USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 610 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 40 GLN : amide:sc= -2.23 X(o=-3.2,f=-3.5) USER MOD Set 1.2: A 56 ASN : amide:sc= -0.28 K(o=-3.2,f=-5!) USER MOD Set 1.3: A 78 HIS : no HD1:sc= -0.127 X(o=-3.2,f=-3.1) USER MOD Set 1.4: A 82 GLN : amide:sc= -0.572 K(o=-3.2,f=-3.8) USER MOD Set 2.1: A 68 GLN : amide:sc= -1.57 K(o=-2.5,f=-5.7!) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.892 K(o=-2.5,f=-4.7!) USER MOD Set 3.1: A 45 THR OG1 : rot -70:sc= -0.126 USER MOD Set 3.2: A 47 GLN : amide:sc= 0.25 K(o=0.12,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot -170:sc= -2.48! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 134:sc= 0.174 USER MOD Single : A 62 HIS : no HD1:sc= -0.662 K(o=-0.66,f=0.044) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -8.790 1.353 -6.439 1.00 0.00 N ATOM 192 CA GLY A 12 -9.962 0.716 -5.868 1.00 0.00 C ATOM 193 C GLY A 12 -9.628 -0.140 -4.662 1.00 0.00 C ATOM 194 O GLY A 12 -10.282 -0.044 -3.623 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.682 1.481 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.441 0.098 -6.627 1.00 0.00 H new ATOM 198 N GLN A 13 -8.607 -0.980 -4.800 1.00 0.00 N ATOM 199 CA GLN A 13 -8.188 -1.858 -3.713 1.00 0.00 C ATOM 200 C GLN A 13 -7.629 -1.052 -2.546 1.00 0.00 C ATOM 201 O GLN A 13 -7.904 -1.351 -1.384 1.00 0.00 O ATOM 202 CB GLN A 13 -7.137 -2.852 -4.211 1.00 0.00 C ATOM 203 CG GLN A 13 -7.242 -4.224 -3.563 1.00 0.00 C ATOM 204 CD GLN A 13 -7.269 -5.349 -4.579 1.00 0.00 C ATOM 205 OE1 GLN A 13 -8.336 -5.833 -4.959 1.00 0.00 O ATOM 206 NE2 GLN A 13 -6.092 -5.773 -5.025 1.00 0.00 N ATOM 0 H GLN A 13 -8.055 -1.071 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.063 -2.407 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.235 -2.961 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.144 -2.444 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.398 -4.369 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.146 -4.266 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.232 -5.344 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.048 -6.528 -5.709 1.00 0.00 H new ATOM 215 N LEU A 14 -6.843 -0.027 -2.862 1.00 0.00 N ATOM 216 CA LEU A 14 -6.245 0.822 -1.839 1.00 0.00 C ATOM 217 C LEU A 14 -7.320 1.488 -0.986 1.00 0.00 C ATOM 218 O LEU A 14 -7.154 1.652 0.223 1.00 0.00 O ATOM 219 CB LEU A 14 -5.358 1.888 -2.485 1.00 0.00 C ATOM 220 CG LEU A 14 -4.282 2.477 -1.571 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.008 2.754 -2.355 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.787 3.747 -0.904 1.00 0.00 C ATOM 0 H LEU A 14 -6.606 0.235 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.633 0.192 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.873 1.454 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.993 2.699 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.054 1.748 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.254 3.173 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.636 1.824 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.220 3.464 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.009 4.153 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.044 4.481 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.671 3.518 -0.308 1.00 0.00 H new ATOM 234 N ALA A 15 -8.423 1.868 -1.623 1.00 0.00 N ATOM 235 CA ALA A 15 -9.525 2.516 -0.922 1.00 0.00 C ATOM 236 C ALA A 15 -10.303 1.513 -0.076 1.00 0.00 C ATOM 237 O ALA A 15 -10.604 1.771 1.089 1.00 0.00 O ATOM 238 CB ALA A 15 -10.451 3.201 -1.916 1.00 0.00 C ATOM 0 H ALA A 15 -8.577 1.738 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.106 3.268 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.270 3.681 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.893 3.953 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.855 2.461 -2.607 1.00 0.00 H new ATOM 244 N THR A 16 -10.624 0.369 -0.671 1.00 0.00 N ATOM 245 CA THR A 16 -11.367 -0.674 0.028 1.00 0.00 C ATOM 246 C THR A 16 -10.575 -1.201 1.220 1.00 0.00 C ATOM 247 O THR A 16 -11.089 -1.276 2.336 1.00 0.00 O ATOM 248 CB THR A 16 -11.697 -1.822 -0.928 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.132 -1.322 -2.180 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.774 -2.746 -0.403 1.00 0.00 C ATOM 0 H THR A 16 -10.382 0.140 -1.635 1.00 0.00 H new ATOM 0 HA THR A 16 -12.296 -0.239 0.396 1.00 0.00 H new ATOM 0 HB THR A 16 -10.772 -2.389 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.358 -1.194 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.960 -3.538 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.448 -3.187 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.691 -2.180 -0.240 1.00 0.00 H new ATOM 258 N LEU A 17 -9.321 -1.568 0.975 1.00 0.00 N ATOM 259 CA LEU A 17 -8.457 -2.090 2.028 1.00 0.00 C ATOM 260 C LEU A 17 -8.287 -1.071 3.150 1.00 0.00 C ATOM 261 O LEU A 17 -8.368 -1.412 4.330 1.00 0.00 O ATOM 262 CB LEU A 17 -7.090 -2.469 1.452 1.00 0.00 C ATOM 263 CG LEU A 17 -6.511 -3.786 1.973 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.133 -3.658 3.441 1.00 0.00 C ATOM 265 CD2 LEU A 17 -7.505 -4.920 1.773 1.00 0.00 C ATOM 0 H LEU A 17 -8.881 -1.514 0.057 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.929 -2.981 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.174 -2.531 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.385 -1.667 1.672 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.609 -4.016 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.723 -4.604 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.386 -2.873 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.019 -3.406 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.077 -5.849 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.424 -4.698 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.727 -5.026 0.711 1.00 0.00 H new ATOM 277 N ARG A 18 -8.048 0.182 2.775 1.00 0.00 N ATOM 278 CA ARG A 18 -7.865 1.250 3.750 1.00 0.00 C ATOM 279 C ARG A 18 -9.126 1.451 4.585 1.00 0.00 C ATOM 280 O ARG A 18 -9.056 1.854 5.746 1.00 0.00 O ATOM 281 CB ARG A 18 -7.495 2.556 3.043 1.00 0.00 C ATOM 282 CG ARG A 18 -7.050 3.657 3.993 1.00 0.00 C ATOM 283 CD ARG A 18 -8.076 4.776 4.072 1.00 0.00 C ATOM 284 NE ARG A 18 -7.797 5.699 5.170 1.00 0.00 N ATOM 285 CZ ARG A 18 -6.862 6.645 5.124 1.00 0.00 C ATOM 286 NH1 ARG A 18 -6.114 6.797 4.038 1.00 0.00 N ATOM 287 NH2 ARG A 18 -6.674 7.442 6.168 1.00 0.00 N ATOM 0 H ARG A 18 -7.977 0.482 1.803 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.053 0.961 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.696 2.359 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.354 2.906 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.890 3.238 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.094 4.062 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.086 5.325 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.070 4.348 4.202 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.351 5.613 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.254 6.187 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.399 7.524 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.246 7.329 7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.958 8.167 6.133 1.00 0.00 H new ATOM 301 N GLN A 19 -10.279 1.167 3.987 1.00 0.00 N ATOM 302 CA GLN A 19 -11.555 1.317 4.676 1.00 0.00 C ATOM 303 C GLN A 19 -11.778 0.180 5.668 1.00 0.00 C ATOM 304 O GLN A 19 -12.126 0.411 6.825 1.00 0.00 O ATOM 305 CB GLN A 19 -12.703 1.359 3.666 1.00 0.00 C ATOM 306 CG GLN A 19 -14.048 1.699 4.287 1.00 0.00 C ATOM 307 CD GLN A 19 -15.194 0.940 3.647 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.002 1.512 2.916 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.270 -0.357 3.921 1.00 0.00 N ATOM 0 H GLN A 19 -10.355 0.832 3.027 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.530 2.256 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.471 2.095 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.775 0.391 3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.019 1.475 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.228 2.770 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.578 -0.790 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.020 -0.920 3.520 1.00 0.00 H new ATOM 318 N ARG A 20 -11.575 -1.050 5.205 1.00 0.00 N ATOM 319 CA ARG A 20 -11.754 -2.224 6.051 1.00 0.00 C ATOM 320 C ARG A 20 -10.661 -2.305 7.113 1.00 0.00 C ATOM 321 O ARG A 20 -10.901 -2.760 8.231 1.00 0.00 O ATOM 322 CB ARG A 20 -11.751 -3.496 5.200 1.00 0.00 C ATOM 323 CG ARG A 20 -13.140 -3.963 4.797 1.00 0.00 C ATOM 324 CD ARG A 20 -13.207 -5.477 4.677 1.00 0.00 C ATOM 325 NE ARG A 20 -13.114 -5.921 3.288 1.00 0.00 N ATOM 326 CZ ARG A 20 -14.133 -5.898 2.432 1.00 0.00 C ATOM 327 NH1 ARG A 20 -15.323 -5.453 2.818 1.00 0.00 N ATOM 328 NH2 ARG A 20 -13.963 -6.320 1.187 1.00 0.00 N ATOM 0 H ARG A 20 -11.287 -1.259 4.249 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.716 -2.134 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.161 -3.320 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.256 -4.293 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.867 -3.623 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.415 -3.509 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.397 -5.923 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.142 -5.834 5.110 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.215 -6.269 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.460 -5.127 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.100 -5.438 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.051 -6.663 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.744 -6.302 0.531 1.00 0.00 H new ATOM 342 N CYS A 21 -9.461 -1.862 6.754 1.00 0.00 N ATOM 343 CA CYS A 21 -8.330 -1.886 7.675 1.00 0.00 C ATOM 344 C CYS A 21 -8.114 -0.520 8.325 1.00 0.00 C ATOM 345 O CYS A 21 -7.070 -0.272 8.928 1.00 0.00 O ATOM 346 CB CYS A 21 -7.060 -2.320 6.941 1.00 0.00 C ATOM 347 SG CYS A 21 -7.044 -4.063 6.461 1.00 0.00 S ATOM 0 H CYS A 21 -9.246 -1.482 5.832 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.555 -2.605 8.462 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.942 -1.707 6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.199 -2.122 7.579 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.858 -4.386 6.039 1.00 0.00 H new ATOM 353 N ALA A 22 -9.100 0.364 8.200 1.00 0.00 N ATOM 354 CA ALA A 22 -9.004 1.699 8.778 1.00 0.00 C ATOM 355 C ALA A 22 -8.834 1.632 10.294 1.00 0.00 C ATOM 356 O ALA A 22 -7.827 2.091 10.834 1.00 0.00 O ATOM 357 CB ALA A 22 -10.232 2.520 8.416 1.00 0.00 C ATOM 0 H ALA A 22 -9.972 0.180 7.705 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.121 2.185 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.147 3.514 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.305 2.606 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.125 2.029 8.802 1.00 0.00 H new ATOM 363 N PRO A 23 -9.822 1.059 11.004 1.00 0.00 N ATOM 364 CA PRO A 23 -9.776 0.938 12.464 1.00 0.00 C ATOM 365 C PRO A 23 -8.826 -0.163 12.929 1.00 0.00 C ATOM 366 O PRO A 23 -9.238 -1.113 13.594 1.00 0.00 O ATOM 367 CB PRO A 23 -11.218 0.589 12.828 1.00 0.00 C ATOM 368 CG PRO A 23 -11.741 -0.131 11.634 1.00 0.00 C ATOM 369 CD PRO A 23 -11.061 0.487 10.441 1.00 0.00 C ATOM 0 HA PRO A 23 -9.406 1.847 12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.262 -0.037 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.802 1.485 13.038 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.525 -1.197 11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.824 -0.029 11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.846 -0.256 9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.682 1.254 9.978 1.00 0.00 H new ATOM 377 N VAL A 24 -7.552 -0.028 12.574 1.00 0.00 N ATOM 378 CA VAL A 24 -6.545 -1.013 12.956 1.00 0.00 C ATOM 379 C VAL A 24 -5.444 -0.393 13.816 1.00 0.00 C ATOM 380 O VAL A 24 -4.629 -1.107 14.397 1.00 0.00 O ATOM 381 CB VAL A 24 -5.903 -1.668 11.717 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.952 -2.404 10.898 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.188 -0.627 10.869 1.00 0.00 C ATOM 0 H VAL A 24 -7.193 0.752 12.024 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.064 -1.774 13.539 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.164 -2.394 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.480 -2.860 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.412 -3.180 11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.717 -1.700 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.742 -1.110 10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.903 0.126 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.406 -0.151 11.460 1.00 0.00 H new ATOM 393 N SER A 25 -5.419 0.935 13.890 1.00 0.00 N ATOM 394 CA SER A 25 -4.411 1.637 14.678 1.00 0.00 C ATOM 395 C SER A 25 -4.479 1.241 16.151 1.00 0.00 C ATOM 396 O SER A 25 -3.507 1.399 16.890 1.00 0.00 O ATOM 397 CB SER A 25 -4.590 3.150 14.538 1.00 0.00 C ATOM 398 OG SER A 25 -5.778 3.584 15.177 1.00 0.00 O ATOM 0 H SER A 25 -6.084 1.545 13.415 1.00 0.00 H new ATOM 0 HA SER A 25 -3.431 1.351 14.295 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.732 3.663 14.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.622 3.420 13.482 1.00 0.00 H new ATOM 0 HG SER A 25 -5.869 4.554 15.075 1.00 0.00 H new ATOM 404 N GLN A 26 -5.632 0.732 16.577 1.00 0.00 N ATOM 405 CA GLN A 26 -5.819 0.323 17.965 1.00 0.00 C ATOM 406 C GLN A 26 -5.031 -0.946 18.281 1.00 0.00 C ATOM 407 O GLN A 26 -4.419 -1.059 19.343 1.00 0.00 O ATOM 408 CB GLN A 26 -7.304 0.103 18.259 1.00 0.00 C ATOM 409 CG GLN A 26 -7.970 -0.896 17.326 1.00 0.00 C ATOM 410 CD GLN A 26 -9.391 -1.222 17.742 1.00 0.00 C ATOM 411 OE1 GLN A 26 -10.349 -0.655 17.217 1.00 0.00 O ATOM 412 NE2 GLN A 26 -9.534 -2.141 18.690 1.00 0.00 N ATOM 0 H GLN A 26 -6.449 0.593 15.982 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.443 1.124 18.602 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.414 -0.243 19.287 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.825 1.058 18.187 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.975 -0.494 16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.382 -1.814 17.302 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.711 -2.586 19.098 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.466 -2.402 19.011 1.00 0.00 H new ATOM 421 N PHE A 27 -5.053 -1.900 17.356 1.00 0.00 N ATOM 422 CA PHE A 27 -4.343 -3.162 17.542 1.00 0.00 C ATOM 423 C PHE A 27 -3.351 -3.408 16.409 1.00 0.00 C ATOM 424 O PHE A 27 -3.021 -4.553 16.099 1.00 0.00 O ATOM 425 CB PHE A 27 -5.338 -4.322 17.626 1.00 0.00 C ATOM 426 CG PHE A 27 -5.026 -5.303 18.720 1.00 0.00 C ATOM 427 CD1 PHE A 27 -3.804 -5.955 18.758 1.00 0.00 C ATOM 428 CD2 PHE A 27 -5.956 -5.574 19.711 1.00 0.00 C ATOM 429 CE1 PHE A 27 -3.515 -6.859 19.763 1.00 0.00 C ATOM 430 CE2 PHE A 27 -5.673 -6.477 20.719 1.00 0.00 C ATOM 431 CZ PHE A 27 -4.451 -7.120 20.744 1.00 0.00 C ATOM 0 H PHE A 27 -5.554 -1.824 16.471 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.785 -3.099 18.477 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.339 -3.921 17.784 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.352 -4.848 16.671 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.068 -5.754 17.993 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.913 -5.074 19.696 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.559 -7.360 19.781 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.406 -6.679 21.486 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.228 -7.826 21.530 1.00 0.00 H new ATOM 441 N ALA A 28 -2.881 -2.329 15.791 1.00 0.00 N ATOM 442 CA ALA A 28 -1.932 -2.433 14.691 1.00 0.00 C ATOM 443 C ALA A 28 -0.651 -3.131 15.134 1.00 0.00 C ATOM 444 O ALA A 28 0.018 -2.691 16.069 1.00 0.00 O ATOM 445 CB ALA A 28 -1.618 -1.053 14.135 1.00 0.00 C ATOM 0 H ALA A 28 -3.142 -1.373 16.034 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.388 -3.035 13.905 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.908 -1.145 13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.535 -0.590 13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.186 -0.434 14.921 1.00 0.00 H new ATOM 451 N THR A 29 -0.315 -4.222 14.454 1.00 0.00 N ATOM 452 CA THR A 29 0.888 -4.984 14.774 1.00 0.00 C ATOM 453 C THR A 29 1.459 -5.650 13.526 1.00 0.00 C ATOM 454 O THR A 29 0.756 -6.375 12.821 1.00 0.00 O ATOM 455 CB THR A 29 0.579 -6.041 15.835 1.00 0.00 C ATOM 456 OG1 THR A 29 1.699 -6.884 16.043 1.00 0.00 O ATOM 457 CG2 THR A 29 -0.599 -6.921 15.479 1.00 0.00 C ATOM 0 H THR A 29 -0.858 -4.599 13.678 1.00 0.00 H new ATOM 0 HA THR A 29 1.633 -4.292 15.167 1.00 0.00 H new ATOM 0 HB THR A 29 0.333 -5.481 16.737 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.483 -7.553 16.726 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.763 -7.648 16.274 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.491 -6.305 15.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.393 -7.444 14.545 1.00 0.00 H new ATOM 465 N LEU A 30 2.737 -5.401 13.259 1.00 0.00 N ATOM 466 CA LEU A 30 3.400 -5.980 12.096 1.00 0.00 C ATOM 467 C LEU A 30 4.249 -7.183 12.498 1.00 0.00 C ATOM 468 O LEU A 30 4.963 -7.145 13.500 1.00 0.00 O ATOM 469 CB LEU A 30 4.274 -4.930 11.405 1.00 0.00 C ATOM 470 CG LEU A 30 3.611 -4.209 10.230 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.477 -3.051 9.757 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.348 -5.181 9.090 1.00 0.00 C ATOM 0 H LEU A 30 3.333 -4.803 13.831 1.00 0.00 H new ATOM 0 HA LEU A 30 2.632 -6.317 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.576 -4.188 12.144 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.184 -5.414 11.049 1.00 0.00 H new ATOM 0 HG LEU A 30 2.655 -3.807 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.989 -2.550 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.615 -2.343 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.448 -3.430 9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.876 -4.652 8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.291 -5.612 8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.688 -5.977 9.435 1.00 0.00 H new ATOM 484 N SER A 31 4.165 -8.250 11.710 1.00 0.00 N ATOM 485 CA SER A 31 4.924 -9.465 11.982 1.00 0.00 C ATOM 486 C SER A 31 6.423 -9.182 11.982 1.00 0.00 C ATOM 487 O SER A 31 6.854 -8.064 11.699 1.00 0.00 O ATOM 488 CB SER A 31 4.597 -10.539 10.944 1.00 0.00 C ATOM 489 OG SER A 31 5.003 -10.137 9.648 1.00 0.00 O ATOM 0 H SER A 31 3.578 -8.298 10.877 1.00 0.00 H new ATOM 0 HA SER A 31 4.640 -9.826 12.970 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.095 -11.471 11.212 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.525 -10.738 10.947 1.00 0.00 H new ATOM 0 HG SER A 31 4.784 -10.842 9.003 1.00 0.00 H new ATOM 495 N ALA A 32 7.212 -10.203 12.301 1.00 0.00 N ATOM 496 CA ALA A 32 8.664 -10.064 12.337 1.00 0.00 C ATOM 497 C ALA A 32 9.291 -10.363 10.976 1.00 0.00 C ATOM 498 O ALA A 32 10.512 -10.328 10.827 1.00 0.00 O ATOM 499 CB ALA A 32 9.253 -10.978 13.401 1.00 0.00 C ATOM 0 H ALA A 32 6.871 -11.135 12.538 1.00 0.00 H new ATOM 0 HA ALA A 32 8.894 -9.028 12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.337 -10.865 13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.845 -10.711 14.