USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 Single : A 21 TYR OH : rot -31:sc= 0.22 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -3.51! (180deg=-6.13!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.92 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.567 (180deg=0.338) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0135 (180deg=-0.151) USER MOD Single : A 46 SER OG : rot 130:sc= -0.405 USER MOD Single : A 50 ASN : amide:sc= -5.43! C(o=-5.4!,f=-5.4!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5.2!) USER MOD Single : A 60 CYS SG : rot 54:sc= -5.44! USER MOD Single : A 69 GLN :FLIP amide:sc= -2.2! C(o=-4.3!,f=-2.2!) USER MOD Single : A 70 SER OG : rot -66:sc= 0.798 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 GLN :FLIP amide:sc= -1.11 F(o=-4.8!,f=-1.1) USER MOD Single : B 6 THR OG1 : rot 25:sc= -1.48! USER MOD ----------------------------------------------------------------- ATOM 179 N GLU A 19 -10.338 -6.232 3.737 1.00 0.00 N ATOM 180 CA GLU A 19 -9.845 -7.475 3.157 1.00 0.00 C ATOM 181 C GLU A 19 -8.399 -7.332 2.693 1.00 0.00 C ATOM 182 O GLU A 19 -8.037 -6.344 2.056 1.00 0.00 O ATOM 183 CB GLU A 19 -10.728 -7.907 1.988 1.00 0.00 C ATOM 184 CG GLU A 19 -12.156 -8.236 2.393 1.00 0.00 C ATOM 185 CD GLU A 19 -13.008 -8.684 1.220 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.484 -8.729 0.087 1.00 0.00 O ATOM 187 OE2 GLU A 19 -14.199 -8.988 1.436 1.00 0.00 O ATOM 0 HA GLU A 19 -9.881 -8.241 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.745 -7.112 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.284 -8.781 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.143 -9.021 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.610 -7.358 2.853 1.00 0.00 H new ATOM 194 N GLU A 20 -7.579 -8.329 3.016 1.00 0.00 N ATOM 195 CA GLU A 20 -6.171 -8.323 2.633 1.00 0.00 C ATOM 196 C GLU A 20 -6.005 -8.708 1.164 1.00 0.00 C ATOM 197 O GLU A 20 -6.611 -9.670 0.694 1.00 0.00 O ATOM 198 CB GLU A 20 -5.377 -9.292 3.512 1.00 0.00 C ATOM 199 CG GLU A 20 -5.513 -9.017 5.001 1.00 0.00 C ATOM 200 CD GLU A 20 -4.780 -10.036 5.852 1.00 0.00 C ATOM 201 OE1 GLU A 20 -3.545 -10.153 5.706 1.00 0.00 O ATOM 202 OE2 GLU A 20 -5.441 -10.718 6.663 1.00 0.00 O ATOM 0 H GLU A 20 -7.867 -9.153 3.543 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.788 -7.313 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.709 -10.310 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.324 -9.239 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.127 -8.021 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.569 -9.016 5.271 1.00 0.00 H new ATOM 209 N TYR A 21 -5.175 -7.955 0.448 1.00 0.00 N ATOM 210 CA TYR A 21 -4.923 -8.224 -0.965 1.00 0.00 C ATOM 211 C TYR A 21 -3.427 -8.338 -1.237 1.00 0.00 C ATOM 212 O TYR A 21 -2.633 -7.546 -0.730 1.00 0.00 O ATOM 213 CB TYR A 21 -5.528 -7.129 -1.849 1.00 0.00 C ATOM 214 CG TYR A 21 -7.033 -7.215 -2.001 1.00 0.00 C ATOM 215 CD1 TYR A 21 -7.875 -7.106 -0.901 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.610 -7.405 -3.251 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.248 -7.186 -1.044 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.981 -7.485 -3.401 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.795 -7.374 -2.294 1.00 0.00 C ATOM 220 OH TYR A 21 -11.163 -7.454 -2.440 1.00 0.00 O ATOM 0 H TYR A 21 -4.666 -7.154 0.822 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.399 -9.173 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.271 -6.156 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.071 -7.181 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.451 -6.956 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.975 -7.492 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.889 -7.101 -0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.413 -7.634 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.556 -7.847 -1.633 1.00 0.00 H new ATOM 230 N VAL A 22 -3.051 -9.330 -2.039 1.00 0.00 N ATOM 231 CA VAL A 22 -1.650 -9.551 -2.380 1.00 0.00 C ATOM 232 C VAL A 22 -1.042 -8.314 -3.033 1.00 0.00 C ATOM 233 O VAL A 22 -1.675 -7.666 -3.868 1.00 0.00 O ATOM 234 CB VAL A 22 -1.484 -10.756 -3.329 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.014 -10.993 -3.645 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.113 -12.002 -2.725 1.00 0.00 C ATOM 0 H VAL A 22 -3.698 -9.994 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.127 -9.760 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.000 -10.531 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.081 -11.847 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.402 -10.107 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.529 -11.195 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.986 -12.842 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.629 -12.231 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.176 -11.828 -2.557 1.00 0.00 H new ATOM 246 N VAL A 23 0.188 -7.994 -2.646 1.00 0.00 N ATOM 247 CA VAL A 23 0.884 -6.834 -3.192 1.00 0.00 C ATOM 248 C VAL A 23 2.307 -7.200 -3.596 1.00 0.00 C ATOM 249 O VAL A 23 3.011 -7.896 -2.863 1.00 0.00 O ATOM 250 CB VAL A 23 0.934 -5.674 -2.182 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.516 -4.429 -2.833 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.450 -5.393 -1.618 1.00 0.00 C ATOM 0 H VAL A 23 0.724 -8.521 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 23 0.323 -6.511 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 23 1.583 -5.963 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.545 -3.618 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.527 -4.640 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.894 -4.136 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.392 -4.570 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.126 -5.124 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.825 -6.283 -1.113 1.00 0.00 H new ATOM 262 N GLU A 24 2.723 -6.737 -4.770 1.00 0.00 N ATOM 263 CA GLU A 24 4.058 -7.028 -5.274 1.00 0.00 C ATOM 264 C GLU A 24 5.142 -6.312 -4.470 1.00 0.00 C ATOM 265 O GLU A 24 6.072 -6.951 -3.978 1.00 0.00 O ATOM 266 CB GLU A 24 4.167 -6.647 -6.751 1.00 0.00 C ATOM 267 CG GLU A 24 5.545 -6.902 -7.341 1.00 0.00 C ATOM 268 CD GLU A 24 5.607 -6.616 -8.828 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.894 -7.297 -9.593 1.00 0.00 O ATOM 270 OE2 GLU A 24 6.369 -5.711 -9.226 1.00 0.00 O ATOM 0 H GLU A 24 2.155 -6.159 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 24 4.217 -8.101 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.427 -7.210 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.921 -5.591 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.277 -6.281 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.825 -7.940 -7.163 1.00 0.00 H new ATOM 277 N LYS A 25 5.034 -4.987 -4.349 1.00 0.00 N ATOM 278 CA LYS A 25 6.038 -4.216 -3.612 1.00 0.00 C ATOM 279 C LYS A 25 5.687 -2.736 -3.540 1.00 0.00 C ATOM 280 O LYS A 25 5.184 -2.154 -4.500 1.00 0.00 O ATOM 281 CB LYS A 25 7.406 -4.371 -4.276 1.00 0.00 