USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 431 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 55 GLN : amide:sc= -0.673 X(o=-2,f=-2) USER MOD Set 1.2: A 59 GLN : amide:sc= -1.28 K(o=-2,f=-3.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.217 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.39) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc=-0.00862 (180deg=-0.209) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.93! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -3.67 K(o=-3.7,f=-1.2) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -140:sc= 0.18 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 0.946 6.610 1.364 1.00 0.00 N ATOM 189 CA PRO A 12 0.659 5.441 0.493 1.00 0.00 C ATOM 190 C PRO A 12 0.245 4.217 1.316 1.00 0.00 C ATOM 191 O PRO A 12 0.650 4.048 2.451 1.00 0.00 O ATOM 192 CB PRO A 12 1.984 5.182 -0.224 1.00 0.00 C ATOM 193 CG PRO A 12 3.027 5.776 0.662 1.00 0.00 C ATOM 194 CD PRO A 12 2.386 6.922 1.398 1.00 0.00 C ATOM 0 HA PRO A 12 -0.167 5.631 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.151 4.115 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.995 5.644 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.405 5.032 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.878 6.123 0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.754 6.994 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.599 7.875 0.914 1.00 0.00 H new ATOM 202 N SER A 13 -0.544 3.355 0.731 1.00 0.00 N ATOM 203 CA SER A 13 -0.985 2.116 1.438 1.00 0.00 C ATOM 204 C SER A 13 -0.333 0.908 0.766 1.00 0.00 C ATOM 205 O SER A 13 -0.007 0.956 -0.402 1.00 0.00 O ATOM 206 CB SER A 13 -2.504 2.075 1.270 1.00 0.00 C ATOM 207 OG SER A 13 -3.061 1.215 2.255 1.00 0.00 O ATOM 0 H SER A 13 -0.906 3.458 -0.217 1.00 0.00 H new ATOM 0 HA SER A 13 -0.705 2.103 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.920 3.078 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.762 1.720 0.272 1.00 0.00 H new ATOM 0 HG SER A 13 -4.035 1.187 2.152 1.00 0.00 H new ATOM 213 N ALA A 14 -0.152 -0.180 1.477 1.00 0.00 N ATOM 214 CA ALA A 14 0.483 -1.390 0.851 1.00 0.00 C ATOM 215 C ALA A 14 -0.303 -1.820 -0.389 1.00 0.00 C ATOM 216 O ALA A 14 0.260 -2.018 -1.450 1.00 0.00 O ATOM 217 CB ALA A 14 0.435 -2.475 1.921 1.00 0.00 C ATOM 0 H ALA A 14 -0.414 -0.285 2.457 1.00 0.00 H new ATOM 0 HA ALA A 14 1.504 -1.192 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.883 -3.389 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.989 -2.144 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.602 -2.668 2.197 1.00 0.00 H new ATOM 223 N PHE A 15 -1.602 -1.949 -0.267 1.00 0.00 N ATOM 224 CA PHE A 15 -2.427 -2.346 -1.447 1.00 0.00 C ATOM 225 C PHE A 15 -2.293 -1.288 -2.547 1.00 0.00 C ATOM 226 O PHE A 15 -2.452 -1.577 -3.719 1.00 0.00 O ATOM 227 CB PHE A 15 -3.871 -2.416 -0.936 1.00 0.00 C ATOM 228 CG PHE A 15 -4.786 -2.844 -2.061 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.523 -4.024 -2.770 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.894 -2.058 -2.399 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.367 -4.417 -3.815 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.739 -2.452 -3.444 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.476 -3.631 -4.152 1.00 0.00 C ATOM 0 H PHE A 15 -2.124 -1.797 0.596 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.111 -3.299 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.941 -3.122 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.179 -1.443 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.668 -4.631 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.097 -1.148 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.163 -5.326 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.594 -1.846 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.128 -3.934 -4.958 1.00 0.00 H new ATOM 243 N PHE A 16 -1.997 -0.065 -2.176 1.00 0.00 N ATOM 244 CA PHE A 16 -1.846 1.013 -3.197 1.00 0.00 C ATOM 245 C PHE A 16 -0.559 0.801 -3.988 1.00 0.00 C ATOM 246 O PHE A 16 -0.519 1.032 -5.181 1.00 0.00 O ATOM 247 CB PHE A 16 -1.793 2.323 -2.409 1.00 0.00 C ATOM 248 CG PHE A 16 -2.089 3.479 -3.334 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.389 3.680 -3.810 1.00 0.00 C ATOM 250 CD2 PHE A 16 -1.061 4.351 -3.713 1.00 0.00 C ATOM 251 CE1 PHE A 16 -3.663 4.753 -4.668 1.00 0.00 C ATOM 252 CE2 PHE A 16 -1.334 5.424 -4.570 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.635 5.625 -5.047 1.00 0.00 C ATOM 0 H PHE A 16 -1.854 0.230 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.666 1.018 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.518 2.300 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.809 2.448 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.182 3.008 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.058 4.196 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.666 4.908 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.541 6.096 -4.863 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.846 6.453 -5.708 1.00 0.00 H new ATOM 263 N LEU A 17 0.485 0.326 -3.346 1.00 0.00 N ATOM 264 CA LEU A 17 1.752 0.062 -4.092 1.00 0.00 C ATOM 265 C LEU A 17 1.460 -1.058 -5.092 1.00 0.00 C ATOM 266 O LEU A 17 1.352 -0.816 -6.277 1.00 0.00 O ATOM 267 CB LEU A 17 2.769 -0.363 -3.028 1.00 0.00 C ATOM 268 CG LEU A 17 3.400 0.889 -2.406 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.437 1.524 -1.409 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.682 0.513 -1.673 1.00 0.00 C ATOM 0 H LEU A 17 0.512 0.113 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 17 2.137 0.917 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.280 -0.959 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.540 -0.990 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 17 3.621 1.597 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.896 2.412 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.517 1.805 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.209 0.810 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.125 1.407 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.453 -0.204 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.386 0.067 -2.376 1.00 0.00 H new ATOM 282 N PHE A 18 1.331 -2.276 -4.605 1.00 0.00 N ATOM 283 CA PHE A 18 1.023 -3.463 -5.491 1.00 0.00 C ATOM 284 C PHE A 18 0.079 -3.058 -6.648 1.00 0.00 C ATOM 285 O PHE A 18 0.376 -3.289 -7.804 1.00 0.00 O ATOM 286 CB PHE A 18 0.345 -4.480 -4.557 1.00 0.00 C ATOM 287 CG PHE A 18 -0.176 -5.666 -5.345 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.700 -6.681 -5.751 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.536 -5.745 -5.665 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.213 -7.775 -6.477 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.022 -6.839 -6.390 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.149 -7.854 -6.797 1.00 0.00 C ATOM 0 H PHE A 18 1.427 -2.505 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 18 1.918 -3.870 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.056 -4.821 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.477 -4.001 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.750 -6.620 -5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.211 -4.962 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.887 -8.558 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.072 -6.900 -6.636 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.525 -8.698 -7.357 1.00 0.00 H new ATOM 302 N CYS A 19 -1.051 -2.460 -6.346 1.00 0.00 N ATOM 303 CA CYS A 19 -1.986 -2.051 -7.437 1.00 0.00 C ATOM 304 C CYS A 19 -1.351 -0.954 -8.300 1.00 0.00 C ATOM 305 O CYS A 19 -1.480 -0.958 -9.511 1.00 0.00 O ATOM 306 CB CYS A 19 -3.240 -1.530 -6.727 1.00 0.00 C ATOM 307 SG CYS A 19 -4.496 -1.075 -7.951 1.00 0.00 S ATOM 0 H CYS A 19 -1.361 -2.240 -5.400 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.221 -2.879 -8.106 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.633 -2.294 -6.056 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.988 -0.666 -6.113 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.557 -0.636 -7.341 1.00 0.00 H new ATOM 313 N SER A 20 -0.678 -0.012 -7.688 1.00 0.00 N ATOM 314 CA SER A 20 -0.044 1.094 -8.475 1.00 0.00 C ATOM 315 C SER A 20 0.922 0.530 -9.526 1.00 0.00 C ATOM 316 O SER A 20 1.111 1.120 -10.573 1.00 0.00 O ATOM 317 CB SER A 20 0.712 1.949 -7.456 1.00 0.00 C ATOM 318 OG SER A 20 1.499 2.911 -8.144 1.00 0.00 O ATOM 0 H SER A 20 -0.539 0.040 -6.679 1.00 0.00 H new ATOM 0 HA SER A 20 -0.790 1.677 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.009 2.447 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.348 1.318 -6.835 1.00 0.00 H new ATOM 0 HG SER A 20 1.984 3.462 -7.495 1.00 0.00 H new ATOM 324 N GLU A 21 1.539 -0.598 -9.255 1.00 0.00 N ATOM 325 CA GLU A 21 2.493 -1.179 -10.249 1.00 0.00 C ATOM 326 C GLU A 21 1.778 -2.157 -11.192 1.00 0.00 C ATOM 327 O GLU A 21 2.211 -2.361 -12.312 1.00 0.00 O ATOM 328 CB GLU A 21 3.575 -1.890 -9.426 1.00 0.00 C ATOM 329 CG GLU A 21 2.954 -2.997 -8.575 1.00 0.00 C ATOM 330 CD GLU A 21 4.043 -3.980 -8.142 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.812 -4.394 -8.994 1.00 0.00 O ATOM 332 OE2 GLU A 21 4.089 -4.301 -6.967 1.00 0.00 O ATOM 0 H GLU A 21 1.423 -1.135 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 21 2.925 -0.407 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.328 -2.313 -10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.084 -1.171 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.468 -2.567 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.184 -3.518 -9.143 1.00 0.00 H new ATOM 339 N HIS A 22 0.690 -2.757 -10.764 1.00 0.00 N ATOM 340 CA HIS A 22 -0.040 -3.712 -11.658 1.00 0.00 C ATOM 341 C HIS A 22 -1.275 -3.039 -12.274 1.00 0.00 C ATOM 342 O HIS A 22 -2.176 -3.705 -12.748 1.00 0.00 O ATOM 343 CB HIS A 22 -0.479 -4.858 -10.746 1.00 0.00 C ATOM 344 CG HIS A 22 0.717 -5.659 -10.317 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.472 -6.400 -11.212 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.292 -5.856 -9.088 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.450 -7.004 -10.512 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.387 -6.705 -9.213 1.00 0.00 N ATOM 0 H HIS A 22 0.279 -2.627 -9.840 1.00 0.00 H new ATOM 0 HA HIS A 22 0.588 -4.051 -12.482 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.994 -4.461 -9.871 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.188 -5.499 -11.269 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.947 -5.418 -8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.195 -7.652 -10.949 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.008 -7.029 -8.471 1.00 0.00 H new ATOM 356 N ARG A 23 -1.326 -1.730 -12.269 1.00 0.00 N ATOM 357 CA ARG A 23 -2.503 -1.019 -12.850 1.00 0.00 C ATOM 358 C ARG A 23 -2.388 -0.887 -14.384 1.00 0.00 C ATOM 359 O ARG A 23 -3.358 -1.129 -15.075 1.00 0.00 O ATOM 360 CB ARG A 23 -2.520 0.355 -12.173 1.00 0.00 C ATOM 361 CG ARG A 23 -3.743 1.145 -12.649 1.00 0.00 C ATOM 362 CD ARG A 23 -4.165 2.136 -11.563 1.00 0.00 C ATOM 363 NE ARG A 23 -3.184 3.253 -11.660 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.507 4.351 -12.287 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.517 5.067 -11.873 1.00 0.00 N ATOM 366 NH2 ARG A 23 -2.819 4.733 -13.328 1.00 0.00 N ATOM 0 H ARG A 23 -0.601 -1.123 -11.886 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.428 -1.568 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.549 0.238 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.607 0.900 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.509 1.677 -13.571 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.564 0.464 -12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.183 2.490 -11.725 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.141 1.674 -10.576 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.261 3.160 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.054 4.768 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.769 5.925 -12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.030 4.174 -13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.071 5.591 -13.819 1.00 0.00 H new ATOM 380 N PRO A 24 -1.224 -0.512 -14.891 1.00 0.00 N ATOM 381 CA PRO A 24 -1.074 -0.374 -16.363 1.00 0.00 C ATOM 382 C PRO A 24 -0.977 -1.750 -17.042 1.00 0.00 C ATOM 383 O PRO A 24 -0.949 -1.843 -18.254 1.00 0.00 O ATOM 384 CB PRO A 24 0.228 0.402 -16.527 1.00 0.00 C ATOM 385 CG PRO A 24 1.013 0.119 -15.288 1.00 0.00 C ATOM 386 CD PRO A 24 0.032 -0.188 -14.186 1.00 0.00 C ATOM 0 HA PRO A 24 -1.926 0.126 -16.824 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.768 0.080 -17.417 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.039 1.470 -16.638 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.687 -0.723 -15.446 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.631 0.977 -15.022 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.371 -1.024 -13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.096 0.664 -13.519 1.00 0.00 H new ATOM 394 N LYS A 25 -0.926 -2.819 -16.277 1.00 0.00 N ATOM 395 CA LYS A 25 -0.833 -4.178 -16.888 1.00 0.00 C ATOM 396 C LYS A 25 -2.236 -4.737 -17.145 1.00 0.00 C ATOM 397 O LYS A 25 -2.478 -5.393 -18.139 1.00 0.00 O ATOM 398 CB LYS A 25 -0.098 -5.028 -15.852 1.00 0.00 C ATOM 399 CG LYS A 25 0.354 -6.341 -16.496 1.00 0.00 C ATOM 400 CD LYS A 25 1.768 -6.174 -17.057 1.00 0.00 C ATOM 401 CE LYS A 25 2.776 -6.156 -15.906 1.00 0.00 C ATOM 402 NZ LYS A 25 4.086 -6.476 -16.539 1.00 0.00 N ATOM 0 H LYS A 25 -0.945 -2.804 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.314 -4.167 -17.847 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.764 -4.484 -15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.752 -5.233 -15.004 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.336 -7.145 -15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.334 -6.623 -17.293 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.997 -6.990 -17.