USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 398 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 31 THR OG1 : rot -67:sc= 1.01 USER MOD Set 1.2: A 32 ASN : amide:sc= -2.42! C(o=-5.9!,f=-7.6!) USER MOD Set 1.3: A 43 LYS NZ :NH3+ -114:sc= -4.5! (180deg=-5.47!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 141:sc= -3.13! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc=-0.00521 (180deg=-0.00521) USER MOD Single : A 49 ASN : amide:sc=-0.00229 K(o=-0.0023,f=-1.6) USER MOD Single : A 50 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-0.825) USER MOD Single : A 57 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.13) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00763) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.457 -3.179 7.641 1.00 0.00 N ATOM 165 CA PRO A 14 -5.292 -1.745 7.382 1.00 0.00 C ATOM 166 C PRO A 14 -6.628 -1.025 7.236 1.00 0.00 C ATOM 167 O PRO A 14 -7.675 -1.659 7.104 1.00 0.00 O ATOM 168 CB PRO A 14 -4.519 -1.710 6.061 1.00 0.00 C ATOM 169 CG PRO A 14 -4.855 -2.998 5.391 1.00 0.00 C ATOM 170 CD PRO A 14 -5.038 -4.003 6.495 1.00 0.00 C ATOM 0 HA PRO A 14 -4.784 -1.238 8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.816 -0.857 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.446 -1.621 6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.763 -2.903 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.059 -3.304 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.791 -4.748 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.114 -4.542 6.704 1.00 0.00 H new ATOM 178 N SER A 15 -6.585 0.303 7.260 1.00 0.00 N ATOM 179 CA SER A 15 -7.794 1.110 7.135 1.00 0.00 C ATOM 180 C SER A 15 -7.808 1.863 5.808 1.00 0.00 C ATOM 181 O SER A 15 -6.762 2.249 5.289 1.00 0.00 O ATOM 182 CB SER A 15 -7.895 2.099 8.297 1.00 0.00 C ATOM 183 OG SER A 15 -7.903 1.424 9.543 1.00 0.00 O ATOM 0 H SER A 15 -5.726 0.843 7.365 1.00 0.00 H new ATOM 0 HA SER A 15 -8.654 0.440 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.055 2.793 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.804 2.692 8.196 1.00 0.00 H new ATOM 0 HG SER A 15 -7.966 2.079 10.269 1.00 0.00 H new ATOM 189 N GLY A 16 -9.004 2.067 5.264 1.00 0.00 N ATOM 190 CA GLY A 16 -9.134 2.772 4.002 1.00 0.00 C ATOM 191 C GLY A 16 -8.104 3.873 3.844 1.00 0.00 C ATOM 192 O GLY A 16 -7.504 4.023 2.780 1.00 0.00 O ATOM 0 H GLY A 16 -9.885 1.757 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.032 2.063 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.134 3.201 3.930 1.00 0.00 H new ATOM 196 N PHE A 17 -7.899 4.646 4.906 1.00 0.00 N ATOM 197 CA PHE A 17 -6.935 5.740 4.879 1.00 0.00 C ATOM 198 C PHE A 17 -5.530 5.221 4.593 1.00 0.00 C ATOM 199 O PHE A 17 -4.798 5.790 3.782 1.00 0.00 O ATOM 200 CB PHE A 17 -6.952 6.494 6.211 1.00 0.00 C ATOM 201 CG PHE A 17 -5.647 7.164 6.536 1.00 0.00 C ATOM 202 CD1 PHE A 17 -4.586 6.433 7.046 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.482 8.525 6.333 1.00 0.00 C ATOM 204 CE1 PHE A 17 -3.385 7.048 7.347 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.284 9.145 6.631 1.00 0.00 C ATOM 206 CZ PHE A 17 -3.233 8.405 7.138 1.00 0.00 C ATOM 0 H PHE A 17 -8.387 4.535 5.795 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.220 6.423 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.741 7.246 6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.203 5.797 7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.699 5.371 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.300 9.108 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.566 6.468 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.169 10.206 6.468 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.295 8.887 7.370 1.00 0.00 H new ATOM 216 N PHE A 18 -5.158 4.137 5.265 1.00 0.00 N ATOM 217 CA PHE A 18 -3.839 3.540 5.085 1.00 0.00 C ATOM 218 C PHE A 18 -3.614 3.149 3.628 1.00 0.00 C ATOM 219 O PHE A 18 -2.603 3.512 3.025 1.00 0.00 O ATOM 220 CB PHE A 18 -3.684 2.312 5.984 1.00 0.00 C ATOM 221 CG PHE A 18 -2.284 1.771 6.024 1.00 0.00 C ATOM 222 CD1 PHE A 18 -1.366 2.254 6.944 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.884 0.779 5.143 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.077 1.758 6.982 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.596 0.280 5.177 1.00 0.00 C ATOM 226 CZ PHE A 18 0.308 0.769 6.098 1.00 0.00 C ATOM 0 H PHE A 18 -5.751 3.653 5.939 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.091 4.282 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.994 2.571 6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.358 1.529 5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.662 3.026 7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.587 0.391 4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.629 2.143 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.297 -0.492 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.315 0.379 6.127 1.00 0.00 H new ATOM 236 N LEU A 19 -4.562 2.407 3.067 1.00 0.00 N ATOM 237 CA LEU A 19 -4.468 1.965 1.680 1.00 0.00 C ATOM 238 C LEU A 19 -4.205 3.144 0.749 1.00 0.00 C ATOM 239 O LEU A 19 -3.140 3.243 0.140 1.00 0.00 O ATOM 240 CB LEU A 19 -5.754 1.249 1.264 1.00 0.00 C ATOM 241 CG LEU A 19 -5.866 -0.221 1.671 1.00 0.00 C ATOM 242 CD1 LEU A 19 -5.837 -0.360 3.185 1.00 0.00 C ATOM 243 CD2 LEU A 19 -7.135 -0.837 1.101 1.00 0.00 C ATOM 0 H LEU A 19 -5.405 2.099 3.551 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.631 1.271 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.600 1.788 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.847 1.313 0.180 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.010 -0.757 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.918 -1.413 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.900 0.042 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.673 0.191 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.198 -1.883 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.003 -0.298 