USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 496 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 48 THR OG1 : rot 178:sc= 1.3 USER MOD Set 1.2: A 52 THR OG1 : rot 100:sc= 0.296 USER MOD Set 2.1: A 16 CYS SG : rot 135:sc= -2.98! USER MOD Set 2.2: A 78 CYS SG : rot 88:sc= 0.244 USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= 1.23 (180deg=-0.756) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0273 (180deg=-0.0273) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.949) USER MOD Single : A 29 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0017) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 40:sc= 0.0777 USER MOD Single : A 37 MET CE :methyl 176:sc= -0.67 (180deg=-0.766) USER MOD Single : A 39 MET CE :methyl -166:sc= -0.0269 (180deg=-0.586) USER MOD Single : A 41 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.192) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 47 TYR OH : rot -118:sc= 1.09 USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.22) USER MOD Single : A 56 MET CE :methyl 180:sc= -0.444 (180deg=-0.444) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.339 (180deg=0.303) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 2.02 (180deg=1.69) USER MOD Single : A 68 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.9!) USER MOD Single : A 76 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 79 SER OG : rot -95:sc= 1.11 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.041 -30.447 -23.468 1.00 0.00 N ATOM 159 CA GLU A 12 27.403 -29.913 -23.588 1.00 0.00 C ATOM 160 C GLU A 12 27.550 -28.910 -24.735 1.00 0.00 C ATOM 161 O GLU A 12 28.177 -27.860 -24.578 1.00 0.00 O ATOM 162 CB GLU A 12 28.460 -31.021 -23.666 1.00 0.00 C ATOM 163 CG GLU A 12 28.664 -31.708 -22.310 1.00 0.00 C ATOM 164 CD GLU A 12 30.054 -32.313 -22.218 1.00 0.00 C ATOM 165 OE1 GLU A 12 31.002 -31.583 -21.853 1.00 0.00 O ATOM 166 OE2 GLU A 12 30.210 -33.518 -22.512 1.00 0.00 O ATOM 0 HA GLU A 12 27.586 -29.360 -22.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.157 -31.761 -24.407 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.406 -30.598 -24.006 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.522 -30.986 -21.506 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.913 -32.487 -22.175 1.00 0.00 H new ATOM 173 N LYS A 13 26.980 -29.212 -25.903 1.00 0.00 N ATOM 174 CA LYS A 13 26.958 -28.191 -26.953 1.00 0.00 C ATOM 175 C LYS A 13 26.113 -26.990 -26.559 1.00 0.00 C ATOM 176 O LYS A 13 26.469 -25.848 -26.853 1.00 0.00 O ATOM 177 CB LYS A 13 26.564 -28.748 -28.331 1.00 0.00 C ATOM 178 CG LYS A 13 25.044 -28.816 -28.562 1.00 0.00 C ATOM 179 CD LYS A 13 24.488 -27.485 -29.093 1.00 0.00 C ATOM 180 CE LYS A 13 22.985 -27.374 -28.817 1.00 0.00 C ATOM 181 NZ LYS A 13 22.567 -25.959 -28.832 1.00 0.00 N ATOM 0 H LYS A 13 26.549 -30.105 -26.140 1.00 0.00 H new ATOM 0 HA LYS A 13 27.986 -27.844 -27.056 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.012 -28.126 -29.106 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.984 -29.748 -28.442 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.819 -29.613 -29.271 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.545 -29.071 -27.627 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.011 -26.653 -28.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.672 -27.411 -30.165 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.428 -27.933 -29.568 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.752 -27.819 -27.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 22.149 -25.711 -27.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 23.394 -25.355 -29.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 21.863 -25.813 -29.583 1.00 0.00 H new ATOM 195 N ASP A 14 24.962 -27.223 -25.922 1.00 0.00 N ATOM 196 CA ASP A 14 24.171 -26.057 -25.514 1.00 0.00 C ATOM 197 C ASP A 14 24.911 -25.209 -24.480 1.00 0.00 C ATOM 198 O ASP A 14 24.849 -23.981 -24.493 1.00 0.00 O ATOM 199 CB ASP A 14 22.738 -26.372 -25.078 1.00 0.00 C ATOM 200 CG ASP A 14 21.806 -25.193 -25.335 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.472 -24.939 -26.514 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.407 -24.513 -24.366 1.00 0.00 O ATOM 0 H ASP A 14 24.576 -28.138 -25.690 1.00 0.00 H new ATOM 0 HA ASP A 14 24.055 -25.465 -26.422 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.376 -27.248 -25.617 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.726 -26.623 -24.017 1.00 0.00 H new ATOM 207 N GLU A 15 25.673 -25.875 -23.621 1.00 0.00 N ATOM 208 CA GLU A 15 26.548 -25.141 -22.703 1.00 0.00 C ATOM 209 C GLU A 15 27.587 -24.281 -23.417 1.00 0.00 C ATOM 210 O GLU A 15 27.773 -23.109 -23.094 1.00 0.00 O ATOM 211 CB GLU A 15 27.247 -26.088 -21.708 1.00 0.00 C ATOM 212 CG GLU A 15 26.403 -26.319 -20.447 1.00 0.00 C ATOM 213 CD GLU A 15 26.383 -25.104 -19.524 1.00 0.00 C ATOM 214 OE1 GLU A 15 25.573 -24.181 -19.758 1.00 0.00 O ATOM 215 OE2 GLU A 15 27.169 -25.074 -18.554 1.00 0.00 O ATOM 0 H GLU A 15 25.707 -26.891 -23.537 1.00 0.00 H new ATOM 0 HA GLU A 15 25.891 -24.466 -22.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.443 -27.044 -22.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.213 -25.669 -21.426 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.382 -26.567 -20.738 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.797 -27.178 -19.903 1.00 0.00 H new ATOM 222 N CYS A 16 28.268 -24.853 -24.400 1.00 0.00 N ATOM 223 CA CYS A 16 29.318 -24.063 -25.078 1.00 0.00 C ATOM 224 C CYS A 16 28.776 -22.948 -25.996 1.00 0.00 C ATOM 225 O CYS A 16 29.444 -21.933 -26.186 1.00 0.00 O ATOM 226 CB CYS A 16 30.443 -24.858 -25.764 1.00 0.00 C ATOM 227 SG CYS A 16 31.656 -23.686 -26.456 1.00 0.00 S ATOM 0 H CYS A 16 28.135 -25.805 -24.741 1.00 0.00 H new ATOM 0 HA CYS A 16 29.801 -23.583 -24.227 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.927 -25.522 -25.047 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.033 -25.487 -26.554 1.00 0.00 H new ATOM 0 HG CYS A 16 32.859 -24.087 -26.170 1.00 0.00 H new ATOM 233 N MET A 17 27.585 -23.094 -26.584 1.00 0.00 N ATOM 234 CA MET A 17 27.026 -21.930 -27.307 1.00 0.00 C ATOM 235 C MET A 17 26.441 -20.891 -26.333 1.00 0.00 C ATOM 236 O MET A 17 26.538 -19.687 -26.567 1.00 0.00 O ATOM 237 CB MET A 17 26.025 -22.216 -28.438 1.00 0.00 C ATOM 238 CG MET A 17 26.071 -21.101 -29.504 1.00 0.00 C ATOM 239 SD MET A 17 26.892 -21.679 -31.010 1.00 0.00 S ATOM 240 CE MET A 17 28.187 -20.422 -31.205 1.00 0.00 C ATOM 0 H MET A 17 27.016 -23.941 -26.583 1.00 0.00 H new ATOM 0 HA MET A 17 27.900 -21.532 -27.822 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.255 -23.176 -28.899 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.018 -22.292 -28.028 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.058 -20.776 -29.740 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.600 -20.234 -29.107 1.00 0.00 H new ATOM 0 HE1 MET A 17 28.778 -20.643 -32.094 1.00 0.00 H new ATOM 0 HE2 MET A 17 27.727 -19.439 -31.311 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.834 -20.427 -30.328 1.00 0.00 H new ATOM 250 N LYS A 18 25.801 -21.341 -25.249 1.00 0.00 N ATOM 251 CA LYS A 18 25.381 -20.388 -24.220 1.00 0.00 C ATOM 252 C LYS A 18 26.566 -19.630 -23.610 1.00 0.00 C ATOM 253 O LYS A 18 26.543 -18.409 -23.448 1.00 0.00 O ATOM 254 CB LYS A 18 24.588 -21.104 -23.117 1.00 0.00 C ATOM 255 CG LYS A 18 23.290 -20.379 -22.741 1.00 0.00 C ATOM 256 CD LYS A 18 22.081 -21.199 -23.201 1.00 0.00 C ATOM 257 CE LYS A 18 21.875 -21.092 -24.713 1.00 0.00 C ATOM 258 NZ LYS A 18 20.816 -22.028 -25.129 1.00 0.00 N ATOM 0 H LYS A 18 25.570 -22.317 -25.065 1.00 0.00 H new ATOM 0 HA LYS A 18 24.740 -19.653 -24.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.350 -22.115 -23.447 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.215 -21.198 -22.230 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.248 -20.227 -21.662 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.268 -19.392 -23.203 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.222 -22.244 -22.925 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.186 -20.851 -22.