USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 615 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0311 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0334 USER MOD Single : A 5 SER OG : rot 14:sc= 0.564 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -150:sc= -0.469 (180deg=-1.56!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 0.0155 (180deg=-0.42) USER MOD Single : A 21 THR OG1 : rot 91:sc= 0.371 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.029) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.635 K(o=-0.64,f=-4.2!) USER MOD Single : A 56 THR OG1 : rot -12:sc= 0.444 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.27 K(o=-1.3,f=-9.7!) USER MOD Single : A 79 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-4.5!) USER MOD Single : A 82 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.0088) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.084 17.617 -4.228 1.00 0.00 N ATOM 2 CA GLY A 1 20.816 16.563 -4.906 1.00 0.00 C ATOM 3 C GLY A 1 19.922 15.413 -5.325 1.00 0.00 C ATOM 4 O GLY A 1 18.913 15.135 -4.677 1.00 0.00 O ATOM 0 H1 GLY A 1 20.040 18.457 -4.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.119 17.290 -4.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.568 17.860 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.309 16.976 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.600 16.188 -4.248 1.00 0.00 H new ATOM 8 N SER A 2 20.292 14.744 -6.412 1.00 0.00 N ATOM 9 CA SER A 2 19.512 13.620 -6.920 1.00 0.00 C ATOM 10 C SER A 2 20.426 12.531 -7.472 1.00 0.00 C ATOM 11 O SER A 2 21.639 12.715 -7.573 1.00 0.00 O ATOM 12 CB SER A 2 18.547 14.093 -8.009 1.00 0.00 C ATOM 13 OG SER A 2 17.594 15.002 -7.486 1.00 0.00 O ATOM 0 H SER A 2 21.126 14.960 -6.958 1.00 0.00 H new ATOM 0 HA SER A 2 18.938 13.203 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.107 14.571 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.035 13.234 -8.444 1.00 0.00 H new ATOM 0 HG SER A 2 16.990 15.291 -8.202 1.00 0.00 H new ATOM 19 N SER A 3 19.835 11.395 -7.827 1.00 0.00 N ATOM 20 CA SER A 3 20.595 10.273 -8.366 1.00 0.00 C ATOM 21 C SER A 3 19.682 9.310 -9.118 1.00 0.00 C ATOM 22 O SER A 3 18.464 9.481 -9.141 1.00 0.00 O ATOM 23 CB SER A 3 21.319 9.533 -7.240 1.00 0.00 C ATOM 24 OG SER A 3 22.290 8.640 -7.758 1.00 0.00 O ATOM 0 H SER A 3 18.832 11.227 -7.751 1.00 0.00 H new ATOM 0 HA SER A 3 21.332 10.668 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.799 10.253 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.596 8.981 -6.640 1.00 0.00 H new ATOM 0 HG SER A 3 22.740 8.181 -7.018 1.00 0.00 H new ATOM 30 N GLY A 4 20.281 8.295 -9.734 1.00 0.00 N ATOM 31 CA GLY A 4 19.509 7.318 -10.479 1.00 0.00 C ATOM 32 C GLY A 4 20.197 5.970 -10.555 1.00 0.00 C ATOM 33 O GLY A 4 21.241 5.763 -9.938 1.00 0.00 O ATOM 0 H GLY A 4 21.288 8.132 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.532 7.198 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.335 7.691 -11.488 1.00 0.00 H new ATOM 37 N SER A 5 19.609 5.049 -11.312 1.00 0.00 N ATOM 38 CA SER A 5 20.169 3.711 -11.462 1.00 0.00 C ATOM 39 C SER A 5 19.726 3.081 -12.779 1.00 0.00 C ATOM 40 O SER A 5 18.935 3.661 -13.522 1.00 0.00 O ATOM 41 CB SER A 5 19.746 2.824 -10.290 1.00 0.00 C ATOM 42 OG SER A 5 20.457 3.162 -9.112 1.00 0.00 O ATOM 0 H SER A 5 18.745 5.205 -11.831 1.00 0.00 H new ATOM 0 HA SER A 5 21.256 3.797 -11.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.675 2.932 -10.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.924 1.778 -10.539 1.00 0.00 H new ATOM 0 HG SER A 5 20.905 4.025 -9.237 1.00 0.00 H new ATOM 48 N SER A 6 20.241 1.888 -13.060 1.00 0.00 N ATOM 49 CA SER A 6 19.902 1.179 -14.288 1.00 0.00 C ATOM 50 C SER A 6 20.403 -0.261 -14.240 1.00 0.00 C ATOM 51 O SER A 6 21.322 -0.586 -13.489 1.00 0.00 O ATOM 52 CB SER A 6 20.499 1.899 -15.499 1.00 0.00 C ATOM 53 OG SER A 6 21.910 1.777 -15.520 1.00 0.00 O ATOM 0 H SER A 6 20.895 1.392 -12.454 1.00 0.00 H new ATOM 0 HA SER A 6 18.816 1.164 -14.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.081 1.483 -16.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.222 2.953 -15.472 1.00 0.00 H new ATOM 0 HG SER A 6 22.267 2.244 -16.304 1.00 0.00 H new ATOM 59 N GLY A 7 19.792 -1.121 -15.049 1.00 0.00 N ATOM 60 CA GLY A 7 20.189 -2.517 -15.084 1.00 0.00 C ATOM 61 C GLY A 7 19.434 -3.360 -14.076 1.00 0.00 C ATOM 62 O GLY A 7 18.388 -2.950 -13.573 1.00 0.00 O ATOM 0 H GLY A 7 19.029 -0.876 -15.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.020 -2.915 -16.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.259 -2.592 -14.888 1.00 0.00 H new ATOM 66 N MET A 8 19.963 -4.543 -13.781 1.00 0.00 N ATOM 67 CA MET A 8 19.331 -5.446 -12.826 1.00 0.00 C ATOM 68 C MET A 8 18.070 -6.067 -13.418 1.00 0.00 C ATOM 69 O MET A 8 17.048 -6.183 -12.743 1.00 0.00 O ATOM 70 CB MET A 8 18.988 -4.699 -11.535 1.00 0.00 C ATOM 71 CG MET A 8 19.006 -5.583 -10.299 1.00 0.00 C ATOM 72 SD MET A 8 17.404 -6.336 -9.960 1.00 0.00 S ATOM 73 CE MET A 8 16.380 -4.880 -9.766 1.00 0.00 C ATOM 0 H MET A 8 20.827 -4.899 -14.189 1.00 0.00 H new ATOM 0 HA MET A 8 20.036 -6.245 -12.598 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.697 -3.882 -11.398 1.00 0.00 H new ATOM 0 HB3 MET A 8 18.000 -4.250 -11.636 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.752 -6.367 -10.429 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.314 -4.990 -9.438 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.568 -5.096 -9.071 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.983 -4.060 -9.375 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.964 -4.596 -10.733 1.00 0.00 H new ATOM 83 N ALA A 9 18.150 -6.466 -14.684 1.00 0.00 N ATOM 84 CA ALA A 9 17.016 -7.077 -15.365 1.00 0.00 C ATOM 85 C ALA A 9 17.108 -8.598 -15.328 1.00 0.00 C ATOM 86 O ALA A 9 18.201 -9.163 -15.284 1.00 0.00 O ATOM 87 CB ALA A 9 16.938 -6.586 -16.803 1.00 0.00 C ATOM 0 H ALA A 9 18.989 -6.377 -15.258 1.00 0.00 H new ATOM 0 HA ALA A 9 16.107 -6.782 -14.841 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.086 -7.050 -17.300 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.817 -5.503 -16.812 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.855 -6.853 -17.329 1.00 0.00 H new ATOM 93 N SER A 10 15.953 -9.257 -15.345 1.00 0.00 N ATOM 94 CA SER A 10 15.904 -10.714 -15.308 1.00 0.00 C ATOM 95 C SER A 10 15.301 -11.269 -16.595 1.00 0.00 C ATOM 96 O SER A 10 14.191 -10.904 -16.982 1.00 0.00 O ATOM 97 CB SER A 10 15.087 -11.187 -14.104 1.00 0.00 C ATOM 98 OG SER A 10 15.801 -10.992 -12.895 1.00 0.00 O ATOM 0 H SER A 10 15.039 -8.805 -15.384 1.00 0.00 H new ATOM 0 HA SER A 10 16.924 -11.086 -15.215 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.143 -10.643 -14.065 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.842 -12.243 -14.219 1.00 0.00 H new ATOM 0 HG SER A 10 15.257 -11.300 -12.140 1.00 0.00 H new ATOM 104 N SER A 11 16.042 -12.155 -17.253 1.00 0.00 N ATOM 105 CA SER A 11 15.585 -12.759 -18.499 1.00 0.00 C ATOM 106 C SER A 11 14.845 -14.066 -18.229 1.00 0.00 C ATOM 107 O SER A 11 15.389 -14.987 -17.620 1.00 0.00 O ATOM 108 CB SER A 11 16.769 -13.014 -19.433 1.00 0.00 C ATOM 109 OG SER A 11 16.344 -13.612 -20.645 1.00 0.00 O ATOM 0 H SER A 11 16.961 -12.470 -16.944 1.00 0.00 H new ATOM 0 HA SER A 11 14.897 -12.064 -18.980 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.277 -12.073 -19.647 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.493 -13.662 -18.939 1.00 0.00 H new ATOM 0 HG SER A 11 17.119 -13.763 -21.225 1.00 0.00 H new ATOM 115 N VAL A 12 13.599 -14.139 -18.687 1.00 0.00 N ATOM 116 CA VAL A 12 12.783 -15.332 -18.497 1.00 0.00 C ATOM 117 C VAL A 12 11.925 -15.613 -19.726 1.00 0.00 C ATOM 118 O VAL A 12 11.533 -14.693 -20.446 1.00 0.00 O ATOM 119 CB VAL A 12 11.868 -15.196 -17.266 1.00 0.00 C ATOM 120 CG1 VAL A 12 11.071 -16.473 -17.049 1.00 0.00 C ATOM 121 CG2 VAL A 12 12.685 -14.850 -16.030 1.00 0.00 C ATOM 0 H VAL A 12 13.133 -13.386 -19.192 1.00 0.00 H new ATOM 0 HA VAL A 12 13.470 -16.163 -18.340 1.00 0.00 H new ATOM 0 HB VAL A 12 11.164 -14.384 -17.446 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.430 -16.358 -16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.455 -16.671 -17.926 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.755 -17.306 -16.890 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.022 -14.758 -15.170 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.414 -15.638 -15.843 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.205 -13.906 -16.190 1.00 0.00 H new ATOM 131 N LEU A 13 11.636 -16.888 -19.960 1.00 0.00 N ATOM 132 CA LEU A 13 10.823 -17.291 -21.102 1.00 0.00 C ATOM 133 C LEU A 13 9.553 -17.999 -20.644 1.00 0.00 C ATOM 134 O LEU A 13 9.296 -19.141 -21.024 1.00 0.00 O ATOM 135 CB LEU A 13 11.627 -18.208 -22.027 1.00 0.00 C ATOM 136 CG LEU A 13 12.078 -19.539 -21.425 1.00 0.00 C ATOM 137 CD1 LEU A 13 12.169 -20.608 -22.503 1.00 0.00 C ATOM 138 CD2 LEU A 13 13.414 -19.378 -20.715 1.00 0.00 C ATOM 0 H LEU A 13 11.953 -17.661 -19.374 1.00 0.00 H new ATOM 0 HA LEU A 13 10.538 -16.392 -21.649 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.025 -18.417 -22.911 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.511 -17.666 -22.364 1.00 0.00 H new ATOM 0 HG LEU A 13 11.336 -19.855 -20.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.491 -21.549 -22.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.191 -20.742 -22.966 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.890 -20.300 -23.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.719 -20.335 -20.293 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.166 -19.039 -21.