USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= 0.00343 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Set 2.1: A 30 MET CE :methyl 174:sc= -0.687 (180deg=-1.19) USER MOD Set 2.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.779 USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= 0.0366 (180deg=0) USER MOD Single : A 32 SER OG : rot 170:sc= -0.151 USER MOD Single : A 33 SER OG : rot 25:sc= 0.129 USER MOD Single : A 37 GLN : amide:sc= -0.807 K(o=-0.81,f=-2.4!) USER MOD Single : A 43 SER OG : rot 84:sc= 1.06 USER MOD Single : A 44 MET CE :methyl 157:sc= -0.547 (180deg=-0.604) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 46 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.58) USER MOD Single : A 51 ASN : amide:sc= -0.167 K(o=-0.17,f=-4.1!) USER MOD Single : A 54 THR OG1 : rot 65:sc= -0.691 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 0.237 (180deg=-2.97!) USER MOD Single : A 59 SER OG : rot -28:sc= 0.205 USER MOD Single : A 62 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -134:sc= -0.166 (180deg=-0.992) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -172:sc= -2.71 (180deg=-2.86!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.801 -2.201 -5.508 1.00 0.00 N ATOM 191 CA THR A 16 -10.711 -1.217 -4.935 1.00 0.00 C ATOM 192 C THR A 16 -11.487 -1.803 -3.761 1.00 0.00 C ATOM 193 O THR A 16 -12.426 -2.576 -3.950 1.00 0.00 O ATOM 194 CB THR A 16 -11.709 -0.696 -5.987 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.448 -1.789 -6.545 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.986 0.053 -7.096 1.00 0.00 C ATOM 0 HA THR A 16 -10.098 -0.387 -4.583 1.00 0.00 H new ATOM 0 HB THR A 16 -12.396 -0.008 -5.494 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.683 -2.422 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.712 0.411 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.449 0.902 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.278 -0.616 -7.586 1.00 0.00 H new ATOM 204 N ILE A 17 -11.089 -1.430 -2.550 1.00 0.00 N ATOM 205 CA ILE A 17 -11.748 -1.918 -1.345 1.00 0.00 C ATOM 206 C ILE A 17 -11.988 -0.785 -0.353 1.00 0.00 C ATOM 207 O ILE A 17 -11.051 -0.107 0.069 1.00 0.00 O ATOM 208 CB ILE A 17 -10.922 -3.021 -0.658 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.710 -4.198 -1.612 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.612 -3.483 0.617 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.680 -5.194 -1.124 1.00 0.00 C ATOM 0 H ILE A 17 -10.313 -0.791 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.706 -2.335 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.947 -2.613 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.660 -4.712 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.401 -3.816 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.016 -4.263 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.716 -2.640 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.599 -3.878 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.582 -6.001 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.719 -4.694 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.997 -5.605 -0.165 1.00 0.00 H new ATOM 223 N ILE A 18 -13.249 -0.588 0.018 1.00 0.00 N ATOM 224 CA ILE A 18 -13.612 0.460 0.963 1.00 0.00 C ATOM 225 C ILE A 18 -13.737 -0.095 2.378 1.00 0.00 C ATOM 226 O ILE A 18 -14.337 -1.149 2.592 1.00 0.00 O ATOM 227 CB ILE A 18 -14.937 1.139 0.571 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.800 1.827 -0.789 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.356 2.140 1.637 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.731 2.897 -0.819 1.00 0.00 C ATOM 0 H ILE A 18 -14.036 -1.141 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.812 1.200 0.935 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.710 0.375 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.573 1.076 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.757 2.273 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.294 2.611 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.490 1.624 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.585 2.903 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.689 3.342 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.967 3.668 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.765 2.453 -0.580 1.00 0.00 H new ATOM 242 N LEU A 19 -13.170 0.622 3.341 1.00 0.00 N ATOM 243 CA LEU A 19 -13.219 0.203 4.738 1.00 0.00 C ATOM 244 C LEU A 19 -14.251 1.015 5.514 1.00 0.00 C ATOM 245 O LEU A 19 -14.337 2.237 5.389 1.00 0.00 O ATOM 246 CB LEU A 19 -11.842 0.354 5.386 1.00 0.00 C ATOM 247 CG LEU A 19 -11.553 -0.567 6.571 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.488 -2.017 6.116 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.256 -0.163 7.257 1.00 0.00 C ATOM 0 H LEU A 19 -12.671 1.497 3.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.513 -0.846 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.083 0.181 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.730 1.386 5.718 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.367 -0.469 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.281 -2.658 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.441 -2.302 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.694 -2.131 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.066 -0.830 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.432 -0.232 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.339 0.862 7.618 1.00 0.00 H new ATOM 261 N PRO A 20 -15.053 0.322 6.336 1.00 0.00 N ATOM 262 CA PRO A 20 -16.091 0.959 7.151 1.00 0.00 C ATOM 263 C PRO A 20 -15.507 1.807 8.276 1.00 0.00 C ATOM 264 O PRO A 20 -14.289 1.922 8.410 1.00 0.00 O ATOM 265 CB PRO A 20 -16.869 -0.227 7.725 1.00 0.00 C ATOM 266 CG PRO A 20 -15.894 -1.354 7.728 1.00 0.00 C ATOM 267 CD PRO A 20 -15.007 -1.136 6.534 1.00 0.00 C ATOM 0 HA PRO A 20 -16.703 1.646 6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.231 -0.014 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.742 -0.460 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.312 -1.365 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.407 -2.314 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.991 -1.484 6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.373 -1.672 5.658 1.00 0.00 H new ATOM 275 N GLU A 21 -16.383 2.399 9.082 1.00 0.00 N ATOM 276 CA GLU A 21 -15.952 3.237 10.195 1.00 0.00 C ATOM 277 C GLU A 21 -15.810 2.414 11.472 1.00 0.00 C ATOM 278 O GLU A 21 -15.786 2.960 12.575 1.00 0.00 O ATOM 279 CB GLU A 21 -16.947 4.378 10.418 1.00 0.00 C ATOM 280 CG GLU A 21 -18.347 3.904 10.770 1.00 0.00 C ATOM 281 CD GLU A 21 -19.268 5.045 11.158 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.953 5.756 12.134 1.00 0.00 O ATOM 283 OE2 GLU A 21 -20.305 5.225 10.485 1.00 0.00 O ATOM 0 H GLU A 21 -17.395 2.314 8.985 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.978 3.658 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.578 5.020 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.995 4.988 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.772 3.373 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.289 3.192 11.593 1.00 0.00 H new ATOM 290 N ASP A 22 -15.716 1.098 11.313 1.00 0.00 N ATOM 291 CA ASP A 22 -15.576 0.199 12.453 1.00 0.00 C ATOM 292 C ASP A 22 -14.145 -0.318 12.564 1.00 0.00 C ATOM 293 O ASP A 22 -13.766 -0.911 13.574 1.00 0.00 O ATOM 294 CB ASP A 22 -16.548 -0.975 12.326 1.00 0.00 C ATOM 295 CG ASP A 22 -17.907 -0.669 12.922 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.953 -0.124 14.045 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.926 -0.976 12.267 1.00 0.00 O ATOM 0 H ASP A 22 -15.734 0.631 10.407 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.812 0.759 13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.666 -1.233 11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.125 -1.848 12.823 1.00 0.00 H new ATOM 302 N ILE A 23 -13.357 -0.091 11.519 1.00 0.00 N ATOM 303 CA ILE A 23 -11.968 -0.534 11.500 1.00 0.00 C ATOM 304 C ILE A 23 -11.025 0.596 11.901 1.00 0.00 C ATOM 305 O ILE A 23 -11.255 1.757 11.567 1.00 0.00 O ATOM 306 CB ILE A 23 -11.563 -1.056 10.109 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.775 -1.654 9.392 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.452 -2.087 10.233 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.608 -2.563 10.269 1.00 0.00 C ATOM 0 H ILE A 23 -13.656 0.397 10.675 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.886 -1.346 12.222 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.191 -0.220 9.517 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.404 -0.844 9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.432 -2.215 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.177 -2.446 9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.583 -1.631 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.798 -2.924 10.839 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.450 -2.951 9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.994 -3.393 10.619 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.981 -2.001 11.125 1.00 0.00 H new ATOM 321 N GLU A 24 -9.962 0.245 12.619 1.00 0.00 N ATOM 322 CA GLU A 24 -8.984 1.230 13.065 1.00 0.00 C ATOM 323 C GLU A 24 -7.749 1.214 12.169 1.00 0.00 C ATOM 324 O GLU A 24 -6.992 0.242 12.153 1.00 0.00 O ATOM 325 CB GLU A 24 -8.579 0.959 14.515 1.00 0.00 C ATOM 326 CG GLU A 24 -7.328 1.705 14.947 1.00 0.00 C ATOM 327 CD GLU A 24 -6.849 1.291 16.325 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.864 0.077 16.620 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.458 2.181 17.109 1.00 0.00 O ATOM 0 H GLU A 24 -9.757 -0.713 12.904 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.445 2.216 13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.403 1.238 15.172 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.417 -0.111 14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.534 1.526 14.222 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.529 2.776 14.943 1.00 0.00 H new ATOM 336 N LEU A 25 -7.551 2.296 11.425 1.00 0.00 N ATOM 337 CA LEU A 25 -6.408 2.407 10.525 1.00 0.00 C ATOM 338 C LEU A 25 -5.169 2.888 11.275 1.00 0.00 C ATOM 339 O LEU A 25 -5.120 4.022 11.752 1.00 0.00 O ATOM 340 CB LEU A 25 -6.728 3.367 9.378 1.00 0.00 C ATOM 341 CG LEU A 25 -7.638 2.819 8.278 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.103 3.940 7.362 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.921 1.739 7.482 1.00 0.00 C ATOM 0 H LEU A 25 -8.167 3.109 11.427 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.202 1.418 10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.194 4.259 9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.789 3.682 8.922 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.516 2.374 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.749 3.531 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.656 4.679 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.238 4.415 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.583 1.360 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.025 2.159 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.640 0.923 8.147 1.00 0.00 H new ATOM 355 N LYS A 26 -4.169 2.019 11.374 1.00 0.00 N ATOM 356 CA LYS A 26 -2.928 2.355 12.062 1.00 0.00 C ATOM 357 C LYS A 26 -1.886 2.878 11.080 1.00 0.00 C ATOM 358 O LYS A 26 -1.780 2.415 9.944 1.00 0.00 O ATOM 359 CB LYS A 26 -2.382 1.130 12.798 1.00 0.00 C ATOM 360 CG LYS A 26 -3.217 0.718 13.998 1.00 0.00 C ATOM 361 CD LYS A 26 -3.141 -0.779 14.244 1.00 0.00 C ATOM 362 CE LYS A 26 -4.231 -1.524 13.489 1.00 0.00 C ATOM 363 NZ LYS A 26 -5.477 -1.650 14.295 1.00 0.00 N ATOM 0 H LYS A 26 -4.194 1.076 10.986 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.144 3.140 12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.325 0.294 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.365 1.339 13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.871 1.251 14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.255 1.009 13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.164 -1.150 13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.235 -0.979 15.311 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.452 -1.000 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.872 -2.517 13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.738 -2.653 14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.318 -1.255 15.