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= 0.958 K(o=2,f=-1.1) USER MOD Set 1.2: A 56 ASN : amide:sc= 1.04 K(o=2,f=-0.37) USER MOD Set 2.1: A 25 SER OG : rot 6:sc= -0.338 USER MOD Set 2.2: A 47 GLN : amide:sc= -0.591 K(o=-0.93,f=-0.31) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 83:sc= 1.09 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 21 CYS SG : rot -170:sc= -1.18 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.071 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= -0.206 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 49 CYS SG : rot 180:sc= -4.28! USER MOD Single : A 62 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.5!) USER MOD Single : A 67 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.0071) USER MOD Single : A 68 GLN : amide:sc= -2.02 K(o=-2,f=-6.5!) USER MOD Single : A 71 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.024) USER MOD Single : A 78 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.32) USER MOD Single : A 82 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.918 2.364 -6.057 1.00 0.00 N ATOM 192 CA GLY A 12 -11.091 1.850 -5.373 1.00 0.00 C ATOM 193 C GLY A 12 -10.737 0.976 -4.186 1.00 0.00 C ATOM 194 O GLY A 12 -11.381 1.048 -3.140 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.705 2.685 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.694 1.275 -6.076 1.00 0.00 H new ATOM 198 N GLN A 13 -9.710 0.148 -4.349 1.00 0.00 N ATOM 199 CA GLN A 13 -9.273 -0.745 -3.282 1.00 0.00 C ATOM 200 C GLN A 13 -8.705 0.046 -2.108 1.00 0.00 C ATOM 201 O GLN A 13 -8.911 -0.312 -0.948 1.00 0.00 O ATOM 202 CB GLN A 13 -8.222 -1.725 -3.807 1.00 0.00 C ATOM 203 CG GLN A 13 -8.739 -2.643 -4.902 1.00 0.00 C ATOM 204 CD GLN A 13 -8.891 -4.079 -4.437 1.00 0.00 C ATOM 205 OE1 GLN A 13 -9.818 -4.410 -3.699 1.00 0.00 O ATOM 206 NE2 GLN A 13 -7.976 -4.940 -4.868 1.00 0.00 N ATOM 0 H GLN A 13 -9.166 0.077 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.141 -1.305 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.371 -1.162 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.857 -2.332 -2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.703 -2.275 -5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.056 -2.610 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.224 -4.622 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.025 -5.920 -4.588 1.00 0.00 H new ATOM 215 N LEU A 14 -7.988 1.121 -2.416 1.00 0.00 N ATOM 216 CA LEU A 14 -7.389 1.962 -1.387 1.00 0.00 C ATOM 217 C LEU A 14 -8.462 2.610 -0.517 1.00 0.00 C ATOM 218 O LEU A 14 -8.380 2.581 0.711 1.00 0.00 O ATOM 219 CB LEU A 14 -6.510 3.040 -2.028 1.00 0.00 C ATOM 220 CG LEU A 14 -5.025 2.958 -1.673 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.182 3.618 -2.753 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.764 3.607 -0.322 1.00 0.00 C ATOM 0 H LEU A 14 -7.807 1.431 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.769 1.329 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.613 2.975 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.886 4.019 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.743 1.907 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.128 3.550 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.347 3.111 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.466 4.666 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.702 3.540 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.062 4.655 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.341 3.092 0.446 1.00 0.00 H new ATOM 234 N ALA A 15 -9.466 3.195 -1.161 1.00 0.00 N ATOM 235 CA ALA A 15 -10.554 3.852 -0.446 1.00 0.00 C ATOM 236 C ALA A 15 -11.275 2.876 0.478 1.00 0.00 C ATOM 237 O ALA A 15 -11.495 3.167 1.654 1.00 0.00 O ATOM 238 CB ALA A 15 -11.535 4.470 -1.431 1.00 0.00 C ATOM 0 H ALA A 15 -9.549 3.228 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.125 4.643 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.342 4.957 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.018 5.206 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.949 3.690 -2.070 1.00 0.00 H new ATOM 244 N THR A 16 -11.641 1.718 -0.061 1.00 0.00 N ATOM 245 CA THR A 16 -12.339 0.700 0.716 1.00 0.00 C ATOM 246 C THR A 16 -11.466 0.190 1.858 1.00 0.00 C ATOM 247 O THR A 16 -11.890 0.164 3.013 1.00 0.00 O ATOM 248 CB THR A 16 -12.751 -0.465 -0.185 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.276 0.011 -1.412 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.793 -1.366 0.441 1.00 0.00 C ATOM 0 H THR A 16 -11.466 1.461 -1.032 1.00 0.00 H new ATOM 0 HA THR A 16 -13.233 1.155 1.143 1.00 0.00 H new ATOM 0 HB THR A 16 -11.841 -1.044 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.540 0.213 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.040 -2.171 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.400 -1.789 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.690 -0.787 0.660 1.00 0.00 H new ATOM 258 N LEU A 17 -10.245 -0.218 1.526 1.00 0.00 N ATOM 259 CA LEU A 17 -9.312 -0.730 2.524 1.00 0.00 C ATOM 260 C LEU A 17 -9.001 0.330 3.576 1.00 0.00 C ATOM 261 O LEU A 17 -8.797 0.013 4.748 1.00 0.00 O ATOM 262 CB LEU A 17 -8.018 -1.192 1.852 1.00 0.00 C ATOM 263 CG LEU A 17 -7.307 -2.355 2.546 1.00 0.00 C ATOM 264 CD1 LEU A 17 -7.727 -3.681 1.931 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.797 -2.182 2.465 1.00 0.00 C ATOM 0 H LEU A 17 -9.879 -0.204 0.574 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.781 -1.580 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.244 -1.484 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.332 -0.346 1.799 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.597 -2.357 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.211 -4.497 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.804 -3.809 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.468 -3.689 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.308 -3.019 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.490 -2.153 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.511 -1.251 2.953 1.00 0.00 H new ATOM 277 N ARG A 18 -8.964 1.588 3.150 1.00 0.00 N ATOM 278 CA ARG A 18 -8.675 2.694 4.056 1.00 0.00 C ATOM 279 C ARG A 18 -9.828 2.922 5.027 1.00 0.00 C ATOM 280 O ARG A 18 -9.614 3.244 6.196 1.00 0.00 O ATOM 281 CB ARG A 18 -8.404 3.973 3.261 1.00 0.00 C ATOM 282 CG ARG A 18 -6.947 4.145 2.863 1.00 0.00 C ATOM 283 CD ARG A 18 -6.056 4.351 4.077 1.00 0.00 C ATOM 284 NE ARG A 18 -5.628 5.741 4.212 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.156 6.265 5.341 1.00 0.00 C ATOM 286 NH1 ARG A 18 -5.052 5.520 6.435 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.786 7.539 5.377 1.00 0.00 N ATOM 0 H ARG A 18 -9.130 1.867 2.183 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.787 2.434 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.020 3.969 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.714 4.833 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.614 3.266 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.851 4.998 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.593 4.048 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.180 3.708 3.997 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.695 6.346 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.335 4.540 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.690 5.927 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.863 8.116 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.424 7.941 6.242 1.00 0.00 H new ATOM 301 N GLN A 19 -11.052 2.755 4.537 1.00 0.00 N ATOM 302 CA GLN A 19 -12.239 2.946 5.362 1.00 0.00 C ATOM 303 C GLN A 19 -12.445 1.766 6.307 1.00 0.00 C ATOM 304 O GLN A 19 -12.866 1.941 7.451 1.00 0.00 O ATOM 305 CB GLN A 19 -13.475 3.132 4.479 1.00 0.00 C ATOM 306 CG GLN A 19 -14.350 4.304 4.896 1.00 