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.315 -18.644 -19.915 1.00 0.00 H new ATOM 150 N GLU A 14 8.761 -17.312 -19.826 1.00 0.00 N ATOM 151 CA GLU A 14 7.516 -17.876 -19.317 1.00 0.00 C ATOM 152 C GLU A 14 6.480 -18.001 -20.431 1.00 0.00 C ATOM 153 O GLU A 14 6.553 -17.303 -21.442 1.00 0.00 O ATOM 154 CB GLU A 14 6.962 -17.008 -18.185 1.00 0.00 C ATOM 155 CG GLU A 14 6.214 -17.797 -17.124 1.00 0.00 C ATOM 156 CD GLU A 14 7.134 -18.360 -16.058 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.594 -17.581 -15.198 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.393 -19.582 -16.084 1.00 0.00 O ATOM 0 H GLU A 14 8.959 -16.365 -19.502 1.00 0.00 H new ATOM 0 HA GLU A 14 7.730 -18.872 -18.930 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.785 -16.471 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.293 -16.258 -18.607 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.471 -17.153 -16.654 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.672 -18.614 -17.599 1.00 0.00 H new ATOM 165 N MET A 15 5.516 -18.894 -20.236 1.00 0.00 N ATOM 166 CA MET A 15 4.464 -19.110 -21.223 1.00 0.00 C ATOM 167 C MET A 15 3.883 -17.782 -21.698 1.00 0.00 C ATOM 168 O MET A 15 4.209 -16.724 -21.160 1.00 0.00 O ATOM 169 CB MET A 15 3.355 -19.985 -20.636 1.00 0.00 C ATOM 170 CG MET A 15 3.791 -21.414 -20.358 1.00 0.00 C ATOM 171 SD MET A 15 2.443 -22.445 -19.749 1.00 0.00 S ATOM 172 CE MET A 15 3.324 -23.953 -19.350 1.00 0.00 C ATOM 0 H MET A 15 5.441 -19.480 -19.404 1.00 0.00 H new ATOM 0 HA MET A 15 4.904 -19.621 -22.080 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.001 -19.535 -19.708 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.511 -19.999 -21.326 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.193 -21.851 -21.272 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.598 -21.408 -19.625 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.623 -24.691 -18.960 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.800 -24.345 -20.249 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.085 -23.742 -18.599 1.00 0.00 H new ATOM 182 N ILE A 16 3.022 -17.845 -22.708 1.00 0.00 N ATOM 183 CA ILE A 16 2.395 -16.647 -23.253 1.00 0.00 C ATOM 184 C ILE A 16 1.287 -16.140 -22.336 1.00 0.00 C ATOM 185 O ILE A 16 0.103 -16.360 -22.594 1.00 0.00 O ATOM 186 CB ILE A 16 1.809 -16.906 -24.653 1.00 0.00 C ATOM 187 CG1 ILE A 16 2.906 -17.382 -25.609 1.00 0.00 C ATOM 188 CG2 ILE A 16 1.142 -15.648 -25.189 1.00 0.00 C ATOM 189 CD1 ILE A 16 3.971 -16.341 -25.873 1.00 0.00 C ATOM 0 H ILE A 16 2.743 -18.713 -23.166 1.00 0.00 H new ATOM 0 HA ILE A 16 3.175 -15.889 -23.329 1.00 0.00 H new ATOM 0 HB ILE A 16 1.055 -17.689 -24.576 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.376 -18.274 -25.194 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.451 -17.672 -26.556 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.733 -15.847 -26.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.338 -15.348 -24.517 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.877 -14.846 -25.255 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.715 -16.747 -26.558 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.513 -15.457 -26.317 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.453 -16.068 -24.934 1.00 0.00 H new ATOM 201 N LYS A 17 1.679 -15.460 -21.264 1.00 0.00 N ATOM 202 CA LYS A 17 0.720 -14.918 -20.309 1.00 0.00 C ATOM 203 C LYS A 17 0.846 -13.401 -20.213 1.00 0.00 C ATOM 204 O LYS A 17 0.912 -12.843 -19.118 1.00 0.00 O ATOM 205 CB LYS A 17 0.931 -15.546 -18.930 1.00 0.00 C ATOM 206 CG LYS A 17 0.097 -16.794 -18.696 1.00 0.00 C ATOM 207 CD LYS A 17 0.615 -17.971 -19.505 1.00 0.00 C ATOM 208 CE LYS A 17 -0.298 -19.180 -19.379 1.00 0.00 C ATOM 209 NZ LYS A 17 -0.276 -20.023 -20.606 1.00 0.00 N ATOM 0 H LYS A 17 2.655 -15.271 -21.035 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.282 -15.160 -20.662 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.985 -15.796 -18.811 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.690 -14.809 -18.164 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.109 -17.047 -17.636 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.940 -16.595 -18.965 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.698 -17.685 -20.553 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.617 -18.234 -19.166 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.009 -19.779 -18.522 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.318 -18.846 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.143 -20.596 -20.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.223 -19.412 -21.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.553 -20.650 -20.581 1.00 0.00 H new ATOM 223 N GLU A 18 0.878 -12.739 -21.365 1.00 0.00 N ATOM 224 CA GLU A 18 0.995 -11.286 -21.409 1.00 0.00 C ATOM 225 C GLU A 18 -0.358 -10.623 -21.168 1.00 0.00 C ATOM 226 O GLU A 18 -0.738 -9.691 -21.876 1.00 0.00 O ATOM 227 CB GLU A 18 1.563 -10.838 -22.757 1.00 0.00 C ATOM 228 CG GLU A 18 0.727 -11.282 -23.947 1.00 0.00 C ATOM 229 CD GLU A 18 -0.333 -10.267 -24.326 1.00 0.00 C ATOM 230 OE1 GLU A 18 0.038 -9.177 -24.813 1.00 0.00 O ATOM 231 OE2 GLU A 18 -1.531 -10.561 -24.138 1.00 0.00 O ATOM 0 H GLU A 18 0.825 -13.186 -22.280 1.00 0.00 H new ATOM 0 HA GLU A 18 1.677 -10.978 -20.616 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.643 -9.751 -22.765 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.573 -11.233 -22.866 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.381 -11.455 -24.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.248 -12.233 -23.715 1.00 0.00 H new ATOM 238 N GLU A 19 -1.080 -11.112 -20.164 1.00 0.00 N ATOM 239 CA GLU A 19 -2.391 -10.568 -19.832 1.00 0.00 C ATOM 240 C GLU A 19 -2.521 -10.342 -18.328 1.00 0.00 C ATOM 241 O GLU A 19 -3.006 -9.301 -17.885 1.00 0.00 O ATOM 242 CB GLU A 19 -3.496 -11.510 -20.314 1.00 0.00 C ATOM 243 CG GLU A 19 -3.784 -11.398 -21.802 1.00 0.00 C ATOM 244 CD GLU A 19 -4.693 -12.503 -22.305 1.00 0.00 C ATOM 245 OE1 GLU A 19 -5.916 -12.421 -22.063 1.00 0.00 O ATOM 246 OE2 GLU A 19 -4.183 -13.450 -22.939 1.00 0.00 O ATOM 0 H GLU A 19 -0.779 -11.883 -19.568 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.496 -9.608 -20.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.213 -12.537 -20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.410 -11.299 -19.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.245 -10.432 -22.007 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.844 -11.427 -22.353 1.00 0.00 H new ATOM 253 N VAL A 20 -2.084 -11.326 -17.548 1.00 0.00 N ATOM 254 CA VAL A 20 -2.150 -11.236 -16.094 1.00 0.00 C ATOM 255 C VAL A 20 -0.855 -10.673 -15.519 1.00 0.00 C ATOM 256 O VAL A 20 -0.874 -9.881 -14.576 1.00 0.00 O ATOM 257 CB VAL A 20 -2.426 -12.612 -15.459 1.00 0.00 C ATOM 258 CG1 VAL A 20 -3.755 -13.168 -15.946 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.290 -13.577 -15.764 1.00 0.00 C ATOM 0 H VAL A 20 -1.680 -12.195 -17.899 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.973 -10.562 -15.855 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.486 -12.488 -14.378 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.933 -14.140 -15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.558 -12.484 -15.671 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.728 -13.278 -17.030 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.502 -14.544 -15.308 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.195 -13.698 -16.843 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.358 -13.181 -15.360 1.00 0.00 H new ATOM 269 N THR A 21 0.270 -11.087 -16.093 1.00 0.00 N ATOM 270 CA THR A 21 1.575 -10.625 -15.638 1.00 0.00 C ATOM 271 C THR A 21 1.686 -9.108 -15.735 1.00 0.00 C ATOM 272 O THR A 21 1.079 -8.485 -16.607 1.00 0.00 O ATOM 273 CB THR A 21 2.714 -11.265 -16.454 1.00 0.00 C ATOM 274 OG1 THR A 21 2.513 -12.680 -16.550 1.00 0.00 O ATOM 275 CG2 THR A 21 4.064 -10.983 -15.813 1.00 0.00 C ATOM 0 H THR A 21 0.303 -11.742 -16.874 1.00 0.00 H new ATOM 0 HA THR A 21 1.671 -10.928 -14.595 1.00 0.00 H new ATOM 0 HB THR A 21 2.705 -10.828 -17.453 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.993 -12.883 -17.356 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.852 -11.445 -16.407 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.227 -9.906 -15.768 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.081 -11.395 -14.804 1.00 0.00 H new ATOM 283 N CYS A 22 2.466 -8.517 -14.835 1.00 0.00 N ATOM 284 CA CYS A 22 2.657 -7.072 -14.819 1.00 0.00 C ATOM 285 C CYS A 22 2.980 -6.551 -16.217 1.00 0.00 C ATOM 286 O CYS A 22 3.960 -6.951 -16.844 1.00 0.00 O ATOM 287 CB CYS A 22 3.780 -6.696 -13.851 1.00 0.00 C ATOM 288 SG CYS A 22 3.689 -4.983 -13.237 1.00 0.00 S ATOM 0 H CYS A 22 2.976 -9.018 -14.107 1.00 0.00 H new ATOM 0 HA CYS A 22 1.728 -6.611 -14.484 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.756 -7.377 -13.001 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.739 -6.842 -14.349 1.00 0.00 H new ATOM 293 N PRO A 23 2.136 -5.636 -16.716 1.00 0.00 N ATOM 294 CA PRO A 23 2.310 -5.039 -18.044 1.00 0.00 C ATOM 295 C PRO A 23 3.514 -4.106 -18.106 1.00 0.00 C ATOM 296 O PRO A 23 3.759 -3.460 -19.125 1.00 0.00 O ATOM 297 CB PRO A 23 1.013 -4.254 -18.253 1.00 0.00 C ATOM 298 CG PRO A 23 0.530 -3.948 -16.878 1.00 0.00 C ATOM 299 CD PRO A 23 0.946 -5.113 -16.024 1.00 0.00 C ATOM 0 HA PRO A 23 2.495 -5.793 -18.809 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.190 -3.342 -18.823 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.281 -4.840 -18.