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.837 -5.249 -17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.801 -5.182 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.517 -6.889 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.830 -6.483 -15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.034 -7.412 -16.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.309 -5.757 -17.257 1.00 0.00 H new ATOM 416 N ILE A 26 -3.158 -4.478 -16.253 1.00 0.00 N ATOM 417 CA ILE A 26 -4.551 -4.989 -16.437 1.00 0.00 C ATOM 418 C ILE A 26 -5.272 -4.192 -17.533 1.00 0.00 C ATOM 419 O ILE A 26 -6.231 -4.660 -18.113 1.00 0.00 O ATOM 420 CB ILE A 26 -5.235 -4.794 -15.076 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.482 -5.597 -14.001 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.691 -5.269 -15.149 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.494 -7.093 -14.343 1.00 0.00 C ATOM 0 H ILE A 26 -3.006 -3.934 -15.404 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.569 -6.033 -16.749 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.219 -3.736 -14.816 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.454 -5.243 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.945 -5.436 -13.027 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.169 -5.127 -14.180 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.224 -4.692 -15.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.716 -6.326 -15.415 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.957 -7.647 -13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.524 -7.447 -14.393 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.009 -7.250 -15.307 1.00 0.00 H new ATOM 435 N LYS A 27 -4.808 -3.003 -17.833 1.00 0.00 N ATOM 436 CA LYS A 27 -5.458 -2.187 -18.906 1.00 0.00 C ATOM 437 C LYS A 27 -4.996 -2.655 -20.295 1.00 0.00 C ATOM 438 O LYS A 27 -5.627 -2.359 -21.293 1.00 0.00 O ATOM 439 CB LYS A 27 -4.999 -0.751 -18.646 1.00 0.00 C ATOM 440 CG LYS A 27 -5.749 -0.186 -17.439 1.00 0.00 C ATOM 441 CD LYS A 27 -5.322 1.264 -17.203 1.00 0.00 C ATOM 442 CE LYS A 27 -6.060 2.180 -18.184 1.00 0.00 C ATOM 443 NZ LYS A 27 -7.404 2.388 -17.577 1.00 0.00 N ATOM 0 H LYS A 27 -4.007 -2.562 -17.381 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.544 -2.280 -18.888 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.925 -0.729 -18.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.185 -0.134 -19.525 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.824 -0.236 -17.610 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.539 -0.786 -16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.545 1.557 -16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.245 1.363 -17.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.534 3.126 -18.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.138 1.722 -19.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.132 2.335 -18.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.581 1.651 -16.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.439 3.324 -17.124 1.00 0.00 H new ATOM 457 N SER A 28 -3.908 -3.387 -20.369 1.00 0.00 N ATOM 458 CA SER A 28 -3.416 -3.875 -21.695 1.00 0.00 C ATOM 459 C SER A 28 -4.285 -5.040 -22.180 1.00 0.00 C ATOM 460 O SER A 28 -4.754 -5.052 -23.302 1.00 0.00 O ATOM 461 CB SER A 28 -1.981 -4.343 -21.446 1.00 0.00 C ATOM 462 OG SER A 28 -1.393 -4.734 -22.679 1.00 0.00 O ATOM 0 H SER A 28 -3.341 -3.666 -19.568 1.00 0.00 H new ATOM 0 HA SER A 28 -3.460 -3.101 -22.461 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.399 -3.542 -20.991 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.975 -5.179 -20.746 1.00 0.00 H new ATOM 0 HG SER A 28 -0.473 -5.033 -22.522 1.00 0.00 H new ATOM 468 N GLU A 29 -4.508 -6.013 -21.332 1.00 0.00 N ATOM 469 CA GLU A 29 -5.356 -7.181 -21.727 1.00 0.00 C ATOM 470 C GLU A 29 -6.848 -6.876 -21.496 1.00 0.00 C ATOM 471 O GLU A 29 -7.691 -7.738 -21.656 1.00 0.00 O ATOM 472 CB GLU A 29 -4.899 -8.323 -20.820 1.00 0.00 C ATOM 473 CG GLU A 29 -3.548 -8.852 -21.305 1.00 0.00 C ATOM 474 CD GLU A 29 -3.753 -9.686 -22.572 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.807 -9.100 -23.641 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.852 -10.896 -22.451 1.00 0.00 O ATOM 0 H GLU A 29 -4.139 -6.049 -20.382 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.248 -7.424 -22.784 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.816 -7.973 -19.791 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.638 -9.124 -20.826 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.872 -8.022 -21.509 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.083 -9.459 -20.528 1.00 0.00 H new ATOM 483 N HIS A 30 -7.180 -5.657 -21.142 1.00 0.00 N ATOM 484 CA HIS A 30 -8.611 -5.289 -20.922 1.00 0.00 C ATOM 485 C HIS A 30 -8.794 -3.789 -21.200 1.00 0.00 C ATOM 486 O HIS A 30 -8.763 -2.988 -20.289 1.00 0.00 O ATOM 487 CB HIS A 30 -8.927 -5.595 -19.452 1.00 0.00 C ATOM 488 CG HIS A 30 -8.698 -7.051 -19.157 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.715 -7.990 -19.224 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.577 -7.740 -18.775 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.190 -9.182 -18.887 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.887 -9.086 -18.603 1.00 0.00 N ATOM 0 H HIS A 30 -6.515 -4.898 -20.996 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.275 -5.846 -21.583 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.299 -4.983 -18.804 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.962 -5.332 -19.234 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.600 -7.304 -18.629 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.752 -10.103 -18.850 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.257 -9.837 -18.321 1.00 0.00 H new ATOM 500 N PRO A 31 -8.974 -3.450 -22.453 1.00 0.00 N ATOM 501 CA PRO A 31 -9.160 -2.025 -22.827 1.00 0.00 C ATOM 502 C PRO A 31 -10.492 -1.508 -22.275 1.00 0.00 C ATOM 503 O PRO A 31 -11.536 -2.085 -22.514 1.00 0.00 O ATOM 504 CB PRO A 31 -9.163 -2.052 -24.354 1.00 0.00 C ATOM 505 CG PRO A 31 -9.579 -3.443 -24.708 1.00 0.00 C ATOM 506 CD PRO A 31 -9.024 -4.334 -23.628 1.00 0.00 C ATOM 0 HA PRO A 31 -8.390 -1.365 -22.427 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.856 -1.316 -24.762 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.177 -1.819 -24.756 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.665 -3.524 -24.760 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.191 -3.729 -25.686 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.663 -5.200 -23.453 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.036 -4.714 -23.888 1.00 0.00 H new ATOM 514 N GLY A 32 -10.457 -0.432 -21.531 1.00 0.00 N ATOM 515 CA GLY A 32 -11.716 0.122 -20.949 1.00 0.00 C ATOM 516 C GLY A 32 -11.877 -0.367 -19.502 1.00 0.00 C ATOM 517 O GLY A 32 -12.613 0.209 -18.726 1.00 0.00 O ATOM 0 H GLY A 32 -9.610 0.087 -21.301 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.691 1.211 -20.974 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.572 -0.191 -21.546 1.00 0.00 H new ATOM 521 N LEU A 33 -11.197 -1.432 -19.136 1.00 0.00 N ATOM 522 CA LEU A 33 -11.308 -1.974 -17.740 1.00 0.00 C ATOM 523 C LEU A 33 -11.102 -0.866 -16.698 1.00 0.00 C ATOM 524 O LEU A 33 -9.993 -0.446 -16.433 1.00 0.00 O ATOM 525 CB LEU A 33 -10.189 -3.022 -17.641 1.00 0.00 C ATOM 526 CG LEU A 33 -10.516 -4.080 -16.578 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.627 -3.418 -15.206 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.836 -4.781 -16.919 1.00 0.00 C ATOM 0 H LEU A 33 -10.567 -1.951 -19.748 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.294 -2.396 -17.544 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.052 -3.504 -18.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.248 -2.531 -17.393 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.715 -4.819 -16.559 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.859 -4.173 -14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.681 -2.937 -14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.420 -2.670 -15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.058 -5.529 -16.158 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.641 -4.046 -16.951 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.750 -5.267 -17.891 1.00 0.00 H new ATOM 540 N SER A 34 -12.175 -0.394 -16.114 1.00 0.00 N ATOM 541 CA SER A 34 -12.069 0.689 -15.086 1.00 0.00 C ATOM 542 C SER A 34 -11.147 0.254 -13.942 1.00 0.00 C ATOM 543 O SER A 34 -10.491 -0.769 -14.017 1.00 0.00 O ATOM 544 CB SER A 34 -13.494 0.896 -14.572 1.00 0.00 C ATOM 545 OG SER A 34 -14.099 -0.370 -14.345 1.00 0.00 O ATOM 0 H SER A 34 -13.125 -0.713 -16.305 1.00 0.00 H new ATOM 0 HA SER A 34 -11.648 1.604 -15.502 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.480 1.476 -13.649 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.076 1.465 -15.297 1.00 0.00 H new ATOM 0 HG SER A 34 -15.012 -0.241 -14.014 1.00 0.00 H new ATOM 551 N ILE A 35 -11.090 1.026 -12.885 1.00 0.00 N ATOM 552 CA ILE A 35 -10.209 0.665 -11.732 1.00 0.00 C ATOM 553 C ILE A 35 -10.987 -0.153 -10.690 1.00 0.00 C ATOM 554 O ILE A 35 -10.568 -0.278 -9.554 1.00 0.00 O ATOM 555 CB ILE A 35 -9.761 2.007 -11.139 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.055 2.855 -12.214 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.801 1.762 -9.970 1.00 0.00 C ATOM 558 CD1 ILE A 35 -7.826 2.114 -12.756 1.00 0.00 C ATOM 0 H ILE A 35 -11.617 1.892 -12.771 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.363 0.051 -12.041 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.640 2.544 -10.782 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.746 3.070 -13.029 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.753 3.813 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.485 2.718 -9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.306 1.178 -9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.927 1.215 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.338 2.726 -13.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.128 1.921 -11.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.137 1.168 -13.198 1.00 0.00 H new ATOM 570 N GLY A 36 -12.113 -0.712 -11.064 1.00 0.00 N ATOM 571 CA GLY A 36 -12.911 -1.519 -10.094 1.00 0.00 C ATOM 572 C GLY A 36 -12.660 -3.008 -10.335 1.00 0.00 C ATOM 573 O GLY A 36 -12.306 -3.740 -9.429 1.00 0.00 O ATOM 0 H GLY A 36 -12.512 -0.643 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.636 -1.254 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.972 -1.296 -10.207 1.00 0.00 H new ATOM 577 N ASP A 37 -12.843 -3.460 -11.550 1.00 0.00 N ATOM 578 CA ASP A 37 -12.619 -4.908 -11.857 1.00 0.00 C ATOM 579 C ASP A 37 -11.151 -5.281 -11.628 1.00 0.00 C ATOM 580 O ASP A 37 -10.853 -6.299 -11.032 1.00 0.00 O ATOM 581 CB ASP A 37 -12.993 -5.071 -13.330 1.00 0.00 C ATOM 582 CG ASP A 37 -14.515 -5.047 -13.478 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.073 -3.961 -13.475 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.098 -6.112 -13.590 1.00 0.00 O ATOM 0 H ASP A 37 -13.138 -2.890 -12.343 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.213 -5.558 -11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.547 -4.270 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.595 -6.010 -13.715 1.00 0.00 H new ATOM 589 N THR A 38 -10.232 -4.466 -12.092 1.00 0.00 N ATOM 590 CA THR A 38 -8.785 -4.784 -11.888 1.00 0.00 C ATOM 591 C THR A 38 -8.431 -4.636 -10.405 1.00 0.00 C ATOM 592 O THR A 38 -7.558 -5.313 -9.898 1.00 0.00 O ATOM 593 CB THR A 38 -8.008 -3.783 -12.756 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.617 -4.023 -12.613 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.318 -2.347 -12.331 1.00 0.00 C ATOM 0 H THR A 38 -10.421 -3.601 -12.599 1.00 0.00 H new ATOM 0 HA THR A 38 -8.539 -5.807 -12.172 1.00 0.00 H new ATOM 0 HB THR A 38 -8.308 -3.913 -13.796 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.118 -3.226 -12.