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.601 -20.072 -24.983 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.804 -21.321 -25.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.929 -22.253 -26.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.885 -22.902 -24.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.885 -21.591 -24.974 1.00 0.00 H new ATOM 272 N ILE A 19 27.620 -20.370 -23.281 1.00 0.00 N ATOM 273 CA ILE A 19 28.855 -19.725 -22.827 1.00 0.00 C ATOM 274 C ILE A 19 29.485 -18.840 -23.903 1.00 0.00 C ATOM 275 O ILE A 19 30.051 -17.787 -23.618 1.00 0.00 O ATOM 276 CB ILE A 19 29.828 -20.762 -22.233 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.464 -20.238 -20.940 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.893 -21.242 -23.219 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.639 -19.304 -21.194 1.00 0.00 C ATOM 0 H ILE A 19 27.650 -21.389 -23.317 1.00 0.00 H new ATOM 0 HA ILE A 19 28.597 -19.039 -22.020 1.00 0.00 H new ATOM 0 HB ILE A 19 29.226 -21.640 -21.998 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.708 -19.712 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.801 -21.082 -20.339 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.540 -21.970 -22.730 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.410 -21.706 -24.079 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.489 -20.393 -23.553 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.047 -18.966 -20.242 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.411 -19.834 -21.752 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.301 -18.443 -21.770 1.00 0.00 H new ATOM 291 N PHE A 20 29.373 -19.259 -25.157 1.00 0.00 N ATOM 292 CA PHE A 20 29.792 -18.374 -26.243 1.00 0.00 C ATOM 293 C PHE A 20 28.994 -17.060 -26.220 1.00 0.00 C ATOM 294 O PHE A 20 29.556 -15.975 -26.290 1.00 0.00 O ATOM 295 CB PHE A 20 29.727 -19.054 -27.623 1.00 0.00 C ATOM 296 CG PHE A 20 30.474 -18.260 -28.682 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.809 -18.040 -28.571 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.770 -17.597 -29.628 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.376 -16.991 -29.213 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.322 -16.528 -30.252 1.00 0.00 C ATOM 301 CZ PHE A 20 31.622 -16.211 -30.021 1.00 0.00 C ATOM 0 H PHE A 20 29.011 -20.168 -25.444 1.00 0.00 H new ATOM 0 HA PHE A 20 30.842 -18.136 -26.071 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.151 -20.056 -27.554 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.685 -19.168 -27.923 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.418 -18.701 -27.972 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.772 -17.918 -29.885 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.426 -16.778 -29.080 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.730 -15.931 -30.930 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.054 -15.336 -30.483 1.00 0.00 H new ATOM 311 N ASP A 21 27.683 -17.151 -26.032 1.00 0.00 N ATOM 312 CA ASP A 21 26.875 -15.928 -25.936 1.00 0.00 C ATOM 313 C ASP A 21 27.146 -15.086 -24.677 1.00 0.00 C ATOM 314 O ASP A 21 27.079 -13.858 -24.701 1.00 0.00 O ATOM 315 CB ASP A 21 25.384 -16.261 -26.046 1.00 0.00 C ATOM 316 CG ASP A 21 24.596 -15.132 -26.697 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.173 -14.200 -25.981 1.00 0.00 O ATOM 318 OD2 ASP A 21 24.408 -15.163 -27.933 1.00 0.00 O ATOM 0 H ASP A 21 27.164 -18.025 -25.945 1.00 0.00 H new ATOM 0 HA ASP A 21 27.181 -15.307 -26.778 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.258 -17.174 -26.628 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.982 -16.458 -25.052 1.00 0.00 H new ATOM 323 N ILE A 22 27.430 -15.746 -23.560 1.00 0.00 N ATOM 324 CA ILE A 22 27.806 -14.966 -22.358 1.00 0.00 C ATOM 325 C ILE A 22 29.210 -14.360 -22.509 1.00 0.00 C ATOM 326 O ILE A 22 29.411 -13.152 -22.386 1.00 0.00 O ATOM 327 CB ILE A 22 27.742 -15.695 -20.982 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.357 -16.271 -20.651 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.117 -14.715 -19.862 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.521 -17.476 -19.724 1.00 0.00 C ATOM 0 H ILE A 22 27.414 -16.760 -23.448 1.00 0.00 H new ATOM 0 HA ILE A 22 27.024 -14.208 -22.324 1.00 0.00 H new ATOM 0 HB ILE A 22 28.443 -16.527 -21.053 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.739 -15.511 -20.173 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.846 -16.568 -21.566 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.072 -15.227 -18.901 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.128 -14.343 -20.028 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.418 -13.879 -19.861 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.540 -17.888 -19.486 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.124 -18.237 -20.220 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.016 -17.163 -18.804 1.00 0.00 H new ATOM 342 N PHE A 23 30.188 -15.218 -22.768 1.00 0.00 N ATOM 343 CA PHE A 23 31.579 -14.745 -22.802 1.00 0.00 C ATOM 344 C PHE A 23 31.937 -13.960 -24.059 1.00 0.00 C ATOM 345 O PHE A 23 32.836 -13.117 -24.037 1.00 0.00 O ATOM 346 CB PHE A 23 32.573 -15.896 -22.605 1.00 0.00 C ATOM 347 CG PHE A 23 32.718 -16.264 -21.134 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.650 -16.151 -20.306 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.944 -16.465 -20.596 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.840 -15.843 -19.001 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.146 -16.193 -19.281 1.00 0.00 C ATOM 352 CZ PHE A 23 33.099 -15.826 -18.495 1.00 0.00 C ATOM 0 H PHE A 23 30.060 -16.213 -22.953 1.00 0.00 H new ATOM 0 HA PHE A 23 31.658 -14.051 -21.965 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.238 -16.767 -23.168 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.545 -15.611 -23.007 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.651 -16.306 -20.686 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.753 -16.838 -21.206 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.996 -15.613 -18.368 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.138 -16.268 -18.860 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.269 -15.522 -17.473 1.00 0.00 H new ATOM 362 N ASP A 24 31.254 -14.224 -25.171 1.00 0.00 N ATOM 363 CA ASP A 24 31.576 -13.462 -26.369 1.00 0.00 C ATOM 364 C ASP A 24 31.025 -12.013 -26.338 1.00 0.00 C ATOM 365 O ASP A 24 31.133 -11.274 -27.313 1.00 0.00 O ATOM 366 CB ASP A 24 31.203 -14.160 -27.690 1.00 0.00 C ATOM 367 CG ASP A 24 29.864 -13.720 -28.291 1.00 0.00 C ATOM 368 OD1 ASP A 24 28.832 -13.784 -27.592 1.00 0.00 O ATOM 369 OD2 ASP A 24 29.847 -13.304 -29.471 1.00 0.00 O ATOM 0 H ASP A 24 30.515 -14.920 -25.266 1.00 0.00 H new ATOM 0 HA ASP A 24 32.664 -13.406 -26.349 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.992 -13.973 -28.419 1.00 0.00 H new ATOM 0 HB3 ASP A 24 31.174 -15.236 -27.521 1.00 0.00 H new ATOM 437 N ASN A 29 33.463 -9.926 -28.794 1.00 0.00 N ATOM 438 CA ASN A 29 33.345 -10.802 -29.978 1.00 0.00 C ATOM 439 C ASN A 29 34.489 -11.803 -30.090 1.00 0.00 C ATOM 440 O ASN A 29 34.315 -12.895 -30.630 1.00 0.00 O ATOM 441 CB ASN A 29 33.098 -10.068 -31.318 1.00 0.00 C ATOM 442 CG ASN A 29 31.665 -10.231 -31.839 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.977 -9.256 -32.137 1.00 0.00 O ATOM 444 ND2 ASN A 29 31.212 -11.462 -32.004 1.00 0.00 N ATOM 0 HA ASN A 29 32.429 -11.362 -29.790 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.313 -9.007 -31.189 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.795 -10.446 -32.066 1.00 0.00 H new ATOM 0 HD21 ASN A 29 30.278 -11.615 -32.384 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.797 -12.259 -31.751 1.00 0.00 H new ATOM 