USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ -160:sc= 0.326 (180deg=-0.336) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0.74 USER MOD Set 2.1: A 35 CYS SG : rot 137:sc= 3.18 USER MOD Set 2.2: A 37 SER OG : rot 81:sc= 1.26 USER MOD Set 2.3: A 38 CYS SG : rot 47:sc= 0.662 USER MOD Set 2.4: A 58 CYS SG : rot -139:sc= -2.76! USER MOD Set 2.5: A 60 ASN : amide:sc= 0.647 K(o=3,f=1.6) USER MOD Set 3.1: A 8 CYS SG : rot 153:sc= 1.64 USER MOD Set 3.2: A 11 CYS SG : rot -54:sc= 0.691 USER MOD Set 3.3: A 29 HIS : no HD1:sc= -0.826 K(o=0.78,f=-0.62) USER MOD Set 3.4: A 32 CYS SG : rot 132:sc= -0.724 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0654 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.133 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 2.36 (180deg=1.91) USER MOD Single : A 36 SER OG : rot -140:sc= 0.604 USER MOD Single : A 39 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.62) USER MOD Single : A 41 GLN : amide:sc= -0.481 K(o=-0.48,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 48 SER OG : rot 110:sc= -0.396 USER MOD Single : A 49 SER OG : rot 156:sc= -0.727 USER MOD Single : A 50 TYR OH : rot -30:sc= 0.618 USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.142 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 136:sc= -0.364 (180deg=-4.17!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.377 -3.020 -0.936 1.00 0.00 N ATOM 98 CA ARG A 7 -10.064 -2.669 0.446 1.00 0.00 C ATOM 99 C ARG A 7 -8.556 -2.697 0.730 1.00 0.00 C ATOM 100 O ARG A 7 -7.747 -2.901 -0.179 1.00 0.00 O ATOM 101 CB ARG A 7 -10.823 -3.619 1.390 1.00 0.00 C ATOM 102 CG ARG A 7 -10.158 -4.975 1.635 1.00 0.00 C ATOM 103 CD ARG A 7 -9.843 -5.719 0.350 1.00 0.00 C ATOM 104 NE ARG A 7 -8.414 -5.723 0.078 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.876 -6.124 -1.070 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.634 -6.679 -2.006 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.575 -5.992 -1.271 1.00 0.00 N ATOM 0 HA ARG A 7 -10.386 -1.642 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.955 -3.120 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.818 -3.791 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.236 -4.826 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.813 -5.589 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.204 -6.745 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.372 -5.253 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.786 -5.398 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.634 -6.800 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.217 -6.985 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.986 -5.583 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.161 -6.299 -2.151 1.00 0.00 H new ATOM 121 N CYS A 8 -8.197 -2.506 2.001 1.00 0.00 N ATOM 122 CA CYS A 8 -6.804 -2.507 2.427 1.00 0.00 C ATOM 123 C CYS A 8 -6.109 -3.808 2.049 1.00 0.00 C ATOM 124 O CYS A 8 -6.694 -4.893 2.116 1.00 0.00 O ATOM 125 CB CYS A 8 -6.711 -2.305 3.946 1.00 0.00 C ATOM 126 SG CYS A 8 -5.070 -1.775 4.544 1.00 0.00 S ATOM 0 H CYS A 8 -8.863 -2.347 2.757 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.304 -1.684 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.450 -1.562 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.979 -3.239 4.440 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.207 -1.097 5.645 1.00 0.00 H new ATOM 131 N ALA A 9 -4.830 -3.695 1.755 1.00 0.00 N ATOM 132 CA ALA A 9 -3.996 -4.850 1.493 1.00 0.00 C ATOM 133 C ALA A 9 -2.912 -4.943 2.558 1.00 0.00 C ATOM 134 O ALA A 9 -1.926 -5.670 2.409 1.00 0.00 O ATOM 135 CB ALA A 9 -3.388 -4.761 0.099 1.00 0.00 C ATOM 0 H ALA A 9 -4.340 -2.803 1.691 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.605 -5.753 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.764 -5.636 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.185 -4.723 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.779 -3.860 0.024 1.00 0.00 H new ATOM 141 N GLY A 10 -3.079 -4.153 3.613 1.00 0.00 N ATOM 142 CA GLY A 10 -2.086 -4.100 4.663 1.00 0.00 C ATOM 143 C GLY A 10 -2.489 -4.869 5.901 1.00 0.00 C ATOM 144 O GLY A 10 -1.631 -5.380 6.621 1.00 0.00 O ATOM 0 H GLY A 10 -3.887 -3.548 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.145 -4.499 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.906 -3.059 4.932 1.00 0.00 H new ATOM 148 N CYS A 11 -3.785 -4.929 6.181 1.00 0.00 N ATOM 149 CA CYS A 11 -4.252 -5.615 7.373 1.00 0.00 C ATOM 150 C CYS A 11 -5.253 -6.721 7.036 1.00 0.00 C ATOM 151 O CYS A 11 -4.899 -7.730 6.419 1.00 0.00 O ATOM 152 CB CYS A 11 -4.866 -4.609 8.355 1.00 0.00 C ATOM 153 SG CYS A 11 -6.179 -3.563 7.646 1.00 0.00 S ATOM 0 H CYS A 11 -4.520 -4.517 5.607 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.391 -6.090 7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.274 -5.154 9.206 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.074 -3.966 8.738 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.733 -2.971 6.578 1.00 0.00 H new ATOM 158 N GLY A 12 -6.485 -6.545 7.492 1.00 0.00 N ATOM 159 CA GLY A 12 -7.502 -7.559 7.320 1.00 0.00 C ATOM 160 C GLY A 12 -8.386 -7.318 6.116 1.00 0.00 C ATOM 161 O GLY A 12 -8.576 -8.219 5.297 1.00 0.00 O ATOM 0 H GLY A 12 -6.799 -5.708 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.022 -8.533 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.122 -7.598 8.216 1.00 0.00 H new ATOM 165 N GLY A 13 -8.976 -6.134 6.026 1.00 0.00 N ATOM 166 CA GLY A 13 -9.878 -5.860 4.930 1.00 0.00 C ATOM 167 C GLY A 13 -10.364 -4.425 4.888 1.00 0.00 C ATOM 168 O GLY A 13 -9.665 -3.543 4.391 1.00 0.00 O ATOM 0 H GLY A 13 -8.847 -5.367 6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.376 -6.092 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.739 -6.524 5.004 1.00 0.00 H new ATOM 172 N LYS A 14 -11.620 -4.225 5.272 1.00 0.00 N ATOM 173 CA LYS A 14 -12.269 -2.926 5.146 1.00 0.00 C ATOM 174 C LYS A 14 -11.478 -1.826 5.842 1.00 0.00 C ATOM 175 O LYS A 14 -10.957 -2.011 6.944 1.00 0.00 O ATOM 176 CB LYS A 14 -13.694 -2.977 5.703 1.00 0.00 C ATOM 177 CG LYS A 14 -14.679 -2.117 4.928 1.00 0.00 C ATOM 178 CD LYS A 14 -16.011 -1.994 5.652 1.00 0.00 C ATOM 179 CE LYS A 14 -16.528 -0.563 5.632 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.768 -0.411 6.439 1.00 0.00 N ATOM 0 H LYS A 14 -12.212 -4.951 5.676 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.309 -2.689 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.042 -4.010 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.681 -2.652 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.254 -1.125 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.840 -2.549 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.743 -2.653 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.897 -2.326 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.759 0.106 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.725 -0.262 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.088 0.578 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.510 -1.031 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.574 -0.673 7.426 1.00 0.00 H new ATOM 194 N ILE A 15 -11.394 -0.688 5.177 1.00 0.00 N ATOM 195 CA ILE A 15 -10.676 0.463 5.688 1.00 0.00 C ATOM 196 C ILE A 15 -11.621 1.351 6.494 1.00 0.00 C ATOM 197 O ILE A 15 -12.755 1.598 6.081 1.00 0.00 O ATOM 198 CB ILE A 15 -10.049 1.269 4.528 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.422 0.310 3.504 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.017 2.258 5.051 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.759 1.006 2.336 1.00 0.00 C ATOM 0 H ILE A 15 -11.824 -0.537 4.264 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.875 0.113 6.339 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.834 1.841 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.684 -0.313 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.196 -0.357 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.590 2.813 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.496 2.952 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.226 1.718 