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.758 -1.653 -12.958 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.385 -2.157 -12.443 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.032 -2.206 -11.289 1.00 0.00 H new ATOM 603 N ALA A 39 -9.125 -3.774 -9.706 1.00 0.00 N ATOM 604 CA ALA A 39 -8.860 -3.595 -8.246 1.00 0.00 C ATOM 605 C ALA A 39 -9.392 -4.811 -7.482 1.00 0.00 C ATOM 606 O ALA A 39 -8.893 -5.166 -6.431 1.00 0.00 O ATOM 607 CB ALA A 39 -9.624 -2.330 -7.848 1.00 0.00 C ATOM 0 H ALA A 39 -9.866 -3.185 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.798 -3.504 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.476 -2.135 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.254 -1.484 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.687 -2.469 -8.047 1.00 0.00 H new ATOM 613 N LYS A 40 -10.390 -5.463 -8.027 1.00 0.00 N ATOM 614 CA LYS A 40 -10.951 -6.675 -7.365 1.00 0.00 C ATOM 615 C LYS A 40 -10.010 -7.848 -7.621 1.00 0.00 C ATOM 616 O LYS A 40 -9.738 -8.648 -6.745 1.00 0.00 O ATOM 617 CB LYS A 40 -12.307 -6.910 -8.032 1.00 0.00 C ATOM 618 CG LYS A 40 -13.359 -6.010 -7.381 1.00 0.00 C ATOM 619 CD LYS A 40 -14.649 -6.055 -8.201 1.00 0.00 C ATOM 620 CE LYS A 40 -15.382 -7.371 -7.929 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.238 -7.588 -9.129 1.00 0.00 N ATOM 0 H LYS A 40 -10.840 -5.204 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.061 -6.562 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.241 -6.697 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.596 -7.956 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.553 -6.339 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.990 -4.986 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.287 -5.211 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.420 -5.967 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.680 -8.193 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.982 -7.309 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.773 -8.473 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.901 -6.793 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.638 -7.650 -9.976 1.00 0.00 H new ATOM 635 N LYS A 41 -9.501 -7.940 -8.824 1.00 0.00 N ATOM 636 CA LYS A 41 -8.556 -9.049 -9.159 1.00 0.00 C ATOM 637 C LYS A 41 -7.242 -8.845 -8.401 1.00 0.00 C ATOM 638 O LYS A 41 -6.770 -9.724 -7.708 1.00 0.00 O ATOM 639 CB LYS A 41 -8.330 -8.945 -10.669 1.00 0.00 C ATOM 640 CG LYS A 41 -9.395 -9.765 -11.401 1.00 0.00 C ATOM 641 CD LYS A 41 -9.175 -9.655 -12.912 1.00 0.00 C ATOM 642 CE LYS A 41 -9.776 -10.880 -13.604 1.00 0.00 C ATOM 643 NZ LYS A 41 -10.057 -10.435 -14.997 1.00 0.00 N ATOM 0 H LYS A 41 -9.699 -7.295 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.945 -10.029 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.378 -7.903 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.335 -9.310 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.343 -10.808 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.390 -9.404 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.638 -8.745 -13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.110 -9.586 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.083 -11.721 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.687 -11.209 -13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.472 -11.222 -15.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.725 -9.638 -14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.171 -10.134 -15.451 1.00 0.00 H new ATOM 657 N LEU A 42 -6.650 -7.683 -8.532 1.00 0.00 N ATOM 658 CA LEU A 42 -5.358 -7.390 -7.825 1.00 0.00 C ATOM 659 C LEU A 42 -5.462 -7.719 -6.331 1.00 0.00 C ATOM 660 O LEU A 42 -4.614 -8.388 -5.778 1.00 0.00 O ATOM 661 CB LEU A 42 -5.144 -5.887 -8.010 1.00 0.00 C ATOM 662 CG LEU A 42 -4.177 -5.635 -9.167 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.782 -6.138 -10.478 1.00 0.00 C ATOM 664 CD2 LEU A 42 -3.924 -4.136 -9.278 1.00 0.00 C ATOM 0 H LEU A 42 -7.007 -6.917 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.537 -7.987 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.097 -5.397 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.747 -5.452 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.243 -6.165 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.085 -5.953 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.977 -7.208 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.717 -5.612 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.235 -3.943 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.866 -3.621 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.490 -3.770 -8.348 1.00 0.00 H new ATOM 676 N GLY A 43 -6.500 -7.250 -5.679 1.00 0.00 N ATOM 677 CA GLY A 43 -6.668 -7.530 -4.217 1.00 0.00 C ATOM 678 C GLY A 43 -6.638 -9.042 -3.974 1.00 0.00 C ATOM 679 O GLY A 43 -6.234 -9.500 -2.920 1.00 0.00 O ATOM 0 H GLY A 43 -7.239 -6.685 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.873 -7.045 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.611 -7.114 -3.863 1.00 0.00 H new ATOM 683 N GLU A 44 -7.040 -9.817 -4.951 1.00 0.00 N ATOM 684 CA GLU A 44 -7.011 -11.299 -4.791 1.00 0.00 C ATOM 685 C GLU A 44 -5.561 -11.773 -4.875 1.00 0.00 C ATOM 686 O GLU A 44 -5.149 -12.678 -4.174 1.00 0.00 O ATOM 687 CB GLU A 44 -7.831 -11.851 -5.958 1.00 0.00 C ATOM 688 CG GLU A 44 -8.272 -13.282 -5.642 1.00 0.00 C ATOM 689 CD GLU A 44 -7.112 -14.244 -5.903 1.00 0.00 C ATOM 690 OE1 GLU A 44 -6.761 -14.419 -7.057 1.00 0.00 O ATOM 691 OE2 GLU A 44 -6.594 -14.790 -4.942 1.00 0.00 O ATOM 0 H GLU A 44 -7.386 -9.485 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.417 -11.632 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.703 -11.221 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.238 -11.836 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.591 -13.354 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.129 -13.554 -6.258 1.00 0.00 H new ATOM 698 N MET A 45 -4.783 -11.151 -5.725 1.00 0.00 N ATOM 699 CA MET A 45 -3.349 -11.536 -5.861 1.00 0.00 C ATOM 700 C MET A 45 -2.539 -10.882 -4.737 1.00 0.00 C ATOM 701 O MET A 45 -1.623 -11.471 -4.195 1.00 0.00 O ATOM 702 CB MET A 45 -2.922 -10.999 -7.230 1.00 0.00 C ATOM 703 CG MET A 45 -3.755 -11.669 -8.325 1.00 0.00 C ATOM 704 SD MET A 45 -3.421 -10.867 -9.912 1.00 0.00 S ATOM 705 CE MET A 45 -4.858 -11.517 -10.801 1.00 0.00 C ATOM 0 H MET A 45 -5.083 -10.389 -6.333 1.00 0.00 H new ATOM 0 HA MET A 45 -3.189 -12.612 -5.789 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.057 -9.918 -7.266 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.862 -11.194 -7.394 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.513 -12.730 -8.383 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.816 -11.597 -8.085 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.853 -11.142 -11.824 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.816 -12.606 -10.813 