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.000 -12.013 13.172 1.00 0.00 H new ATOM 505 N ARG A 33 8.453 -10.657 9.984 1.00 0.00 N ATOM 506 CA ARG A 33 8.937 -10.960 8.642 1.00 0.00 C ATOM 507 C ARG A 33 8.868 -9.728 7.743 1.00 0.00 C ATOM 508 O ARG A 33 8.849 -9.844 6.517 1.00 0.00 O ATOM 509 CB ARG A 33 8.121 -12.098 8.028 1.00 0.00 C ATOM 510 CG ARG A 33 8.008 -13.319 8.927 1.00 0.00 C ATOM 511 CD ARG A 33 7.719 -14.577 8.124 1.00 0.00 C ATOM 512 NE ARG A 33 8.285 -15.769 8.751 1.00 0.00 N ATOM 513 CZ ARG A 33 9.570 -16.107 8.677 1.00 0.00 C ATOM 514 NH1 ARG A 33 10.425 -15.348 8.003 1.00 0.00 N ATOM 515 NH2 ARG A 33 10.001 -17.207 9.278 1.00 0.00 N ATOM 0 H ARG A 33 7.439 -10.691 10.085 1.00 0.00 H new ATOM 0 HA ARG A 33 9.979 -11.269 8.722 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.120 -11.733 7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.578 -12.393 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.935 -13.448 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.214 -13.162 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.641 -14.700 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.127 -14.467 7.119 1.00 0.00 H new ATOM 0 HE ARG A 33 7.658 -16.378 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.098 -14.501 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.409 -15.612 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.348 -17.794 9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.986 -17.467 9.222 1.00 0.00 H new ATOM 529 N PHE A 34 8.829 -8.548 8.357 1.00 0.00 N ATOM 530 CA PHE A 34 8.762 -7.301 7.614 1.00 0.00 C ATOM 531 C PHE A 34 10.008 -7.107 6.756 1.00 0.00 C ATOM 532 O PHE A 34 11.110 -7.491 7.149 1.00 0.00 O ATOM 533 CB PHE A 34 8.605 -6.129 8.581 1.00 0.00 C ATOM 534 CG PHE A 34 9.719 -6.025 9.584 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.988 -5.631 9.190 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.498 -6.323 10.919 1.00 0.00 C ATOM 537 CE1 PHE A 34 12.015 -5.534 10.110 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.521 -6.229 11.843 1.00 0.00 C ATOM 539 CZ PHE A 34 11.781 -5.834 11.438 1.00 0.00 C ATOM 0 H PHE A 34 8.843 -8.434 9.370 1.00 0.00 H new ATOM 0 HA PHE A 34 7.897 -7.342 6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.553 -5.202 8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.658 -6.230 9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.177 -5.397 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.515 -6.632 11.241 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.999 -5.224 9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.336 -6.464 12.881 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.582 -5.760 12.158 1.00 0.00 H new ATOM 549 N ASP A 35 9.826 -6.507 5.584 1.00 0.00 N ATOM 550 CA ASP A 35 10.936 -6.260 4.670 1.00 0.00 C ATOM 551 C ASP A 35 11.077 -4.769 4.380 1.00 0.00 C ATOM 552 O ASP A 35 10.103 -4.100 4.038 1.00 0.00 O ATOM 553 CB ASP A 35 10.730 -7.030 3.364 1.00 0.00 C ATOM 554 CG ASP A 35 12.029 -7.580 2.808 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.794 -8.192 3.582 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.280 -7.399 1.598 1.00 0.00 O ATOM 0 H ASP A 35 8.920 -6.183 5.245 1.00 0.00 H new ATOM 0 HA ASP A 35 11.853 -6.608 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.034 -7.851 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.271 -6.372 2.626 1.00 0.00 H new ATOM 561 N ARG A 36 12.294 -4.256 4.520 1.00 0.00 N ATOM 562 CA ARG A 36 12.560 -2.843 4.274 1.00 0.00 C ATOM 563 C ARG A 36 12.353 -2.492 2.802 1.00 0.00 C ATOM 564 O ARG A 36 12.129 -1.331 2.459 1.00 0.00 O ATOM 565 CB ARG A 36 13.988 -2.493 4.696 1.00 0.00 C ATOM 566 CG ARG A 36 14.155 -2.327 6.198 1.00 0.00 C ATOM 567 CD ARG A 36 13.256 -1.227 6.739 1.00 0.00 C ATOM 568 NE ARG A 36 12.009 -1.757 7.286 1.00 0.00 N ATOM 569 CZ ARG A 36 11.906 -2.319 8.488 1.00 0.00 C ATOM 570 NH1 ARG A 36 12.972 -2.425 9.272 1.00 0.00 N ATOM 571 NH2 ARG A 36 10.734 -2.775 8.908 1.00 0.00 N ATOM 0 H ARG A 36 13.112 -4.797 4.802 1.00 0.00 H new ATOM 0 HA ARG A 36 11.856 -2.260 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.663 -3.275 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.288 -1.569 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.922 -3.267 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.195 -2.094 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.786 -0.675 7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.030 -0.519 5.942 1.00 0.00 H new ATOM 0 HE ARG A 36 11.168 -1.692 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.876 -2.075 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.887 -2.857 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.912 -2.695 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.655 -3.206 9.829 1.00 0.00 H new ATOM 585 N HIS A 37 12.433 -3.498 1.937 1.00 0.00 N ATOM 586 CA HIS A 37 12.258 -3.289 0.504 1.00 0.00 C ATOM 587 C HIS A 37 10.785 -3.107 0.149 1.00 0.00 C ATOM 588 O HIS A 37 10.430 -2.223 -0.632 1.00 0.00 O ATOM 589 CB HIS A 37 12.839 -4.468 -0.279 1.00 0.00 C ATOM 590 CG HIS A 37 13.027 -4.184 -1.736 1.00 0.00 C ATOM 591 ND1 HIS A 37 12.275 -4.785 -2.724 1.00 0.00 N ATOM 592 CD2 HIS A 37 13.888 -3.355 -2.374 1.00 0.00 C ATOM 593 CE1 HIS A 37 12.666 -4.340 -3.905 1.00 0.00 C ATOM 594 NE2 HIS A 37 13.642 -3.471 -3.720 1.00 0.00 N ATOM 0 H HIS A 37 12.618 -4.465 2.203 1.00 0.00 H new ATOM 0 HA HIS A 37 12.791 -2.378 0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.800 -4.744 0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.179 -5.328 -0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.629 -2.721 -1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.257 -4.637 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.134 -2.967 -4.458 1.00 0.00 H new ATOM 603 N LEU A 38 9.931 -3.950 0.721 1.00 0.00 N ATOM 604 CA LEU A 38 8.498 -3.881 0.458 1.00 0.00 C ATOM 605 C LEU A 38 7.823 -2.850 1.358 1.00 0.00 C ATOM 606 O LEU A 38 6.832 -2.230 0.973 1.00 0.00 O ATOM 607 CB LEU A 38 7.854 -5.253 0.664 1.00 0.00 C ATOM 608 CG LEU A 38 8.447 -6.380 -0.184 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.851 -7.720 0.217 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.214 -6.111 -1.663 1.00 0.00 C ATOM 0 H LEU A 38 10.206 -4.688 1.369 1.00 0.00 H new ATOM 0 HA LEU A 38 8.362 -3.573 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.943 -5.525 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.789 -5.175 0.444 1.00 0.00 H new ATOM 0 HG LEU A 38 9.522 -6.417 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.285 -8.509 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.069 -7.916 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.771 -7.697 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.642 -6.922 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.143 -6.047 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.690 -5.170 -1.941 1.00 0.00 H new ATOM 622 N PHE A 39 8.365 -2.673 2.558 1.00 0.00 N ATOM 623 CA PHE A 39 7.814 -1.719 3.513 1.00 0.00 C ATOM 624 C PHE A 39 8.802 -0.589 3.785 1.00 0.00 C ATOM 625 O PHE A 39 10.015 -0.772 3.676 1.00 0.00 O ATOM 626 CB PHE A 39 7.456 -2.424 4.822 1.00 0.00 C ATOM 627 CG PHE A 39 6.516 -3.582 4.644 1.00 0.00 C ATOM 628 CD1 PHE A 39 6.973 -4.793 4.148 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.175 -3.460 4.971 1.00 0.00 C ATOM 630 CE1 PHE A 39 6.110 -5.860 3.983 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.308 -4.523 4.808 1.00 0.00 C ATOM 632 CZ PHE A 39 4.776 -5.725 4.313 1.00 0.00 C ATOM 0 H PHE A 39 9.186 -3.178 2.892 1.00 0.00 H new ATOM 0 HA PHE A 39 6.910 -1.291 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.371 -2.779 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.005 -1.702 5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.015 -4.904 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.803 -2.523 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.479 -6.799 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.265 -4.415 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.100 -6.557 4.184 1.00 0.00 H new ATOM 642 N GLN A 40 8.275 0.578 4.138 1.00 0.00 N ATOM 643 CA GLN A 40 