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.114 -0.772 0.013 1.00 0.00 H new ATOM 255 N PHE A 20 -5.183 4.038 0.646 1.00 0.00 N ATOM 256 CA PHE A 20 -5.057 5.213 -0.210 1.00 0.00 C ATOM 257 C PHE A 20 -3.775 5.979 0.103 1.00 0.00 C ATOM 258 O PHE A 20 -3.109 6.490 -0.798 1.00 0.00 O ATOM 259 CB PHE A 20 -6.269 6.130 -0.034 1.00 0.00 C ATOM 260 CG PHE A 20 -5.986 7.567 -0.366 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.348 8.390 0.548 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.359 8.096 -1.591 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.085 9.713 0.246 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.099 9.418 -1.899 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.462 10.228 -0.979 1.00 0.00 C ATOM 0 H PHE A 20 -6.071 3.972 1.144 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.013 4.875 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.081 5.772 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.617 6.065 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.053 7.993 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.859 7.468 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.585 10.343 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.394 9.817 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.259 11.262 -1.217 1.00 0.00 H new ATOM 275 N CYS A 21 -3.437 6.055 1.386 1.00 0.00 N ATOM 276 CA CYS A 21 -2.236 6.760 1.819 1.00 0.00 C ATOM 277 C CYS A 21 -0.985 6.116 1.230 1.00 0.00 C ATOM 278 O CYS A 21 0.034 6.779 1.039 1.00 0.00 O ATOM 279 CB CYS A 21 -2.148 6.770 3.346 1.00 0.00 C ATOM 280 SG CYS A 21 -2.980 8.175 4.124 1.00 0.00 S ATOM 0 H CYS A 21 -3.977 5.637 2.144 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.298 7.787 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.581 5.847 3.730 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.098 6.776 3.639 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.570 7.781 5.213 1.00 0.00 H new ATOM 286 N SER A 22 -1.071 4.821 0.945 1.00 0.00 N ATOM 287 CA SER A 22 0.056 4.086 0.383 1.00 0.00 C ATOM 288 C SER A 22 0.047 4.160 -1.141 1.00 0.00 C ATOM 289 O SER A 22 1.084 4.012 -1.786 1.00 0.00 O ATOM 290 CB SER A 22 0.015 2.624 0.834 1.00 0.00 C ATOM 291 OG SER A 22 1.294 2.023 0.734 1.00 0.00 O ATOM 0 H SER A 22 -1.909 4.259 1.094 1.00 0.00 H new ATOM 0 HA SER A 22 0.975 4.545 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.337 2.568 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.699 2.072 0.223 1.00 0.00 H new ATOM 0 HG SER A 22 1.241 1.090 1.029 1.00 0.00 H new ATOM 297 N GLU A 23 -1.133 4.391 -1.709 1.00 0.00 N ATOM 298 CA GLU A 23 -1.277 4.484 -3.157 1.00 0.00 C ATOM 299 C GLU A 23 -0.943 5.889 -3.648 1.00 0.00 C ATOM 300 O GLU A 23 -0.503 6.074 -4.783 1.00 0.00 O ATOM 301 CB GLU A 23 -2.702 4.112 -3.574 1.00 0.00 C ATOM 302 CG GLU A 23 -2.942 4.208 -5.072 1.00 0.00 C ATOM 303 CD GLU A 23 -2.604 2.922 -5.801 1.00 0.00 C ATOM 304 OE1 GLU A 23 -3.364 1.941 -5.658 1.00 0.00 O ATOM 305 OE2 GLU A 23 -1.580 2.897 -6.514 1.00 0.00 O ATOM 0 H GLU A 23 -2.002 4.517 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.577 3.783 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.914 3.095 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.405 4.767 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.987 4.460 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.342 5.021 -5.481 1.00 0.00 H new ATOM 312 N PHE A 24 -1.155 6.877 -2.785 1.00 0.00 N ATOM 313 CA PHE A 24 -0.878 8.267 -3.130 1.00 0.00 C ATOM 314 C PHE A 24 0.524 8.669 -2.681 1.00 0.00 C ATOM 315 O PHE A 24 1.077 9.663 -3.153 1.00 0.00 O ATOM 316 CB PHE A 24 -1.916 9.190 -2.489 1.00 0.00 C ATOM 317 CG PHE A 24 -3.118 9.434 -3.356 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.952 8.388 -3.717 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.415 10.709 -3.809 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.058 8.609 -4.515 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.520 10.937 -4.607 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.343 9.885 -4.960 1.00 0.00 C ATOM 0 H PHE A 24 -1.518 6.741 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.935 8.365 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.242 8.756 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.446 10.145 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.735 7.388 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.775 11.535 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.699 7.785 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.740 11.936 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.208 10.060 -5.583 1.00 0.00 H new ATOM 332 N ARG A 25 1.092 7.891 -1.766 1.00 0.00 N ATOM 333 CA ARG A 25 2.428 8.167 -1.251 1.00 0.00 C ATOM 334 C ARG A 25 3.424 8.347 -2.393 1.00 0.00 C ATOM 335 O ARG A 25 4.239 9.269 -2.399 1.00 0.00 O ATOM 336 CB ARG A 25 2.888 7.033 -0.333 1.00 0.00 C ATOM 337 CG ARG A 25 3.800 7.493 0.793 1.00 0.00 C ATOM 338 CD ARG A 25 3.844 6.478 1.924 1.00 0.00 C ATOM 339 NE ARG A 25 4.795 5.402 1.658 1.00 0.00 N ATOM 340 CZ ARG A 25 6.113 5.560 1.697 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.634 6.744 1.990 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.913 4.533 1.443 1.00 0.00 N ATOM 0 H ARG A 25 0.648 7.064 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 25 2.386 9.094 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.012 6.546 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.409 6.284 -0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.806 7.652 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.451 8.452 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.116 6.981 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.850 6.055 2.070 1.00 0.00 H new ATOM 0 HE ARG A 25 4.427 4.479 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.022 7.536 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.647 6.862 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.516 3.621 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.925 