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.771 -11.195 -10.301 1.00 0.00 H new ATOM 715 N TRP A 46 -2.888 -9.670 -4.366 1.00 0.00 N ATOM 716 CA TRP A 46 -2.161 -8.969 -3.255 1.00 0.00 C ATOM 717 C TRP A 46 -2.213 -9.837 -1.991 1.00 0.00 C ATOM 718 O TRP A 46 -1.199 -10.131 -1.386 1.00 0.00 O ATOM 719 CB TRP A 46 -2.916 -7.643 -3.058 1.00 0.00 C ATOM 720 CG TRP A 46 -2.368 -6.910 -1.872 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.094 -6.474 -0.816 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.992 -6.528 -1.610 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.244 -5.846 0.078 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.937 -5.855 -0.369 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.201 -6.701 -2.326 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.267 -5.368 0.142 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.413 -6.213 -1.815 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.445 -5.548 -0.585 1.00 0.00 C ATOM 0 H TRP A 46 -3.648 -9.134 -4.786 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.109 -8.791 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.822 -7.026 -3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.979 -7.838 -2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.160 -6.596 -0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.546 -5.428 0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.187 -7.213 -3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.287 -4.856 1.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.326 -6.352 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.381 -5.174 -0.198 1.00 0.00 H new ATOM 739 N SER A 47 -3.391 -10.265 -1.606 1.00 0.00 N ATOM 740 CA SER A 47 -3.521 -11.136 -0.398 1.00 0.00 C ATOM 741 C SER A 47 -2.873 -12.507 -0.651 1.00 0.00 C ATOM 742 O SER A 47 -2.704 -13.294 0.260 1.00 0.00 O ATOM 743 CB SER A 47 -5.027 -11.292 -0.175 1.00 0.00 C ATOM 744 OG SER A 47 -5.268 -11.622 1.187 1.00 0.00 O ATOM 0 H SER A 47 -4.269 -10.048 -2.078 1.00 0.00 H new ATOM 0 HA SER A 47 -3.022 -10.705 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.542 -10.367 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.424 -12.071 -0.826 1.00 0.00 H new ATOM 0 HG SER A 47 -6.232 -11.721 1.334 1.00 0.00 H new ATOM 750 N GLU A 48 -2.494 -12.791 -1.877 1.00 0.00 N ATOM 751 CA GLU A 48 -1.843 -14.090 -2.191 1.00 0.00 C ATOM 752 C GLU A 48 -0.342 -13.893 -2.410 1.00 0.00 C ATOM 753 O GLU A 48 0.406 -14.853 -2.467 1.00 0.00 O ATOM 754 CB GLU A 48 -2.516 -14.552 -3.482 1.00 0.00 C ATOM 755 CG GLU A 48 -3.898 -15.126 -3.163 1.00 0.00 C ATOM 756 CD GLU A 48 -3.758 -16.587 -2.735 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.281 -17.375 -3.536 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.129 -16.895 -1.614 1.00 0.00 O ATOM 0 H GLU A 48 -2.612 -12.167 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.950 -14.816 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.609 -13.716 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.902 -15.307 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.369 -14.547 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.544 -15.053 -4.038 1.00 0.00 H new ATOM 765 N GLN A 49 0.112 -12.666 -2.525 1.00 0.00 N ATOM 766 CA GLN A 49 1.566 -12.436 -2.730 1.00 0.00 C ATOM 767 C GLN A 49 2.327 -12.857 -1.478 1.00 0.00 C ATOM 768 O GLN A 49 1.847 -12.716 -0.370 1.00 0.00 O ATOM 769 CB GLN A 49 1.726 -10.924 -2.971 1.00 0.00 C ATOM 770 CG GLN A 49 2.398 -10.687 -4.324 1.00 0.00 C ATOM 771 CD GLN A 49 1.479 -11.170 -5.445 1.00 0.00 C ATOM 772 OE1 GLN A 49 1.805 -12.101 -6.155 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.337 -10.573 -5.635 1.00 0.00 N ATOM 0 H GLN A 49 -0.462 -11.824 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 49 1.958 -13.012 -3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.751 -10.437 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.323 -10.480 -2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.618 -9.627 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.350 -11.217 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.064 -9.792 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.285 -10.887 -6.380 1.00 0.00 H new ATOM 782 N SER A 50 3.518 -13.339 -1.653 1.00 0.00 N ATOM 783 CA SER A 50 4.351 -13.738 -0.489 1.00 0.00 C ATOM 784 C SER A 50 5.241 -12.547 -0.114 1.00 0.00 C ATOM 785 O SER A 50 4.839 -11.407 -0.267 1.00 0.00 O ATOM 786 CB SER A 50 5.179 -14.927 -0.986 1.00 0.00 C ATOM 787 OG SER A 50 6.136 -14.469 -1.932 1.00 0.00 O ATOM 0 H SER A 50 3.958 -13.476 -2.563 1.00 0.00 H new ATOM 0 HA SER A 50 3.777 -14.014 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.681 -15.411 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.528 -15.673 -1.442 1.00 0.00 H new ATOM 0 HG SER A 50 6.669 -15.227 -2.251 1.00 0.00 H new ATOM 793 N ALA A 51 6.440 -12.783 0.356 1.00 0.00 N ATOM 794 CA ALA A 51 7.333 -11.641 0.714 1.00 0.00 C ATOM 795 C ALA A 51 7.921 -11.006 -0.558 1.00 0.00 C ATOM 796 O ALA A 51 8.405 -9.891 -0.532 1.00 0.00 O ATOM 797 CB ALA A 51 8.441 -12.250 1.575 1.00 0.00 C ATOM 0 H ALA A 51 6.836 -13.711 0.506 1.00 0.00 H new ATOM 0 HA ALA A 51 6.798 -10.852 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.138 -11.468 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.003 -12.708 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.973 -13.008 1.001 1.00 0.00 H new ATOM 803 N LYS A 52 7.885 -11.706 -1.670 1.00 0.00 N ATOM 804 CA LYS A 52 8.445 -11.136 -2.937 1.00 0.00 C ATOM 805 C LYS A 52 7.713 -9.843 -3.312 1.00 0.00 C ATOM 806 O LYS A 52 8.333 -8.830 -3.581 1.00 0.00 O ATOM 807 CB LYS A 52 8.211 -12.211 -4.003 1.00 0.00 C ATOM 808 CG LYS A 52 9.250 -12.059 -5.115 1.00 0.00 C ATOM 809 CD LYS A 52 10.618 -12.519 -4.605 1.00 0.00 C ATOM 810 CE LYS A 52 10.840 -13.985 -4.986 1.00 0.00 C ATOM 811 NZ LYS A 52 11.567 -13.938 -6.285 1.00 0.00 N ATOM 0 H LYS A 52 7.493 -12.644 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 52 9.501 -10.885 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.282 -13.203 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.206 -12.118 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.957 -12.649 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.302 -11.019 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.405 -11.898 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.673 -12.401 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.422 -14.507 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.893 -14.516 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.756 -14.907 