C ATOM 282 CG LYS A 25 8.520 -3.615 -3.565 1.00 0.00 C ATOM 283 CD LYS A 25 9.832 -3.693 -4.332 1.00 0.00 C ATOM 284 CE LYS A 25 9.725 -3.031 -5.697 1.00 0.00 C ATOM 285 NZ LYS A 25 11.014 -3.080 -6.441 1.00 0.00 N ATOM 0 H LYS A 25 4.275 -4.433 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 25 6.062 -4.609 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.664 -5.429 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.342 -4.021 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.231 -2.571 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.658 -4.026 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.621 -3.211 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.120 -4.737 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.950 -3.527 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.416 -1.993 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.899 -2.618 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.748 -2.585 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.296 -4.071 -6.581 1.00 0.00 H new ATOM 299 N VAL A 26 5.989 -2.134 -2.395 1.00 0.00 N ATOM 300 CA VAL A 26 5.748 -0.718 -2.177 1.00 0.00 C ATOM 301 C VAL A 26 6.608 0.113 -3.131 1.00 0.00 C ATOM 302 O VAL A 26 7.783 -0.188 -3.340 1.00 0.00 O ATOM 303 CB VAL A 26 6.051 -0.330 -0.711 1.00 0.00 C ATOM 304 CG1 VAL A 26 6.987 0.862 -0.631 1.00 0.00 C ATOM 305 CG2 VAL A 26 4.765 -0.043 0.038 1.00 0.00 C ATOM 0 H VAL A 26 6.406 -2.614 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 26 4.696 -0.512 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 26 6.551 -1.177 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.177 1.106 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.928 0.619 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.529 1.718 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.997 0.228 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.239 0.781 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.133 -0.931 0.030 1.00 0.00 H new ATOM 315 N LEU A 27 6.015 1.147 -3.715 1.00 0.00 N ATOM 316 CA LEU A 27 6.728 2.003 -4.654 1.00 0.00 C ATOM 317 C LEU A 27 7.325 3.234 -3.975 1.00 0.00 C ATOM 318 O LEU A 27 8.462 3.603 -4.263 1.00 0.00 O ATOM 319 CB LEU A 27 5.808 2.434 -5.802 1.00 0.00 C ATOM 320 CG LEU A 27 5.377 1.321 -6.770 1.00 0.00 C ATOM 321 CD1 LEU A 27 6.589 0.595 -7.336 1.00 0.00 C ATOM 322 CD2 LEU A 27 4.435 0.338 -6.091 1.00 0.00 C ATOM 0 H LEU A 27 5.043 1.413 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 27 7.552 1.414 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.912 2.884 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.313 3.212 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 27 4.841 1.789 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.258 -0.188 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.219 1.303 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.159 0.149 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.147 -0.438 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.938 -0.118 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.545 0.865 -5.748 1.00 0.00 H new ATOM 334 N ASP A 28 6.563 3.878 -3.085 1.00 0.00 N ATOM 335 CA ASP A 28 7.060 5.079 -2.406 1.00 0.00 C ATOM 336 C ASP A 28 6.334 5.353 -1.086 1.00 0.00 C ATOM 337 O ASP A 28 5.904 4.433 -0.393 1.00 0.00 O ATOM 338 CB ASP A 28 6.917 6.300 -3.327 1.00 0.00 C ATOM 339 CG ASP A 28 7.815 6.231 -4.547 1.00 0.00 C ATOM 340 OD1 ASP A 28 9.051 6.190 -4.373 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.281 6.217 -5.676 1.00 0.00 O ATOM 0 H ASP A 28 5.619 3.596 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 28 8.110 4.900 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.880 6.384 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.149 7.203 -2.762 1.00 0.00 H new ATOM 346 N ARG A 29 6.222 6.642 -0.750 1.00 0.00 N ATOM 347 CA ARG A 29 5.573 7.090 0.481 1.00 0.00 C ATOM 348 C ARG A 29 5.345 8.598 0.429 1.00 0.00 C ATOM 349 O ARG A 29 6.259 9.354 0.097 1.00 0.00 O ATOM 350 CB ARG A 29 6.446 6.745 1.692 1.00 0.00 C ATOM 351 CG ARG A 29 5.959 7.360 2.994 1.00 0.00 C ATOM 352 CD ARG A 29 6.985 7.196 4.104 1.00 0.00 C ATOM 353 NE ARG A 29 6.524 7.760 5.370 1.00 0.00 N ATOM 354 CZ ARG A 29 7.248 7.756 6.487 1.00 0.00 C ATOM 355 NH1 ARG A 29 8.465 7.230 6.492 1.00 0.00 N ATOM 356 NH2 ARG A 29 6.755 8.281 7.600 1.00 0.00 N ATOM 0 H ARG A 29 6.580 7.403 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 29 4.613 6.583 0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.483 5.661 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.465 7.081 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.751 8.419 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.021 6.891 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.205 6.137 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.916 7.681 3.810 1.00 0.00 H new ATOM 0 HE ARG A 29 5.595 8.181 5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.850 6.826 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.017 7.229 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.820 8.689 7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.311 8.277 8.455 1.00 0.00 H new ATOM 370 N ARG A 30 4.131 9.040 0.751 1.00 0.00 N ATOM 371 CA ARG A 30 3.826 10.470 0.723 1.00 0.00 C ATOM 372 C ARG A 30 2.659 10.829 1.640 1.00 0.00 C ATOM 373 O ARG A 30 1.660 10.112 1.705 1.00 0.00 O ATOM 374 CB ARG A 30 3.516 10.919 -0.706 1.00 0.00 C ATOM 375 CG ARG A 30 2.253 10.301 -1.281 1.00 0.00 C ATOM 376 CD ARG A 30 2.014 10.751 -2.712 1.00 0.00 C ATOM 377 NE ARG A 30 0.783 10.191 -3.263 1.00 0.00 N ATOM 378 CZ ARG A 30 0.342 10.447 -4.491 1.00 0.00 C ATOM 379 NH1 ARG A 30 1.023 11.257 -5.291 1.00 0.00 N ATOM 380 NH2 ARG A 30 -0.783 9.892 -4.921 1.00 0.00 N ATOM 0 H ARG A 30 3.354 8.441 1.030 1.00 0.00 H new ATOM 0 HA ARG A 30 4.709 10.993 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.419 12.005 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.359 10.664 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.331 9.214 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.398 10.578 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.964 11.839 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.858 10.451 -3.332 1.00 0.00 H new ATOM 0 HE ARG A 30 0.231 9.569 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.889 11.686 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.681 11.450 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.310 9.269 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.121 10.089 -5.863 1.00 0.00 H new ATOM 394 N VAL A 31 2.790 11.960 2.329 1.00 0.00 N ATOM 395 CA VAL A 31 1.745 12.445 3.225 1.00 0.00 C ATOM 396 C VAL A 31 0.964 13.578 2.564 1.00 0.00 C ATOM 397 O VAL A 31 1.553 14.539 2.068 1.00 0.00 O ATOM 398 CB VAL A 31 2.333 12.942 4.560 1.00 0.00 C ATOM 399 CG1 VAL A 31 1.228 13.433 5.483 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.145 11.843 5.228 1.00 0.00 C ATOM 0 H VAL A 31 3.614 12.560 2.283 1.00 0.00 H new ATOM 0 HA VAL A 31 1.076 11.609 3.431 