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 -72:sc= 0.00932 USER MOD Set 1.2: A 32 ASN : amide:sc= -1.23 K(o=-2,f=0.29) USER MOD Set 1.3: A 43 LYS NZ :NH3+ -129:sc= -0.782 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 21 CYS SG : rot -42:sc= -1.14 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 -33:sc= 0.0462 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 -139:sc= -2.17 (180deg=-5.64!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.63 K(o=0.63,f=-0.016) USER MOD Single : A 52 ASN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0.0789 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.532 -2.925 7.477 1.00 0.00 N ATOM 165 CA PRO A 14 -5.393 -1.501 7.161 1.00 0.00 C ATOM 166 C PRO A 14 -6.729 -0.851 6.816 1.00 0.00 C ATOM 167 O PRO A 14 -7.534 -1.419 6.078 1.00 0.00 O ATOM 168 CB PRO A 14 -4.466 -1.496 5.944 1.00 0.00 C ATOM 169 CG PRO A 14 -4.665 -2.829 5.311 1.00 0.00 C ATOM 170 CD PRO A 14 -4.943 -3.786 6.437 1.00 0.00 C ATOM 0 HA PRO A 14 -5.010 -0.931 8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.720 -0.689 5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.427 -1.349 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.495 -2.806 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.780 -3.131 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.629 -4.576 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.032 -4.272 6.786 1.00 0.00 H new ATOM 178 N SER A 15 -6.958 0.343 7.354 1.00 0.00 N ATOM 179 CA SER A 15 -8.198 1.068 7.106 1.00 0.00 C ATOM 180 C SER A 15 -8.111 1.864 5.806 1.00 0.00 C ATOM 181 O SER A 15 -7.025 2.238 5.366 1.00 0.00 O ATOM 182 CB SER A 15 -8.506 2.009 8.272 1.00 0.00 C ATOM 183 OG SER A 15 -7.344 2.705 8.687 1.00 0.00 O ATOM 0 H SER A 15 -6.301 0.828 7.964 1.00 0.00 H new ATOM 0 HA SER A 15 -9.003 0.339 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.274 2.723 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.909 1.437 9.108 1.00 0.00 H new ATOM 0 HG SER A 15 -7.568 3.301 9.432 1.00 0.00 H new ATOM 189 N GLY A 16 -9.265 2.118 5.197 1.00 0.00 N ATOM 190 CA GLY A 16 -9.298 2.867 3.954 1.00 0.00 C ATOM 191 C GLY A 16 -8.273 3.983 3.922 1.00 0.00 C ATOM 192 O GLY A 16 -7.393 4.003 3.061 1.00 0.00 O ATOM 0 H GLY A 16 -10.177 1.819 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.118 2.189 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.294 3.288 3.814 1.00 0.00 H new ATOM 196 N PHE A 17 -8.387 4.916 4.862 1.00 0.00 N ATOM 197 CA PHE A 17 -7.465 6.043 4.936 1.00 0.00 C ATOM 198 C PHE A 17 -6.031 5.590 4.673 1.00 0.00 C ATOM 199 O PHE A 17 -5.297 6.226 3.916 1.00 0.00 O ATOM 200 CB PHE A 17 -7.556 6.714 6.308 1.00 0.00 C ATOM 201 CG PHE A 17 -6.400 7.625 6.608 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.810 8.372 5.601 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.902 7.732 7.896 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.746 9.212 5.874 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.838 8.570 8.175 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.259 9.309 7.163 1.00 0.00 C ATOM 0 H PHE A 17 -9.109 4.914 5.583 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.747 6.763 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.482 7.286 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.610 5.944 7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.186 8.297 4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.350 7.155 8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.297 9.791 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.460 8.646 9.184 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.426 9.962 7.379 1.00 0.00 H new ATOM 216 N PHE A 18 -5.640 4.488 5.304 1.00 0.00 N ATOM 217 CA PHE A 18 -4.294 3.951 5.140 1.00 0.00 C ATOM 218 C PHE A 18 -4.062 3.494 3.703 1.00 0.00 C ATOM 219 O PHE A 18 -3.226 4.050 2.990 1.00 0.00 O ATOM 220 CB PHE A 18 -4.068 2.782 6.102 1.00 0.00 C ATOM 221 CG PHE A 18 -2.683 2.207 6.031 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.332 1.335 5.014 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.732 2.538 6.983 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.057 0.804 4.945 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.456 2.010 6.920 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.119 1.141 5.901 1.00 0.00 C ATOM 0 H PHE A 18 -6.235 3.950 5.933 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.583 4.744 5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.262 3.118 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.791 1.996 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.063 1.066 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.991 3.216 7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.795 0.127 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.277 2.277 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.877 0.726 5.852 1.00 0.00 H new ATOM 236 N LEU A 19 -4.808 2.477 3.285 1.00 0.00 N ATOM 237 CA LEU A 19 -4.684 1.943 1.933 1.00 0.00 C ATOM 238 C LEU A 19 -4.431 3.062 0.927 1.00 0.00 C ATOM 239 O LEU A 19 -3.597 2.928 0.031 1.00 0.00 O ATOM 240 CB LEU A 19 -5.950 1.174 1.549 1.00 0.00 C ATOM 241 CG LEU A 19 -6.213 -0.115 2.328 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.685 -0.490 2.258 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.347 -1.247 1.794 1.00 0.00 C ATOM 0 H LEU A 19 -5.505 2.006 3.862 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.833 1.262 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.807 1.835 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.895 0.929 0.488 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.951 0.055 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.853 -1.410 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.286 0.312 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.973 -0.641 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.547 -2.157 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.577 -1.416 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.295 -0.980 1.897 1.00 0.00 H new ATOM 255 N PHE A 20 -5.155 4.165 1.082 1.00 0.00 N ATOM 256 CA PHE A 20 -5.008 5.308 0.188 1.00 0.00 C ATOM 257 C PHE A 20 -3.697 6.042 0.455 1.00 0.00 C ATOM 258 O PHE A 20 -3.025 6.492 -0.474 1.00 0.00 O ATOM 259 CB PHE A 20 -6.187 6.269 0.356 1.00 0.00 C ATOM 260 CG PHE A 20 -5.853 7.693 0.018 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.230 8.512 0.947 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.161 8.214 -1.229 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.921 9.823 0.639 1.00 0.00 C ATOM 264 CE2 PHE A 20 -5.853 9.525 -1.542 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.233 10.331 -0.607 1.00 0.00 C ATOM 0 H PHE A 20 -5.849 4.292 1.818 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.994 4.937 -0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.009 5.937 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.540 6.222 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.983 8.121 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.647 7.589 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.436 10.450 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.097 9.919 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.993 11.356 -0.850 1.00 0.00 H new ATOM 275 N CYS A 21 -3.341 6.160 1.729 1.00 0.00 N ATOM 276 CA CYS A 21 -2.112 6.841 2.120 1.00 0.00 C ATOM 277 C CYS A 21 -0.890 6.125 1.553 1.00 0.00 C ATOM 278 O CYS A 21 0.089 6.761 1.163 1.00 0.00 O ATOM 279 CB CYS A 21 -2.010 6.920 3.644 1.00 0.00 C ATOM 280 SG CYS A 21 -1.235 5.476 4.408 1.00 0.00 S ATOM 0 H CYS A 21 -3.886 5.793 2.509 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.141 7.852 1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.441 7.810 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.011 7.044 4.058 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.684 4.394 3.845 1.00 0.00 H new ATOM 286 N SER A 22 -0.954 4.798 1.513 1.00 0.00 N ATOM 287 CA SER A 22 0.149 3.995 0.998 1.00 0.00 C ATOM 288 C SER A 22 0.105 3.924 -0.525 1.00 0.00 C ATOM 289 O SER A 22 1.091 3.564 -1.168 1.00 0.00 O ATOM 290 CB SER A 22 0.099 2.584 1.588 1.00 0.00 C ATOM 291 OG SER A 22 1.389 2.000 1.624 1.00 0.00 O ATOM 0 H SER A 22 -1.758 4.256 1.831 1.00 0.00 H new ATOM 0 HA SER A 22 1.083 4.472 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.314 2.622 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.569 1.961 0.993 1.00 0.00 H new ATOM 0 HG SER A 22 1.330 1.100 2.006 1.00 0.00 H new ATOM 297 N GLU A 23 -1.045 4.269 -1.095 1.00 0.00 N ATOM 298 CA GLU A 23 -1.218 4.243 -2.542 1.00 0.00 C ATOM 299 C GLU A 23 -0.891 5.602 -3.153 1.00 0.00 C ATOM 300 O GLU A 23 -0.531 5.697 -4.327 1.00 0.00 O ATOM 301 CB GLU A 23 -2.651 3.842 -2.900 1.00 0.00 C ATOM 302 CG GLU A 23 -2.959 3.946 -4.384 1.00 0.00 C ATOM 303 CD GLU A 23 -4.126 3.072 -4.800 1.00 0.00 C ATOM 304 OE1 GLU A 23 -4.127 1.875 -4.443 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.038 3.584 -5.483 1.00 0.00 O ATOM 0 H GLU A 23 -1.870 4.570 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.529 3.504 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.825 2.817 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.345 4.476 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.180 4.984 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.075 3.662 -4.955 1.00 0.00 H new ATOM 312 N PHE A 24 -1.018 6.652 -2.349 1.00 0.00 N ATOM 313 CA PHE A 24 -0.738 8.007 -2.810 1.00 0.00 C ATOM 314 C PHE A 24 0.675 8.432 -2.422 1.00 0.00 C ATOM 315 O PHE A 24 1.214 9.398 -2.961 1.00 0.00 O ATOM 316 CB PHE A 24 -1.756 8.988 -2.226 1.00 0.00 C ATOM 317 CG PHE A 24 -2.972 9.174 -3.088 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.801 8.102 -3.380 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.287 10.420 -3.605 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.920 8.271 -4.174 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.405 10.594 -4.399 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.223 9.518 -4.683 1.00 0.00 C ATOM 0 H PHE A 24 -1.313 6.591 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.816 8.018 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.068 8.634 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.274 9.954 -2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.570 7.124 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.652 11.265 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.557 7.428 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.639 11.570 -4.797 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.098 9.652 -5.302 1.00 0.00 H new ATOM 332 N ARG A 25 1.268 7.703 -1.482 1.00 0.00 N ATOM 333 CA ARG A 25 2.618 8.005 -1.019 1.00 0.00 C ATOM 334 C ARG A 25 3.592 8.072 -2.192 1.00 0.00 C ATOM 335 O ARG A 25 4.417 8.980 -2.294 1.00 0.00 O ATOM 336 CB ARG A 25 3.083 6.950 -0.015 1.00 0.00 C ATOM 337 CG ARG A 25 4.021 7.495 1.051 1.00 0.00 C ATOM 338 CD ARG A 25 4.524 6.391 1.967 1.00 0.00 C ATOM 339 NE ARG A 25 5.296 5.386 1.241 1.00 0.00 N ATOM 340 CZ ARG A 25 5.592 4.188 1.734 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.182 3.848 2.949 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.298 3.328 1.012 1.00 0.00 N ATOM 0 H ARG A 25 0.835 6.900 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 25 2.599 8.979 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.210 6.513 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.585 6.146 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.868 7.988 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.503 8.251 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.143 6.825 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.676 5.912 2.457 1.00 0.00 H new ATOM 0 HE ARG A 25 5.626 5.616 0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.638 4.507 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.410 2.928 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.614 3.586 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.525 2.409 1.392 1.00 0.00 