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.247 -1.129 13.828 1.00 0.00 H new ATOM 377 N PRO A 27 -1.094 3.865 11.525 1.00 0.00 N ATOM 378 CA PRO A 27 -0.044 4.471 10.701 1.00 0.00 C ATOM 379 C PRO A 27 1.120 3.518 10.452 1.00 0.00 C ATOM 380 O PRO A 27 1.855 3.165 11.376 1.00 0.00 O ATOM 381 CB PRO A 27 0.415 5.669 11.535 1.00 0.00 C ATOM 382 CG PRO A 27 0.085 5.301 12.940 1.00 0.00 C ATOM 383 CD PRO A 27 -1.164 4.466 12.867 1.00 0.00 C ATOM 0 HA PRO A 27 -0.409 4.739 9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.483 5.850 11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.099 6.582 11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.901 4.743 13.399 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.075 6.191 13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.185 3.705 13.647 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.061 5.073 12.989 1.00 0.00 H new ATOM 391 N LEU A 28 1.283 3.104 9.201 1.00 0.00 N ATOM 392 CA LEU A 28 2.359 2.191 8.831 1.00 0.00 C ATOM 393 C LEU A 28 3.613 2.961 8.431 1.00 0.00 C ATOM 394 O LEU A 28 4.730 2.560 8.755 1.00 0.00 O ATOM 395 CB LEU A 28 1.914 1.286 7.680 1.00 0.00 C ATOM 396 CG LEU A 28 3.018 0.809 6.736 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.573 -0.432 5.978 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.406 1.917 5.767 1.00 0.00 C ATOM 0 H LEU A 28 0.684 3.386 8.425 1.00 0.00 H new ATOM 0 HA LEU A 28 2.594 1.575 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.421 0.410 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.167 1.820 7.093 1.00 0.00 H new ATOM 0 HG LEU A 28 3.893 0.551 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.372 -0.757 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.345 -1.229 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.683 -0.201 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.193 1.560 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.536 2.206 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.767 2.780 6.327 1.00 0.00 H new ATOM 410 N GLY A 29 3.420 4.072 7.727 1.00 0.00 N ATOM 411 CA GLY A 29 4.544 4.883 7.296 1.00 0.00 C ATOM 412 C GLY A 29 4.142 5.949 6.297 1.00 0.00 C ATOM 413 O GLY A 29 2.965 6.081 5.961 1.00 0.00 O ATOM 0 H GLY A 29 2.505 4.425 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.000 5.358 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.302 4.239 6.850 1.00 0.00 H new ATOM 417 N MET A 30 5.121 6.712 5.821 1.00 0.00 N ATOM 418 CA MET A 30 4.861 7.772 4.854 1.00 0.00 C ATOM 419 C MET A 30 5.668 7.553 3.578 1.00 0.00 C ATOM 420 O MET A 30 6.817 7.113 3.626 1.00 0.00 O ATOM 421 CB MET A 30 5.200 9.136 5.458 1.00 0.00 C ATOM 422 CG MET A 30 4.472 10.293 4.793 1.00 0.00 C ATOM 423 SD MET A 30 4.851 11.883 5.555 1.00 0.00 S ATOM 424 CE MET A 30 6.515 11.586 6.148 1.00 0.00 C ATOM 0 H MET A 30 6.100 6.616 6.089 1.00 0.00 H new ATOM 0 HA MET A 30 3.801 7.748 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.954 9.125 6.520 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.275 9.301 5.381 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.741 10.327 3.737 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.397 10.118 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.929 12.511 6.550 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.492 10.828 6.931 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.138 11.238 5.324 1.00 0.00 H new ATOM 434 N VAL A 31 5.059 7.864 2.438 1.00 0.00 N ATOM 435 CA VAL A 31 5.721 7.702 1.149 1.00 0.00 C ATOM 436 C VAL A 31 7.114 8.322 1.165 1.00 0.00 C ATOM 437 O VAL A 31 7.268 9.521 1.394 1.00 0.00 O ATOM 438 CB VAL A 31 4.900 8.339 0.012 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.621 8.185 -1.318 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.511 7.723 -0.051 1.00 0.00 C ATOM 0 H VAL A 31 4.108 8.229 2.381 1.00 0.00 H new ATOM 0 HA VAL A 31 5.806 6.630 0.969 1.00 0.00 H new ATOM 0 HB VAL A 31 4.791 9.404 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.026 8.641 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.592 8.677 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.762 7.126 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.945 8.185 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.596 6.652 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.995 7.891 0.895 1.00 0.00 H new ATOM 450 N SER A 32 8.126 7.496 0.919 1.00 0.00 N ATOM 451 CA SER A 32 9.508 7.963 0.908 1.00 0.00 C ATOM 452 C SER A 32 10.012 8.135 -0.522 1.00 0.00 C ATOM 453 O SER A 32 10.680 9.118 -0.842 1.00 0.00 O ATOM 454 CB SER A 32 10.406 6.981 1.662 1.00 0.00 C ATOM 455 OG SER A 32 9.936 5.651 1.525 1.00 0.00 O ATOM 0 H SER A 32 8.015 6.501 0.725 1.00 0.00 H new ATOM 0 HA SER A 32 9.542 8.932 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.425 7.051 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.440 7.251 2.717 1.00 0.00 H new ATOM 0 HG SER A 32 10.608 5.029 1.875 1.00 0.00 H new ATOM 461 N SER A 33 9.685 7.172 -1.378 1.00 0.00 N ATOM 462 CA SER A 33 10.108 7.213 -2.773 1.00 0.00 C ATOM 463 C SER A 33 9.066 6.559 -3.675 1.00 0.00 C ATOM 464 O SER A 33 8.105 5.957 -3.196 1.00 0.00 O ATOM 465 CB SER A 33 11.457 6.512 -2.941 1.00 0.00 C ATOM 466 OG SER A 33 12.529 7.394 -2.655 1.00 0.00 O ATOM 0 H SER A 33 9.129 6.354 -1.130 1.00 0.00 H new ATOM 0 HA SER A 33 10.212 8.258 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.506 5.648 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.552 6.138 -3.960 1.00 0.00 H new ATOM 0 HG SER A 33 12.218 8.103 -2.054 1.00 0.00 H new ATOM 472 N ILE A 34 9.265 6.682 -4.983 1.00 0.00 N ATOM 473 CA ILE A 34 8.344 6.102 -5.953 1.00 0.00 C ATOM 474 C ILE A 34 9.099 5.391 -7.071 1.00 0.00 C ATOM 475 O ILE A 34 9.980 5.972 -7.705 1.00 0.00 O ATOM 476 CB ILE A 34 7.427 7.175 -6.570 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.361 7.608 -5.561 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.778 6.649 -7.842 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.794 8.760 -4.682 1.00 0.00 C ATOM 0 H ILE A 34 10.055 7.178 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 34 7.732 5.379 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 34 8.032 8.045 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.457 7.892 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.102 6.757 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.133 7.418 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.552 6.386 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.184 5.766 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.989 9.013 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.680 8.473 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.025 9.625 -5.304 1.00 0.00 H new ATOM 491 N ILE A 35 8.746 4.132 -7.308 1.00 0.00 N ATOM 492 CA ILE A 35 9.389 3.343 -8.352 1.00 0.00 C ATOM 493 C ILE A 35 8.708 3.556 -9.699 1.00 0.00 C ATOM 494 O ILE A 35 7.543 3.947 -9.762 1.00 0.00 O ATOM 495 CB ILE A 35 9.372 1.841 -8.012 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.275 1.558 -6.809 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.812 1.021 -9.216 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.116 0.162 -6.250 1.00 0.00 C ATOM 0 H ILE A 35 8.019 3.637 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 35 10.423 3.682 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 35 8.353 1.553 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.314 1.707 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.058 2.282 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.795 -0.038 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.133 1.204 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.824 1.309 -9.502 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.786 0.032 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.086 0.015 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.362 -0.569 -7.021 1.00 0.00 H new ATOM 510 N GLU A 36 9.442 3.293 -10.776 1.00 0.00 N ATOM 511 CA GLU A 36 8.908 3.455 -12.123 1.00 0.00 C ATOM 512 C GLU A 36 7.419 3.125 -12.160 1.00 0.00 C ATOM 513 O GLU A 36 6.604 3.936 -12.600 1.00 0.00 O ATOM 514 CB GLU A 36 9.665 2.560 -13.106 1.00 0.00 C ATOM 515 CG GLU A 36 11.149 2.873 -13.197 1.00 0.00 C ATOM 516 CD GLU A 36 11.453 3.972 -14.196 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.061 5.130 -13.942 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.083 3.674 -15.232 1.00 0.00 O ATOM 0 H GLU A 36 10.408 2.967 -10.742 1.00 0.00 H new ATOM 0 HA GLU A 36 9.039 4.497 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.540 1.519 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.219 2.663 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.515 3.169 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.690 1.970 -13.480 1.00 0.00 H new ATOM 525 N GLN A 37 7.071 1.929 -11.697 1.00 0.00 N ATOM 526 CA GLN A 37 5.681 1.491 -11.679 1.00 0.00 C ATOM 527 C GLN A 37 5.172 1.354 -10.248 1.00 0.00 C ATOM 528 O GLN A 37 4.021 1.681 -9.953 1.00 0.00 O ATOM 529 CB GLN A 37 5.534 0.158 -12.414 1.00 0.00 C ATOM 530 CG GLN A 37 6.778 -0.713 -12.349 1.00 0.00 C ATOM 531 CD GLN A 37 7.730 -0.460 -13.501 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.347 0.112 -14.523 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.978 -0.884 -13.343 1.00 