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= -1.13 K(o=-5.1,f=-10!) USER MOD Set 1.2: A 78 HIS : no HD1:sc= -1.55 K(o=-5.1,f=-7.2!) USER MOD Set 1.3: A 82 GLN : amide:sc= -2.4 K(o=-5.1,f=-6!) USER MOD Single : A 13 GLN : amide:sc= -0.0994 K(o=-0.099,f=-2.5!) USER MOD Single : A 16 THR OG1 : rot 79:sc= 0.0173 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.909 K(o=-0.91,f=-3.6!) 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= -0.0519 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 47 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.8!) USER MOD Single : A 49 CYS SG : rot -10:sc= -0.338 USER MOD Single : A 56 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.4!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.032) USER MOD Single : A 68 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.7) USER MOD Single : A 71 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -8.788 1.234 -5.242 1.00 0.00 N ATOM 192 CA GLY A 12 -10.079 0.755 -4.783 1.00 0.00 C ATOM 193 C GLY A 12 -9.970 -0.108 -3.541 1.00 0.00 C ATOM 194 O GLY A 12 -10.721 0.074 -2.583 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.726 1.607 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.554 0.182 -5.579 1.00 0.00 H new ATOM 198 N GLN A 13 -9.033 -1.049 -3.558 1.00 0.00 N ATOM 199 CA GLN A 13 -8.828 -1.944 -2.425 1.00 0.00 C ATOM 200 C GLN A 13 -8.312 -1.178 -1.211 1.00 0.00 C ATOM 201 O GLN A 13 -8.756 -1.405 -0.086 1.00 0.00 O ATOM 202 CB GLN A 13 -7.845 -3.056 -2.798 1.00 0.00 C ATOM 203 CG GLN A 13 -8.205 -4.409 -2.207 1.00 0.00 C ATOM 204 CD GLN A 13 -7.731 -4.565 -0.775 1.00 0.00 C ATOM 205 OE1 GLN A 13 -8.448 -4.233 0.168 1.00 0.00 O ATOM 206 NE2 GLN A 13 -6.515 -5.072 -0.606 1.00 0.00 N ATOM 0 H GLN A 13 -8.403 -1.212 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.789 -2.389 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.802 -3.143 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.847 -2.776 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.286 -4.541 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.766 -5.197 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.954 -5.334 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.142 -5.199 0.335 1.00 0.00 H new ATOM 215 N LEU A 14 -7.372 -0.269 -1.448 1.00 0.00 N ATOM 216 CA LEU A 14 -6.795 0.531 -0.373 1.00 0.00 C ATOM 217 C LEU A 14 -7.844 1.453 0.242 1.00 0.00 C ATOM 218 O LEU A 14 -7.849 1.684 1.451 1.00 0.00 O ATOM 219 CB LEU A 14 -5.616 1.355 -0.899 1.00 0.00 C ATOM 220 CG LEU A 14 -4.234 0.824 -0.516 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.155 1.492 -1.354 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.973 1.044 0.967 1.00 0.00 C ATOM 0 H LEU A 14 -6.994 -0.068 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.437 -0.148 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.682 1.403 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.712 2.376 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.208 -0.247 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.178 1.102 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.333 1.285 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.179 2.569 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.985 0.661 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.018 2.110 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.729 0.519 1.551 1.00 0.00 H new ATOM 234 N ALA A 15 -8.730 1.977 -0.598 1.00 0.00 N ATOM 235 CA ALA A 15 -9.782 2.874 -0.136 1.00 0.00 C ATOM 236 C ALA A 15 -10.728 2.163 0.826 1.00 0.00 C ATOM 237 O ALA A 15 -10.992 2.650 1.926 1.00 0.00 O ATOM 238 CB ALA A 15 -10.553 3.436 -1.321 1.00 0.00 C ATOM 0 H ALA A 15 -8.740 1.796 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.313 3.698 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.336 4.104 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.873 3.989 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.004 2.618 -1.883 1.00 0.00 H new ATOM 244 N THR A 16 -11.237 1.010 0.404 1.00 0.00 N ATOM 245 CA THR A 16 -12.155 0.233 1.228 1.00 0.00 C ATOM 246 C THR A 16 -11.441 -0.346 2.445 1.00 0.00 C ATOM 247 O THR A 16 -12.030 -0.480 3.517 1.00 0.00 O ATOM 248 CB THR A 16 -12.781 -0.894 0.405 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.406 -0.380 -0.757 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.818 -1.688 1.170 1.00 0.00 C ATOM 0 H THR A 16 -11.029 0.593 -0.504 1.00 0.00 H new ATOM 0 HA THR A 16 -12.943 0.901 1.577 1.00 0.00 H new ATOM 0 HB THR A 16 -11.955 -1.557 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.727 -0.195 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.222 -2.471 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.356 -2.140 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.624 -1.025 1.485 1.00 0.00 H new ATOM 258 N LEU A 17 -10.169 -0.690 2.270 1.00 0.00 N ATOM 259 CA LEU A 17 -9.375 -1.257 3.355 1.00 0.00 C ATOM 260 C LEU A 17 -8.999 -0.186 4.374 1.00 0.00 C ATOM 261 O LEU A 17 -8.897 -0.462 5.569 1.00 0.00 O ATOM 262 CB LEU A 17 -8.111 -1.914 2.799 1.00 0.00 C ATOM 263 CG LEU A 17 -7.351 -2.796 3.791 1.00 0.00 C ATOM 264 CD1 LEU A 17 -7.883 -4.220 3.756 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.860 -2.774 3.488 1.00 0.00 C ATOM 0 H LEU A 17 -9.666 -0.586 1.389 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.979 -2.013 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.384 -2.518 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.440 -1.132 2.443 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.504 -2.398 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.330 -4.833 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.940 -4.220 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.761 -4.630 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.334 -3.407 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.688 -3.147 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.488 -1.752 3.565 1.00 0.00 H new ATOM 277 N ARG A 18 -8.791 1.035 3.893 1.00 0.00 N ATOM 278 CA ARG A 18 -8.424 2.146 4.764 1.00 0.00 C ATOM 279 C ARG A 18 -9.624 2.627 5.572 1.00 0.00 C ATOM 280 O ARG A 18 -9.480 3.075 6.709 1.00 0.00 O ATOM 281 CB ARG A 18 -7.854 3.302 3.938 1.00 0.00 C ATOM 282 CG ARG A 18 -7.108 4.333 4.769 1.00 0.00 C ATOM 283 CD ARG A 18 -7.985 5.532 5.087 1.00 0.00 C ATOM 284 NE ARG A 18 -7.233 6.606 5.732 1.00 0.00 N ATOM 285 CZ ARG A 18 -7.797 7.675 6.290 1.00 0.00 C ATOM 286 NH1 ARG A 18 -9.116 7.816 6.285 1.00 0.00 N ATOM 287 NH2 ARG A 18 -7.039 8.605 6.854 1.00 0.00 N ATOM 0 H ARG A 18 -8.870 1.280 2.906 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.662 1.792 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.179 2.900 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.669 3.795 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.765 3.875 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.220 4.663 4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.434 5.906 4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.802 5.221 5.737 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.216 6.532 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.703 7.103 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.543 8.637 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.024 8.501 6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.470 9.424 7.282 1.00 0.00 H new ATOM 301 N GLN A 19 -10.809 2.531 4.978 1.00 0.00 N ATOM 302 CA GLN A 19 -12.034 2.956 5.645 1.00 0.00 C ATOM 303 C GLN A 19 -12.482 1.922 6.674 1.00 0.00 C ATOM 304 O GLN A 19 -12.948 2.272 7.758 1.00 0.00 O ATOM 305 CB GLN A 19 -13.145 3.187 4.619 1.00 0.00 C ATOM 306 CG GLN A 19 -14.044 4.366 4.951 1.00 0.00 C ATOM 307 CD GLN A 19 -14.700 4.963 3.721 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.731 4.478 3.255 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.102 6.022 3.187 1.00 0.00 N ATOM 0 H GLN A 19 -10.947 2.163 4.037 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.828 3.892 6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.695 3.348 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.754 2.286 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.816 4.044 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.458 5.135 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.249 6.391 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.496 6.466 2.358 1.00 0.00 H new ATOM 318 N ARG A 20 -12.340 0.648 6.324 1.00 0.00 N ATOM 319 CA ARG A 20 -12.732 -0.438 7.215 1.00 0.00 C ATOM 320 C ARG A 20 -11.648 -0.711 8.254 1.00 0.00 C ATOM 321 O ARG A 20 -11.942 -0.951 9.424 1.00 0.00 O ATOM 322 CB ARG A 20 -13.016 -1.708 6.407 1.00 0.00 C ATOM 323 CG ARG A 20 -14.467 -2.155 6.466 1.00 0.00 C ATOM 324 CD ARG A 20 -14.666 -3.488 5.762 1.00 0.00 C ATOM 325 NE ARG A 20 -15.996 -4.043 6.004 1.00 0.00 N ATOM 326 CZ ARG A 20 -16.313 -5.320 5.802 1.00 0.00 C ATOM 327 NH1 ARG A 20 -15.402 -6.175 5.357 1.00 0.00 N ATOM 328 NH2 ARG A 20 -17.546 -5.742 6.047 1.00 0.00 N ATOM 0 H ARG A 20 -11.956 0.342 5.430 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.640 -0.137 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.740 -1.536 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.381 -2.513 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.781 -2.241 7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.101 -1.399 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.517 -3.357 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.911 -4.195 6.105 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.723 -3.416 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.452 -5.855 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.651 -7.152 5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.250 -5.088 6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.790 -6.720 5.893 1.00 0.00 H new ATOM 342 N CYS A 21 -10.393 -0.675 7.816 1.00 0.00 N ATOM 343 CA CYS A 21 -9.264 -0.923 8.707 1.00 0.00 C ATOM 344 C CYS A 21 -8.705 0.381 9.275 1.00 0.00 C ATOM 345 O CYS A 21 -7.609 0.400 9.836 1.00 0.00 O ATOM 346 CB CYS A 21 -8.162 -1.681 7.965 1.00 0.00 C ATOM 347 SG CYS A 21 -7.344 -2.951 8.958 1.00 0.00 S ATOM 0 H CYS A 21 -10.132 -0.477 6.850 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.623 -1.529 9.539 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.591 -2.148 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.414 -0.967 7.619 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.430 -3.538 8.244 1.00 0.00 H new ATOM 353 N ALA A 22 -9.458 1.469 9.129 1.00 0.00 N ATOM 354 CA ALA A 22 -9.025 2.769 9.632 1.00 0.00 C ATOM 355 C ALA A 22 -8.655 2.694 11.113 1.00 0.00 C ATOM 356 O ALA A 22 -7.509 2.944 11.487 1.00 0.00 O ATOM 357 CB ALA A 22 -10.111 3.811 9.406 1.00 0.00 C ATOM 0 H ALA A 22 -10.368 1.476 8.668 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.133 3.065 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.774 4.776 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.319 3.894 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.018 3.511 9.931 1.00 0.00 H new ATOM 363 N PRO A 23 -9.623 2.345 11.978 1.00 0.00 N ATOM 364 CA PRO A 23 -9.390 2.238 13.420 1.00 0.00 C ATOM 365 C PRO A 23 -8.639 0.962 13.790 1.00 0.00 C ATOM 366 O PRO A 23 -9.145 0.127 14.541 1.00 0.00 O ATOM 367 CB PRO A 23 -10.804 2.215 13.998 1.00 0.00 C ATOM 368 CG PRO A 23 -11.634 1.598 12.927 1.00 0.00 C ATOM 369 CD PRO A 23 -11.020 2.028 11.620 1.00 0.00 C ATOM 0 HA PRO A 23 -8.771 3.051 13.800 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.847 1.633 14.919 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.151 3.220 14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.640 0.512 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.670 1.929 12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.072 1.236 10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.533 2.894 11.202 1.00 0.00 H new ATOM 377 N VAL A 24 -7.431 0.816 13.256 1.00 0.00 N ATOM 378 CA VAL A 24 -6.612 -0.360 13.527 1.00 0.00 C ATOM 379 C VAL A 24 -5.380 -0.005 14.358 1.00 0.00 C ATOM 380 O VAL A 24 -4.756 -0.880 14.957 1.00 0.00 O ATOM 381 CB VAL A 24 -6.159 -1.039 12.219 1.00 0.00 C ATOM 382 CG1 VAL A 24 -5.295 -0.096 11.394 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.416 -2.333 12.516 1.00 0.00 C ATOM 0 H VAL A 24 -6.997 1.497 12.633 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.235 -1.052 14.094 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.046 -1.283 11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.986 -0.595 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.867 0.798 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.412 0.185 11.968 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.105 -2.797 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.537 -2.117 13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.073 -3.014 13.057 1.00 0.00 H new ATOM 393 N SER A 25 -5.032 1.279 14.390 1.00 0.00 N ATOM 394 CA SER A 25 -3.871 1.744 15.146 1.00 0.00 C ATOM 395 C SER A 25 -3.856 1.165 16.560 1.00 0.00 C ATOM 396 O SER A 25 -2.794 0.992 17.158 1.00 0.00 O ATOM 397 CB SER A 25 -3.860 3.272 15.212 1.00 0.00 C ATOM 398 OG SER A 25 -5.127 3.775 15.600 1.00 0.00 O ATOM 0 H SER A 25 -5.538 2.017 13.901 1.00 0.00 H new ATOM 0 HA SER A 25 -2.977 1.397 14.627 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.101 3.603 15.921 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.586 3.679 14.239 1.00 0.00 H new ATOM 0 HG SER A 25 -5.093 4.754 15.636 1.00 0.00 H new ATOM 404 N GLN A 26 -5.039 0.869 17.089 1.00 0.00 N ATOM 405 CA GLN A 26 -5.157 0.312 18.433 1.00 0.00 C ATOM 406 C GLN A 26 -4.398 -1.007 18.550 1.00 0.00 C ATOM 407 O GLN A 26 -3.587 -1.188 19.457 1.00 0.00 O ATOM 408 CB GLN A 26 -6.629 0.100 18.791 1.00 0.00 C ATOM 409 CG GLN A 26 -6.864 -0.152 20.271 1.00 0.00 C ATOM 410 CD GLN A 26 -6.602 1.076 21.121 1.00 0.00 C ATOM 411 OE1 GLN A 26 -5.483 1.589 21.163 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.635 1.555 21.803 1.00 0.00 N ATOM 0 H GLN A 26 -5.929 1.005 16.609 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.717 1.023 19.132 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.199 0.977 18.485 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.015 -0.745 18.221 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.893 -0.480 20.421 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.218 -0.964 20.604 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.545 1.098 21.739 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.519 2.380 22.391 1.00 0.00 H new ATOM 421 N PHE A 27 -4.669 -1.925 17.628 1.00 0.00 N ATOM 422 CA PHE A 27 -4.013 -3.229 17.630 1.00 0.00 C ATOM 423 C PHE A 27 -3.231 -3.452 16.339 1.00 0.00 C ATOM 424 O PHE A 27 -3.021 -4.590 15.919 1.00 0.00 O ATOM 425 CB PHE A 27 -5.047 -4.342 17.812 1.00 0.00 C ATOM 426 CG PHE A 27 -5.266 -4.730 19.246 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.630 -3.779 20.187 1.00 0.00 C ATOM 428 CD2 PHE A 27 -5.110 -6.045 19.654 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.832 -4.134 21.508 1.00 0.00 C ATOM 430 CE2 PHE A 27 -5.311 -6.405 20.972 1.00 0.00 C ATOM 431 CZ PHE A 27 -5.673 -5.448 21.901 1.00 0.00 C ATOM 0 H PHE A 27 -5.338 -1.791 16.870 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.312 -3.252 18.464 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.995 -4.019 17.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.726 -5.220 17.252 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.757 -2.750 19.885 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.828 -6.797 18.933 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.114 -3.384 22.232 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.185 -7.434 21.276 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.831 -5.727 22.932 1.00 0.00 H new ATOM 441 N ALA A 28 -2.806 -2.360 15.711 1.00 0.00 N ATOM 442 CA ALA A 28 -2.052 -2.439 14.467 1.00 0.00 C ATOM 443 C ALA A 28 -0.678 -3.061 14.692 1.00 0.00 C ATOM 444 O ALA A 28 0.113 -2.569 15.496 1.00 0.00 O ATOM 445 CB ALA A 28 -1.912 -1.057 13.847 1.00 0.00 C ATOM 0 H ALA A 28 -2.972 -1.410 16.044 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.602 -3.081 13.780 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.347 -1.131 12.918 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.901 -0.650 13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.388 -0.399 14.540 1.00 0.00 H new ATOM 451 N THR A 29 -0.402 -4.145 13.975 1.00 0.00 N ATOM 452 CA THR A 29 0.877 -4.836 14.094 1.00 0.00 C ATOM 453 C THR A 29 1.266 -5.490 12.772 1.00 0.00 C ATOM 454 O THR A 29 0.477 -6.223 12.174 1.00 0.00 O ATOM 455 CB THR A 29 0.812 -5.890 15.202 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.532 -6.223 15.500 1.00 0.00 O ATOM 457 CG2 THR A 29 1.471 -5.445 16.489 1.00 0.00 C ATOM 0 H THR A 29 -1.047 -4.564 13.305 1.00 0.00 H new ATOM 0 HA THR A 29 1.638 -4.099 14.351 1.00 0.00 H new ATOM 0 HB THR A 29 1.355 -6.752 14.813 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.552 -6.899 16.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.390 -6.238 17.232 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.523 -5.228 16.303 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.976 -4.548 16.860 1.00 0.00 H new ATOM 465 N LEU A 30 2.487 -5.221 12.320 1.00 0.00 N ATOM 466 CA LEU A 30 2.980 -5.784 11.069 1.00 0.00 C ATOM 467 C LEU A 30 3.841 -7.016 11.329 1.00 0.00 C ATOM 468 O LEU A 30 4.500 -7.118 12.363 1.00 0.00 O ATOM 469 CB LEU A 30 3.787 -4.738 10.297 1.00 0.00 C ATOM 470 CG LEU A 30 2.952 -3.739 9.494 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.811 -2.569 9.040 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.306 -4.424 8.299 1.00 0.00 C ATOM 0 H LEU A 30 3.153 -4.617 12.802 1.00 0.00 H new ATOM 0 HA LEU A 30 2.120 -6.083 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.407 -4.185 11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.463 -5.254 9.615 1.00 0.00 H new ATOM 0 HG LEU A 30 2.161 -3.354 10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.200 -1.869 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.226 -2.063 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.623 -2.936 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.716 -3.699 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.081 -4.837 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.658 -5.228 8.647 1.00 0.00 H new ATOM 484 N SER