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.965 -3.019 -16.509 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.552 -3.821 -16.864 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.178 -4.802 -15.005 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.158 -5.863 -15.957 1.00 0.00 H new ATOM 307 N ILE A 24 4.263 -4.040 -17.010 1.00 0.00 N ATOM 308 CA ILE A 24 5.443 -3.186 -16.942 1.00 0.00 C ATOM 309 C ILE A 24 6.722 -4.016 -16.919 1.00 0.00 C ATOM 310 O ILE A 24 7.507 -3.993 -17.867 1.00 0.00 O ATOM 311 CB ILE A 24 5.410 -2.279 -15.697 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.211 -1.330 -15.762 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.708 -1.495 -15.579 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.838 -0.736 -14.422 1.00 0.00 C ATOM 0 H ILE A 24 4.074 -4.567 -16.158 1.00 0.00 H new ATOM 0 HA ILE A 24 5.434 -2.563 -17.836 1.00 0.00 H new ATOM 0 HB ILE A 24 5.305 -2.906 -14.811 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.434 -0.522 -16.459 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.353 -1.869 -16.163 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.670 -0.859 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.545 -2.188 -15.492 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.841 -0.876 -16.466 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.981 -0.074 -14.543 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.583 -1.536 -13.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.681 -0.169 -14.028 1.00 0.00 H new ATOM 326 N CYS A 25 6.924 -4.751 -15.830 1.00 0.00 N ATOM 327 CA CYS A 25 8.107 -5.590 -15.682 1.00 0.00 C ATOM 328 C CYS A 25 7.905 -6.939 -16.366 1.00 0.00 C ATOM 329 O CYS A 25 8.867 -7.596 -16.765 1.00 0.00 O ATOM 330 CB CYS A 25 8.427 -5.800 -14.201 1.00 0.00 C ATOM 331 SG CYS A 25 6.994 -6.298 -13.193 1.00 0.00 S ATOM 0 H CYS A 25 6.283 -4.782 -15.037 1.00 0.00 H new ATOM 0 HA CYS A 25 8.945 -5.082 -16.159 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.202 -6.561 -14.112 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.840 -4.876 -13.795 1.00 0.00 H new ATOM 336 N LEU A 26 6.647 -7.347 -16.498 1.00 0.00 N ATOM 337 CA LEU A 26 6.318 -8.618 -17.134 1.00 0.00 C ATOM 338 C LEU A 26 6.847 -9.790 -16.314 1.00 0.00 C ATOM 339 O LEU A 26 7.482 -10.698 -16.851 1.00 0.00 O ATOM 340 CB LEU A 26 6.896 -8.668 -18.549 1.00 0.00 C ATOM 341 CG LEU A 26 6.477 -7.533 -19.485 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.418 -7.450 -20.677 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.041 -7.728 -19.950 1.00 0.00 C ATOM 0 H LEU A 26 5.839 -6.816 -16.173 1.00 0.00 H new ATOM 0 HA LEU A 26 5.232 -8.698 -17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.984 -8.669 -18.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.606 -9.614 -19.005 1.00 0.00 H new ATOM 0 HG LEU A 26 6.536 -6.594 -18.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.105 -6.637 -21.332 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.433 -7.263 -20.327 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.392 -8.390 -21.228 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.760 -6.911 -20.615 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.956 -8.675 -20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.377 -7.737 -19.086 1.00 0.00 H new ATOM 355 N GLU A 27 6.580 -9.764 -15.012 1.00 0.00 N ATOM 356 CA GLU A 27 7.029 -10.826 -14.120 1.00 0.00 C ATOM 357 C GLU A 27 6.078 -10.981 -12.937 1.00 0.00 C ATOM 358 O GLU A 27 5.309 -10.072 -12.620 1.00 0.00 O ATOM 359 CB GLU A 27 8.445 -10.535 -13.616 1.00 0.00 C ATOM 360 CG GLU A 27 8.495 -9.490 -12.513 1.00 0.00 C ATOM 361 CD GLU A 27 9.835 -9.456 -11.804 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.873 -9.522 -12.494 1.00 0.00 O ATOM 363 OE2 GLU A 27 9.845 -9.362 -10.559 1.00 0.00 O ATOM 0 H GLU A 27 6.056 -9.020 -14.552 1.00 0.00 H new ATOM 0 HA GLU A 27 7.036 -11.759 -14.683 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.888 -11.461 -13.249 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.057 -10.198 -14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.288 -8.508 -12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.709 -9.695 -11.787 1.00 0.00 H new ATOM 370 N LEU A 28 6.136 -12.138 -12.286 1.00 0.00 N ATOM 371 CA LEU A 28 5.280 -12.414 -11.138 1.00 0.00 C ATOM 372 C LEU A 28 5.000 -11.139 -10.349 1.00 0.00 C ATOM 373 O LEU A 28 5.918 -10.502 -9.831 1.00 0.00 O ATOM 374 CB LEU A 28 5.933 -13.457 -10.229 1.00 0.00 C ATOM 375 CG LEU A 28 5.714 -14.919 -10.620 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.502 -15.840 -9.702 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.233 -15.265 -10.583 1.00 0.00 C ATOM 0 H LEU A 28 6.767 -12.900 -12.534 1.00 0.00 H new ATOM 0 HA LEU A 28 4.333 -12.806 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.006 -13.266 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.558 -13.313 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 28 6.074 -15.061 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.334 -16.876 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.564 -15.609 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.173 -15.696 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.096 -16.309 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.847 -15.107 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.693 -14.627 -11.283 1.00 0.00 H new ATOM 389 N LEU A 29 3.726 -10.773 -10.259 1.00 0.00 N ATOM 390 CA LEU A 29 3.324 -9.575 -9.531 1.00 0.00 C ATOM 391 C LEU A 29 3.514 -9.761 -8.029 1.00 0.00 C ATOM 392 O LEU A 29 2.916 -10.650 -7.422 1.00 0.00 O ATOM 393 CB LEU A 29 1.863 -9.236 -9.834 1.00 0.00 C ATOM 394 CG LEU A 29 1.553 -8.828 -11.275 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.163 -9.297 -11.675 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.678 -7.320 -11.440 1.00 0.00 C ATOM 0 H LEU A 29 2.954 -11.289 -10.681 1.00 0.00 H new ATOM 0 HA LEU A 29 3.957 -8.751 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.250 -10.102 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.555 -8.425 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 29 2.278 -9.307 -11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.040 -8.998 -12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.108 -10.383 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.577 -8.847 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.454 -7.047 -12.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.976 -6.821 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.694 -7.010 -11.195 1.00 0.00 H new ATOM 408 N LYS A 30 4.348 -8.915 -7.434 1.00 0.00 N ATOM 409 CA LYS A 30 4.615 -8.983 -6.002 1.00 0.00 C ATOM 410 C LYS A 30 3.748 -7.986 -5.239 1.00 0.00 C ATOM 411 O LYS A 30 3.912 -6.775 -5.378 1.00 0.00 O ATOM 412 CB LYS A 30 6.094 -8.706 -5.725 1.00 0.00 C ATOM 413 CG LYS A 30 7.034 -9.694 -6.393 1.00 0.00 C ATOM 414 CD LYS A 30 8.392 -9.072 -6.670 1.00 0.00 C ATOM 415 CE LYS A 30 8.337 -8.121 -7.856 1.00 0.00 C ATOM 416 NZ LYS A 30 9.510 -7.204 -7.886 1.00 0.00 N ATOM 0 H LYS A 30 4.851 -8.174 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 30 4.369 -9.988 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.336 -7.699 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.263 -8.727 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.157 -10.569 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.594 -10.041 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.734 -8.534 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.121 -9.859 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.302 -8.696 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.419 -7.535 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.436 -6.572 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.530 -6.637 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.385 -7.762 -7.956 1.00 0.00 H new ATOM 430 N GLU A 31 2.827 -8.505 -4.433 1.00 0.00 N ATOM 431 CA GLU A 31 1.935 -7.660 -3.648 1.00 0.00 C ATOM 432 C GLU A 31 1.398 -6.506 -4.491 1.00 0.00 C ATOM 433 O GLU A 31 1.502 -5.335 -4.124 1.00 0.00 O ATOM 434 CB GLU A 31 2.666 -7.112 -2.421 1.00 0.00 C ATOM 435 CG GLU A 31 2.821 -8.127 -1.301 1.00 0.00 C ATOM 436 CD GLU A 31 1.529 -8.358 -0.541 1.00 0.00 C ATOM 437 OE1 GLU A 31 0.554 -8.836 -1.158 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.494 -8.062 0.672 1.00 0.00 O ATOM 0 H GLU A 31 2.679 -9.506 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 31 1.093 -8.270 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.654 -6.763 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.124 -6.246 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.167 -9.073 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.589 -7.784 -0.608 1.00 0.00 H new ATOM 445 N PRO A 32 0.811 -6.843 -5.648 1.00 0.00 N ATOM 446 CA PRO A 32 0.245 -5.851 -6.568 1.00 0.00 C ATOM 447 C PRO A 32 -1.011 -5.193 -6.008 1.00 0.00 C ATOM 448 O PRO A 32 -1.555 -5.630 -4.994 1.00 0.00 O ATOM 449 CB PRO A 32 -0.091 -6.674 -7.814 1.00 0.00 C ATOM 450 CG PRO A 32 -0.290 -8.061 -7.310 1.00 0.00 C ATOM 451 CD PRO A 32 0.652 -8.219 -6.149 1.00 0.00 C ATOM 0 HA PRO A 32 0.935 -5.029 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.989 -6.299 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.715 -6.631 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.323 -8.219 -6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.076 -8.793 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.241 -8.880 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.605 -8.646 -6.460 1.00 0.00 H new ATOM 459 N VAL A 33 -1.469 -4.138 -6.677 1.00 0.00 N ATOM 460 CA VAL A 33 -2.663 -3.420 -6.247 1.00 0.00 C ATOM 461 C VAL A 33 -3.563 -3.092 -7.433 1.00 0.00 C ATOM 462 O VAL A 33 -3.174 -2.348 -8.333 1.00 0.00 O ATOM 463 CB VAL A 33 -2.300 -2.115 -5.515 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.578 -2.417 -4.211 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.452 -1.222 -6.408 1.00 0.00 C ATOM 0 H VAL A 33 -1.031 -3.763 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.197 -4.076 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.222 -1.584 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.330 -1.483 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.224 -3.015 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.663 -2.970 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.205 -0.304 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.534 -1.744 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.009 -0.977 -7.312 1.00 0.00 H new ATOM 475 N SER A 34 -4.769 -3.651 -7.426 1.00 0.00 N ATOM 476 CA SER A 34 -5.724 -3.421 -8.504 1.00 0.00 C ATOM 477 C SER A 34 -6.191 -1.968 -8.514 1.00 0.00 C ATOM 478 O SER A 34 -6.015 -1.242 -7.536 1.00 0.00 O ATOM 479 CB SER A 34 -6.927 -4.354 -8.356 1.00 0.00 C ATOM 480 OG SER A 34 -7.525 -4.619 -9.613 1.00 0.00 O ATOM 0 H SER A 34 -5.108 -4.266 -6.686 1.00 0.00 H new ATOM 0 HA SER A 34 -5.225 -3.631 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.611 -5.290 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.661 -3.903 -7.688 1.00 0.00 H new ATOM 0 HG SER A 34 -8.290 -5.219 -9.491 1.00 0.00 H new ATOM 486 N ALA A 35 -6.788 -1.553 -9.626 1.00 0.00 N ATOM 487 CA ALA A 35 -7.283 -0.189 -9.764 1.00 0.00 C ATOM 488 C ALA A 35 -8.713 -0.175 -10.294 1.00 0.00 C ATOM 489 O ALA A 35 -9.327 -1.225 -10.480 1.00 0.00 O ATOM 490 CB ALA A 35 -6.370 0.614 -10.679 1.00 0.00 C ATOM 0 H ALA A 35 -6.941 -2.142 -10.445 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.285 0.272 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.752 1.631 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.365 0.641 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.338 0.146 -11.663 1.00 0.00 H new ATOM 496 N ASP A 36 -9.237 1.022 -10.536 1.00 0.00 N ATOM 497 CA ASP A 36 -10.595 1.173 -11.045 1.00 0.00 C ATOM 498 C ASP A 36 -10.794 0.349 -12.313 1.00 0.00 C ATOM 499 O ASP A 36 -11.876 -0.189 -12.554 1.00 0.00 O ATOM 500 CB ASP A 36 -10.896 2.646 -11.327 1.00 0.00 C ATOM 501 CG ASP A 36 -11.425 3.372 -10.106 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.427 2.904 -9.525 1.00 0.00 O ATOM 503 OD2 ASP A 36 -10.838 4.408 -9.731 1.00 0.00 O ATOM 0 H ASP A 36 -8.742 1.901 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.285 0.809 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.988 3.139 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.626 2.717 -12.133 1.00 0.00 H new ATOM 508 N CYS A 37 -9.744 0.254 -13.122 1.00 0.00 N ATOM 509 CA CYS A 37 -9.803 -0.503 -14.367 1.00 0.00 C ATOM 510 C CYS A 37 -9.372 -1.950 -14.145 1.00 0.00 C ATOM 511 O CYS A 37 -8.698 -2.543 -14.985 1.00 0.00 O ATOM 512 CB CYS A 37 -8.913 0.149 -15.427 1.00 0.00 C ATOM 513 SG CYS A 37 -7.241 0.569 -14.838 1.00 0.00 S ATOM 0 H CYS A 37 -8.842 0.692 -12.938 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.835 -0.500 -14.717 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.828 -0.525 -16.279 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.399 1.056 -15.786 1.00 0.00 H new ATOM 518 N ASN A 38 -9.768 -2.511 -13.006 1.00 0.00 N ATOM 519 CA ASN A 38 -9.423 -3.888 -12.673 1.00 0.00 C ATOM 520 C ASN A 38 -7.982 -4.198 -13.067 1.00 0.00 C ATOM 521 O ASN A 38 -7.645 -5.341 -13.379 1.00 0.00 O ATOM 522 CB ASN A 38 -10.375 -4.858 -13.374 1.00 0.00 C ATOM 523 CG ASN A 38 -11.656 -5.078 -12.591 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.743 -5.986 -11.764 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.657 -4.245 -12.851 1.00 0.00 N ATOM 0 H ASN A 38 -10.327 -2.033 -12.299 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.520 -4.010 -11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.619 -4.472 -14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.873 -5.814 -13.520 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.544 -4.343 -12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.539 -3.507 -13.545 1.00 0.00 H new ATOM 532 N HIS A 39 -7.135 -3.174 -13.049 1.00 0.00 N ATOM 533 CA HIS A 39 -5.730 -3.337 -13.404 1.00 0.00 C ATOM 534 C HIS A 39 -4.845 -3.268 -12.162 1.00 0.00 C ATOM 535 O HIS A 39 -4.921 -2.315 -11.386 1.00 0.00 O ATOM 536 CB HIS A 39 -5.307 -2.263 -14.406 1.00 0.00 C ATOM 537 CG HIS A 39 -5.887 -2.457 -15.773 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.667 -1.583 -16.816 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.683 -3.435 -16.266 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.303 -2.013 -17.891 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.927 -3.136 -17.584 1.00 0.00 N ATOM 0 H HIS A 39 -7.397 -2.222 -12.792 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.608 -4.318 -13.862 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.608 -1.286 -14.028 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.220 -2.255 -14.480 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.057 -4.291 -15.724 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.311 -1.529 -18.856 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.497 -3.691 -18.222 1.00 0.00 H new ATOM 549 N SER A 40 -4.008 -4.284 -11.981 1.00 0.00 N ATOM 550 CA SER A 40 -3.112 -4.341 -10.832 1.00 0.00 C ATOM 551 C SER A 40 -1.653 -4.316 -11.279 1.00 0.00 C ATOM 552 O SER A 40 -1.316 -4.789 -12.364 1.00 0.00 O ATOM 553 CB SER A 40 -3.384 -5.601 -10.009 1.00 0.00 C ATOM 554 OG SER A 40 -3.376 -6.757 -10.828 1.00 0.00 O ATOM 0 H SER A 40 -3.931 -5.079 -12.615 1.00 0.00 H new ATOM 0 HA SER A 40 -3.299 -3.464 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.629 -5.699 -9.229 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.349 -5.512 -9.510 1.00 0.00 H new ATOM 0 HG SER A 40 -3.551 -7.549 -10.278 1.00 0.00 H new ATOM 560 N PHE A 41 -0.791 -3.761 -10.433 1.00 0.00 N ATOM 561 CA PHE A 41 0.632 -3.673 -10.739 1.00 0.00 C ATOM 562 C PHE A 41 1.469 -3.775 -9.468 1.00 0.00 C ATOM 563 O PHE A 41 1.046 -3.343 -8.395 1.00 0.00 O ATOM 564 CB PHE A 41 0.939 -2.359 -11.462 1.00 0.00 C ATOM 565 CG PHE A 41 -0.125 -1.950 -12.440 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.193 -1.165 -12.034 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.058 -2.350 -13.765 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.173 -0.787 -12.932 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.035 -1.974 -14.667 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.095 -1.192 -14.249 1.00 0.00 C ATOM 0 H PHE A 41 -1.053 -3.365 -9.530 1.00 0.00 H new ATOM 0 HA PHE A 41 0.891 -4.508 -11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.065 -1.568 -10.723 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.888 -2.457 -11.989 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.260 -0.845 -11.005 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.767 -2.963 -14.097 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.000 -0.175 -12.603 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.970 -2.291 -15.697 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.861 -0.898 -14.952 1.00 0.00 H new ATOM 580 N CYS A 42 2.660 -4.350 -9.596 1.00 0.00 N ATOM 581 CA CYS A 42 3.558 -4.511 -8.459 1.00 0.00 C ATOM 582 C CYS A 42 3.533 -3.274 -7.566 1.00 0.00 C ATOM 583 O CYS A 42 3.700 -2.150 -8.041 1.00 0.00 O ATOM 584 CB CYS A 42 4.985 -4.776 -8.943 1.00 0.00 C ATOM 585 SG CYS A 42 5.116 -6.111 -10.175 1.00 0.00 S ATOM 0 H CYS A 42 3.026 -4.712 -10.476 1.00 0.00 H new ATOM 0 HA CYS A 42 3.215 -5.365 -7.875 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.388 -3.859 -9.373 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.608 -5.026 -8.084 1.00 0.00 H new ATOM 590 N ARG A 43 3.324 -3.489 -6.272 1.00 0.00 N ATOM 591 CA ARG A 43 3.276 -2.391 -5.313 1.00 0.00 C ATOM 592 C ARG A 43 4.261 -1.291 -5.697 1.00 0.00 C ATOM 593 O ARG A 43 3.940 -0.105 -5.627 1.00 0.00 O ATOM 594 CB ARG A 43 3.589 -2.902 -3.905 1.00 0.00 C ATOM 595 CG ARG A 43 3.496 -1.828 -2.833 1.00 0.00 C ATOM 596 CD ARG A 43 2.062 -1.628 -2.369 1.00 0.00 C ATOM 597 NE ARG A 43 1.867 -0.323 -1.743 1.00 0.00 N ATOM 598 CZ ARG A 43 2.270 -0.030 -0.512 1.00 0.00 C ATOM 599 NH1 ARG A 43 2.888 -0.946 0.222 1.00 0.00 N ATOM 600 NH2 ARG A 43 2.056 1.180 -0.012 1.00 0.00 N ATOM 0 H ARG A 43 3.185 -4.413 -5.863 1.00 0.00 H new ATOM 0 HA ARG A 43 2.269 -1.974 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.900 -3.710 -3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.593 -3.326 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.119 -2.106 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.888 -0.888 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.388 -1.726 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.797 -2.413 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 43 1.395 0.404 -2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.054 -1.877 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.197 -0.719 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.581 1.887 -0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.366 1.403 0.934 1.00 0.00 H new ATOM 614 N ALA A 44 5.461 -1.693 -6.102 1.00 0.00 N ATOM 615 CA ALA A 44 6.492 -0.741 -6.499 1.00 0.00 C ATOM 616 C ALA A 44 6.199 -0.157 -7.876 1.00 0.00 C ATOM 617 O ALA A 44 6.066 1.058 -8.031 1.00 0.00 O ATOM 618 CB ALA A 44 7.859 -1.409 -6.486 1.00 0.00 C ATOM 0 H ALA A 44 5.744 -2.671 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 44 6.493 0.078 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.619 -0.687 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.077 -1.772 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.861 -2.247 -7.183 1.00 0.00 H new ATOM 624 N CYS A 45 6.099 -1.028 -8.875 1.00 0.00 N ATOM 625 CA CYS A 45 5.823 -0.599 -10.240 1.00 0.00 C ATOM 626 C