9.110 1.738 4.426 1.00 0.00 C ATOM 644 C GLN A 40 9.744 1.623 5.809 1.00 0.00 C ATOM 645 O GLN A 40 9.400 0.734 6.588 1.00 0.00 O ATOM 646 CB GLN A 40 8.283 3.022 4.337 1.00 0.00 C ATOM 647 CG GLN A 40 9.044 4.196 3.743 1.00 0.00 C ATOM 648 CD GLN A 40 8.137 5.359 3.389 1.00 0.00 C ATOM 649 OE1 GLN A 40 8.360 6.490 3.822 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.107 5.086 2.597 1.00 0.00 N ATOM 0 H GLN A 40 7.273 0.746 4.232 1.00 0.00 H new ATOM 0 HA GLN A 40 9.907 1.774 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.396 2.832 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.937 3.291 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.799 4.532 4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.572 3.867 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.960 4.134 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.463 5.828 2.324 1.00 0.00 H new ATOM 659 N THR A 41 10.671 2.527 6.107 1.00 0.00 N ATOM 660 CA THR A 41 11.353 2.526 7.396 1.00 0.00 C ATOM 661 C THR A 41 10.371 2.796 8.531 1.00 0.00 C ATOM 662 O THR A 41 10.494 2.232 9.619 1.00 0.00 O ATOM 663 CB THR A 41 12.465 3.576 7.409 1.00 0.00 C ATOM 664 OG1 THR A 41 13.298 3.438 6.272 1.00 0.00 O ATOM 665 CG2 THR A 41 13.347 3.497 8.636 1.00 0.00 C ATOM 0 H THR A 41 10.967 3.270 5.474 1.00 0.00 H new ATOM 0 HA THR A 41 11.792 1.540 7.546 1.00 0.00 H new ATOM 0 HB THR A 41 11.954 4.539 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.002 4.119 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.115 4.269 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.742 3.649 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.821 2.516 8.681 1.00 0.00 H new ATOM 673 N ARG A 42 9.396 3.660 8.271 1.00 0.00 N ATOM 674 CA ARG A 42 8.392 4.004 9.271 1.00 0.00 C ATOM 675 C ARG A 42 7.391 2.867 9.461 1.00 0.00 C ATOM 676 O ARG A 42 6.719 2.786 10.489 1.00 0.00 O ATOM 677 CB ARG A 42 7.656 5.283 8.867 1.00 0.00 C ATOM 678 CG ARG A 42 7.047 6.032 10.041 1.00 0.00 C ATOM 679 CD ARG A 42 7.197 7.537 9.883 1.00 0.00 C ATOM 680 NE ARG A 42 7.522 8.191 11.149 1.00 0.00 N ATOM 681 CZ ARG A 42 7.480 9.508 11.335 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.127 10.315 10.342 1.00 0.00 N ATOM 683 NH2 ARG A 42 7.791 10.020 12.518 1.00 0.00 N ATOM 0 H ARG A 42 9.280 4.135 7.376 1.00 0.00 H new ATOM 0 HA ARG A 42 8.906 4.170 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.350 5.943 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.866 5.030 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.990 5.778 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.528 5.713 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.979 7.749 9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.271 7.954 9.487 1.00 0.00 H new ATOM 0 HE ARG A 42 7.797 7.604 11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.886 9.926 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.097 11.324 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.062 9.404 13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.759 11.029 12.661 1.00 0.00 H new ATOM 697 N ALA A 43 7.295 1.989 8.466 1.00 0.00 N ATOM 698 CA ALA A 43 6.375 0.860 8.530 1.00 0.00 C ATOM 699 C ALA A 43 6.691 -0.037 9.722 1.00 0.00 C ATOM 700 O ALA A 43 7.437 -1.009 9.600 1.00 0.00 O ATOM 701 CB ALA A 43 6.430 0.061 7.236 1.00 0.00 C ATOM 0 H ALA A 43 7.843 2.039 7.607 1.00 0.00 H new ATOM 0 HA ALA A 43 5.366 1.251 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.738 -0.779 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.149 0.702 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.442 -0.313 7.082 1.00 0.00 H new ATOM 707 N THR A 44 6.119 0.295 10.874 1.00 0.00 N ATOM 708 CA THR A 44 6.339 -0.479 12.090 1.00 0.00 C ATOM 709 C THR A 44 5.072 -1.224 12.500 1.00 0.00 C ATOM 710 O THR A 44 5.138 -2.276 13.136 1.00 0.00 O ATOM 711 CB THR A 44 6.797 0.436 13.226 1.00 0.00 C ATOM 712 OG1 THR A 44 7.037 -0.311 14.406 1.00 0.00 O ATOM 713 CG2 THR A 44 5.795 1.518 13.564 1.00 0.00 C ATOM 0 H THR A 44 5.499 1.096 10.991 1.00 0.00 H new ATOM 0 HA THR A 44 7.119 -1.213 11.887 1.00 0.00 H new ATOM 0 HB THR A 44 7.710 0.909 12.865 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.331 0.292 15.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.182 2.131 14.378 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.625 2.143 12.687 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.855 1.060 13.871 1.00 0.00 H new ATOM 721 N THR A 45 3.920 -0.672 12.133 1.00 0.00 N ATOM 722 CA THR A 45 2.640 -1.286 12.465 1.00 0.00 C ATOM 723 C THR A 45 1.673 -1.199 11.288 1.00 0.00 C ATOM 724 O THR A 45 1.978 -0.586 10.265 1.00 0.00 O ATOM 725 CB THR A 45 2.029 -0.608 13.693 1.00 0.00 C ATOM 726 OG1 THR A 45 1.831 0.774 13.456 1.00 0.00 O ATOM 727 CG2 THR A 45 2.880 -0.744 14.937 1.00 0.00 C ATOM 0 H THR A 45 3.847 0.198 11.606 1.00 0.00 H new ATOM 0 HA THR A 45 2.817 -2.338 12.689 1.00 0.00 H new ATOM 0 HB THR A 45 1.081 -1.119 13.864 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.699 1.227 13.416 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.389 -0.241 15.770 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.010 -1.800 15.176 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.855 -0.289 14.762 1.00 0.00 H new ATOM 735 N LEU A 46 0.506 -1.818 11.440 1.00 0.00 N ATOM 736 CA LEU A 46 -0.507 -1.812 10.390 1.00 0.00 C ATOM 737 C LEU A 46 -0.883 -0.386 9.998 1.00 0.00 C ATOM 738 O LEU A 46 -0.809 -0.013 8.828 1.00 0.00 O ATOM 739 CB LEU A 46 -1.753 -2.571 10.850 1.00 0.00 C ATOM 740 CG LEU A 46 -1.759 -4.065 10.522 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.646 -4.822 11.498 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.220 -4.294 9.091 1.00 0.00 C ATOM 0 H LEU A 46 0.238 -2.330 12.280 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.087 -2.309 9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.855 -2.451 11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.629 -2.111 10.393 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.742 -4.444 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.638 -5.883 11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.271 -4.684 12.512 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.666 -4.442 11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.218 -5.362 8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.229 -3.900 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.544 -3.784 8.405 1.00 0.00 H new ATOM 754 N GLN A 47 -1.286 0.408 10.986 1.00 0.00 N ATOM 755 CA GLN A 47 -1.674 1.793 10.745 1.00 0.00 C ATOM 756 C GLN A 47 -0.541 2.570 10.083 1.00 0.00 C ATOM 757 O GLN A 47 -0.778 3.437 9.242 1.00 0.00 O ATOM 758 CB GLN A 47 -2.071 2.469 12.059 1.00 0.00 C ATOM 759 CG GLN A 47 -0.983 2.421 13.120 1.00 0.00 C ATOM 760 CD GLN A 47 -0.285 3.755 13.300 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.917 4.811 13.258 1.00 0.00 O ATOM 762 NE2 GLN A 47 1.028 3.714 13.501 1.00 0.00 N ATOM 0 H GLN A 47 -1.352 0.115 11.961 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.531 1.791 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.327 3.510 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.969 1.989 12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.420 2.113 14.070 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.248 1.664 12.847 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.512 2.817 13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.552 4.580 13.628 1.00 0.00 H new ATOM 771 N ALA A 48 0.691 2.252 10.466 1.00 0.00 N ATOM 772 CA ALA A 48 1.861 2.920 9.908 1.00 0.00 C ATOM 773 C ALA A 48 2.040 2.567 8.435 1.00 0.00 C ATOM 774 O ALA A 48 2.476 3.395 7.637 1.00 0.00 O ATOM 775 CB ALA A 48 3.107 2.550 10.698 1.00 0.00 C ATOM 0 H ALA A 48 0.905 1.536 11.160 1.00 0.00 H new ATOM 0 HA ALA A 48 1.706 3.996 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.973 3.056 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.984 2.857 11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.259 1.472 10.654 1.00 0.00 H new ATOM 781 N CYS A 49 1.699 1.331 8.083 1.00 0.00 N ATOM 782 CA CYS A 49 1.821 0.869 6.705 1.00 0.00 C ATOM 783 C CYS A 49 0.823 1.588 5.804 1.00 0.00 C ATOM 784 O CYS A 49 1.183 2.092 4.740 1.00 0.00 O ATOM 785 CB CYS A 49 1.599 -0.642 6.630 1.00 0.00 C ATOM 786 SG CYS A 49 2.365 -1.430 5.194 1.00 0.00 S ATOM 0 H CYS A 49 1.337 0.633 8.732 1.00 0.00 H new ATOM 0 HA CYS A 49 2.829 1.097 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.993 -1.102 7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.527 -0.841 6.611 1.00 0.00 H new ATOM 0 HG CYS A 49 2.990 -2.505 5.571 1.00 0.00 H new ATOM 792 N LEU A 50 -0.432 1.634 6.239 1.00 0.00 N ATOM 793 CA LEU A 50 -1.482 2.295 5.473 1.00 0.00 C ATOM 794 C LEU A 50 -1.203 3.790 5.355 1.00 0.00 C ATOM 795 O LEU A 50 -1.409 4.389 4.299 1.00 0.00 O ATOM 796 CB LEU A 50 -2.844 2.068 6.132 1.00 0.00 C ATOM 797 CG LEU A 50 -3.533 0.754 5.760 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.427 0.281 6.896 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.336 0.918 4.479 1.00 0.00 C ATOM 0 H LEU A 50 -0.746 1.222 7.117 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.497 1.864 