A 31 3.828 -7.951 10.383 1.00 0.00 N ATOM 485 CA SER A 31 4.607 -9.178 10.510 1.00 0.00 C ATOM 486 C SER A 31 6.086 -8.867 10.717 1.00 0.00 C ATOM 487 O SER A 31 6.562 -7.792 10.353 1.00 0.00 O ATOM 488 CB SER A 31 4.427 -10.050 9.266 1.00 0.00 C ATOM 489 OG SER A 31 3.164 -10.693 9.271 1.00 0.00 O ATOM 0 H SER A 31 3.287 -7.882 9.521 1.00 0.00 H new ATOM 0 HA SER A 31 4.244 -9.720 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.522 -9.436 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.219 -10.798 9.225 1.00 0.00 H new ATOM 0 HG SER A 31 3.074 -11.243 8.465 1.00 0.00 H new ATOM 495 N ALA A 32 6.809 -9.816 11.304 1.00 0.00 N ATOM 496 CA ALA A 32 8.234 -9.644 11.560 1.00 0.00 C ATOM 497 C ALA A 32 9.071 -9.979 10.326 1.00 0.00 C ATOM 498 O ALA A 32 10.297 -9.865 10.351 1.00 0.00 O ATOM 499 CB ALA A 32 8.663 -10.505 12.738 1.00 0.00 C ATOM 0 H ALA A 32 6.431 -10.712 11.611 1.00 0.00 H new ATOM 0 HA ALA A 32 8.405 -8.595 11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.729 -10.368 12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.103 -10.212 13.626 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.465 -11.553 12.514 1.00 0.00 H new ATOM 505 N ARG A 33 8.409 -10.392 9.248 1.00 0.00 N ATOM 506 CA ARG A 33 9.103 -10.739 8.013 1.00 0.00 C ATOM 507 C ARG A 33 9.113 -9.564 7.038 1.00 0.00 C ATOM 508 O ARG A 33 9.285 -9.748 5.833 1.00 0.00 O ATOM 509 CB ARG A 33 8.442 -11.954 7.358 1.00 0.00 C ATOM 510 CG ARG A 33 8.116 -13.071 8.336 1.00 0.00 C ATOM 511 CD ARG A 33 7.457 -14.249 7.637 1.00 0.00 C ATOM 512 NE ARG A 33 6.077 -13.958 7.257 1.00 0.00 N ATOM 513 CZ ARG A 33 5.257 -14.850 6.705 1.00 0.00 C ATOM 514 NH1 ARG A 33 5.673 -16.088 6.469 1.00 0.00 N ATOM 515 NH2 ARG A 33 4.016 -14.502 6.390 1.00 0.00 N ATOM 0 H ARG A 33 7.395 -10.494 9.206 1.00 0.00 H new ATOM 0 HA ARG A 33 10.135 -10.984 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.524 -11.635 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.103 -12.343 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.030 -13.403 8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.454 -12.692 9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.031 -14.510 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.476 -15.118 8.295 1.00 0.00 H new ATOM 0 HE ARG A 33 5.721 -13.017 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.626 -16.361 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.040 -16.767 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.691 -13.552 6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.387 -15.184 5.967 1.00 0.00 H new ATOM 529 N PHE A 34 8.929 -8.357 7.565 1.00 0.00 N ATOM 530 CA PHE A 34 8.917 -7.158 6.744 1.00 0.00 C ATOM 531 C PHE A 34 10.283 -6.914 6.111 1.00 0.00 C ATOM 532 O PHE A 34 11.317 -7.216 6.706 1.00 0.00 O ATOM 533 CB PHE A 34 8.509 -5.954 7.592 1.00 0.00 C ATOM 534 CG PHE A 34 9.505 -5.606 8.662 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.669 -4.923 8.347 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.278 -5.961 9.982 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.587 -4.601 9.329 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.192 -5.643 10.968 1.00 0.00 C ATOM 539 CZ PHE A 34 11.349 -4.962 10.640 1.00 0.00 C ATOM 0 H PHE A 34 8.786 -8.187 8.560 1.00 0.00 H new ATOM 0 HA PHE A 34 8.192 -7.298 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.372 -5.091 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.545 -6.158 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.861 -4.639 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.375 -6.493 10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.490 -4.067 9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.003 -5.926 11.993 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.066 -4.713 11.408 1.00 0.00 H new ATOM 549 N ASP A 35 10.280 -6.362 4.901 1.00 0.00 N ATOM 550 CA ASP A 35 11.518 -6.073 4.188 1.00 0.00 C ATOM 551 C ASP A 35 11.623 -4.585 3.874 1.00 0.00 C ATOM 552 O ASP A 35 10.758 -4.021 3.206 1.00 0.00 O ATOM 553 CB ASP A 35 11.589 -6.887 2.895 1.00 0.00 C ATOM 554 CG ASP A 35 11.730 -8.374 3.155 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.462 -8.745 4.096 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.108 -9.167 2.418 1.00 0.00 O ATOM 0 H ASP A 35 9.433 -6.106 4.394 1.00 0.00 H new ATOM 0 HA ASP A 35 12.354 -6.353 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.689 -6.708 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.434 -6.543 2.299 1.00 0.00 H new ATOM 561 N ARG A 36 12.685 -3.954 4.362 1.00 0.00 N ATOM 562 CA ARG A 36 12.900 -2.528 4.136 1.00 0.00 C ATOM 563 C ARG A 36 13.092 -2.221 2.652 1.00 0.00 C ATOM 564 O ARG A 36 12.986 -1.069 2.231 1.00 0.00 O ATOM 565 CB ARG A 36 14.117 -2.045 4.928 1.00 0.00 C ATOM 566 CG ARG A 36 14.101 -2.468 6.388 1.00 0.00 C ATOM 567 CD ARG A 36 15.255 -1.849 7.159 1.00 0.00 C ATOM 568 NE ARG A 36 15.412 -2.446 8.483 1.00 0.00 N ATOM 569 CZ ARG A 36 16.006 -3.617 8.703 1.00 0.00 C ATOM 570 NH1 ARG A 36 16.500 -4.319 7.690 1.00 0.00 N ATOM 571 NH2 ARG A 36 16.106 -4.088 9.938 1.00 0.00 N ATOM 0 H ARG A 36 13.411 -4.407 4.917 1.00 0.00 H new ATOM 0 HA ARG A 36 12.011 -1.999 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.022 -2.429 4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.167 -0.957 4.874 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.156 -2.171 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.159 -3.554 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.178 -1.975 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.088 -0.777 7.262 1.00 0.00 H new ATOM 0 HE ARG A 36 15.045 -1.936 9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.425 -3.962 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.954 -5.216 7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.728 -3.553 10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.561 -4.985 10.106 1.00 0.00 H new ATOM 585 N HIS A 37 13.382 -3.252 1.863 1.00 0.00 N ATOM 586 CA HIS A 37 13.595 -3.080 0.430 1.00 0.00 C ATOM 587 C HIS A 37 12.281 -2.812 -0.300 1.00 0.00 C ATOM 588 O HIS A 37 12.258 -2.117 -1.316 1.00 0.00 O ATOM 589 CB HIS A 37 14.270 -4.321 -0.157 1.00 0.00 C ATOM 590 CG HIS A 37 15.766 -4.248 -0.152 1.00 0.00 C ATOM 591 ND1 HIS A 37 16.507 -3.915 -1.266 1.00 0.00 N ATOM 592 CD2 HIS A 37 16.661 -4.466 0.841 1.00 0.00 C ATOM 593 CE1 HIS A 37 17.792 -3.933 -0.959 1.00 0.00 C ATOM 594 NE2 HIS A 37 17.912 -4.263 0.313 1.00 0.00 N ATOM 0 H HIS A 37 13.475 -4.213 2.191 1.00 0.00 H new ATOM 0 HA HIS A 37 14.244 -2.215 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.955 -5.198 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.925 -4.462 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.433 -4.747 1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.606 -3.715 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.792 -4.353 0.822 1.00 0.00 H new ATOM 603 N LEU A 38 11.191 -3.371 0.216 1.00 0.00 N ATOM 604 CA LEU A 38 9.879 -3.192 -0.400 1.00 0.00 C ATOM 605 C LEU A 38 8.938 -2.395 0.502 1.00 0.00 C ATOM 606 O LEU A 38 7.922 -1.873 0.042 1.00 0.00 O ATOM 607 CB LEU A 38 9.259 -4.552 -0.725 1.00 0.00 C ATOM 608 CG LEU A 38 9.041 -5.469 0.479 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.719 -5.150 1.160 1.00 0.00 C ATOM 610 CD2 LEU A 38 9.085 -6.928 0.051 1.00 0.00 C ATOM 0 H LEU A 38 11.189 -3.950 1.056 1.00 0.00 H new ATOM 0 HA LEU A 38 10.021 -2.627 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.300 -4.389 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.901 -5.065 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 38 9.845 -5.297 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.581 -5.812 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.726 -4.115 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.902 -5.294 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.928 -7.567 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.302 -7.116 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.057 -7.148 -0.391 1.00 0.00 H new ATOM 622 N PHE A 39 9.274 -2.306 1.785 1.00 0.00 N ATOM 623 CA PHE A 39 8.451 -1.575 2.741 1.00 0.00 C ATOM 624 C PHE A 39 9.178 -0.334 3.250 1.00 0.00 C ATOM 625 O PHE A 39 10.406 -0.256 3.199 1.00 0.00 O ATOM 626 CB PHE A 39 8.076 -2.480 3.917 1.00 0.00 C ATOM 627 CG PHE A 39 6.679 -3.027 3.833 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.592 -2.174 3.734 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.455 -4.394 3.853 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.306 -2.675 3.657 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.171 -4.901 3.776 1.00 0.00 C ATOM 632 CZ PHE A 39 4.096 -4.040 3.678 1.00 0.00 C ATOM 0 H PHE A 39 10.110 -2.731 2.186 1.00 0.00 H new ATOM 0 HA PHE A 39 7.542 -1.256 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.780 -3.311 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.182 -1.918 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.751 -1.106 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.293 -5.071 3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.466 -2.000 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.009 -5.969 3.792 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.092 -4.433 3.618 1.00 0.00 H new ATOM 642 N GLN A 40 8.410 0.632 3.741 1.00 0.00 N ATOM 643 CA GLN A 40 8.976 1.870 4.261 1.00 0.00 C ATOM 644 C GLN A 40 9.553 1.658 5.658 1.00 0.00 C ATOM 645 O GLN A 40 9.146 0.745 6.376 1.00 0.00 O ATOM 646 CB GLN A 40 7.909 2.966 4.298 1.00 0.00 C ATOM 647 CG GLN A 40 8.475 4.362 4.506 1.00 0.00 C ATOM 648 CD GLN A 40 9.233 4.870 3.296 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.656 4.091 2.442 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.410 6.184 3.217 1.00 0.00 N ATOM 0 H GLN A 40 7.392 0.581 3.790 1.00 0.00 H new ATOM 0 HA GLN A 40 9.783 2.180 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.348 2.946 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.203 2.747 5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.661 5.050 4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.140 4.356 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.042 6.793 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.914 6.584 2.425 1.00 0.00 H new ATOM 659 N THR A 41 10.503 2.507 6.036 1.00 0.00 N ATOM 660 CA THR A 41 11.135 2.411 7.346 1.00 0.00 C ATOM 661 C THR A 41 10.126 2.677 8.459 1.00 0.00 C ATOM 662 O THR A 41 10.200 2.080 9.533 1.00 0.00 O ATOM 663 CB THR A 41 12.298 3.399 7.449 1.00 0.00 C ATOM 664 OG1 THR A 41 13.210 3.212 6.382 1.00 0.00 O ATOM 665 CG2 THR A 41 13.073 3.278 8.743 1.00 0.00 C ATOM 0 H THR A 41 10.852 3.269 5.454 1.00 0.00 H new ATOM 0 HA THR A 41 11.518 1.397 7.463 1.00 0.00 H new ATOM 0 HB THR A 41 11.842 4.388 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.946 3.854 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.883 4.007 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.407 3.466 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.488 2.273 8.826 1.00 0.00 H new ATOM 673 N ARG A 42 9.185 3.578 8.195 1.00 0.00 N ATOM 674 CA ARG A 42 8.162 3.923 9.175 1.00 0.00 C ATOM 675 C ARG A 42 7.090 2.839 9.260 1.00 0.00 C ATOM 676 O ARG A 42 6.374 2.741 10.256 1.00 0.00 O ATOM 677 CB ARG A 42 7.520 5.266 8.821 1.00 0.00 C ATOM 678 CG ARG A 42 7.228 6.139 10.030 1.00 0.00 C ATOM 679 CD ARG A 42 8.348 7.135 10.283 1.00 0.00 C ATOM 680 NE ARG A 42 8.451 7.497 11.695 1.00 0.00 N ATOM 681 CZ ARG A 42 9.058 6.745 12.611 1.00 0.00 C ATOM 682 NH1 ARG A 42 9.619 5.592 12.269 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.104 7.147 13.874 1.00 0.00 N ATOM 0 H ARG A 42 9.110 4.082 7.311 1.00 0.00 H new ATOM 0 HA ARG A 42 8.645 4.002 10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.180 5.807 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.590 5.084 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.292 6.675 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.094 5.510 10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.294 6.709 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.175 8.033 9.690 1.00 0.00 H new ATOM 0 HE ARG A 42 8.033 8.377 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.587 5.277 11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.082 5.021 12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.674 8.032 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.569 6.571 14.576 1.00 0.00 H new ATOM 697 N ALA A 43 6.984 2.027 8.212 1.00 0.00 N ATOM 698 CA ALA A 43 5.999 0.953 8.177 1.00 0.00 C ATOM 699 C ALA A 43 6.272 -0.076 9.268 1.00 0.00 C ATOM 700 O ALA A 43 6.950 -1.078 9.035 1.00 0.00 O ATOM 701 CB ALA A 43 5.992 0.287 6.808 1.00 0.00 C ATOM 0 H ALA A 43 7.567 2.093 7.378 1.00 0.00 H new ATOM 0 HA ALA A 43 5.016 1.387 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.252 -0.513 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.741 1.025 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.978 -0.128 6.600 1.00 0.00 H new ATOM 707 N THR A 44 5.742 0.178 10.460 1.00 0.00 N ATOM 708 CA THR A 44 5.930 -0.726 11.589 1.00 0.00 C ATOM 709 C THR A 44 4.617 -1.398 11.978 1.00 0.00 C ATOM 710 O THR A 44 4.608 -2.521 12.481 1.00 0.00 O ATOM 711 CB THR A 44 6.501 0.034 12.788 1.00 0.00 C ATOM 712 OG1 THR A 44 5.530 0.905 13.337 1.00 0.00 O ATOM 713 CG2 THR A 44 7.720 0.863 12.445 1.00 0.00 C ATOM 0 H THR A 44 5.179 1.002 10.669 1.00 0.00 H new ATOM 0 HA THR A 44 6.636 -1.500 11.286 1.00 0.00 H new ATOM 0 HB THR A 44 6.793 -0.733 13.505 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.913 1.381 14.103 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.075 1.376 13.339 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.507 0.212 12.064 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.458 1.599 11.685 1.00 0.00 H new ATOM 721 N THR A 45 3.508 -0.704 11.742 1.00 0.00 N ATOM 722 CA THR A 45 2.190 -1.236 12.069 1.00 0.00 C ATOM 723 C THR A 45 1.237 -1.094 10.887 1.00 0.00 C ATOM 724 O THR A 45 1.552 -0.431 9.898 1.00 0.00 O ATOM 725 CB THR A 45 1.616 -0.519 13.291 1.00 0.00 C ATOM 726 OG1 THR A 45 1.398 0.853 13.011 1.00 0.00 O ATOM 727 CG2 THR A 45 2.511 -0.602 14.509 1.00 0.00 C ATOM 0 H THR A 45 3.496 0.227 11.326 1.00 0.00 H new ATOM 0 HA THR A 45 2.301 -2.296 12.298 1.00 0.00 H new ATOM 0 HB THR A 45 0.679 -1.031 13.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.029 1.294 13.804 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.045 -0.073 15.340 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.659 -1.647 14.781 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.475 -0.146 14.284 1.00 0.00 H new ATOM 735 N LEU A 46 0.069 -1.721 10.995 1.00 0.00 N ATOM 736 CA LEU A 46 -0.933 -1.665 9.936 1.00 0.00 C ATOM 737 C LEU A 46 -1.307 -0.221 9.613 1.00 0.00 C ATOM 738 O LEU A 46 -1.455 0.146 8.448 1.00 0.00 O ATOM 739 CB LEU A 46 -2.182 -2.448 10.343 1.00 0.00 C ATOM 740 CG LEU A 46 -2.068 -3.967 10.202 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.920 -4.666 11.250 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.477 -4.403 8.803 1.00 0.00 C ATOM 0 H LEU A 46 -0.207 -2.274 11.806 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.504 -2.118 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.419 -2.211 11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.021 -2.104 9.738 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.028 -4.251 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.826 -5.746 11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.582 -4.377 12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.963 -4.377 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.390 -5.486 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.509 -4.106 8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.825 -3.929 8.069 1.00 0.00 H new ATOM 754 N GLN A 47 -1.456 0.593 10.653 1.00 0.00 N ATOM 755 CA GLN A 47 -1.811 1.996 10.479 1.00 0.00 C ATOM 756 C GLN A 47 -0.644 2.779 9.887 1.00 0.00 C ATOM 757 O GLN A 47 -0.840 3.689 9.081 1.00 0.00 O ATOM 758 CB GLN A 47 -2.228 2.609 11.818 1.00 0.00 C ATOM 759 CG GLN A 47 -3.154 3.807 11.675 1.00 0.00 C ATOM 760 CD GLN A 47 -2.608 5.052 12.347 1.00 0.00 C ATOM 761 OE1 GLN A 47 -1.774 4.970 13.248 1.00 0.00 O ATOM 762 NE2 GLN A 47 -3.079 6.214 11.910 1.00 0.00 N ATOM 0 H GLN A 47 -1.336 0.305 11.624 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.652 2.051 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.724 1.847 12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.335 2.914 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.316 4.012 10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.126 3.563 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.770 6.235 11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.750 7.086 12.324 1.00 0.00 H new ATOM 771 N ALA A 48 0.570 2.417 10.290 1.00 0.00 N ATOM 772 CA ALA A 48 1.768 3.084 9.796 1.00 0.00 C ATOM 773 C ALA A 48 1.918 2.893 8.291 1.00 0.00 C ATOM 774 O ALA A 48 2.163 3.848 7.555 1.00 0.00 O ATOM 775 CB ALA A 48 2.999 2.562 10.522 1.00 0.00 C ATOM 0 H ALA A 48 0.749 1.666 10.957 1.00 0.00 H new ATOM 0 HA ALA A 48 1.669 4.151 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.887 3.069 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.900 2.754 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.094 1.489 10.353 1.00 0.00 H new ATOM 781 N CYS A 49 1.766 1.652 7.841 1.00 0.00 N ATOM 782 CA CYS A 49 1.880 1.333 6.423 1.00 0.00 C ATOM 783 C CYS A 49 0.659 1.834 5.660 1.00 0.00 C ATOM 784 O CYS A 49 0.772 2.307 4.528 1.00 0.00 O ATOM 785 CB CYS A 49 2.035 -0.176 6.228 1.00 0.00 C ATOM 786 SG CYS A 49 0.616 -1.143 6.792 1.00 0.00 S ATOM 0 H CYS A 49 1.563 0.850 8.438 1.00 0.00 H new ATOM 0 HA CYS A 49 2.766 1.833 6.031 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.202 -0.379 5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.924 -0.511 6.762 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.189 -0.378 7.467 1.00 0.00 H new ATOM 792 N LEU A 50 -0.507 1.732 6.289 1.00 0.00 N ATOM 793 CA LEU A 50 -1.751 2.178 5.674 1.00 0.00 C ATOM 794 C LEU A 50 -1.691 3.670 5.363 1.00 0.00 C ATOM 795 O LEU A 50 -1.966 4.094 4.240 1.00 0.00 O ATOM 796 CB LEU A 50 -2.935 1.884 6.597 1.00 0.00 C ATOM 797 CG LEU A 50 -4.309 2.236 6.024 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.786 1.146 5.076 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.314 2.451 7.146 1.00 0.00 C ATOM 0 H LEU A 50 -0.616 