4.655 1.473 1.00 0.00 H new ATOM 356 N PRO A 26 3.359 7.444 -3.383 1.00 0.00 N ATOM 357 CA PRO A 26 4.247 7.482 -4.548 1.00 0.00 C ATOM 358 C PRO A 26 4.331 8.872 -5.169 1.00 0.00 C ATOM 359 O PRO A 26 5.416 9.437 -5.308 1.00 0.00 O ATOM 360 CB PRO A 26 3.594 6.499 -5.524 1.00 0.00 C ATOM 361 CG PRO A 26 2.835 5.554 -4.658 1.00 0.00 C ATOM 362 CD PRO A 26 2.412 6.318 -3.441 1.00 0.00 C ATOM 0 HA PRO A 26 5.274 7.226 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.934 7.014 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.342 5.976 -6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.967 5.159 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.455 4.701 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.382 6.666 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.468 5.702 -2.543 1.00 0.00 H new ATOM 370 N LYS A 27 3.178 9.420 -5.540 1.00 0.00 N ATOM 371 CA LYS A 27 3.120 10.745 -6.144 1.00 0.00 C ATOM 372 C LYS A 27 3.852 11.769 -5.282 1.00 0.00 C ATOM 373 O LYS A 27 4.761 12.453 -5.752 1.00 0.00 O ATOM 374 CB LYS A 27 1.665 11.175 -6.341 1.00 0.00 C ATOM 375 CG LYS A 27 0.846 10.194 -7.162 1.00 0.00 C ATOM 376 CD LYS A 27 -0.645 10.396 -6.949 1.00 0.00 C ATOM 377 CE LYS A 27 -1.464 9.604 -7.956 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.836 10.161 -8.115 1.00 0.00 N ATOM 0 H LYS A 27 2.271 8.966 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 27 3.612 10.696 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.196 11.299 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.646 12.149 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.083 10.316 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.118 9.174 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.914 10.090 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.886 11.456 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.956 9.608 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.529 8.565 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.363 9.594 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.330 10.134 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.775 11.145 -8.447 1.00 0.00 H new ATOM 392 N ILE A 28 3.450 11.868 -4.019 1.00 0.00 N ATOM 393 CA ILE A 28 4.069 12.806 -3.092 1.00 0.00 C ATOM 394 C ILE A 28 5.589 12.695 -3.131 1.00 0.00 C ATOM 395 O ILE A 28 6.294 13.699 -3.234 1.00 0.00 O ATOM 396 CB ILE A 28 3.586 12.573 -1.648 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.060 12.670 -1.576 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.231 13.577 -0.705 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.503 12.410 -0.194 1.00 0.00 C ATOM 0 H ILE A 28 2.698 11.310 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 28 3.771 13.805 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 28 3.883 11.571 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.751 13.663 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.625 11.955 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.880 13.399 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.315 13.464 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.962 14.588 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.417 12.495 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.781 11.406 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.909 13.141 0.505 1.00 0.00 H new ATOM 411 N LYS A 29 6.090 11.466 -3.050 1.00 0.00 N ATOM 412 CA LYS A 29 7.527 11.221 -3.079 1.00 0.00 C ATOM 413 C LYS A 29 8.100 11.512 -4.463 1.00 0.00 C ATOM 414 O LYS A 29 9.315 11.622 -4.631 1.00 0.00 O ATOM 415 CB LYS A 29 7.826 9.773 -2.686 1.00 0.00 C ATOM 416 CG LYS A 29 7.467 9.447 -1.246 1.00 0.00 C ATOM 417 CD LYS A 29 8.362 8.357 -0.681 1.00 0.00 C ATOM 418 CE LYS A 29 9.621 8.938 -0.057 1.00 0.00 C ATOM 419 NZ LYS A 29 10.643 7.889 0.209 1.00 0.00 N ATOM 0 H LYS A 29 5.521 10.624 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 29 8.000 11.891 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.277 9.105 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.887 9.575 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.557 10.345 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.426 9.128 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.813 7.786 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.635 7.662 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.040 9.693 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.365 9.441 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.486 8.325 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.252 7.181 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.906 7.426 -0.684 1.00 0.00 H new ATOM 433 N SER A 30 7.219 11.637 -5.450 1.00 0.00 N ATOM 434 CA SER A 30 7.638 11.913 -6.819 1.00 0.00 C ATOM 435 C SER A 30 7.541 13.404 -7.126 1.00 0.00 C ATOM 436 O SER A 30 8.202 13.907 -8.035 1.00 0.00 O ATOM 437 CB SER A 30 6.780 11.120 -7.807 1.00 0.00 C ATOM 438 OG SER A 30 7.313 9.824 -8.019 1.00 0.00 O ATOM 0 H SER A 30 6.210 11.551 -5.327 1.00 0.00 H new ATOM 0 HA SER A 30 8.678 11.605 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.762 11.040 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.725 11.654 -8.756 1.00 0.00 H new ATOM 0 HG SER A 30 6.746 9.337 -8.653 1.00 0.00 H new ATOM 444 N THR A 31 6.712 14.107 -6.361 1.00 0.00 N ATOM 445 CA THR A 31 6.526 15.540 -6.551 1.00 0.00 C ATOM 446 C THR A 31 7.387 16.340 -5.580 1.00 0.00 C ATOM 447 O THR A 31 7.842 17.437 -5.898 1.00 0.00 O ATOM 448 CB THR A 31 5.052 15.945 -6.366 1.00 0.00 C ATOM 449 OG1 THR A 31 4.401 15.031 -5.477 1.00 0.00 O ATOM 450 CG2 THR A 31 4.324 15.966 -7.702 1.00 0.00 C ATOM 0 H THR A 31 6.158 13.707 -5.604 1.00 0.00 H new ATOM 0 HA THR A 31 6.831 15.765 -7.573 1.00 0.00 H new ATOM 0 HB THR A 31 5.025 16.948 -5.