0.00 C ATOM 307 CD GLN A 19 -15.761 3.882 5.254 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.454 3.251 4.456 1.00 0.00 O ATOM 309 NE2 GLN A 19 -16.196 4.230 6.460 1.00 0.00 N ATOM 0 H GLN A 19 -11.248 2.488 3.572 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.092 3.844 5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.156 3.277 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.069 2.219 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.897 4.804 5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.387 5.031 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.588 4.753 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.138 3.974 6.756 1.00 0.00 H new ATOM 318 N ARG A 20 -12.150 0.565 5.822 1.00 0.00 N ATOM 319 CA ARG A 20 -12.306 -0.643 6.624 1.00 0.00 C ATOM 320 C ARG A 20 -11.120 -0.832 7.566 1.00 0.00 C ATOM 321 O ARG A 20 -11.256 -1.421 8.639 1.00 0.00 O ATOM 322 CB ARG A 20 -12.453 -1.867 5.717 1.00 0.00 C ATOM 323 CG ARG A 20 -13.899 -2.230 5.417 1.00 0.00 C ATOM 324 CD ARG A 20 -14.212 -3.663 5.816 1.00 0.00 C ATOM 325 NE ARG A 20 -13.559 -4.631 4.939 1.00 0.00 N ATOM 326 CZ ARG A 20 -13.767 -5.945 4.998 1.00 0.00 C ATOM 327 NH1 ARG A 20 -14.610 -6.451 5.890 1.00 0.00 N ATOM 328 NH2 ARG A 20 -13.132 -6.755 4.162 1.00 0.00 N ATOM 0 H ARG A 20 -11.801 0.402 4.877 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.208 -0.534 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.932 -1.678 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.963 -2.719 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.563 -1.550 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.095 -2.097 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.891 -3.831 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.290 -3.819 5.789 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.905 -4.280 4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.102 -5.833 6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.765 -7.458 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.484 -6.372 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.291 -7.761 4.207 1.00 0.00 H new ATOM 342 N CYS A 21 -9.958 -0.332 7.159 1.00 0.00 N ATOM 343 CA CYS A 21 -8.750 -0.450 7.969 1.00 0.00 C ATOM 344 C CYS A 21 -8.345 0.897 8.567 1.00 0.00 C ATOM 345 O CYS A 21 -7.230 1.051 9.064 1.00 0.00 O ATOM 346 CB CYS A 21 -7.603 -1.010 7.127 1.00 0.00 C ATOM 347 SG CYS A 21 -8.018 -2.523 6.229 1.00 0.00 S ATOM 0 H CYS A 21 -9.827 0.158 6.274 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.965 -1.134 8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.287 -0.251 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.752 -1.208 7.778 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.938 -3.034 5.717 1.00 0.00 H new ATOM 353 N ALA A 22 -9.252 1.869 8.517 1.00 0.00 N ATOM 354 CA ALA A 22 -8.975 3.195 9.056 1.00 0.00 C ATOM 355 C ALA A 22 -8.730 3.136 10.563 1.00 0.00 C ATOM 356 O ALA A 22 -7.644 3.472 11.035 1.00 0.00 O ATOM 357 CB ALA A 22 -10.119 4.146 8.736 1.00 0.00 C ATOM 0 H ALA A 22 -10.181 1.763 8.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.067 3.570 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.898 5.132 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.239 4.220 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.041 3.768 9.178 1.00 0.00 H new ATOM 363 N PRO A 23 -9.740 2.707 11.341 1.00 0.00 N ATOM 364 CA PRO A 23 -9.624 2.607 12.798 1.00 0.00 C ATOM 365 C PRO A 23 -8.837 1.375 13.234 1.00 0.00 C ATOM 366 O PRO A 23 -9.359 0.509 13.937 1.00 0.00 O ATOM 367 CB PRO A 23 -11.079 2.502 13.250 1.00 0.00 C ATOM 368 CG PRO A 23 -11.772 1.826 12.118 1.00 0.00 C ATOM 369 CD PRO A 23 -11.073 2.286 10.864 1.00 0.00 C ATOM 0 HA PRO A 23 -9.085 3.451 13.229 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.168 1.926 14.171 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.506 3.486 13.447 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.717 0.742 12.219 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.829 2.091 12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.001 1.484 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.606 3.109 10.387 1.00 0.00 H new ATOM 377 N VAL A 24 -7.580 1.300 12.810 1.00 0.00 N ATOM 378 CA VAL A 24 -6.724 0.171 13.155 1.00 0.00 C ATOM 379 C VAL A 24 -5.502 0.612 13.962 1.00 0.00 C ATOM 380 O VAL A 24 -4.764 -0.221 14.484 1.00 0.00 O ATOM 381 CB VAL A 24 -6.248 -0.577 11.895 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.435 -1.151 11.135 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.429 0.343 11.001 1.00 0.00 C ATOM 0 H VAL A 24 -7.132 2.007 12.227 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.329 -0.499 13.766 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.609 -1.403 12.207 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.080 -1.676 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.976 -1.847 11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.101 -0.342 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.103 -0.205 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.040 1.193 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.557 0.701 11.549 1.00 0.00 H new ATOM 393 N SER A 25 -5.290 1.923 14.060 1.00 0.00 N ATOM 394 CA SER A 25 -4.154 2.459 14.803 1.00 0.00 C ATOM 395 C SER A 25 -4.174 1.999 16.260 1.00 0.00 C ATOM 396 O SER A 25 -3.145 2.010 16.936 1.00 0.00 O ATOM 397 CB SER A 25 -4.156 3.987 14.741 1.00 0.00 C ATOM 398 OG SER A 25 -2.836 4.501 14.777 1.00 0.00 O ATOM 0 H SER A 25 -5.889 2.631 13.635 1.00 0.00 H new ATOM 0 HA SER A 25 -3.244 2.079 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.653 4.316 13.828 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.728 4.387 15.578 1.00 0.00 H new ATOM 0 HG SER A 25 -2.195 3.760 14.746 1.00 0.00 H new ATOM 404 N GLN A 26 -5.348 1.599 16.740 1.00 0.00 N ATOM 405 CA GLN A 26 -5.493 1.141 18.119 1.00 0.00 C ATOM 406 C GLN A 26 -4.815 -0.210 18.326 1.00 0.00 C ATOM 407 O GLN A 26 -4.013 -0.378 19.245 1.00 0.00 O ATOM 408 CB GLN A 26 -6.973 1.044 18.492 1.00 0.00 C ATOM 409 CG GLN A 26 -7.270 1.472 19.921 1.00 0.00 C ATOM 410 CD GLN A 26 -7.796 0.334 20.775 1.00 0.00 C ATOM 411 OE1 GLN A 26 -9.005 0.180 20.948 1.00 0.00 O ATOM 412 NE2 GLN A 26 -6.887 -0.470 21.315 1.00 0.00 N ATOM 0 H GLN A 26 -6.211 1.583 16.196 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.006 1.870 18.767 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.553 1.664 17.808 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.308 0.016 18.352 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.362 1.870 20.373 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.001 2.280 19.909 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.895 -0.305 21.145 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.181 -1.252 21.900 1.00 0.00 H new ATOM 421 N PHE A 27 -5.144 -1.172 17.470 1.00 0.00 N ATOM 422 CA PHE A 27 -4.568 -2.510 17.564 1.00 0.00 C ATOM 423 C PHE A 27 -3.703 -2.823 16.346 1.00 0.00 C ATOM 424 O PHE A 27 -3.530 -3.985 15.979 1.00 0.00 O ATOM 425 CB PHE A 27 -5.679 -3.555 17.701 1.00 0.00 C ATOM 426 CG PHE A 27 -5.627 -4.320 18.993 1.00 0.00 C ATOM 427 CD1 PHE A 27 -4.734 -5.366 19.158 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.472 -3.993 20.041 1.00 0.00 C ATOM 429 CE1 PHE A 27 -4.684 -6.072 20.345 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.427 -4.696 21.230 1.00 0.00 C ATOM 431 CZ PHE A 27 -5.531 -5.737 21.382 1.00 0.00 C ATOM 0 H PHE A 27 -5.806 -1.051 16.704 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.934 -2.543 18.450 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.646 -3.058 17.621 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.611 -4.257 16.870 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.069 -5.633 18.350 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.174 -3.180 19.928 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.983 -6.885 20.461 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.091 -4.432 22.040 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.494 -6.287 22.310 1.00 0.00 H new ATOM 441 N ALA A 28 -3.166 -1.781 15.721 1.00 0.00 N ATOM 442 CA ALA A 28 -2.324 -1.946 14.544 1.00 0.00 C ATOM 443 C ALA A 28 -1.013 -2.639 14.896 1.00 0.00 C ATOM 444 O ALA A 28 -0.257 -2.167 15.745 1.00 0.00 O ATOM 445 CB ALA A 28 -2.052 -0.596 13.898 1.00 0.00 C ATOM 0 H ALA A 28 -3.300 -0.812 16.011 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.857 -2.578 13.833 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.422 -0.733 13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.995 -0.139 13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.544 0.053 14.611 1.00 0.00 H new ATOM 451 N THR A 29 -0.748 -3.761 14.235 1.00 0.00 N ATOM 452 CA THR A 29 0.474 -4.520 14.475 1.00 0.00 C ATOM 453 C THR A 29 0.924 -5.240 13.208 1.00 0.00 C ATOM 454 O THR A 29 0.159 -5.991 12.603 1.00 0.00 O ATOM 455 CB THR A 29 0.258 -5.532 15.601 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.313 -4.905 16.736 1.00 0.00 O ATOM 457 CG2 THR A 29 1.533 -6.214 16.046 1.00 0.00 C ATOM 0 H THR A 29 -1.363 -4.165 13.529 1.00 0.00 H new ATOM 0 HA THR A 29 1.255 -3.820 14.771 1.00 0.00 H new ATOM 0 HB THR A 29 -0.412 -6.286 15.187 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.445 -5.569 17.445 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.308 -6.919 16.847 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.972 -6.749 15.204 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.238 -5.466 16.408 1.00 0.00 H new ATOM 465 N LEU A 30 2.170 -5.005 12.810 1.00 0.00 N ATOM 466 CA LEU A 30 2.722 -5.631 11.614 1.00 0.00 C ATOM 467 C LEU A 30 3.619 -6.809 11.981 1.00 0.00 C ATOM 468 O LEU A 30 4.251 -6.816 13.037 1.00 0.00 O ATOM 469 CB LEU A 30 3.510 -4.606 10.795 1.00 0.00 C ATOM 470 CG LEU A 30 2.711 -3.909 9.692 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.534 -2.799 9.056 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.267 -4.914 8.640 1.00 0.00 C ATOM 0 H LEU A 30 2.817 -4.386 13.298 1.00 0.00 H new ATOM 0 HA LEU A 30 1.893 -6.005 11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.904 -3.848 11.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.366 -5.106 10.342 1.00 0.00 H new ATOM 0 HG LEU A 30 1.823 -3.464 10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.949 -2.315 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.803 -2.065 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.441 -3.221 8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.700 -4.401 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.143 -5.388 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.639 -5.674 9.105 1.00 0.00 H new ATOM 484 N SER A 31 3.669 -7.804 11.101 1.00 0.00 N ATOM 485 CA SER A 31 4.488 -8.989 11.331 1.00 0.00 C ATOM 486 C SER A 31 5.972 -8.639 11.314 1.00 0.00 C ATOM 487 O SER A 31 6.359 -7.550 10.890 1.00 0.00 O ATOM 488 CB SER A 31 4.191 -10.053 10.272 1.00 0.00 C ATOM 489 OG SER A 31 3.177 -10.940 10.710 1.00 0.00 O ATOM 0 H SER A 31 3.152 -7.813 10.222 1.00 0.00 H new ATOM 0 HA SER A 31 4.239 -9.385 12.315 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.881 -9.571 9.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.099 -10.614 10.051 1.00 0.00 H new ATOM 0 HG SER A 31 3.005 -11.609 10.015 1.00 0.00 H new ATOM 495 N ALA A 32 6.799 -9.570 11.780 1.00 0.00 N ATOM 496 CA ALA A 32 8.242 -9.363 11.820 1.00 0.00 C ATOM 497 C ALA A 32 8.913 -9.822 10.526 1.00 0.00 C ATOM 498 O ALA A 32 10.107 -9.600 10.327 1.00 0.00 O ATOM 499 CB ALA A 32 8.844 -10.091 13.012 1.00 0.00 C ATOM 0 H ALA A 32 6.494 -10.476 12.135 1.00 0.00 H new ATOM 0 HA ALA A 32 8.422 -8.293 11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.922 -9.929 13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.403 -9.708 13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.639 -11.158 12.928 1.00 0.00 H new ATOM 505 N ARG A 33 8.144 -10.463 9.649 1.00 0.00 N ATOM 506 CA ARG A 33 8.676 -10.948 8.380 1.00 0.00 C ATOM 507 C ARG A 33 8.431 -9.944 7.256 1.00 0.00 C ATOM 508 O ARG A 33 8.440 -10.304 6.079 1.00 0.00 O ATOM 509 CB ARG A 33 8.044 -12.295 8.021 1.00 0.00 C ATOM 510 CG ARG A 33 6.530 -12.312 8.160 1.00 0.00 C ATOM 511 CD ARG A 33 6.093 -13.041 9.421 1.00 0.00 C ATOM 512 NE ARG A 33 5.984 -14.482 9.210 1.00 0.00 N ATOM 513 CZ ARG A 33 5.976 -15.377 10.196 1.00 0.00 C ATOM 514 NH1 ARG A 33 6.068 -14.984 11.460 1.00 0.00 N ATOM 515 NH2 ARG A 33 5.873 -16.670 9.916 1.00 0.00 N ATOM 0 H ARG A 33 7.153 -10.658 9.794 1.00 0.00 H new ATOM 0 HA ARG A 33 9.752 -11.074 8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.309 -12.550 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.468 -13.068 8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.154 -11.289 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.089 -12.795 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.808 -12.845 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.131 -12.649 9.751 1.00 0.00 H new ATOM 0 HE ARG A 33 5.910 -14.823 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.145 -13.991 11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.061 -15.675 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.800 -16.978 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.867 -17.356 10.671 1.00 0.00 H new ATOM 529 N PHE A 34 8.212 -8.685 7.624 1.00 0.00 N ATOM 530 CA PHE A 34 7.967 -7.636 6.648 1.00 0.00 C ATOM 531 C PHE A 34 9.158 -7.472 5.709 1.00 0.00 C ATOM 532 O PHE A 34 10.305 -7.687 6.102 1.00 0.00 O ATOM 533 CB PHE A 34 7.680 -6.318 7.365 1.00 0.00 C ATOM 534 CG PHE A 34 8.838 -5.812 8.178 1.00 0.00 C ATOM 535 CD1 PHE A 34 9.022 -6.236 9.484 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.741 -4.912 7.635 1.00 0.00 C ATOM 537 CE1 PHE A 34 10.086 -5.772 10.234 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.807 -4.444 8.380 1.00 0.00 C ATOM 539 CZ PHE A 34 10.979 -4.875 9.681 1.00 0.00 C ATOM 0 H PHE A 34 8.200 -8.369 8.594 1.00 0.00 H new ATOM 0 HA PHE A 34 7.101 -7.919 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.408 -5.564 6.627 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.818 -6.450 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.326 -6.937 9.921 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.610 -4.572 6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.219 -6.110 11.251 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.504 -3.743 7.946 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.811 -4.511 10.265 1.00 0.00 H new ATOM 549 N ASP A 35 8.879 -7.089 4.468 1.00 0.00 N ATOM 550 CA ASP A 35 9.927 -6.895 3.473 1.00 0.00 C ATOM 551 C ASP A 35 10.096 -5.415 3.145 1.00 0.00 C ATOM 552 O ASP A 35 9.122 -4.719 2.860 1.00 0.00 O ATOM 553 CB ASP A 35 9.603 -7.678 2.199 1.00 0.00 C ATOM 554 CG ASP A 35 10.836 -7.957 1.362 1.00 0.00 C ATOM 555 OD1 ASP A 35 11.743 -7.099 1.337 1.00 0.00 O ATOM 556 OD2 ASP A 35 10.895 -9.034 0.733 1.00 0.00 O ATOM 0 H ASP A 35 7.935 -6.907 4.127 1.00 0.00 H new ATOM 0 HA ASP A 35 10.863 -7.267 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.128 -8.622 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.883 -7.116 1.604 1.00 0.00 H new ATOM 561 N ARG A 36 11.336 -4.940 3.188 1.00 0.00 N ATOM 562 CA ARG A 36 11.630 -3.542 2.895 1.00 0.00 C ATOM 563 C ARG A 36 11.321 -3.206 1.437 1.00 0.00 C ATOM 564 O ARG A 36 11.142 -2.041 1.084 1.00 0.00 O ATOM 565 CB ARG A 36 13.097 -3.234 3.203 1.00 0.00 C ATOM 566 CG ARG A 36 13.299 -1.929 3.956 1.00 0.00 C ATOM 567 CD ARG A 36 13.409 -0.748 3.004 1.00 0.00 C ATOM 568 NE ARG A 36 14.783 -0.526 2.562 1.00 0.00 N ATOM 569 CZ ARG A 36 15.132 0.377 1.649 1.00 0.00 C ATOM 570 NH1 ARG A 36 14.211 1.145 1.080 1.00 0.00 N ATOM 571 NH2 ARG