0.00 N ATOM 0 H GLN A 37 7.733 1.246 -11.329 1.00 0.00 H new ATOM 0 HA GLN A 37 5.082 2.246 -12.188 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.694 -0.391 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.292 0.353 -13.459 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.296 -0.530 -11.408 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.482 -1.762 -12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.252 -1.353 -12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.663 -0.741 -14.085 1.00 0.00 H new ATOM 542 N LEU A 38 6.035 0.870 -9.362 1.00 0.00 N ATOM 543 CA LEU A 38 5.672 0.689 -7.960 1.00 0.00 C ATOM 544 C LEU A 38 6.008 1.935 -7.147 1.00 0.00 C ATOM 545 O LEU A 38 6.601 2.883 -7.660 1.00 0.00 O ATOM 546 CB LEU A 38 6.398 -0.525 -7.378 1.00 0.00 C ATOM 547 CG LEU A 38 6.315 -1.813 -8.198 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.021 -1.856 -8.996 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.518 -1.935 -9.122 1.00 0.00 C ATOM 0 H LEU A 38 6.991 0.596 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 38 4.596 0.521 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.449 -0.267 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.994 -0.723 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 38 6.322 -2.659 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.980 -2.780 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.172 -1.816 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.983 -1.003 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.442 -2.857 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.542 -1.084 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.432 -1.952 -8.529 1.00 0.00 H new ATOM 561 N VAL A 39 5.626 1.924 -5.873 1.00 0.00 N ATOM 562 CA VAL A 39 5.889 3.051 -4.987 1.00 0.00 C ATOM 563 C VAL A 39 6.576 2.594 -3.705 1.00 0.00 C ATOM 564 O VAL A 39 6.296 1.510 -3.192 1.00 0.00 O ATOM 565 CB VAL A 39 4.590 3.794 -4.623 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.841 4.791 -3.501 1.00 0.00 C ATOM 567 CG2 VAL A 39 4.014 4.491 -5.847 1.00 0.00 C ATOM 0 H VAL A 39 5.134 1.147 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 39 6.549 3.730 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 39 3.861 3.064 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.912 5.306 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.205 4.263 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.586 5.519 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.096 5.011 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.738 5.210 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.795 3.752 -6.617 1.00 0.00 H new ATOM 577 N ILE A 40 7.476 3.427 -3.193 1.00 0.00 N ATOM 578 CA ILE A 40 8.202 3.108 -1.970 1.00 0.00 C ATOM 579 C ILE A 40 7.635 3.874 -0.779 1.00 0.00 C ATOM 580 O ILE A 40 7.401 5.080 -0.858 1.00 0.00 O ATOM 581 CB ILE A 40 9.702 3.429 -2.105 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.283 2.742 -3.343 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.451 2.998 -0.853 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.273 1.232 -3.257 1.00 0.00 C ATOM 0 H ILE A 40 7.720 4.327 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 40 8.082 2.038 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 40 9.819 4.506 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.715 3.052 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.308 3.083 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.510 3.232 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.051 3.529 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.330 1.925 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.699 0.813 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.865 0.912 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.248 0.881 -3.141 1.00 0.00 H new ATOM 596 N ILE A 41 7.419 3.165 0.324 1.00 0.00 N ATOM 597 CA ILE A 41 6.883 3.779 1.533 1.00 0.00 C ATOM 598 C ILE A 41 7.798 3.533 2.727 1.00 0.00 C ATOM 599 O ILE A 41 8.186 2.397 3.000 1.00 0.00 O ATOM 600 CB ILE A 41 5.476 3.244 1.859 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.515 3.535 0.705 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.962 3.860 3.152 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.368 2.554 0.612 1.00 0.00 C ATOM 0 H ILE A 41 7.607 2.166 0.406 1.00 0.00 H new ATOM 0 HA ILE A 41 6.820 4.850 1.342 1.00 0.00 H new ATOM 0 HB ILE A 41 5.536 2.164 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.113 4.541 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.071 3.521 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.967 3.472 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.637 3.606 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.914 4.944 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.728 2.822 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.761 1.548 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.788 2.584 1.534 1.00 0.00 H new ATOM 615 N GLU A 42 8.138 4.604 3.436 1.00 0.00 N ATOM 616 CA GLU A 42 9.007 4.503 4.603 1.00 0.00 C ATOM 617 C GLU A 42 8.188 4.342 5.880 1.00 0.00 C ATOM 618 O GLU A 42 7.272 5.121 6.145 1.00 0.00 O ATOM 619 CB GLU A 42 9.900 5.742 4.710 1.00 0.00 C ATOM 620 CG GLU A 42 10.582 5.885 6.060 1.00 0.00 C ATOM 621 CD GLU A 42 11.222 7.247 6.248 1.00 0.00 C ATOM 622 OE1 GLU A 42 12.217 7.537 5.551 1.00 0.00 O ATOM 623 OE2 GLU A 42 10.728 8.022 7.093 1.00 0.00 O ATOM 0 H GLU A 42 7.825 5.551 3.223 1.00 0.00 H new ATOM 0 HA GLU A 42 9.634 3.620 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.661 5.700 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.298 6.631 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.851 5.718 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.344 5.112 6.162 1.00 0.00 H new ATOM 630 N SER A 43 8.524 3.325 6.667 1.00 0.00 N ATOM 631 CA SER A 43 7.817 3.057 7.913 1.00 0.00 C ATOM 632 C SER A 43 8.281 4.005 9.015 1.00 0.00 C ATOM 633 O SER A 43 9.191 4.808 8.815 1.00 0.00 O ATOM 634 CB SER A 43 8.036 1.606 8.347 1.00 0.00 C ATOM 635 OG SER A 43 7.868 0.717 7.257 1.00 0.00 O ATOM 0 H SER A 43 9.282 2.673 6.463 1.00 0.00 H new ATOM 0 HA SER A 43 6.753 3.220 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.038 1.494 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.334 1.350 9.140 1.00 0.00 H new ATOM 0 HG SER A 43 8.704 0.661 6.748 1.00 0.00 H new ATOM 641 N MET A 44 7.648 3.904 10.179 1.00 0.00 N ATOM 642 CA MET A 44 7.996 4.751 11.314 1.00 0.00 C ATOM 643 C MET A 44 8.364 3.907 12.530 1.00 0.00 C ATOM 644 O MET A 44 9.532 3.825 12.912 1.00 0.00 O ATOM 645 CB MET A 44 6.832 5.683 11.659 1.00 0.00 C ATOM 646 CG MET A 44 5.965 6.040 10.462 1.00 0.00 C ATOM 647 SD MET A 44 5.217 7.674 10.611 1.00 0.00 S ATOM 648 CE MET A 44 5.590 8.364 9.000 1.00 0.00 C ATOM 0 H MET A 44 6.892 3.244 10.361 1.00 0.00 H new ATOM 0 HA MET A 44 8.862 5.351 11.035 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.211 5.209 12.419 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.228 6.599 12.097 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.570 6.002 9.556 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.179 5.293 10.352 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.882 9.162 8.773 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.603 8.767 9.002 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.512 7.584 8.243 1.00 0.00 H new ATOM 658 N THR A 45 7.360 3.280 13.136 1.00 0.00 N ATOM 659 CA THR A 45 7.579 2.444 14.309 1.00 0.00 C ATOM 660 C THR A 45 6.284 1.775 14.756 1.00 0.00 C ATOM 661 O THR A 45 5.207 2.084 14.248 1.00 0.00 O ATOM 662 CB THR A 45 8.153 3.260 15.482 1.00 0.00 C ATOM 663 OG1 THR A 45 8.396 2.403 16.603 1.00 0.00 O ATOM 664 CG2 THR A 45 7.197 4.372 15.887 1.00 0.00 C ATOM 0 H THR A 45 6.388 3.336 12.833 1.00 0.00 H new ATOM 0 HA THR A 45 8.300 1.679 14.022 1.00 0.00 H new ATOM 0 HB THR A 45 9.092 3.709 15.158 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.763 2.929 17.344 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.624 4.935 16.717 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.036 5.040 15.041 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.245 3.939 16.194 1.00 0.00 H new ATOM 672 N ASN A 46 6.396 0.856 15.710 1.00 0.00 N ATOM 673 CA ASN A 46 5.233 0.143 16.225 1.00 0.00 C ATOM 674 C ASN A 46 4.459 -0.525 15.093 1.00 0.00 C ATOM 675 O ASN A 46 3.235 -0.650 15.152 1.00 0.00 O ATOM 676 CB ASN A 46 4.317 1.103 16.987 1.00 0.00 C ATOM 677 CG ASN A 46 3.201 0.380 17.717 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.023 0.676 17.520 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.569 -0.573 18.565 1.00 0.00 N ATOM 0 H ASN A 46 7.280 0.588 16.142 1.00 0.00 H new ATOM 0 HA ASN A 46 5.585 -0.631 16.907 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.908 1.672 17.705 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.886 1.821 16.289 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.863 -1.094 19.085 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.558 -0.785 18.697 1.00 0.00 H new ATOM 686 N LEU A 47 5.180 -0.954 14.063 1.00 0.00 N ATOM 687 CA LEU A 47 4.562 -1.611 12.917 1.00 0.00 C ATOM 688 C LEU A 47 4.384 -3.104 13.175 1.00 0.00 C ATOM 689 O LEU A 47 5.318 -3.809 13.557 1.00 0.00 O ATOM 690 CB LEU A 47 5.411 -1.397 11.662 1.00 0.00 C ATOM 691 CG LEU A 47 5.082 -0.155 10.834 1.00 0.00 C ATOM 692 CD1 LEU A 47 5.905 1.034 11.304 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.323 -0.421 9.355 1.00 0.00 C ATOM 0 H LEU A 47 6.193 -0.859 13.998 1.00 0.00 H new ATOM 0 HA LEU A 47 3.578 -1.168 12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.458 -1.343 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.306 -2.274 11.023 1.00 0.00 H new ATOM 0 HG LEU A 47 4.027 0.082 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.657 1.909 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.683 1.239 12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.966 0.808 11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.084 0.474 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.369 -0.684 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.689 -1.244 9.025 1.00 0.00 H new ATOM 705 N PRO A 48 3.156 -3.599 12.961 1.00 0.00 N ATOM 706 CA PRO A 48 2.827 -5.014 13.162 1.00 0.00 C ATOM 707 C PRO A 48 3.479 -5.914 12.118 1.00 0.00 C ATOM 708 O PRO A 48 3.828 -5.480 11.021 1.00 0.00 O ATOM 709 CB PRO A 48 1.303 -5.047 13.020 1.00 0.00 C ATOM 710 CG PRO A 48 0.976 -3.870 12.167 1.00 0.00 C ATOM 711 CD PRO A 48 1.994 -2.817 12.506 1.00 0.00 C ATOM 0 HA PRO A 48 3.187 -5.384 14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.969 -5.976 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.813 -4.980 13.992 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.021 -4.130 11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.035 -3.514 12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.238 -2.201 11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.633 -2.145 13.284 1.00 0.00 H new ATOM 719 N PRO A 49 3.646 -7.199 12.466 1.00 0.00 N ATOM 720 CA PRO A 49 4.256 -8.188 11.572 1.00 0.00 C ATOM 721 C PRO A 49 3.362 -8.524 10.383 1.00 0.00 C ATOM 722 O PRO A 49 2.677 -9.547 10.379 1.00 0.00 O ATOM 723 CB PRO A 49 4.436 -9.414 12.470 1.00 0.00 C ATOM 724 CG PRO A 49 3.399 -9.264 13.529 1.00 0.00 C ATOM 725 CD PRO A 49 3.253 -7.785 13.758 1.00 0.00 C ATOM 0 HA PRO A 49 5.185 -7.824 11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.298 -10.339 11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.438 -9.447 12.899 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.453 -9.706 13.215 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.700 -9.773 14.445 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.230 -7.519 14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.895 -7.439 14.568 1.00 0.00 H new ATOM 733 N VAL A 50 3.373 -7.657 9.376 1.00 0.00 N ATOM 734 CA VAL A 50 2.564 -7.863 8.181 1.00 0.00 C ATOM 735 C VAL A 50 3.418 -8.357 7.018 1.00 0.00 C ATOM 736 O VAL A 50 4.557 -7.927 6.845 1.00 0.00 O ATOM 737 CB VAL A 50 1.844 -6.568 7.760 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.508 -6.443 8.477 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.722 -5.357 8.036 1.00 0.00 C ATOM 0 H VAL A 50 3.933 -6.805 9.364 1.00 0.00 H new ATOM 0 HA VAL A 50 1.820 -8.620 8.429 1.00 0.00 H new ATOM 0 HB VAL A 50 1.651 -6.612 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.014 -5.522 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.122 -7.296 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.674 -6.421 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.198 -4.451 7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.948 -5.306 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.651 -5.445 7.472 1.00 0.00 H new ATOM 749 N ASN A 51 2.858 -9.263 6.224 1.00 0.00 N ATOM 750 CA ASN A 51 3.568 -9.817 5.076 1.00 0.00 C ATOM 751 C ASN A 51 3.103 -9.160 3.780 1.00 0.00 C ATOM 752 O ASN A 51 2.231 -8.292 3.791 1.00 0.00 O ATOM 753 CB ASN A 51 3.354 -11.330 4.999 1.00 0.00 C ATOM 754 CG ASN A 51 3.907 -12.055 6.212 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.239 -11.434 7.222 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.008 -13.375 6.116 1.00 0.00 N ATOM 0 H ASN A 51 1.915 -9.630 6.354 1.00 0.00 H new ATOM 0 HA ASN A 51 4.631 -9.613 5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.288 -11.539 4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.832 -11.716 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.373 -13.917 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.721 -13.847 5.259 1.00 0.00 H new ATOM 763 N GLU A 52 3.692 -9.581 2.665 1.00 0.00 N ATOM 764 CA GLU A 52 3.338 -9.032 1.361 1.00 0.00 C ATOM 765 C GLU A 52 1.828 -9.068 1.148 1.00 0.00 C ATOM 766 O GLU A 52 1.217 -8.059 0.795 1.00 0.00 O ATOM 767 CB GLU A 52 4.040 -9.813 0.248 1.00 0.00 C ATOM 768 CG GLU A 52 5.556 -9.770 0.337 1.00 0.00 C ATOM 769 CD GLU A 52 6.215 -10.944 -0.361 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.902 -11.183 -1.546 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.044 -11.625 0.279 1.00 0.00 O ATOM 0 H GLU A 52 4.416 -10.299 2.638 1.00 0.00 H new ATOM 0 HA GLU A 52 3.667 -7.993 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.712 -10.852 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.730 -9.412 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.916 -8.841 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.855 -9.761 1.385 1.00 0.00 H new ATOM 778 N GLU A 53 1.233 -10.237 1.365 1.00 0.00 N ATOM 779 CA GLU A 53 -0.206 -10.404 1.195 1.00 0.00 C ATOM 780 C GLU A 53 -0.969 -9.270 1.873 1.00 0.00 C ATOM 781 O GLU A 53 -2.098 -8.952 1.496 1.00 0.00 O ATOM 782 CB GLU A 53 -0.656 -11.750 1.766 1.00 0.00 C ATOM 783 CG GLU A 53 -1.853 -12.347 1.045 1.00 0.00 C ATOM 784 CD GLU A 53 -1.450 -13.248 -0.107 1.00 0.00 C ATOM 785 OE1 GLU A 53 -0.669 -12.794 -0.969 1.00 0.00 O ATOM 786 OE2 GLU A 53 -1.915 -14.406 -0.146 1.00 0.00 O ATOM 0 H GLU A 53 1.724 -11.081 1.658 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.426 -10.379 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.176 -12.453 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.903 -11.624 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.453 -12.917 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.484 -11.542 0.668 1.00 0.00 H new ATOM 793 N THR A 54 -0.345 -8.662 2.877 1.00 0.00 N ATOM 794 CA THR A 54 -0.965 -7.565 3.610 1.00 0.00 C ATOM 795 C THR A 54 -1.326 -6.415 2.677 1.00 0.00 C ATOM 796 O THR A 54 -0.502 -5.969 1.878 1.00 0.00 O ATOM 797 CB THR A 54 -0.038 -7.037 4.721 1.00 0.00 C ATOM 798 OG1 THR A 54 0.330 -8.106 5.601 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.718 -5.932 5.515 1.00 0.00 C ATOM 0 H THR A 54 0.590 -8.911 3.201 1.00 0.00 H new ATOM 0 HA THR A 54 -1.874 -7.961 4.063 1.00 0.00 H new ATOM 0 HB THR A 54 0.857 -6.627 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.861 -8.767 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.044 -5.576 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.971 -5.108 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.628 -6.320 5.973 1.00 0.00 H new ATOM 807 N VAL A 55 -2.562 -5.938 2.784 1.00 0.00 N ATOM 808 CA VAL A 55 -3.032 -4.838 1.950 1.00 0.00 C ATOM 809 C VAL A 55 -2.725 -3.491 2.594 1.00 0.00 C ATOM 810 O VAL A 55 -2.621 -3.385 3.816 1.00 0.00 O ATOM 811 CB VAL A 55 -4.547 -4.938 1.690 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.975 -3.928 0.637 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.923 -6.350 1.271 1.00 0.00 C ATOM 0 H VAL A 55 -3.256 -6.296 3.440 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.503 -4.912 1.000 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.074 -4.707 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.048 -4.013 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.741 -2.921 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.443 -4.125 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.997 -6.402 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.389 -6.613 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.653 -7.049 2.063 1.00 0.00 H new ATOM 823 N ILE A 56 -2.581 -2.463 1.764 1.00 0.00 N ATOM 824 CA ILE A 56 -2.288 -1.122 2.253 1.00 0.00 C ATOM 825 C ILE A 56 -3.454 -0.174 1.991 1.00 0.00 C ATOM 826 O ILE A 56 -3.803 0.095 0.841 1.00 0.00 O ATOM 827 CB ILE A 56 -1.018 -0.549 1.597 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.140 -1.540 1.725 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.652 0.786 2.228 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.497 -1.871 3.157 1.00 0.00 C ATOM 0 H ILE A 56 -2.663 -2.534 0.750 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.126 -1.206 3.328 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.216 -0.386 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.121 -2.460 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.017 -1.128 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.248 1.178 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.472 1.491 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.469 0.647 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.326 -2.579 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.789 -0.960 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.366 -2.313 3.654 1.00 0.00 H new ATOM 842 N PHE A 57 -4.052 0.330 3.065 1.00 0.00 N ATOM 843 CA PHE A 57 -5.178 1.249 2.952 1.00 0.00 C ATOM 844 C PHE A 57 -4.703 2.699 2.988 1.00 0.00 C ATOM 845 O PHE A 57 -3.769 3.041 3.714 1.00 0.00 O ATOM 846 CB PHE A 57 -6.181 1.001 4.081 1.00 0.00 C ATOM 847 CG PHE A 57 -6.965 -0.269 3.917 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.319 -1.493 3.842 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.348 -0.240 3.839 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.039 -2.663 3.691 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.073 -1.408 3.688 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.417 -2.621 3.615 1.00 0.00 C ATOM 0 H PHE A 57 -3.776 0.117 4.024 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.667 1.069 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.647 0.969 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.873 1.842 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.241 -1.533 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.866 0.706 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.524 -3.610 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.151 -1.372 3.627 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.981 -3.535 3.499 1.00 0.00 H new ATOM 862 N LYS A 58 -5.353 3.548 2.199 1.00 0.00 N ATOM 863 CA LYS A 58 -5.000 4.961 2.139 1.00 0.00 C ATOM 864 C LYS A 58 -5.636 5.730 3.293 1.00 0.00 C ATOM 865 O LYS A 58 -6.381 5.164 4.093 1.00 0.00 O ATOM 866 CB LYS A 58 -5.444 5.563 0.804 1.00 0.00 C ATOM 867 CG LYS A 58 -4.448 5.347 -0.322 1.00 0.00 C ATOM 868 CD LYS A 58 -5.142 5.251 -1.670 1.00 0.00 C ATOM 869 CE LYS A 58 -6.141 6.382 -1.864 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.841 6.284 -3.174 1.00 0.00 N ATOM 0 H LYS A 58 -6.128 3.281 1.592 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.916 5.043 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.402 5.127 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.607 6.633 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.732 6.169 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.881 4.434 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.398 5.280 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.656 4.293 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.874 6.361 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.623 7.339 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.708 7.168 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.448 5.490 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.856 6.125 -3.014 1.00 0.00 H new ATOM 884 N SER A 59 -5.339 7.024 3.371 1.00 0.00 N ATOM 885 CA SER A 59 -5.881 7.870 4.428 1.00 0.00 C ATOM 886 C SER A 59 -7.372 8.116 4.216 1.00 0.00 C ATOM 887 O SER A 59 -8.067 8.593 5.113 1.00 0.00 O ATOM 888 CB SER A 59 -5.134 9.204 4.475 1.00 0.00 C ATOM 889 OG SER A 59 -5.602 10.013 5.540 1.00 0.00 O ATOM 0 H SER A 59 -4.726 7.509 2.715 1.00 0.00 H new ATOM 0 HA SER A 59 -5.747 7.353 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.066 9.022 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.264 9.731 3.530 1.00 0.00 H new ATOM 0 HG SER A 59 -6.536 9.789 5.735 1.00 0.00 H new ATOM 895 N ASP A 60 -7.856 7.786 3.024 1.00 0.00 N ATOM 896 CA ASP A 60 -9.264 7.970 2.693 1.00 0.00 C ATOM 897 C ASP A 60 -10.026 6.654 2.813 1.00 0.00 C ATOM 898 O ASP A 60 -11.132 6.516 2.290 1.00 0.00 O ATOM 899 CB ASP A 60 -9.409 8.530 1.277 1.00 0.00 C ATOM 