H new ATOM 356 N PRO A 26 3.497 7.087 -3.098 1.00 0.00 N ATOM 357 CA PRO A 26 4.361 7.012 -4.279 1.00 0.00 C ATOM 358 C PRO A 26 4.448 8.342 -5.020 1.00 0.00 C ATOM 359 O PRO A 26 5.537 8.869 -5.245 1.00 0.00 O ATOM 360 CB PRO A 26 3.678 5.956 -5.152 1.00 0.00 C ATOM 361 CG PRO A 26 2.926 5.100 -4.192 1.00 0.00 C ATOM 362 CD PRO A 26 2.536 5.972 -3.039 1.00 0.00 C ATOM 0 HA PRO A 26 5.390 6.766 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.010 6.416 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.409 5.374 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.043 4.672 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.542 4.267 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.509 6.324 -3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.603 5.436 -2.092 1.00 0.00 H new ATOM 370 N LYS A 27 3.293 8.879 -5.397 1.00 0.00 N ATOM 371 CA LYS A 27 3.237 10.149 -6.112 1.00 0.00 C ATOM 372 C LYS A 27 3.950 11.247 -5.328 1.00 0.00 C ATOM 373 O LYS A 27 4.765 11.986 -5.880 1.00 0.00 O ATOM 374 CB LYS A 27 1.782 10.551 -6.366 1.00 0.00 C ATOM 375 CG LYS A 27 1.024 9.571 -7.244 1.00 0.00 C ATOM 376 CD LYS A 27 -0.466 9.593 -6.947 1.00 0.00 C ATOM 377 CE LYS A 27 -1.245 8.748 -7.944 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.715 8.934 -7.798 1.00 0.00 N ATOM 0 H LYS A 27 2.383 8.455 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 27 3.745 10.022 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.267 10.642 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.762 11.535 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.190 9.817 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.412 8.565 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.642 9.222 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.829 10.620 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.944 9.013 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.996 7.696 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.211 8.342 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.006 8.658 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.956 9.933 -7.959 1.00 0.00 H new ATOM 392 N ILE A 28 3.638 11.345 -4.040 1.00 0.00 N ATOM 393 CA ILE A 28 4.251 12.351 -3.181 1.00 0.00 C ATOM 394 C ILE A 28 5.771 12.230 -3.191 1.00 0.00 C ATOM 395 O ILE A 28 6.484 13.230 -3.261 1.00 0.00 O ATOM 396 CB ILE A 28 3.747 12.235 -1.731 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.241 12.496 -1.668 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.496 13.206 -0.830 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.680 12.463 -0.264 1.00 0.00 C ATOM 0 H ILE A 28 2.965 10.741 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 28 3.964 13.324 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 28 3.936 11.221 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.030 13.469 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.726 11.751 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.128 13.112 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.561 12.977 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.336 14.225 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.608 12.656 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.859 11.482 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.168 13.227 0.341 1.00 0.00 H new ATOM 411 N LYS A 29 6.261 10.996 -3.123 1.00 0.00 N ATOM 412 CA LYS A 29 7.696 10.742 -3.128 1.00 0.00 C ATOM 413 C LYS A 29 8.295 11.022 -4.502 1.00 0.00 C ATOM 414 O LYS A 29 9.505 11.197 -4.639 1.00 0.00 O ATOM 415 CB LYS A 29 7.980 9.294 -2.722 1.00 0.00 C ATOM 416 CG LYS A 29 7.635 8.989 -1.274 1.00 0.00 C ATOM 417 CD LYS A 29 8.150 7.623 -0.854 1.00 0.00 C ATOM 418 CE LYS A 29 9.597 7.691 -0.390 1.00 0.00 C ATOM 419 NZ LYS A 29 10.275 6.370 -0.493 1.00 0.00 N ATOM 0 H LYS A 29 5.685 10.157 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 29 8.160 11.414 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.413 8.626 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.036 9.079 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.064 9.755 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.554 9.028 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.527 7.230 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.067 6.929 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.137 8.424 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.631 8.037 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.259 6.458 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.775 5.676 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.265 6.051 -1.483 1.00 0.00 H new ATOM 433 N SER A 30 7.438 11.064 -5.518 1.00 0.00 N ATOM 434 CA SER A 30 7.883 11.321 -6.883 1.00 0.00 C ATOM 435 C SER A 30 7.713 12.794 -7.241 1.00 0.00 C ATOM 436 O SER A 30 8.310 13.285 -8.201 1.00 0.00 O ATOM 437 CB SER A 30 7.100 10.451 -7.869 1.00 0.00 C ATOM 438 OG SER A 30 7.558 10.646 -9.196 1.00 0.00 O ATOM 0 H SER A 30 6.432 10.923 -5.422 1.00 0.00 H new ATOM 0 HA SER A 30 8.941 11.069 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.205 9.401 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.039 10.692 -7.808 1.00 0.00 H new ATOM 0 HG SER A 30 7.847 11.576 -9.309 1.00 0.00 H new ATOM 444 N THR A 31 6.895 13.496 -6.463 1.00 0.00 N ATOM 445 CA THR A 31 6.645 14.912 -6.698 1.00 0.00 C ATOM 446 C THR A 31 7.553 15.781 -5.835 1.00 0.00 C ATOM 447 O THR A 31 8.113 16.770 -6.306 1.00 0.00 O ATOM 448 CB THR A 31 5.177 15.279 -6.409 1.00 0.00 C ATOM 449 OG1 THR A 31 4.634 14.390 -5.426 1.00 0.00 O ATOM 450 CG2 THR A 31 4.343 15.210 -7.679 1.00 0.00 C ATOM 0 H THR A 31 6.394 13.106 -5.664 1.00 0.00 H new ATOM 0 HA THR A 31 6.859 15.100 -7.750 1.00 0.00 H new ATOM 0 HB THR A 31 5.148 16.300 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.497 13.506 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.310 15.473 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.741 15.909 -8.414 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.379 14.198 -8.083 1.00 0.00 H new ATOM 458 N ASN A 32 7.695 15.405 -4.568 1.00 0.00 N ATOM 459 CA ASN A 32 8.536 16.150 -3.639 1.00 0.00 C ATOM 460 C ASN A 32 9.952 15.582 -3.610 1.00 0.00 C ATOM 461 O ASN A 32 10.160 14.373 -3.501 1.00 0.00 O ATOM 462 CB ASN A 32 7.933 16.117 -2.233 1.00 0.00 C ATOM 463 CG ASN A 32 6.586 16.812 -2.165 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.463 17.896 -1.595 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.569 16.188 -2.748 1.00 0.00 N ATOM 0 H ASN A 32 7.238 14.589 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 32 8.585 17.183 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.821 15.081 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.621 16.594 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.639 16.606 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.718 15.290 -3.209 1.00 0.00 H new ATOM 472 N PRO A 33 10.949 16.473 -3.710 1.00 0.00 N ATOM 473 CA PRO A 33 12.363 16.084 -3.697 1.00 0.00 C ATOM 474 C PRO A 33 12.814 15.586 -2.328 1.00 0.00 C ATOM 475 O PRO A 33 12.613 16.255 -1.316 1.00 0.00 O ATOM 476 CB PRO A 33 13.091 17.381 -4.060 1.00 0.00 C ATOM 477 CG PRO A 33 12.163 18.467 -3.637 1.00 0.00 C ATOM 478 CD PRO A 33 10.774 17.929 -3.843 1.00 0.00 C ATOM 0 HA PRO A 33 12.565 15.260 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.048 17.455 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.300 17.432 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.327 18.735 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.323 19.369 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.078 18.319 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.380 18.199 -4.823 1.00 0.00 H new ATOM 486 N GLY A 34 13.425 14.405 -2.305 1.00 0.00 N ATOM 487 CA GLY A 34 13.895 13.837 -1.055 1.00 0.00 C ATOM 488 C GLY A 34 12.998 14.189 0.115 1.00 0.00 C ATOM 489 O GLY A 34 13.456 14.756 1.108 1.00 0.00 O ATOM 0 H GLY A 34 13.603 13.832 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.953 12.753 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.905 14.194 -0.855 1.00 0.00 H new ATOM 493 N ILE A 35 11.718 13.854 -0.001 1.00 0.00 N ATOM 494 CA ILE A 35 10.755 14.139 1.056 1.00 0.00 C ATOM 495 C ILE A 35 10.926 13.179 2.229 1.00 0.00 C ATOM 496 O ILE A 35 11.146 11.983 2.038 1.00 0.00 O ATOM 497 CB ILE A 35 9.308 14.047 0.539 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.324 14.457 1.636 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.008 12.637 0.052 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.925 14.724 1.125 1.00 0.00 C ATOM 0 H ILE A 35 11.323 13.385 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 35 10.948 15.158 1.392 1.00 0.00 H new ATOM 0 HB ILE A 35 9.194 14.733 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.283 13.670 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.698 15.353 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.981 12.588 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.691 12.378 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.137 11.933 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.282 15.010 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.953 15.532 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.531 13.823 0.655 1.00 0.00 H new ATOM 512 N SER A 36 10.822 13.712 3.442 1.00 0.00 N ATOM 513 CA SER A 36 10.968 12.903 4.647 1.00 0.00 C ATOM 514 C SER A 36 9.621 12.333 5.084 1.00 0.00 C ATOM 515 O SER A 36 8.584 12.978 4.934 1.00 0.00 O ATOM 516 CB SER A 36 11.572 13.738 5.777 1.00 0.00 C ATOM 517 OG SER A 36 12.257 12.917 6.708 1.00 0.00 O ATOM 0 H SER A 36 10.637 14.700 3.617 1.00 0.00 H new ATOM 0 HA SER A 36 11.638 12.074 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.260 14.474 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.783 14.291 6.287 1.00 0.00 H new ATOM 0 HG SER A 36 12.635 13.475 7.419 1.00 0.00 H new ATOM 523 N ILE A 37 9.647 11.119 5.624 1.00 0.00 N ATOM 524 CA ILE A 37 8.430 10.462 6.084 1.00 0.00 C ATOM 525 C ILE A 37 7.501 11.451 6.779 1.00 0.00 C ATOM 526 O ILE A 37 6.302 11.491 6.505 1.00 0.00 O ATOM 527 CB ILE A 37 8.746 9.305 7.050 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.614 8.254 6.355 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.459 8.680 7.567 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.240 7.261 7.309 1.00 0.00 C ATOM 0 H ILE A 37 10.497 10.571 5.754 1.00 0.00 H new ATOM 0 HA ILE A 37 7.934 10.061 5.200 1.00 0.00 H new ATOM 0 HB ILE A 37 9.301 9.702 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.006 7.714 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.404 8.758 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.699 7.864 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.875 9.434 8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.880 8.294 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.841 6.546 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.875 7.790 8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.455 6.730 7.849 1.00 0.00 H new ATOM 542 N GLY A 38 8.063 12.250 7.681 1.00 0.00 N ATOM 543 CA GLY A 38 7.271 13.230 8.401 1.00 0.00 C ATOM 544 C GLY A 38 6.397 14.058 7.480 1.00 0.00 C ATOM 545 O GLY A 38 5.179 14.111 7.651 1.00 0.00 O ATOM 0 H GLY A 38 9.053 12.236 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.643 12.720 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.935 13.891 8.958 1.00 0.00 H new ATOM 549 N ASP A 39 7.019 14.707 6.503 1.00 0.00 N ATOM 550 CA ASP A 39 6.290 15.538 5.552 1.00 0.00 C ATOM 551 C ASP A 39 5.133 14.763 4.929 1.00 0.00 C ATOM 552 O ASP A 39 3.976 15.173 5.023 1.00 0.00 O ATOM 553 CB ASP A 39 7.231 16.042 4.456 1.00 0.00 C ATOM 554 CG ASP A 39 7.929 17.332 4.841 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.306 18.406 4.709 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.099 17.267 5.273 1.00 0.00 O ATOM 0 H ASP A 39 8.027 14.674 6.348 1.00 0.00 H new ATOM 0 HA ASP A 39 5.883 16.393 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.978 15.278 