451 N ILE A 30 35.667 -11.441 -29.599 1.00 0.00 N ATOM 452 CA ILE A 30 36.756 -12.415 -29.595 1.00 0.00 C ATOM 453 C ILE A 30 37.257 -12.591 -28.149 1.00 0.00 C ATOM 454 O ILE A 30 37.973 -11.750 -27.605 1.00 0.00 O ATOM 455 CB ILE A 30 37.851 -12.129 -30.652 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.387 -10.688 -30.528 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.306 -12.354 -32.065 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.376 -10.340 -31.652 1.00 0.00 C ATOM 0 H ILE A 30 35.891 -10.523 -29.214 1.00 0.00 H new ATOM 0 HA ILE A 30 36.379 -13.382 -29.928 1.00 0.00 H new ATOM 0 HB ILE A 30 38.673 -12.821 -30.468 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.552 -9.988 -30.551 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.879 -10.566 -29.563 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.090 -12.148 -32.794 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.977 -13.388 -32.168 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.463 -11.686 -32.240 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.727 -9.316 -31.524 1.00 0.00 H new ATOM 0 HD12 ILE A 30 40.225 -11.022 -31.614 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.878 -10.435 -32.617 1.00 0.00 H new ATOM 470 N ALA A 31 36.812 -13.667 -27.502 1.00 0.00 N ATOM 471 CA ALA A 31 37.129 -13.845 -26.070 1.00 0.00 C ATOM 472 C ALA A 31 38.478 -14.555 -25.832 1.00 0.00 C ATOM 473 O ALA A 31 38.730 -15.608 -26.404 1.00 0.00 O ATOM 474 CB ALA A 31 36.009 -14.589 -25.341 1.00 0.00 C ATOM 0 H ALA A 31 36.250 -14.409 -27.920 1.00 0.00 H new ATOM 0 HA ALA A 31 37.217 -12.840 -25.658 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.273 -14.704 -24.290 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.082 -14.021 -25.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.873 -15.573 -25.790 1.00 0.00 H new ATOM 480 N PRO A 32 39.340 -14.069 -24.929 1.00 0.00 N ATOM 481 CA PRO A 32 40.732 -14.549 -24.913 1.00 0.00 C ATOM 482 C PRO A 32 40.914 -15.822 -24.052 1.00 0.00 C ATOM 483 O PRO A 32 39.954 -16.423 -23.573 1.00 0.00 O ATOM 484 CB PRO A 32 41.485 -13.361 -24.295 1.00 0.00 C ATOM 485 CG PRO A 32 40.442 -12.487 -23.592 1.00 0.00 C ATOM 486 CD PRO A 32 39.116 -12.780 -24.281 1.00 0.00 C ATOM 0 HA PRO A 32 41.085 -14.838 -25.903 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.238 -13.708 -23.587 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.008 -12.794 -25.065 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.389 -12.721 -22.529 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.699 -11.431 -23.673 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.295 -12.829 -23.565 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.862 -12.006 -25.006 1.00 0.00 H new ATOM 494 N VAL A 33 42.172 -16.235 -23.853 1.00 0.00 N ATOM 495 CA VAL A 33 42.446 -17.365 -22.910 1.00 0.00 C ATOM 496 C VAL A 33 41.764 -17.213 -21.550 1.00 0.00 C ATOM 497 O VAL A 33 41.219 -18.171 -21.003 1.00 0.00 O ATOM 498 CB VAL A 33 43.946 -17.599 -22.608 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.510 -18.710 -23.488 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.777 -16.316 -22.748 1.00 0.00 C ATOM 0 H VAL A 33 42.995 -15.835 -24.303 1.00 0.00 H new ATOM 0 HA VAL A 33 42.036 -18.213 -23.458 1.00 0.00 H new ATOM 0 HB VAL A 33 44.016 -17.911 -21.566 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.565 -18.856 -23.258 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.966 -19.635 -23.299 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.402 -18.433 -24.537 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.822 -16.533 -22.526 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.694 -15.938 -23.767 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.406 -15.565 -22.051 1.00 0.00 H new ATOM 510 N SER A 34 41.860 -16.032 -20.953 1.00 0.00 N ATOM 511 CA SER A 34 41.237 -15.855 -19.632 1.00 0.00 C ATOM 512 C SER A 34 39.753 -16.243 -19.613 1.00 0.00 C ATOM 513 O SER A 34 39.255 -16.809 -18.640 1.00 0.00 O ATOM 514 CB SER A 34 41.446 -14.450 -19.058 1.00 0.00 C ATOM 515 OG SER A 34 40.769 -13.489 -19.857 1.00 0.00 O ATOM 0 H SER A 34 42.337 -15.214 -21.332 1.00 0.00 H new ATOM 0 HA SER A 34 41.759 -16.552 -18.977 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.075 -14.409 -18.034 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.511 -14.219 -19.021 1.00 0.00 H new ATOM 0 HG SER A 34 40.907 -12.595 -19.481 1.00 0.00 H new ATOM 521 N ASP A 35 39.046 -15.959 -20.706 1.00 0.00 N ATOM 522 CA ASP A 35 37.683 -16.500 -20.840 1.00 0.00 C ATOM 523 C ASP A 35 37.646 -18.042 -20.721 1.00 0.00 C ATOM 524 O ASP A 35 36.820 -18.632 -20.016 1.00 0.00 O ATOM 525 CB ASP A 35 36.989 -15.951 -22.111 1.00 0.00 C ATOM 526 CG ASP A 35 36.644 -17.014 -23.159 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.571 -17.596 -23.763 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.440 -17.255 -23.393 1.00 0.00 O ATOM 0 H ASP A 35 39.370 -15.384 -21.483 1.00 0.00 H new ATOM 0 HA ASP A 35 37.095 -16.144 -19.994 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.073 -15.439 -21.816 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.638 -15.205 -22.570 1.00 0.00 H new ATOM 533 N THR A 36 38.606 -18.674 -21.386 1.00 0.00 N ATOM 534 CA THR A 36 38.714 -20.133 -21.351 1.00 0.00 C ATOM 535 C THR A 36 38.964 -20.707 -19.936 1.00 0.00 C ATOM 536 O THR A 36 38.397 -21.738 -19.571 1.00 0.00 O ATOM 537 CB THR A 36 39.724 -20.593 -22.429 1.00 0.00 C ATOM 538 OG1 THR A 36 39.248 -20.184 -23.705 1.00 0.00 O ATOM 539 CG2 THR A 36 39.927 -22.103 -22.464 1.00 0.00 C ATOM 0 H THR A 36 39.315 -18.208 -21.951 1.00 0.00 H new ATOM 0 HA THR A 36 37.745 -20.563 -21.605 1.00 0.00 H new ATOM 0 HB THR A 36 40.682 -20.138 -22.178 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.869 -19.283 -23.639 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.647 -22.355 -23.242 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.302 -22.442 -21.499 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.977 -22.593 -22.676 1.00 0.00 H new ATOM 547 N MET A 37 39.754 -20.022 -19.099 1.00 0.00 N ATOM 548 CA MET A 37 39.928 -20.514 -17.724 1.00 0.00 C ATOM 549 C MET A 37 38.702 -20.258 -16.854 1.00 0.00 C ATOM 550 O MET A 37 38.209 -21.156 -16.167 1.00 0.00 O ATOM 551 CB MET A 37 41.159 -19.921 -17.028 1.00 0.00 C ATOM 552 CG MET A 37 42.460 -20.328 -17.707 1.00 0.00 C ATOM 553 SD MET A 37 42.738 -19.304 -19.153 1.00 0.00 S ATOM 554 CE MET A 37 42.698 -20.592 -20.401 1.00 0.00 C ATOM 0 H MET A 37 40.261 -19.168 -19.331 1.00 0.00 H new ATOM 0 HA MET A 37 40.072 -21.589 -17.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.081 -18.834 -17.020 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.177 -20.247 -15.988 1.00 0.00 H new ATOM 0 HG2 MET A 37 43.292 -20.224 -17.011 1.00 0.00 H new ATOM 0 HG3 MET A 37 42.417 -21.378 -17.997 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.783 -20.143 -21.390 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.529 -21.279 -20.242 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.757 -21.138 -20.330 1.00 0.00 H new ATOM 564 N ASP A 38 38.246 -19.005 -16.842 1.00 0.00 N ATOM 565 CA ASP A 38 36.987 -18.685 -16.152 1.00 0.00 C ATOM 566 C ASP A 38 35.903 -19.747 -16.324 1.00 0.00 C ATOM 567 O ASP A 38 35.355 -20.281 -15.357 1.00 0.00 O ATOM 568 CB ASP A 38 36.423 -17.351 -16.634 1.00 0.00 C ATOM 569 CG ASP A 38 37.063 -16.160 -15.930 1.00 0.00 C ATOM 570 OD1 ASP A 38 36.871 -16.012 -14.704 1.00 0.00 O ATOM 571 OD2 ASP A 38 37.750 -15.360 -16.602 1.00 0.00 O ATOM 0 H ASP A 38 38.710 -18.213 -17.287 1.00 0.00 H new ATOM 0 HA ASP A 38 37.250 -18.639 -15.