900 CG ASP A 60 -9.030 9.996 1.193 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.735 10.827 1.802 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.027 10.311 0.519 1.00 0.00 O ATOM 0 H ASP A 60 -7.294 7.390 2.271 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.688 8.682 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.781 7.956 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.439 8.404 0.943 1.00 0.00 H new ATOM 907 N ARG A 61 -9.427 5.690 3.504 1.00 0.00 N ATOM 908 CA ARG A 61 -10.049 4.385 3.691 1.00 0.00 C ATOM 909 C ARG A 61 -10.222 3.669 2.354 1.00 0.00 C ATOM 910 O ARG A 61 -11.265 3.072 2.090 1.00 0.00 O ATOM 911 CB ARG A 61 -11.406 4.536 4.380 1.00 0.00 C ATOM 912 CG ARG A 61 -11.327 5.216 5.737 1.00 0.00 C ATOM 913 CD ARG A 61 -12.458 4.768 6.651 1.00 0.00 C ATOM 914 NE ARG A 61 -13.667 5.564 6.457 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.856 6.758 7.006 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.921 7.292 7.780 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.983 7.421 6.782 1.00 0.00 N ATOM 0 H ARG A 61 -8.512 5.788 3.944 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.394 3.786 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.070 5.109 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.854 3.550 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.369 4.989 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.370 6.297 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.681 3.718 6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.136 4.845 7.690 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.407 5.182 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.053 6.785 7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.070 8.210 8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.705 7.013 6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.128 8.338 7.204 1.00 0.00 H new ATOM 931 N GLN A 62 -9.193 3.735 1.515 1.00 0.00 N ATOM 932 CA GLN A 62 -9.233 3.095 0.206 1.00 0.00 C ATOM 933 C GLN A 62 -8.016 2.199 0.001 1.00 0.00 C ATOM 934 O GLN A 62 -6.878 2.668 0.024 1.00 0.00 O ATOM 935 CB GLN A 62 -9.297 4.150 -0.900 1.00 0.00 C ATOM 936 CG GLN A 62 -10.715 4.542 -1.284 1.00 0.00 C ATOM 937 CD GLN A 62 -10.761 5.789 -2.146 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.144 5.735 -3.315 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.371 6.921 -1.572 1.00 0.00 N ATOM 0 H GLN A 62 -8.322 4.225 1.719 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.129 2.476 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.758 5.040 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.782 3.771 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.184 3.717 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.300 4.708 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.061 6.920 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.381 7.792 -2.103 1.00 0.00 H new ATOM 948 N ALA A 63 -8.263 0.909 -0.199 1.00 0.00 N ATOM 949 CA ALA A 63 -7.187 -0.052 -0.410 1.00 0.00 C ATOM 950 C ALA A 63 -6.333 0.336 -1.613 1.00 0.00 C ATOM 951 O ALA A 63 -6.613 -0.067 -2.741 1.00 0.00 O ATOM 952 CB ALA A 63 -7.757 -1.450 -0.595 1.00 0.00 C ATOM 0 H ALA A 63 -9.199 0.505 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.549 -0.045 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.943 -2.157 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.319 -1.735 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.419 -1.461 -1.461 1.00 0.00 H new ATOM 958 N ALA A 64 -5.290 1.121 -1.363 1.00 0.00 N ATOM 959 CA ALA A 64 -4.394 1.562 -2.425 1.00 0.00 C ATOM 960 C ALA A 64 -3.811 0.373 -3.181 1.00 0.00 C ATOM 961 O ALA A 64 -3.528 0.462 -4.374 1.00 0.00 O ATOM 962 CB ALA A 64 -3.279 2.424 -1.851 1.00 0.00 C ATOM 0 H ALA A 64 -5.045 1.465 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.973 2.158 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.618 2.746 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.710 3.298 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.710 1.846 -1.123 1.00 0.00 H new ATOM 968 N GLY A 65 -3.634 -0.741 -2.476 1.00 0.00 N ATOM 969 CA GLY A 65 -3.085 -1.932 -3.097 1.00 0.00 C ATOM 970 C GLY A 65 -2.321 -2.798 -2.115 1.00 0.00 C ATOM 971 O GLY A 65 -2.092 -2.401 -0.973 1.00 0.00 O ATOM 0 H GLY A 65 -3.861 -0.839 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.894 -2.515 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.422 -1.641 -3.912 1.00 0.00 H new ATOM 975 N LYS A 66 -1.927 -3.987 -2.559 1.00 0.00 N ATOM 976 CA LYS A 66 -1.185 -4.913 -1.712 1.00 0.00 C ATOM 977 C LYS A 66 0.318 -4.708 -1.868 1.00 0.00 C ATOM 978 O LYS A 66 0.777 -4.142 -2.861 1.00 0.00 O ATOM 979 CB LYS A 66 -1.552 -6.358 -2.058 1.00 0.00 C ATOM 980 CG LYS A 66 -2.736 -6.890 -1.270 1.00 0.00 C ATOM 981 CD LYS A 66 -3.120 -8.291 -1.717 1.00 0.00 C ATOM 982 CE LYS A 66 -4.552 -8.627 -1.330 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.964 -9.965 -1.837 1.00 0.00 N ATOM 0 H LYS A 66 -2.109 -4.332 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.455 -4.714 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.777 -6.422 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.688 -6.997 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.492 -6.900 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.587 -6.221 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.005 -8.373 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.441 -9.016 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.650 -8.604 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.224 -7.866 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.946 -10.157 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.895 -9.979 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.339 -10.695 -1.438 1.00 0.00 H new ATOM 997 N ILE A 67 1.079 -5.172 -0.883 1.00 0.00 N ATOM 998 CA ILE A 67 2.531 -5.041 -0.913 1.00 0.00 C ATOM 999 C ILE A 67 3.131 -5.846 -2.061 1.00 0.00 C ATOM 1000 O ILE A 67 2.796 -7.014 -2.256 1.00 0.00 O ATOM 1001 CB ILE A 67 3.165 -5.505 0.411 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.024 -4.417 1.478 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.629 -5.861 0.201 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.918 -4.961 2.885 1.00 0.00 C ATOM 0 H ILE A 67 0.715 -5.642 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 67 2.750 -3.983 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 67 2.640 -6.396 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.883 -3.748 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.139 -3.819 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.063 -6.187 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.707 -6.665 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.168 -4.986 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.821 -4.134 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.043 -5.607 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.814 -5.535 3.122 1.00 0.00 H new ATOM 1016 N PHE A 68 4.022 -5.213 -2.817 1.00 0.00 N ATOM 1017 CA PHE A 68 4.671 -5.870 -3.946 1.00 0.00 C ATOM 1018 C PHE A 68 6.082 -6.318 -3.576 1.00 0.00 C ATOM 1019 O PHE A 68 6.636 -7.229 -4.191 1.00 0.00 O ATOM 1020 CB PHE A 68 4.723 -4.928 -5.150 1.00 0.00 C ATOM 1021 CG PHE A 68 5.880 -5.194 -6.070 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.754 -6.083 -7.125 1.00 0.00 C ATOM 1023 CD2 PHE A 68 7.095 -4.554 -5.880 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.818 -6.330 -7.972 1.00 0.00 C ATOM 1025 CE2 PHE A 68 8.162 -4.797 -6.724 1.00 0.00 C ATOM 1026 CZ PHE A 68 8.023 -5.685 -7.772 1.00 0.00 C ATOM 0 H PHE A 68 4.311 -4.246 -2.668 1.00 0.00 H new ATOM 0 HA PHE A 68 4.085 -6.751 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.794 -5.019 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.781 -3.899 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.814 -6.589 -7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.209 -3.857 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.707 -7.027 -8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.104 -4.293 -6.564 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.855 -5.875 -8.434 1.00 0.00 H new ATOM 1036 N GLU A 69 6.657 -5.672 -2.566 1.00 0.00 N ATOM 1037 CA GLU A 69 8.003 -6.004 -2.116 1.00 0.00 C ATOM 1038 C GLU A 69 8.376 -5.197 -0.875 1.00 0.00 C ATOM 1039 O GLU A 69 7.915 -4.070 -0.693 1.00 0.00 O ATOM 1040 CB GLU A 69 9.018 -5.741 -3.231 1.00 0.00 C ATOM 1041 CG GLU A 69 10.463 -5.873 -2.782 1.00 0.00 C ATOM 1042 CD GLU A 69 11.382 -6.327 -3.900 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.573 -5.555 -4.862 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.911 -7.455 -3.811 1.00 0.00 O ATOM 0 H GLU A 69 6.212 -4.917 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 69 8.021 -7.063 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.835 -6.438 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.859 -4.738 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.810 -4.913 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.520 -6.584 -1.958 1.00 0.00 H new ATOM 1051 N ILE A 70 9.211 -5.784 -0.024 1.00 0.00 N ATOM 1052 CA ILE A 70 9.646 -5.120 1.199 1.00 0.00 C ATOM 1053 C ILE A 70 11.154 -5.247 1.387 1.00 0.00 C ATOM 1054 O ILE A 70 11.717 -6.334 1.260 1.00 0.00 O ATOM 1055 CB ILE A 70 8.935 -5.700 2.437 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.429 -5.800 2.187 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.219 -4.842 3.660 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.679 -6.507 3.294 1.00 0.00 C ATOM 0 H ILE A 70 9.600 -6.717 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 70 9.382 -4.067 1.098 1.00 0.00 H new ATOM 0 HB ILE A 70 9.320 -6.703 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.021 -4.796 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.259 -6.328 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.710 -5.264 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.293 -4.818 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.858 -3.829 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.617 -6.541 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.060 -7.523 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.819 -5.967 4.231 1.00 0.00 H new ATOM 1070 N PHE A 71 11.802 -4.127 1.691 1.00 0.00 N ATOM 1071 CA PHE A 71 13.246 -4.112 1.898 1.00 0.00 C ATOM 1072 C PHE A 71 13.617 -3.216 3.076 1.00 0.00 C ATOM 1073 O PHE A 71 12.768 -2.522 3.634 1.00 0.00 O ATOM 1074 CB PHE A 71 13.958 -3.631 0.632 1.00 0.00 C ATOM 1075 CG PHE A 71 13.455 -2.309 0.127 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.919 -1.122 0.671 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.518 -2.253 -0.892 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.458 0.096 0.208 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.053 -1.038 -1.359 