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.986 -13.441 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.467 -13.433 -6.161 1.00 0.00 H new ATOM 825 N ASP A 53 6.403 -9.864 -3.322 1.00 0.00 N ATOM 826 CA ASP A 53 5.633 -8.631 -3.671 1.00 0.00 C ATOM 827 C ASP A 53 4.619 -8.313 -2.568 1.00 0.00 C ATOM 828 O ASP A 53 3.421 -8.330 -2.774 1.00 0.00 O ATOM 829 CB ASP A 53 4.924 -8.945 -4.982 1.00 0.00 C ATOM 830 CG ASP A 53 5.810 -8.533 -6.157 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.864 -9.127 -6.315 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.422 -7.631 -6.880 1.00 0.00 O ATOM 0 H ASP A 53 5.834 -10.682 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 53 6.281 -7.760 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.699 -10.010 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.972 -8.415 -5.028 1.00 0.00 H new ATOM 837 N LYS A 54 5.116 -8.012 -1.399 1.00 0.00 N ATOM 838 CA LYS A 54 4.232 -7.672 -0.250 1.00 0.00 C ATOM 839 C LYS A 54 5.056 -7.183 0.947 1.00 0.00 C ATOM 840 O LYS A 54 4.623 -6.332 1.699 1.00 0.00 O ATOM 841 CB LYS A 54 3.523 -8.977 0.092 1.00 0.00 C ATOM 842 CG LYS A 54 2.082 -8.679 0.510 1.00 0.00 C ATOM 843 CD LYS A 54 1.499 -9.871 1.268 1.00 0.00 C ATOM 844 CE LYS A 54 2.262 -10.072 2.580 1.00 0.00 C ATOM 845 NZ LYS A 54 1.332 -10.841 3.453 1.00 0.00 N ATOM 0 H LYS A 54 6.114 -7.987 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 54 3.535 -6.870 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.533 -9.645 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.049 -9.489 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.054 -7.789 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.476 -8.466 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.442 -9.702 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.565 -10.771 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.191 -10.617 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.528 -9.117 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.785 -11.018 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.459 -10.294 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.102 -11.749 3.000 1.00 0.00 H new ATOM 859 N GLN A 55 6.234 -7.722 1.128 1.00 0.00 N ATOM 860 CA GLN A 55 7.089 -7.297 2.282 1.00 0.00 C ATOM 861 C GLN A 55 7.668 -5.888 2.053 1.00 0.00 C ATOM 862 O GLN A 55 7.524 -5.030 2.900 1.00 0.00 O ATOM 863 CB GLN A 55 8.212 -8.332 2.358 1.00 0.00 C ATOM 864 CG GLN A 55 7.828 -9.432 3.351 1.00 0.00 C ATOM 865 CD GLN A 55 7.761 -8.845 4.762 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.776 -8.642 5.398 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.598 -8.563 5.284 1.00 0.00 N ATOM 0 H GLN A 55 6.643 -8.438 0.528 1.00 0.00 H new ATOM 0 HA GLN A 55 6.515 -7.248 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.391 -8.763 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.141 -7.854 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.864 -9.862 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.559 -10.240 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.745 -8.733 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.542 -8.173 6.225 1.00 0.00 H new ATOM 876 N PRO A 56 8.318 -5.684 0.925 1.00 0.00 N ATOM 877 CA PRO A 56 8.913 -4.353 0.641 1.00 0.00 C ATOM 878 C PRO A 56 7.833 -3.315 0.288 1.00 0.00 C ATOM 879 O PRO A 56 8.129 -2.144 0.138 1.00 0.00 O ATOM 880 CB PRO A 56 9.826 -4.611 -0.554 1.00 0.00 C ATOM 881 CG PRO A 56 9.258 -5.817 -1.229 1.00 0.00 C ATOM 882 CD PRO A 56 8.565 -6.638 -0.171 1.00 0.00 C ATOM 0 HA PRO A 56 9.441 -3.943 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.844 -3.754 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.853 -4.786 -0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.556 -5.525 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.047 -6.396 -1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.634 -7.065 -0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.187 -7.470 0.158 1.00 0.00 H new ATOM 890 N TYR A 57 6.592 -3.725 0.150 1.00 0.00 N ATOM 891 CA TYR A 57 5.515 -2.747 -0.195 1.00 0.00 C ATOM 892 C TYR A 57 4.854 -2.204 1.076 1.00 0.00 C ATOM 893 O TYR A 57 4.469 -1.050 1.133 1.00 0.00 O ATOM 894 CB TYR A 57 4.505 -3.533 -1.032 1.00 0.00 C ATOM 895 CG TYR A 57 5.038 -3.712 -2.435 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.456 -2.600 -3.178 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.112 -4.991 -2.994 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.948 -2.770 -4.477 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.605 -5.162 -4.294 1.00 0.00 C ATOM 900 CZ TYR A 57 6.023 -4.051 -5.035 1.00 0.00 C ATOM 901 OH TYR A 57 6.507 -4.219 -6.316 1.00 0.00 O ATOM 0 H TYR A 57 6.282 -4.690 0.261 1.00 0.00 H new ATOM 0 HA TYR A 57 5.908 -1.887 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.319 -4.505 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.551 -3.006 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.398 -1.611 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.789 -5.849 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.270 -1.912 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.662 -6.151 -4.724 1.00 0.00 H new ATOM 0 HH TYR A 57 5.972 -4.895 -6.782 1.00 0.00 H new ATOM 911 N GLU A 58 4.724 -3.019 2.095 1.00 0.00 N ATOM 912 CA GLU A 58 4.092 -2.536 3.359 1.00 0.00 C ATOM 913 C GLU A 58 5.127 -1.790 4.210 1.00 0.00 C ATOM 914 O GLU A 58 4.788 -0.917 4.986 1.00 0.00 O ATOM 915 CB GLU A 58 3.578 -3.794 4.075 1.00 0.00 C ATOM 916 CG GLU A 58 4.742 -4.739 4.405 1.00 0.00 C ATOM 917 CD GLU A 58 5.019 -4.714 5.910 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.257 -3.638 6.431 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.987 -5.774 6.515 1.00 0.00 O ATOM 0 H GLU A 58 5.027 -3.993 2.105 1.00 0.00 H new ATOM 0 HA GLU A 58 3.277 -1.836 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.060 -3.512 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.853 -4.308 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.500 -5.753 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.634 -4.437 3.857 1.00 0.00 H new ATOM 926 N GLN A 59 6.390 -2.112 4.053 1.00 0.00 N ATOM 927 CA GLN A 59 7.451 -1.404 4.832 1.00 0.00 C ATOM 928 C GLN A 59 7.817 -0.073 4.154 1.00 0.00 C ATOM 929 O GLN A 59 8.618 0.687 4.664 1.00 0.00 O ATOM 930 CB GLN A 59 8.651 -2.347 4.822 1.00 0.00 C ATOM 931 CG GLN A 59 8.278 -3.665 5.503 1.00 0.00 C ATOM 932 CD GLN A 59 9.279 -4.750 5.104 1.00 0.00 C ATOM 933 OE1 GLN A 59 8.902 -5.876 4.845 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.549 -4.458 5.040 1.00 0.00 N ATOM 0 H GLN A 59 6.730 -2.835 3.419 1.00 0.00 H new ATOM 0 HA GLN A 59 7.123 -1.168 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.970 -2.534 3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.493 -1.885 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.276 -3.539 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.270 -3.962 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.867 -3.513 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.224 -5.174 4.773 1.00 0.00 H new ATOM 943 N LYS A 60 7.222 0.220 3.020 1.00 0.00 N ATOM 944 CA LYS A 60 7.515 1.502 2.318 1.00 0.00 C ATOM 945 C LYS A 60 6.340 2.465 2.511 1.00 0.00 C ATOM 946 O LYS A 60 6.499 3.670 2.451 1.00 0.00 O ATOM 947 CB LYS A 60 7.667 1.124 0.845 1.00 0.00 C ATOM 948 CG LYS A 60 8.120 2.348 0.047 1.00 0.00 C ATOM 949 CD LYS A 60 8.042 2.040 -1.450 1.00 0.00 C ATOM 950 CE LYS A 60 8.255 3.328 -2.248 1.00 0.00 C ATOM 951 NZ LYS A 60 8.596 2.873 -3.625 1.00 0.00 N ATOM 0 H LYS A 60 6.543 -0.380 2.552 1.00 0.00 H new ATOM 0 HA LYS A 60 8.409 1.997 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.393 0.318 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.720 0.753 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.490 3.205 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.140 2.617 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.798 1.303 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.072 1.605 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.357 3.946 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.057 3.930 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.757 3.700 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.458 2.292 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.811 2.308 -4.008 1.00 0.00 H new ATOM 965 N ALA A 61 5.163 1.937 2.749 1.00 0.00 N ATOM 966 CA ALA A 61 3.975 2.809 2.957 1.00 0.00 C ATOM 967 C ALA A 61 3.677 2.928 4.451 1.00 0.00 C ATOM 968 O ALA A 61 3.256 3.964 4.929 1.00 0.00 O ATOM 969 CB ALA A 61 2.829 2.100 2.232 1.00 0.00 C ATOM 0 H ALA A 61 4.978 0.936 2.807 1.00 0.00 H new ATOM 0 HA ALA A 61 4.127 3.820 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.914 2.683 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.074 2.000 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.681 1.111 2.665 1.00 0.00 H new ATOM 975 N ALA A 62 3.908 1.874 5.188 1.00 0.00 N ATOM 976 CA ALA A 62 3.657 1.917 6.660 1.00 0.00 C ATOM 977 C ALA A 62 4.633 2.895 7.313 1.00 0.00 C ATOM 978 O ALA A 62 4.261 3.672 8.172 1.00 0.00 O ATOM 979 CB ALA A 62 3.903 0.493 7.160 1.00 0.00 C ATOM 0 H ALA A 62 4.260 0.984 4.835 1.00 0.00 H new ATOM 0 HA ALA A 62 2.648 2.251 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.736 0.451 8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.218 -0.192 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.930 0.203 6.941 1.00 0.00 H new ATOM 985 N LYS A 63 5.875 2.875 6.896 1.00 0.00 N ATOM 986 CA LYS A 63 6.876 3.821 7.474 1.00 0.00 C ATOM 987 C LYS A 63 6.742 5.209 6.824 1.00 0.00 C ATOM 988 O LYS A 63 7.416 6.146 7.210 1.00 0.00 O ATOM 989 CB LYS A 63 8.239 3.206 7.147 1.00 0.00 C ATOM 990 CG LYS A 63 9.329 3.934 7.935 1.00 0.00 C ATOM 991 CD LYS A 63 10.591 3.068 7.978 1.00 0.00 C ATOM 992 CE LYS A 63 10.369 1.890 8.930 1.00 0.00 C ATOM 993 NZ LYS A 63 11.726 1.317 9.152 1.00 0.00 N ATOM 0 H LYS A 63 6.238 2.245 6.181 1.00 0.00 H new ATOM 0 HA LYS A 63 6.736 3.960 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.241 2.145 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.437 3.281 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.550 4.894 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.983 4.143 8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.828 2.702 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.442 3.663 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.920 2.219 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.695 1.152 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.658 0.503 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.125 1.007 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.344 2.040 9.573 1.00 0.00 H new ATOM 1007 N LEU A 64 5.867 5.353 5.852 1.00 0.00 N ATOM 1008 CA LEU A 64 5.678 6.678 5.192 1.00 0.00 C ATOM 1009 C LEU A 64 4.370 7.317 5.675 1.00 0.00 C ATOM 1010 O LEU A 64 4.201 8.520 5.620 1.00 0.00 O ATOM 1011 CB LEU A 64 5.603 6.369 3.692 1.00 0.00 C ATOM 1012 CG LEU A 64 6.962 6.626 3.020 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.358 8.096 3.186 1.00 0.00 C ATOM 1014 CD2 LEU A 64 8.033 5.733 3.657 1.00 0.00 C ATOM 0 H LEU A 64 5.276 4.604 5.490 1.00 0.00 H new ATOM 0 HA LEU A 64 6.483 7.377 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.308 5.330 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.837 6.988 3.225 1.00 0.00 H new ATOM 0 HG LEU A 64 6.881 6.394 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.322 8.269 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.603 8.731 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.432 8.335 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.994 5.919 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.109 5.958 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.759 4.686 3.526 1.00 0.00 H new ATOM 1026 N LYS A 65 3.448 6.515 6.157 1.00 0.00 N ATOM 1027 CA LYS A 65 2.153 7.067 6.654 1.00 0.00 C ATOM 1028 C LYS A 65 2.357 7.695 8.037 1.00 0.00 C ATOM 1029 O LYS A 65 1.888 8.785 8.306 1.00 0.00 O ATOM 1030 CB LYS A 65 1.212 5.860 6.735 1.00 0.00 C ATOM 1031 CG LYS A 65 -0.165 6.307 7.235 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.942 5.093 7.748 1.00 0.00 C ATOM 1033 CE LYS A 65 -2.443 5.363 7.632 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.803 4.946 6.248 1.00 0.00 N ATOM 0 H LYS A 65 3.540 5.502 6.226 1.00 0.00 H new ATOM 0 HA LYS A 65 1.750 7.845 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.119 5.394 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.627 5.109 7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.053 7.043 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.717 6.791 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.675 4.207 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.677 4.890 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.005 4.796 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.669 6.416 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.819 5.101 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.258 5.508 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.583 3.937 6.121 1.00 0.00 H new