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.579 -17.261 -17.709 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.346 -17.333 -16.466 1.00 0.00 H new ATOM 576 N MET A 39 35.615 -20.082 -17.572 1.00 0.00 N ATOM 577 CA MET A 39 34.441 -20.915 -17.810 1.00 0.00 C ATOM 578 C MET A 39 34.692 -22.408 -17.974 1.00 0.00 C ATOM 579 O MET A 39 33.800 -23.211 -17.713 1.00 0.00 O ATOM 580 CB MET A 39 33.567 -20.272 -18.862 1.00 0.00 C ATOM 581 CG MET A 39 32.659 -19.228 -18.195 1.00 0.00 C ATOM 582 SD MET A 39 31.043 -19.952 -17.855 1.00 0.00 S ATOM 583 CE MET A 39 30.086 -18.447 -17.615 1.00 0.00 C ATOM 0 H MET A 39 36.145 -19.809 -18.399 1.00 0.00 H new ATOM 0 HA MET A 39 33.873 -20.938 -16.880 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.185 -19.799 -19.626 1.00 0.00 H new ATOM 0 HB3 MET A 39 32.964 -21.029 -19.363 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.113 -18.877 -17.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 32.549 -18.360 -18.845 1.00 0.00 H new ATOM 0 HE1 MET A 39 29.129 -18.694 -17.155 1.00 0.00 H new ATOM 0 HE2 MET A 39 30.636 -17.766 -16.965 1.00 0.00 H new ATOM 0 HE3 MET A 39 29.913 -17.968 -18.579 1.00 0.00 H new ATOM 593 N LEU A 40 35.881 -22.835 -18.380 1.00 0.00 N ATOM 594 CA LEU A 40 36.167 -24.268 -18.221 1.00 0.00 C ATOM 595 C LEU A 40 36.353 -24.645 -16.736 1.00 0.00 C ATOM 596 O LEU A 40 36.288 -25.815 -16.364 1.00 0.00 O ATOM 597 CB LEU A 40 37.279 -24.812 -19.133 1.00 0.00 C ATOM 598 CG LEU A 40 36.852 -25.073 -20.602 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.342 -25.027 -20.844 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.543 -24.085 -21.529 1.00 0.00 C ATOM 0 H LEU A 40 36.619 -22.265 -18.793 1.00 0.00 H new ATOM 0 HA LEU A 40 35.277 -24.785 -18.579 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.108 -24.105 -19.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.654 -25.743 -18.708 1.00 0.00 H new ATOM 0 HG LEU A 40 37.162 -26.095 -20.818 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.136 -25.220 -21.897 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.852 -25.786 -20.233 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.960 -24.042 -20.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.237 -24.276 -22.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.264 -23.069 -21.250 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.623 -24.201 -21.444 1.00 0.00 H new ATOM 612 N THR A 41 36.551 -23.646 -15.874 1.00 0.00 N ATOM 613 CA THR A 41 36.471 -23.910 -14.436 1.00 0.00 C ATOM 614 C THR A 41 35.012 -23.912 -13.939 1.00 0.00 C ATOM 615 O THR A 41 34.592 -24.798 -13.194 1.00 0.00 O ATOM 616 CB THR A 41 37.313 -22.913 -13.618 1.00 0.00 C ATOM 617 OG1 THR A 41 38.617 -22.828 -14.176 1.00 0.00 O ATOM 618 CG2 THR A 41 37.432 -23.347 -12.154 1.00 0.00 C ATOM 0 H THR A 41 36.760 -22.682 -16.132 1.00 0.00 H new ATOM 0 HA THR A 41 36.887 -24.906 -14.281 1.00 0.00 H new ATOM 0 HB THR A 41 36.814 -21.945 -13.654 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.564 -22.441 -15.075 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.033 -22.620 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.438 -23.405 -11.710 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.910 -24.325 -12.102 1.00 0.00 H new ATOM 626 N LYS A 42 34.226 -22.923 -14.371 1.00 0.00 N ATOM 627 CA LYS A 42 32.850 -22.824 -13.858 1.00 0.00 C ATOM 628 C LYS A 42 31.775 -23.502 -14.723 1.00 0.00 C ATOM 629 O LYS A 42 30.919 -24.227 -14.214 1.00 0.00 O ATOM 630 CB LYS A 42 32.483 -21.360 -13.562 1.00 0.00 C ATOM 631 CG LYS A 42 31.168 -21.229 -12.776 1.00 0.00 C ATOM 632 CD LYS A 42 29.988 -20.857 -13.688 1.00 0.00 C ATOM 633 CE LYS A 42 30.048 -19.396 -14.150 1.00 0.00 C ATOM 634 NZ LYS A 42 29.781 -18.490 -13.017 1.00 0.00 N ATOM 0 H LYS A 42 34.498 -22.207 -15.044 1.00 0.00 H new ATOM 0 HA LYS A 42 32.854 -23.396 -12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 42 33.289 -20.894 -12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 42 32.397 -20.814 -14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.953 -22.170 -12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.282 -20.470 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.985 -21.512 -14.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 29.052 -21.030 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 42 31.029 -19.181 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 42 29.316 -19.227 -14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 29.556 -17.541 -13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 28.976 -18.851 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.622 -18.439 -12.408 1.00 0.00 H new ATOM 648 N LEU A 43 31.784 -23.242 -16.027 1.00 0.00 N ATOM 649 CA LEU A 43 30.727 -23.797 -16.874 1.00 0.00 C ATOM 650 C LEU A 43 30.746 -25.337 -16.976 1.00 0.00 C ATOM 651 O LEU A 43 29.735 -25.967 -17.282 1.00 0.00 O ATOM 652 CB LEU A 43 30.706 -23.036 -18.225 1.00 0.00 C ATOM 653 CG LEU A 43 30.703 -23.915 -19.492 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.548 -23.507 -20.392 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.984 -23.749 -20.302 1.00 0.00 C ATOM 0 H LEU A 43 32.481 -22.674 -16.508 1.00 0.00 H new ATOM 0 HA LEU A 43 29.763 -23.626 -16.394 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.823 -22.398 -18.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.575 -22.379 -18.264 1.00 0.00 H new ATOM 0 HG LEU A 43 30.613 -24.950 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.547 -24.129 -21.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.607 -23.638 -19.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.661 -22.461 -20.677 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.941 -24.386 -21.186 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.088 -22.708 -20.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.840 -24.034 -19.691 1.00 0.00 H new ATOM 667 N GLY A 44 31.892 -25.948 -16.689 1.00 0.00 N ATOM 668 CA GLY A 44 31.971 -27.414 -16.836 1.00 0.00 C ATOM 669 C GLY A 44 32.861 -28.085 -15.783 1.00 0.00 C ATOM 670 O GLY A 44 32.635 -29.238 -15.418 1.00 0.00 O ATOM 0 H GLY A 44 32.744 -25.488 -16.369 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.967 -27.833 -16.772 1.00 0.00 H new ATOM 0 HA3 GLY A 44 32.353 -27.652 -17.829 1.00 0.00 H new ATOM 674 N GLN A 45 33.892 -27.388 -15.309 1.00 0.00 N ATOM 675 CA GLN A 45 34.815 -28.000 -14.337 1.00 0.00 C ATOM 676 C GLN A 45 35.795 -28.972 -15.010 1.00 0.00 C ATOM 677 O GLN A 45 35.732 -30.191 -14.840 1.00 0.00 O ATOM 678 CB GLN A 45 34.118 -28.614 -13.109 1.00 0.00 C ATOM 679 CG GLN A 45 35.053 -28.664 -11.893 1.00 0.00 C ATOM 680 CD GLN A 45 34.306 -29.127 -10.648 1.00 0.00 C ATOM 681 OE1 GLN A 45 34.192 -30.318 -10.366 1.00 0.00 O ATOM 682 NE2 GLN A 45 33.784 -28.185 -9.887 1.00 0.00 N ATOM 0 H GLN A 45 34.112 -26.426 -15.568 1.00 0.00 H new ATOM 0 HA GLN A 45 35.405 -27.176 -13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.232 -28.029 -12.863 1.00 0.00 H new ATOM 0 HB3 GLN A 45 33.778 -29.622 -13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 45 35.883 -29.340 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 45 35.481 -27.677 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.893 -27.204 -10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.271 -28.438 -9.042 1.00 0.00 H new ATOM 691 N THR A 46 36.731 -28.401 -15.766 1.00 0.00 N ATOM 692 CA THR A 46 37.735 -29.216 -16.470 1.00 0.00 C ATOM 693 C THR A 46 37.110 -30.258 -17.454 1.00 0.00 C ATOM 694 O THR A 46 35.892 -30.290 -17.641 1.00 0.00 O ATOM 695 CB THR A 46 38.886 -29.757 -15.565 1.00 0.00 C ATOM 696 OG1 THR A 46 38.997 -31.167 -15.695 1.00 0.00 O ATOM 697 CG2 THR A 46 38.706 -29.428 -14.077 1.00 0.00 C ATOM 0 H THR A 46 36.820 -27.395 -15.909 1.00 0.00 H new ATOM 0 HA THR A 46 38.259 -28.517 -17.122 1.00 0.00 H new ATOM 0 HB THR A 46 39.789 -29.255 -15.912 1.00 0.00 H new ATOM 0 HG1 THR A 46 39.724 -31.492 -15.