1.00 0.00 H new ATOM 0 HB VAL A 31 2.999 13.780 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.664 13.780 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.693 14.254 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.534 12.617 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.552 12.212 6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.503 10.984 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.962 11.544 4.571 1.00 0.00 H new ATOM 410 N VAL A 32 -0.360 13.458 2.552 1.00 0.00 N ATOM 411 CA VAL A 32 -1.214 14.474 1.942 1.00 0.00 C ATOM 412 C VAL A 32 -1.690 15.501 2.967 1.00 0.00 C ATOM 413 O VAL A 32 -1.747 16.698 2.684 1.00 0.00 O ATOM 414 CB VAL A 32 -2.437 13.838 1.250 1.00 0.00 C ATOM 415 CG1 VAL A 32 -1.993 12.925 0.117 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.289 13.073 2.253 1.00 0.00 C ATOM 0 H VAL A 32 -0.865 12.669 2.957 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.606 14.983 1.194 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.046 14.638 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.869 12.485 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.432 13.503 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.360 12.132 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.146 12.633 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.693 12.282 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.639 13.755 3.028 1.00 0.00 H new ATOM 426 N LYS A 33 -2.039 15.017 4.154 1.00 0.00 N ATOM 427 CA LYS A 33 -2.522 15.872 5.233 1.00 0.00 C ATOM 428 C LYS A 33 -2.638 15.062 6.519 1.00 0.00 C ATOM 429 O LYS A 33 -3.705 14.981 7.129 1.00 0.00 O ATOM 430 CB LYS A 33 -3.877 16.482 4.864 1.00 0.00 C ATOM 431 CG LYS A 33 -4.932 15.450 4.489 1.00 0.00 C ATOM 432 CD LYS A 33 -6.261 16.097 4.121 1.00 0.00 C ATOM 433 CE LYS A 33 -6.185 16.850 2.796 1.00 0.00 C ATOM 434 NZ LYS A 33 -5.271 18.024 2.863 1.00 0.00 N ATOM 0 H LYS A 33 -1.996 14.027 4.395 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.811 16.684 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.241 17.071 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.741 17.169 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.574 14.855 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.081 14.765 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.032 15.329 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.560 16.785 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.844 16.171 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.183 17.185 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.696 18.825 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.118 18.288 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.360 17.780 2.425 1.00 0.00 H new ATOM 448 N GLY A 34 -1.531 14.441 6.907 1.00 0.00 N ATOM 449 CA GLY A 34 -1.521 13.615 8.095 1.00 0.00 C ATOM 450 C GLY A 34 -1.606 12.148 7.736 1.00 0.00 C ATOM 451 O GLY A 34 -1.148 11.285 8.485 1.00 0.00 O ATOM 0 H GLY A 34 -0.638 14.496 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.610 13.802 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.359 13.885 8.737 1.00 0.00 H new ATOM 455 N LYS A 35 -2.194 11.872 6.573 1.00 0.00 N ATOM 456 CA LYS A 35 -2.343 10.511 6.087 1.00 0.00 C ATOM 457 C LYS A 35 -0.985 9.907 5.754 1.00 0.00 C ATOM 458 O LYS A 35 -0.027 10.625 5.468 1.00 0.00 O ATOM 459 CB LYS A 35 -3.241 10.490 4.849 1.00 0.00 C ATOM 460 CG LYS A 35 -4.566 11.213 5.043 1.00 0.00 C ATOM 461 CD LYS A 35 -5.364 10.637 6.204 1.00 0.00 C ATOM 462 CE LYS A 35 -5.734 9.182 5.964 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.525 8.618 7.092 1.00 0.00 N ATOM 0 H LYS A 35 -2.576 12.583 5.949 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.805 9.914 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.707 10.946 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.439 9.455 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.379 12.272 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.155 11.143 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.782 10.718 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.271 11.224 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.308 9.101 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.826 8.594 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.758 7.625 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.967 8.672 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.403 9.163 7.207 1.00 0.00 H new ATOM 477 N VAL A 36 -0.908 8.584 5.798 1.00 0.00 N ATOM 478 CA VAL A 36 0.333 7.877 5.506 1.00 0.00 C ATOM 479 C VAL A 36 0.102 6.793 4.456 1.00 0.00 C ATOM 480 O VAL A 36 0.277 5.604 4.722 1.00 0.00 O ATOM 481 CB VAL A 36 0.919 7.242 6.784 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.329 6.733 6.537 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.898 8.236 7.934 1.00 0.00 C ATOM 0 H VAL A 36 -1.693 7.976 6.034 1.00 0.00 H new ATOM 0 HA VAL A 36 1.045 8.605 5.116 1.00 0.00 H new ATOM 0 HB VAL A 36 0.296 6.390 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.721 6.290 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.311 5.981 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.967 7.563 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.315 7.769 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.493 9.110 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.129 8.542 8.132 1.00 0.00 H new ATOM 493 N GLU A 37 -0.315 7.211 3.262 1.00 0.00 N ATOM 494 CA GLU A 37 -0.594 6.274 2.178 1.00 0.00 C ATOM 495 C GLU A 37 0.653 5.966 1.352 1.00 0.00 C ATOM 496 O GLU A 37 1.353 6.869 0.891 1.00 0.00 O ATOM 497 CB GLU A 37 -1.694 6.831 1.272 1.00 0.00 C ATOM 498 CG GLU A 37 -1.335 8.155 0.621 1.00 0.00 C ATOM 499 CD GLU A 37 -2.469 8.726 -0.210 1.00 0.00 C ATOM 500 OE1 GLU A 37 -3.539 8.085 -0.276 1.00 0.00 O ATOM 501 OE2 GLU A 37 -2.287 9.814 -0.795 1.00 0.00 O ATOM 0 H GLU A 37 -0.467 8.191 3.022 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.929 5.341 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.915 6.101 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.605 6.959 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.060 8.872 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.459 8.018 -0.013 1.00 0.00 H new ATOM 508 N TYR A 38 0.906 4.676 1.163 1.00 0.00 N ATOM 509 CA TYR A 38 2.046 4.211 0.381 1.00 0.00 C ATOM 510 C TYR A 38 1.587 3.707 -0.976 1.00 0.00 C ATOM 511 O TYR A 38 0.463 3.230 -1.120 1.00 0.00 O ATOM 512 CB TYR A 38 2.788 3.081 1.099 1.00 0.00 C ATOM 513 CG TYR A 38 3.637 3.528 2.264 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.086 4.222 3.331 1.00 0.00 C ATOM 515 CD2 TYR A 38 4.997 3.244 2.297 1.00 0.00 C ATOM 516 CE1 TYR A 38 3.865 4.620 4.398 1.00 0.00 C ATOM 517 CE2 TYR A 38 5.783 3.637 3.362 1.00 0.00 C ATOM 518 CZ TYR A 38 5.212 4.325 4.411 1.00 0.00 C ATOM 519 OH TYR A 38 5.989 4.718 5.477 1.00 0.00 O ATOM 0 H TYR A 38 0.330 3.926 1.545 1.00 0.00 H new ATOM 0 HA TYR A 38 2.721 5.058 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.058 2.354 