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.717 2.100 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.502 2.894 5.864 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.766 -0.002 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.909 -0.655 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.825 0.124 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.188 1.035 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.819 -0.026 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.095 1.688 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.670 1.211 3.667 1.00 0.00 H new ATOM 811 N ASP A 51 -0.731 4.385 6.446 1.00 0.00 N ATOM 812 CA ASP A 51 -0.420 5.809 6.465 1.00 0.00 C ATOM 813 C ASP A 51 0.703 6.130 5.485 1.00 0.00 C ATOM 814 O ASP A 51 0.593 7.056 4.680 1.00 0.00 O ATOM 815 CB ASP A 51 -0.023 6.247 7.876 1.00 0.00 C ATOM 816 CG ASP A 51 0.158 7.748 7.987 1.00 0.00 C ATOM 817 OD1 ASP A 51 1.192 8.258 7.507 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.735 8.413 8.553 1.00 0.00 O ATOM 0 H ASP A 51 -0.556 3.903 7.328 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.312 6.356 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.787 5.923 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.905 5.750 8.160 1.00 0.00 H new ATOM 823 N GLU A 52 1.782 5.358 5.556 1.00 0.00 N ATOM 824 CA GLU A 52 2.925 5.557 4.673 1.00 0.00 C ATOM 825 C GLU A 52 2.510 5.420 3.212 1.00 0.00 C ATOM 826 O GLU A 52 2.939 6.195 2.358 1.00 0.00 O ATOM 827 CB GLU A 52 4.031 4.552 4.999 1.00 0.00 C ATOM 828 CG GLU A 52 4.906 4.967 6.170 1.00 0.00 C ATOM 829 CD GLU A 52 6.114 5.775 5.737 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.922 6.859 5.147 1.00 0.00 O ATOM 831 OE2 GLU A 52 7.251 5.324 5.989 1.00 0.00 O ATOM 0 H GLU A 52 1.889 4.588 6.217 1.00 0.00 H new ATOM 0 HA GLU A 52 3.305 6.566 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.578 3.585 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.658 4.417 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.313 5.554 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.241 4.077 6.702 1.00 0.00 H new ATOM 838 N ALA A 53 1.668 4.429 2.934 1.00 0.00 N ATOM 839 CA ALA A 53 1.191 4.192 1.578 1.00 0.00 C ATOM 840 C ALA A 53 0.368 5.373 1.077 1.00 0.00 C ATOM 841 O ALA A 53 0.465 5.762 -0.087 1.00 0.00 O ATOM 842 CB ALA A 53 0.371 2.912 1.522 1.00 0.00 C ATOM 0 H ALA A 53 1.303 3.779 3.630 1.00 0.00 H new ATOM 0 HA ALA A 53 2.058 4.081 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.021 2.748 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.989 2.070 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.486 2.999 2.190 1.00 0.00 H new ATOM 848 N GLY A 54 -0.439 5.943 1.967 1.00 0.00 N ATOM 849 CA GLY A 54 -1.264 7.077 1.599 1.00 0.00 C ATOM 850 C GLY A 54 -0.439 8.289 1.218 1.00 0.00 C ATOM 851 O GLY A 54 -0.788 9.022 0.293 1.00 0.00 O ATOM 0 H GLY A 54 -0.535 5.639 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.906 6.800 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.918 7.333 2.432 1.00 0.00 H new ATOM 855 N ASP A 55 0.662 8.499 1.933 1.00 0.00 N ATOM 856 CA ASP A 55 1.543 9.629 1.665 1.00 0.00 C ATOM 857 C ASP A 55 2.308 9.421 0.362 1.00 0.00 C ATOM 858 O ASP A 55 2.622 10.379 -0.345 1.00 0.00 O ATOM 859 CB ASP A 55 2.524 9.823 2.823 1.00 0.00 C ATOM 860 CG ASP A 55 2.773 11.287 3.131 1.00 0.00 C ATOM 861 OD1 ASP A 55 3.465 11.952 2.332 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.274 11.768 4.170 1.00 0.00 O ATOM 0 H ASP A 55 0.965 7.901 2.702 1.00 0.00 H new ATOM 0 HA ASP A 55 0.929 10.524 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.134 9.329 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.470 9.340 2.579 1.00 0.00 H new ATOM 867 N ASN A 56 2.603 8.163 0.050 1.00 0.00 N ATOM 868 CA ASN A 56 3.329 7.828 -1.169 1.00 0.00 C ATOM 869 C ASN A 56 2.467 8.088 -2.400 1.00 0.00 C ATOM 870 O ASN A 56 2.873 8.805 -3.314 1.00 0.00 O ATOM 871 CB ASN A 56 3.771 6.363 -1.139 1.00 0.00 C ATOM 872 CG ASN A 56 5.189 6.197 -0.630 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.984 7.137 -0.654 1.00 0.00 O ATOM 874 ND2 ASN A 56 5.514 4.997 -0.165 1.00 0.00 N ATOM 0 H ASN A 56 2.350 7.359 0.625 1.00 0.00 H new ATOM 0 HA ASN A 56 4.213 8.464 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.091 5.794 -0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.697 5.943 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.454 4.826 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.823 4.246 -0.164 1.00 0.00 H new ATOM 881 N LEU A 57 1.275 7.501 -2.416 1.00 0.00 N ATOM 882 CA LEU A 57 0.354 7.670 -3.534 1.00 0.00 C ATOM 883 C LEU A 57 -0.005 9.141 -3.722 1.00 0.00 C ATOM 884 O LEU A 57 -0.136 9.619 -4.849 1.00 0.00 O ATOM 885 CB LEU A 57 -0.916 6.847 -3.308 1.00 0.00 C ATOM 886 CG LEU A 57 -1.625 7.100 -1.976 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.623 8.239 -2.110 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.318 5.834 -1.495 1.00 0.00 C ATOM 0 H LEU A 57 0.924 6.904 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 57 0.850 7.315 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.614 7.055 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.661 5.789 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.878 7.386 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.117 8.404 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.100 9.147 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.368 7.983 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.818 6.031 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.054 5.519 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.579 5.044 -1.359 1.00 0.00 H new ATOM 900 N ALA A 58 -0.161 9.853 -2.610 1.00 0.00 N ATOM 901 CA ALA A 58 -0.503 11.269 -2.653 1.00 0.00 C ATOM 902 C ALA A 58 0.559 12.065 -3.404 1.00 0.00 C ATOM 903 O ALA A 58 0.255 12.778 -4.362 1.00 0.00 O ATOM 904 CB ALA A 58 -0.674 11.813 -1.243 1.00 0.00 C ATOM 0 H ALA A 58 -0.056 9.472 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.447 11.375 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.929 12.872 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.472 11.269 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.257 11.688 -0.690 1.00 0.00 H new ATOM 910 N ALA A 59 1.807 11.936 -2.966 1.00 0.00 N ATOM 911 CA ALA A 59 2.915 12.640 -3.599 1.00 0.00 C ATOM 912 C ALA A 59 3.079 12.202 -5.049 1.00 0.00 C ATOM 913 O ALA A 59 3.409 13.008 -5.918 1.00 0.00 O ATOM 914 CB ALA A 59 4.202 12.405 -2.823 1.00 0.00 C ATOM 0 H ALA A 59 2.076 11.350 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 59 2.692 13.707 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.021 12.937 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.084 12.771 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.424 11.338 -2.802 1.00 0.00 H new ATOM 920 N LEU A 60 2.843 10.919 -5.303 1.00 0.00 N ATOM 921 CA LEU A 60 2.960 10.373 -6.650 1.00 0.00 C ATOM 922 C LEU A 60 1.912 10.984 -7.573 1.00 0.00 C ATOM 923 O LEU A 60 2.144 11.148 -8.771 1.00 0.00 O ATOM 924 CB LEU A 60 2.807 8.850 -6.620 1.00 0.00 C ATOM 925 CG LEU A 60 2.825 8.170 -7.990 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.252 8.037 -8.500 1.00 0.00 C ATOM 927 CD2 LEU A 60 2.154 6.807 -7.916 1.00 0.00 C ATOM 0 H LEU A 60 2.570 10.238 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 60 3.949 10.623 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.610 8.431 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.869 8.604 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 60 2.267 8.790 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.246 7.551 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.700 9.027 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.834 7.438 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.176 6.337 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.685 6.178 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.120 6.928 -7.594 1.00 0.00 H new ATOM 939 N ARG A 61 0.758 11.322 -7.007 1.00 0.00 N ATOM 940 CA ARG A 61 -0.327 11.918 -7.777 1.00 0.00 C ATOM 941 C ARG A 61 0.007 13.357 -8.159 1.00 0.00 C ATOM 942 O ARG A 61 -0.210 13.773 -9.296 1.00 0.00 O ATOM 943 CB ARG A 61 -1.631 11.880 -6.977 1.00 0.00 C ATOM 944 CG ARG A 61 -2.479 10.649 -7.254 1.00 0.00 C ATOM 945 CD ARG A 61 -3.752 10.651 -6.424 1.00 0.00 C ATOM 946 NE ARG A 61 -4.489 11.906 -6.553 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.522 12.242 -5.783 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.942 11.421 -4.829 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.136 13.403 -5.968 1.00 0.00 N ATOM 0 H ARG A 61 0.550 11.193 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.454 11.337 -8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.396 11.917 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.214 12.772 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.734 10.612 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.901 9.751 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.389 9.823 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.502 10.484 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.195 12.563 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.473 