CYS A 45 4.786 0.521 -10.259 1.00 0.00 C ATOM 627 O CYS A 45 5.082 1.648 -10.659 1.00 0.00 O ATOM 628 CB CYS A 45 5.330 -1.780 -11.078 1.00 0.00 C ATOM 629 SG CYS A 45 6.656 -2.886 -11.656 1.00 0.00 S ATOM 0 H CYS A 45 6.205 -2.036 -8.764 1.00 0.00 H new ATOM 0 HA CYS A 45 6.750 -0.219 -10.670 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.620 -2.359 -10.488 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.788 -1.397 -11.943 1.00 0.00 H new ATOM 634 N ILE A 46 3.572 0.202 -9.824 1.00 0.00 N ATOM 635 CA ILE A 46 2.492 1.181 -9.790 1.00 0.00 C ATOM 636 C ILE A 46 2.970 2.507 -9.207 1.00 0.00 C ATOM 637 O ILE A 46 2.602 3.579 -9.688 1.00 0.00 O ATOM 638 CB ILE A 46 1.296 0.672 -8.964 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.012 1.385 -9.391 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.553 0.877 -7.478 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.219 2.695 -8.672 1.00 0.00 C ATOM 0 H ILE A 46 3.311 -0.726 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 46 2.172 1.334 -10.821 1.00 0.00 H new ATOM 0 HB ILE A 46 1.175 -0.395 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.049 1.571 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.837 0.726 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.699 0.512 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.447 0.327 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.697 1.938 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.147 3.145 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.288 2.514 -7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.612 3.372 -8.873 1.00 0.00 H new ATOM 653 N THR A 47 3.796 2.427 -8.168 1.00 0.00 N ATOM 654 CA THR A 47 4.326 3.620 -7.520 1.00 0.00 C ATOM 655 C THR A 47 5.348 4.320 -8.407 1.00 0.00 C ATOM 656 O THR A 47 5.112 5.429 -8.889 1.00 0.00 O ATOM 657 CB THR A 47 4.982 3.280 -6.168 1.00 0.00 C ATOM 658 OG1 THR A 47 4.039 2.621 -5.317 1.00 0.00 O ATOM 659 CG2 THR A 47 5.497 4.538 -5.485 1.00 0.00 C ATOM 0 H THR A 47 4.112 1.548 -7.758 1.00 0.00 H new ATOM 0 HA THR A 47 3.482 4.288 -7.348 1.00 0.00 H new ATOM 0 HB THR A 47 5.826 2.616 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.162 1.651 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.956 4.273 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.237 5.021 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.667 5.223 -5.310 1.00 0.00 H new ATOM 667 N LEU A 48 6.485 3.666 -8.621 1.00 0.00 N ATOM 668 CA LEU A 48 7.545 4.226 -9.452 1.00 0.00 C ATOM 669 C LEU A 48 6.979 4.782 -10.755 1.00 0.00 C ATOM 670 O LEU A 48 7.195 5.945 -11.091 1.00 0.00 O ATOM 671 CB LEU A 48 8.599 3.160 -9.755 1.00 0.00 C ATOM 672 CG LEU A 48 9.536 3.456 -10.926 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.443 4.633 -10.601 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.362 2.226 -11.274 1.00 0.00 C ATOM 0 H LEU A 48 6.696 2.748 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 48 8.011 5.043 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.204 3.011 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.087 2.218 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 48 8.929 3.719 -11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.103 4.828 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.836 5.516 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.041 4.399 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.023 2.456 -12.110 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.958 1.932 -10.410 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.697 1.408 -11.552 1.00 0.00 H new ATOM 686 N ASN A 49 6.250 3.942 -11.484 1.00 0.00 N ATOM 687 CA ASN A 49 5.651 4.350 -12.749 1.00 0.00 C ATOM 688 C ASN A 49 4.896 5.666 -12.594 1.00 0.00 C ATOM 689 O ASN A 49 5.101 6.606 -13.363 1.00 0.00 O ATOM 690 CB ASN A 49 4.705 3.263 -13.263 1.00 0.00 C ATOM 691 CG ASN A 49 4.647 3.215 -14.778 1.00 0.00 C ATOM 692 OD1 ASN A 49 5.655 2.971 -15.441 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.463 3.450 -15.332 1.00 0.00 N ATOM 0 H ASN A 49 6.060 2.975 -11.220 1.00 0.00 H new ATOM 0 HA ASN A 49 6.453 4.496 -13.472 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.029 2.294 -12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.704 3.440 -12.869 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.362 3.432 -16.347 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.654 3.648 -14.743 1.00 0.00 H new ATOM 700 N TYR A 50 4.022 5.726 -11.595 1.00 0.00 N ATOM 701 CA TYR A 50 3.235 6.927 -11.340 1.00 0.00 C ATOM 702 C TYR A 50 4.123 8.166 -11.315 1.00 0.00 C ATOM 703 O TYR A 50 3.930 9.097 -12.097 1.00 0.00 O ATOM 704 CB TYR A 50 2.484 6.797 -10.013 1.00 0.00 C ATOM 705 CG TYR A 50 2.212 8.123 -9.340 1.00 0.00 C ATOM 706 CD1 TYR A 50 1.572 9.152 -10.020 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.594 8.346 -8.022 1.00 0.00 C ATOM 708 CE1 TYR A 50 1.322 10.365 -9.408 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.347 9.556 -7.403 1.00 0.00 C ATOM 710 CZ TYR A 50 1.711 10.562 -8.100 1.00 0.00 C ATOM 711 OH TYR A 50 1.462 11.769 -7.487 1.00 0.00 O ATOM 0 H TYR A 50 3.841 4.958 -10.949 1.00 0.00 H new ATOM 0 HA TYR A 50 2.514 7.036 -12.150 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.537 6.287 -10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.063 6.168 -9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.265 9.001 -11.044 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.092 7.560 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.824 11.155 -9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.650 9.713 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 50 1.798 11.744 -6.567 1.00 0.00 H new ATOM 721 N GLU A 51 5.099 8.170 -10.412 1.00 0.00 N ATOM 722 CA GLU A 51 6.018 9.295 -10.285 1.00 0.00 C ATOM 723 C GLU A 51 6.506 9.756 -11.656 1.00 0.00 C ATOM 724 O GLU A 51 6.549 10.953 -11.940 1.00 0.00 O ATOM 725 CB GLU A 51 7.212 8.910 -9.410 1.00 0.00 C ATOM 726 CG GLU A 51 6.825 8.493 -8.001 1.00 0.00 C ATOM 727 CD GLU A 51 7.845 7.569 -7.365 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.019 7.600 -7.790 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.470 6.816 -6.442 1.00 0.00 O ATOM 0 H GLU A 51 5.273 7.407 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 51 5.481 10.118 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.752 8.092 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.898 9.755 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.710 9.382 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.856 7.995 -8.027 1.00 0.00 H new ATOM 736 N SER A 52 6.872 8.797 -12.501 1.00 0.00 N ATOM 737 CA SER A 52 7.361 9.104 -13.840 1.00 0.00 C ATOM 738 C SER A 52 6.279 9.789 -14.669 1.00 0.00 C ATOM 739 O SER A 52 6.535 10.789 -15.339 1.00 0.00 O ATOM 740 CB SER A 52 7.826 7.827 -14.541 1.00 0.00 C ATOM 741 OG SER A 52 8.520 8.127 -15.740 1.00 0.00 O ATOM 0 H SER A 52 6.839 7.801 -12.282 1.00 0.00 H new ATOM 0 HA SER A 52 8.207 9.785 -13.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.474 7.258 -13.875 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.965 7.196 -14.763 1.00 0.00 H new ATOM 0 HG SER A 52 8.808 7.294 -16.168 1.00 0.00 H new ATOM 747 N ASN A 53 5.069 9.242 -14.619 1.00 0.00 N ATOM 748 CA ASN A 53 3.947 9.798 -15.366 1.00 0.00 C ATOM 749 C ASN A 53 2.873 10.329 -14.421 1.00 0.00 C ATOM 750 O ASN A 53 2.165 9.557 -13.774 1.00 0.00 O ATOM 751 CB ASN A 53 3.348 8.738 -16.292 1.00 0.00 C ATOM 752 CG ASN A 53 4.411 7.931 -17.011 1.00 0.00 C ATOM 753 OD1 ASN A 53 5.223 8.478 -17.758 1.00 0.00 O ATOM 754 ND2 ASN A 53 4.411 6.622 -16.788 1.00 0.00 N ATOM 0 H ASN A 53 4.840 8.414 -14.069 1.00 0.00 H new ATOM 0 HA ASN A 53 4.319 10.628 -15.967 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.717 8.066 -15.710 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.705 9.223 -17.027 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.103 6.027 -17.244 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.719 6.211 -16.161 1.00 0.00 H new ATOM 761 N ARG A 54 2.759 11.651 -14.347 1.00 0.00 N ATOM 762 CA ARG A 54 1.772 12.285 -13.480 1.00 0.00 C ATOM 763 C ARG A 54 1.448 13.694 -13.967 1.00 0.00 C ATOM 764 O ARG A 54 2.135 14.237 -14.831 1.00 0.00 O ATOM 765 CB ARG A 54 2.285 12.336 -12.040 1.00 0.00 C ATOM 766 CG ARG A 54 3.382 13.365 -11.821 1.00 0.00 C ATOM 767 CD ARG A 54 3.349 13.921 -10.406 1.00 0.00 C ATOM 768 NE ARG A 54 4.195 13.153 -9.496 1.00 0.00 N ATOM 769 CZ ARG A 54 5.522 13.201 -9.509 1.00 0.00 C ATOM 770 NH1 ARG A 54 6.152 13.977 -10.380 1.00 0.00 N ATOM 771 NH2 ARG A 54 6.222 12.472 -8.649 1.00 0.00 N ATOM 0 H ARG A 54 3.337 12.304 -14.876 1.00 0.00 H new ATOM 0 HA ARG A 54 0.860 11.689 -13.512 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.451 12.559 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.661 11.351 -11.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.354 12.909 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.267 14.180 -12.536 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.678 14.960 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.323 13.916 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 54 3.741 12.546 -8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.617 14.539 -11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.171 14.012 -10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.741 11.874 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.241 12.510 -8.660 1.00 0.00 H new ATOM 785 N ASN A 55 0.396 14.281 -13.405 1.00 0.00 N ATOM 786 CA ASN A 55 -0.021 15.627 -13.782 1.00 0.00 C ATOM 787 C ASN A 55 0.332 16.632 -12.689 1.00 0.00 C ATOM 788 O ASN A 55 -0.459 17.519 -12.366 1.00 0.00 O ATOM 789 CB ASN A 55 -1.526 15.660 -14.054 1.00 0.00 C ATOM 790 CG ASN A 55 -2.285 14.636 -13.231 1.00 0.00 C ATOM 791 OD1 ASN A 55 -1.958 14.392 -12.070 1.00 0.00 O ATOM 792 ND2 ASN A 55 -3.304 14.033 -13.832 1.00 0.00 N ATOM 0 H ASN A 55 -0.183 13.846 -12.687 1.00 0.00 H new ATOM 0 HA ASN A 55 0.512 15.904 -14.692 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.910 16.656 -13.