A 36 16.405 0.514 1.305 1.00 0.00 N ATOM 0 H ARG A 36 12.154 -5.503 3.423 1.00 0.00 H new ATOM 0 HA ARG A 36 10.993 -2.925 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.516 -4.051 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.656 -3.195 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.466 -1.770 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.202 -1.994 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.773 -0.922 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.037 0.150 3.497 1.00 0.00 H new ATOM 0 HE ARG A 36 15.519 -1.097 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.230 1.045 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.484 1.836 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.117 -0.073 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.673 1.206 0.605 1.00 0.00 H new ATOM 585 N HIS A 37 11.262 -4.233 0.593 1.00 0.00 N ATOM 586 CA HIS A 37 10.978 -4.040 -0.825 1.00 0.00 C ATOM 587 C HIS A 37 9.504 -3.715 -1.050 1.00 0.00 C ATOM 588 O HIS A 37 9.169 -2.798 -1.800 1.00 0.00 O ATOM 589 CB HIS A 37 11.363 -5.292 -1.616 1.00 0.00 C ATOM 590 CG HIS A 37 12.042 -4.993 -2.917 1.00 0.00 C ATOM 591 ND1 HIS A 37 13.238 -5.568 -3.291 1.00 0.00 N ATOM 592 CD2 HIS A 37 11.686 -4.173 -3.935 1.00 0.00 C ATOM 593 CE1 HIS A 37 13.589 -5.115 -4.481 1.00 0.00 C ATOM 594 NE2 HIS A 37 12.665 -4.269 -4.894 1.00 0.00 N ATOM 0 H HIS A 37 11.407 -5.205 0.866 1.00 0.00 H new ATOM 0 HA HIS A 37 11.572 -3.197 -1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.022 -5.909 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.466 -5.879 -1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.799 -3.559 -3.984 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.481 -5.390 -5.024 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.676 -3.767 -5.782 1.00 0.00 H new ATOM 603 N LEU A 38 8.626 -4.473 -0.400 1.00 0.00 N ATOM 604 CA LEU A 38 7.189 -4.263 -0.535 1.00 0.00 C ATOM 605 C LEU A 38 6.694 -3.210 0.451 1.00 0.00 C ATOM 606 O LEU A 38 5.731 -2.493 0.178 1.00 0.00 O ATOM 607 CB LEU A 38 6.437 -5.578 -0.315 1.00 0.00 C ATOM 608 CG LEU A 38 6.889 -6.739 -1.203 1.00 0.00 C ATOM 609 CD1 LEU A 38 6.801 -8.055 -0.448 1.00 0.00 C ATOM 610 CD2 LEU A 38 6.052 -6.793 -2.472 1.00 0.00 C ATOM 0 H LEU A 38 8.884 -5.237 0.224 1.00 0.00 H new ATOM 0 HA LEU A 38 6.995 -3.905 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.550 -5.873 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.374 -5.404 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 38 7.930 -6.575 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.127 -8.869 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.443 -8.013 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.771 -8.228 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.386 -7.624 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.003 -6.934 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.166 -5.860 -3.023 1.00 0.00 H new ATOM 622 N PHE A 39 7.357 -3.123 1.599 1.00 0.00 N ATOM 623 CA PHE A 39 6.984 -2.158 2.627 1.00 0.00 C ATOM 624 C PHE A 39 8.094 -1.135 2.842 1.00 0.00 C ATOM 625 O PHE A 39 9.266 -1.413 2.588 1.00 0.00 O ATOM 626 CB PHE A 39 6.673 -2.877 3.941 1.00 0.00 C ATOM 627 CG PHE A 39 5.650 -3.968 3.800 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.936 -5.115 3.076 1.00 0.00 C ATOM 629 CD2 PHE A 39 4.403 -3.846 4.391 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.997 -6.120 2.944 1.00 0.00 C ATOM 631 CE2 PHE A 39 3.459 -4.848 4.262 1.00 0.00 C ATOM 632 CZ PHE A 39 3.757 -5.986 3.538 1.00 0.00 C ATOM 0 H PHE A 39 8.156 -3.709 1.841 1.00 0.00 H new ATOM 0 HA PHE A 39 6.091 -1.631 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.594 -3.303 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.317 -2.148 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.904 -5.224 2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.166 -2.958 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.232 -7.009 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.490 -4.741 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.021 -6.770 3.436 1.00 0.00 H new ATOM 642 N GLN A 40 7.717 0.049 3.311 1.00 0.00 N ATOM 643 CA GLN A 40 8.680 1.115 3.560 1.00 0.00 C ATOM 644 C GLN A 40 9.404 0.897 4.886 1.00 0.00 C ATOM 645 O GLN A 40 9.067 -0.009 5.647 1.00 0.00 O ATOM 646 CB GLN A 40 7.977 2.474 3.565 1.00 0.00 C ATOM 647 CG GLN A 40 8.682 3.526 2.723 1.00 0.00 C ATOM 648 CD GLN A 40 8.223 3.519 1.278 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.058 3.783 0.983 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.141 3.215 0.368 1.00 0.00 N ATOM 0 H GLN A 40 6.751 0.295 3.527 1.00 0.00 H new ATOM 0 HA GLN A 40 9.418 1.099 2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.959 2.348 3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.903 2.832 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.502 4.511 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.758 3.354 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.096 3.003 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.892 3.194 -0.621 1.00 0.00 H new ATOM 659 N THR A 41 10.398 1.737 5.154 1.00 0.00 N ATOM 660 CA THR A 41 11.169 1.640 6.388 1.00 0.00 C ATOM 661 C THR A 41 10.398 2.235 7.564 1.00 0.00 C ATOM 662 O THR A 41 10.651 1.894 8.719 1.00 0.00 O ATOM 663 CB THR A 41 12.513 2.353 6.231 1.00 0.00 C ATOM 664 OG1 THR A 41 13.082 2.077 4.963 1.00 0.00 O ATOM 665 CG2 THR A 41 13.525 1.961 7.285 1.00 0.00 C ATOM 0 H THR A 41 10.689 2.492 4.533 1.00 0.00 H new ATOM 0 HA THR A 41 11.346 0.584 6.593 1.00 0.00 H new ATOM 0 HB THR A 41 12.292 3.415 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.940 2.543 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.455 2.503 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.136 2.208 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.714 0.889 7.227 1.00 0.00 H new ATOM 673 N ARG A 42 9.458 3.128 7.264 1.00 0.00 N ATOM 674 CA ARG A 42 8.654 3.768 8.299 1.00 0.00 C ATOM 675 C ARG A 42 7.340 3.022 8.521 1.00 0.00 C ATOM 676 O ARG A 42 6.391 3.575 9.076 1.00 0.00 O ATOM 677 CB ARG A 42 8.369 5.223 7.923 1.00 0.00 C ATOM 678 CG ARG A 42 8.147 6.129 9.123 1.00 0.00 C ATOM 679 CD ARG A 42 8.555 7.562 8.822 1.00 0.00 C ATOM 680 NE ARG A 42 10.006 7.734 8.844 1.00 0.00 N ATOM 681 CZ ARG A 42 10.640 8.759 8.279 1.00 0.00 C ATOM 682 NH1 ARG A 42 9.956 9.706 7.648 1.00 0.00 N ATOM 683 NH2 ARG A 42 11.962 8.839 8.345 1.00 0.00 N ATOM 0 H ARG A 42 9.235 3.424 6.314 1.00 0.00 H new ATOM 0 HA ARG A 42 9.223 3.741 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.203 5.608 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.487 5.258 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.096 6.102 9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.720 5.757 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.170 7.851 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.100 8.230 9.553 1.00 0.00 H new ATOM 0 HE ARG A 42 10.566 7.027 9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.939 9.651 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.448 10.489 7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.493 8.115 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.448 9.625 7.912 1.00 0.00 H new ATOM 697 N ALA A 43 7.288 1.766 8.087 1.00 0.00 N ATOM 698 CA ALA A 43 6.089 0.953 8.244 1.00 0.00 C ATOM 699 C ALA A 43 6.335 -0.205 9.205 1.00 0.00 C ATOM 700 O ALA A 43 6.903 -1.230 8.826 1.00 0.00 O ATOM 701 CB ALA A 43 5.625 0.430 6.892 1.00 0.00 C ATOM 0 H ALA A 43 8.063 1.290 7.624 1.00 0.00 H new ATOM 0 HA ALA A 43 5.305 1.582 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.729 -0.176 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.402 1.270 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.412 -0.179 6.448 1.00 0.00 H new ATOM 707 N THR A 44 5.905 -0.034 10.451 1.00 0.00 N ATOM 708 CA THR A 44 6.079 -1.065 11.469 1.00 0.00 C ATOM 709 C THR A 44 4.737 -1.504 12.054 1.00 0.00 C ATOM 710 O THR A 44 4.688 -2.358 12.939 1.00 0.00 O ATOM 711 CB THR A 44 6.988 -0.554 12.587 1.00 0.00 C ATOM 712 OG1 THR A 44 6.365 0.501 13.297 1.00 0.00 O ATOM 713 CG2 THR A 44 8.323 -0.045 12.087 1.00 0.00 C ATOM 0 H THR A 44 5.434 0.808 10.780 1.00 0.00 H new ATOM 0 HA THR A 44 6.541 -1.929 10.991 1.00 0.00 H new ATOM 0 HB THR A 44 7.164 -1.415 13.232 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.962 0.813 14.009 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.919 0.303 12.931 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.851 -0.850 11.