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.341 14.149 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.285 16.255 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.804 16.684 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.361 14.974 -8.152 1.00 0.00 H new ATOM 458 N ASN A 32 7.606 15.782 -4.394 1.00 0.00 N ATOM 459 CA ASN A 32 8.413 16.444 -3.375 1.00 0.00 C ATOM 460 C ASN A 32 9.782 15.781 -3.250 1.00 0.00 C ATOM 461 O ASN A 32 9.970 14.827 -2.494 1.00 0.00 O ATOM 462 CB ASN A 32 7.694 16.413 -2.025 1.00 0.00 C ATOM 463 CG ASN A 32 6.413 17.225 -2.034 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.397 18.384 -1.618 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.332 16.619 -2.510 1.00 0.00 N ATOM 0 H ASN A 32 7.236 14.873 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 32 8.557 17.481 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.465 15.380 -1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.360 16.798 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.441 17.115 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.392 15.657 -2.844 1.00 0.00 H new ATOM 472 N PRO A 33 10.761 16.297 -4.007 1.00 0.00 N ATOM 473 CA PRO A 33 12.130 15.772 -3.998 1.00 0.00 C ATOM 474 C PRO A 33 12.854 16.065 -2.688 1.00 0.00 C ATOM 475 O PRO A 33 13.066 17.223 -2.331 1.00 0.00 O ATOM 476 CB PRO A 33 12.801 16.511 -5.158 1.00 0.00 C ATOM 477 CG PRO A 33 12.024 17.774 -5.302 1.00 0.00 C ATOM 478 CD PRO A 33 10.608 17.434 -4.930 1.00 0.00 C ATOM 0 HA PRO A 33 12.152 14.687 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.850 16.714 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.771 15.921 -6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.422 18.553 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.079 18.152 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.105 18.275 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.016 17.164 -5.805 1.00 0.00 H new ATOM 486 N GLY A 34 13.233 15.007 -1.977 1.00 0.00 N ATOM 487 CA GLY A 34 13.930 15.173 -0.715 1.00 0.00 C ATOM 488 C GLY A 34 12.981 15.273 0.463 1.00 0.00 C ATOM 489 O GLY A 34 13.316 15.863 1.490 1.00 0.00 O ATOM 0 H GLY A 34 13.070 14.039 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.605 14.331 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.546 16.071 -0.759 1.00 0.00 H new ATOM 493 N ILE A 35 11.793 14.696 0.314 1.00 0.00 N ATOM 494 CA ILE A 35 10.793 14.723 1.374 1.00 0.00 C ATOM 495 C ILE A 35 10.909 13.495 2.271 1.00 0.00 C ATOM 496 O ILE A 35 10.939 12.363 1.789 1.00 0.00 O ATOM 497 CB ILE A 35 9.366 14.793 0.800 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.343 14.920 1.931 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.076 13.565 -0.049 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.945 15.235 1.449 1.00 0.00 C ATOM 0 H ILE A 35 11.500 14.204 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 35 10.983 15.620 1.964 1.00 0.00 H new ATOM 0 HB ILE A 35 9.288 15.676 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.322 13.989 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.667 15.703 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.064 13.629 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.788 13.516 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.168 12.669 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.274 15.310 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.951 16.181 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.601 14.441 0.787 1.00 0.00 H new ATOM 512 N SER A 36 10.971 13.728 3.578 1.00 0.00 N ATOM 513 CA SER A 36 11.085 12.641 4.543 1.00 0.00 C ATOM 514 C SER A 36 9.709 12.206 5.036 1.00 0.00 C ATOM 515 O SER A 36 8.789 13.018 5.138 1.00 0.00 O ATOM 516 CB SER A 36 11.952 13.071 5.728 1.00 0.00 C ATOM 517 OG SER A 36 13.287 13.315 5.322 1.00 0.00 O ATOM 0 H SER A 36 10.944 14.659 3.993 1.00 0.00 H new ATOM 0 HA SER A 36 11.558 11.794 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.536 13.972 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.938 12.295 6.493 1.00 0.00 H new ATOM 0 HG SER A 36 13.820 13.590 6.097 1.00 0.00 H new ATOM 523 N ILE A 37 9.576 10.919 5.342 1.00 0.00 N ATOM 524 CA ILE A 37 8.313 10.376 5.825 1.00 0.00 C ATOM 525 C ILE A 37 7.568 11.394 6.681 1.00 0.00 C ATOM 526 O ILE A 37 6.346 11.515 6.599 1.00 0.00 O ATOM 527 CB ILE A 37 8.531 9.092 6.648 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.222 8.025 5.796 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.204 8.574 7.182 1.00 0.00 C ATOM 530 CD1 ILE A 37 8.425 7.616 4.577 1.00 0.00 C ATOM 0 H ILE A 37 10.328 10.234 5.264 1.00 0.00 H new ATOM 0 HA ILE A 37 7.715 10.138 4.945 1.00 0.00 H new ATOM 0 HB ILE A 37 9.175 9.326 7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.194 8.401 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.408 7.144 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.374 7.667 7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.748 9.331 7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.538 8.353 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.975 6.857 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.463 7.210 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.262 8.486 3.941 1.00 0.00 H new ATOM 542 N GLY A 38 8.314 12.127 7.503 1.00 0.00 N ATOM 543 CA GLY A 38 7.707 13.128 8.361 1.00 0.00 C ATOM 544 C GLY A 38 6.693 13.984 7.627 1.00 0.00 C ATOM 545 O GLY A 38 5.513 13.997 7.977 1.00 0.00 O ATOM 0 H GLY A 38 9.327 12.045 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.220 12.634 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.486 13.768 8.775 1.00 0.00 H new ATOM 549 N ASP A 39 7.154 14.701 6.609 1.00 0.00 N ATOM 550 CA ASP A 39 6.280 15.565 5.824 1.00 0.00 C ATOM 551 C ASP A 39 5.107 14.774 5.251 1.00 0.00 C ATOM 552 O ASP A 39 3.948 15.051 5.560 1.00 0.00 O ATOM 553 CB ASP A 39 7.065 16.228 4.691 1.00 0.00 C ATOM 554 CG ASP A 39 6.511 17.591 4.324 1.00 0.00 C ATOM 555 OD1 ASP A 39 5.924 18.251 5.207 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.664 17.997 3.153 1.00 0.00 O ATOM 0 H ASP A 39 8.128 14.701 6.308 1.00 0.00 H new ATOM 0 HA ASP A 39 5.887 16.338 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.109 