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.664 16.199 3.538 1.00 0.00 H new ATOM 561 N VAL A 40 5.453 13.642 4.291 1.00 0.00 N ATOM 562 CA VAL A 40 4.441 12.809 3.653 1.00 0.00 C ATOM 563 C VAL A 40 3.249 12.588 4.576 1.00 0.00 C ATOM 564 O VAL A 40 2.102 12.814 4.191 1.00 0.00 O ATOM 565 CB VAL A 40 5.017 11.442 3.240 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.929 10.561 2.646 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.164 11.622 2.257 1.00 0.00 C ATOM 0 H VAL A 40 6.406 13.290 4.202 1.00 0.00 H new ATOM 0 HA VAL A 40 4.112 13.340 2.760 1.00 0.00 H new ATOM 0 HB VAL A 40 5.406 10.948 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.355 9.599 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.144 10.404 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.507 11.047 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.559 10.646 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.803 12.137 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.953 12.212 2.723 1.00 0.00 H new ATOM 577 N ALA A 41 3.528 12.145 5.798 1.00 0.00 N ATOM 578 CA ALA A 41 2.478 11.896 6.778 1.00 0.00 C ATOM 579 C ALA A 41 1.505 13.068 6.851 1.00 0.00 C ATOM 580 O ALA A 41 0.292 12.889 6.738 1.00 0.00 O ATOM 581 CB ALA A 41 3.087 11.627 8.147 1.00 0.00 C ATOM 0 H ALA A 41 4.472 11.951 6.132 1.00 0.00 H new ATOM 0 HA ALA A 41 1.921 11.015 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.292 11.443 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.736 10.753 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.670 12.492 8.462 1.00 0.00 H new ATOM 587 N LYS A 42 2.044 14.267 7.041 1.00 0.00 N ATOM 588 CA LYS A 42 1.225 15.470 7.129 1.00 0.00 C ATOM 589 C LYS A 42 0.289 15.579 5.929 1.00 0.00 C ATOM 590 O LYS A 42 -0.928 15.682 6.085 1.00 0.00 O ATOM 591 CB LYS A 42 2.113 16.713 7.211 1.00 0.00 C ATOM 592 CG LYS A 42 1.352 17.984 7.548 1.00 0.00 C ATOM 593 CD LYS A 42 2.190 19.223 7.280 1.00 0.00 C ATOM 594 CE LYS A 42 3.032 19.598 8.490 1.00 0.00 C ATOM 595 NZ LYS A 42 3.844 20.822 8.243 1.00 0.00 N ATOM 0 H LYS A 42 3.046 14.432 7.137 1.00 0.00 H new ATOM 0 HA LYS A 42 0.622 15.403 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.883 16.550 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.624 16.848 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.436 18.028 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.055 17.964 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.840 19.046 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.537 20.055 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.381 19.761 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.693 18.769 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.404 21.044 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.484 20.658 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.213 21.619 8.026 1.00 0.00 H new ATOM 609 N LYS A 43 0.865 15.555 4.732 1.00 0.00 N ATOM 610 CA LYS A 43 0.083 15.649 3.504 1.00 0.00 C ATOM 611 C LYS A 43 -1.032 14.608 3.488 1.00 0.00 C ATOM 612 O LYS A 43 -2.212 14.948 3.389 1.00 0.00 O ATOM 613 CB LYS A 43 0.987 15.462 2.284 1.00 0.00 C ATOM 614 CG LYS A 43 1.603 16.755 1.779 1.00 0.00 C ATOM 615 CD LYS A 43 2.412 16.531 0.513 1.00 0.00 C ATOM 616 CE LYS A 43 2.850 17.848 -0.109 1.00 0.00 C ATOM 617 NZ LYS A 43 3.069 17.723 -1.577 1.00 0.00 N ATOM 0 H LYS A 43 1.871 15.471 4.586 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.369 16.640 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.785 14.764 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.409 15.007 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.815 17.482 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.245 17.179 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.289 15.926 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.816 15.968 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.093 18.609 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.770 18.187 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.004 18.107 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.023 16.721 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.333 18.254 -2.084 1.00 0.00 H new ATOM 631 N LEU A 44 -0.651 13.339 3.588 1.00 0.00 N ATOM 632 CA LEU A 44 -1.619 12.247 3.587 1.00 0.00 C ATOM 633 C LEU A 44 -2.849 12.609 4.414 1.00 0.00 C ATOM 634 O LEU A 44 -3.954 12.721 3.885 1.00 0.00 O ATOM 635 CB LEU A 44 -0.979 10.971 4.136 1.00 0.00 C ATOM 636 CG LEU A 44 0.159 10.380 3.304 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.788 9.197 4.024 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.345 9.963 1.930 1.00 0.00 C ATOM 0 H LEU A 44 0.321 13.041 3.671 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.934 12.074 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.600 11.180 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.757 10.214 4.241 1.00 0.00 H new ATOM 0 HG LEU A 44 0.922 11.147 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.596 8.789 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.186 9.525 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.033 8.428 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.479 9.545 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.128 9.213 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.748 10.833 1.411 1.00 0.00 H new ATOM 650 N GLY A 45 -2.648 12.794 5.715 1.00 0.00 N ATOM 651 CA GLY A 45 -3.749 13.143 6.594 1.00 0.00 C ATOM 652 C GLY A 45 -4.709 14.127 5.956 1.00 0.00 C ATOM 653 O GLY A 45 -5.916 13.889 5.917 1.00 0.00 O ATOM 0 H GLY A 45 -1.742 12.708 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.291 12.238 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.353 13.571 7.515 1.00 0.00 H new ATOM 657 N GLU A 46 -4.174 15.236 5.456 1.00 0.00 N ATOM 658 CA GLU A 46 -4.993 16.260 4.819 1.00 0.00 C ATOM 659 C GLU A 46 -5.698 15.704 3.585 1.00 0.00 C ATOM 660 O GLU A 46 -6.923 15.756 3.480 1.00 0.00 O ATOM 661 CB GLU A 46 -4.133 17.464 4.430 1.00 0.00 C ATOM 662 CG GLU A 46 -3.993 18.495 5.537 1.00 0.00 C ATOM 663 CD GLU A 46 -5.223 19.370 5.680 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.241 18.882 6.214 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.167 20.544 5.257 1.00 0.00 O ATOM 0 H GLU A 46 -3.177 15.448 5.480 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.750 16.580 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.141 17.114 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.568 17.942 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.803 17.985 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.126 19.124 5.335 1.00 0.00 H new ATOM 672 N MET A 47 -4.913 15.172 2.653 1.00 0.00 N ATOM 673 CA MET A 47 -5.461 14.605 1.426 1.00 0.00 C ATOM 674 C MET A 47 -6.683 13.742 1.724 1.00 0.00 C ATOM 675 O MET A 47 -7.687 13.805 1.015 1.00 0.00 O ATOM 676 CB MET A 47 -4.399 13.775 0.704 1.00 0.00 C ATOM 677 CG MET A 47 -3.125 14.547 0.402 1.00 0.00 C ATOM 678 SD MET A 47 -2.261 13.922 -1.052 1.00 0.00 S ATOM 679 CE MET A 47 -2.162 12.177 -0.662 1.00 0.00 C ATOM 0 H MET A 47 -3.897 15.122 2.724 1.00 0.00 H new ATOM 0 HA MET A 47 -5.769 15.428 0.781 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.152 12.907 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.816 13.399 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.369 15.598 0.250 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.461 14.495 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.181 11.796 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.312 12.034 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.933 11.637 -1.212 1.00 0.00 H new ATOM 689 N TRP A 48 -6.589 12.936 2.776 1.00 0.00 N ATOM 690 CA TRP A 48 -7.687 12.059 3.167 1.00 0.00 C ATOM 691 C TRP A 48 -8.946 12.865 3.469 1.00 0.00 C ATOM 692 O TRP A 48 -9.929 12.797 2.733 1.00 0.00 O ATOM 693 CB TRP A 48 -7.293 11.228 4.389 1.00 0.00 C ATOM 694 CG TRP A 48 -8.414 10.388 4.922 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.055 10.540 6.119 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.024 9.264 4.278 1.00 0.00 C ATOM 697 NE1 TRP A 48 -10.026 9.578 6.257 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.028 8.784 5.142 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.820 8.617 3.056 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.824 7.688 4.820 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.611 7.530 2.739 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.603 7.074 3.617 1.00 0.00 C ATOM 0 H TRP A 48 -5.764 12.872 3.373 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.898 11.389 2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.457 10.580 4.125 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.943 11.896 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.831 11.304 6.849 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.645 9.472 7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.058 8.961 2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.589 7.335 5.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.462 7.022 1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.205 6.221 3.339 1.00 0.00 H new ATOM 713 N ASN A 49 -8.908 13.628 4.557 1.00 0.00 N ATOM 714 CA ASN A 49 -10.047 14.446 4.957 1.00 0.00 C ATOM 715 C ASN A 49 -10.656 15.157 3.751 1.00 0.00 C ATOM 716 O ASN A 49 -11.874 15.286 3.645 1.00 0.00 O ATOM 717 CB ASN A 49 -9.620 15.474 6.006 1.00 0.00 C ATOM 718 CG ASN A 49 -10.749 15.840 6.950 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.296 16.941 6.884 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.104 14.916 7.835 1.00 0.00 N ATOM 0 H ASN A 49 -8.101 13.697 5.177 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.801 13.788 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.784 15.076 6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.263 16.374 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.858 15.105 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.623 14.017 7.854 1.00 0.00 H new ATOM 727 N ASN A 50 -9.797 15.615 2.846 1.00 0.00 N ATOM 728 CA ASN A 50 -10.250 16.312 1.648 1.00 0.00 C ATOM 729 C ASN A 50 -11.192 15.434 0.830 1.00 0.00 C ATOM 730 O ASN A 50 -12.207 15.905 0.314 1.00 0.00 O ATOM 731 CB ASN A 50 -9.052 16.728 0.792 1.00 0.00 C ATOM 732 CG ASN A 50 -8.493 18.079 1.197 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.946 19.119 0.720 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.503 18.067 2.082 1.00 0.00 N ATOM 0 H ASN A 50 -8.784 15.516 2.919 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.793 17.204 1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.269 15.974 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.351 16.761 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.086 18.945 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.159 17.180 2.451 1.00 0.00 H new ATOM 741 N LEU A 51 -10.851 14.155 0.717 1.00 0.00 N ATOM 742 CA LEU A 51 -11.667 13.210 -0.037 1.00 0.00 C ATOM 743 C LEU A 51 -13.130 13.292 0.389 1.00 0.00 C ATOM 744 O LEU A 51 -13.449 13.834 1.446 1.00 0.00 O ATOM 745 CB LEU A 51 -11.146 11.785 0.161 1.00 0.00 C ATOM 746 CG LEU A 51 -9.792 11.471 -0.477 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.186 10.223 0.144 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.937 11.304 -1.982 1.00 0.00 C ATOM 0 H LEU A 51 -10.015 13.749 1.138 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.600 13.472 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.075 11.591 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.884 11.091 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.120 12.308 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.223 10.015 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.045 10.381 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.855 9.377 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.964 11.081 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.625 10.485 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.326 12.226 -2.415 1.00 0.00 H new ATOM 760 N