10.527 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.734 11.684 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.817 14.038 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.927 13.661 -5.379 1.00 0.00 H new ATOM 963 N HIS A 62 0.534 14.111 -7.200 1.00 0.00 N ATOM 964 CA HIS A 62 0.898 15.505 -7.436 1.00 0.00 C ATOM 965 C HIS A 62 2.206 15.608 -8.216 1.00 0.00 C ATOM 966 O HIS A 62 2.434 16.580 -8.936 1.00 0.00 O ATOM 967 CB HIS A 62 1.025 16.251 -6.106 1.00 0.00 C ATOM 968 CG HIS A 62 0.967 17.740 -6.247 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.012 18.518 -5.627 1.00 0.00 N ATOM 970 CD2 HIS A 62 1.753 18.596 -6.942 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.212 19.787 -5.935 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.263 19.861 -6.731 1.00 0.00 N ATOM 0 H HIS A 62 0.719 13.781 -6.253 1.00 0.00 H new ATOM 0 HA HIS A 62 0.108 15.963 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.227 15.926 -5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.968 15.976 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.606 18.333 -7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.383 20.622 -5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.648 20.719 -7.125 1.00 0.00 H new ATOM 981 N ALA A 63 3.063 14.604 -8.065 1.00 0.00 N ATOM 982 CA ALA A 63 4.351 14.585 -8.750 1.00 0.00 C ATOM 983 C ALA A 63 4.179 14.657 -10.265 1.00 0.00 C ATOM 984 O ALA A 63 5.055 15.152 -10.974 1.00 0.00 O ATOM 985 CB ALA A 63 5.133 13.338 -8.366 1.00 0.00 C ATOM 0 H ALA A 63 2.889 13.791 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 63 4.910 15.467 -8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.092 13.336 -8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.302 13.332 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.566 12.451 -8.649 1.00 0.00 H new ATOM 991 N VAL A 64 3.049 14.157 -10.757 1.00 0.00 N ATOM 992 CA VAL A 64 2.772 14.165 -12.190 1.00 0.00 C ATOM 993 C VAL A 64 2.851 15.578 -12.763 1.00 0.00 C ATOM 994 O VAL A 64 3.183 15.765 -13.933 1.00 0.00 O ATOM 995 CB VAL A 64 1.382 13.573 -12.497 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.290 12.140 -11.996 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.284 14.430 -11.884 1.00 0.00 C ATOM 0 H VAL A 64 2.312 13.742 -10.186 1.00 0.00 H new ATOM 0 HA VAL A 64 3.535 13.545 -12.661 1.00 0.00 H new ATOM 0 HB VAL A 64 1.243 13.567 -13.578 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.302 11.738 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.049 11.533 -12.489 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.452 12.120 -10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.688 13.994 -12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.417 14.473 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.336 15.438 -12.296 1.00 0.00 H new ATOM 1007 N GLU A 65 2.542 16.567 -11.931 1.00 0.00 N ATOM 1008 CA GLU A 65 2.577 17.962 -12.355 1.00 0.00 C ATOM 1009 C GLU A 65 4.014 18.448 -12.521 1.00 0.00 C ATOM 1010 O GLU A 65 4.289 19.335 -13.329 1.00 0.00 O ATOM 1011 CB GLU A 65 1.839 18.841 -11.342 1.00 0.00 C ATOM 1012 CG GLU A 65 0.493 19.342 -11.839 1.00 0.00 C ATOM 1013 CD GLU A 65 0.239 20.792 -11.475 1.00 0.00 C ATOM 1014 OE1 GLU A 65 1.157 21.619 -11.658 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -0.876 21.100 -11.006 1.00 0.00 O ATOM 0 H GLU A 65 2.265 16.428 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 65 2.078 18.035 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.690 18.275 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.466 19.697 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.445 19.230 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.299 18.722 -11.419 1.00 0.00 H new ATOM 1022 N GLN A 66 4.926 17.866 -11.749 1.00 0.00 N ATOM 1023 CA GLN A 66 6.334 18.245 -11.813 1.00 0.00 C ATOM 1024 C GLN A 66 7.104 17.363 -12.796 1.00 0.00 C ATOM 1025 O GLN A 66 8.335 17.356 -12.799 1.00 0.00 O ATOM 1026 CB GLN A 66 6.968 18.156 -10.422 1.00 0.00 C ATOM 1027 CG GLN A 66 7.181 19.509 -9.763 1.00 0.00 C ATOM 1028 CD GLN A 66 6.141 19.811 -8.701 1.00 0.00 C ATOM 1029 OE1 GLN A 66 5.169 20.523 -8.952 1.00 0.00 O ATOM 1030 NE2 GLN A 66 6.343 19.269 -7.506 1.00 0.00 N ATOM 0 H GLN A 66 4.716 17.132 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 66 6.388 19.274 -12.169 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.333 17.545 -9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.927 17.645 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.173 19.538 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.154 20.288 -10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.163 18.685 -7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.678 19.437 -6.751 1.00 0.00 H new ATOM 1039 N GLN A 67 6.377 16.622 -13.630 1.00 0.00 N ATOM 1040 CA GLN A 67 7.001 15.743 -14.614 1.00 0.00 C ATOM 1041 C GLN A 67 7.981 14.780 -13.946 1.00 0.00 C ATOM 1042 O GLN A 67 9.117 14.623 -14.393 1.00 0.00 O ATOM 1043 CB GLN A 67 7.724 16.570 -15.679 1.00 0.00 C ATOM 1044 CG GLN A 67 6.805 17.500 -16.455 1.00 0.00 C ATOM 1045 CD GLN A 67 5.764 16.751 -17.263 1.00 0.00 C ATOM 1046 OE1 GLN A 67 5.943 16.512 -18.458 1.00 0.00 O ATOM 1047 NE2 GLN A 67 4.667 16.376 -16.615 1.00 0.00 N ATOM 0 H GLN A 67 5.357 16.613 -13.643 1.00 0.00 H new ATOM 0 HA GLN A 67 6.215 15.156 -15.090 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.505 17.161 -15.200 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.218 15.895 -16.378 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.304 18.173 -15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.402 18.120 -17.124 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.560 16.595 -15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.932 15.869 -17.108 1.00 0.00 H new ATOM 1056 N GLN A 68 7.532 14.139 -12.872 1.00 0.00 N ATOM 1057 CA GLN A 68 8.366 13.193 -12.141 1.00 0.00 C ATOM 1058 C GLN A 68 8.074 11.760 -12.575 1.00 0.00 C ATOM 1059 O GLN A 68 8.076 10.840 -11.756 1.00 0.00 O ATOM 1060 CB GLN A 68 8.139 13.337 -10.635 1.00 0.00 C ATOM 1061 CG GLN A 68 8.273 14.765 -10.133 1.00 0.00 C ATOM 1062 CD GLN A 68 8.469 14.838 -8.631 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.773 13.836 -7.984 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.295 16.028 -8.068 1.00 0.00 N ATOM 0 H GLN A 68 6.594 14.258 -12.489 1.00 0.00 H new ATOM 0 HA GLN A 68 9.408 13.417 -12.368 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.144 12.966 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.854 12.706 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.117 15.243 -10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.381 15.328 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.043 16.832 -8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.413 16.138 -7.061 1.00 0.00 H new ATOM 1073 N LEU A 69 7.820 11.577 -13.867 1.00 0.00 N ATOM 1074 CA LEU A 69 7.523 10.256 -14.411 1.00 0.00 C ATOM 1075 C LEU A 69 8.595 9.238 -14.018 1.00 0.00 C ATOM 1076 O LEU A 69 8.277 8.151 -13.535 1.00 0.00 O ATOM 1077 CB LEU A 69 7.394 10.325 -15.935 1.00 0.00 C ATOM 1078 CG LEU A 69 5.990 10.642 -16.452 1.00 0.00 C ATOM 1079 CD1 LEU A 69 4.977 9.659 -15.886 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.604 12.070 -16.098 1.00 0.00 C ATOM 0 H LEU A 69 7.814 12.328 -14.558 1.00 0.00 H new ATOM 0 HA LEU A 69 6.574 9.926 -13.988 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.082 11.083 -16.309 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.712 9.371 -16.355 1.00 0.00 H new ATOM 0 HG LEU A 69 5.992 10.544 -17.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.984 9.901 -16.265 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.244 8.646 -16.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.976 9.724 -14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.602 12.280 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.619 12.193 -15.015 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.314 12.762 -16.552 1.00 0.00 H new ATOM 1092 N PRO A 70 9.884 9.574 -14.215 1.00 0.00 N ATOM 1093 CA PRO A 70 10.991 8.675 -13.871 1.00 0.00 C ATOM 1094 C PRO A 70 10.894 8.160 -12.439 1.00 0.00 C ATOM 1095 O PRO A 70 11.290 7.032 -12.145 1.00 0.00 O ATOM 1096 CB PRO A 70 12.231 9.556 -14.036 1.00 0.00 C ATOM 1097 CG PRO A 70 11.828 10.599 -15.018 1.00 0.00 C ATOM 1098 CD PRO A 70 10.364 10.849 -14.783 1.00 0.00 C ATOM 0 HA PRO A 70 10.999 7.783 -14.497 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.530 10.001 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.081 8.978 -14.399 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.407 11.512 -14.877 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.007 10.263 -16.039 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.204 11.680 -14.096 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.845 11.096 -15.709 1.00 0.00 H new ATOM 1106 N GLN A 71 10.364 8.995 -11.551 1.00 0.00 N ATOM 1107 CA GLN A 71 10.213 8.627 -10.148 1.00 0.00 C ATOM 1108 C GLN A 71 9.010 7.709 -9.946 1.00 0.00 C ATOM 1109 O GLN A 71 8.959 6.941 -8.986 1.00 0.00 O ATOM 1110 CB GLN A 71 10.063 9.881 -9.285 1.00 0.00 C ATOM 1111 CG GLN A 71 11.389 10.511 -8.892 1.00 0.00 C ATOM 1112 CD GLN A 71 11.368 12.024 -8.991 1.00 0.00 C ATOM 1113 OE1 GLN A 71 11.001 12.715 -8.041 1.00 0.00 O ATOM 1114 NE2 GLN A 71 11.763 12.547 -10.146 1.00 0.00 N ATOM 0 H GLN A 71 10.032 9.932 -11.779 1.00 0.00 H new ATOM 0 HA GLN A 71 11.110 8.087 -9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.468 10.616 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.509 9.626 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.636 10.221 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.178 10.119 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.059 11.936 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.770 13.559 -10.272 1.00 0.00 H new ATOM 1123 N VAL A 72 8.044 7.794 -10.856 1.00 0.00 N ATOM 1124 CA VAL A 72 6.843 6.970 -10.774 1.00 0.00 C ATOM 1125 C VAL A 72 7.195 5.484 -10.784 1.00 0.00 C ATOM 1126 O VAL A 72 6.478 4.664 -10.211 1.00 0.00 O ATOM 1127 CB VAL A 72 5.874 7.269 -11.936 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.613 6.425 -11.818 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.527 8.750 -11.974 1.00 0.00 C ATOM 0 H VAL A 72 8.070 8.424 -11.658 1.00 0.00 H new ATOM 0 HA VAL A 72 6.352 7.217 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 72 6.371 7.008 -12.871 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.944 6.652 -12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.879 5.368 -11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.112 6.649 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.842 8.942 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.053 9.037 -11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.437 9.333 -12.114 1.00 0.00 H new ATOM 1139 N ALA A 73 8.301 5.146 -11.438 1.00 0.00 N ATOM 1140 CA ALA A 73 8.745 3.759 -11.520 1.00 0.00 C ATOM 1141 C ALA A 73 9.029 3.190 -10.134 1.00 0.00 C ATOM 1142 O ALA A 73 8.510 2.136 -9.767 1.00 0.00 O ATOM 1143 CB ALA A 73 9.981 3.652 -12.401 1.00 0.00 C ATOM 0 H ALA A 73 8.906 5.812 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 73 7.942 3.172 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.302 2.612 -12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.746 4.010 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.783 4.258 -11.978 1.00 0.00 H new ATOM 1149 N TRP A 74 9.856 3.895 -9.369 1.00 0.00 N ATOM 1150 CA TRP A 74 10.210 3.460 -8.023 1.00 0.00 C ATOM 1151 C TRP A 74 8.999 3.522 -7.096 1.00 0.00 C ATOM 1152 O TRP A 74 8.706 2.568 -6.376 1.00 0.00 O ATOM 1153 CB TRP A 74 11.341 4.326 -7.465 1.00 0.00 C ATOM 1154 CG TRP A 74 12.408 3.535 -6.771 1.00 0.00 C ATOM 1155 CD1 TRP A 74 13.037 2.419 -7.241 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.971 3.801 -5.481 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.957 1.974 -6.323 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.935 2.805 -5.234 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.753 4.784 -4.512 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.680 2.766 -4.057 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.493 4.743 -3.344 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.446 3.741 -3.126 1.00 0.00 C ATOM 0 H TRP A 74 10.293 4.770 -9.658 1.00 0.00 H new ATOM 0 HA TRP A 74 10.549 2.426 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.791 4.893 -8.280 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.923 5.050 -6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.840 1.953 -8.195 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.559 1.158 -6.434 1.00 0.00 H new ATOM 0 HE3 TRP A 74 12.020 5.561 -4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.416 1.994 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.333 5.497 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 74 15.008 3.737 -2.204 1.00 0.00 H new ATOM 1173 N LEU A 75 8.300 4.652 -7.121 1.00 0.00 N ATOM 1174 CA LEU A 75 7.121 4.839 -6.283 1.00 0.00 C ATOM 1175 C LEU A 75 6.056 3.796 -6.604 1.00 0.00 C ATOM 1176 O LEU A 75 5.319 3.354 -5.723 1.00 0.00 O ATOM 1177 CB LEU A 75 6.549 6.245 -6.479 1.00 0.00 C ATOM 1178 CG LEU A 75 7.312 7.360 -5.757 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.613 8.507 -6.710 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.521 7.857 -4.556 1.00 0.00 C ATOM 0 H LEU A 75 8.529 5.451 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 75 7.422 4.718 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.532 6.469 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.515 6.251 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 75 8.258 6.953 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.155 9.289 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.221 8.142 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.679 8.913 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.078 8.649 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.559 8.246 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.358 7.033 -3.861 1.00 0.00 H new ATOM 1192 N ALA A 76 5.981 3.407 -7.873 1.00 0.00 N ATOM 1193 CA ALA A 76 5.007 2.415 -8.311 1.00 0.00 C ATOM 1194 C ALA A 76 5.326 1.041 -7.733 1.00 0.00 C ATOM 1195 O ALA A 76 4.437 0.336 -7.254 1.00 0.00 O ATOM 1196 CB ALA A 76 4.963 2.354 -9.831 1.00 0.00 C ATOM 0 H ALA A 76 6.583 3.764 -8.615 1.00 0.00 H new ATOM 0 HA ALA A 76 4.027 2.716 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.231 1.609 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.680 3.329 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.946 2.080 -10.213 1.00 0.00 H new ATOM 1202 N GLU A 77 6.600 0.666 -7.780 1.00 0.00 N ATOM 1203 CA GLU A 77 7.037 -0.624 -7.259 1.00 0.00 C ATOM 1204 C GLU A 77 6.783 -0.717 -5.757 1.00 0.00 C ATOM 1205 O GLU A 77 6.305 -1.736 -5.260 1.00 0.00 O ATOM 1206 CB GLU A 77 8.523 -0.841 -7.555 1.00 0.00 C ATOM 1207 CG GLU A 77 8.780 -1.757 -8.740 1.00 0.00 C ATOM 1208 CD GLU A 77 10.229 -2.191 -8.838 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.679 -2.959 -7.963 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.914 -1.762 -9.791 1.00 0.00 O ATOM 0 H GLU A 77 7.348 1.237 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 77 6.460 -1.404 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.992 0.125 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.003 -1.261 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.145 -2.639 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.495 -1.245 -9.659 1.00 0.00 H new ATOM 1217 N HIS A 78 7.107 0.355 -5.041 1.00 0.00 N ATOM 1218 CA HIS A 78 6.914 0.395 -3.596 1.00 0.00 C ATOM 1219 C HIS A 78 5.430 0.374 -3.245 1.00 0.00 C ATOM 1220 O HIS A 78 4.992 -0.414 -2.406 1.00 0.00 O ATOM 1221 CB HIS A 78 7.573 1.645 -3.008 1.00 0.00 C ATOM 1222 CG HIS A 78 8.308 1.389 -1.729 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.326 2.199 -1.271 1.00 0.00 N ATOM 1224 CD2 HIS A 78 8.168 0.406 -0.808 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.781 1.725 -0.125 1.00 0.00 C ATOM 1226 NE2 HIS A 78 9.095 0.638 0.178 1.00 0.00 N ATOM 0 H HIS A 78 7.504 1.207 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 78 7.382 -0.490 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.267 2.058 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.808 2.401 -2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.459 -0.408 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.578 2.154 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.232 0.064 1.010 1.00 0.00 H new ATOM 1235 N LEU A 79 4.661 1.244 -3.892 1.00 0.00 N ATOM 1236 CA LEU A 79 3.226 1.324 -3.648 1.00 0.00 C ATOM 1237 C LEU A 79 2.544 0.000 -3.976 1.00 0.00 C ATOM 1238 O LEU A 79 1.750 -0.513 -3.188 1.00 0.00 O ATOM 1239 CB LEU A 79 2.608 2.450 -4.480 1.00 0.00 C ATOM 1240 CG LEU A 79 2.593 3.822 -3.803 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.643 4.931 -4.842 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.360 3.967 -2.923 1.00 0.00 C ATOM 0 H LEU A 79 5.008 1.903 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 79 3.074 1.538 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.157 2.531 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.584 2.175 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 79 3.478 3.905 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.631 5.899 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.556 4.837 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.778 4.852 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.365 4.948 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.463 3.863 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.368 3.193 -2.155 1.00 0.00 H new ATOM 1254 N ALA A 80 2.860 -0.549 -5.145 1.00 0.00 N ATOM 1255 CA ALA A 80 2.279 -1.814 -5.576 1.00 0.00 C ATOM 1256 C ALA A 80 2.619 -2.935 -4.600 1.00 0.00 C ATOM 1257 O ALA A 80 1.756 -3.730 -4.227 1.00 0.00 O ATOM 1258 CB ALA A 80 2.761 -2.166 -6.976 1.00 0.00 C ATOM 0 H ALA A 80 3.515 -0.137 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 80 1.195 -1.700 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.319 -3.113 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.462 -1.382 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.847 -2.255 -6.975 1.00 0.00 H new ATOM 1264 N ALA A 81 3.882 -2.992 -4.190 1.00 0.00 N ATOM 1265 CA ALA A 81 4.336 -4.014 -3.256 1.00 0.00 C ATOM 1266 C ALA A 81 3.684 -3.837 -1.889 1.00 0.00 C ATOM 1267 O ALA A 81 3.347 -4.814 -1.220 1.00 0.00 O ATOM 1268 CB ALA A 81 5.852 -3.975 -3.128 1.00 0.00 C ATOM 0 H ALA A 81 4.609 -2.342 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 81 4.039 -4.987 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.178 -4.744 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.304 -4.157 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.161 -2.996 -2.762 1.00 0.00 H new ATOM 1274 N GLN A 82 3.507 -2.585 -1.482 1.00 0.00 N ATOM 1275 CA GLN A 82 2.894 -2.278 -0.195 1.00 0.00 C ATOM 1276 C GLN A 82 1.476 -2.835 -0.123 1.00 0.00 C ATOM 1277 O GLN A 82 1.125 -3.546 0.819 1.00 0.00 O ATOM 1278 CB GLN A 82 2.873 -0.766 0.036 1.00 0.00 C ATOM 1279 CG GLN A 82 4.109 -0.242 0.749 1.00 0.00 C ATOM 1280 CD GLN A 82 4.358 1.229 0.479 1.00 0.00 C ATOM 1281 OE1 GLN A 82 5.175 1.586 -0.370 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.653 2.091 1.202 1.00 0.00 N ATOM 0 H GLN A 82 3.780 -1.766 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 82 3.491 -2.749 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.777 -0.261 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.990 -0.508 0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.998 -0.397 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.978 -0.818 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.987 1.750 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.778 3.094 1.064 1.00 0.00 H new ATOM 1291 N LEU A 83 0.665 -2.508 -1.124 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.715 -2.976 -1.174 1.00 0.00 C ATOM 1293 C LEU A 83 -0.769 -4.498 -1.261 1.00 0.00 C ATOM 1294 O LEU A 83 -1.675 -5.129 -0.716 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.442 -2.359 -2.371 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.934 -2.100 -2.159 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.400 -0.934 -3.016 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.741 -3.351 -2.473 1.00 0.00 C ATOM 0 H LEU A 83 0.940 -1.921 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.212 -2.664 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.958 -1.416 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.322 -3.020 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.094 -1.841 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.464 -0.764 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.843 -0.037 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.227 -1.163 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.801 -3.149 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.576 -3.640 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.426 -4.162 -1.816 1.00 0.00 H new ATOM 1310 N GLU A 84 0.207 -5.081 -1.948 1.00 0.00 N ATOM 1311 CA GLU A 84 0.273 -6.529 -2.106 1.00 0.00 C ATOM 1312 C GLU A 84 0.657 -7.201 -0.792 1.00 0.00 C ATOM 1313 O GLU A 84 0.104 -8.238 -0.428 1.00 0.00 O ATOM 1314 CB GLU A 84 1.280 -6.898 -3.196 1.00 0.00 C ATOM 1315 CG GLU A 84 0.850 -8.082 -4.047 1.00 0.00 C ATOM 1316 CD GLU A 84 1.849 -8.407 -5.140 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.753 -7.804 -6.230 1.00 0.00 O ATOM 1318 OE2 GLU A 84 2.727 -9.264 -4.907 1.00 0.00 O ATOM 0 H GLU A 84 0.964 -4.572 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.715 -6.884 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.436 -6.034 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.239 -7.125 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.719 -8.955 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.119 -7.868 -4.497 1.00 0.00 H new ATOM 1325 N ALA A 85 1.609 -6.601 -0.084 1.00 0.00 N ATOM 1326 CA ALA A 85 2.067 -7.140 1.190 1.00 0.00 C ATOM 1327 C ALA A 85 0.948 -7.126 2.225 1.00 0.00 C ATOM 1328 O ALA A 85 0.760 -8.093 2.964 1.00 0.00 O ATOM 1329 CB ALA A 85 3.265 -6.350 1.696 1.00 0.00 C ATOM 0 H ALA A 85 2.077 -5.742 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 85 2.368 -8.176 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.597 -6.763 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.076 -6.414 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.981 -5.306 1.832 1.00 0.00 H new ATOM 1335 N ILE A 86 0.206 -6.025 2.272 1.00 0.00 N ATOM 1336 CA ILE A 86 -0.897 -5.885 3.215 1.00 0.00 C ATOM 1337 C ILE A 86 -2.014 -6.874 2.899 1.00 0.00 C ATOM 1338 O ILE A 86 -2.561 -7.516 3.795 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.471 -4.455 3.202 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.350 -3.428 3.377 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.518 -4.293 4.294 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.587 -2.141 2.617 1.00 0.00 C ATOM 0 H ILE A 86 0.349 -5.216 1.667 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.496 -6.096 4.207 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.949 -4.282 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.239 -3.200 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.591 -3.868 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.913 -3.277 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.329 -5.002 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.063 -4.483 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.247 -1.459 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.668 -2.357 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.511 -1.678 2.964 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.346 -6.992 1.617 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.396 -7.904 1.181 1.00 0.00 C ATOM 1356 C ALA A 87 -3.001 -9.355 1.434 1.00 0.00 C ATOM 1357 O ALA A 87 -3.852 -10.203 1.702 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.704 -7.687 -0.293 1.00 0.00 C ATOM 0 H ALA A 87 -1.903 -6.467 0.863 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.293 -7.693 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.490 -8.375 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.037 -6.661 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.806 -7.870 -0.883 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.704 -9.632 1.347 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.195 -10.981 1.566 1.00 0.00 C ATOM 1366 C ARG A 88 -1.394 -11.407 3.018 1.00 0.00 C ATOM 1367 O ARG A 88 -1.918 -12.486 3.292 1.00 0.00 O ATOM 1368 CB ARG A 88 0.289 -11.054 1.199 1.00 0.00 C ATOM 1369 CG ARG A 88 0.670 -12.326 0.459 1.00 0.00 C ATOM 1370 CD ARG A 88 2.026 -12.195 -0.216 1.00 0.00 C ATOM 1371 NE ARG A 88 2.002 -12.684 -1.593 1.00 0.00 N ATOM 1372 CZ ARG A 88 1.786 -13.955 -1.924 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.577 -14.867 -0.984 1.00 0.00 N ATOM 1374 NH2 ARG A 88 1.779 -14.314 -3.201 1.00 0.00 N ATOM 0 H ARG A 88 -0.987 -8.941 1.127 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.754 -11.663 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.545 -10.193 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.884 -10.981 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.690 -13.162 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.089 -12.554 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.335 -11.150 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.770 -12.752 0.354 1.00 0.00 H new ATOM 0 HE ARG A 88 2.160 -12.012 -2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.581 -14.596 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.412 -15.839 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.939 -13.616 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.614 -15.288 -3.456 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.973 -10.550 3.943 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.106 -10.837 5.366 1.00 0.00 C ATOM 1390 C GLU A 89 -2.573 -10.995 5.754 1.00 0.00 C ATOM 1391 O GLU A 89 -2.947 -11.952 6.431 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.465 -9.722 6.195 1.00 0.00 C ATOM 1393 CG GLU A 89 1.040 -9.615 6.009 1.00 0.00 C ATOM 1394 CD GLU A 89 1.757 -9.209 7.281 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.808 -10.029 8.221 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.267 -8.070 7.337 1.00 0.00 O ATOM 0 H GLU A 89 -0.537 -9.652 3.732 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.591 -11.775 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.925 -8.771 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.681 -9.894 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.429 -10.574 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.255 -8.887 5.227 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.400 -10.049 5.319 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.825 -10.084 5.619 1.00 0.00 C ATOM 1405 C ALA A 90 -5.477 -11.331 5.032 1.00 0.00 C ATOM 1406 O ALA A 90 -6.401 -11.895 5.619 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.507 -8.830 5.091 1.00 0.00 C ATOM 0 H ALA A 90 -3.107 -9.249 4.758 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.943 -10.119 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.571 -8.870 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.066 -7.951 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.372 -8.770 4.011 1.00 0.00 H new