16.331 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.045 15.582 3.813 1.00 0.00 H new ATOM 561 N VAL A 40 5.417 13.789 4.414 1.00 0.00 N ATOM 562 CA VAL A 40 4.389 12.959 3.797 1.00 0.00 C ATOM 563 C VAL A 40 3.214 12.744 4.745 1.00 0.00 C ATOM 564 O VAL A 40 2.079 13.104 4.434 1.00 0.00 O ATOM 565 CB VAL A 40 4.953 11.588 3.378 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.847 10.704 2.821 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.071 11.761 2.361 1.00 0.00 C ATOM 0 H VAL A 40 6.371 13.546 4.148 1.00 0.00 H new ATOM 0 HA VAL A 40 4.044 13.489 2.909 1.00 0.00 H new ATOM 0 HB VAL A 40 5.367 11.099 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.264 9.740 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.083 10.554 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.401 11.184 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.458 10.783 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.684 12.270 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.873 12.355 2.799 1.00 0.00 H new ATOM 577 N ALA A 41 3.495 12.156 5.903 1.00 0.00 N ATOM 578 CA ALA A 41 2.462 11.896 6.898 1.00 0.00 C ATOM 579 C ALA A 41 1.526 13.091 7.042 1.00 0.00 C ATOM 580 O ALA A 41 0.305 12.936 7.077 1.00 0.00 O ATOM 581 CB ALA A 41 3.095 11.553 8.238 1.00 0.00 C ATOM 0 H ALA A 41 4.429 11.851 6.175 1.00 0.00 H new ATOM 0 HA ALA A 41 1.871 11.045 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.312 11.361 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.717 10.664 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.710 12.388 8.574 1.00 0.00 H new ATOM 587 N LYS A 42 2.105 14.283 7.127 1.00 0.00 N ATOM 588 CA LYS A 42 1.323 15.506 7.268 1.00 0.00 C ATOM 589 C LYS A 42 0.351 15.667 6.104 1.00 0.00 C ATOM 590 O LYS A 42 -0.858 15.786 6.304 1.00 0.00 O ATOM 591 CB LYS A 42 2.249 16.722 7.344 1.00 0.00 C ATOM 592 CG LYS A 42 1.683 17.867 8.166 1.00 0.00 C ATOM 593 CD LYS A 42 2.082 17.754 9.628 1.00 0.00 C ATOM 594 CE LYS A 42 1.880 19.070 10.364 1.00 0.00 C ATOM 595 NZ LYS A 42 2.452 19.030 11.738 1.00 0.00 N ATOM 0 H LYS A 42 3.114 14.429 7.101 1.00 0.00 H new ATOM 0 HA LYS A 42 0.749 15.436 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.203 16.415 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.452 17.077 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.038 18.816 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.596 17.873 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.492 16.973 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.127 17.453 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.347 19.877 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.815 19.295 10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.294 19.945 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.989 18.276 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.473 18.841 11.684 1.00 0.00 H new ATOM 609 N LYS A 43 0.885 15.668 4.888 1.00 0.00 N ATOM 610 CA LYS A 43 0.065 15.811 3.691 1.00 0.00 C ATOM 611 C LYS A 43 -0.988 14.710 3.618 1.00 0.00 C ATOM 612 O LYS A 43 -2.188 14.986 3.581 1.00 0.00 O ATOM 613 CB LYS A 43 0.944 15.774 2.438 1.00 0.00 C ATOM 614 CG LYS A 43 1.481 17.135 2.033 1.00 0.00 C ATOM 615 CD LYS A 43 2.434 17.030 0.853 1.00 0.00 C ATOM 616 CE LYS A 43 3.841 16.668 1.304 1.00 0.00 C ATOM 617 NZ LYS A 43 4.870 17.125 0.329 1.00 0.00 N ATOM 0 H LYS A 43 1.884 15.571 4.705 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.444 16.774 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.782 15.099 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.367 15.360 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.651 17.792 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.996 17.590 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.069 16.276 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.456 17.978 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.038 17.118 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.915 15.588 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.334 16.298 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.415 17.691 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.580 17.705 0.820 1.00 0.00 H new ATOM 631 N LEU A 44 -0.532 13.462 3.600 1.00 0.00 N ATOM 632 CA LEU A 44 -1.436 12.318 3.534 1.00 0.00 C ATOM 633 C LEU A 44 -2.714 12.588 4.322 1.00 0.00 C ATOM 634 O LEU A 44 -3.819 12.429 3.806 1.00 0.00 O ATOM 635 CB LEU A 44 -0.745 11.065 4.074 1.00 0.00 C ATOM 636 CG LEU A 44 0.253 10.390 3.132 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.830 9.138 3.774 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.410 10.055 1.805 1.00 0.00 C ATOM 0 H LEU A 44 0.458 13.216 3.630 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.702 12.156 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.224 11.330 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.512 10.338 4.340 1.00 0.00 H new ATOM 0 HG LEU A 44 1.071 11.085 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.538 8.671 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.342 9.406 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.024 8.438 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.315 9.575 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.247 9.379 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.773 10.971 1.338 1.00 0.00 H new ATOM 650 N GLY A 45 -2.554 12.998 5.577 1.00 0.00 N ATOM 651 CA GLY A 45 -3.703 13.285 6.415 1.00 0.00 C ATOM 652 C GLY A 45 -4.673 14.248 5.760 1.00 0.00 C ATOM 653 O GLY A 45 -5.879 14.005 5.740 1.00 0.00 O ATOM 0 H GLY A 45 -1.649 13.136 6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.221 12.354 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.363 13.705 7.362 1.00 0.00 H new ATOM 657 N GLU A 46 -4.146 15.344 5.224 1.00 0.00 N ATOM 658 CA GLU A 46 -4.975 16.347 4.567 1.00 0.00 C ATOM 659 C GLU A 46 -5.699 15.752 3.363 1.00 0.00 C ATOM 660 O GLU A 46 -6.827 16.133 3.052 1.00 0.00 O ATOM 661 CB GLU A 46 -4.121 