ASN A 52 -14.014 12.748 -0.441 1.00 0.00 N ATOM 761 CA ASN A 52 -15.443 12.759 -0.150 1.00 0.00 C ATOM 762 C ASN A 52 -15.921 11.373 0.274 1.00 0.00 C ATOM 763 O ASN A 52 -15.222 10.378 0.083 1.00 0.00 O ATOM 764 CB ASN A 52 -16.231 13.230 -1.373 1.00 0.00 C ATOM 765 CG ASN A 52 -16.185 14.736 -1.545 1.00 0.00 C ATOM 766 OD1 ASN A 52 -17.195 15.421 -1.384 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.009 15.259 -1.873 1.00 0.00 N ATOM 0 H ASN A 52 -13.766 12.294 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.616 13.452 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.829 12.752 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.268 12.909 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.917 16.267 -2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.198 14.653 -1.996 1.00 0.00 H new ATOM 774 N ASP A 53 -17.117 11.318 0.850 1.00 0.00 N ATOM 775 CA ASP A 53 -17.691 10.055 1.300 1.00 0.00 C ATOM 776 C ASP A 53 -17.832 9.077 0.137 1.00 0.00 C ATOM 777 O ASP A 53 -17.910 7.865 0.338 1.00 0.00 O ATOM 778 CB ASP A 53 -19.054 10.292 1.951 1.00 0.00 C ATOM 779 CG ASP A 53 -19.483 9.138 2.836 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.723 8.788 3.764 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.577 8.586 2.601 1.00 0.00 O ATOM 0 H ASP A 53 -17.708 12.133 1.016 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.016 9.620 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.016 11.206 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.802 10.447 1.174 1.00 0.00 H new ATOM 786 N SER A 54 -17.866 9.613 -1.079 1.00 0.00 N ATOM 787 CA SER A 54 -18.003 8.789 -2.274 1.00 0.00 C ATOM 788 C SER A 54 -16.642 8.293 -2.751 1.00 0.00 C ATOM 789 O SER A 54 -16.529 7.207 -3.319 1.00 0.00 O ATOM 790 CB SER A 54 -18.690 9.580 -3.389 1.00 0.00 C ATOM 791 OG SER A 54 -17.858 10.625 -3.859 1.00 0.00 O ATOM 0 H SER A 54 -17.801 10.614 -1.262 1.00 0.00 H new ATOM 0 HA SER A 54 -18.617 7.925 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.940 8.911 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.628 9.995 -3.020 1.00 0.00 H new ATOM 0 HG SER A 54 -18.319 11.114 -4.572 1.00 0.00 H new ATOM 797 N GLU A 55 -15.610 9.097 -2.515 1.00 0.00 N ATOM 798 CA GLU A 55 -14.256 8.741 -2.921 1.00 0.00 C ATOM 799 C GLU A 55 -13.673 7.676 -1.997 1.00 0.00 C ATOM 800 O GLU A 55 -12.914 6.809 -2.430 1.00 0.00 O ATOM 801 CB GLU A 55 -13.357 9.979 -2.922 1.00 0.00 C ATOM 802 CG GLU A 55 -13.600 10.907 -4.101 1.00 0.00 C ATOM 803 CD GLU A 55 -13.286 10.252 -5.432 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.183 9.588 -5.992 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.144 10.404 -5.914 1.00 0.00 O ATOM 0 H GLU A 55 -15.686 9.999 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.303 8.335 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.514 10.533 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.315 9.661 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.641 11.230 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.988 11.802 -3.987 1.00 0.00 H new ATOM 812 N LYS A 56 -14.032 7.749 -0.720 1.00 0.00 N ATOM 813 CA LYS A 56 -13.547 6.793 0.268 1.00 0.00 C ATOM 814 C LYS A 56 -14.301 5.471 0.163 1.00 0.00 C ATOM 815 O LYS A 56 -13.806 4.428 0.588 1.00 0.00 O ATOM 816 CB LYS A 56 -13.695 7.366 1.679 1.00 0.00 C ATOM 817 CG LYS A 56 -12.966 8.684 1.880 1.00 0.00 C ATOM 818 CD LYS A 56 -13.231 9.263 3.260 1.00 0.00 C ATOM 819 CE LYS A 56 -12.473 10.564 3.473 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.698 11.120 4.836 1.00 0.00 N ATOM 0 H LYS A 56 -14.658 8.461 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.492 6.606 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.754 7.509 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.319 6.639 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.895 8.532 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.283 9.396 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.300 9.439 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.937 8.541 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.407 10.392 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.787 11.294 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.663 12.159 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.630 10.818 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.959 10.772 5.479 1.00 0.00 H new ATOM 834 N GLN A 57 -15.501 5.524 -0.407 1.00 0.00 N ATOM 835 CA GLN A 57 -16.323 4.331 -0.568 1.00 0.00 C ATOM 836 C GLN A 57 -15.484 3.153 -1.053 1.00 0.00 C ATOM 837 O GLN A 57 -15.409 2.106 -0.410 1.00 0.00 O ATOM 838 CB GLN A 57 -17.463 4.600 -1.552 1.00 0.00 C ATOM 839 CG GLN A 57 -18.751 5.050 -0.882 1.00 0.00 C ATOM 840 CD GLN A 57 -19.477 3.914 -0.189 1.00 0.00 C ATOM 841 OE1 GLN A 57 -19.998 3.007 -0.839 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.515 3.956 1.138 1.00 0.00 N ATOM 0 H GLN A 57 -15.925 6.380 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.745 4.077 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.146 5.364 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.659 3.694 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.524 5.829 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.409 5.494 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.070 4.726 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.989 3.218 1.658 1.00 0.00 H new ATOM 851 N PRO A 58 -14.836 3.327 -2.215 1.00 0.00 N ATOM 852 CA PRO A 58 -13.991 2.289 -2.812 1.00 0.00 C ATOM 853 C PRO A 58 -12.708 2.059 -2.020 1.00 0.00 C ATOM 854 O PRO A 58 -11.987 1.090 -2.256 1.00 0.00 O ATOM 855 CB PRO A 58 -13.668 2.849 -4.200 1.00 0.00 C ATOM 856 CG PRO A 58 -13.794 4.326 -4.051 1.00 0.00 C ATOM 857 CD PRO A 58 -14.880 4.549 -3.035 1.00 0.00 C ATOM 0 HA PRO A 58 -14.490 1.320 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.664 2.567 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.358 2.467 -4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.854 4.766 