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.161 0.780 11.393 1.00 0.00 H new ATOM 721 N THR A 45 3.649 -0.918 11.559 1.00 0.00 N ATOM 722 CA THR A 45 2.315 -1.256 12.041 1.00 0.00 C ATOM 723 C THR A 45 1.280 -1.105 10.931 1.00 0.00 C ATOM 724 O THR A 45 1.572 -0.559 9.867 1.00 0.00 O ATOM 725 CB THR A 45 1.940 -0.369 13.229 1.00 0.00 C ATOM 726 OG1 THR A 45 2.079 1.000 12.896 1.00 0.00 O ATOM 727 CG2 THR A 45 2.781 -0.629 14.460 1.00 0.00 C ATOM 0 H THR A 45 3.666 -0.209 10.826 1.00 0.00 H new ATOM 0 HA THR A 45 2.325 -2.297 12.363 1.00 0.00 H new ATOM 0 HB THR A 45 0.904 -0.617 13.458 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.833 1.551 13.668 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.463 0.034 15.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.657 -1.666 14.773 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.830 -0.442 14.230 1.00 0.00 H new ATOM 735 N LEU A 46 0.071 -1.593 11.186 1.00 0.00 N ATOM 736 CA LEU A 46 -1.008 -1.512 10.208 1.00 0.00 C ATOM 737 C LEU A 46 -1.305 -0.061 9.845 1.00 0.00 C ATOM 738 O LEU A 46 -1.433 0.282 8.670 1.00 0.00 O ATOM 739 CB LEU A 46 -2.271 -2.183 10.753 1.00 0.00 C ATOM 740 CG LEU A 46 -2.221 -3.711 10.801 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.501 -4.268 11.404 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.993 -4.280 9.409 1.00 0.00 C ATOM 0 H LEU A 46 -0.187 -2.049 12.061 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.688 -2.035 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.458 -1.809 11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.119 -1.881 10.138 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.386 -4.009 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.447 -5.356 11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.622 -3.886 12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.353 -3.961 10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.960 -5.368 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.807 -3.973 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.048 -3.907 9.014 1.00 0.00 H new ATOM 754 N GLN A 47 -1.409 0.789 10.862 1.00 0.00 N ATOM 755 CA GLN A 47 -1.688 2.204 10.650 1.00 0.00 C ATOM 756 C GLN A 47 -0.575 2.856 9.836 1.00 0.00 C ATOM 757 O GLN A 47 -0.820 3.776 9.057 1.00 0.00 O ATOM 758 CB GLN A 47 -1.845 2.922 11.991 1.00 0.00 C ATOM 759 CG GLN A 47 -0.684 2.690 12.946 1.00 0.00 C ATOM 760 CD GLN A 47 -0.005 3.979 13.365 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.325 4.553 14.406 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.940 4.441 12.554 1.00 0.00 N ATOM 0 H GLN A 47 -1.304 0.522 11.841 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.621 2.288 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.948 3.992 11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.768 2.589 12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.047 2.170 13.833 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.047 2.037 12.470 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.173 3.933 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.432 5.304 12.784 1.00 0.00 H new ATOM 771 N ALA A 48 0.648 2.369 10.022 1.00 0.00 N ATOM 772 CA ALA A 48 1.799 2.901 9.303 1.00 0.00 C ATOM 773 C ALA A 48 1.744 2.516 7.829 1.00 0.00 C ATOM 774 O ALA A 48 2.136 3.293 6.958 1.00 0.00 O ATOM 775 CB ALA A 48 3.091 2.404 9.933 1.00 0.00 C ATOM 0 H ALA A 48 0.867 1.607 10.664 1.00 0.00 H new ATOM 0 HA ALA A 48 1.772 3.989 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.942 2.809 9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.139 2.731 10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.120 1.315 9.894 1.00 0.00 H new ATOM 781 N CYS A 49 1.252 1.311 7.557 1.00 0.00 N ATOM 782 CA CYS A 49 1.142 0.823 6.188 1.00 0.00 C ATOM 783 C CYS A 49 0.160 1.673 5.390 1.00 0.00 C ATOM 784 O CYS A 49 0.495 2.192 4.325 1.00 0.00 O ATOM 785 CB CYS A 49 0.694 -0.640 6.180 1.00 0.00 C ATOM 786 SG CYS A 49 2.056 -1.829 6.157 1.00 0.00 S ATOM 0 H CYS A 49 0.924 0.656 8.266 1.00 0.00 H new ATOM 0 HA CYS A 49 2.124 0.896 5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.079 -0.825 7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.062 -0.811 5.308 1.00 0.00 H new ATOM 0 HG CYS A 49 1.577 -3.038 6.153 1.00 0.00 H new ATOM 792 N LEU A 50 -1.053 1.816 5.914 1.00 0.00 N ATOM 793 CA LEU A 50 -2.082 2.607 5.252 1.00 0.00 C ATOM 794 C LEU A 50 -1.644 4.062 5.124 1.00 0.00 C ATOM 795 O LEU A 50 -1.816 4.684 4.076 1.00 0.00 O ATOM 796 CB LEU A 50 -3.399 2.524 6.026 1.00 0.00 C ATOM 797 CG LEU A 50 -4.063 1.147 6.028 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.203 1.106 7.034 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.566 0.796 4.636 1.00 0.00 C ATOM 0 H LEU A 50 -1.347 1.394 6.795 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.233 2.200 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.216 2.824 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.097 3.247 5.603 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.319 0.406 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.664 0.118 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.816 1.313 8.032 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.948 1.857 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.036 -0.187 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.295 1.540 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.728 0.784 3.939 1.00 0.00 H new ATOM 811 N ASP A 51 -1.071 4.597 6.198 1.00 0.00 N ATOM 812 CA ASP A 51 -0.603 5.977 6.205 1.00 0.00 C ATOM 813 C ASP A 51 0.529 6.167 5.202 1.00 0.00 C ATOM 814 O ASP A 51 0.567 7.156 4.471 1.00 0.00 O ATOM 815 CB ASP A 51 -0.132 6.372 7.606 1.00 0.00 C ATOM 816 CG ASP A 51 -0.111 7.874 7.807 1.00 0.00 C ATOM 817 OD1 ASP A 51 0.094 8.604 6.814 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.300 8.322 8.958 1.00 0.00 O ATOM 0 H ASP A 51 -0.920 4.096 7.073 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.434 6.620 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.788 5.918 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.867 5.971 7.777 1.00 0.00 H new ATOM 823 N GLU A 52 1.449 5.207 5.169 1.00 0.00 N ATOM 824 CA GLU A 52 2.581 5.265 4.252 1.00 0.00 C ATOM 825 C GLU A 52 2.100 5.295 2.806 1.00 0.00 C ATOM 826 O GLU A 52 2.607 6.063 1.988 1.00 0.00 O ATOM 827 CB GLU A 52 3.504 4.064 4.471 1.00 0.00 C ATOM 828 CG GLU A 52 4.820 4.164 3.717 1.00 0.00 C ATOM 829 CD GLU A 52 5.564 5.452 4.010 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.641 5.837 5.195 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.069 6.076 3.053 1.00 0.00 O ATOM 0 H GLU A 52 1.432 4.381 5.767 1.00 0.00 H new ATOM 0 HA GLU A 52 3.137 6.181 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.712 3.965 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.986 3.156 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.451 3.316 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.627 4.096 2.646 1.00 0.00 H new ATOM 838 N ALA A 53 1.114 4.458 2.499 1.00 0.00 N ATOM 839 CA ALA A 53 0.560 4.392 1.153 1.00 0.00 C ATOM 840 C ALA A 53 -0.040 5.734 0.749 1.00 0.00 C ATOM 841 O ALA A 53 0.133 6.188 -0.382 