17.537 4.124 1.00 0.00 C ATOM 662 CG GLU A 46 -3.794 18.504 5.251 1.00 0.00 C ATOM 663 CD GLU A 46 -3.626 19.930 4.764 1.00 0.00 C ATOM 664 OE1 GLU A 46 -4.647 20.635 4.625 1.00 0.00 O ATOM 665 OE2 GLU A 46 -2.471 20.342 4.524 1.00 0.00 O ATOM 0 H GLU A 46 -3.149 15.560 5.232 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.720 16.690 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.191 17.166 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.645 18.076 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.588 18.470 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.878 18.183 5.746 1.00 0.00 H new ATOM 672 N MET A 47 -5.041 14.814 2.689 1.00 0.00 N ATOM 673 CA MET A 47 -5.622 14.164 1.519 1.00 0.00 C ATOM 674 C MET A 47 -6.905 13.427 1.888 1.00 0.00 C ATOM 675 O MET A 47 -7.954 13.646 1.282 1.00 0.00 O ATOM 676 CB MET A 47 -4.619 13.189 0.901 1.00 0.00 C ATOM 677 CG MET A 47 -3.227 13.775 0.730 1.00 0.00 C ATOM 678 SD MET A 47 -2.078 12.622 -0.047 1.00 0.00 S ATOM 679 CE MET A 47 -1.972 13.310 -1.697 1.00 0.00 C ATOM 0 H MET A 47 -4.106 14.487 2.932 1.00 0.00 H new ATOM 0 HA MET A 47 -5.865 14.935 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.555 12.300 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.990 12.867 -0.072 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.290 14.681 0.127 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.838 14.068 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.296 12.705 -2.301 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.962 13.314 -2.154 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.594 14.331 -1.642 1.00 0.00 H new ATOM 689 N TRP A 48 -6.815 12.553 2.884 1.00 0.00 N ATOM 690 CA TRP A 48 -7.970 11.784 3.332 1.00 0.00 C ATOM 691 C TRP A 48 -9.161 12.696 3.600 1.00 0.00 C ATOM 692 O TRP A 48 -10.270 12.437 3.134 1.00 0.00 O ATOM 693 CB TRP A 48 -7.623 10.994 4.595 1.00 0.00 C ATOM 694 CG TRP A 48 -8.722 10.081 5.046 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.434 10.166 6.209 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.235 8.944 4.343 1.00 0.00 C ATOM 697 NE1 TRP A 48 -10.357 9.151 6.271 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.256 8.388 5.138 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.932 8.343 3.118 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.973 7.260 4.746 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.644 7.223 2.731 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.655 6.692 3.543 1.00 0.00 C ATOM 0 H TRP A 48 -5.955 12.359 3.396 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.241 11.088 2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.724 10.405 4.411 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.388 11.692 5.398 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.292 10.921 6.968 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.012 8.991 7.037 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.155 8.746 2.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.753 6.848 5.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.417 6.749 1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.194 5.817 3.212 1.00 0.00 H new ATOM 713 N ASN A 49 -8.925 13.766 4.353 1.00 0.00 N ATOM 714 CA ASN A 49 -9.981 14.717 4.682 1.00 0.00 C ATOM 715 C ASN A 49 -10.424 15.488 3.443 1.00 0.00 C ATOM 716 O ASN A 49 -11.535 16.013 3.391 1.00 0.00 O ATOM 717 CB ASN A 49 -9.500 15.691 5.759 1.00 0.00 C ATOM 718 CG ASN A 49 -10.643 16.453 6.402 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.813 16.157 6.162 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.307 17.440 7.225 1.00 0.00 N ATOM 0 H ASN A 49 -8.013 13.996 4.747 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.835 14.157 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.957 15.140 6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.798 16.399 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.033 17.988 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.323 17.650 7.394 1.00 0.00 H new ATOM 727 N ASN A 50 -9.545 15.553 2.448 1.00 0.00 N ATOM 728 CA ASN A 50 -9.846 16.261 1.208 1.00 0.00 C ATOM 729 C ASN A 50 -10.730 15.413 0.298 1.00 0.00 C ATOM 730 O ASN A 50 -11.500 15.941 -0.505 1.00 0.00 O ATOM 731 CB ASN A 50 -8.551 16.630 0.481 1.00 0.00 C ATOM 732 CG ASN A 50 -8.023 17.990 0.895 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.683 19.010 0.699 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.827 18.009 1.471 1.00 0.00 N ATOM 0 H ASN A 50 -8.620 15.125 2.476 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.386 17.173 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.795 15.872 0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.727 16.624 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.420 18.895 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.316 17.138 1.613 1.00 0.00 H new ATOM 741 N LEU A 51 -10.614 14.096 0.430 1.00 0.00 N ATOM 742 CA LEU A 51 -11.403 13.174 -0.380 1.00 0.00 C ATOM 743 C LEU A 51 -12.888 13.303 -0.059 1.00 0.00 C ATOM 744 O LEU A 51 -13.269 13.941 0.921 1.00 0.00 O ATOM 745 CB LEU A 51 -10.941 11.735 -0.144 1.00 0.00 C ATOM 746 CG LEU A 51 -9.575 11.364 -0.723 1.00 0.00 C ATOM 747 CD1 LEU A 51 -8.964 10.206 0.050 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.699 11.017 -2.200 1.00 0.00 C ATOM 0 H LEU A 51 -9.982 13.643 1.090 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.253 13.430 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.919 11.553 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.687 11.061 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.914 12.226 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.992 9.956 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.839 10.491 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.622 9.339 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.718 10.755 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.376 10.171 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.092 