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.705 15.476 -15.113 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.852 13.335 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.539 14.268 -14.797 1.00 0.00 H new ATOM 799 N THR A 56 1.526 16.487 -12.123 1.00 0.00 N ATOM 800 CA THR A 56 1.984 17.380 -11.066 1.00 0.00 C ATOM 801 C THR A 56 0.848 17.732 -10.112 1.00 0.00 C ATOM 802 O THR A 56 0.866 18.782 -9.471 1.00 0.00 O ATOM 803 CB THR A 56 2.573 18.680 -11.646 1.00 0.00 C ATOM 804 OG1 THR A 56 1.529 19.484 -12.206 1.00 0.00 O ATOM 805 CG2 THR A 56 3.613 18.374 -12.714 1.00 0.00 C ATOM 0 H THR A 56 2.193 15.759 -12.379 1.00 0.00 H new ATOM 0 HA THR A 56 2.763 16.849 -10.519 1.00 0.00 H new ATOM 0 HB THR A 56 3.057 19.226 -10.836 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.709 18.952 -12.276 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.015 19.307 -13.109 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.421 17.787 -12.277 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.149 17.808 -13.522 1.00 0.00 H new ATOM 813 N ASP A 57 -0.138 16.847 -10.023 1.00 0.00 N ATOM 814 CA ASP A 57 -1.283 17.063 -9.146 1.00 0.00 C ATOM 815 C ASP A 57 -1.449 15.900 -8.173 1.00 0.00 C ATOM 816 O ASP A 57 -1.619 16.101 -6.971 1.00 0.00 O ATOM 817 CB ASP A 57 -2.559 17.241 -9.970 1.00 0.00 C ATOM 818 CG ASP A 57 -2.808 18.689 -10.345 1.00 0.00 C ATOM 819 OD1 ASP A 57 -2.251 19.580 -9.672 1.00 0.00 O ATOM 820 OD2 ASP A 57 -3.561 18.930 -11.312 1.00 0.00 O ATOM 0 H ASP A 57 -0.168 15.973 -10.548 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.102 17.971 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.489 16.641 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.410 16.864 -9.403 1.00 0.00 H new ATOM 825 N GLY A 58 -1.400 14.681 -8.702 1.00 0.00 N ATOM 826 CA GLY A 58 -1.549 13.503 -7.867 1.00 0.00 C ATOM 827 C GLY A 58 -2.064 12.305 -8.640 1.00 0.00 C ATOM 828 O GLY A 58 -1.653 11.172 -8.390 1.00 0.00 O ATOM 0 H GLY A 58 -1.260 14.488 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.587 13.256 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.234 13.726 -7.049 1.00 0.00 H new ATOM 832 N LYS A 59 -2.967 12.555 -9.582 1.00 0.00 N ATOM 833 CA LYS A 59 -3.541 11.489 -10.395 1.00 0.00 C ATOM 834 C LYS A 59 -2.538 10.997 -11.434 1.00 0.00 C ATOM 835 O LYS A 59 -1.807 11.789 -12.028 1.00 0.00 O ATOM 836 CB LYS A 59 -4.813 11.978 -11.090 1.00 0.00 C ATOM 837 CG LYS A 59 -5.949 12.289 -10.131 1.00 0.00 C ATOM 838 CD LYS A 59 -7.284 12.360 -10.853 1.00 0.00 C ATOM 839 CE LYS A 59 -7.953 10.996 -10.925 1.00 0.00 C ATOM 840 NZ LYS A 59 -9.438 11.105 -10.935 1.00 0.00 N ATOM 0 H LYS A 59 -3.317 13.487 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.792 10.658 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.581 12.873 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.144 11.219 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.993 11.523 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.754 13.237 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.940 13.061 -10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.133 12.746 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.621 10.476 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.639 10.392 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.856 10.154 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.757 11.578 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.740 11.659 -11.762 1.00 0.00 H new ATOM 854 N GLY A 60 -2.510 9.686 -11.649 1.00 0.00 N ATOM 855 CA GLY A 60 -1.594 9.112 -12.617 1.00 0.00 C ATOM 856 C GLY A 60 -2.306 8.289 -13.673 1.00 0.00 C ATOM 857 O GLY A 60 -3.305 7.631 -13.386 1.00 0.00 O ATOM 0 H GLY A 60 -3.106 9.011 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.034 9.912 -13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.869 8.484 -12.099 1.00 0.00 H new ATOM 861 N ASN A 61 -1.792 8.328 -14.898 1.00 0.00 N ATOM 862 CA ASN A 61 -2.388 7.583 -16.000 1.00 0.00 C ATOM 863 C ASN A 61 -2.014 6.106 -15.923 1.00 0.00 C ATOM 864 O ASN A 61 -0.924 5.753 -15.472 1.00 0.00 O ATOM 865 CB ASN A 61 -1.935 8.165 -17.341 1.00 0.00 C ATOM 866 CG ASN A 61 -2.584 9.504 -17.638 1.00 0.00 C ATOM 867 OD1 ASN A 61 -3.784 9.683 -17.432 1.00 0.00 O ATOM 868 ND2 ASN A 61 -1.790 10.450 -18.125 1.00 0.00 N ATOM 0 H ASN A 61 -0.964 8.867 -15.152 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.472 7.671 -15.920 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.851 8.283 -17.336 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.176 7.463 -18.139 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.169 11.371 -18.345 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.801 10.256 -18.279 1.00 0.00 H new ATOM 875 N CYS A 62 -2.924 5.246 -16.367 1.00 0.00 N ATOM 876 CA CYS A 62 -2.691 3.807 -16.349 1.00 0.00 C ATOM 877 C CYS A 62 -1.795 3.386 -17.510 1.00 0.00 C ATOM 878 O CYS A 62 -2.026 3.742 -18.666 1.00 0.00 O ATOM 879 CB CYS A 62 -4.021 3.053 -16.417 1.00 0.00 C ATOM 880 SG CYS A 62 -3.921 1.318 -15.871 1.00 0.00 S ATOM 0 H CYS A 62 -3.831 5.521 -16.744 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.187 3.558 -15.415 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.754 3.575 -15.802 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.389 3.079 -17.443 1.00 0.00 H new ATOM 885 N PRO A 63 -0.747 2.610 -17.197 1.00 0.00 N ATOM 886 CA PRO A 63 0.205 2.123 -18.200 1.00 0.00 C ATOM 887 C PRO A 63 -0.413 1.083 -19.129 1.00 0.00 C ATOM 888 O PRO A 63 0.274 0.497 -19.966 1.00 0.00 O ATOM 889 CB PRO A 63 1.317 1.494 -17.358 1.00 0.00 C ATOM 890 CG PRO A 63 0.654 1.113 -16.079 1.00 0.00 C ATOM 891 CD PRO A 63 -0.411 2.147 -15.840 1.00 0.00 C ATOM 0 HA PRO A 63 0.549 2.922 -18.857 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.747 0.625 -17.856 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.131 2.198 -17.187 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.221 0.115 -16.146 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.371 1.095 -15.258 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.278 1.722 -15.334 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.046 2.963 -15.216 1.00 0.00 H new ATOM 899 N VAL A 64 -1.715 0.859 -18.977 1.00 0.00 N ATOM 900 CA VAL A 64 -2.426 -0.109 -19.803 1.00 0.00 C ATOM 901 C VAL A 64 -3.540 0.561 -20.598 1.00 0.00 C ATOM 902 O VAL A 64 -3.626 0.409 -21.817 1.00 0.00 O ATOM 903 CB VAL A 64 -3.028 -1.241 -18.949 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.751 -2.248 -19.830 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.944 -1.921 -18.126 1.00 0.00 C ATOM 0 H VAL A 64 -2.298 1.335 -18.289 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.696 -0.534 -20.493 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.755 -0.808 -18.262 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.170 -3.040 -19.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.555 -1.748 -20.371 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.048 -2.679 -20.543 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.387 -2.718 -17.529 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.192 -2.342 -18.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.476 -1.190 -17.466 1.00 0.00 H new ATOM 915 N CYS A 65 -4.393 1.303 -19.901 1.00 0.00 N ATOM 916 CA CYS A 65 -5.504 1.998 -20.541 1.00 0.00 C ATOM 917 C CYS A 65 -5.449 3.495 -20.251 1.00 0.00 C ATOM 918 O CYS A 65 -6.445 4.204 -20.399 1.00 0.00 O ATOM 919 CB CYS A 65 -6.838 1.423 -20.059 1.00 0.00 C ATOM 920 SG CYS A 65 -7.086 1.530 -18.258 1.00 0.00 S ATOM 0 H CYS A 65 -4.336 1.439 -18.892 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.420 1.851 -21.618 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.651 1.950 -20.559 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.902 0.378 -20.362 1.00 0.00 H new ATOM 925 N ARG A 66 -4.278 3.969 -19.838 1.00 0.00 N ATOM 926 CA ARG A 66 -4.093 5.382 -19.527 1.00 0.00 C ATOM 927 C ARG A 66 -5.378 5.989 -18.972 1.00 0.00 C ATOM 928 O ARG A 66 -5.880 6.986 -19.491 1.00 0.00 O ATOM 929 CB ARG A 66 -3.652 6.147 -20.775 1.00 0.00 C ATOM 930 CG ARG A 66 -2.301 5.706 -21.315 1.00 0.00 C ATOM 931 CD ARG A 66 -1.163 6.186 -20.427 1.00 0.00 C ATOM 932 NE ARG A 66 0.115 5.590 -20.806 1.00 0.00 N ATOM 933 CZ ARG A 66 1.242 5.772 -20.125 1.00 0.00 C ATOM 934 NH1 ARG A 66 1.247 6.529 -19.037 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.365 5.196 -20.533 1.00 0.00 N ATOM 0 H ARG A 66 -3.444 3.396 -19.711 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.316 5.462 -18.767 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.404 6.019 -21.554 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.611 7.211 -20.543 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.274 4.619 -21.387 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.166 6.096 -22.324 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.089 7.272 -20.488 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.384 5.939 -19.389 1.00 0.00 H new ATOM 0 HE ARG A 66 0.145 5.002 -21.639 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.385 6.973 -18.721 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.113 6.667 -18.