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.341 0.262 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.497 1.607 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.961 1.652 2.703 1.00 0.00 H new ATOM 212 N ALA A 16 -11.194 1.727 7.694 1.00 0.00 N ATOM 213 CA ALA A 16 -12.045 2.482 8.608 1.00 0.00 C ATOM 214 C ALA A 16 -12.008 3.976 8.313 1.00 0.00 C ATOM 215 O ALA A 16 -12.715 4.758 8.947 1.00 0.00 O ATOM 216 CB ALA A 16 -11.638 2.221 10.048 1.00 0.00 C ATOM 0 H ALA A 16 -10.263 1.522 8.057 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.069 2.141 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.282 2.791 10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.737 1.158 10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.602 2.526 10.194 1.00 0.00 H new ATOM 222 N ASP A 17 -11.225 4.358 7.322 1.00 0.00 N ATOM 223 CA ASP A 17 -11.162 5.748 6.890 1.00 0.00 C ATOM 224 C ASP A 17 -12.362 6.060 6.014 1.00 0.00 C ATOM 225 O ASP A 17 -12.906 5.165 5.363 1.00 0.00 O ATOM 226 CB ASP A 17 -9.871 6.008 6.112 1.00 0.00 C ATOM 227 CG ASP A 17 -8.795 6.669 6.946 1.00 0.00 C ATOM 228 OD1 ASP A 17 -9.034 6.934 8.140 1.00 0.00 O ATOM 229 OD2 ASP A 17 -7.692 6.901 6.417 1.00 0.00 O ATOM 0 H ASP A 17 -10.621 3.726 6.797 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.174 6.392 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.492 5.063 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.094 6.639 5.252 1.00 0.00 H new ATOM 234 N ARG A 18 -12.728 7.329 5.930 1.00 0.00 N ATOM 235 CA ARG A 18 -13.801 7.740 5.036 1.00 0.00 C ATOM 236 C ARG A 18 -13.318 7.613 3.608 1.00 0.00 C ATOM 237 O ARG A 18 -14.061 7.227 2.706 1.00 0.00 O ATOM 238 CB ARG A 18 -14.240 9.173 5.325 1.00 0.00 C ATOM 239 CG ARG A 18 -15.387 9.645 4.446 1.00 0.00 C ATOM 240 CD ARG A 18 -16.150 10.794 5.081 1.00 0.00 C ATOM 241 NE ARG A 18 -15.275 11.689 5.838 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.269 11.781 7.167 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.036 10.981 7.899 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.457 12.647 7.757 1.00 0.00 N ATOM 0 H ARG A 18 -12.303 8.087 6.464 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.666 7.096 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.539 9.249 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.389 9.840 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.997 9.959 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.068 8.815 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.662 11.361 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.919 10.395 5.743 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.629 12.280 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.634 10.291 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.027 11.056 8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.844 13.236 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.446 12.724 8.774 1.00 0.00 H new ATOM 258 N PHE A 19 -12.029 7.834 3.452 1.00 0.00 N ATOM 259 CA PHE A 19 -11.354 7.650 2.188 1.00 0.00 C ATOM 260 C PHE A 19 -10.277 6.593 2.368 1.00 0.00 C ATOM 261 O PHE A 19 -10.410 5.723 3.226 1.00 0.00 O ATOM 262 CB PHE A 19 -10.775 8.983 1.725 1.00 0.00 C ATOM 263 CG PHE A 19 -11.778 9.834 1.006 1.00 0.00 C ATOM 264 CD1 PHE A 19 -12.987 10.138 1.599 1.00 0.00 C ATOM 265 CD2 PHE A 19 -11.510 10.335 -0.257 1.00 0.00 C ATOM 266 CE1 PHE A 19 -13.912 10.921 0.955 1.00 0.00 C ATOM 267 CE2 PHE A 19 -12.437 11.124 -0.910 1.00 0.00 C ATOM 268 CZ PHE A 19 -13.640 11.417 -0.301 1.00 0.00 C ATOM 0 H PHE A 19 -11.418 8.149 4.205 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.047 7.309 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.395 9.529 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.926 8.796 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.208 9.754 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.569 10.107 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.853 11.148 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.221 11.511 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.367 12.034 -0.808 1.00 0.00 H new ATOM 278 N LEU A 20 -9.227 6.639 1.575 1.00 0.00 N ATOM 279 CA LEU A 20 -8.147 5.677 1.728 1.00 0.00 C ATOM 280 C LEU A 20 -6.847 6.172 1.113 1.00 0.00 C ATOM 281 O LEU A 20 -6.807 7.215 0.457 1.00 0.00 O ATOM 282 CB LEU A 20 -8.522 4.287 1.153 1.00 0.00 C ATOM 283 CG LEU A 20 -9.186 4.202 -0.245 1.00 0.00 C ATOM 284 CD1 LEU A 20 -10.680 3.962 -0.116 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.925 5.423 -1.112 1.00 0.00 C ATOM 0 H LEU A 20 -9.095 7.320 0.827 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.989 5.567 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.612 3.689 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.194 3.808 1.865 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.722 3.355 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.127 3.906 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.854 3.025 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.134 4.783 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.418 5.297 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.317 6.311 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.852 5.537 -1.266 1.00 0.00 H new ATOM 297 N LEU A 21 -5.835 5.331 1.204 1.00 0.00 N ATOM 298 CA LEU A 21 -4.587 5.542 0.504 1.00 0.00 C ATOM 299 C LEU A 21 -4.546 4.572 -0.670 1.00 0.00 C ATOM 300 O LEU A 21 -5.197 3.534 -0.625 1.00 0.00 O ATOM 301 CB LEU A 21 -3.409 5.297 1.445 1.00 0.00 C ATOM 302 CG LEU A 21 -2.253 6.286 1.310 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.565 6.485 2.651 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.263 5.801 0.269 1.00 0.00 C ATOM 0 H LEU A 21 -5.857 4.481 1.767 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.517 6.569 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.773 5.326 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.028 4.291 1.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.653 7.246 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.744 7.193 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.282 6.875 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.175 5.531 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.445 6.516 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.867 4.830 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.765 5.707 -0.694 1.00 0.00 H new ATOM 316 N TYR A 22 -3.842 4.916 -1.726 1.00 0.00 N ATOM 317 CA TYR A 22 -3.770 4.041 -2.889 1.00 0.00 C ATOM 318 C TYR A 22 -2.332 3.612 -3.114 1.00 0.00 C ATOM 319 O TYR A 22 -1.446 4.459 -3.226 1.00 0.00 O ATOM 320 CB TYR A 22 -4.291 4.717 -4.172 1.00 0.00 C ATOM 321 CG TYR A 22 -5.550 5.559 -4.030 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.606 6.654 -3.181 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.676 5.270 -4.787 1.00 0.00 C ATOM 324 CE1 TYR A 22 -6.740 7.430 -3.086 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.820 6.038 -4.694 1.00 0.00 C ATOM 326 CZ TYR A 22 -7.845 7.119 -3.844 1.00 0.00 C ATOM 327 OH TYR A 22 -8.978 7.891 -3.756 1.00 0.00 O ATOM 0 H TYR A 22 -3.314 5.785 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.407 3.181 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.499 5.351 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.481 3.941 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.743 6.903 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.658 4.428 -5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.762 8.279 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.690 5.791 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.664 7.535 -4.358 1.00 0.00 H new ATOM 337 N ALA A 23 -2.106 2.309 -3.207 1.00 0.00 N ATOM 338 CA ALA A 23 -0.774 1.788 -3.463 1.00 0.00 C ATOM 339 C ALA A 23 -0.841 0.442 -4.176 1.00 0.00 C ATOM 340 O ALA A 23 -1.598 -0.441 -3.776 1.00 0.00 O ATOM 341 CB ALA A 23 0.011 1.667 -2.165 1.00 0.00 C ATOM 0 H ALA A 23 -2.828 1.595 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.256 2.490 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.006 1.275 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.099 2.649 