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.523 0.138 -0.808 1.00 0.00 C ATOM 0 H PHE A 71 11.351 -3.219 1.799 1.00 0.00 H new ATOM 0 HA PHE A 71 13.567 -5.129 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.026 -3.551 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.836 -4.380 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.649 -1.149 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.147 -3.169 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.828 1.014 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.323 -1.008 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.160 1.088 -1.171 1.00 0.00 H new ATOM 1090 N GLY A 72 14.893 -3.239 3.450 1.00 0.00 N ATOM 1091 CA GLY A 72 15.355 -2.427 4.560 1.00 0.00 C ATOM 1092 C GLY A 72 15.560 -3.236 5.826 1.00 0.00 C ATOM 1093 O GLY A 72 15.550 -4.467 5.809 1.00 0.00 O ATOM 0 H GLY A 72 15.614 -3.805 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.292 -1.943 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.631 -1.635 4.752 1.00 0.00 H new ATOM 1097 N PRO A 73 15.753 -2.538 6.954 1.00 0.00 N ATOM 1098 CA PRO A 73 15.966 -3.179 8.255 1.00 0.00 C ATOM 1099 C PRO A 73 14.707 -3.863 8.778 1.00 0.00 C ATOM 1100 O PRO A 73 13.762 -4.104 8.026 1.00 0.00 O ATOM 1101 CB PRO A 73 16.358 -2.013 9.166 1.00 0.00 C ATOM 1102 CG PRO A 73 15.745 -0.813 8.530 1.00 0.00 C ATOM 1103 CD PRO A 73 15.777 -1.068 7.048 1.00 0.00 C ATOM 0 HA PRO A 73 16.717 -3.967 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.984 -2.159 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.441 -1.913 9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.723 -0.666 8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.301 0.090 8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.921 -0.619 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.672 -0.650 6.588 1.00 0.00 H new ATOM 1111 N VAL A 74 14.701 -4.174 10.070 1.00 0.00 N ATOM 1112 CA VAL A 74 13.557 -4.829 10.693 1.00 0.00 C ATOM 1113 C VAL A 74 12.781 -3.858 11.575 1.00 0.00 C ATOM 1114 O VAL A 74 11.681 -4.164 12.035 1.00 0.00 O ATOM 1115 CB VAL A 74 13.996 -6.037 11.542 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.799 -5.578 12.750 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.787 -6.852 11.974 1.00 0.00 C ATOM 0 H VAL A 74 15.475 -3.983 10.706 1.00 0.00 H new ATOM 0 HA VAL A 74 12.913 -5.176 9.885 1.00 0.00 H new ATOM 0 HB VAL A 74 14.636 -6.674 10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.100 -6.445 13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.686 -5.041 12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.187 -4.918 13.365 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.116 -7.701 12.573 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.120 -6.227 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.258 -7.213 11.092 1.00 0.00 H new ATOM 1127 N ALA A 75 13.361 -2.684 11.807 1.00 0.00 N ATOM 1128 CA ALA A 75 12.722 -1.666 12.631 1.00 0.00 C ATOM 1129 C ALA A 75 12.251 -0.489 11.784 1.00 0.00 C ATOM 1130 O ALA A 75 11.243 0.147 12.092 1.00 0.00 O ATOM 1131 CB ALA A 75 13.677 -1.190 13.716 1.00 0.00 C ATOM 0 H ALA A 75 14.272 -2.415 11.436 1.00 0.00 H new ATOM 0 HA ALA A 75 11.847 -2.113 13.103 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.187 -0.430 14.324 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.960 -2.033 14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.569 -0.766 13.255 1.00 0.00 H new ATOM 1137 N HIS A 76 12.987 -0.204 10.714 1.00 0.00 N ATOM 1138 CA HIS A 76 12.645 0.898 9.822 1.00 0.00 C ATOM 1139 C HIS A 76 12.627 0.434 8.369 1.00 0.00 C ATOM 1140 O HIS A 76 13.219 1.056 7.486 1.00 0.00 O ATOM 1141 CB HIS A 76 13.639 2.047 9.991 1.00 0.00 C ATOM 1142 CG HIS A 76 13.942 2.371 11.421 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.992 2.837 12.305 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.098 2.294 12.121 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.550 3.033 13.486 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.828 2.710 13.401 1.00 0.00 N ATOM 0 H HIS A 76 13.824 -0.721 10.444 1.00 0.00 H new ATOM 0 HA HIS A 76 11.648 1.250 10.085 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.567 1.791 9.480 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.241 2.936 9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.055 1.966 11.743 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.047 3.396 14.370 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.504 2.761 14.163 1.00 0.00 H new ATOM 1154 N PRO A 77 11.933 -0.684 8.112 1.00 0.00 N ATOM 1155 CA PRO A 77 11.821 -1.256 6.767 1.00 0.00 C ATOM 1156 C PRO A 77 10.968 -0.397 5.840 1.00 0.00 C ATOM 1157 O PRO A 77 10.364 0.586 6.270 1.00 0.00 O ATOM 1158 CB PRO A 77 11.149 -2.609 7.011 1.00 0.00 C ATOM 1159 CG PRO A 77 10.394 -2.433 8.283 1.00 0.00 C ATOM 1160 CD PRO A 77 11.202 -1.477 9.115 1.00 0.00 C ATOM 0 HA PRO A 77 12.790 -1.329 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.484 -2.875 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.886 -3.408 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.396 -2.038 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.267 -3.386 8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.565 -0.849 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.882 -2.003 9.785 1.00 0.00 H new ATOM 1168 N PHE A 78 10.921 -0.774 4.567 1.00 0.00 N ATOM 1169 CA PHE A 78 10.141 -0.037 3.579 1.00 0.00 C ATOM 1170 C PHE A 78 9.292 -0.986 2.739 1.00 0.00 C ATOM 1171 O PHE A 78 9.791 -1.978 2.208 1.00 0.00 O ATOM 1172 CB PHE A 78 11.066 0.777 2.672 1.00 0.00 C ATOM 1173 CG PHE A 78 12.184 1.457 3.410 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.272 0.732 3.868 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.145 2.822 3.647 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.302 1.355 4.547 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.172 3.451 4.325 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.251 2.716 4.777 1.00 0.00 C ATOM 0 H PHE A 78 11.414 -1.586 4.195 1.00 0.00 H new ATOM 0 HA PHE A 78 9.476 0.643 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.490 0.118 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.477 1.530 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.316 -0.333 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.303 3.401 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.145 0.779 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.131 4.516 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.053 3.205 5.309 1.00 0.00 H new ATOM 1188 N TYR A 79 8.006 -0.674 2.624 1.00 0.00 N ATOM 1189 CA TYR A 79 7.085 -1.500 1.851 1.00 0.00 C ATOM 1190 C TYR A 79 6.849 -0.903 0.468 1.00 0.00 C ATOM 1191 O TYR A 79 6.848 0.316 0.296 1.00 0.00 O ATOM 1192 CB TYR A 79 5.754 -1.645 2.591 1.00 0.00 C ATOM 1193 CG TYR A 79 5.899 -2.177 3.999 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.219 -1.330 5.053 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.715 -3.526 4.276 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.353 -1.811 6.341 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.845 -4.016 5.561 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.164 -3.155 6.590 1.00 0.00 C ATOM 1199 OH TYR A 79 6.295 -3.638 7.871 1.00 0.00 O ATOM 0 H TYR A 79 7.577 0.145 3.056 1.00 0.00 H new ATOM 0 HA TYR A 79 7.534 -2.486 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.261 -0.674 2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.104 -2.312 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.366 -0.277 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.466 -4.203 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.604 -1.139 7.148 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.698 -5.067 5.759 1.00 0.00 H new ATOM 0 HH TYR A 79 6.129 -4.604 7.875 1.00 0.00 H new ATOM 1209 N VAL A 80 6.647 -1.772 -0.518 1.00 0.00 N ATOM 1210 CA VAL A 80 6.407 -1.332 -1.887 1.00 0.00 C ATOM 1211 C VAL A 80 4.971 -1.619 -2.313 1.00 0.00 C ATOM 1212 O VAL A 80 4.384 -2.627 -1.917 1.00 0.00 O ATOM 1213 CB VAL A 80 7.370 -2.019 -2.874 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.146 -1.501 -4.287 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.813 -1.808 -2.443 1.00 0.00 C ATOM 0 H VAL A 80 6.645 -2.784 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 80 6.582 -0.256 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 80 7.166 -3.090 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.835 -1.998 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.120 -1.708 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.322 -0.426 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.480 -2.300 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.033 -0.741 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.962 -2.232 -1.450 1.00 0.00 H new ATOM 1225 N LEU A 81 4.410 -0.727 -3.122 1.00 0.00 N ATOM 1226 CA LEU A 81 3.042 -0.885 -3.603 1.00 0.00 C ATOM 1227 C LEU A 81 3.023 -1.214 -5.092 1.00 0.00 C ATOM 1228 O LEU A 81 3.845 -0.713 -5.859 1.00 0.00 O ATOM 1229 CB LEU A 81 2.239 0.391 -3.341 1.00 0.00 C ATOM 1230 CG LEU A 81 1.565 0.489 -1.972 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.554 1.625 -1.955 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.895 -0.828 -1.611 1.00 0.00 C ATOM 0 H LEU A 81 4.881 0.113 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 81 2.585 -1.713 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.905 1.246 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.471 0.477 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 81 2.331 0.700 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.084 1.679 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.061 2.566 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.209 1.445 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.421 -0.739 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.141 -1.070 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.643 -1.620 -1.581 1.00 0.00 H new ATOM 1244 N ARG A 82 2.078 -2.057 -5.494 1.00 0.00 N ATOM 1245 CA ARG A 82 1.951 -2.453 -6.892 1.00 0.00 C ATOM 1246 C ARG A 82 1.083 -1.461 -7.661 1.00 0.00 C ATOM 1247 O ARG A 82 0.088 -0.956 -7.140 1.00 0.00 O ATOM 1248 CB ARG A 82 1.352 -3.857 -6.994 1.00 0.00 C ATOM 1249 CG ARG A 82 1.075 -4.298 -8.422 1.00 0.00 C ATOM 1250 CD ARG A 82 2.318 -4.882 -9.076 1.00 0.00 C ATOM 1251 NE ARG A 82 2.276 -4.768 -10.531 1.00 0.00 N ATOM 1252 CZ ARG A 82 3.210 -5.265 -11.335 1.00 0.00 C ATOM 1253 NH1 ARG A 82 4.253 -5.908 -10.827 1.00 0.00 N ATOM 1254 NH2 ARG A 82 3.102 -5.121 -12.649 1.00 0.00 N ATOM 0 H ARG A 82 1.389 -2.479 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 82 2.947 -2.457 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.034 -4.569 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.422 -3.888 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.277 -5.041 