1.344 7.226 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.886 1.632 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.925 0.824 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.795 2.434 7.528 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.222 3.165 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.765 1.413 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.076 1.042 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.859 0.201 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.286 2.701 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.400 1.539 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.977 3.267 7.785 1.00 0.00 H new ATOM 811 N ASP A 51 -1.326 4.461 6.367 1.00 0.00 N ATOM 812 CA ASP A 51 -1.225 5.906 6.204 1.00 0.00 C ATOM 813 C ASP A 51 -0.165 6.258 5.166 1.00 0.00 C ATOM 814 O ASP A 51 -0.384 7.109 4.303 1.00 0.00 O ATOM 815 CB ASP A 51 -0.892 6.569 7.543 1.00 0.00 C ATOM 816 CG ASP A 51 -1.920 7.609 7.945 1.00 0.00 C ATOM 817 OD1 ASP A 51 -3.130 7.316 7.847 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.515 8.716 8.357 1.00 0.00 O ATOM 0 H ASP A 51 -1.095 4.125 7.302 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.188 6.280 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.830 5.805 8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.090 7.038 7.479 1.00 0.00 H new ATOM 823 N GLU A 52 0.984 5.595 5.252 1.00 0.00 N ATOM 824 CA GLU A 52 2.077 5.836 4.318 1.00 0.00 C ATOM 825 C GLU A 52 1.641 5.524 2.890 1.00 0.00 C ATOM 826 O GLU A 52 2.035 6.209 1.946 1.00 0.00 O ATOM 827 CB GLU A 52 3.293 4.986 4.690 1.00 0.00 C ATOM 828 CG GLU A 52 4.125 5.575 5.817 1.00 0.00 C ATOM 829 CD GLU A 52 4.734 6.915 5.454 1.00 0.00 C ATOM 830 OE1 GLU A 52 4.012 7.932 5.517 1.00 0.00 O ATOM 831 OE2 GLU A 52 5.934 6.947 5.107 1.00 0.00 O ATOM 0 H GLU A 52 1.182 4.887 5.959 1.00 0.00 H new ATOM 0 HA GLU A 52 2.351 6.889 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.955 3.991 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.924 4.864 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.500 5.692 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.921 4.878 6.079 1.00 0.00 H new ATOM 838 N ALA A 53 0.823 4.488 2.741 1.00 0.00 N ATOM 839 CA ALA A 53 0.330 4.087 1.431 1.00 0.00 C ATOM 840 C ALA A 53 -0.529 5.184 0.815 1.00 0.00 C ATOM 841 O ALA A 53 -0.377 5.521 -0.359 1.00 0.00 O ATOM 842 CB ALA A 53 -0.460 2.791 1.537 1.00 0.00 C ATOM 0 H ALA A 53 0.488 3.911 3.512 1.00 0.00 H new ATOM 0 HA ALA A 53 1.188 3.921 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.822 2.504 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.183 2.004 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.308 2.935 2.207 1.00 0.00 H new ATOM 848 N GLY A 54 -1.430 5.743 1.618 1.00 0.00 N ATOM 849 CA GLY A 54 -2.297 6.801 1.134 1.00 0.00 C ATOM 850 C GLY A 54 -1.517 8.014 0.666 1.00 0.00 C ATOM 851 O GLY A 54 -1.831 8.602 -0.369 1.00 0.00 O ATOM 0 H GLY A 54 -1.574 5.482 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.904 6.423 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.983 7.097 1.927 1.00 0.00 H new ATOM 855 N ASP A 55 -0.495 8.387 1.429 1.00 0.00 N ATOM 856 CA ASP A 55 0.336 9.535 1.087 1.00 0.00 C ATOM 857 C ASP A 55 1.223 9.223 -0.114 1.00 0.00 C ATOM 858 O ASP A 55 1.553 10.109 -0.902 1.00 0.00 O ATOM 859 CB ASP A 55 1.200 9.939 2.284 1.00 0.00 C ATOM 860 CG ASP A 55 0.571 11.050 3.102 1.00 0.00 C ATOM 861 OD1 ASP A 55 -0.403 10.770 3.833 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.051 12.199 3.012 1.00 0.00 O ATOM 0 H ASP A 55 -0.222 7.911 2.289 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.321 10.365 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.363 9.070 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.179 10.262 1.930 1.00 0.00 H new ATOM 867 N ASN A 56 1.605 7.956 -0.247 1.00 0.00 N ATOM 868 CA ASN A 56 2.453 7.526 -1.352 1.00 0.00 C ATOM 869 C ASN A 56 1.710 7.635 -2.679 1.00 0.00 C ATOM 870 O ASN A 56 2.177 8.290 -3.611 1.00 0.00 O ATOM 871 CB ASN A 56 2.920 6.085 -1.134 1.00 0.00 C ATOM 872 CG ASN A 56 4.212 6.010 -0.344 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.072 6.883 -0.455 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.354 4.962 0.460 1.00 0.00 N ATOM 0 H ASN A 56 1.340 7.210 0.397 1.00 0.00 H new ATOM 0 HA ASN A 56 3.323 8.181 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.143 5.530 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.060 5.601 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.202 4.857 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.615 4.262 0.521 1.00 0.00 H new ATOM 881 N LEU A 57 0.550 6.991 -2.757 1.00 0.00 N ATOM 882 CA LEU A 57 -0.259 7.018 -3.969 1.00 0.00 C ATOM 883 C LEU A 57 -0.686 8.443 -4.303 1.00 0.00 C ATOM 884 O LEU A 57 -0.737 8.829 -5.471 1.00 0.00 O ATOM 885 CB LEU A 57 -1.493 6.128 -3.804 1.00 0.00 C ATOM 886 CG LEU A 57 -2.374 6.461 -2.599 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.451 7.464 -2.987 1.00 0.00 C ATOM 888 CD2 LEU A 57 -3.000 5.196 -2.030 1.00 0.00 C ATOM 0 H LEU A 57 0.150 6.444 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 57 0.347 6.636 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.098 6.200 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.166 5.091 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.748 6.910 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.069 7.689 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.982 8.380 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.074 7.042 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.623 5.452 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.612 4.718 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.213 4.511 -1.714 1.00 0.00 H new ATOM 900 N ALA A 58 -0.989 9.222 -3.269 1.00 0.00 N ATOM 901 CA ALA A 58 -1.408 10.606 -3.452 1.00 0.00 C ATOM 902 C ALA A 58 -0.273 11.449 -4.023 1.00 0.00 C ATOM 903 O ALA A 58 -0.472 12.229 -4.955 1.00 0.00 O ATOM 904 CB ALA A 58 -1.889 11.191 -2.133 1.00 0.00 C ATOM 0 H ALA A 58 -0.952 8.918 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.233 10.620 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.199 12.225 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.734 10.610 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.080 11.158 -1.404 1.00 0.00 H new ATOM 910 N ALA A 59 0.919 11.285 -3.458 1.00 0.00 N ATOM 911 CA ALA A 59 2.088 12.028 -3.910 1.00 0.00 C ATOM 912 C ALA A 59 2.486 11.617 -5.323 1.00 0.00 C ATOM 913 O ALA A 59 2.961 12.436 -6.109 1.00 0.00 O ATOM 914 CB ALA A 59 3.249 11.819 -2.950 1.00 0.00 C ATOM 0 H ALA A 59 1.100 10.644 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 59 1.831 13.087 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.116 12.380 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.967 12.169 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.497 10.759 -2.904 1.00 0.00 H new ATOM 920 N LEU A 60 2.286 10.342 -5.641 1.00 0.00 N ATOM 921 CA LEU A 60 2.622 9.823 -6.961 1.00 0.00 C ATOM 922 C LEU A 60 1.699 10.411 -8.024 1.00 0.00 C ATOM 923 O LEU A 60 2.144 10.784 -9.109 1.00 0.00 O ATOM 924 CB LEU A 60 2.526 8.295 -6.972 1.00 0.00 C ATOM 925 CG LEU A 60 2.736 7.642 -8.340 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.125 7.953 -8.873 1.00 0.00 C ATOM 927 CD2 LEU A 60 2.521 6.138 -8.250 1.00 0.00 C ATOM 0 H LEU A 60 1.893 9.650 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 60 3.646 10.116 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.265 7.895 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.545 8.005 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 60 2.004 8.053 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.255 7.480 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.242 9.032 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.875 7.570 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.674 5.689 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.230 5.711 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.504 5.935 -7.913 1.00 0.00 H new ATOM 939 N ARG A 61 0.412 10.490 -7.704 1.00 0.00 N ATOM 940 CA ARG A 61 -0.574 11.034 -8.630 1.00 0.00 C ATOM 941 C ARG A 61 -0.282 12.500 -8.934 1.00 0.00 C ATOM 942 O ARG A 61 -0.336 12.927 -10.086 1.00 0.00 O ATOM 943 CB ARG A 61 -1.983 10.891 -8.052 1.00 0.00 C ATOM 944 CG ARG A 61 -2.660 9.578 -8.416 1.00 0.00 C ATOM 945 CD ARG A 61 -3.928 9.802 -9.228 1.00 0.00 C ATOM 946 NE ARG A 61 -5.110 9.269 -8.554 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.714 9.870 -7.531 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.253 11.024 -7.063 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.784 9.318 -6.976 1.00 0.00 N ATOM 0 H ARG A 61 0.027 10.184 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.513 10.469 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.932 10.975 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.598 11.718 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.968 8.958 -8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.903 9.030 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.062 10.869 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.822 9.328 -10.204 