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 39.543 -29.835 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 46 38.671 -28.347 -13.945 1.00 0.00 H new ATOM 0 HG23 THR A 46 37.776 -29.868 -13.717 1.00 0.00 H new ATOM 705 N TYR A 47 37.926 -31.076 -18.137 1.00 0.00 N ATOM 706 CA TYR A 47 37.339 -32.033 -19.088 1.00 0.00 C ATOM 707 C TYR A 47 37.986 -33.423 -18.898 1.00 0.00 C ATOM 708 O TYR A 47 37.639 -34.163 -17.977 1.00 0.00 O ATOM 709 CB TYR A 47 37.434 -31.542 -20.544 1.00 0.00 C ATOM 710 CG TYR A 47 36.130 -31.008 -21.113 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.898 -29.673 -21.091 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.330 -31.796 -21.879 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.653 -29.212 -21.386 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.084 -31.345 -22.196 1.00 0.00 C ATOM 715 CZ TYR A 47 33.737 -30.063 -21.916 1.00 0.00 C ATOM 716 OH TYR A 47 32.443 -29.651 -22.098 1.00 0.00 O ATOM 0 H TYR A 47 38.943 -31.098 -18.057 1.00 0.00 H new ATOM 0 HA TYR A 47 36.274 -32.117 -18.874 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.189 -30.758 -20.602 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.780 -32.365 -21.170 1.00 0.00 H new ATOM 0 HD1 TYR A 47 36.692 -28.984 -20.842 1.00 0.00 H new ATOM 0 HD2 TYR A 47 35.674 -32.758 -22.229 1.00 0.00 H new ATOM 0 HE1 TYR A 47 34.395 -28.180 -21.201 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.374 -32.007 -22.669 1.00 0.00 H new ATOM 0 HH TYR A 47 31.844 -30.207 -21.557 1.00 0.00 H new ATOM 726 N THR A 48 38.945 -33.777 -19.758 1.00 0.00 N ATOM 727 CA THR A 48 39.713 -35.004 -19.515 1.00 0.00 C ATOM 728 C THR A 48 41.004 -34.678 -18.752 1.00 0.00 C ATOM 729 O THR A 48 41.060 -34.781 -17.527 1.00 0.00 O ATOM 730 CB THR A 48 39.984 -35.812 -20.799 1.00 0.00 C ATOM 731 OG1 THR A 48 40.527 -34.953 -21.797 1.00 0.00 O ATOM 732 CG2 THR A 48 38.696 -36.438 -21.335 1.00 0.00 C ATOM 0 H THR A 48 39.203 -33.257 -20.597 1.00 0.00 H new ATOM 0 HA THR A 48 39.100 -35.655 -18.892 1.00 0.00 H new ATOM 0 HB THR A 48 40.689 -36.607 -20.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 40.730 -35.474 -22.602 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.916 -37.002 -22.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 38.276 -37.107 -20.584 1.00 0.00 H new ATOM 0 HG23 THR A 48 37.977 -35.651 -21.563 1.00 0.00 H new ATOM 740 N LYS A 49 42.048 -34.266 -19.472 1.00 0.00 N ATOM 741 CA LYS A 49 43.270 -33.826 -18.782 1.00 0.00 C ATOM 742 C LYS A 49 44.215 -33.047 -19.712 1.00 0.00 C ATOM 743 O LYS A 49 44.281 -31.818 -19.666 1.00 0.00 O ATOM 744 CB LYS A 49 43.995 -34.964 -18.032 1.00 0.00 C ATOM 745 CG LYS A 49 45.315 -34.511 -17.382 1.00 0.00 C ATOM 746 CD LYS A 49 45.115 -33.304 -16.455 1.00 0.00 C ATOM 747 CE LYS A 49 46.403 -32.954 -15.708 1.00 0.00 C ATOM 748 NZ LYS A 49 47.405 -32.401 -16.639 1.00 0.00 N ATOM 0 H LYS A 49 42.080 -34.226 -20.491 1.00 0.00 H new ATOM 0 HA LYS A 49 42.938 -33.131 -18.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.335 -35.362 -17.261 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.200 -35.778 -18.728 1.00 0.00 H new ATOM 0 HG2 LYS A 49 45.742 -35.338 -16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 49 46.033 -34.255 -18.161 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.787 -32.445 -17.040 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.324 -33.522 -15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.189 -32.230 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 49 46.802 -33.844 -15.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.241 -32.090 -16.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.684 -33.133 -17.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.997 -31.590 -17.146 1.00 0.00 H new ATOM 762 N ARG A 50 44.953 -33.760 -20.560 1.00 0.00 N ATOM 763 CA ARG A 50 45.941 -33.068 -21.409 1.00 0.00 C ATOM 764 C ARG A 50 45.357 -32.507 -22.717 1.00 0.00 C ATOM 765 O ARG A 50 45.789 -31.471 -23.224 1.00 0.00 O ATOM 766 CB ARG A 50 47.144 -33.974 -21.712 1.00 0.00 C ATOM 767 CG ARG A 50 48.420 -33.173 -22.009 1.00 0.00 C ATOM 768 CD ARG A 50 49.133 -32.745 -20.718 1.00 0.00 C ATOM 769 NE ARG A 50 48.914 -31.312 -20.456 1.00 0.00 N ATOM 770 CZ ARG A 50 49.833 -30.425 -20.831 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.659 -30.685 -21.825 1.00 0.00 N ATOM 772 NH2 ARG A 50 49.899 -29.261 -20.220 1.00 0.00 N ATOM 0 H ARG A 50 44.898 -34.771 -20.682 1.00 0.00 H new ATOM 0 HA ARG A 50 46.271 -32.209 -20.825 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.322 -34.633 -20.863 1.00 0.00 H new ATOM 0 HB3 ARG A 50 46.910 -34.610 -22.566 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.096 -33.776 -22.616 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.167 -32.290 -22.596 1.00 0.00 H new ATOM 0 HD2 ARG A 50 48.763 -33.334 -19.879 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.201 -32.946 -20.802 1.00 0.00 H new ATOM 0 HE ARG A 50 48.062 -31.001 -19.989 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.599 -31.576 -22.318 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.358 -29.995 -22.101 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.249 -29.044 -19.465 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.600 -28.576 -20.502 1.00 0.00 H new ATOM 786 N GLU A 51 44.374 -33.201 -23.271 1.00 0.00 N ATOM 787 CA GLU A 51 43.776 -32.748 -24.538 1.00 0.00 C ATOM 788 C GLU A 51 42.892 -31.498 -24.356 1.00 0.00 C ATOM 789 O GLU A 51 42.947 -30.519 -25.108 1.00 0.00 O ATOM 790 CB GLU A 51 42.983 -33.871 -25.235 1.00 0.00 C ATOM 791 CG GLU A 51 43.535 -35.281 -24.956 1.00 0.00 C ATOM 792 CD GLU A 51 43.025 -35.823 -23.623 1.00 0.00 C ATOM 793 OE1 GLU A 51 41.821 -36.145 -23.520 1.00 0.00 O ATOM 794 OE2 GLU A 51 43.825 -35.911 -22.666 1.00 0.00 O ATOM 0 H GLU A 51 43.976 -34.057 -22.884 1.00 0.00 H new ATOM 0 HA GLU A 51 44.611 -32.472 -25.182 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.944 -33.826 -24.910 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.988 -33.694 -26.311 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.241 -35.955 -25.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.625 -35.252 -24.946 1.00 0.00 H new ATOM 801 N THR A 52 42.044 -31.526 -23.344 1.00 0.00 N ATOM 802 CA THR A 52 41.315 -30.302 -23.015 1.00 0.00 C ATOM 803 C THR A 52 42.251 -29.185 -22.502 1.00 0.00 C ATOM 804 O THR A 52 42.000 -27.995 -22.686 1.00 0.00 O ATOM 805 CB THR A 52 40.116 -30.538 -22.097 1.00 0.00 C ATOM 806 OG1 THR A 52 40.192 -31.838 -21.531 1.00 0.00 O ATOM 807 CG2 THR A 52 38.794 -30.436 -22.878 1.00 0.00 C ATOM 0 H THR A 52 41.845 -32.336 -22.758 1.00 0.00 H new ATOM 0 HA THR A 52 40.891 -29.946 -23.954 1.00 0.00 H new ATOM 0 HB THR A 52 40.139 -29.776 -21.318 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.546 -31.778 -20.619 1.00 0.00 H new ATOM 0 HG21 THR A 52 37.957 -30.608 -22.201 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.707 -29.442 -23.317 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.780 -31.185 -23.670 1.00 0.00 H new ATOM 815 N GLU A 53 43.352 -29.563 -21.860 1.00 0.00 N ATOM 816 CA GLU A 53 44.436 -28.583 -21.656 1.00 0.00 C ATOM 817 C GLU A 53 44.859 -27.938 -22.994 1.00 0.00 C ATOM 818 O GLU A 53 45.206 -26.759 -23.065 1.00 0.00 O ATOM 819 CB GLU A 53 45.664 -29.183 -20.956 1.00 0.00 C ATOM 820 CG GLU A 53 45.726 -28.789 -19.474 1.00 0.00 C ATOM 821 CD GLU A 53 46.963 -29.369 -18.806 1.00 0.00 C ATOM 822 OE1 GLU A 53 46.992 -30.591 -18.545 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.922 -28.610 -18.552 1.00 0.00 O ATOM 0 H GLU A 53 43.523 -30.495 -21.483 1.00 0.00 H new ATOM 0 HA GLU A 53 44.029 -27.817 -20.996 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.637 -30.269 -21.