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.722 -3.447 -9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.202 -4.368 -8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.415 -5.931 -8.797 1.00 0.00 H new ATOM 0 HE ARG A 82 1.486 -4.280 -10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.339 -6.022 -9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.969 -6.289 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.301 -4.628 -13.044 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.820 -5.503 -13.265 1.00 0.00 H new ATOM 1268 N PHE A 83 1.467 -1.185 -8.903 1.00 0.00 N ATOM 1269 CA PHE A 83 0.725 -0.252 -9.743 1.00 0.00 C ATOM 1270 C PHE A 83 1.126 -0.403 -11.208 1.00 0.00 C ATOM 1271 O PHE A 83 2.310 -0.461 -11.536 1.00 0.00 O ATOM 1272 CB PHE A 83 0.968 1.186 -9.282 1.00 0.00 C ATOM 1273 CG PHE A 83 0.237 1.543 -8.020 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.148 1.537 -7.981 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.934 1.884 -6.872 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.825 1.865 -6.821 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.263 2.212 -5.709 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.118 2.203 -5.684 1.00 0.00 C ATOM 0 H PHE A 83 2.288 -1.594 -9.350 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.336 -0.482 -9.649 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.037 1.334 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.663 1.869 -10.075 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.705 1.273 -8.867 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.014 1.894 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.905 1.857 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.818 2.475 -4.821 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.644 2.460 -4.776 1.00 0.00 H new ATOM 1288 N ASN A 84 0.128 -0.468 -12.084 1.00 0.00 N ATOM 1289 CA ASN A 84 0.375 -0.614 -13.514 1.00 0.00 C ATOM 1290 C ASN A 84 1.371 0.433 -14.003 1.00 0.00 C ATOM 1291 O ASN A 84 2.390 0.101 -14.609 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.935 -0.492 -14.294 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.688 -1.806 -14.368 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.527 -2.574 -15.317 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.517 -2.070 -13.364 1.00 0.00 N ATOM 0 H ASN A 84 -0.858 -0.422 -11.829 1.00 0.00 H new ATOM 0 HA ASN A 84 0.801 -1.603 -13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.567 0.260 -13.822 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.722 -0.141 -15.304 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.052 -2.939 -13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.619 -1.404 -12.598 1.00 0.00 H new ATOM 1302 N SER A 85 1.069 1.700 -13.736 1.00 0.00 N ATOM 1303 CA SER A 85 1.935 2.797 -14.152 1.00 0.00 C ATOM 1304 C SER A 85 1.723 4.022 -13.267 1.00 0.00 C ATOM 1305 O SER A 85 0.934 3.990 -12.324 1.00 0.00 O ATOM 1306 CB SER A 85 1.670 3.158 -15.615 1.00 0.00 C ATOM 1307 OG SER A 85 0.431 3.831 -15.757 1.00 0.00 O ATOM 0 H SER A 85 0.231 1.992 -13.233 1.00 0.00 H new ATOM 0 HA SER A 85 2.970 2.470 -14.048 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.476 3.790 -15.989 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.667 2.252 -16.222 1.00 0.00 H new ATOM 0 HG SER A 85 0.285 4.053 -16.700 1.00 0.00 H new ATOM 1313 N SER A 86 2.435 5.100 -13.580 1.00 0.00 N ATOM 1314 CA SER A 86 2.330 6.335 -12.812 1.00 0.00 C ATOM 1315 C SER A 86 0.872 6.764 -12.673 1.00 0.00 C ATOM 1316 O SER A 86 0.398 7.041 -11.571 1.00 0.00 O ATOM 1317 CB SER A 86 3.140 7.447 -13.481 1.00 0.00 C ATOM 1318 OG SER A 86 2.833 7.542 -14.861 1.00 0.00 O ATOM 0 H SER A 86 3.091 5.143 -14.360 1.00 0.00 H new ATOM 0 HA SER A 86 2.734 6.151 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.930 8.398 -12.992 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.205 7.252 -13.355 1.00 0.00 H new ATOM 0 HG SER A 86 3.362 8.261 -15.265 1.00 0.00 H new ATOM 1324 N ASP A 87 0.168 6.818 -13.798 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.236 7.214 -13.803 1.00 0.00 C ATOM 1326 C ASP A 87 -1.997 6.528 -12.673 1.00 0.00 C ATOM 1327 O ASP A 87 -2.688 7.181 -11.890 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.879 6.873 -15.148 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.009 7.818 -15.506 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -2.728 8.879 -16.101 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -4.174 7.497 -15.190 1.00 0.00 O ATOM 0 H ASP A 87 0.546 6.593 -14.718 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.285 8.292 -13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.120 6.907 -15.929 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.259 5.852 -15.117 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.867 5.207 -12.595 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.544 4.432 -11.560 1.00 0.00 C ATOM 1338 C HIS A 88 -2.402 5.105 -10.198 1.00 0.00 C ATOM 1339 O HIS A 88 -3.379 5.249 -9.463 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.977 3.014 -11.503 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.905 2.022 -10.872 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.972 0.701 -11.260 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.806 2.166 -9.872 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.876 0.075 -10.528 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.396 0.941 -9.677 1.00 0.00 N ATOM 0 H HIS A 88 -1.300 4.651 -13.235 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.603 4.382 -11.812 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.741 2.685 -12.515 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.040 3.028 -10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.021 3.074 -9.329 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.144 -0.968 -10.611 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.118 0.734 -8.987 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.181 5.512 -9.869 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.913 6.169 -8.595 1.00 0.00 C ATOM 1355 C ILE A 89 -1.601 7.528 -8.522 1.00 0.00 C ATOM 1356 O ILE A 89 -2.438 7.765 -7.652 1.00 0.00 O ATOM 1357 CB ILE A 89 0.598 6.357 -8.366 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.294 4.998 -8.266 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.845 7.178 -7.109 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.609 4.380 -9.610 1.00 0.00 C ATOM 0 H ILE A 89 -0.362 5.399 -10.466 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.312 5.521 -7.815 1.00 0.00 H new ATOM 0 HB ILE A 89 1.015 6.896 -9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.220 5.114 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.660 4.315 -7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.918 7.302 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.378 8.157 -7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.417 6.664 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.101 3.419 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.684 4.232 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.269 5.043 -10.170 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.242 8.416 -9.444 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.825 9.752 -9.484 1.00 0.00 C ATOM 1374 C GLU A 90 -3.304 9.712 -9.110 1.00 0.00 C ATOM 1375 O GLU A 90 -3.795 10.574 -8.382 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.657 10.365 -10.876 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.208 10.616 -11.259 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.071 11.581 -12.422 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.719 12.648 -12.388 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.685 11.268 -13.365 1.00 0.00 O ATOM 0 H GLU A 90 -0.551 8.235 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.300 10.371 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.109 9.701 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.204 11.307 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.328 11.013 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.264 9.669 -11.520 1.00 0.00 H new ATOM 1387 N SER A 91 -4.008 8.703 -9.613 1.00 0.00 N ATOM 1388 CA SER A 91 -5.432 8.551 -9.336 1.00 0.00 C ATOM 1389 C SER A 91 -5.675 8.333 -7.846 1.00 0.00 C ATOM 1390 O SER A 91 -6.467 9.041 -7.223 1.00 0.00 O ATOM 1391 CB SER A 91 -6.006 7.379 -10.135 1.00 0.00 C ATOM 1392 OG SER A 91 -7.408 7.511 -10.296 1.00 0.00 O ATOM 0 H SER A 91 -3.616 7.979 -10.214 1.00 0.00 H new ATOM 0 HA SER A 91 -5.936 9.469 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.527 7.332 -11.113 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.782 6.442 -9.625 1.00 0.00 H new ATOM 0 HG SER A 91 -7.751 6.751 -10.811 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.987 7.348 -7.279 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.126 7.035 -5.861 1.00 0.00 C ATOM 1400 C LYS A 92 -4.808 8.254 -5.001 1.00 0.00 C ATOM 1401 O LYS A 92 -5.387 8.440 -3.932 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.202 5.875 -5.481 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.465 4.605 -6.271 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.680 3.861 -5.743 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.604 2.375 -6.059 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.918 1.700 -5.867 1.00 0.00 N ATOM 0 H LYS A 92 -4.327 6.752 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.160 6.743 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.167 6.181 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.318 5.662 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.618 4.854 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.590 3.957 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.754 4.001 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.585 4.282 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.273 2.239 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.857 1.905 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.825 0.689 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.223 1.808 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.625 2.131 -6.496 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.884 9.084 -5.477 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.506 10.275 -4.739 1.00 0.00 C ATOM 1422 C GLY A 93 -2.287 10.055 -3.866 1.00 0.00 C ATOM 1423 O GLY A 93 -1.917 10.922 -3.074 1.00 0.00 O ATOM 0 H GLY A 93 -3.391 8.953 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.305 11.085 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.342 10.593 -4.116 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.661 8.891 -4.009 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.477 8.560 -3.227 1.00 0.00 C ATOM 1429 C ILE A 94 0.763 9.245 -3.789 1.00 0.00 C ATOM 1430 O ILE A 94 0.995 9.239 -4.999 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.236 7.039 -3.186 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.542 6.302 -2.886 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.822 6.698 -2.148 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.589 4.900 -3.453 1.00 0.00 C ATOM 0 H ILE A 94 -1.955 8.162 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.659 8.918 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 94 0.125 6.717 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.682 6.253 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.375 6.877 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.981 5.620 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.756 7.199 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.488 7.031 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.544 4.438 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.480 4.942 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.777 4.309 -3.030 1.00 0.00 H new ATOM 1446 N LYS A 95 1.560 9.835 -2.904 1.00 0.00 N ATOM 1447 CA LYS A 95 2.780 10.523 -3.311 1.00 0.00 C ATOM 1448 C LYS A 95 3.679 10.791 -2.108 1.00 0.00 C ATOM 1449 O LYS A 95 3.304 10.518 -0.968 1.00 0.00 O ATOM 1450 CB LYS A 95 2.438 11.840 -4.010 1.00 0.00 C ATOM 1451 CG LYS A 95 1.303 12.603 -3.349 1.00 0.00 C ATOM 1452 CD LYS A 95 1.741 13.226 -2.035 1.00 0.00 C ATOM 1453 CE LYS A 95 0.856 14.403 -1.654 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.862 15.463 -2.699 1.00 0.00 N ATOM 0 H LYS A 95 1.383 9.850 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 95 3.317 9.879 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.326 12.472 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.170 11.633 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.948 13.383 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.465 11.929 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.708 12.475 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.776 13.559 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.165 14.054 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.198 14.823 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.984 16.393 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.646 15.293 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.039 15.445 -3.217 1.00 0.00 H new ATOM 1468 N ILE A 96 4.865 11.330 -2.371 1.00 0.00 N ATOM 1469 CA ILE A 96 5.816 11.638 -1.310 1.00 0.00 C ATOM 1470 C ILE A 96 5.144 12.406 -0.177 1.00 0.00 C ATOM 1471 O ILE A 96 4.273 13.244 -0.410 1.00 0.00 O ATOM 1472 CB ILE A 96 7.004 12.461 -1.840 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.699 11.717 -2.982 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.987 12.756 -0.717 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.492 10.513 -2.524 1.00 0.00 C ATOM 0 H ILE A 96 5.190 11.562 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 96 6.186 10.685 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 96 6.627 13.409 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.949 11.395 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.366 12.406 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.821 13.339 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.484 13.322 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.360 11.819 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.957 10.034 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.265 10.831 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.826 9.805 -2.031 1.00 0.00 H new ATOM 1487 N LYS A 97 5.557 12.117 1.053 1.00 0.00 N ATOM 1488 CA LYS A 97 4.999 12.782 2.224 1.00 0.00 C ATOM 1489 C LYS A 97 3.525 12.430 2.399 1.00 0.00 C ATOM 1490 O LYS A 97 2.704 13.294 2.704 1.00 0.00 O ATOM 1491 CB LYS A 97 5.161 14.299 2.100 1.00 0.00 C ATOM 1492 CG LYS A 97 6.601 14.743 1.915 1.00 0.00 C ATOM 1493 CD LYS A 97 7.454 14.393 3.123 1.00 0.00 C ATOM 1494 CE LYS A 97 8.182 13.072 2.926 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.408 12.984 3.768 1.00 0.00 N ATOM 0 H LYS A 97 6.277 11.426 1.264 1.00 0.00 H new ATOM 0 HA LYS A 97 5.544 12.435 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.569 14.651 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.755 14.774 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.017 14.269 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.632 15.820 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.180 15.187 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.824 14.334 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.512 12.248 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.453 12.960 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.876 12.070 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.058 13.755 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.147 13.066 4.771 1.00 0.00 H new ATOM 1509 N GLU A 98 3.199 11.156 2.206 1.00 0.00 N ATOM 1510 CA GLU A 98 1.823 10.691 2.343 1.00 0.00 C ATOM 1511 C GLU A 98 1.739 9.525 3.324 1.00 0.00 C ATOM 1512 O GLU A 98 2.236 8.431 3.051 1.00 0.00 O ATOM 1513 CB GLU A 98 1.266 10.270 0.982 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.242 10.083 0.974 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.657 8.668 1.329 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.014 7.720 0.832 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.623 8.509 2.104 1.00 0.00 O ATOM 0 H GLU A 98 3.868 10.428 1.955 1.00 0.00 H new ATOM 0 HA GLU A 98 1.224 11.514 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.534 11.022 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.741 9.338 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.694 10.778 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.630 10.335 -0.013 1.00 0.00 H new ATOM 1524 N THR A 99 1.106 9.765 4.468 1.00 0.00 N ATOM 1525 CA THR A 99 0.957 8.737 5.490 1.00 0.00 C ATOM 1526 C THR A 99 -0.113 7.724 5.099 1.00 0.00 C ATOM 1527 O THR A 99 -1.224 8.095 4.723 1.00 0.00 O ATOM 1528 CB THR A 99 0.592 9.351 6.855 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.328 10.561 7.060 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.887 8.374 7.983 1.00 0.00 C ATOM 0 H THR A 99 0.688 10.663 4.710 1.00 0.00 H new ATOM 0 HA THR A 99 1.919 8.232 5.573 1.00 0.00 H new ATOM 0 HB THR A 99 -0.475 9.572 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.089 10.946 7.929 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.621 8.829 8.937 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.303 7.465 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.949 8.127 7.982 1.00 0.00 H new ATOM 1538 N MET A 100 0.231 6.443 5.189 1.00 0.00 N ATOM 1539 CA MET A 100 -0.702 5.376 4.846 1.00 0.00 C ATOM 1540 C MET A 100 -1.068 4.557 6.080 1.00 0.00 C ATOM 1541 O MET A 100 -0.496 4.744 7.154 1.00 0.00 O ATOM 1542 CB MET A 100 -0.098 4.465 3.776 1.00 0.00 C ATOM 1543 CG MET A 100 0.450 5.220 2.575 1.00 0.00 C ATOM 1544 SD MET A 100 0.377 4.253 1.055 1.00 0.00 S ATOM 1545 CE MET A 100 -1.131 4.885 0.324 1.00 0.00 C ATOM 0 H MET A 100 1.148 6.119 5.496 1.00 0.00 H new ATOM 0 HA MET A 100 -1.610 5.834 4.453 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.704 3.876 4.222 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.859 3.762 3.437 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.115 6.142 2.442 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.484 5.505 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.390 4.288 -0.550 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.939 4.830 1.053 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.983 5.922 0.024 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.025 3.650 5.919 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.470 2.804 7.021 1.00 0.00 C ATOM 1557 C TYR A 101 -2.863 1.418 6.519 1.00 0.00 C ATOM 1558 O TYR A 101 -2.944 1.181 5.314 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.652 3.451 7.743 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.452 4.921 8.038 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.528 5.869 7.024 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.184 5.361 9.328 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.345 7.212 7.288 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.001 6.703 9.601 1.00 0.00 C ATOM 1565 CZ TYR A 101 -3.082 7.624 8.578 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.899 8.961 8.846 1.00 0.00 O ATOM 0 H TYR A 101 -2.508 3.481 5.036 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.641 2.696 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.548 3.330 7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.828 2.922 8.680 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.734 5.550 6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.118 4.642 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.407 7.936 6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.796 7.029 10.610 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.724 9.082 9.803 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.106 0.505 7.453 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.491 -0.859 7.108 1.00 0.00 C ATOM 1578 C PHE A 102 -4.650 -1.335 7.979 1.00 0.00 C ATOM 1579 O PHE A 102 -5.023 -0.675 8.949 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.298 -1.803 7.266 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.582 -1.650 8.578 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.257 -1.827 9.775 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.234 -1.331 8.614 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.601 -1.686 10.983 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.428 -1.189 9.819 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.257 -1.367 11.005 1.00 0.00 C ATOM 0 H PHE A 102 -3.043 0.685 8.455 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.816 -0.866 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.644 -2.832 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.593 -1.624 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.307 -2.078 9.764 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.306 -1.192 7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.139 -1.825 11.909 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.479 -0.939 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.257 -1.257 11.948 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.215 -2.484 7.626 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.330 -3.050 8.376 1.00 0.00 C ATOM 1598 C ALA A 103 -6.014 -4.466 8.845 1.00 0.00 C ATOM 1599 O ALA A 103 -6.049 -4.756 10.042 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.593 -3.042 7.528 1.00 0.00 C ATOM 0 H ALA A 103 -4.919 -3.042 6.825 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.494 -2.432 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.418 -3.467 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.836 -2.017 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.431 -3.636 6.628 1.00 0.00 H new