1.00 0.00 O ATOM 842 CB ALA A 53 -0.489 3.294 1.066 1.00 0.00 C ATOM 0 H ALA A 53 0.683 3.816 3.165 1.00 0.00 H new ATOM 0 HA ALA A 53 1.369 4.158 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.894 3.257 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.033 2.335 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.293 3.503 1.771 1.00 0.00 H new ATOM 848 N GLY A 54 -0.743 6.365 1.684 1.00 0.00 N ATOM 849 CA GLY A 54 -1.356 7.651 1.410 1.00 0.00 C ATOM 850 C GLY A 54 -0.334 8.704 1.030 1.00 0.00 C ATOM 851 O GLY A 54 -0.537 9.463 0.083 1.00 0.00 O ATOM 0 H GLY A 54 -0.899 6.008 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.080 7.542 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.908 7.983 2.289 1.00 0.00 H new ATOM 855 N ASP A 55 0.769 8.747 1.771 1.00 0.00 N ATOM 856 CA ASP A 55 1.829 9.712 1.505 1.00 0.00 C ATOM 857 C ASP A 55 2.455 9.460 0.137 1.00 0.00 C ATOM 858 O ASP A 55 2.789 10.399 -0.586 1.00 0.00 O ATOM 859 CB ASP A 55 2.901 9.637 2.596 1.00 0.00 C ATOM 860 CG ASP A 55 3.146 10.979 3.258 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.382 11.334 4.181 1.00 0.00 O ATOM 862 OD2 ASP A 55 4.101 11.675 2.855 1.00 0.00 O ATOM 0 H ASP A 55 0.951 8.126 2.559 1.00 0.00 H new ATOM 0 HA ASP A 55 1.392 10.711 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.597 8.912 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.832 9.273 2.162 1.00 0.00 H new ATOM 867 N ASN A 56 2.606 8.187 -0.212 1.00 0.00 N ATOM 868 CA ASN A 56 3.187 7.810 -1.495 1.00 0.00 C ATOM 869 C ASN A 56 2.313 8.297 -2.645 1.00 0.00 C ATOM 870 O ASN A 56 2.816 8.781 -3.660 1.00 0.00 O ATOM 871 CB ASN A 56 3.358 6.292 -1.576 1.00 0.00 C ATOM 872 CG ASN A 56 4.714 5.836 -1.073 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.745 6.404 -1.433 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.719 4.805 -0.237 1.00 0.00 N ATOM 0 H ASN A 56 2.334 7.399 0.376 1.00 0.00 H new ATOM 0 HA ASN A 56 4.166 8.282 -1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.575 5.809 -0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.229 5.969 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.602 4.453 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.840 4.364 0.035 1.00 0.00 H new ATOM 881 N LEU A 57 1.000 8.170 -2.478 1.00 0.00 N ATOM 882 CA LEU A 57 0.054 8.600 -3.500 1.00 0.00 C ATOM 883 C LEU A 57 0.152 10.105 -3.725 1.00 0.00 C ATOM 884 O LEU A 57 0.176 10.572 -4.864 1.00 0.00 O ATOM 885 CB LEU A 57 -1.372 8.223 -3.095 1.00 0.00 C ATOM 886 CG LEU A 57 -1.733 6.749 -3.297 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.456 6.202 -2.076 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.586 6.574 -4.545 1.00 0.00 C ATOM 0 H LEU A 57 0.568 7.773 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 57 0.303 8.093 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.514 8.476 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.070 8.834 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.809 6.186 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.704 5.153 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.811 6.290 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.372 6.770 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.833 5.520 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.504 7.152 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.033 6.925 -5.416 1.00 0.00 H new ATOM 900 N ALA A 58 0.212 10.859 -2.632 1.00 0.00 N ATOM 901 CA ALA A 58 0.312 12.311 -2.711 1.00 0.00 C ATOM 902 C ALA A 58 1.574 12.728 -3.456 1.00 0.00 C ATOM 903 O ALA A 58 1.531 13.579 -4.345 1.00 0.00 O ATOM 904 CB ALA A 58 0.294 12.918 -1.316 1.00 0.00 C ATOM 0 H ALA A 58 0.193 10.488 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.549 12.683 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.369 14.003 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.637 12.652 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.137 12.534 -0.741 1.00 0.00 H new ATOM 910 N ALA A 59 2.697 12.118 -3.091 1.00 0.00 N ATOM 911 CA ALA A 59 3.972 12.422 -3.728 1.00 0.00 C ATOM 912 C ALA A 59 3.950 12.032 -5.201 1.00 0.00 C ATOM 913 O ALA A 59 4.606 12.661 -6.031 1.00 0.00 O ATOM 914 CB ALA A 59 5.106 11.708 -3.007 1.00 0.00 C ATOM 0 H ALA A 59 2.749 11.411 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 59 4.138 13.497 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.052 11.944 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.140 12.036 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.939 10.631 -3.042 1.00 0.00 H new ATOM 920 N LEU A 60 3.188 10.990 -5.519 1.00 0.00 N ATOM 921 CA LEU A 60 3.076 10.515 -6.893 1.00 0.00 C ATOM 922 C LEU A 60 2.475 11.592 -7.790 1.00 0.00 C ATOM 923 O LEU A 60 3.097 12.022 -8.761 1.00 0.00 O ATOM 924 CB LEU A 60 2.217 9.250 -6.948 1.00 0.00 C ATOM 925 CG LEU A 60 2.208 8.532 -8.298 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.337 7.516 -8.370 1.00 0.00 C ATOM 927 CD2 LEU A 60 0.865 7.856 -8.532 1.00 0.00 C ATOM 0 H LEU A 60 2.639 10.459 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 60 4.077 10.281 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.571 8.555 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.192 9.514 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 60 2.363 9.272 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.315 7.015 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.293 8.025 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.214 6.779 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.876 7.350 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.682 7.128 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.074 8.606 -8.524 1.00 0.00 H new ATOM 939 N ARG A 61 1.264 12.025 -7.456 1.00 0.00 N ATOM 940 CA ARG A 61 0.581 13.055 -8.229 1.00 0.00 C ATOM 941 C ARG A 61 1.379 14.355 -8.225 1.00 0.00 C ATOM 942 O ARG A 61 1.313 15.139 -9.171 1.00 0.00 O ATOM 943 CB ARG A 61 -0.821 13.301 -7.667 1.00 0.00 C ATOM 944 CG ARG A 61 -0.853 13.447 -6.154 1.00 0.00 C ATOM 945 CD ARG A 61 -2.175 14.029 -5.679 1.00 0.00 C ATOM 946 NE ARG A 61 -3.316 13.235 -6.129 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.662 12.066 -5.595 1.00 0.00 C ATOM 948 NH1 ARG A 61 -2.961 11.553 -4.592 1.00 0.00 N ATOM 949 NH2 ARG A 61 -4.714 11.408 -6.065 1.00 0.00 N ATOM 0 H ARG A 61 0.736 11.679 -6.655 1.00 0.00 H new ATOM 0 HA ARG A 61 0.495 12.705 -9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.232 14.204 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.470 12.475 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.695 12.473 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.034 14.090 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.177 14.082 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.275 15.050 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.880 13.598 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.152 12.055 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.231 10.657 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.257 11.798 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.980 10.512 -5.656 1.00 0.00 H new ATOM 963 N HIS A 62 2.135 14.575 -7.154 1.00 0.00 N ATOM 964 CA HIS A 62 2.949 15.777 -7.026 1.00 0.00 C ATOM 965 C HIS A 62 4.208 15.672 -7.881 1.00 0.00 C ATOM 966 O HIS A 62 4.720 16.676 -8.376 1.00 0.00 O ATOM 967 CB HIS A 62 3.330 16.007 -5.563 1.00 0.00 C ATOM 968 CG HIS A 62 3.801 17.400 -5.279 1.00 0.00 C ATOM 969 ND1 HIS A 62 3.134 18.262 -4.434 1.00 0.00 N ATOM 970 CD2 HIS A 62 4.881 18.080 -5.732 1.00 0.00 C ATOM 971 CE1 HIS A 62 3.782 19.412 -4.381 1.00 0.00 C ATOM 972 NE2 HIS A 62 4.845 19.327 -5.159 1.00 0.00 N ATOM 0 H HIS A 62 2.200 13.936 -6.362 1.00 0.00 H new ATOM 0 HA HIS A 62 2.361 16.625 -7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.468 15.788 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.115 