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.509 0.990 -1.487 1.00 0.00 H new ATOM 347 N MET A 24 -0.071 0.314 -5.257 1.00 0.00 N ATOM 348 CA MET A 24 -0.032 -0.910 -6.061 1.00 0.00 C ATOM 349 C MET A 24 -1.411 -1.237 -6.629 1.00 0.00 C ATOM 350 O MET A 24 -1.819 -2.401 -6.673 1.00 0.00 O ATOM 351 CB MET A 24 0.503 -2.088 -5.238 1.00 0.00 C ATOM 352 CG MET A 24 1.987 -2.343 -5.445 1.00 0.00 C ATOM 353 SD MET A 24 2.588 -3.765 -4.512 1.00 0.00 S ATOM 354 CE MET A 24 3.897 -4.346 -5.590 1.00 0.00 C ATOM 0 H MET A 24 0.542 1.053 -5.600 1.00 0.00 H new ATOM 0 HA MET A 24 0.648 -0.738 -6.896 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.319 -1.897 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.053 -2.988 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.179 -2.503 -6.506 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.548 -1.457 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.368 -5.225 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.479 -4.607 -6.562 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.642 -3.560 -5.715 1.00 0.00 H new ATOM 364 N ASP A 25 -2.132 -0.189 -7.033 1.00 0.00 N ATOM 365 CA ASP A 25 -3.479 -0.313 -7.612 1.00 0.00 C ATOM 366 C ASP A 25 -4.490 -0.854 -6.600 1.00 0.00 C ATOM 367 O ASP A 25 -5.653 -1.078 -6.934 1.00 0.00 O ATOM 368 CB ASP A 25 -3.463 -1.200 -8.860 1.00 0.00 C ATOM 369 CG ASP A 25 -3.480 -0.403 -10.149 1.00 0.00 C ATOM 370 OD1 ASP A 25 -4.576 -0.020 -10.607 1.00 0.00 O ATOM 371 OD2 ASP A 25 -2.397 -0.164 -10.718 1.00 0.00 O ATOM 0 H ASP A 25 -1.801 0.774 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.792 0.692 -7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.574 -1.831 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.326 -1.865 -8.838 1.00 0.00 H new ATOM 376 N SER A 26 -4.068 -0.968 -5.350 1.00 0.00 N ATOM 377 CA SER A 26 -4.954 -1.374 -4.268 1.00 0.00 C ATOM 378 C SER A 26 -5.095 -0.217 -3.293 1.00 0.00 C ATOM 379 O SER A 26 -4.287 0.711 -3.317 1.00 0.00 O ATOM 380 CB SER A 26 -4.388 -2.604 -3.556 1.00 0.00 C ATOM 381 OG SER A 26 -3.325 -3.176 -4.303 1.00 0.00 O ATOM 0 H SER A 26 -3.108 -0.783 -5.057 1.00 0.00 H new ATOM 0 HA SER A 26 -5.933 -1.635 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.032 -2.324 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.177 -3.343 -3.414 1.00 0.00 H new ATOM 0 HG SER A 26 -2.977 -3.960 -3.829 1.00 0.00 H new ATOM 387 N TYR A 27 -6.097 -0.262 -2.433 1.00 0.00 N ATOM 388 CA TYR A 27 -6.273 0.790 -1.449 1.00 0.00 C ATOM 389 C TYR A 27 -5.783 0.306 -0.096 1.00 0.00 C ATOM 390 O TYR A 27 -5.673 -0.898 0.133 1.00 0.00 O ATOM 391 CB TYR A 27 -7.731 1.249 -1.381 1.00 0.00 C ATOM 392 CG TYR A 27 -8.267 1.797 -2.693 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.425 2.048 -3.774 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.624 2.044 -2.856 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.922 2.520 -4.969 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.125 2.527 -4.051 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.268 2.759 -5.104 1.00 0.00 C ATOM 398 OH TYR A 27 -9.758 3.228 -6.303 1.00 0.00 O ATOM 0 H TYR A 27 -6.793 -1.006 -2.396 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.681 1.655 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.352 0.409 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.824 2.017 -0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.365 1.870 -3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.300 1.856 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.255 2.702 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.182 2.721 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.729 3.345 -6.236 1.00 0.00 H new ATOM 408 N TRP A 28 -5.274 1.233 0.693 1.00 0.00 N ATOM 409 CA TRP A 28 -4.582 0.890 1.923 1.00 0.00 C ATOM 410 C TRP A 28 -5.004 1.803 3.066 1.00 0.00 C ATOM 411 O TRP A 28 -5.584 2.871 2.844 1.00 0.00 O ATOM 412 CB TRP A 28 -3.067 1.042 1.740 1.00 0.00 C ATOM 413 CG TRP A 28 -2.414 0.009 0.869 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.588 -0.167 -0.472 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.447 -0.963 1.281 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.796 -1.195 -0.919 1.00 0.00 N ATOM 417 CE2 TRP A 28 -1.087 -1.703 0.138 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.854 -1.282 2.504 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.160 -2.742 0.187 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.066 -2.312 2.552 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.406 -3.031 1.399 1.00 0.00 C ATOM 0 H TRP A 28 -5.327 2.234 0.504 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.841 -0.142 2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.867 2.027 1.318 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.595 1.014 2.722 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.252 0.417 -1.092 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.744 -1.527 -1.882 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.110 -0.733 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.103 -3.299 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.530 -2.567 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.130 -3.830 1.468 1.00 0.00 H new ATOM 432 N HIS A 29 -4.488 1.485 4.243 1.00 0.00 N ATOM 433 CA HIS A 29 -4.570 2.371 5.392 1.00 0.00 C ATOM 434 C HIS A 29 -3.372 3.312 5.369 1.00 0.00 C ATOM 435 O HIS A 29 -2.413 3.079 4.629 1.00 0.00 O ATOM 436 CB HIS A 29 -4.535 1.569 6.692 1.00 0.00 C ATOM 437 CG HIS A 29 -5.872 1.197 7.250 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.240 -0.108 7.388 1.00 0.00 N ATOM 439 CD2 HIS A 29 -6.854 1.981 7.753 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.420 -0.110 7.973 1.00 0.00 C ATOM 441 NE2 HIS A 29 -7.844 1.145 8.222 1.00 0.00 N ATOM 0 H HIS A 29 -4.002 0.608 4.428 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.505 2.929 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.964 0.656 6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.995 2.147 7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.860 3.061 7.781 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.976 -1.002 8.221 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.720 1.420 8.667 1.00 0.00 H new ATOM 449 N SER A 30 -3.355 4.280 6.265 1.00 0.00 N ATOM 450 CA SER A 30 -2.204 5.155 6.402 1.00 0.00 C ATOM 451 C SER A 30 -1.072 4.423 7.119 1.00 0.00 C ATOM 452 O SER A 30 0.088 4.482 6.707 1.00 0.00 O ATOM 453 CB SER A 30 -2.595 6.413 7.178 1.00 0.00 C ATOM 454 OG SER A 30 -3.779 6.194 7.927 1.00 0.00 O ATOM 0 H SER A 30 -4.121 4.481 6.907 1.00 0.00 H new ATOM 0 HA SER A 30 -1.859 5.446 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.784 6.700 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.745 7.241 6.485 1.00 0.00 H new ATOM 0 HG SER A 30 -4.011 7.010 8.418 1.00 0.00 H new ATOM 460 N ARG A 31 -1.421 3.737 8.201 1.00 0.00 N ATOM 461 CA ARG A 31 -0.439 3.030 9.012 1.00 0.00 C ATOM 462 C ARG A 31 -0.124 1.651 8.442 1.00 0.00 C ATOM 463 O ARG A 31 0.892 1.057 8.789 1.00 0.00 O ATOM 464 CB ARG A 31 -0.933 2.898 10.453 1.00 0.00 C ATOM 465 CG ARG A 31 0.187 2.852 11.481 1.00 0.00 C ATOM 466 CD ARG A 31 -0.176 1.959 12.655 1.00 0.00 C ATOM 467 NE ARG A 31 0.715 2.164 13.796 1.00 0.00 N ATOM 468 CZ ARG A 31 1.917 1.593 13.921 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.373 0.773 12.981 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.664 1.832 14.987 1.00 0.00 N ATOM 0 H ARG A 31 -2.381 3.656 8.537 1.00 0.00 H new ATOM 0 HA ARG A 31 0.479 3.617 8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.589 3.738 10.681 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.532 1.992 10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.100 2.485 11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.396 3.860 11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.204 2.158 12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.132 0.915 12.344 1.00 0.00 H new ATOM 0 HE ARG A 31 0.399 2.782 14.544 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.805 0.576 12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.291 0.341 