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.424 2.567 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.031 4.454 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.447 2.707 1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.421 5.161 5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.838 3.407 3.373 1.00 0.00 H new ATOM 0 HH TYR A 38 6.843 4.237 5.454 1.00 0.00 H new ATOM 529 N LEU A 39 2.464 3.797 -1.967 1.00 0.00 N ATOM 530 CA LEU A 39 2.140 3.322 -3.302 1.00 0.00 C ATOM 531 C LEU A 39 2.425 1.828 -3.399 1.00 0.00 C ATOM 532 O LEU A 39 3.415 1.349 -2.851 1.00 0.00 O ATOM 533 CB LEU A 39 2.939 4.090 -4.355 1.00 0.00 C ATOM 534 CG LEU A 39 2.577 3.762 -5.804 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.068 3.761 -5.984 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.225 4.760 -6.748 1.00 0.00 C ATOM 0 H LEU A 39 3.399 4.192 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 39 1.080 3.494 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.794 5.158 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.999 3.886 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 39 2.954 2.767 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.825 3.526 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.624 3.012 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.671 4.744 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.959 4.514 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.874 5.765 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.308 4.718 -6.634 1.00 0.00 H new ATOM 548 N LEU A 40 1.550 1.085 -4.074 1.00 0.00 N ATOM 549 CA LEU A 40 1.729 -0.359 -4.202 1.00 0.00 C ATOM 550 C LEU A 40 1.124 -0.897 -5.494 1.00 0.00 C ATOM 551 O LEU A 40 -0.011 -0.573 -5.840 1.00 0.00 O ATOM 552 CB LEU A 40 1.090 -1.095 -3.021 1.00 0.00 C ATOM 553 CG LEU A 40 1.667 -0.768 -1.644 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.961 0.428 -1.047 1.00 0.00 C ATOM 555 CD2 LEU A 40 1.559 -1.961 -0.707 1.00 0.00 C ATOM 0 H LEU A 40 0.719 1.454 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 40 2.804 -0.537 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.024 -0.869 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.187 -2.167 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 40 2.723 -0.529 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.384 0.648 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.091 1.291 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.102 0.209 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.977 -1.699 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.511 -2.237 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.111 -2.803 -1.125 1.00 0.00 H new ATOM 567 N LYS A 41 1.877 -1.751 -6.183 1.00 0.00 N ATOM 568 CA LYS A 41 1.395 -2.364 -7.414 1.00 0.00 C ATOM 569 C LYS A 41 0.505 -3.551 -7.049 1.00 0.00 C ATOM 570 O LYS A 41 0.919 -4.432 -6.296 1.00 0.00 O ATOM 571 CB LYS A 41 2.574 -2.813 -8.286 1.00 0.00 C ATOM 572 CG LYS A 41 2.234 -2.959 -9.765 1.00 0.00 C ATOM 573 CD LYS A 41 1.194 -4.041 -10.012 1.00 0.00 C ATOM 574 CE LYS A 41 1.733 -5.425 -9.684 1.00 0.00 C ATOM 575 NZ LYS A 41 2.894 -5.784 -10.545 1.00 0.00 N ATOM 0 H LYS A 41 2.819 -2.032 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 41 0.818 -1.640 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.385 -2.093 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.945 -3.768 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.863 -2.008 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.140 -3.195 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.310 -3.842 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.878 -4.011 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.033 -5.460 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.942 -6.164 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.318 -6.671 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.573 -5.908 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.603 -5.024 -10.506 1.00 0.00 H new ATOM 589 N TRP A 42 -0.725 -3.556 -7.551 1.00 0.00 N ATOM 590 CA TRP A 42 -1.668 -4.625 -7.229 1.00 0.00 C ATOM 591 C TRP A 42 -1.755 -5.676 -8.333 1.00 0.00 C ATOM 592 O TRP A 42 -1.816 -5.353 -9.519 1.00 0.00 O ATOM 593 CB TRP A 42 -3.044 -4.026 -6.940 1.00 0.00 C ATOM 594 CG TRP A 42 -2.963 -2.824 -6.051 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.807 -1.527 -6.446 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.985 -2.807 -4.617 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.741 -0.704 -5.348 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.848 -1.465 -4.215 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.111 -3.793 -3.636 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.832 -1.086 -2.877 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.095 -3.414 -2.305 1.00 0.00 C ATOM 602 CH2 TRP A 42 -2.957 -2.070 -1.937 1.00 0.00 C ATOM 0 H TRP A 42 -1.092 -2.839 -8.177 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.300 -5.138 -6.340 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.522 -3.749 -7.880 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.675 -4.781 -6.471 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.745 -1.196 -7.472 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.630 0.310 -5.373 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.219 -4.832 -3.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.725 -0.050 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.191 -4.168 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.949 -1.806 -0.890 1.00 0.00 H new ATOM 613 N LYS A 43 -1.759 -6.941 -7.917 1.00 0.00 N ATOM 614 CA LYS A 43 -1.839 -8.073 -8.838 1.00 0.00 C ATOM 615 C LYS A 43 -3.189 -8.119 -9.551 1.00 0.00 C ATOM 616 O LYS A 43 -4.204 -7.675 -9.013 1.00 0.00 O ATOM 617 CB LYS A 43 -1.604 -9.380 -8.074 1.00 0.00 C ATOM 618 CG LYS A 43 -1.712 -10.628 -8.937 1.00 0.00 C ATOM 619 CD LYS A 43 -1.467 -11.889 -8.124 1.00 0.00 C ATOM 620 CE LYS A 43 -1.654 -13.143 -8.965 1.00 0.00 C ATOM 621 NZ LYS A 43 -0.716 -13.181 -10.121 1.00 0.00 N ATOM 0 H LYS A 43 -1.707 -7.210 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.065 -7.949 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.614 -9.350 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.327 -9.449 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.702 -10.673 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.990 -10.572 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.456 -11.870 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.151 -11.914 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.499 -14.024 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.681 -13.186 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.742 -14.124 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.999 -12.466 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.249 -12.979 -9.791 1.00 0.00 H new ATOM 635 N GLY A 44 -3.189 -8.664 -10.765 1.00 0.00 N ATOM 636 CA GLY A 44 -4.412 -8.770 -11.542 1.00 0.00 C ATOM 637 C GLY A 44 -4.697 -7.523 -12.356 1.00 0.00 C ATOM 638 O GLY A 44 -4.913 -7.602 -13.565 1.00 0.00 O ATOM 0 H GLY A 44 -2.359 -9.036 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.339 -9.627 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.249 -8.960 -10.870 1.00 0.00 H new ATOM 642 N PHE A 45 -4.692 -6.372 -11.693 1.00 0.00 N ATOM 643 CA PHE A 45 -4.946 -5.103 -12.366 1.00 0.00 C ATOM 644 C PHE A 45 -3.769 -4.721 -13.265 1.00 0.00 C ATOM 645 O PHE A 45 -3.401 -5.472 -14.169 1.00 0.00 O ATOM 646 CB PHE A 45 -5.228 -3.999 -11.341 1.00 0.00 C ATOM 647 CG PHE A 45 -6.565 -4.119 -10.659 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.983 -5.323 -10.111 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.404 -3.020 -10.565 1.00 0.00 C ATOM 650 CE1 PHE A 45 -8.211 -5.427 -9.486 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.634 -3.119 -9.940 1.00 0.00 C ATOM 652 CZ PHE A 45 -9.038 -4.324 -9.400 1.00 0.00 C ATOM 0 H PHE A 45 -4.515 -6.291 -10.692 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.828 -5.219 -12.996 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.444 -4.012 -10.584 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.173 -3.032 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.341 -6.189 -10.174 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.094 -2.075 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.524 -6.371 -9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.278 -2.254 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.998 -4.404 -8.912 1.00 0.00 H new ATOM 662 N SER A 46 -3.181 -3.554 -13.016 1.00 0.00 N ATOM 663 CA SER A 46 -2.051 -3.082 -13.805 1.00 0.00 C ATOM 664 C SER A 46 -1.231 -2.072 -13.015 1.00 0.00 C ATOM 665 O SER A 46 -1.764 -1.353 -12.170 1.00 0.00 O ATOM 666 CB SER A 46 -2.537 -2.453 -15.112 1.00 0.00 C ATOM 667 OG SER A 46 -3.389 -1.350 -14.860 1.00 0.00 O ATOM 0 H SER A 46 -3.470 -2.918 -12.273 1.00 0.00 H new ATOM 0 HA SER A 46 -1.419 -3.938 -14.040 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.681 -2.128 -15.703 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.068 -3.199 -15.703 1.00 0.00 H new ATOM 0 HG SER A 46 -3.085 -0.576 -15.379 1.00 0.00 H new ATOM 673 N ASP A 47 0.071 -2.033 -13.288 1.00 0.00 N ATOM 674 CA ASP A 47 0.976 -1.120 -12.600 1.00 0.00 C ATOM 675 C ASP A 47 0.410 0.296 -12.568 1.00 0.00 C ATOM 676 O ASP A 47 0.387 0.937 -11.522 1.00 0.00 O ATOM 677 CB ASP A 47 2.344 -1.115 -13.288 1.00 0.00 C ATOM 678 CG ASP A 47 2.979 -2.492 -13.334 1.00 0.00 C ATOM 679 OD1 ASP A 47 2.354 -3.454 -12.841 1.00 0.00 O ATOM 680 OD2 ASP A 47 4.104 -2.608 -13.864 1.00 0.00 O ATOM 0 H ASP A 47 0.523 -2.626 -13.984 1.00 0.00 H new ATOM 0 HA ASP A 47 1.088 -1.468 -11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.234 -0.735 -14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.009 -0.430 -12.762 1.00 0.00 H new ATOM 685 N GLU A 48 -0.047 0.773 -13.718 1.00 0.00 N ATOM 686 CA GLU A 48 -0.609 2.112 -13.824 1.00 0.00 C ATOM 687 C GLU A 48 -1.773 2.310 -12.852 1.00 0.00 C ATOM 688 O GLU A 48 -1.916 3.379 -12.258 1.00 0.00 O ATOM 689 CB GLU A 48 -1.071 2.368 -15.259 1.00 0.00 C ATOM 690 CG GLU A 48 0.052 2.290 -16.280 1.00 0.00 C ATOM 691 CD GLU A 48 -0.420 2.568 -17.694 1.00 0.00 C ATOM 692 OE1 GLU A 48 -1.630 2.814 -17.880 1.00 0.00 O ATOM 693 OE2 GLU A 48 0.421 2.539 -18.618 1.00 0.00 O ATOM 0 H GLU A 48 -0.039 0.250 -14.594 1.00 0.00 H new ATOM 0 HA GLU A 48 0.169 2.828 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.840 1.641 -15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.533 3.354 -15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.829 3.006 -16.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.504 1.299 -16.241 1.00 0.00 H new ATOM 700 N ASP A 49 -2.605 1.284 -12.705 1.00 0.00 N ATOM 701 CA ASP A 49 -3.760 1.355 -11.817 1.00 0.00 C ATOM 702 C ASP A 49 -3.377 1.186 -10.345 1.00 0.00 C ATOM 703 O ASP A 49 -4.129 0.593 -9.570 1.00 0.00 O ATOM 704 CB ASP A 49 -4.785 0.292 -12.209 1.00 0.00 C ATOM 705 CG ASP A 49 -5.501 0.625 -13.503 1.00 0.00 C ATOM 706 OD1 ASP A 49 -4.818 0.792 -14.535 1.00 0.00 O ATOM 707 OD2 ASP A 49 -6.747 0.718 -13.485 1.00 0.00 O ATOM 0 H ASP A 49 -2.501 0.393 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.192 2.349 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.284 -0.671 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.518 0.186 -11.409 1.00 0.00 H new ATOM 712 N ASN A 50 -2.223 1.718 -9.954 1.00 0.00 N ATOM 713 CA ASN A 50 -1.782 1.626 -8.565 1.00 0.00 C ATOM 714 C ASN A 50 -2.405 2.742 -7.728 1.00 0.00 C ATOM 715 O ASN A 50 -2.541 3.873 -8.192 1.00 0.00 O ATOM 716 CB ASN A 50 -0.254 1.677 -8.463 1.00 0.00 C ATOM 717 CG ASN A 50 0.350 2.885 -9.156 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.061 4.022 -8.925 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.352 2.643 -9.992 1.00 0.00 N ATOM 0 H ASN A 50 -1.581 2.213 -10.573 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.116 0.665 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.034 1.687 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.164 0.769 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.813 3.416 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.661 1.684 -10.154 1.00 0.00 H new ATOM 726 N THR A 51 -2.788 2.416 -6.495 1.00 0.00 N ATOM 727 CA THR A 51 -3.400 3.397 -5.605 1.00 0.00 C ATOM 728 C THR A 51 -2.755 3.370 -4.220 1.00 0.00 C ATOM 729 O THR A 51 -2.559 2.306 -3.635 1.00 0.00 O ATOM 730 CB THR A 51 -4.917 3.163 -5.460 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.491 4.172 -4.618 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.208 1.788 -4.873 1.00 0.00 C ATOM 0 H THR A 51 -2.686 1.485 -6.092 1.00 0.00 H new ATOM 0 HA THR A 51 -3.235 4.374 -6.058 1.00 0.00 H new ATOM 0 HB THR A 51 -5.361 3.217 -6.454 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.455 4.017 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.286 1.652 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.799 1.019 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.748 1.708 -3.888 1.00 0.00 H new ATOM 740 N TRP A 52 -2.426 4.551 -3.705 1.00 0.00 N ATOM 741 CA TRP A 52 -1.805 4.669 -2.396 1.00 0.00 C ATOM 742 C TRP A 52 -2.824 4.382 -1.298 1.00 0.00 C ATOM 743 O TRP A 52 -3.883 5.008 -1.245 1.00 0.00 O ATOM 744 CB TRP A 52 -1.215 6.068 -2.215 1.00 0.00 C ATOM 745 CG TRP A 52 -0.319 6.493 -3.343 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.651 6.614 -4.664 1.00 0.00 C ATOM 747 CD2 TRP A 52 1.063 6.842 -3.246 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.445 7.018 -5.390 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.507 7.168 -4.541 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.966 6.911 -2.187 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.817 7.558 -4.801 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.263 7.297 -2.446 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.680 7.617 -3.743 1.00 0.00 C ATOM 0 H TRP A 52 -2.581 5.441 -4.179 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.001 3.937 -2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.029 6.787 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.651 6.098 -1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.630 6.421 -5.077 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.463 7.179 -6.397 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.655 6.666 -1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.140 7.805 -5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.971 7.354 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.704 7.916 -3.911 1.00 0.00 H new ATOM 764 N GLU A 53 -2.503 3.429 -0.430 1.00 0.00 N ATOM 765 CA GLU A 53 -3.401 3.059 0.659 1.00 0.00 C ATOM 766 C GLU A 53 -2.817 3.452 2.013 1.00 0.00 C ATOM 767 O GLU A 53 -1.606 3.373 2.218 1.00 0.00 O ATOM 768 CB GLU A 53 -3.679 1.556 0.628 1.00 0.00 C ATOM 769 CG GLU A 53 -4.195 1.058 -0.714 1.00 0.00 C ATOM 770 CD GLU A 53 -5.506 1.706 -1.125 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.526 2.940 -1.319 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.512 0.979 -1.253 1.00 0.00 O ATOM 0 H GLU A 53 -1.631 2.900 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.337 3.600 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.763 1.021 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.409 1.314 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.444 1.252 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.330 -0.023 -0.667 1.00 0.00 H new ATOM 779 N PRO A 54 -3.674 3.878 2.961 1.00 0.00 N ATOM 780 CA PRO A 54 -3.234 4.277 4.299 1.00 0.00 C ATOM 781 C PRO A 54 -2.389 3.200 4.967 1.00 0.00 C ATOM 782 O PRO A 54 -2.700 2.012 4.885 1.00 0.00 O ATOM 783 CB PRO A 54 -4.540 4.495 5.076 1.00 0.00 C ATOM 784 CG PRO A 54 -5.618 3.906 4.227 1.00 0.00 C ATOM 785 CD PRO A 54 -5.131 3.997 2.811 1.00 0.00 C ATOM 0 HA PRO A 54 -2.602 5.164 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.501 4.010 6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.717 5.556 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.812 2.870 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.554 4.450 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.540 3.200 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.414 4.941 2.345 1.00 0.00 H new ATOM 793 N GLU A 55 -1.315 3.630 5.619 1.00 0.00 N ATOM 794 CA GLU A 55 -0.407 2.715 6.298 1.00 0.00 C ATOM 795 C GLU A 55 -1.153 1.836 7.298 1.00 0.00 C ATOM 796 O GLU A 55 -0.870 0.644 7.419 1.00 0.00 O ATOM 797 CB GLU A 55 0.700 3.502 7.005 1.00 0.00 C ATOM 798 CG GLU A 55 1.641 2.632 7.823 1.00 0.00 C ATOM 799 CD GLU A 55 2.286 1.535 7.000 1.00 0.00 C ATOM 800 OE1 GLU A 55 3.021 1.863 6.044 1.00 0.00 O ATOM 801 OE2 GLU A 55 2.052 0.349 7.309 1.00 0.00 O ATOM 0 H GLU A 55 -1.051 4.613 5.691 1.00 0.00 H new ATOM 0 HA GLU A 55 0.041 2.063 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.279 4.047 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.244 4.245 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.419 3.257 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.089 2.184 8.649 1.00 0.00 H new ATOM 808 N GLU A 56 -2.106 2.429 8.009 1.00 0.00 N ATOM 809 CA GLU A 56 -2.891 1.696 8.997 1.00 0.00 C ATOM 810 C GLU A 56 -3.550 0.474 8.362 1.00 0.00 C ATOM 811 O GLU A 56 -3.566 -0.611 8.944 1.00 0.00 O ATOM 812 CB GLU A 56 -3.960 2.608 9.606 1.00 0.00 C ATOM 813 CG GLU A 56 -3.390 3.849 10.275 1.00 0.00 C ATOM 814 CD GLU A 56 -4.469 4.757 10.838 1.00 0.00 C ATOM 815 OE1 GLU A 56 -5.664 4.417 10.703 1.00 0.00 O ATOM 816 OE2 GLU A 56 -4.118 5.809 11.411 1.00 0.00 O ATOM 0 H GLU A 56 -2.354 3.414 7.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.219 1.358 9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.654 2.913 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.535 2.042 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.718 3.548 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.793 4.405 9.552 1.00 0.00 H new ATOM 823 N ASN A 57 -4.091 0.663 7.162 1.00 0.00 N ATOM 824 CA ASN A 57 -4.754 -0.414 6.432 1.00 0.00 C ATOM 825 C ASN A 57 -3.757 -1.467 5.963 1.00 0.00 C ATOM 826 O ASN A 57 -4.050 -2.663 5.982 1.00 0.00 O ATOM 827 CB ASN A 57 -5.501 0.154 5.226 1.00 0.00 C ATOM 828 CG ASN A 57 -6.673 1.025 5.630 1.00 0.00 C ATOM 829 OD1 ASN A 57 -6.517 1.985 6.385 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.855 0.699 5.122 1.00 0.00 N ATOM 0 H ASN A 57 -4.083 1.557 6.672 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.460 -0.891 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.811 0.738 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.859 -0.667 4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.680 1.253 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.939 -0.105 4.500 1.00 0.00 H new ATOM 837 N LEU A 58 -2.589 -1.012 5.521 1.00 0.00 N ATOM 838 CA LEU A 58 -1.555 -1.911 5.021 1.00 0.00 C ATOM 839 C LEU A 58 -1.234 -3.010 6.029 1.00 0.00 C ATOM 840 O LEU A 58 -1.087 -2.751 7.224 1.00 0.00 O ATOM 841 CB LEU A 58 -0.283 -1.126 4.681 1.00 0.00 C ATOM 842 CG LEU A 58 -0.494 0.133 3.830 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.831 0.636 3.283 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.468 -0.130 2.692 1.00 0.00 C ATOM 0 H LEU A 58 -2.335 -0.024 5.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.938 -2.383 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.205 -0.837 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.403 -1.789 4.154 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.923 0.902 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.661 1.529 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.498 0.877 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.286 -0.137 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.598 0.780 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.075 -0.920 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.430 -0.439 3.101 1.00 0.00 H new ATOM 856 N ASP A 59 -1.123 -4.237 5.529 1.00 0.00 N ATOM 857 CA ASP A 59 -0.814 -5.389 6.369 1.00 0.00 C ATOM 858 C ASP A 59 0.329 -6.186 5.752 1.00 0.00 C ATOM 859 O ASP A 59 0.256 -7.409 5.623 1.00 0.00 O ATOM 860 CB ASP A 59 -2.050 -6.280 6.526 1.00 0.00 C ATOM 861 CG ASP A 59 -1.866 -7.343 7.592 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.630 -6.975 8.762 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.958 -8.542 7.257 1.00 0.00 O ATOM 0 H ASP A 59 -1.243 -4.459 4.541 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.512 -5.035 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.911 -5.661 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.272 -6.760 5.573 1.00 0.00 H new ATOM 868 N CYS A 60 1.377 -5.475 5.354 1.00 0.00 N ATOM 869 CA CYS A 60 2.533 -6.098 4.727 1.00 0.00 C ATOM 870 C CYS A 60 3.813 -5.325 5.044 1.00 0.00 C ATOM 871 O CYS A 60 4.451 -4.775 4.146 1.00 0.00 O ATOM 872 CB CYS A 60 2.328 -6.172 3.216 1.00 0.00 C ATOM 873 SG CYS A 60 1.980 -4.575 2.447 1.00 0.00 S ATOM 0 H CYS A 60 1.449 -4.463 5.456 1.00 0.00 H new ATOM 0 HA CYS A 60 2.637 -7.106 5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.221 -6.598 