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.364 4.613 -21.370 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.229 5.336 -20.010 1.00 0.00 H new ATOM 949 N VAL A 67 -5.906 5.381 -17.914 1.00 0.00 N ATOM 950 CA VAL A 67 -7.131 5.862 -17.289 1.00 0.00 C ATOM 951 C VAL A 67 -6.826 6.678 -16.038 1.00 0.00 C ATOM 952 O VAL A 67 -6.000 6.301 -15.206 1.00 0.00 O ATOM 953 CB VAL A 67 -8.064 4.695 -16.912 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.391 3.778 -15.903 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.384 5.223 -16.369 1.00 0.00 C ATOM 0 H VAL A 67 -5.504 4.554 -17.472 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.631 6.497 -18.020 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.273 4.115 -17.811 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.065 2.960 -15.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.475 3.373 -16.334 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.150 4.343 -15.002 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.031 4.386 -16.108 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.197 5.827 -15.482 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.871 5.835 -17.128 1.00 0.00 H new ATOM 965 N PRO A 68 -7.508 7.825 -15.898 1.00 0.00 N ATOM 966 CA PRO A 68 -7.328 8.718 -14.751 1.00 0.00 C ATOM 967 C PRO A 68 -7.876 8.121 -13.459 1.00 0.00 C ATOM 968 O PRO A 68 -9.090 8.055 -13.260 1.00 0.00 O ATOM 969 CB PRO A 68 -8.125 9.965 -15.143 1.00 0.00 C ATOM 970 CG PRO A 68 -9.152 9.472 -16.103 1.00 0.00 C ATOM 971 CD PRO A 68 -8.508 8.336 -16.850 1.00 0.00 C ATOM 0 HA PRO A 68 -6.275 8.914 -14.549 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.588 10.429 -14.272 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.483 10.717 -15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.047 9.137 -15.579 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.460 10.264 -16.786 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.234 7.569 -17.120 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.044 8.676 -17.776 1.00 0.00 H new ATOM 979 N TYR A 69 -6.975 7.689 -12.584 1.00 0.00 N ATOM 980 CA TYR A 69 -7.369 7.095 -11.312 1.00 0.00 C ATOM 981 C TYR A 69 -6.763 7.862 -10.141 1.00 0.00 C ATOM 982 O TYR A 69 -5.585 8.223 -10.145 1.00 0.00 O ATOM 983 CB TYR A 69 -6.937 5.629 -11.254 1.00 0.00 C ATOM 984 CG TYR A 69 -5.437 5.440 -11.246 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.721 5.464 -10.055 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.736 5.238 -12.428 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.350 5.292 -10.043 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.365 5.064 -12.425 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.677 5.092 -11.230 1.00 0.00 C ATOM 990 OH TYR A 69 -1.312 4.921 -11.223 1.00 0.00 O ATOM 0 H TYR A 69 -5.967 7.739 -12.732 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.455 7.150 -11.236 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.357 5.170 -10.359 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.357 5.101 -12.110 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.245 5.620 -9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.272 5.217 -13.366 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.808 5.314 -9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.835 4.907 -13.353 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.994 4.791 -12.141 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.585 8.119 -9.113 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.153 8.845 -7.915 1.00 0.00 C ATOM 1002 C PRO A 70 -6.182 8.033 -7.064 1.00 0.00 C ATOM 1003 O PRO A 70 -6.594 7.300 -6.164 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.459 9.084 -7.155 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.367 7.994 -7.609 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.000 7.719 -9.041 1.00 0.00 C ATOM 0 HA PRO A 70 -6.616 9.760 -8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.302 9.045 -6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.875 10.066 -7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.242 7.101 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.411 8.295 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.134 6.668 -9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.616 8.295 -9.732 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.893 8.168 -7.354 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.863 7.446 -6.615 1.00 0.00 C ATOM 1016 C PHE A 71 -4.255 7.290 -5.148 1.00 0.00 C ATOM 1017 O PHE A 71 -4.545 8.271 -4.464 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.523 8.176 -6.721 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.386 7.440 -6.071 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.987 6.200 -6.542 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.718 7.988 -4.988 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.059 5.520 -5.946 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.329 7.313 -4.388 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.717 6.077 -4.867 1.00 0.00 C ATOM 0 H PHE A 71 -4.536 8.771 -8.095 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.764 6.453 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.288 8.336 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.617 9.160 -6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.499 5.759 -7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.018 8.953 -4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.361 4.554 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.843 7.752 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.533 5.547 -4.399 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.262 6.048 -4.673 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.621 5.785 -3.291 1.00 0.00 C ATOM 1036 C GLY A 72 -5.754 4.786 -3.166 1.00 0.00 C ATOM 1037 O GLY A 72 -5.744 3.935 -2.278 1.00 0.00 O ATOM 0 H GLY A 72 -4.026 5.220 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.748 5.408 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.910 6.719 -2.810 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.734 4.891 -4.058 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.881 3.990 -4.042 1.00 0.00 C ATOM 1043 C ASN A 73 -7.532 2.653 -4.690 1.00 0.00 C ATOM 1044 O ASN A 73 -8.298 2.123 -5.495 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.066 4.628 -4.770 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.706 5.743 -3.965 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -9.061 6.741 -3.645 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.982 5.577 -3.635 1.00 0.00 N ATOM 0 H ASN A 73 -6.757 5.590 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.155 3.809 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.730 5.022 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.812 3.863 -4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.466 6.294 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.477 4.733 -3.922 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.372 2.114 -4.331 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.921 0.838 -4.876 1.00 0.00 C ATOM 1057 C LEU A 74 -6.106 -0.284 -3.860 1.00 0.00 C ATOM 1058 O LEU A 74 -5.748 -0.143 -2.690 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.451 0.929 -5.291 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.066 2.145 -6.134 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.586 2.458 -5.974 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.408 1.910 -7.597 1.00 0.00 C ATOM 0 H LEU A 74 -5.727 2.540 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.526 0.612 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.839 0.929 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.196 0.029 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.638 3.003 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.330 3.326 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.370 2.671 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.996 1.601 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.127 2.786 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.863 1.040 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.479 1.736 -7.697 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.666 -1.400 -4.314 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.896 -2.549 -3.447 1.00 0.00 C ATOM 1076 C LYS A 75 -5.763 -3.563 -3.576 1.00 0.00 C ATOM 1077 O LYS A 75 -5.225 -3.794 -4.658 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.231 -3.214 -3.790 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.300 -3.742 -5.212 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.719 -3.696 -5.756 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.058 -2.322 -6.314 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.521 -2.159 -6.534 1.00 0.00 N ATOM 0 H LYS A 75 -6.969 -1.533 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.928 -2.195 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.406 -4.037 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.035 -2.494 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.645 -3.152 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.932 -4.768 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.834 -4.446 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.422 -3.952 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.706 -1.554 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.530 -2.172 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.711 -1.210 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.852 -2.876 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.023 -2.277 -5.631 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.393 -4.185 -2.446 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.323 -5.186 -2.407 1.00 0.00 C ATOM 1098 C PRO A 76 -4.716 -6.482 -3.108 1.00 0.00 C ATOM 1099 O PRO A 76 -5.637 -7.175 -2.679 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.118 -5.428 -0.910 