13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.323 2.455 15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.580 1.393 15.076 1.00 0.00 H new ATOM 484 N CYS A 32 -0.971 1.154 7.549 1.00 0.00 N ATOM 485 CA CYS A 32 -0.727 -0.141 6.926 1.00 0.00 C ATOM 486 C CYS A 32 0.293 -0.006 5.802 1.00 0.00 C ATOM 487 O CYS A 32 1.020 -0.949 5.489 1.00 0.00 O ATOM 488 CB CYS A 32 -2.028 -0.740 6.401 1.00 0.00 C ATOM 489 SG CYS A 32 -3.063 -1.485 7.703 1.00 0.00 S ATOM 0 H CYS A 32 -1.824 1.622 7.242 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.322 -0.815 7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.599 0.039 5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.794 -1.499 5.655 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.287 -1.065 7.578 1.00 0.00 H new ATOM 494 N LEU A 33 0.454 1.214 5.315 1.00 0.00 N ATOM 495 CA LEU A 33 1.487 1.509 4.333 1.00 0.00 C ATOM 496 C LEU A 33 2.783 1.885 5.032 1.00 0.00 C ATOM 497 O LEU A 33 3.627 2.578 4.473 1.00 0.00 O ATOM 498 CB LEU A 33 1.052 2.638 3.409 1.00 0.00 C ATOM 499 CG LEU A 33 1.164 2.314 1.923 1.00 0.00 C ATOM 500 CD1 LEU A 33 -0.110 2.711 1.215 1.00 0.00 C ATOM 501 CD2 LEU A 33 2.360 3.019 1.304 1.00 0.00 C ATOM 0 H LEU A 33 -0.117 2.016 5.583 1.00 0.00 H new ATOM 0 HA LEU A 33 1.649 0.614 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.018 2.898 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.656 3.520 3.623 1.00 0.00 H new ATOM 0 HG LEU A 33 1.313 1.240 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.024 2.477 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.949 2.162 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.277 3.781 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.419 2.773 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.247 4.097 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.273 2.694 1.803 1.00 0.00 H new ATOM 513 N LYS A 34 2.932 1.403 6.253 1.00 0.00 N ATOM 514 CA LYS A 34 4.131 1.637 7.037 1.00 0.00 C ATOM 515 C LYS A 34 5.322 0.923 6.419 1.00 0.00 C ATOM 516 O LYS A 34 5.158 -0.002 5.616 1.00 0.00 O ATOM 517 CB LYS A 34 3.914 1.152 8.481 1.00 0.00 C ATOM 518 CG LYS A 34 4.160 -0.340 8.691 1.00 0.00 C ATOM 519 CD LYS A 34 3.100 -1.199 8.011 1.00 0.00 C ATOM 520 CE LYS A 34 3.725 -2.349 7.238 1.00 0.00 C ATOM 521 NZ LYS A 34 3.509 -2.208 5.773 1.00 0.00 N ATOM 0 H LYS A 34 2.227 0.840 6.728 1.00 0.00 H new ATOM 0 HA LYS A 34 4.338 2.707 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.574 1.713 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.892 1.384 8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.143 -0.603 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.172 -0.558 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.414 -1.594 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.510 -0.582 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.794 -2.389 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.298 -3.292 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.683 -3.121 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.529 -1.909 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.164 -1.495 5.393 1.00 0.00 H new ATOM 535 N CYS A 35 6.506 1.290 6.867 1.00 0.00 N ATOM 536 CA CYS A 35 7.711 0.609 6.455 1.00 0.00 C ATOM 537 C CYS A 35 7.680 -0.830 6.946 1.00 0.00 C ATOM 538 O CYS A 35 7.348 -1.090 8.101 1.00 0.00 O ATOM 539 CB CYS A 35 8.928 1.327 7.033 1.00 0.00 C ATOM 540 SG CYS A 35 10.531 0.702 6.434 1.00 0.00 S ATOM 0 H CYS A 35 6.657 2.060 7.519 1.00 0.00 H new ATOM 0 HA CYS A 35 7.775 0.614 5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.855 2.388 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.902 1.241 8.119 1.00 0.00 H new ATOM 0 HG CYS A 35 11.314 1.704 6.163 1.00 0.00 H new ATOM 545 N SER A 36 8.106 -1.749 6.105 1.00 0.00 N ATOM 546 CA SER A 36 8.211 -3.139 6.505 1.00 0.00 C ATOM 547 C SER A 36 9.454 -3.338 7.370 1.00 0.00 C ATOM 548 O SER A 36 9.695 -4.425 7.902 1.00 0.00 O ATOM 549 CB SER A 36 8.257 -4.040 5.268 1.00 0.00 C ATOM 550 OG SER A 36 7.054 -3.935 4.516 1.00 0.00 O ATOM 0 H SER A 36 8.385 -1.561 5.142 1.00 0.00 H new ATOM 0 HA SER A 36 7.334 -3.411 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.106 -3.763 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.410 -5.075 5.573 1.00 0.00 H new ATOM 0 HG SER A 36 6.795 -4.821 4.188 1.00 0.00 H new ATOM 556 N SER A 37 10.228 -2.271 7.521 1.00 0.00 N ATOM 557 CA SER A 37 11.439 -2.312 8.317 1.00 0.00 C ATOM 558 C SER A 37 11.321 -1.420 9.554 1.00 0.00 C ATOM 559 O SER A 37 11.711 -1.820 10.652 1.00 0.00 O ATOM 560 CB SER A 37 12.627 -1.884 7.460 1.00 0.00 C ATOM 561 OG SER A 37 12.233 -1.709 6.104 1.00 0.00 O ATOM 0 H SER A 37 10.033 -1.363 7.098 1.00 0.00 H new ATOM 0 HA SER A 37 11.593 -3.334 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.043 -0.953 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.415 -2.635 7.521 1.00 0.00 H new ATOM 0 HG SER A 37 11.809 -0.832 5.997 1.00 0.00 H new ATOM 567 N CYS A 38 10.770 -0.220 9.383 1.00 0.00 N ATOM 568 CA CYS A 38 10.590 0.700 10.502 1.00 0.00 C ATOM 569 C CYS A 38 9.284 0.415 11.238 1.00 0.00 C ATOM 570 O CYS A 38 9.135 0.775 12.410 1.00 0.00 O ATOM 571 CB CYS A 38 10.573 2.150 10.011 1.00 0.00 C ATOM 572 SG CYS A 38 12.146 2.738 9.311 1.00 0.00 S ATOM 0 H CYS A 38 10.442 0.136 8.485 1.00 0.00 H new ATOM 0 HA CYS A 38 11.428 0.553 11.184 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.794 2.254 9.255 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.298 2.797 10.844 1.00 0.00 H new ATOM 0 HG CYS A 38 12.604 1.856 8.473 1.00 0.00 H new ATOM 577 N GLN A 39 8.294 -0.065 10.486 1.00 0.00 N ATOM 578 CA GLN A 39 6.932 -0.237 10.988 1.00 0.00 C ATOM 579 C GLN A 39 6.331 1.112 11.362 1.00 0.00 C ATOM 580 O GLN A 39 5.351 1.192 12.104 1.00 0.00 O ATOM 581 CB GLN A 39 6.890 -1.188 12.185 1.00 0.00 C ATOM 582 CG GLN A 39 6.439 -2.596 11.829 1.00 0.00 C ATOM 583 CD GLN A 39 7.513 -3.395 11.121 1.00 0.00 C ATOM 584 OE1 GLN A 39 8.694 -3.317 11.466 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.113 -4.169 10.128 1.00 0.00 N ATOM 0 H GLN A 39 8.414 -0.345 9.513 1.00 0.00 H new ATOM 0 HA GLN A 39 6.338 -0.682 10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.882 -1.236 12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.217 -0.780 12.939 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.144 -3.119 12.739 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.556 -2.540 11.193 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.126 -4.204 9.875 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.792 -4.731 9.615 1.00 0.00 H new ATOM 594 N ALA A 40 6.917 2.167 10.813 1.00 0.00 N ATOM 595 CA ALA A 40 6.462 3.510 11.045 1.00 0.00 C ATOM 596 C ALA A 40 5.634 3.978 9.870 1.00 0.00 C ATOM 597 O ALA A 40 5.892 3.611 8.721 1.00 0.00 O ATOM 598 CB ALA A 40 7.640 4.442 11.283 1.00 0.00 C ATOM 0 H ALA A 40 7.724 2.104 10.193 1.00 0.00 H new ATOM 0 HA ALA A 40 5.840 3.524 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.274 5.454 11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.201 4.104 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.291 4.437 10.409 1.00 0.00 H new ATOM 604 N GLN A 41 4.596 4.709 10.197 1.00 0.00 N ATOM 605 CA GLN A 41 3.638 5.218 9.226 1.00 0.00 C ATOM 606 C GLN A 41 4.339 6.022 8.136 1.00 0.00 C ATOM 607 O GLN A 41 4.859 7.105 8.391 1.00 0.00 O ATOM 608 CB GLN A 41 2.610 6.100 9.934 1.00 0.00 C ATOM 609 CG GLN A 41 1.194 5.903 9.435 1.00 0.00 C ATOM 610 CD GLN A 41 0.528 7.205 9.060 1.00 0.00 C ATOM 611 OE1 GLN A 41 0.554 7.614 7.903 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.078 7.859 10.033 1.00 0.00 N ATOM 0 H GLN A 41 4.383 4.975 11.158 1.00 0.00 H new ATOM 0 HA GLN A 41 3.138 4.370 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.641 5.893 11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.890 7.145 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.206 5.242 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.606 5.407 10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.074 7.482 10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.550 8.742 9.837 1.00 0.00 H new ATOM 621 N LEU