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.048 4.794 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.694 5.441 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.853 4.680 -3.509 1.00 0.00 H new ATOM 865 N TYR A 59 -12.431 2.955 -1.080 1.00 0.00 N ATOM 866 CA TYR A 59 -11.234 2.851 -0.253 1.00 0.00 C ATOM 867 C TYR A 59 -11.543 2.153 1.067 1.00 0.00 C ATOM 868 O TYR A 59 -10.659 1.570 1.696 1.00 0.00 O ATOM 869 CB TYR A 59 -10.651 4.239 0.015 1.00 0.00 C ATOM 870 CG TYR A 59 -9.871 4.804 -1.150 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.796 4.111 -1.693 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.209 6.030 -1.709 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.079 4.623 -2.757 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.499 6.550 -2.774 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.435 5.843 -3.294 1.00 0.00 C ATOM 876 OH TYR A 59 -7.724 6.356 -4.355 1.00 0.00 O ATOM 0 H TYR A 59 -13.019 3.762 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.500 2.255 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.463 4.923 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.999 4.188 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.516 3.155 -1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.041 6.586 -1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.245 4.072 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.776 7.505 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.103 7.222 -4.615 1.00 0.00 H new ATOM 886 N ILE A 60 -12.804 2.215 1.481 1.00 0.00 N ATOM 887 CA ILE A 60 -13.232 1.588 2.726 1.00 0.00 C ATOM 888 C ILE A 60 -13.658 0.143 2.495 1.00 0.00 C ATOM 889 O ILE A 60 -13.277 -0.757 3.244 1.00 0.00 O ATOM 890 CB ILE A 60 -14.397 2.359 3.373 1.00 0.00 C ATOM 891 CG1 ILE A 60 -13.947 3.765 3.776 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.928 1.600 4.580 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.093 4.691 4.119 1.00 0.00 C ATOM 0 H ILE A 60 -13.548 2.693 0.972 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.376 1.608 3.400 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.202 2.452 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.280 3.692 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.370 4.201 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.751 2.157 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.283 0.619 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.131 1.480 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.700 5.669 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.749 4.794 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.657 4.278 4.955 1.00 0.00 H new ATOM 905 N THR A 61 -14.452 -0.075 1.450 1.00 0.00 N ATOM 906 CA THR A 61 -14.930 -1.411 1.119 1.00 0.00 C ATOM 907 C THR A 61 -13.772 -2.393 0.989 1.00 0.00 C ATOM 908 O THR A 61 -13.850 -3.528 1.461 1.00 0.00 O ATOM 909 CB THR A 61 -15.738 -1.409 -0.193 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.598 -0.265 -0.237 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.566 -2.678 -0.320 1.00 0.00 C ATOM 0 H THR A 61 -14.777 0.657 0.819 1.00 0.00 H new ATOM 0 HA THR A 61 -15.579 -1.726 1.936 1.00 0.00 H new ATOM 0 HB THR A 61 -15.036 -1.367 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.119 0.489 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.128 -2.654 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.906 -3.545 -0.316 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.259 -2.746 0.519 1.00 0.00 H new ATOM 919 N LYS A 62 -12.697 -1.950 0.346 1.00 0.00 N ATOM 920 CA LYS A 62 -11.520 -2.790 0.154 1.00 0.00 C ATOM 921 C LYS A 62 -10.984 -3.288 1.492 1.00 0.00 C ATOM 922 O LYS A 62 -10.581 -4.444 1.619 1.00 0.00 O ATOM 923 CB LYS A 62 -10.429 -2.013 -0.587 1.00 0.00 C ATOM 924 CG LYS A 62 -9.140 -2.795 -0.766 1.00 0.00 C ATOM 925 CD LYS A 62 -8.334 -2.280 -1.946 1.00 0.00 C ATOM 926 CE LYS A 62 -6.875 -2.701 -1.852 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.128 -2.397 -3.103 1.00 0.00 N ATOM 0 H LYS A 62 -12.616 -1.014 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.813 -3.653 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.805 -1.720 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.214 -1.095 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.542 -2.725 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.371 -3.850 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.764 -2.658 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.398 -1.193 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.403 -2.189 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.818 -3.770 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.138 -2.699 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.563 -2.905 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.160 -1.374 -3.287 1.00 0.00 H new ATOM 941 N ALA A 63 -10.982 -2.409 2.489 1.00 0.00 N ATOM 942 CA ALA A 63 -10.499 -2.761 3.818 1.00 0.00 C ATOM 943 C ALA A 63 -11.396 -3.808 4.469 1.00 0.00 C ATOM 944 O ALA A 63 -10.939 -4.613 5.280 1.00 0.00 O ATOM 945 CB ALA A 63 -10.412 -1.520 4.694 1.00 0.00 C ATOM 0 H ALA A 63 -11.310 -1.447 2.401 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.502 -3.189 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.050 -1.798 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.724 -0.804 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.400 -1.067 4.783 1.00 0.00 H new ATOM 951 N ALA A 64 -12.675 -3.791 4.108 1.00 0.00 N ATOM 952 CA ALA A 64 -13.636 -4.741 4.656 1.00 0.00 C ATOM 953 C ALA A 64 -13.187 -6.178 4.414 1.00 0.00 C ATOM 954 O ALA A 64 -13.157 -6.994 5.335 1.00 0.00 O ATOM 955 CB ALA A 64 -15.013 -4.506 4.053 1.00 0.00 C ATOM 0 H ALA A 64 -13.070 -3.130 3.439 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.692 -4.583 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.720 -5.222 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.343 -3.493 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.963 -4.634 2.972 1.00 0.00 H new