.00 0.00 N ATOM 1247 CA VAL A 87 1.361 2.053 -0.055 1.00 0.00 C ATOM 1248 C VAL A 87 1.118 0.619 0.416 1.00 0.00 C ATOM 1249 O VAL A 87 1.078 0.333 1.595 1.00 0.00 O ATOM 1250 CB VAL A 87 0.109 2.921 0.122 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -1.093 2.048 0.492 1.00 0.00 C ATOM 1252 CG2 VAL A 87 0.351 3.946 1.232 1.00 0.00 C ATOM 0 H VAL A 87 0.947 2.577 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 87 2.196 2.441 0.529 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.100 3.435 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.975 2.676 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.273 1.321 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.888 1.524 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.539 4.563 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.568 3.427 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.197 4.579 0.964 1.00 0.00 H new ATOM 1262 N PHE A 88 0.965 -0.283 -0.512 1.00 0.00 N ATOM 1263 CA PHE A 88 0.736 -1.704 -0.149 1.00 0.00 C ATOM 1264 C PHE A 88 1.443 -2.606 -1.159 1.00 0.00 C ATOM 1265 O PHE A 88 0.922 -2.892 -2.216 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.777 -1.898 -0.230 1.00 0.00 C ATOM 1267 CG PHE A 88 -1.121 -3.274 0.280 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -1.190 -3.512 1.657 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.364 -4.313 -0.625 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -1.503 -4.791 2.130 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.677 -5.593 -0.152 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.747 -5.833 1.226 1.00 0.00 C ATOM 0 H PHE A 88 0.989 -0.093 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 88 1.121 -1.951 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.287 -1.138 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.117 -1.781 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.002 -2.709 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.310 -4.128 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.557 -4.975 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.865 -6.396 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.989 -6.820 1.591 1.00 0.00 H new ATOM 1282 N CYS A 89 2.630 -3.049 -0.857 1.00 0.00 N ATOM 1283 CA CYS A 89 3.353 -3.919 -1.824 1.00 0.00 C ATOM 1284 C CYS A 89 3.413 -5.359 -1.314 1.00 0.00 C ATOM 1285 O CYS A 89 3.816 -5.620 -0.199 1.00 0.00 O ATOM 1286 CB CYS A 89 4.756 -3.322 -1.932 1.00 0.00 C ATOM 1287 SG CYS A 89 5.492 -3.187 -0.285 1.00 0.00 S ATOM 0 H CYS A 89 3.128 -2.849 0.010 1.00 0.00 H new ATOM 0 HA CYS A 89 2.853 -3.954 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.380 -3.949 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.708 -2.339 -2.401 1.00 0.00 H new ATOM 1292 N SER A 90 3.010 -6.294 -2.129 1.00 0.00 N ATOM 1293 CA SER A 90 3.038 -7.723 -1.701 1.00 0.00 C ATOM 1294 C SER A 90 3.484 -8.615 -2.861 1.00 0.00 C ATOM 1295 O SER A 90 2.663 -9.374 -3.350 1.00 0.00 O ATOM 1296 CB SER A 90 1.598 -8.043 -1.302 1.00 0.00 C ATOM 1297 OG SER A 90 1.591 -9.177 -0.443 1.00 0.00 O ATOM 1298 OXT SER A 90 4.640 -8.524 -3.241 1.00 0.00 O ATOM 0 H SER A 90 2.662 -6.131 -3.074 1.00 0.00 H new ATOM 0 HA SER A 90 3.737 -7.896 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.149 -7.187 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.997 -8.241 -2.190 1.00 0.00 H new ATOM 0 HG SER A 90 0.669 -9.385 -0.183 1.00 0.00 H new TER 1304 SER A 90