A 42 4.376 5.475 6.930 1.00 0.00 N ATOM 622 CA LEU A 42 5.048 6.136 5.820 1.00 0.00 C ATOM 623 C LEU A 42 4.202 7.282 5.281 1.00 0.00 C ATOM 624 O LEU A 42 4.728 8.242 4.728 1.00 0.00 O ATOM 625 CB LEU A 42 5.358 5.135 4.705 1.00 0.00 C ATOM 626 CG LEU A 42 6.844 4.818 4.501 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.569 4.717 5.833 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.008 3.530 3.715 1.00 0.00 C ATOM 0 H LEU A 42 3.950 4.578 6.695 1.00 0.00 H new ATOM 0 HA LEU A 42 5.988 6.546 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.831 4.205 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.955 5.522 3.769 1.00 0.00 H new ATOM 0 HG LEU A 42 7.288 5.636 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.621 4.491 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.485 5.664 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.122 3.923 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.069 3.319 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.542 2.709 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.531 3.635 2.741 1.00 0.00 H new ATOM 640 N GLY A 43 2.902 7.225 5.538 1.00 0.00 N ATOM 641 CA GLY A 43 2.025 8.312 5.147 1.00 0.00 C ATOM 642 C GLY A 43 2.267 9.559 5.978 1.00 0.00 C ATOM 643 O GLY A 43 2.033 10.676 5.524 1.00 0.00 O ATOM 0 H GLY A 43 2.439 6.448 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.179 8.542 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.987 7.998 5.256 1.00 0.00 H new ATOM 647 N ASP A 44 2.761 9.356 7.196 1.00 0.00 N ATOM 648 CA ASP A 44 3.036 10.448 8.129 1.00 0.00 C ATOM 649 C ASP A 44 4.078 11.416 7.568 1.00 0.00 C ATOM 650 O ASP A 44 4.048 12.612 7.856 1.00 0.00 O ATOM 651 CB ASP A 44 3.519 9.870 9.465 1.00 0.00 C ATOM 652 CG ASP A 44 4.193 10.898 10.354 1.00 0.00 C ATOM 653 OD1 ASP A 44 3.479 11.626 11.076 1.00 0.00 O ATOM 654 OD2 ASP A 44 5.441 10.970 10.350 1.00 0.00 O ATOM 0 H ASP A 44 2.982 8.431 7.565 1.00 0.00 H new ATOM 0 HA ASP A 44 2.113 11.008 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.669 9.442 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.216 9.055 9.270 1.00 0.00 H new ATOM 659 N ILE A 45 4.983 10.899 6.745 1.00 0.00 N ATOM 660 CA ILE A 45 6.035 11.721 6.159 1.00 0.00 C ATOM 661 C ILE A 45 5.510 12.529 4.971 1.00 0.00 C ATOM 662 O ILE A 45 6.147 13.485 4.528 1.00 0.00 O ATOM 663 CB ILE A 45 7.258 10.872 5.731 1.00 0.00 C ATOM 664 CG1 ILE A 45 6.995 10.152 4.405 1.00 0.00 C ATOM 665 CG2 ILE A 45 7.610 9.866 6.821 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.186 9.378 3.877 1.00 0.00 C ATOM 0 H ILE A 45 5.010 9.917 6.469 1.00 0.00 H new ATOM 0 HA ILE A 45 6.362 12.415 6.933 1.00 0.00 H new ATOM 0 HB ILE A 45 8.103 11.545 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.158 9.466 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.692 10.886 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.471 9.276 6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.850 10.397 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.761 9.205 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.919 8.897 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.020 10.061 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.477 8.619 4.603 1.00 0.00 H new ATOM 677 N GLY A 46 4.297 12.201 4.532 1.00 0.00 N ATOM 678 CA GLY A 46 3.643 12.967 3.481 1.00 0.00 C ATOM 679 C GLY A 46 4.278 12.783 2.117 1.00 0.00 C ATOM 680 O GLY A 46 3.954 13.503 1.171 1.00 0.00 O ATOM 0 H GLY A 46 3.752 11.415 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.594 12.675 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.666 14.024 3.745 1.00 0.00 H new ATOM 684 N THR A 47 5.175 11.817 2.009 1.00 0.00 N ATOM 685 CA THR A 47 5.852 11.542 0.754 1.00 0.00 C ATOM 686 C THR A 47 5.586 10.109 0.309 1.00 0.00 C ATOM 687 O THR A 47 5.029 9.319 1.064 1.00 0.00 O ATOM 688 CB THR A 47 7.370 11.772 0.891 1.00 0.00 C ATOM 689 OG1 THR A 47 7.637 12.527 2.084 1.00 0.00 O ATOM 690 CG2 THR A 47 7.925 12.516 -0.314 1.00 0.00 C ATOM 0 H THR A 47 5.452 11.208 2.779 1.00 0.00 H new ATOM 0 HA THR A 47 5.460 12.227 0.002 1.00 0.00 H new ATOM 0 HB THR A 47 7.858 10.799 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.602 12.671 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.998 12.663 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.742 11.934 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.433 13.485 -0.401 1.00 0.00 H new ATOM 698 N SER A 48 5.927 9.804 -0.934 1.00 0.00 N ATOM 699 CA SER A 48 5.673 8.489 -1.494 1.00 0.00 C ATOM 700 C SER A 48 6.697 7.465 -1.022 1.00 0.00 C ATOM 701 O SER A 48 7.819 7.805 -0.639 1.00 0.00 O ATOM 702 CB SER A 48 5.660 8.572 -3.009 1.00 0.00 C ATOM 703 OG SER A 48 4.363 8.912 -3.476 1.00 0.00 O ATOM 0 H SER A 48 6.382 10.454 -1.575 1.00 0.00 H new ATOM 0 HA SER A 48 4.697 8.154 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.381 9.317 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.968 7.617 -3.434 1.00 0.00 H new ATOM 0 HG SER A 48 4.373 9.824 -3.836 1.00 0.00 H new ATOM 709 N SER A 49 6.268 6.216 -0.999 1.00 0.00 N ATOM 710 CA SER A 49 7.082 5.121 -0.518 1.00 0.00 C ATOM 711 C SER A 49 7.740 4.393 -1.682 1.00 0.00 C ATOM 712 O SER A 49 7.514 4.734 -2.845 1.00 0.00 O ATOM 713 CB SER A 49 6.192 4.162 0.265 1.00 0.00 C ATOM 714 OG SER A 49 4.925 4.040 -0.359 1.00 0.00 O ATOM 0 H SER A 49 5.340 5.934 -1.316 1.00 0.00 H new ATOM 0 HA SER A 49 7.871 5.508 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.669 3.184 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.068 4.523 1.286 1.00 0.00 H new ATOM 0 HG SER A 49 4.518 3.184 -0.108 1.00 0.00 H new ATOM 720 N TYR A 50 8.508 3.361 -1.367 1.00 0.00 N ATOM 721 CA TYR A 50 9.138 2.544 -2.388 1.00 0.00 C ATOM 722 C TYR A 50 8.672 1.102 -2.266 1.00 0.00 C ATOM 723 O TYR A 50 8.393 0.623 -1.163 1.00 0.00 O ATOM 724 CB TYR A 50 10.655 2.623 -2.276 1.00 0.00 C ATOM 725 CG TYR A 50 11.234 3.874 -2.888 1.00 0.00 C ATOM 726 CD1 TYR A 50 10.921 4.240 -4.191 1.00 0.00 C ATOM 727 CD2 TYR A 50 12.090 4.692 -2.164 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.452 5.388 -4.754 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.619 5.837 -2.719 1.00 0.00 C ATOM 730 CZ TYR A 50 12.302 6.181 -4.012 1.00 0.00 C ATOM 731 OH TYR A 50 12.829 7.331 -4.556 1.00 0.00 O ATOM 0 H TYR A 50 8.709 3.071 -0.410 1.00 0.00 H new ATOM 0 HA TYR A 50 8.846 2.925 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.938 2.577 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.094 1.752 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.254 3.621 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.346 4.427 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.202 5.661 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.281 6.463 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 50 12.925 7.220 -5.525 1.00 0.00 H new ATOM 741 N THR A 51 8.513 0.443 -3.401 1.00 0.00 N ATOM 742 CA THR A 51 7.980 -0.906 -3.428 1.00 0.00 C ATOM 743 C THR A 51 8.972 -1.886 -4.043 1.00 0.00 C ATOM 744 O THR A 51 9.233 -1.845 -5.245 1.00 0.00 O ATOM 745 CB THR A 51 6.671 -0.956 -4.236 1.00 0.00 C ATOM 746 OG1 THR A 51 6.283 0.368 -4.631 1.00 0.00 O ATOM 747 CG2 THR A 51 5.558 -1.607 -3.429 1.00 0.00 C ATOM 0 H THR A 51 8.747 0.823 -4.318 1.00 0.00 H new ATOM 0 HA THR A 51 7.789 -1.195 -2.394 1.00 0.00 H new ATOM 0 HB THR A 51 6.844 -1.558 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.937 0.348 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.644 -1.630 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.846 -2.625 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.385 -1.033 -2.519 1.00 0.00 H new ATOM 755 N LYS A 52 9.464 -2.813 -3.236 1.00 0.00 N ATOM 756 CA LYS A 52 10.342 -3.861 -3.733 1.00 0.00 C ATOM 757 C LYS A 52 10.279 -5.075 -2.817 1.00 0.00 C ATOM 758 O LYS A 52 10.044 -4.931 -1.616 1.00 0.00 O ATOM 759 CB LYS A 52 11.784 -3.359 -3.858 1.00 0.00 C ATOM 760 CG LYS A 52 12.333 -3.454 -5.273 1.00 0.00 C ATOM 761 CD LYS A 52 13.654 -2.716 -5.416 1.00 0.00 C ATOM 762 CE LYS A 52 13.899 -2.285 -6.856 1.00 0.00 C ATOM 763 NZ LYS A 52 12.952 -1.223 -7.292 1.00 0.00 N ATOM 0 H LYS A 52 9.271 -2.861 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 52 10.000 -4.150 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.830 -2.322 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.422 -3.936 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.471 -4.502 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.607 -3.040 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.655 -1.840 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.469 -3.359 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.922 -1.921 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.802 -3.149 -7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.915 -1.196 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.004 -1.428 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.274 -0.302 -6.933 1.00 0.00 H new ATOM 777 N SER A 53 10.392 -6.265 -3.409 1.00 0.00 N ATOM 778 CA SER A 53 10.298 -7.527 -2.672 1.00 0.00 C ATOM 779 C SER A 53 8.900 -7.720 -2.081 1.00 0.00 C ATOM 780 O SER A 53 8.712 -8.477 -1.129 1.00 0.00 O ATOM 781 CB SER A 53 11.353 -7.576 -1.560 1.00 0.00 C ATOM 782 OG SER A 53 12.648 -7.276 -2.071 1.00 0.00 O ATOM 0 H SER A 53 10.551 -6.382 -4.410 1.00 0.00 H new ATOM 0 HA SER A 53 10.485 -8.340 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.094 -6.864 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.359 -8.565 -1.103 1.00 0.00 H new ATOM 0 HG SER A 53 13.303 -7.312 -1.343 1.00 0.00 H new ATOM 788 N GLY A 54 7.927 -7.002 -2.630 1.00 0.00 N ATOM 789 CA GLY A 54 6.569 -7.078 -2.122 1.00 0.00 C ATOM 790 C GLY A 54 6.432 -6.428 -0.759 1.00 0.00 C ATOM 791 O GLY A 54 5.410 -6.580 -0.085 1.00 0.00 O ATOM 0 H GLY A 54 8.054 -6.368 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.892 -6.592 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.265 -8.123 -2.057 1.00 0.00 H new ATOM 795 N MET A 55 7.467 -5.703 -0.356 1.00 0.00 N ATOM 796 CA MET A 55 7.481 -5.023 0.926 1.00 0.00 C ATOM 797 C MET A 55 7.460 -3.514 0.724 1.00 0.00 C ATOM 798 O MET A 55 7.697 -3.020 -0.381 1.00 0.00 O ATOM 799 CB MET A 55 8.712 -5.444 1.741 1.00 0.00 C ATOM 800 CG MET A 55 9.930 -4.553 1.539 1.00 0.00 C ATOM 801 SD MET A 55 11.353 -5.095 2.502 1.00 0.00 S ATOM 802 CE MET A 55 12.509 -5.493 1.194 1.00 0.00 C ATOM 0 H MET A 55 8.315 -5.572 -0.908 1.00 0.00 H new ATOM 0 HA MET A 55 6.588 -5.308 1.483 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.450 -5.447 2.799 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.977 -6.468 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.195 -4.541 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.677 -3.530 1.816 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.494 -5.099 1.446 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.570 -6.575 1.079 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.169 -5.047 0.259 1.00 0.00 H new ATOM 812 N ILE A 56 7.195 -2.791 1.796 1.00 0.00 N ATOM 813 CA ILE A 56 7.147 -1.340 1.745 1.00 0.00 C ATOM 814 C ILE A 56 8.402 -0.754 2.372 1.00 0.00 C ATOM 815 O ILE A 56 8.749 -1.080 3.508 1.00 0.00 O ATOM 816 CB ILE A 56 5.905 -0.774 2.473 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.690 -1.692 2.269 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.602 0.638 1.987 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.054 -1.580 0.898 1.00 0.00 C ATOM 0 H ILE A 56 7.009 -3.186 2.718 1.00 0.00 H new ATOM 0 HA ILE A 56 7.083 -1.057 0.694 1.00 0.00 H new ATOM 0 HB ILE A 56 6.121 -0.732 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.997 -2.725 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.941 -1.459 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.725 1.022 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.457 1.284 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.407 0.620 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.204 -2.259 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.714 -0.557 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.786 -1.843 0.135 1.00 0.00 H new ATOM 830 N LEU A 57 9.110 0.062 1.610 1.00 0.00 N ATOM 831 CA LEU A 57 10.353 0.651 2.077 1.00 0.00 C ATOM 832 C LEU A 57 10.213 2.152 2.239 1.00 0.00 C ATOM 833 O LEU A 57 9.680 2.828 1.355 1.00 0.00 O ATOM 834 CB LEU A 57 11.483 0.362 1.080 1.00 0.00 C ATOM 835 CG LEU A 57 12.434 -0.787 1.441 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.197 -1.285 2.861 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.284 -1.922 0.442 1.00 0.00 C ATOM 0 H LEU A 57 8.844 0.332 0.663 1.00 0.00 H new ATOM 0 HA LEU A 57 10.590 0.208 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.036 0.143 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.074 1.270 0.961 1.00 0.00 H new ATOM 0 HG LEU A 57 13.455 -0.407 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.888 -2.098 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.361 -0.469 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.172 -1.644 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.963 -2.732 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.258 -2.289 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.523 -1.561 -0.558 1.00 0.00 H new ATOM 849 N CYS A 58 10.848 2.685 3.272 1.00 0.00 N ATOM 850 CA CYS A 58 10.975 4.118 3.402 1.00 0.00 C ATOM 851 C CYS A 58 12.123 4.572 2.509 1.00 0.00 C ATOM 852 O CYS A 58 12.907 3.741 2.047 1.00 0.00 O ATOM 853 CB CYS A 58 11.216 4.518 4.866 1.00 0.00 C ATOM 854 SG CYS A 58 12.743 3.846 5.608 1.00 0.00 S ATOM 0 H CYS A 58 11.278 2.147 4.024 1.00 0.00 H new ATOM 0 HA CYS A 58 10.051 4.605 3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.247 5.606 4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.365 4.188 5.462 1.00 0.00 H new ATOM 0 HG CYS A 58 12.503 3.471 6.829 1.00 0.00 H new ATOM 859 N ARG A 59 12.220 5.865 2.247 1.00 0.00 N ATOM 860 CA ARG A 59 13.280 6.380 1.387 1.00 0.00 C ATOM 861 C ARG A 59 14.648 6.033 1.968 1.00 0.00 C ATOM 862 O ARG A 59 15.539 5.571 1.257 1.00 0.00 O ATOM 863 CB ARG A 59 13.154 7.894 1.211 1.00 0.00 C ATOM 864 CG ARG A 59 14.094 8.467 0.158 1.00 0.00 C ATOM 865 CD ARG A 59 13.387 8.672 -1.171 1.00 0.00 C ATOM 866 NE ARG A 59 12.527 9.855 -1.154 1.00 0.00 N ATOM 867 CZ ARG A 59 11.980 10.403 -2.238 1.00 0.00 C ATOM 868 NH1 ARG A 59 12.125 9.833 -3.433 1.00 0.00 N ATOM 869 NH2 ARG A 59 11.262 11.510 -2.114 1.00 0.00 N ATOM 0 H ARG A 59 11.585 6.574 2.613 1.00 0.00 H new ATOM 0 HA ARG A 59 13.180 5.911 0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.127 8.135 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.353 8.380 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.496 9.418 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.941 7.794 0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.127 8.773 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.788 7.791 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 59 12.333 10.289 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.659 8.969 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.702 10.261 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.133 11.934 -1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.839 11.938 -2.937 1.00 0.00 H new ATOM 883 N ASN A 60 14.769 6.192 3.278 1.00 0.00 N ATOM 884 CA ASN A 60 16.000 5.879 3.994 1.00 0.00 C ATOM 885 C ASN A 60 16.350 4.391 3.904 1.00 0.00 C ATOM 886 O ASN A 60 17.499 4.032 3.644 1.00 0.00 O ATOM 887 CB ASN A 60 15.863 6.326 5.459 1.00 0.00 C ATOM 888 CG ASN A 60 16.437 5.339 6.461 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.649 5.272 6.668 1.00 0.00 O ATOM 890 ND2 ASN A 60 15.566 4.573 7.101 1.00 0.00 N ATOM 0 H ASN A 60 14.019 6.541 3.875 1.00 0.00 H new ATOM 0 HA ASN A 60 16.821 6.422 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.363 7.287 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.808 6.484 5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.892 3.898 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.569 4.658 6.902 1.00 0.00 H new ATOM 897 N ASP A 61 15.374 3.529 4.162 1.00 0.00 N ATOM 898 CA ASP A 61 15.621 2.089 4.191 1.00 0.00 C ATOM 899 C ASP A 61 15.828 1.535 2.798 1.00 0.00 C ATOM 900 O ASP A 61 16.639 0.632 2.598 1.00 0.00 O ATOM 