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.495 8.385 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.432 11.455 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.720 11.480 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.144 8.433 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.247 9.778 -6.192 1.00 0.00 H new ATOM 963 N HIS A 62 0.027 13.264 -7.892 1.00 0.00 N ATOM 964 CA HIS A 62 0.330 14.683 -8.047 1.00 0.00 C ATOM 965 C HIS A 62 1.739 14.886 -8.598 1.00 0.00 C ATOM 966 O HIS A 62 2.024 15.894 -9.244 1.00 0.00 O ATOM 967 CB HIS A 62 0.186 15.404 -6.706 1.00 0.00 C ATOM 968 CG HIS A 62 0.176 16.896 -6.826 1.00 0.00 C ATOM 969 ND1 HIS A 62 -0.978 17.629 -7.009 1.00 0.00 N ATOM 970 CD2 HIS A 62 1.188 17.796 -6.786 1.00 0.00 C ATOM 971 CE1 HIS A 62 -0.676 18.914 -7.078 1.00 0.00 C ATOM 972 NE2 HIS A 62 0.631 19.041 -6.945 1.00 0.00 N ATOM 0 H HIS A 62 0.074 12.925 -6.931 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.380 15.104 -8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.738 15.080 -6.226 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.006 15.106 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.237 17.575 -6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.379 19.722 -7.219 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.145 19.922 -6.958 1.00 0.00 H new ATOM 981 N ALA A 63 2.618 13.924 -8.334 1.00 0.00 N ATOM 982 CA ALA A 63 3.999 13.999 -8.798 1.00 0.00 C ATOM 983 C ALA A 63 4.073 14.112 -10.317 1.00 0.00 C ATOM 984 O ALA A 63 4.987 14.735 -10.857 1.00 0.00 O ATOM 985 CB ALA A 63 4.779 12.783 -8.321 1.00 0.00 C ATOM 0 H ALA A 63 2.398 13.083 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 63 4.446 14.899 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.808 12.850 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.770 12.749 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.318 11.877 -8.716 1.00 0.00 H new ATOM 991 N VAL A 64 3.109 13.506 -11.004 1.00 0.00 N ATOM 992 CA VAL A 64 3.074 13.540 -12.462 1.00 0.00 C ATOM 993 C VAL A 64 3.074 14.974 -12.983 1.00 0.00 C ATOM 994 O VAL A 64 3.580 15.250 -14.071 1.00 0.00 O ATOM 995 CB VAL A 64 1.837 12.803 -13.014 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.836 11.350 -12.563 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.556 13.502 -12.584 1.00 0.00 C ATOM 0 H VAL A 64 2.343 12.986 -10.575 1.00 0.00 H new ATOM 0 HA VAL A 64 3.974 13.033 -12.809 1.00 0.00 H new ATOM 0 HB VAL A 64 1.884 12.824 -14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.956 10.846 -12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.735 10.855 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.816 11.307 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.304 12.965 -12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.498 13.519 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.554 14.524 -12.963 1.00 0.00 H new ATOM 1007 N GLU A 65 2.502 15.884 -12.200 1.00 0.00 N ATOM 1008 CA GLU A 65 2.436 17.289 -12.583 1.00 0.00 C ATOM 1009 C GLU A 65 3.818 17.935 -12.539 1.00 0.00 C ATOM 1010 O GLU A 65 4.084 18.902 -13.253 1.00 0.00 O ATOM 1011 CB GLU A 65 1.475 18.045 -11.662 1.00 0.00 C ATOM 1012 CG GLU A 65 0.550 18.999 -12.400 1.00 0.00 C ATOM 1013 CD GLU A 65 1.002 20.443 -12.299 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.972 20.997 -11.180 1.00 0.00 O ATOM 1015 OE2 GLU A 65 1.384 21.020 -13.339 1.00 0.00 O ATOM 0 H GLU A 65 2.078 15.673 -11.297 1.00 0.00 H new ATOM 0 HA GLU A 65 2.066 17.342 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.873 17.324 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.054 18.607 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.499 18.711 -13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.458 18.908 -11.995 1.00 0.00 H new ATOM 1022 N GLN A 66 4.695 17.397 -11.696 1.00 0.00 N ATOM 1023 CA GLN A 66 6.048 17.926 -11.561 1.00 0.00 C ATOM 1024 C GLN A 66 7.032 17.156 -12.441 1.00 0.00 C ATOM 1025 O GLN A 66 8.238 17.171 -12.195 1.00 0.00 O ATOM 1026 CB GLN A 66 6.496 17.866 -10.099 1.00 0.00 C ATOM 1027 CG GLN A 66 6.319 19.180 -9.356 1.00 0.00 C ATOM 1028 CD GLN A 66 6.917 19.147 -7.963 1.00 0.00 C ATOM 1029 OE1 GLN A 66 6.237 19.426 -6.976 1.00 0.00 O ATOM 1030 NE2 GLN A 66 8.198 18.805 -7.876 1.00 0.00 N ATOM 0 H GLN A 66 4.493 16.596 -11.097 1.00 0.00 H new ATOM 0 HA GLN A 66 6.037 18.965 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.930 17.088 -9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.546 17.575 -10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.785 19.982 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.257 19.413 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.725 18.581 -8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.655 18.766 -6.965 1.00 0.00 H new ATOM 1039 N GLN A 67 6.513 16.486 -13.466 1.00 0.00 N ATOM 1040 CA GLN A 67 7.351 15.715 -14.377 1.00 0.00 C ATOM 1041 C GLN A 67 8.126 14.636 -13.625 1.00 0.00 C ATOM 1042 O GLN A 67 9.357 14.615 -13.641 1.00 0.00 O ATOM 1043 CB GLN A 67 8.321 16.640 -15.115 1.00 0.00 C ATOM 1044 CG GLN A 67 7.633 17.763 -15.874 1.00 0.00 C ATOM 1045 CD GLN A 67 6.655 17.250 -16.912 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.050 16.651 -17.912 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.368 17.484 -16.680 1.00 0.00 N ATOM 0 H GLN A 67 5.517 16.462 -13.686 1.00 0.00 H new ATOM 0 HA GLN A 67 6.702 15.227 -15.104 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.016 17.072 -14.395 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.912 16.049 -15.814 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.105 18.404 -15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.386 18.381 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.084 17.985 -15.838 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.663 17.163 -17.344 1.00 0.00 H new ATOM 1056 N GLN A 68 7.396 13.740 -12.968 1.00 0.00 N ATOM 1057 CA GLN A 68 8.014 12.658 -12.211 1.00 0.00 C ATOM 1058 C GLN A 68 7.686 11.304 -12.833 1.00 0.00 C ATOM 1059 O GLN A 68 7.502 10.313 -12.127 1.00 0.00 O ATOM 1060 CB GLN A 68 7.546 12.692 -10.755 1.00 0.00 C ATOM 1061 CG GLN A 68 8.308 13.687 -9.895 1.00 0.00 C ATOM 1062 CD GLN A 68 8.288 13.322 -8.424 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.858 12.310 -8.016 1.00 0.00 O ATOM 1064 NE2 GLN A 68 7.630 14.147 -7.618 1.00 0.00 N ATOM 0 H GLN A 68 6.376 13.742 -12.945 1.00 0.00 H new ATOM 0 HA GLN A 68 9.094 12.799 -12.239 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.485 12.939 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.652 11.696 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.341 13.741 -10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.876 14.679 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.172 14.975 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.583 13.953 -6.618 1.00 0.00 H new ATOM 1073 N LEU A 69 7.613 11.272 -14.160 1.00 0.00 N ATOM 1074 CA LEU A 69 7.307 10.042 -14.884 1.00 0.00 C ATOM 1075 C LEU A 69 8.288 8.928 -14.521 1.00 0.00 C ATOM 1076 O LEU A 69 7.889 7.891 -13.991 1.00 0.00 O ATOM 1077 CB LEU A 69 7.334 10.295 -16.393 1.00 0.00 C ATOM 1078 CG LEU A 69 6.011 10.773 -16.998 1.00 0.00 C ATOM 1079 CD1 LEU A 69 5.434 11.924 -16.187 1.00 0.00 C ATOM 1080 CD2 LEU A 69 6.209 11.189 -18.447 1.00 0.00 C ATOM 0 H LEU A 69 7.762 12.085 -14.757 1.00 0.00 H new ATOM 0 HA LEU A 69 6.307 9.721 -14.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.102 11.038 -16.607 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.633 9.374 -16.894 1.00 0.00 H new ATOM 0 HG LEU A 69 5.302 9.946 -16.969 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.494 12.249 -16.634 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.254 11.594 -15.164 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.139 12.755 -16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.259 11.526 -18.862 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.935 12.001 -18.497 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.575 10.339 -19.023 1.00 0.00 H new ATOM 1092 N PRO A 70 9.590 9.123 -14.801 1.00 0.00 N ATOM 1093 CA PRO A 70 10.620 8.124 -14.498 1.00 0.00 C ATOM 1094 C PRO A 70 10.615 7.716 -13.028 1.00 0.00 C ATOM 1095 O PRO A 70 11.084 6.634 -12.674 1.00 0.00 O ATOM 1096 CB PRO A 70 11.938 8.828 -14.856 1.00 0.00 C ATOM 1097 CG PRO A 70 11.596 10.274 -14.985 1.00 0.00 C ATOM 1098 CD PRO A 70 10.164 10.322 -15.430 1.00 0.00 C ATOM 0 HA PRO A 70 10.459 7.200 -15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.690 8.670 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.351 8.438 -15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.727 10.792 -14.035 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.246 10.766 -15.709 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.666 11.232 -15.096 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.076 10.291 -16.516 1.00 0.00 H new ATOM 1106 N GLN A 71 10.083 8.586 -12.176 1.00 0.00 N ATOM 1107 CA GLN A 71 10.017 8.311 -10.745 1.00 0.00 C ATOM 1108 C GLN A 71 8.887 7.335 -10.427 1.00 0.00 C ATOM 1109 O GLN A 71 8.939 6.616 -9.430 1.00 0.00 O ATOM 1110 CB GLN A 71 9.823 9.614 -9.964 1.00 0.00 C ATOM 1111 CG GLN A 71 10.966 9.927 -9.012 1.00 0.00 C ATOM 1112 CD GLN A 71 12.062 10.747 -9.665 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.437 11.809 -9.169 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.580 10.256 -10.785 1.00 0.00 N ATOM 0 H GLN A 71 9.692 9.487 -12.451 1.00 0.00 H new ATOM 0 HA GLN A 71 10.959 7.852 -10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.712 10.438 -10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.894 9.553 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.577 10.468 -8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.389 8.994 -8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.238 9.371 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.320 10.764 -11.270 1.00 0.00 H new ATOM 1123 N VAL A 72 7.867 7.316 -11.280 1.00 0.00 N ATOM 1124 CA VAL A 72 6.725 6.429 -11.089 1.00 0.00 C ATOM 1125 C VAL A 72 7.165 4.971 -10.989 1.00 0.00 C ATOM 1126 O VAL A 72 6.488 4.151 -10.370 1.00 0.00 O ATOM 1127 CB VAL A 72 5.708 6.567 -12.239 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.452 5.760 -11.945 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.367 8.031 -12.480 1.00 0.00 C ATOM 0 H VAL A 72 7.808 7.905 -12.111 1.00 0.00 H new ATOM 0 HA VAL A 72 6.251 6.726 -10.154 1.00 0.00 H new ATOM 0 HB VAL A 72 6.161 6.170 -13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.747 5.871 -12.