15.303 -5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.630 17.710 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.491 20.275 -3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.529 20.068 -5.310 1.00 0.00 H new ATOM 981 N ALA A 63 4.702 14.450 -8.048 1.00 0.00 N ATOM 982 CA ALA A 63 5.902 14.211 -8.841 1.00 0.00 C ATOM 983 C ALA A 63 5.676 14.572 -10.305 1.00 0.00 C ATOM 984 O ALA A 63 6.488 15.266 -10.916 1.00 0.00 O ATOM 985 CB ALA A 63 6.336 12.759 -8.715 1.00 0.00 C ATOM 0 H ALA A 63 4.289 13.609 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 63 6.695 14.852 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.233 12.594 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.549 12.532 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.538 12.108 -9.072 1.00 0.00 H new ATOM 991 N VAL A 64 4.567 14.096 -10.864 1.00 0.00 N ATOM 992 CA VAL A 64 4.237 14.368 -12.259 1.00 0.00 C ATOM 993 C VAL A 64 4.249 15.867 -12.549 1.00 0.00 C ATOM 994 O VAL A 64 4.486 16.288 -13.681 1.00 0.00 O ATOM 995 CB VAL A 64 2.859 13.792 -12.637 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.873 12.274 -12.550 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.772 14.375 -11.747 1.00 0.00 C ATOM 0 H VAL A 64 3.883 13.521 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 64 5.002 13.880 -12.862 1.00 0.00 H new ATOM 0 HB VAL A 64 2.640 14.072 -13.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.891 11.885 -12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.622 11.877 -13.235 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.116 11.970 -11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.806 13.956 -12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.983 14.130 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.746 15.458 -11.866 1.00 0.00 H new ATOM 1007 N GLU A 65 3.994 16.667 -11.518 1.00 0.00 N ATOM 1008 CA GLU A 65 3.980 18.118 -11.663 1.00 0.00 C ATOM 1009 C GLU A 65 5.399 18.669 -11.776 1.00 0.00 C ATOM 1010 O GLU A 65 5.613 19.748 -12.329 1.00 0.00 O ATOM 1011 CB GLU A 65 3.264 18.763 -10.475 1.00 0.00 C ATOM 1012 CG GLU A 65 1.846 18.253 -10.269 1.00 0.00 C ATOM 1013 CD GLU A 65 0.836 18.972 -11.140 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.452 20.108 -10.790 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.428 18.400 -12.173 1.00 0.00 O ATOM 0 H GLU A 65 3.795 16.335 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 65 3.442 18.361 -12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.842 18.579 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.235 19.843 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.813 17.185 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.569 18.374 -9.222 1.00 0.00 H new ATOM 1022 N GLN A 66 6.366 17.923 -11.249 1.00 0.00 N ATOM 1023 CA GLN A 66 7.763 18.340 -11.292 1.00 0.00 C ATOM 1024 C GLN A 66 8.555 17.510 -12.300 1.00 0.00 C ATOM 1025 O GLN A 66 9.780 17.424 -12.220 1.00 0.00 O ATOM 1026 CB GLN A 66 8.396 18.217 -9.905 1.00 0.00 C ATOM 1027 CG GLN A 66 9.670 19.030 -9.743 1.00 0.00 C ATOM 1028 CD GLN A 66 9.864 19.533 -8.326 1.00 0.00 C ATOM 1029 OE1 GLN A 66 8.987 19.383 -7.476 1.00 0.00 O ATOM 1030 NE2 GLN A 66 11.019 20.135 -8.066 1.00 0.00 N ATOM 0 H GLN A 66 6.207 17.027 -10.788 1.00 0.00 H new ATOM 0 HA GLN A 66 7.792 19.383 -11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.673 18.537 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.617 17.168 -9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.526 18.418 -10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.644 19.879 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.718 20.237 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.207 20.495 -7.130 1.00 0.00 H new ATOM 1039 N GLN A 67 7.849 16.902 -13.251 1.00 0.00 N ATOM 1040 CA GLN A 67 8.488 16.083 -14.275 1.00 0.00 C ATOM 1041 C GLN A 67 9.187 14.874 -13.657 1.00 0.00 C ATOM 1042 O GLN A 67 10.383 14.663 -13.859 1.00 0.00 O ATOM 1043 CB GLN A 67 9.493 16.919 -15.072 1.00 0.00 C ATOM 1044 CG GLN A 67 8.873 18.128 -15.754 1.00 0.00 C ATOM 1045 CD GLN A 67 8.026 17.750 -16.954 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.473 17.843 -18.097 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.796 17.322 -16.699 1.00 0.00 N ATOM 0 H GLN A 67 6.834 16.962 -13.333 1.00 0.00 H new ATOM 0 HA GLN A 67 7.711 15.720 -14.948 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.284 17.256 -14.403 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.961 16.287 -15.827 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.258 18.670 -15.036 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.664 18.807 -16.072 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.467 17.261 -15.736 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.180 17.054 -17.466 1.00 0.00 H new ATOM 1056 N GLN A 68 8.430 14.079 -12.908 1.00 0.00 N ATOM 1057 CA GLN A 68 8.974 12.887 -12.266 1.00 0.00 C ATOM 1058 C GLN A 68 8.317 11.628 -12.826 1.00 0.00 C ATOM 1059 O GLN A 68 8.060 10.669 -12.097 1.00 0.00 O ATOM 1060 CB GLN A 68 8.772 12.959 -10.750 1.00 0.00 C ATOM 1061 CG GLN A 68 10.016 13.393 -9.992 1.00 0.00 C ATOM 1062 CD GLN A 68 9.979 14.858 -9.601 1.00 0.00 C ATOM 1063 OE1 GLN A 68 10.193 15.739 -10.434 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.709 15.125 -8.329 1.00 0.00 N ATOM 0 H GLN A 68 7.438 14.238 -12.730 1.00 0.00 H new ATOM 0 HA GLN A 68 10.043 12.842 -12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.962 13.655 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.458 11.981 -10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.121 12.784 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.896 13.207 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.538 14.363 -7.673 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.672 16.092 -8.008 1.00 0.00 H new ATOM 1073 N LEU A 69 8.047 11.642 -14.127 1.00 0.00 N ATOM 1074 CA LEU A 69 7.418 10.508 -14.796 1.00 0.00 C ATOM 1075 C LEU A 69 8.175 9.207 -14.524 1.00 0.00 C ATOM 1076 O LEU A 69 7.599 8.245 -14.015 1.00 0.00 O ATOM 1077 CB LEU A 69 7.333 10.761 -16.303 1.00 0.00 C ATOM 1078 CG LEU A 69 6.277 11.783 -16.729 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.749 12.565 -17.944 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.954 11.091 -17.018 1.00 0.00 C ATOM 0 H LEU A 69 8.255 12.429 -14.741 1.00 0.00 H new ATOM 0 HA LEU A 69 6.411 10.402 -14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.307 11.100 -16.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.125 9.815 -16.804 1.00 0.00 H new ATOM 0 HG LEU A 69 6.126 12.485 -15.909 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.984 13.287 -18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.672 13.092 -17.