901 CB ASP A 61 14.475 1.351 4.871 1.00 0.00 C ATOM 902 CG ASP A 61 14.707 1.209 6.356 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.884 1.303 6.785 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.740 0.961 7.099 1.00 0.00 O ATOM 0 H ASP A 61 14.409 3.798 4.353 1.00 0.00 H new ATOM 0 HA ASP A 61 16.534 1.932 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.542 1.888 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.362 0.363 4.424 1.00 0.00 H new ATOM 909 N TYR A 62 15.134 2.116 1.831 1.00 0.00 N ATOM 910 CA TYR A 62 15.281 1.718 0.440 1.00 0.00 C ATOM 911 C TYR A 62 16.725 1.886 0.003 1.00 0.00 C ATOM 912 O TYR A 62 17.264 1.044 -0.708 1.00 0.00 O ATOM 913 CB TYR A 62 14.360 2.553 -0.450 1.00 0.00 C ATOM 914 CG TYR A 62 14.339 2.119 -1.898 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.662 0.972 -2.287 1.00 0.00 C ATOM 916 CD2 TYR A 62 14.971 2.874 -2.876 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.621 0.585 -3.612 1.00 0.00 C ATOM 918 CE2 TYR A 62 14.931 2.496 -4.204 1.00 0.00 C ATOM 919 CZ TYR A 62 14.253 1.353 -4.567 1.00 0.00 C ATOM 920 OH TYR A 62 14.206 0.978 -5.890 1.00 0.00 O ATOM 0 H TYR A 62 14.461 2.867 1.985 1.00 0.00 H new ATOM 0 HA TYR A 62 15.002 0.669 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.346 2.504 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.672 3.596 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.159 0.373 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.502 3.771 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.097 -0.315 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.429 3.093 -4.954 1.00 0.00 H new ATOM 0 HH TYR A 62 14.700 1.628 -6.432 1.00 0.00 H new ATOM 930 N ILE A 63 17.355 2.949 0.490 1.00 0.00 N ATOM 931 CA ILE A 63 18.748 3.241 0.184 1.00 0.00 C ATOM 932 C ILE A 63 19.681 2.189 0.778 1.00 0.00 C ATOM 933 O ILE A 63 20.603 1.719 0.112 1.00 0.00 O ATOM 934 CB ILE A 63 19.129 4.649 0.699 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.378 5.706 -0.114 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.635 4.885 0.626 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.425 7.092 0.482 1.00 0.00 C ATOM 0 H ILE A 63 16.914 3.631 1.107 1.00 0.00 H new ATOM 0 HA ILE A 63 18.863 3.217 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 63 18.842 4.724 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 63 18.797 5.740 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.336 5.400 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.865 5.884 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.149 4.144 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.968 4.795 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.869 7.781 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.978 7.076 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 63 19.461 7.422 0.555 1.00 0.00 H new ATOM 948 N ARG A 64 19.396 1.770 2.004 1.00 0.00 N ATOM 949 CA ARG A 64 20.186 0.727 2.652 1.00 0.00 C ATOM 950 C ARG A 64 19.975 -0.616 1.961 1.00 0.00 C ATOM 951 O ARG A 64 20.825 -1.502 2.026 1.00 0.00 O ATOM 952 CB ARG A 64 19.809 0.589 4.130 1.00 0.00 C ATOM 953 CG ARG A 64 19.563 1.907 4.846 1.00 0.00 C ATOM 954 CD ARG A 64 18.994 1.684 6.244 1.00 0.00 C ATOM 955 NE ARG A 64 19.615 0.537 6.908 1.00 0.00 N ATOM 956 CZ ARG A 64 18.959 -0.565 7.280 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.636 -0.624 7.187 1.00 0.00 N ATOM 958 NH2 ARG A 64 19.627 -1.597 7.776 1.00 0.00 N ATOM 0 H ARG A 64 18.628 2.133 2.569 1.00 0.00 H new ATOM 0 HA ARG A 64 21.234 1.017 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.911 -0.024 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.606 0.053 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.497 2.464 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.872 2.516 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 64 19.148 2.579 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.918 1.526 6.177 1.00 0.00 H new ATOM 0 HE ARG A 64 20.616 0.582 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.114 0.176 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.142 -1.469 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.641 -1.549 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.127 -2.439 8.060 1.00 0.00 H new ATOM 972 N LEU A 65 18.787 -0.801 1.410 1.00 0.00 N ATOM 973 CA LEU A 65 18.410 -2.078 0.823 1.00 0.00 C ATOM 974 C LEU A 65 18.894 -2.202 -0.621 1.00 0.00 C ATOM 975 O LEU A 65 19.584 -3.161 -0.967 1.00 0.00 O ATOM 976 CB LEU A 65 16.888 -2.253 0.882 1.00 0.00 C ATOM 977 CG LEU A 65 16.377 -3.266 1.912 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.998 -4.633 1.679 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.661 -2.782 3.326 1.00 0.00 C ATOM 0 H LEU A 65 18.065 -0.082 1.356 1.00 0.00 H new ATOM 0 HA LEU A 65 18.891 -2.865 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.437 -1.284 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.537 -2.556 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 65 15.298 -3.358 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.621 -5.336 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.738 -4.986 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.082 -4.560 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.291 -3.515 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.736 -2.656 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.161 -1.828 3.491 1.00 0.00 H new ATOM 991 N PHE A 66 18.446 -1.288 -1.481 1.00 0.00 N ATOM 992 CA PHE A 66 18.750 -1.374 -2.909 1.00 0.00 C ATOM 993 C PHE A 66 19.194 -0.029 -3.482 1.00 0.00 C ATOM 994 O PHE A 66 19.997 0.010 -4.408 1.00 0.00 O ATOM 995 CB PHE A 66 17.528 -1.864 -3.700 1.00 0.00 C ATOM 996 CG PHE A 66 16.691 -2.892 -2.990 1.00 0.00 C ATOM 997 CD1 PHE A 66 17.089 -4.218 -2.943 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.502 -2.530 -2.375 1.00 0.00 C ATOM 999 CE1 PHE A 66 16.315 -5.165 -2.301 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.725 -3.473 -1.731 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.133 -4.791 -1.692 1.00 0.00 C ATOM 0 H PHE A 66 17.875 -0.485 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 66 19.569 -2.086 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.900 -1.006 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.869 -2.284 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.015 -4.515 -3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.180 -1.499 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.634 -6.197 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.799 -3.179 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.529 -5.529 -1.186 1.00 0.00 H new ATOM 1011 N GLY A 67 18.584 1.049 -2.997 1.00 0.00 N ATOM 1012 CA GLY A 67 18.815 2.377 -3.549 1.00 0.00 C ATOM 1013 C GLY A 67 20.225 2.893 -3.344 1.00 0.00 C ATOM 1014 O GLY A 67 20.493 3.594 -2.369 1.00 0.00 O ATOM 0 H GLY A 67 17.924 1.026 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.598 2.358 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.114 3.076 -3.093 1.00 0.00 H new ATOM 1424 N GLU A 102 8.540 6.399 -6.532 1.00 0.00 N ATOM 1425 CA GLU A 102 8.168 7.393 -5.534 1.00 0.00 C ATOM 1426 C GLU A 102 6.904 8.125 -5.981 1.00 0.00 C ATOM 1427 O GLU A 102 6.947 9.277 -6.408 1.00 0.00 O ATOM 1428 CB GLU A 102 9.308 8.386 -5.303 1.00 0.00 C ATOM 1429 CG GLU A 102 10.106 8.694 -6.555 1.00 0.00 C ATOM 1430 CD GLU A 102 10.412 10.168 -6.699 1.00 0.00 C ATOM 1431 OE1 GLU A 102 11.046 10.743 -5.787 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.041 10.756 -7.736 1.00 0.00 O ATOM 0 HA GLU A 102 7.970 6.884 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.896 9.314 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.979 7.986 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.040 8.133 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.550 8.355 -7.429 1.00 0.00 H new ATOM 1439 N ARG A 103 5.793 7.418 -5.888 1.00 0.00 N ATOM 1440 CA ARG A 103 4.487 7.913 -6.292 1.00 0.00 C ATOM 1441 C ARG A 103 3.448 6.892 -5.861 1.00 0.00 C ATOM 1442 O ARG A 103 2.466 6.642 -6.557 1.00 0.00 O ATOM 1443 CB ARG A 103 4.426 8.123 -7.812 1.00 0.00 