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.714 4.708 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.994 6.122 -11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.648 8.108 -13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.936 8.458 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.273 8.577 -12.743 1.00 0.00 H new ATOM 1139 N ALA A 73 8.301 4.654 -11.601 1.00 0.00 N ATOM 1140 CA ALA A 73 8.827 3.294 -11.579 1.00 0.00 C ATOM 1141 C ALA A 73 9.065 2.820 -10.149 1.00 0.00 C ATOM 1142 O ALA A 73 8.591 1.756 -9.749 1.00 0.00 O ATOM 1143 CB ALA A 73 10.116 3.213 -12.383 1.00 0.00 C ATOM 0 H ALA A 73 8.875 5.320 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 73 8.085 2.638 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.497 2.192 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.919 3.501 -13.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.856 3.887 -11.953 1.00 0.00 H new ATOM 1149 N TRP A 74 9.801 3.617 -9.382 1.00 0.00 N ATOM 1150 CA TRP A 74 10.102 3.280 -7.995 1.00 0.00 C ATOM 1151 C TRP A 74 8.851 3.370 -7.128 1.00 0.00 C ATOM 1152 O TRP A 74 8.546 2.454 -6.364 1.00 0.00 O ATOM 1153 CB TRP A 74 11.187 4.208 -7.446 1.00 0.00 C ATOM 1154 CG TRP A 74 12.077 3.549 -6.438 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.857 2.445 -6.631 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.277 3.950 -5.078 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.531 2.136 -5.475 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.192 3.045 -4.507 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.773 4.987 -4.288 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.612 3.146 -3.183 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.191 5.086 -2.974 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.102 4.171 -2.433 1.00 0.00 C ATOM 0 H TRP A 74 10.200 4.501 -9.697 1.00 0.00 H new ATOM 0 HA TRP A 74 10.466 2.253 -7.968 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.795 4.573 -8.273 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.714 5.078 -6.989 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.933 1.895 -7.557 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.178 1.357 -5.356 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.070 5.698 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.315 2.441 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.808 5.883 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.409 4.276 -1.403 1.00 0.00 H new ATOM 1173 N LEU A 75 8.130 4.480 -7.251 1.00 0.00 N ATOM 1174 CA LEU A 75 6.912 4.689 -6.477 1.00 0.00 C ATOM 1175 C LEU A 75 5.898 3.583 -6.751 1.00 0.00 C ATOM 1176 O LEU A 75 5.121 3.207 -5.873 1.00 0.00 O ATOM 1177 CB LEU A 75 6.301 6.054 -6.808 1.00 0.00 C ATOM 1178 CG LEU A 75 6.671 7.179 -5.841 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.752 8.509 -6.575 1.00 0.00 C ATOM 1180 CD2 LEU A 75 5.664 7.256 -4.703 1.00 0.00 C ATOM 0 H LEU A 75 8.368 5.248 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 75 7.173 4.663 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.613 6.341 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.216 5.954 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 75 7.652 6.961 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.016 9.298 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.512 8.449 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.786 8.735 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.943 8.062 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.671 7.450 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.656 6.311 -4.160 1.00 0.00 H new ATOM 1192 N ALA A 76 5.913 3.064 -7.975 1.00 0.00 N ATOM 1193 CA ALA A 76 4.997 2.000 -8.365 1.00 0.00 C ATOM 1194 C ALA A 76 5.352 0.693 -7.667 1.00 0.00 C ATOM 1195 O ALA A 76 4.492 0.038 -7.078 1.00 0.00 O ATOM 1196 CB ALA A 76 5.012 1.816 -9.875 1.00 0.00 C ATOM 0 H ALA A 76 6.550 3.364 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 76 3.991 2.287 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.323 1.018 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.705 2.744 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.019 1.554 -10.200 1.00 0.00 H new ATOM 1202 N GLU A 77 6.626 0.319 -7.734 1.00 0.00 N ATOM 1203 CA GLU A 77 7.095 -0.910 -7.105 1.00 0.00 C ATOM 1204 C GLU A 77 6.845 -0.875 -5.600 1.00 0.00 C ATOM 1205 O GLU A 77 6.593 -1.908 -4.978 1.00 0.00 O ATOM 1206 CB GLU A 77 8.586 -1.116 -7.386 1.00 0.00 C ATOM 1207 CG GLU A 77 8.912 -2.486 -7.958 1.00 0.00 C ATOM 1208 CD GLU A 77 10.380 -2.840 -7.824 1.00 0.00 C ATOM 1209 OE1 GLU A 77 11.214 -1.911 -7.793 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.695 -4.047 -7.749 1.00 0.00 O ATOM 0 H GLU A 77 7.351 0.849 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 77 6.537 -1.745 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.925 -0.350 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.145 -0.975 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.312 -3.240 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.630 -2.512 -9.011 1.00 0.00 H new ATOM 1217 N HIS A 78 6.915 0.320 -5.022 1.00 0.00 N ATOM 1218 CA HIS A 78 6.693 0.491 -3.591 1.00 0.00 C ATOM 1219 C HIS A 78 5.208 0.388 -3.258 1.00 0.00 C ATOM 1220 O HIS A 78 4.819 -0.308 -2.321 1.00 0.00 O ATOM 1221 CB HIS A 78 7.239 1.843 -3.127 1.00 0.00 C ATOM 1222 CG HIS A 78 7.352 1.964 -1.639 1.00 0.00 C ATOM 1223 ND1 HIS A 78 7.676 3.143 -1.002 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.180 1.044 -0.659 1.00 0.00 C ATOM 1225 CE1 HIS A 78 7.700 2.944 0.304 1.00 0.00 C ATOM 1226 NE2 HIS A 78 7.402 1.679 0.538 1.00 0.00 N ATOM 0 H HIS A 78 7.124 1.184 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 78 7.222 -0.305 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.222 2.001 -3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.589 2.635 -3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.917 0.005 -0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.925 3.689 1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.346 1.244 1.459 1.00 0.00 H new ATOM 1235 N LEU A 79 4.384 1.084 -4.035 1.00 0.00 N ATOM 1236 CA LEU A 79 2.941 1.069 -3.825 1.00 0.00 C ATOM 1237 C LEU A 79 2.384 -0.340 -3.994 1.00 0.00 C ATOM 1238 O LEU A 79 1.618 -0.820 -3.158 1.00 0.00 O ATOM 1239 CB LEU A 79 2.253 2.024 -4.804 1.00 0.00 C ATOM 1240 CG LEU A 79 2.090 3.460 -4.303 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.602 4.364 -5.425 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.130 3.506 -3.124 1.00 0.00 C ATOM 0 H LEU A 79 4.691 1.665 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 79 2.742 1.400 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.824 2.042 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.267 1.625 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 79 3.063 3.822 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.492 5.382 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.325 4.354 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.639 4.005 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.025 4.535 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.156 3.126 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.520 2.890 -2.313 1.00 0.00 H new ATOM 1254 N ALA A 80 2.775 -0.998 -5.080 1.00 0.00 N ATOM 1255 CA ALA A 80 2.317 -2.353 -5.360 1.00 0.00 C ATOM 1256 C ALA A 80 2.810 -3.329 -4.298 1.00 0.00 C ATOM 1257 O ALA A 80 2.078 -4.226 -3.877 1.00 0.00 O ATOM 1258 CB ALA A 80 2.783 -2.792 -6.740 1.00 0.00 C ATOM 0 H ALA A 80 3.409 -0.614 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 80 1.227 -2.354 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.434 -3.806 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.377 -2.116 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.872 -2.769 -6.781 1.00 0.00 H new ATOM 1264 N ALA