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.424 -5.074 -0.286 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.991 -3.959 -1.120 1.00 0.00 C ATOM 0 HA PRO A 76 -3.426 -4.844 -2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.852 -6.466 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.311 -4.810 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.096 -5.932 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.290 -4.758 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.080 -4.000 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.722 -2.981 -0.720 1.00 0.00 H new ATOM 1110 N ASN A 77 -4.010 -6.804 -4.187 1.00 0.00 N ATOM 1111 CA ASN A 77 -4.286 -8.017 -4.947 1.00 0.00 C ATOM 1112 C ASN A 77 -3.264 -9.104 -4.626 1.00 0.00 C ATOM 1113 O ASN A 77 -2.170 -9.129 -5.191 1.00 0.00 O ATOM 1114 CB ASN A 77 -4.275 -7.718 -6.447 1.00 0.00 C ATOM 1115 CG ASN A 77 -4.770 -8.889 -7.274 1.00 0.00 C ATOM 1116 OD1 ASN A 77 -4.281 -10.011 -7.137 1.00 0.00 O ATOM 1117 ND2 ASN A 77 -5.745 -8.633 -8.139 1.00 0.00 N ATOM 0 H ASN A 77 -3.243 -6.242 -4.555 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.275 -8.377 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.899 -6.847 -6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.262 -7.461 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.118 -9.381 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.120 -7.688 -8.219 1.00 0.00 H new ATOM 1124 N LEU A 78 -3.629 -10.001 -3.716 1.00 0.00 N ATOM 1125 CA LEU A 78 -2.744 -11.091 -3.320 1.00 0.00 C ATOM 1126 C LEU A 78 -3.315 -12.439 -3.750 1.00 0.00 C ATOM 1127 O LEU A 78 -2.571 -13.372 -4.052 1.00 0.00 O ATOM 1128 CB LEU A 78 -2.530 -11.075 -1.805 1.00 0.00 C ATOM 1129 CG LEU A 78 -3.794 -10.997 -0.949 1.00 0.00 C ATOM 1130 CD1 LEU A 78 -3.536 -11.565 0.438 1.00 0.00 C ATOM 1131 CD2 LEU A 78 -4.287 -9.560 -0.856 1.00 0.00 C ATOM 0 H LEU A 78 -4.531 -9.995 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.785 -10.948 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.982 -11.975 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.894 -10.225 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.570 -11.596 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.447 -11.501 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.231 -12.608 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.745 -10.994 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.188 -9.523 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.514 -8.939 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.513 -9.187 -1.855 1.00 0.00 H new ATOM 1143 N HIS A 79 -4.641 -12.532 -3.777 1.00 0.00 N ATOM 1144 CA HIS A 79 -5.312 -13.765 -4.174 1.00 0.00 C ATOM 1145 C HIS A 79 -6.018 -13.593 -5.515 1.00 0.00 C ATOM 1146 O HIS A 79 -7.010 -12.871 -5.618 1.00 0.00 O ATOM 1147 CB HIS A 79 -6.320 -14.189 -3.105 1.00 0.00 C ATOM 1148 CG HIS A 79 -7.476 -13.247 -2.965 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -7.341 -11.876 -3.018 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -8.794 -13.487 -2.775 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -8.526 -11.313 -2.865 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -9.425 -12.268 -2.716 1.00 0.00 N ATOM 0 H HIS A 79 -5.271 -11.769 -3.529 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.556 -14.543 -4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.698 -15.182 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.808 -14.268 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.263 -14.456 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.726 -10.252 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -10.426 -12.124 -2.579 1.00 0.00 H new ATOM 1160 N VAL A 80 -5.499 -14.259 -6.542 1.00 0.00 N ATOM 1161 CA VAL A 80 -6.080 -14.180 -7.877 1.00 0.00 C ATOM 1162 C VAL A 80 -6.739 -15.497 -8.268 1.00 0.00 C ATOM 1163 O VAL A 80 -6.104 -16.369 -8.860 1.00 0.00 O ATOM 1164 CB VAL A 80 -5.017 -13.817 -8.930 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -5.632 -13.787 -10.321 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -4.370 -12.481 -8.596 1.00 0.00 C ATOM 0 H VAL A 80 -4.677 -14.859 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.835 -13.394 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.242 -14.583 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.866 -13.529 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.044 -14.768 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.428 -13.043 -10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.621 -12.240 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.132 -11.702 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.893 -12.542 -7.618 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.018 -15.635 -7.935 1.00 0.00 N ATOM 1177 CA ALA A 81 -8.765 -16.845 -8.254 1.00 0.00 C ATOM 1178 C ALA A 81 -9.966 -16.531 -9.141 1.00 0.00 C ATOM 1179 O ALA A 81 -11.083 -16.368 -8.654 1.00 0.00 O ATOM 1180 CB ALA A 81 -9.217 -17.538 -6.978 1.00 0.00 C ATOM 0 H ALA A 81 -8.559 -14.923 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.105 -17.515 -8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.774 -18.440 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.345 -17.805 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.856 -16.866 -6.406 1.00 0.00 H new ATOM 1186 N ASN A 82 -9.725 -16.448 -10.446 1.00 0.00 N ATOM 1187 CA ASN A 82 -10.787 -16.152 -11.401 1.00 0.00 C ATOM 1188 C ASN A 82 -10.958 -17.296 -12.396 1.00 0.00 C ATOM 1189 O ASN A 82 -9.984 -17.933 -12.798 1.00 0.00 O ATOM 1190 CB ASN A 82 -10.482 -14.853 -12.149 1.00 0.00 C ATOM 1191 CG ASN A 82 -9.296 -14.989 -13.085 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -9.461 -15.141 -14.295 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -8.093 -14.936 -12.526 1.00 0.00 N ATOM 0 H ASN A 82 -8.805 -16.581 -10.866 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.718 -16.034 -10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.360 -14.552 -12.721 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.283 -14.060 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.257 -15.023 -13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.004 -14.809 -11.518 1.00 0.00 H new ATOM 1200 N ILE A 83 -12.202 -17.551 -12.788 1.00 0.00 N ATOM 1201 CA ILE A 83 -12.500 -18.617 -13.737 1.00 0.00 C ATOM 1202 C ILE A 83 -11.480 -18.645 -14.870 1.00 0.00 C ATOM 1203 O ILE A 83 -11.257 -17.639 -15.545 1.00 0.00 O ATOM 1204 CB ILE A 83 -13.911 -18.460 -14.334 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -14.130 -17.023 -14.810 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -14.966 -18.852 -13.311 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -15.333 -16.862 -15.713 1.00 0.00 C ATOM 0 H ILE A 83 -13.019 -17.034 -12.463 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.451 -19.555 -13.184 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.002 -19.125 -15.193 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -14.249 -16.375 -13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.240 -16.685 -15.341 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.958 -18.736 -13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.819 -19.891 -13.017 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -14.878 -18.211 -12.434 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.427 -15.818 -16.012 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.208 -17.483 -16.600 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.232 -17.169 -15.179 1.00 0.00 H new ATOM 1219 N VAL A 84 -10.864 -19.805 -15.076 1.00 0.00 N ATOM 1220 CA VAL A 84 -9.870 -19.966 -16.130 1.00 0.00 C ATOM 1221 C VAL A 84 -10.186 -21.174 -17.004 1.00 0.00 C ATOM 1222 O VAL A 84 -10.255 -22.302 -16.517 1.00 0.00 O ATOM 1223 CB VAL A 84 -8.453 -20.124 -15.546 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -7.973 -18.812 -14.946 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -8.427 -21.236 -14.508 1.00 0.00 C ATOM 0 H VAL A 84 -11.036 -20.647 -14.527 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.905 -19.062 -16.739 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.774 -20.396 -16.354 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.971 -18.943 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.953 -18.044 -15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -8.651 -18.507 -14.149 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.419 -21.334 -14.105 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.118 -20.996 -13.700 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.725 -22.175 -14.974 1.00 0.00 H new ATOM 1235 N GLU A 85 -10.376 -20.930 -18.297 1.00 0.00 N ATOM 1236 CA GLU A 85 -10.685 -21.999 -19.238 1.00 0.00 C ATOM 1237 C GLU A 85 -11.525 -23.085 -18.572 1.00 0.00 C ATOM 1238 O GLU A 85 -11.471 -24.237 -18.999 1.00 0.00 O ATOM 1239 CB GLU A 85 -9.396 -22.607 -19.796 1.00 0.00 C ATOM 1240 CG GLU A 85 -8.549 -23.305 -18.746 1.00 0.00 C ATOM 1241 CD GLU A 85 -7.201 -23.747 -19.283 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -7.100 -23.991 -20.503 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -6.249 -23.848 -18.482 1.00 0.00 O ATOM 0 H GLU A 85 -10.321 -20.002 -18.716 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.261 -21.570 -20.058 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.650 -23.321 -20.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.805 -21.819 -20.263 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.397 -22.633 -17.902 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.088 -24.174 -18.368 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 5.785 -4.846 -12.092 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -5.908 0.388 -16.823 1.00 0.00 ZN