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.505 -6.854 3.004 1.00 0.00 H new ATOM 0 HG CYS A 60 2.907 -3.724 2.775 1.00 0.00 H new ATOM 879 N PRO A 61 4.210 -5.277 6.331 1.00 0.00 N ATOM 880 CA PRO A 61 5.422 -4.572 6.758 1.00 0.00 C ATOM 881 C PRO A 61 6.632 -4.955 5.914 1.00 0.00 C ATOM 882 O PRO A 61 7.598 -4.198 5.818 1.00 0.00 O ATOM 883 CB PRO A 61 5.610 -5.031 8.205 1.00 0.00 C ATOM 884 CG PRO A 61 4.237 -5.370 8.671 1.00 0.00 C ATOM 885 CD PRO A 61 3.513 -5.912 7.469 1.00 0.00 C ATOM 0 HA PRO A 61 5.328 -3.491 6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.273 -5.894 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.054 -4.245 8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.268 -6.108 9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.731 -4.490 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.573 -6.999 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.455 -5.652 7.487 1.00 0.00 H new ATOM 893 N ASP A 62 6.567 -6.136 5.303 1.00 0.00 N ATOM 894 CA ASP A 62 7.650 -6.626 4.460 1.00 0.00 C ATOM 895 C ASP A 62 7.975 -5.630 3.351 1.00 0.00 C ATOM 896 O ASP A 62 9.142 -5.321 3.111 1.00 0.00 O ATOM 897 CB ASP A 62 7.280 -7.981 3.852 1.00 0.00 C ATOM 898 CG ASP A 62 7.035 -9.044 4.908 1.00 0.00 C ATOM 899 OD1 ASP A 62 7.157 -8.729 6.110 1.00 0.00 O ATOM 900 OD2 ASP A 62 6.720 -10.192 4.530 1.00 0.00 O ATOM 0 H ASP A 62 5.773 -6.771 5.378 1.00 0.00 H new ATOM 0 HA ASP A 62 8.535 -6.745 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.385 -7.869 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.081 -8.309 3.189 1.00 0.00 H new ATOM 905 N LEU A 63 6.941 -5.122 2.682 1.00 0.00 N ATOM 906 CA LEU A 63 7.134 -4.155 1.608 1.00 0.00 C ATOM 907 C LEU A 63 7.732 -2.872 2.162 1.00 0.00 C ATOM 908 O LEU A 63 8.657 -2.303 1.583 1.00 0.00 O ATOM 909 CB LEU A 63 5.810 -3.839 0.916 1.00 0.00 C ATOM 910 CG LEU A 63 5.008 -5.048 0.434 1.00 0.00 C ATOM 911 CD1 LEU A 63 3.787 -4.584 -0.330 1.00 0.00 C ATOM 912 CD2 LEU A 63 5.855 -5.956 -0.439 1.00 0.00 C ATOM 0 H LEU A 63 5.967 -5.364 2.865 1.00 0.00 H new ATOM 0 HA LEU A 63 7.816 -4.592 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.189 -3.266 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.013 -3.196 0.059 1.00 0.00 H new ATOM 0 HG LEU A 63 4.693 -5.618 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.220 -5.450 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.161 -3.974 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.099 -3.993 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.257 -6.807 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.204 -5.401 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.712 -6.313 0.132 1.00 0.00 H new ATOM 924 N ILE A 64 7.191 -2.428 3.290 1.00 0.00 N ATOM 925 CA ILE A 64 7.660 -1.215 3.943 1.00 0.00 C ATOM 926 C ILE A 64 9.159 -1.300 4.201 1.00 0.00 C ATOM 927 O ILE A 64 9.894 -0.345 3.958 1.00 0.00 O ATOM 928 CB ILE A 64 6.912 -0.981 5.268 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.404 -0.928 5.006 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.392 0.303 5.933 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.562 -0.908 6.262 1.00 0.00 C ATOM 0 H ILE A 64 6.423 -2.894 3.773 1.00 0.00 H new ATOM 0 HA ILE A 64 7.459 -0.374 3.280 1.00 0.00 H new ATOM 0 HB ILE A 64 7.121 -1.808 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.179 -0.040 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.120 -1.791 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.852 0.452 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.460 0.229 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.208 1.148 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.507 -0.870 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.756 -1.809 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.816 -0.030 6.856 1.00 0.00 H new ATOM 943 N ALA A 65 9.607 -2.460 4.667 1.00 0.00 N ATOM 944 CA ALA A 65 11.022 -2.678 4.925 1.00 0.00 C ATOM 945 C ALA A 65 11.795 -2.643 3.615 1.00 0.00 C ATOM 946 O ALA A 65 12.871 -2.051 3.529 1.00 0.00 O ATOM 947 CB ALA A 65 11.236 -4.005 5.638 1.00 0.00 C ATOM 0 H ALA A 65 9.011 -3.262 4.873 1.00 0.00 H new ATOM 0 HA ALA A 65 11.390 -1.883 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.300 -4.151 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.700 -3.999 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.861 -4.817 5.015 1.00 0.00 H new ATOM 953 N GLU A 66 11.223 -3.276 2.591 1.00 0.00 N ATOM 954 CA GLU A 66 11.833 -3.320 1.268 1.00 0.00 C ATOM 955 C GLU A 66 12.071 -1.911 0.737 1.00 0.00 C ATOM 956 O GLU A 66 13.087 -1.639 0.097 1.00 0.00 O ATOM 957 CB GLU A 66 10.941 -4.105 0.298 1.00 0.00 C ATOM 958 CG GLU A 66 10.881 -5.594 0.600 1.00 0.00 C ATOM 959 CD GLU A 66 10.048 -6.359 -0.410 1.00 0.00 C ATOM 960 OE1 GLU A 66 8.849 -6.041 -0.552 1.00 0.00 O ATOM 961 OE2 GLU A 66 10.594 -7.274 -1.061 1.00 0.00 O ATOM 0 H GLU A 66 10.332 -3.768 2.656 1.00 0.00 H new ATOM 0 HA GLU A 66 12.795 -3.825 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.932 -3.694 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.309 -3.963 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.893 -6.000 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.465 -5.743 1.596 1.00 0.00 H new ATOM 968 N PHE A 67 11.122 -1.026 1.007 1.00 0.00 N ATOM 969 CA PHE A 67 11.204 0.358 0.561 1.00 0.00 C ATOM 970 C PHE A 67 12.407 1.078 1.173 1.00 0.00 C ATOM 971 O PHE A 67 13.266 1.590 0.454 1.00 0.00 O ATOM 972 CB PHE A 67 9.912 1.081 0.940 1.00 0.00 C ATOM 973 CG PHE A 67 9.874 2.527 0.545 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.145 2.920 -0.756 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.559 3.494 1.481 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.105 4.254 -1.111 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.518 4.826 1.139 1.00 0.00 C ATOM 978 CZ PHE A 67 9.790 5.211 -0.162 1.00 0.00 C ATOM 0 H PHE A 67 10.279 -1.245 1.538 1.00 0.00 H new ATOM 0 HA PHE A 67 11.335 0.365 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.072 0.567 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.771 1.007 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.390 2.176 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.342 3.199 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.319 4.550 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.274 5.569 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.757 6.255 -0.436 1.00 0.00 H new ATOM 988 N LEU A 68 12.451 1.131 2.500 1.00 0.00 N ATOM 989 CA LEU A 68 13.525 1.805 3.214 1.00 0.00 C ATOM 990 C LEU A 68 14.892 1.168 2.972 1.00 0.00 C ATOM 991 O LEU A 68 15.918 1.812 3.192 1.00 0.00 O ATOM 992 CB LEU A 68 13.203 1.841 4.705 1.00 0.00 C ATOM 993 CG LEU A 68 12.068 2.795 5.088 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.786 2.456 4.350 1.00 0.00 C ATOM 995 CD2 LEU A 68 11.828 2.763 6.579 1.00 0.00 C ATOM 0 H LEU A 68 11.747 0.710 3.106 1.00 0.00 H new ATOM 0 HA LEU A 68 13.589 2.821 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.940 0.835 