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.570 -28.846 -21.460 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.735 -27.703 -19.383 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.832 -29.144 -18.962 1.00 0.00 H new ATOM 830 N ALA A 54 44.846 -28.747 -24.056 1.00 0.00 N ATOM 831 CA ALA A 54 44.972 -28.189 -25.412 1.00 0.00 C ATOM 832 C ALA A 54 43.971 -27.066 -25.659 1.00 0.00 C ATOM 833 O ALA A 54 44.345 -25.987 -26.114 1.00 0.00 O ATOM 834 CB ALA A 54 44.789 -29.215 -26.533 1.00 0.00 C ATOM 0 H ALA A 54 44.753 -29.762 -24.012 1.00 0.00 H new ATOM 0 HA ALA A 54 45.996 -27.817 -25.444 1.00 0.00 H new ATOM 0 HB1 ALA A 54 44.897 -28.722 -27.499 1.00 0.00 H new ATOM 0 HB2 ALA A 54 45.543 -29.996 -26.438 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.796 -29.659 -26.462 1.00 0.00 H new ATOM 840 N ILE A 55 42.685 -27.321 -25.379 1.00 0.00 N ATOM 841 CA ILE A 55 41.707 -26.192 -25.393 1.00 0.00 C ATOM 842 C ILE A 55 42.323 -24.929 -24.756 1.00 0.00 C ATOM 843 O ILE A 55 42.455 -23.864 -25.368 1.00 0.00 O ATOM 844 CB ILE A 55 40.409 -26.376 -24.551 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.517 -27.541 -24.910 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.579 -25.090 -24.585 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.415 -27.736 -23.878 1.00 0.00 C ATOM 0 H ILE A 55 42.300 -28.238 -25.151 1.00 0.00 H new ATOM 0 HA ILE A 55 41.464 -26.131 -26.454 1.00 0.00 H new ATOM 0 HB ILE A 55 40.782 -26.609 -23.554 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.073 -27.372 -25.891 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.114 -28.450 -24.983 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.673 -25.226 -23.994 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.163 -24.269 -24.170 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.309 -24.858 -25.615 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.792 -28.582 -24.167 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.860 -27.930 -22.902 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.803 -26.836 -23.825 1.00 0.00 H new ATOM 859 N MET A 56 42.703 -25.101 -23.495 1.00 0.00 N ATOM 860 CA MET A 56 43.115 -23.962 -22.673 1.00 0.00 C ATOM 861 C MET A 56 44.372 -23.235 -23.160 1.00 0.00 C ATOM 862 O MET A 56 44.539 -22.034 -22.952 1.00 0.00 O ATOM 863 CB MET A 56 43.242 -24.428 -21.217 1.00 0.00 C ATOM 864 CG MET A 56 41.896 -24.967 -20.705 1.00 0.00 C ATOM 865 SD MET A 56 42.111 -26.576 -19.907 1.00 0.00 S ATOM 866 CE MET A 56 40.452 -27.284 -20.124 1.00 0.00 C ATOM 0 H MET A 56 42.736 -26.004 -23.022 1.00 0.00 H new ATOM 0 HA MET A 56 42.337 -23.203 -22.760 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.003 -25.204 -21.143 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.570 -23.598 -20.591 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.461 -24.260 -19.998 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.196 -25.058 -21.535 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.421 -28.280 -19.683 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.717 -26.647 -19.632 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.221 -27.350 -21.187 1.00 0.00 H new ATOM 876 N LYS A 57 45.256 -23.966 -23.817 1.00 0.00 N ATOM 877 CA LYS A 57 46.470 -23.324 -24.344 1.00 0.00 C ATOM 878 C LYS A 57 46.301 -22.765 -25.778 1.00 0.00 C ATOM 879 O LYS A 57 46.907 -21.757 -26.140 1.00 0.00 O ATOM 880 CB LYS A 57 47.732 -24.197 -24.135 1.00 0.00 C ATOM 881 CG LYS A 57 48.439 -24.625 -25.433 1.00 0.00 C ATOM 882 CD LYS A 57 47.712 -25.796 -26.100 1.00 0.00 C ATOM 883 CE LYS A 57 48.024 -25.856 -27.597 1.00 0.00 C ATOM 884 NZ LYS A 57 47.201 -26.898 -28.240 1.00 0.00 N ATOM 0 H LYS A 57 45.173 -24.966 -23.999 1.00 0.00 H new ATOM 0 HA LYS A 57 46.637 -22.432 -23.740 1.00 0.00 H new ATOM 0 HB2 LYS A 57 48.440 -23.646 -23.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.451 -25.091 -23.579 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.483 -23.781 -26.122 1.00 0.00 H new ATOM 0 HG3 LYS A 57 49.468 -24.910 -25.213 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.010 -26.731 -25.625 1.00 0.00 H new ATOM 0 HD3 LYS A 57 46.637 -25.692 -25.953 1.00 0.00 H new ATOM 0 HE2 LYS A 57 47.826 -24.888 -28.058 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.082 -26.071 -27.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 47.380 -26.899 -29.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 47.447 -27.828 -27.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 46.195 -26.703 -28.065 1.00 0.00 H new ATOM 898 N GLU A 58 45.473 -23.413 -26.598 1.00 0.00 N ATOM 899 CA GLU A 58 45.322 -22.952 -27.992 1.00 0.00 C ATOM 900 C GLU A 58 44.347 -21.780 -28.182 1.00 0.00 C ATOM 901 O GLU A 58 44.431 -21.053 -29.172 1.00 0.00 O ATOM 902 CB GLU A 58 44.976 -24.092 -28.958 1.00 0.00 C ATOM 903 CG GLU A 58 43.585 -24.680 -28.686 1.00 0.00 C ATOM 904 CD GLU A 58 43.489 -26.121 -29.172 1.00 0.00 C ATOM 905 OE1 GLU A 58 44.458 -26.890 -28.980 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.439 -26.496 -29.737 1.00 0.00 O ATOM 0 H GLU A 58 44.914 -24.227 -26.343 1.00 0.00 H new ATOM 0 HA GLU A 58 46.312 -22.570 -28.241 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.019 -23.723 -29.983 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.725 -24.879 -28.871 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.373 -24.639 -27.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.828 -24.075 -29.184 1.00 0.00 H new ATOM 913 N ALA A 59 43.403 -21.605 -27.256 1.00 0.00 N ATOM 914 CA ALA A 59 42.485 -20.455 -27.362 1.00 0.00 C ATOM 915 C ALA A 59 43.226 -19.143 -27.655 1.00 0.00 C ATOM 916 O ALA A 59 42.924 -18.424 -28.610 1.00 0.00 O ATOM 917 CB ALA A 59 41.596 -20.316 -26.124 1.00 0.00 C ATOM 0 H ALA A 59 43.251 -22.214 -26.452 1.00 0.00 H new ATOM 0 HA ALA A 59 41.837 -20.660 -28.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.936 -19.457 -26.245 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.998 -21.219 -26.002 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.220 -20.173 -25.242 1.00 0.00 H new ATOM 923 N ARG A 60 44.194 -18.826 -26.807 1.00 0.00 N ATOM 924 CA ARG A 60 45.161 -17.775 -27.185 1.00 0.00 C ATOM 925 C ARG A 60 45.975 -18.220 -28.408 1.00 0.00 C ATOM 926 O ARG A 60 45.486 -18.169 -29.535 1.00 0.00 O ATOM 927 CB ARG A 60 46.047 -17.313 -26.015 1.00 0.00 C ATOM 928 CG ARG A 60 46.944 -16.128 -26.406 1.00 0.00 C ATOM 929 CD ARG A 60 46.753 -14.931 -25.470 1.00 0.00 C ATOM 930 NE ARG A 60 45.519 -14.210 -25.821 1.00 0.00 N ATOM 931 CZ ARG A 60 45.401 -12.926 -25.502 1.00 0.00 C ATOM 932 NH1 ARG A 60 46.063 -12.420 -24.476 1.00 0.00 N ATOM 933 NH2 ARG A 60 44.602 -12.152 -26.204 1.00 0.00 N ATOM 0 H ARG A 60 44.339 -19.251 -25.891 1.00 0.00 H new ATOM 0 HA ARG A 60 44.590 -16.889 -27.463 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.416 -17.028 -25.173 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.669 -18.144 -25.681 1.00 0.00 H new ATOM 0 HG2 ARG A 60 47.988 -16.441 -26.386 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.721 -15.827 -27.430 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.703 -15.272 -24.436 1.00 0.00 H new ATOM 0 HD3 ARG A 60 47.609 -14.261 -25.544 1.00 0.00 H new ATOM 0 HE ARG A 60 44.761 -14.692 -26.305 1.00 0.00 H new ATOM 0 HH11 ARG A 60 46.674 -13.017 -23.918 1.00 0.00 H new ATOM 0 HH12 ARG A 60 45.963 -11.432 -24.242 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.077 -12.539 -26.989 1.00 0.00 H new ATOM 0 HH22 ARG A 60 44.507 -11.165 -25.964 1.00 0.00 H new ATOM 1031 N LYS A 67 45.334 -12.415 -29.884 1.00 0.00 N ATOM 1032 CA LYS A 67 44.609 -13.615 -30.306 1.00 0.00 C ATOM 1033 C LYS A 67 43.565 -14.059 -29.289 1.00 0.00 C ATOM 1034 O LYS A 67 43.858 -14.375 -28.135 1.00 0.00 O ATOM 1035 CB LYS A 67 45.559 -14.740 -30.744 1.00 0.00 C ATOM 1036 CG LYS A 67 44.822 -16.027 -31.146 1.00 0.00 C ATOM 1037 CD LYS A 67 43.932 -15.850 -32.382 1.00 0.00 C ATOM 1038 CE LYS A 67 43.246 -17.170 -32.752 1.00 0.00 C ATOM 1039 NZ LYS A 67 42.274 -17.553 -31.710 1.00 0.00 N ATOM 0 HA LYS A 67 44.041 -13.344 -31.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.159 -14.394 -31.585 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.249 -14.962 -29.930 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.553 -16.811 -31.342 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.209 -16.364 -30.310 1.00 0.00 H new ATOM 0 HD2 LYS A 67 43.179 -15.086 -32.187 1.00 0.00 H new ATOM 0 HD3 LYS A 67 44.533 -15.499 -33.221 1.00 0.00 H new ATOM 0 HE2 LYS A 67 42.739 -17.068 -33.711 1.00 0.00 H new ATOM 0 HE3 LYS A 67 43.993 -17.955 -32.