11.876 -2.744 1.00 0.00 H new ATOM 760 N ASN A 52 -13.723 12.689 -0.892 1.00 0.00 N ATOM 761 CA ASN A 52 -15.168 12.734 -0.697 1.00 0.00 C ATOM 762 C ASN A 52 -15.691 11.389 -0.201 1.00 0.00 C ATOM 763 O ASN A 52 -15.066 10.351 -0.415 1.00 0.00 O ATOM 764 CB ASN A 52 -15.868 13.117 -2.002 1.00 0.00 C ATOM 765 CG ASN A 52 -15.706 14.587 -2.335 1.00 0.00 C ATOM 766 OD1 ASN A 52 -16.156 15.457 -1.589 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.061 14.871 -3.460 1.00 0.00 N ATOM 0 H ASN A 52 -13.424 12.155 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.385 13.489 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.465 12.516 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.929 12.879 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.921 15.843 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.705 14.117 -4.048 1.00 0.00 H new ATOM 774 N ASP A 53 -16.842 11.417 0.462 1.00 0.00 N ATOM 775 CA ASP A 53 -17.452 10.200 0.987 1.00 0.00 C ATOM 776 C ASP A 53 -17.613 9.155 -0.113 1.00 0.00 C ATOM 777 O ASP A 53 -17.700 7.959 0.162 1.00 0.00 O ATOM 778 CB ASP A 53 -18.811 10.514 1.612 1.00 0.00 C ATOM 779 CG ASP A 53 -18.684 11.201 2.958 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.239 10.542 3.920 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.031 12.398 3.049 1.00 0.00 O ATOM 0 H ASP A 53 -17.371 12.269 0.649 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.793 9.795 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.381 11.150 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.375 9.589 1.731 1.00 0.00 H new ATOM 786 N SER A 54 -17.654 9.616 -1.359 1.00 0.00 N ATOM 787 CA SER A 54 -17.810 8.722 -2.500 1.00 0.00 C ATOM 788 C SER A 54 -16.459 8.179 -2.954 1.00 0.00 C ATOM 789 O SER A 54 -16.372 7.082 -3.505 1.00 0.00 O ATOM 790 CB SER A 54 -18.495 9.452 -3.657 1.00 0.00 C ATOM 791 OG SER A 54 -18.847 8.551 -4.692 1.00 0.00 O ATOM 0 H SER A 54 -17.581 10.604 -1.604 1.00 0.00 H new ATOM 0 HA SER A 54 -18.433 7.883 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.388 9.959 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.830 10.221 -4.051 1.00 0.00 H new ATOM 0 HG SER A 54 -19.284 9.042 -5.419 1.00 0.00 H new ATOM 797 N GLU A 55 -15.407 8.957 -2.719 1.00 0.00 N ATOM 798 CA GLU A 55 -14.059 8.555 -3.105 1.00 0.00 C ATOM 799 C GLU A 55 -13.502 7.517 -2.135 1.00 0.00 C ATOM 800 O GLU A 55 -12.762 6.616 -2.530 1.00 0.00 O ATOM 801 CB GLU A 55 -13.134 9.773 -3.152 1.00 0.00 C ATOM 802 CG GLU A 55 -13.411 10.704 -4.320 1.00 0.00 C ATOM 803 CD GLU A 55 -13.078 10.076 -5.659 1.00 0.00 C ATOM 804 OE1 GLU A 55 -11.878 9.999 -5.997 1.00 0.00 O ATOM 805 OE2 GLU A 55 -14.018 9.660 -6.369 1.00 0.00 O ATOM 0 H GLU A 55 -15.462 9.868 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.111 8.108 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.235 10.331 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.100 9.432 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.462 10.991 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.830 11.618 -4.197 1.00 0.00 H new ATOM 812 N LYS A 56 -13.864 7.650 -0.864 1.00 0.00 N ATOM 813 CA LYS A 56 -13.403 6.724 0.164 1.00 0.00 C ATOM 814 C LYS A 56 -14.190 5.419 0.113 1.00 0.00 C ATOM 815 O LYS A 56 -13.729 4.387 0.600 1.00 0.00 O ATOM 816 CB LYS A 56 -13.538 7.360 1.550 1.00 0.00 C ATOM 817 CG LYS A 56 -12.865 8.717 1.664 1.00 0.00 C ATOM 818 CD LYS A 56 -13.093 9.339 3.032 1.00 0.00 C ATOM 819 CE LYS A 56 -12.319 10.638 3.189 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.110 11.814 2.734 1.00 0.00 N ATOM 0 H LYS A 56 -14.476 8.390 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.353 6.502 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.596 7.467 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.109 6.687 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.795 8.610 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.252 9.382 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.157 9.529 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.788 8.637 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.040 10.770 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.393 10.580 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.464 12.573 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.712 11.538 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.708 12.153 3.514 1.00 0.00 H new ATOM 834 N GLN A 57 -15.379 5.472 -0.480 1.00 0.00 N ATOM 835 CA GLN A 57 -16.228 4.293 -0.594 1.00 0.00 C ATOM 836 C GLN A 57 -15.417 3.077 -1.029 1.00 0.00 C ATOM 837 O GLN A 57 -15.369 2.055 -0.345 1.00 0.00 O ATOM 838 CB GLN A 57 -17.361 4.549 -1.590 1.00 0.00 C ATOM 839 CG GLN A 57 -18.638 5.058 -0.942 1.00 0.00 C ATOM 840 CD GLN A 57 -19.330 4.001 -0.105 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.019 3.127 -0.633 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.150 4.074 1.209 1.00 0.00 N ATOM 0 H GLN A 57 -15.775 6.319 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.656 4.088 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.025 5.275 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.579 3.625 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.404 5.918 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.320 5.406 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.571 4.815 1.604 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.591 3.389 1.823 1.00 0.00 H new ATOM 851 N PRO A 58 -14.763 3.188 -2.195 1.00 0.00 N ATOM 852 CA PRO A 58 -13.942 2.108 -2.748 1.00 0.00 C ATOM 853 C PRO A 58 -12.667 1.878 -1.943 1.00 0.00 C ATOM 854 O PRO A 58 -11.965 0.887 -2.143 1.00 0.00 O ATOM 855 CB PRO A 58 -13.603 2.604 -4.156 1.00 0.00 C ATOM 856 CG PRO A 58 -13.692 4.089 -4.066 1.00 0.00 C ATOM 857 CD PRO A 58 -14.775 4.378 -3.063 1.00 0.00 C ATOM 0 HA PRO A 58 -14.464 1.151 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.606 2.285 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.302 2.209 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.742 