A 81 4.054 -3.149 -3.867 1.00 0.00 N ATOM 1265 CA ALA A 81 4.644 -4.013 -2.852 1.00 0.00 C ATOM 1266 C ALA A 81 3.914 -3.870 -1.521 1.00 0.00 C ATOM 1267 O ALA A 81 3.606 -4.863 -0.862 1.00 0.00 O ATOM 1268 CB ALA A 81 6.122 -3.696 -2.683 1.00 0.00 C ATOM 0 H ALA A 81 4.673 -2.412 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 81 4.542 -5.046 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.549 -4.349 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.639 -3.855 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.238 -2.657 -2.376 1.00 0.00 H new ATOM 1274 N GLN A 82 3.638 -2.629 -1.134 1.00 0.00 N ATOM 1275 CA GLN A 82 2.941 -2.357 0.117 1.00 0.00 C ATOM 1276 C GLN A 82 1.557 -2.999 0.114 1.00 0.00 C ATOM 1277 O GLN A 82 1.185 -3.704 1.052 1.00 0.00 O ATOM 1278 CB GLN A 82 2.821 -0.847 0.341 1.00 0.00 C ATOM 1279 CG GLN A 82 3.431 -0.376 1.651 1.00 0.00 C ATOM 1280 CD GLN A 82 3.795 1.095 1.630 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.931 1.461 1.329 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.829 1.949 1.950 1.00 0.00 N ATOM 0 H GLN A 82 3.886 -1.797 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 82 3.521 -2.790 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.306 -0.326 -0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.768 -0.567 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.727 -0.560 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.324 -0.964 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.901 1.602 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.015 2.952 1.952 1.00 0.00 H new ATOM 1291 N LEU A 83 0.799 -2.751 -0.950 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.542 -3.307 -1.079 1.00 0.00 C ATOM 1293 C LEU A 83 -0.492 -4.829 -1.155 1.00 0.00 C ATOM 1294 O LEU A 83 -1.365 -5.517 -0.627 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.233 -2.745 -2.323 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.745 -2.558 -2.196 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.200 -1.336 -2.979 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.476 -3.803 -2.676 1.00 0.00 C ATOM 0 H LEU A 83 1.091 -2.169 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.114 -3.023 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.783 -1.783 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.034 -3.411 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.986 -2.400 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.279 -1.219 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.701 -0.448 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.947 -1.463 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.551 -3.654 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.228 -3.990 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.173 -4.658 -2.072 1.00 0.00 H new ATOM 1310 N GLU A 84 0.539 -5.348 -1.815 1.00 0.00 N ATOM 1311 CA GLU A 84 0.707 -6.789 -1.960 1.00 0.00 C ATOM 1312 C GLU A 84 0.934 -7.445 -0.602 1.00 0.00 C ATOM 1313 O GLU A 84 0.370 -8.499 -0.308 1.00 0.00 O ATOM 1314 CB GLU A 84 1.880 -7.095 -2.893 1.00 0.00 C ATOM 1315 CG GLU A 84 1.455 -7.440 -4.311 1.00 0.00 C ATOM 1316 CD GLU A 84 2.617 -7.435 -5.285 1.00 0.00 C ATOM 1317 OE1 GLU A 84 3.577 -8.204 -5.067 1.00 0.00 O ATOM 1318 OE2 GLU A 84 2.568 -6.662 -6.264 1.00 0.00 O ATOM 0 H GLU A 84 1.270 -4.792 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.206 -7.198 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.545 -6.232 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.453 -7.926 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.985 -8.424 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.703 -6.726 -4.645 1.00 0.00 H new ATOM 1325 N ALA A 85 1.761 -6.812 0.224 1.00 0.00 N ATOM 1326 CA ALA A 85 2.060 -7.333 1.552 1.00 0.00 C ATOM 1327 C ALA A 85 0.809 -7.361 2.421 1.00 0.00 C ATOM 1328 O ALA A 85 0.578 -8.315 3.164 1.00 0.00 O ATOM 1329 CB ALA A 85 3.147 -6.498 2.213 1.00 0.00 C ATOM 0 H ALA A 85 2.235 -5.938 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 85 2.420 -8.356 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.361 -6.898 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.051 -6.531 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.809 -5.466 2.303 1.00 0.00 H new ATOM 1335 N ILE A 86 0.002 -6.309 2.321 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.229 -6.214 3.097 1.00 0.00 C ATOM 1337 C ILE A 86 -2.270 -7.206 2.589 1.00 0.00 C ATOM 1338 O ILE A 86 -2.990 -7.823 3.375 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.820 -4.791 3.044 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.752 -3.757 3.406 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.014 -4.676 3.980 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.025 -2.383 2.834 1.00 0.00 C ATOM 0 H ILE A 86 0.179 -5.511 1.711 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.974 -6.452 4.130 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.160 -4.594 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.682 -3.683 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.216 -4.106 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.419 -3.665 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.781 -5.390 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.698 -4.891 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.228 -1.701 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.066 -2.443 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.978 -2.014 3.213 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.344 -7.353 1.270 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.296 -8.270 0.656 1.00 0.00 C ATOM 1356 C ALA A 87 -2.874 -9.720 0.868 1.00 0.00 C ATOM 1357 O ALA A 87 -3.715 -10.607 1.016 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.435 -7.970 -0.829 1.00 0.00 C ATOM 0 H ALA A 87 -1.756 -6.849 0.606 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.264 -8.126 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.149 -8.662 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.789 -6.948 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.466 -8.085 -1.316 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.566 -9.954 0.882 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.032 -11.296 1.078 1.00 0.00 C ATOM 1366 C ARG A 88 -1.319 -11.793 2.491 1.00 0.00 C ATOM 1367 O ARG A 88 -1.841 -12.892 2.679 1.00 0.00 O ATOM 1368 CB ARG A 88 0.476 -11.313 0.816 1.00 0.00 C ATOM 1369 CG ARG A 88 1.037 -12.708 0.583 1.00 0.00 C ATOM 1370 CD ARG A 88 2.344 -12.921 1.331 1.00 0.00 C ATOM 1371 NE ARG A 88 3.469 -13.121 0.421 1.00 0.00 N ATOM 1372 CZ ARG A 88 4.625 -13.674 0.781 1.00 0.00 C ATOM 1373 NH1 ARG A 88 4.813 -14.082 2.031 1.00 0.00 N ATOM 1374 NH2 ARG A 88 5.596 -13.819 -0.109 1.00 0.00 N ATOM 0 H ARG A 88 -0.857 -9.231 0.760 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.524 -11.962 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.692 -10.693 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.989 -10.861 1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.308 -13.452 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.199 -12.862 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.542 -12.059 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.250 -13.787 1.987 1.00 0.00 H new ATOM 0 HE ARG A 88 3.362 -12.819 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.069 -13.972 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.701 -14.505 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.458 -13.507 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.482 -14.243 0.167 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.977 -10.975 3.481 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.200 -11.332 4.877 1.00 0.00 C ATOM 1390 C GLU A 89 -2.684 -11.558 5.147 1.00 0.00 C ATOM 1391 O GLU A 89 -3.069 -12.555 5.758 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.663 -10.235 5.798 1.00 0.00 C ATOM 1393 CG GLU A 89 -1.305 -8.877 5.567 1.00 0.00 C ATOM 1394 CD GLU A 89 -0.662 -7.780 6.393 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -1.078 -7.591 7.555 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.256 -7.109 5.876 1.00 0.00 O ATOM 0 H GLU A 89 -0.545 -10.061 3.343 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.665 -12.260 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.824 -10.532 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.414 -10.147 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.233 -8.620 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.366 -8.935 5.810 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.513 -10.627 4.684 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.954 -10.726 4.873 1.00 0.00 C ATOM 1405 C ALA A 90 -5.507 -11.986 4.215 1.00 0.00 C ATOM 1406 O ALA A 90 -6.452 -12.596 4.715 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.645 -9.491 4.315 1.00 0.00 C ATOM 0 H ALA A 90 -3.210 -9.796 4.176 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.153 -10.788 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.721 -9.578 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.278 -8.604 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.431 -9.404 3.250 1.00 0.00 H new