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 41.591 -18.231 -32.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 42.776 -17.992 -30.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 41.769 -16.706 -31.378 1.00 0.00 H new ATOM 1053 N ASN A 68 42.323 -14.057 -29.746 1.00 0.00 N ATOM 1054 CA ASN A 68 41.222 -14.462 -28.872 1.00 0.00 C ATOM 1055 C ASN A 68 40.302 -15.410 -29.630 1.00 0.00 C ATOM 1056 O ASN A 68 40.383 -15.544 -30.853 1.00 0.00 O ATOM 1057 CB ASN A 68 40.419 -13.287 -28.301 1.00 0.00 C ATOM 1058 CG ASN A 68 41.232 -11.998 -28.141 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.748 -11.689 -27.071 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.340 -11.222 -29.202 1.00 0.00 N ATOM 0 H ASN A 68 42.051 -13.788 -30.691 1.00 0.00 H new ATOM 0 HA ASN A 68 41.668 -14.962 -28.012 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.569 -13.090 -28.954 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.016 -13.573 -27.330 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.860 -10.347 -29.143 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.904 -11.497 -30.082 1.00 0.00 H new ATOM 1067 N ILE A 69 39.422 -16.088 -28.914 1.00 0.00 N ATOM 1068 CA ILE A 69 38.512 -16.994 -29.615 1.00 0.00 C ATOM 1069 C ILE A 69 37.169 -16.345 -29.915 1.00 0.00 C ATOM 1070 O ILE A 69 36.393 -15.969 -29.038 1.00 0.00 O ATOM 1071 CB ILE A 69 38.368 -18.384 -29.006 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.661 -18.353 -27.640 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.756 -19.009 -28.871 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.788 -19.682 -26.891 1.00 0.00 C ATOM 0 H ILE A 69 39.314 -16.040 -27.901 1.00 0.00 H new ATOM 0 HA ILE A 69 39.008 -17.181 -30.567 1.00 0.00 H new ATOM 0 HB ILE A 69 37.744 -18.985 -29.668 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.085 -17.554 -27.032 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.606 -18.119 -27.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.666 -20.004 -28.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.219 -19.083 -29.855 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.375 -18.386 -28.225 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.273 -19.610 -25.933 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.340 -20.479 -27.485 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.841 -19.905 -26.721 1.00 0.00 H new ATOM 1086 N GLY A 70 36.919 -16.231 -31.200 1.00 0.00 N ATOM 1087 CA GLY A 70 35.725 -15.506 -31.647 1.00 0.00 C ATOM 1088 C GLY A 70 34.588 -16.441 -32.056 1.00 0.00 C ATOM 1089 O GLY A 70 34.543 -17.597 -31.635 1.00 0.00 O ATOM 0 H GLY A 70 37.501 -16.615 -31.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.381 -14.851 -30.846 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.987 -14.868 -32.491 1.00 0.00 H new ATOM 1093 N PRO A 71 33.607 -15.898 -32.803 1.00 0.00 N ATOM 1094 CA PRO A 71 32.389 -16.651 -33.155 1.00 0.00 C ATOM 1095 C PRO A 71 32.503 -18.183 -33.129 1.00 0.00 C ATOM 1096 O PRO A 71 31.834 -18.854 -32.343 1.00 0.00 O ATOM 1097 CB PRO A 71 32.002 -16.129 -34.547 1.00 0.00 C ATOM 1098 CG PRO A 71 32.858 -14.892 -34.830 1.00 0.00 C ATOM 1099 CD PRO A 71 33.911 -14.803 -33.728 1.00 0.00 C ATOM 0 HA PRO A 71 31.629 -16.479 -32.393 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.172 -16.894 -35.304 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.942 -15.877 -34.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.332 -14.969 -35.808 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.241 -13.994 -34.845 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.916 -14.903 -34.137 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.868 -13.839 -33.222 1.00 0.00 H new ATOM 1107 N GLU A 72 33.342 -18.744 -33.990 1.00 0.00 N ATOM 1108 CA GLU A 72 33.319 -20.206 -34.149 1.00 0.00 C ATOM 1109 C GLU A 72 34.476 -21.023 -33.532 1.00 0.00 C ATOM 1110 O GLU A 72 34.369 -22.246 -33.435 1.00 0.00 O ATOM 1111 CB GLU A 72 32.965 -20.619 -35.583 1.00 0.00 C ATOM 1112 CG GLU A 72 34.173 -20.606 -36.526 1.00 0.00 C ATOM 1113 CD GLU A 72 33.742 -20.848 -37.966 1.00 0.00 C ATOM 1114 OE1 GLU A 72 32.868 -21.712 -38.200 1.00 0.00 O ATOM 1115 OE2 GLU A 72 34.281 -20.180 -38.874 1.00 0.00 O ATOM 0 H GLU A 72 34.019 -18.245 -34.567 1.00 0.00 H new ATOM 0 HA GLU A 72 32.501 -20.506 -33.494 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.532 -21.619 -35.571 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.201 -19.945 -35.971 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.686 -19.647 -36.452 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.885 -21.373 -36.222 1.00 0.00 H new ATOM 1122 N GLU A 73 35.586 -20.404 -33.121 1.00 0.00 N ATOM 1123 CA GLU A 73 36.663 -21.192 -32.501 1.00 0.00 C ATOM 1124 C GLU A 73 36.251 -21.857 -31.179 1.00 0.00 C ATOM 1125 O GLU A 73 36.605 -23.003 -30.896 1.00 0.00 O ATOM 1126 CB GLU A 73 37.949 -20.362 -32.339 1.00 0.00 C ATOM 1127 CG GLU A 73 39.027 -21.073 -31.496 1.00 0.00 C ATOM 1128 CD GLU A 73 40.422 -20.577 -31.851 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.565 -19.403 -32.255 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.387 -21.359 -31.717 1.00 0.00 O ATOM 0 H GLU A 73 35.763 -19.403 -33.199 1.00 0.00 H new ATOM 0 HA GLU A 73 36.872 -22.008 -33.193 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.356 -20.139 -33.325 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.702 -19.408 -31.872 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.836 -20.901 -30.437 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.969 -22.149 -31.659 1.00 0.00 H new ATOM 1137 N TRP A 74 35.476 -21.144 -30.374 1.00 0.00 N ATOM 1138 CA TRP A 74 35.077 -21.697 -29.078 1.00 0.00 C ATOM 1139 C TRP A 74 34.105 -22.877 -29.184 1.00 0.00 C ATOM 1140 O TRP A 74 34.259 -23.874 -28.481 1.00 0.00 O ATOM 1141 CB TRP A 74 34.625 -20.548 -28.150 1.00 0.00 C ATOM 1142 CG TRP A 74 34.038 -20.937 -26.788 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.769 -20.427 -26.523 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.786 -20.694 -25.652 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.741 -19.727 -25.308 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.001 -19.952 -24.763 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.657 -21.622 -25.155 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.143 -20.143 -23.422 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.815 -21.740 -23.810 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.965 -21.117 -22.960 1.00 0.00 C ATOM 0 H TRP A 74 35.118 -20.211 -30.581 1.00 0.00 H new ATOM 0 HA TRP A 74 35.944 -22.163 -28.610 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.482 -19.898 -27.975 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.880 -19.957 -28.683 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.915 -20.555 -27.171 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.975 -19.180 -24.915 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.216 -22.257 -25.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.601 -19.519 -22.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.625 -22.336 -23.416 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.942 -21.395 -21.917 1.00 0.00 H new ATOM 1161 N LEU A 75 33.140 -22.821 -30.100 1.00 0.00 N ATOM 1162 CA LEU A 75 32.294 -24.009 -30.305 1.00 0.00 C ATOM 1163 C LEU A 75 32.882 -25.030 -31.277 1.00 0.00 C ATOM 1164 O LEU A 75 32.455 -26.182 -31.299 1.00 0.00 O ATOM 1165 CB LEU A 75 30.851 -23.711 -30.711 1.00 0.00 C ATOM 1166 CG LEU A 75 29.852 -24.416 -29.779 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.515 -23.783 -29.976 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.656 -25.911 -30.075 1.00 0.00 C ATOM 0 H LEU A 75 32.926 -22.015 -30.687 1.00 0.00 H new ATOM 0 HA LEU A 75 32.274 -24.445 -29.306 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.679 -22.635 -30.685 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.685 -24.036 -31.738 1.00 0.00 H new ATOM 0 HG LEU A 75 30.256 -24.318 -28.