4.519 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.931 4.525 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.569 5.288 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.743 4.514 -3.545 1.00 0.00 H new ATOM 865 N TYR A 59 -12.374 2.800 -1.033 1.00 0.00 N ATOM 866 CA TYR A 59 -11.183 2.699 -0.199 1.00 0.00 C ATOM 867 C TYR A 59 -11.510 2.049 1.142 1.00 0.00 C ATOM 868 O TYR A 59 -10.642 1.460 1.787 1.00 0.00 O ATOM 869 CB TYR A 59 -10.574 4.084 0.028 1.00 0.00 C ATOM 870 CG TYR A 59 -9.753 4.583 -1.139 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.674 3.851 -1.619 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.057 5.787 -1.764 1.00 0.00 C ATOM 873 CE1 TYR A 59 -7.921 4.304 -2.685 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.310 6.247 -2.831 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.243 5.502 -3.287 1.00 0.00 C ATOM 876 OH TYR A 59 -7.496 5.956 -4.350 1.00 0.00 O ATOM 0 H TYR A 59 -12.945 3.626 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.459 2.072 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.375 4.795 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.945 4.054 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.420 2.912 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.892 6.373 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.085 3.723 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.560 7.185 -3.305 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.855 6.814 -4.659 1.00 0.00 H new ATOM 886 N ILE A 60 -12.768 2.161 1.555 1.00 0.00 N ATOM 887 CA ILE A 60 -13.211 1.584 2.818 1.00 0.00 C ATOM 888 C ILE A 60 -13.727 0.162 2.621 1.00 0.00 C ATOM 889 O ILE A 60 -13.505 -0.713 3.459 1.00 0.00 O ATOM 890 CB ILE A 60 -14.318 2.435 3.468 1.00 0.00 C ATOM 891 CG1 ILE A 60 -13.813 3.855 3.730 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.792 1.789 4.761 1.00 0.00 C ATOM 893 CD1 ILE A 60 -14.919 4.847 4.013 1.00 0.00 C ATOM 0 H ILE A 60 -13.498 2.646 1.033 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.344 1.565 3.478 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.163 2.491 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.126 3.837 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.244 4.195 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.574 2.402 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.187 0.796 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.955 1.706 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.488 5.832 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.593 4.894 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.474 4.531 4.896 1.00 0.00 H new ATOM 905 N THR A 61 -14.417 -0.062 1.507 1.00 0.00 N ATOM 906 CA THR A 61 -14.965 -1.377 1.199 1.00 0.00 C ATOM 907 C THR A 61 -13.854 -2.404 1.010 1.00 0.00 C ATOM 908 O THR A 61 -14.004 -3.570 1.377 1.00 0.00 O ATOM 909 CB THR A 61 -15.835 -1.340 -0.072 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.826 -0.313 0.044 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.512 -2.682 -0.303 1.00 0.00 C ATOM 0 H THR A 61 -14.610 0.651 0.803 1.00 0.00 H new ATOM 0 HA THR A 61 -15.586 -1.667 2.047 1.00 0.00 H new ATOM 0 HB THR A 61 -15.189 -1.126 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.408 0.562 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.121 -2.632 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.754 -3.457 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.147 -2.921 0.550 1.00 0.00 H new ATOM 919 N LYS A 62 -12.739 -1.965 0.437 1.00 0.00 N ATOM 920 CA LYS A 62 -11.601 -2.846 0.201 1.00 0.00 C ATOM 921 C LYS A 62 -11.024 -3.353 1.519 1.00 0.00 C ATOM 922 O LYS A 62 -10.715 -4.536 1.657 1.00 0.00 O ATOM 923 CB LYS A 62 -10.518 -2.112 -0.594 1.00 0.00 C ATOM 924 CG LYS A 62 -9.682 -3.028 -1.471 1.00 0.00 C ATOM 925 CD LYS A 62 -8.537 -3.653 -0.692 1.00 0.00 C ATOM 926 CE LYS A 62 -7.821 -4.716 -1.511 1.00 0.00 C ATOM 927 NZ LYS A 62 -8.601 -5.983 -1.576 1.00 0.00 N ATOM 0 H LYS A 62 -12.599 -1.003 0.127 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.949 -3.702 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.989 -1.354 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.861 -1.589 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.314 -3.814 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.284 -2.463 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.828 -2.878 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.920 -4.097 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.649 -4.343 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.842 -4.914 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.050 -6.704 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.802 -6.317 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.497 -5.814 -2.077 1.00 0.00 H new ATOM 941 N ALA A 63 -10.882 -2.451 2.484 1.00 0.00 N ATOM 942 CA ALA A 63 -10.345 -2.808 3.791 1.00 0.00 C ATOM 943 C ALA A 63 -11.276 -3.769 4.523 1.00 0.00 C ATOM 944 O ALA A 63 -10.830 -4.595 5.319 1.00 0.00 O ATOM 945 CB ALA A 63 -10.112 -1.558 4.626 1.00 0.00 C ATOM 0 H ALA A 63 -11.132 -1.467 2.385 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.391 -3.312 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.711 -1.840 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.402 -0.907 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.056 -1.030 4.762 1.00 0.00 H new ATOM 951 N ALA A 64 -12.571 -3.656 4.248 1.00 0.00 N ATOM 952 CA ALA A 64 -13.564 -4.516 4.879 1.00 0.00 C ATOM 953 C ALA A 64 -13.286 -5.986 4.582 1.00 0.00 C ATOM 954 O ALA A 64 -13.603 -6.863 5.385 1.00 0.00 O ATOM 955 CB ALA A 64 -14.962 -4.137 4.414 1.00 0.00 C ATOM 0 H ALA A 64 -12.957 -2.977 3.592 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.500 -4.372 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.694 -4.787 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.166 -3.101 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.029 -4.251 3.332 1.00 0.00 H new