C ATOM 1444 CG ARG A 103 4.099 9.550 -8.223 1.00 0.00 C ATOM 1445 CD ARG A 103 4.906 9.978 -9.439 1.00 0.00 C ATOM 1446 NE ARG A 103 5.479 11.316 -9.278 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.773 11.555 -9.052 1.00 0.00 C ATOM 1448 NH1 ARG A 103 7.628 10.545 -8.954 1.00 0.00 N ATOM 1449 NH2 ARG A 103 7.206 12.803 -8.926 1.00 0.00 N ATOM 0 H ARG A 103 5.771 6.466 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 103 4.295 8.877 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.385 7.840 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.676 7.453 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.035 9.631 -8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.305 10.225 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.707 9.260 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.267 9.962 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 103 4.850 12.116 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.297 9.585 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.616 10.728 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.550 13.580 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.195 12.985 -8.753 1.00 0.00 H new ATOM 1463 N LEU A 104 3.774 6.188 -4.785 1.00 0.00 N ATOM 1464 CA LEU A 104 2.977 5.064 -4.333 1.00 0.00 C ATOM 1465 C LEU A 104 2.090 5.444 -3.155 1.00 0.00 C ATOM 1466 O LEU A 104 1.260 4.652 -2.719 1.00 0.00 O ATOM 1467 CB LEU A 104 3.894 3.903 -3.942 1.00 0.00 C ATOM 1468 CG LEU A 104 3.193 2.558 -3.746 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.132 1.787 -5.055 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.902 1.741 -2.677 1.00 0.00 C ATOM 0 H LEU A 104 4.592 6.381 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 104 2.328 4.759 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.657 3.788 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.410 4.164 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 104 2.172 2.748 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.629 0.834 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.579 2.367 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.144 1.607 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.391 0.787 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.934 1.562 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.890 2.288 -1.734 1.00 0.00 H new ATOM 1482 N ILE A 105 2.221 6.668 -2.663 1.00 0.00 N ATOM 1483 CA ILE A 105 1.364 7.110 -1.575 1.00 0.00 C ATOM 1484 C ILE A 105 0.384 8.173 -2.055 1.00 0.00 C ATOM 1485 O ILE A 105 0.640 9.376 -1.976 1.00 0.00 O ATOM 1486 CB ILE A 105 2.161 7.604 -0.343 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.865 6.414 0.310 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.241 8.291 0.667 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.497 6.723 1.649 1.00 0.00 C ATOM 0 H ILE A 105 2.897 7.358 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 105 0.800 6.237 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 105 2.900 8.334 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.144 5.607 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.637 6.047 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.827 8.628 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.760 9.148 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.480 7.587 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.974 5.825 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.244 7.507 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.729 7.060 2.345 1.00 0.00 H new ATOM 1500 N THR A 106 -0.756 7.704 -2.524 1.00 0.00 N ATOM 1501 CA THR A 106 -1.838 8.571 -2.940 1.00 0.00 C ATOM 1502 C THR A 106 -2.822 8.721 -1.788 1.00 0.00 C ATOM 1503 O THR A 106 -3.468 7.752 -1.396 1.00 0.00 O ATOM 1504 CB THR A 106 -2.558 7.973 -4.162 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.597 7.613 -5.166 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.579 8.938 -4.743 1.00 0.00 C ATOM 0 H THR A 106 -0.957 6.709 -2.627 1.00 0.00 H new ATOM 0 HA THR A 106 -1.436 9.546 -3.214 1.00 0.00 H new ATOM 0 HB THR A 106 -3.094 7.084 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.060 7.231 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.065 8.479 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.327 9.175 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.077 9.854 -5.056 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.814 9.875 -1.140 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.632 10.061 0.047 1.00 0.00 C ATOM 1516 C ARG A 107 -4.445 11.345 -0.030 1.00 0.00 C ATOM 1517 O ARG A 107 -3.902 12.450 0.028 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.757 10.057 1.307 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.409 10.701 2.527 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.470 9.805 3.151 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.545 9.978 4.602 1.00 0.00 N ATOM 1522 CZ ARG A 107 -5.324 9.259 5.410 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -6.127 8.327 4.916 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -5.300 9.489 6.717 1.00 0.00 N ATOM 0 H ARG A 107 -2.258 10.686 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.332 9.227 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.496 9.027 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.825 10.579 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.644 10.927 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.861 11.649 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.440 10.029 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.247 8.763 2.921 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.960 10.699 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.152 8.156 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.720 7.781 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.688 10.212 7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.893 8.943 7.342 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.756 11.175 -0.053 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.684 12.283 0.055 1.00 0.00 C ATOM 1540 C LEU A 108 -7.936 11.814 0.792 1.00 0.00 C ATOM 1541 O LEU A 108 -8.150 10.611 0.947 1.00 0.00 O ATOM 1542 CB LEU A 108 -6.993 12.917 -1.327 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.923 12.162 -2.305 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.691 10.658 -2.282 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.381 12.489 -2.023 1.00 0.00 C ATOM 0 H LEU A 108 -6.205 10.264 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.227 13.083 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.430 13.899 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.042 13.079 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.676 12.506 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.369 10.175 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.660 10.444 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.878 10.276 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.017 11.947 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.629 12.194 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.543 13.560 -2.140 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.692 12.750 1.334 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.866 12.424 2.129 1.00 0.00 C ATOM 1559 C GLU A 109 -10.983 13.403 1.827 1.00 0.00 C ATOM 1560 O GLU A 109 -10.779 14.351 1.071 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.541 12.446 3.618 1.00 0.00 C ATOM 1562 CG GLU A 109 -9.605 11.077 4.274 1.00 0.00 C ATOM 1563 CD GLU A 109 -10.979 10.761 4.834 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -11.934 11.517 4.542 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -11.108 9.760 5.572 1.00 0.00 O ATOM 0 H GLU A 109 -8.514 13.750 1.238 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.189 11.417 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.543 12.860 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.237 13.115 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.331 10.315 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.870 11.029 5.077 1.00 0.00 H new