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.785 -24.265 -29.326 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.575 -22.723 -29.731 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.207 -23.899 -31.015 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.936 -26.330 -29.372 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.284 -26.035 -31.092 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.609 -26.430 -29.971 1.00 0.00 H new ATOM 1180 N THR A 76 33.831 -24.644 -32.120 1.00 0.00 N ATOM 1181 CA THR A 76 34.457 -25.677 -32.946 1.00 0.00 C ATOM 1182 C THR A 76 35.353 -26.575 -32.106 1.00 0.00 C ATOM 1183 O THR A 76 35.205 -27.798 -32.114 1.00 0.00 O ATOM 1184 CB THR A 76 35.153 -25.196 -34.214 1.00 0.00 C ATOM 1185 OG1 THR A 76 34.292 -24.319 -34.926 1.00 0.00 O ATOM 1186 CG2 THR A 76 36.473 -24.479 -33.935 1.00 0.00 C ATOM 0 H THR A 76 34.170 -23.691 -32.250 1.00 0.00 H new ATOM 0 HA THR A 76 33.621 -26.261 -33.331 1.00 0.00 H new ATOM 0 HB THR A 76 35.382 -26.083 -34.804 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.511 -23.391 -34.700 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.920 -24.161 -34.877 1.00 0.00 H new ATOM 0 HG22 THR A 76 36.288 -23.607 -33.308 1.00 0.00 H new ATOM 0 HG23 THR A 76 37.154 -25.157 -33.421 1.00 0.00 H new ATOM 1194 N LEU A 77 36.268 -25.985 -31.337 1.00 0.00 N ATOM 1195 CA LEU A 77 37.001 -26.830 -30.396 1.00 0.00 C ATOM 1196 C LEU A 77 36.062 -27.404 -29.323 1.00 0.00 C ATOM 1197 O LEU A 77 36.149 -28.577 -29.006 1.00 0.00 O ATOM 1198 CB LEU A 77 38.306 -26.228 -29.842 1.00 0.00 C ATOM 1199 CG LEU A 77 38.028 -25.220 -28.731 1.00 0.00 C ATOM 1200 CD1 LEU A 77 38.246 -25.755 -27.334 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.942 -24.017 -28.892 1.00 0.00 C ATOM 0 H LEU A 77 36.509 -24.994 -31.341 1.00 0.00 H new ATOM 0 HA LEU A 77 37.375 -27.671 -30.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.943 -27.026 -29.460 1.00 0.00 H new ATOM 0 HB3 LEU A 77 38.854 -25.741 -30.648 1.00 0.00 H new ATOM 0 HG LEU A 77 36.973 -24.967 -28.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 38.026 -24.974 -26.607 1.00 0.00 H new ATOM 0 HD12 LEU A 77 37.587 -26.606 -27.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.283 -26.072 -27.223 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.741 -23.299 -28.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.982 -24.340 -28.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.760 -23.548 -29.859 1.00 0.00 H new ATOM 1213 N CYS A 78 35.081 -26.645 -28.827 1.00 0.00 N ATOM 1214 CA CYS A 78 34.173 -27.237 -27.835 1.00 0.00 C ATOM 1215 C CYS A 78 33.306 -28.370 -28.406 1.00 0.00 C ATOM 1216 O CYS A 78 33.040 -29.357 -27.723 1.00 0.00 O ATOM 1217 CB CYS A 78 33.316 -26.219 -27.085 1.00 0.00 C ATOM 1218 SG CYS A 78 34.377 -25.206 -26.001 1.00 0.00 S ATOM 0 H CYS A 78 34.898 -25.673 -29.076 1.00 0.00 H new ATOM 0 HA CYS A 78 34.845 -27.677 -27.099 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.788 -25.581 -27.794 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.559 -26.732 -26.493 1.00 0.00 H new ATOM 0 HG CYS A 78 34.824 -24.182 -26.665 1.00 0.00 H new ATOM 1224 N SER A 79 32.859 -28.257 -29.659 1.00 0.00 N ATOM 1225 CA SER A 79 32.113 -29.383 -30.248 1.00 0.00 C ATOM 1226 C SER A 79 32.990 -30.631 -30.432 1.00 0.00 C ATOM 1227 O SER A 79 32.620 -31.741 -30.038 1.00 0.00 O ATOM 1228 CB SER A 79 31.393 -29.014 -31.550 1.00 0.00 C ATOM 1229 OG SER A 79 32.303 -28.415 -32.462 1.00 0.00 O ATOM 0 H SER A 79 32.988 -27.445 -30.263 1.00 0.00 H new ATOM 0 HA SER A 79 31.338 -29.629 -29.522 1.00 0.00 H new ATOM 0 HB2 SER A 79 30.954 -29.906 -31.997 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.574 -28.327 -31.339 1.00 0.00 H new ATOM 0 HG SER A 79 32.257 -27.440 -32.377 1.00 0.00 H new ATOM 1235 N LYS A 80 34.176 -30.446 -31.009 1.00 0.00 N ATOM 1236 CA LYS A 80 35.103 -31.585 -31.134 1.00 0.00 C ATOM 1237 C LYS A 80 35.612 -32.085 -29.770 1.00 0.00 C ATOM 1238 O LYS A 80 35.714 -33.284 -29.519 1.00 0.00 O ATOM 1239 CB LYS A 80 36.283 -31.307 -32.082 1.00 0.00 C ATOM 1240 CG LYS A 80 35.836 -30.775 -33.453 1.00 0.00 C ATOM 1241 CD LYS A 80 34.911 -31.759 -34.180 1.00 0.00 C ATOM 1242 CE LYS A 80 34.527 -31.230 -35.563 1.00 0.00 C ATOM 1243 NZ LYS A 80 35.595 -31.521 -36.537 1.00 0.00 N ATOM 0 H LYS A 80 34.514 -29.560 -31.385 1.00 0.00 H new ATOM 0 HA LYS A 80 34.510 -32.381 -31.584 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.953 -30.583 -31.618 1.00 0.00 H new ATOM 0 HB3 LYS A 80 36.854 -32.225 -32.223 1.00 0.00 H new ATOM 0 HG2 LYS A 80 35.321 -29.823 -33.322 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.714 -30.580 -34.069 1.00 0.00 H new ATOM 0 HD2 LYS A 80 35.408 -32.724 -34.281 1.00 0.00 H new ATOM 0 HD3 LYS A 80 34.011 -31.924 -33.587 1.00 0.00 H new ATOM 0 HE2 LYS A 80 33.593 -31.689 -35.889 1.00 0.00 H new ATOM 0 HE3 LYS A 80 34.354 -30.155 -35.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 35.321 -31.156 -37.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 36.477 -31.063 -36.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 35.741 -32.549 -36.596 1.00 0.00 H new ATOM 1257 N TRP A 81 35.932 -31.149 -28.885 1.00 0.00 N ATOM 1258 CA TRP A 81 36.308 -31.510 -27.513 1.00 0.00 C ATOM 1259 C TRP A 81 35.241 -32.330 -26.791 1.00 0.00 C ATOM 1260 O TRP A 81 35.535 -33.261 -26.042 1.00 0.00 O ATOM 1261 CB TRP A 81 36.638 -30.260 -26.663 1.00 0.00 C ATOM 1262 CG TRP A 81 38.100 -29.860 -26.784 1.00 0.00 C ATOM 1263 CD1 TRP A 81 38.618 -29.280 -27.941 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.064 -30.685 -26.281 1.00 0.00 C ATOM 1265 NE1 TRP A 81 39.913 -29.777 -28.205 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.137 -30.695 -27.167 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.743 -31.808 -25.573 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 40.777 -31.876 -27.399 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.440 -32.940 -25.768 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.408 -32.990 -26.706 1.00 0.00 C ATOM 0 H TRP A 81 35.941 -30.148 -29.082 1.00 0.00 H new ATOM 0 HA TRP A 81 37.198 -32.130 -27.618 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.007 -29.429 -26.979 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.402 -30.459 -25.618 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.101 -28.553 -28.550 1.00 0.00 H new ATOM 0 HE1 TRP A 81 40.539 -29.527 -28.971 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.932 -31.786 -24.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 41.572 -31.929 -28.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.224 -33.814 -25.171 1.00 0.00 H new ATOM 0 HH2 TRP A 81 40.899 -33.930 -26.912 1.00 0.00 H new ATOM 1281 N VAL A 82 33.991 -31.955 -27.003 1.00 0.00 N ATOM 1282 CA VAL A 82 32.892 -32.696 -26.380 1.00 0.00 C ATOM 1283 C VAL A 82 32.735 -34.100 -26.982 1.00 0.00 C ATOM 1284 O VAL A 82 33.042 -35.103 -26.337 1.00 0.00 O ATOM 1285 CB VAL A 82 31.588 -31.870 -26.385 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.365 -32.718 -26.020 1.00 0.00 C ATOM 1287 CG2 VAL A 82 31.702 -30.711 -25.391 1.00 0.00 C ATOM 0 H VAL A 82 33.709 -31.165 -27.584 1.00 0.00 H new ATOM 0 HA VAL A 82 33.143 -32.858 -25.332 1.00 0.00 H new ATOM 0 HB VAL A 82 31.450 -31.493 -27.398 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.471 -32.094 -26.037 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.255 -33.528 -26.741 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.497 -33.136 -25.022 1.00 0.00 H new ATOM 0 HG21 VAL A 82 30.778 -30.132 -25.400 1.00 0.00 H new ATOM 0 HG22 VAL A 82 31.873 -31.106 -24.390 1.00 0.00 H new ATOM 0 HG23 VAL A 82 32.535 -30.069 -25.675 1.00 0.00 H new