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.102 2.128 5.251 1.00 0.00 H new ATOM 0 HG LEU A 68 12.372 3.801 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.001 3.152 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.954 2.532 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.481 1.439 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.018 3.447 6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.557 1.752 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.736 3.067 7.100 1.00 0.00 H new ATOM 1007 N GLN A 69 14.916 -0.087 2.518 1.00 0.00 N ATOM 1008 CA GLN A 69 16.187 -0.762 2.251 1.00 0.00 C ATOM 1009 C GLN A 69 17.091 0.133 1.410 1.00 0.00 C ATOM 1010 O GLN A 69 18.300 0.197 1.633 1.00 0.00 O ATOM 1011 CB GLN A 69 15.967 -2.103 1.546 1.00 0.00 C ATOM 1012 CG GLN A 69 15.459 -3.200 2.468 1.00 0.00 C ATOM 1013 CD GLN A 69 15.418 -4.559 1.794 1.00 0.00 C ATOM 1014 OE1 GLN A 69 14.255 -5.199 1.817 1.00 0.00 O flip ATOM 1015 NE2 GLN A 69 16.424 -5.032 1.266 1.00 0.00 N flip ATOM 0 H GLN A 69 14.085 -0.648 2.330 1.00 0.00 H new ATOM 0 HA GLN A 69 16.670 -0.960 3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.254 -1.964 0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.906 -2.425 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.100 -3.255 3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.459 -2.942 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.298 -4.506 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.384 -5.950 0.823 1.00 0.00 H new ATOM 1024 N SER A 70 16.490 0.837 0.458 1.00 0.00 N ATOM 1025 CA SER A 70 17.232 1.752 -0.401 1.00 0.00 C ATOM 1026 C SER A 70 17.642 2.992 0.388 1.00 0.00 C ATOM 1027 O SER A 70 18.738 3.525 0.210 1.00 0.00 O ATOM 1028 CB SER A 70 16.384 2.152 -1.610 1.00 0.00 C ATOM 1029 OG SER A 70 15.190 2.800 -1.205 1.00 0.00 O ATOM 0 H SER A 70 15.490 0.792 0.261 1.00 0.00 H new ATOM 0 HA SER A 70 18.130 1.247 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.959 2.814 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.140 1.266 -2.196 1.00 0.00 H new ATOM 0 HG SER A 70 14.617 2.163 -0.729 1.00 0.00 H new ATOM 1035 N GLN A 71 16.747 3.440 1.267 1.00 0.00 N ATOM 1036 CA GLN A 71 16.990 4.613 2.102 1.00 0.00 C ATOM 1037 C GLN A 71 18.168 4.385 3.046 1.00 0.00 C ATOM 1038 O GLN A 71 18.631 5.312 3.712 1.00 0.00 O ATOM 1039 CB GLN A 71 15.743 4.939 2.920 1.00 0.00 C ATOM 1040 CG GLN A 71 14.509 5.176 2.072 1.00 0.00 C ATOM 1041 CD GLN A 71 14.607 6.430 1.229 1.00 0.00 C ATOM 1042 OE1 GLN A 71 14.818 7.526 1.746 1.00 0.00 O ATOM 1043 NE2 GLN A 71 14.445 6.273 -0.079 1.00 0.00 N ATOM 0 H GLN A 71 15.838 3.002 1.419 1.00 0.00 H new ATOM 0 HA GLN A 71 17.229 5.448 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.547 4.119 3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.935 5.826 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.352 4.317 1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.636 5.248 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.272 5.344 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.494 7.081 -0.700 1.00 0.00 H new ATOM 1270 N GLN B 5 2.521 -11.383 2.425 1.00 0.00 N ATOM 1271 CA GLN B 5 2.404 -9.930 2.468 1.00 0.00 C ATOM 1272 C GLN B 5 1.144 -9.474 1.737 1.00 0.00 C ATOM 1273 O GLN B 5 0.936 -9.813 0.572 1.00 0.00 O ATOM 1274 CB GLN B 5 3.647 -9.287 1.850 1.00 0.00 C ATOM 1275 CG GLN B 5 3.909 -9.717 0.414 1.00 0.00 C ATOM 1276 CD GLN B 5 5.267 -9.272 -0.103 1.00 0.00 C ATOM 1277 OE1 GLN B 5 6.082 -8.688 0.772 1.00 0.00 O flip ATOM 1278 NE2 GLN B 5 5.586 -9.465 -1.275 1.00 0.00 N flip ATOM 0 HA GLN B 5 2.327 -9.614 3.508 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.538 -8.203 1.881 1.00 0.00 H new ATOM 0 HB3 GLN B 5 4.516 -9.537 2.459 1.00 0.00 H new ATOM 0 HG2 GLN B 5 3.840 -10.803 0.348 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.130 -9.308 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN B 5 4.931 -9.916 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN B 5 6.505 -9.174 -1.608 1.00 0.00 H new ATOM 1287 N THR B 6 0.303 -8.709 2.430 1.00 0.00 N ATOM 1288 CA THR B 6 -0.945 -8.217 1.849 1.00 0.00 C ATOM 1289 C THR B 6 -1.386 -6.916 2.504 1.00 0.00 C ATOM 1290 O THR B 6 -1.534 -6.849 3.720 1.00 0.00 O ATOM 1291 CB THR B 6 -2.088 -9.237 2.016 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.272 -9.535 3.405 1.00 0.00 O ATOM 1293 CG2 THR B 6 -1.802 -10.521 1.259 1.00 0.00 C ATOM 0 H THR B 6 0.463 -8.416 3.394 1.00 0.00 H new ATOM 0 HA THR B 6 -0.744 -8.055 0.790 1.00 0.00 H new ATOM 0 HB THR B 6 -2.995 -8.793 1.606 1.00 0.00 H new ATOM 0 HG1 THR B 6 -1.946 -8.786 3.946 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.629 -11.218 1.399 1.00 0.00 H new ATOM 0 HG22 THR B 6 -1.689 -10.300 0.198 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.883 -10.969 1.636 1.00 0.00 H new ATOM 1301 N ALA B 7 -1.625 -5.895 1.692 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.081 -4.611 2.206 1.00 0.00 C ATOM 1303 C ALA B 7 -3.535 -4.373 1.816 1.00 0.00 C ATOM 1304 O ALA B 7 -3.892 -4.444 0.639 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.192 -3.483 1.701 1.00 0.00 C ATOM 0 H ALA B 7 -1.511 -5.930 0.679 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.015 -4.629 3.294 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.550 -2.533 2.097 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.167 -3.651 2.032 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.221 -3.457 0.612 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.374 -4.106 2.811 1.00 0.00 N ATOM 1312 CA ARG B 8 -5.794 -3.874 2.573 1.00 0.00 C ATOM 1313 C ARG B 8 -6.016 -2.687 1.644 1.00 0.00 C ATOM 1314 O ARG B 8 -5.389 -1.639 1.796 1.00 0.00 O ATOM 1315 CB ARG B 8 -6.520 -3.645 3.896 1.00 0.00 C ATOM 1316 CG ARG B 8 -6.445 -4.834 4.838 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.037 -4.503 6.198 1.00 0.00 C ATOM 1318 NE ARG B 8 -6.947 -5.627 7.126 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.367 -5.577 8.386 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -7.898 -4.462 8.868 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.253 -6.643 9.166 1.00 0.00 N ATOM 0 H ARG B 8 -4.095 -4.045 3.790 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.200 -4.762 2.088 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.093 -2.772 4.390 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.566 -3.417 3.693 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.979 -5.679 4.403 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.406 -5.141 4.957 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.516 -3.643 6.620 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.082 -4.216 6.078 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.539 -6.499 6.788 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.985 -3.639 8.271 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.219 -4.427 9.835 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.843 -7.502 8.799 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.575 -6.604 10.133 1.00 0.00 H new