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.929 11.878 -18.771 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.214 11.832 -17.320 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.090 10.367 -17.821 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.608 10.578 -16.121 1.00 0.00 H new ATOM 1092 N PRO A 70 9.479 9.153 -14.858 1.00 0.00 N ATOM 1093 CA PRO A 70 10.296 7.955 -14.641 1.00 0.00 C ATOM 1094 C PRO A 70 10.227 7.462 -13.199 1.00 0.00 C ATOM 1095 O PRO A 70 10.426 6.279 -12.927 1.00 0.00 O ATOM 1096 CB PRO A 70 11.723 8.407 -14.988 1.00 0.00 C ATOM 1097 CG PRO A 70 11.665 9.897 -15.066 1.00 0.00 C ATOM 1098 CD PRO A 70 10.261 10.237 -15.468 1.00 0.00 C ATOM 0 HA PRO A 70 9.950 7.118 -15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.433 8.082 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.051 7.977 -15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.916 10.348 -14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.382 10.278 -15.794 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.958 11.215 -15.094 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.144 10.260 -16.551 1.00 0.00 H new ATOM 1106 N GLN A 71 9.940 8.377 -12.278 1.00 0.00 N ATOM 1107 CA GLN A 71 9.841 8.032 -10.864 1.00 0.00 C ATOM 1108 C GLN A 71 8.505 7.362 -10.561 1.00 0.00 C ATOM 1109 O GLN A 71 8.405 6.533 -9.656 1.00 0.00 O ATOM 1110 CB GLN A 71 10.006 9.284 -10.000 1.00 0.00 C ATOM 1111 CG GLN A 71 11.449 9.578 -9.624 1.00 0.00 C ATOM 1112 CD GLN A 71 12.296 9.960 -10.822 1.00 0.00 C ATOM 1113 OE1 GLN A 71 13.355 9.379 -11.059 1.00 0.00 O ATOM 1114 NE2 GLN A 71 11.833 10.943 -11.585 1.00 0.00 N ATOM 0 H GLN A 71 9.772 9.362 -12.485 1.00 0.00 H new ATOM 0 HA GLN A 71 10.641 7.329 -10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.597 10.141 -10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.419 9.167 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.473 10.387 -8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.881 8.701 -9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.950 11.397 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.360 11.244 -12.405 1.00 0.00 H new ATOM 1123 N VAL A 72 7.480 7.726 -11.326 1.00 0.00 N ATOM 1124 CA VAL A 72 6.149 7.160 -11.142 1.00 0.00 C ATOM 1125 C VAL A 72 6.166 5.644 -11.309 1.00 0.00 C ATOM 1126 O VAL A 72 5.348 4.937 -10.721 1.00 0.00 O ATOM 1127 CB VAL A 72 5.140 7.763 -12.138 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.728 7.290 -11.824 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.217 9.282 -12.122 1.00 0.00 C ATOM 0 H VAL A 72 7.546 8.411 -12.079 1.00 0.00 H new ATOM 0 HA VAL A 72 5.839 7.407 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 72 5.398 7.419 -13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.031 7.727 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.685 6.203 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.456 7.601 -10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.497 9.690 -12.832 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.987 9.647 -11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.222 9.598 -12.402 1.00 0.00 H new ATOM 1139 N ALA A 73 7.102 5.151 -12.114 1.00 0.00 N ATOM 1140 CA ALA A 73 7.223 3.719 -12.356 1.00 0.00 C ATOM 1141 C ALA A 73 7.511 2.966 -11.063 1.00 0.00 C ATOM 1142 O ALA A 73 6.867 1.961 -10.761 1.00 0.00 O ATOM 1143 CB ALA A 73 8.314 3.448 -13.382 1.00 0.00 C ATOM 0 H ALA A 73 7.787 5.722 -12.609 1.00 0.00 H new ATOM 0 HA ALA A 73 6.272 3.360 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.394 2.375 -13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.065 3.947 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.266 3.828 -13.010 1.00 0.00 H new ATOM 1149 N TRP A 74 8.484 3.458 -10.302 1.00 0.00 N ATOM 1150 CA TRP A 74 8.859 2.831 -9.040 1.00 0.00 C ATOM 1151 C TRP A 74 7.741 2.967 -8.011 1.00 0.00 C ATOM 1152 O TRP A 74 7.359 1.993 -7.362 1.00 0.00 O ATOM 1153 CB TRP A 74 10.146 3.455 -8.499 1.00 0.00 C ATOM 1154 CG TRP A 74 11.117 2.447 -7.963 1.00 0.00 C ATOM 1155 CD1 TRP A 74 11.499 1.280 -8.560 1.00 0.00 C ATOM 1156 CD2 TRP A 74 11.828 2.516 -6.722 1.00 0.00 C ATOM 1157 NE1 TRP A 74 12.404 0.619 -7.766 1.00 0.00 N ATOM 1158 CE2 TRP A 74 12.623 1.357 -6.632 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.871 3.445 -5.679 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.450 1.104 -5.541 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.692 3.192 -4.596 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.472 2.031 -4.534 1.00 0.00 C ATOM 0 H TRP A 74 9.027 4.289 -10.538 1.00 0.00 H new ATOM 0 HA TRP A 74 9.029 1.771 -9.226 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.627 4.025 -9.294 1.00 0.00 H new ATOM 0 HB3 TRP A 74 9.894 4.162 -7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.142 0.928 -9.517 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.842 -0.276 -7.985 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.274 4.344 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.052 0.209 -5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.732 3.902 -3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.104 1.863 -3.674 1.00 0.00 H new ATOM 1173 N LEU A 75 7.220 4.181 -7.867 1.00 0.00 N ATOM 1174 CA LEU A 75 6.146 4.444 -6.917 1.00 0.00 C ATOM 1175 C LEU A 75 4.894 3.650 -7.276 1.00 0.00 C ATOM 1176 O LEU A 75 4.146 3.220 -6.398 1.00 0.00 O ATOM 1177 CB LEU A 75 5.822 5.939 -6.882 1.00 0.00 C ATOM 1178 CG LEU A 75 7.015 6.853 -6.595 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.861 8.178 -7.325 1.00 0.00 C ATOM 1180 CD2 LEU A 75 7.162 7.081 -5.098 1.00 0.00 C ATOM 0 H LEU A 75 7.524 4.998 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 75 6.484 4.129 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.388 6.224 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.060 6.112 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 75 7.919 6.365 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.719 8.815 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.805 7.998 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.949 8.673 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.015 7.733 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.257 7.548 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.320 6.125 -4.598 1.00 0.00 H new ATOM 1192 N ALA A 76 4.672 3.459 -8.572 1.00 0.00 N ATOM 1193 CA ALA A 76 3.511 2.717 -9.048 1.00 0.00 C ATOM 1194 C ALA A 76 3.569 1.261 -8.601 1.00 0.00 C ATOM 1195 O ALA A 76 2.632 0.752 -7.985 1.00 0.00 O ATOM 1196 CB ALA A 76 3.417 2.802 -10.564 1.00 0.00 C ATOM 0 H ALA A 76 5.281 3.808 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 76 2.619 3.168 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.546 2.244 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.321 3.845 -10.865 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.317 2.378 -11.009 1.00 0.00 H new ATOM 1202 N GLU A 77 4.675 0.594 -8.914 1.00 0.00 N ATOM 1203 CA GLU A 77 4.854 -0.805 -8.543 1.00 0.00 C ATOM 1204 C GLU A 77 4.859 -0.969 -7.027 1.00 0.00 C ATOM 1205 O GLU A 77 4.330 -1.946 -6.497 1.00 0.00 O ATOM 1206 CB GLU A 77 6.158 -1.347 -9.131 1.00 0.00 C ATOM 1207 CG GLU A 77 6.157 -2.855 -9.325 1.00 0.00 C ATOM 1208 CD GLU A 77 7.466 -3.498 -8.911 1.00 0.00 C ATOM 1209 OE1 GLU A 77 7.648 -3.748 -7.701 1.00 0.00 O ATOM 1210 OE2 GLU A 77 8.309 -3.750 -9.797 1.00 0.00 O ATOM 0 H GLU A 77 5.460 0.999 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 77 4.017 -1.373 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.342 -0.866 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.984 -1.074 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.343 -3.291 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.960 -3.083 -10.373 1.00 0.00 H new ATOM 1217 N HIS A 78 5.459 -0.006 -6.334 1.00 0.00 N ATOM 1218 CA HIS A 78 5.531 -0.044 -4.879 1.00 0.00 C ATOM 1219 C HIS A 78 4.147 0.127 -4.262 1.00 0.00 C ATOM 1220 O HIS A 78 3.786 -0.575 -3.316 1.00 0.00 O ATOM 1221 CB HIS A 78 6.470 1.048 -4.364 1.00 0.00 C ATOM 1222 CG HIS A 78 7.226 0.657 -3.133 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.474 1.155 -2.825 1.00 0.00 N ATOM 1224 CD2 HIS A 78 6.903 -0.191 -2.127 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.887 0.631 -1.685 1.00 0.00 C ATOM 1226 NE2 HIS A 78 7.952 -0.189 -1.241 1.00 0.00 N ATOM 0 H HIS A 78 5.902 0.810 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 78 5.923 -1.018 -4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.180 1.305 -5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.889 1.946 -4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.991 -0.762 -2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.829 0.838 -1.199 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.001 -0.733 -0.379 1.00 0.00 H new ATOM 1235 N LEU A 79 3.374 1.062 -4.804 1.00 0.00 N ATOM 1236 CA LEU A 79 2.029 1.325 -4.308 1.00 0.00 C ATOM 1237 C LEU A 79 1.136 0.101 -4.487 1.00 0.00 C ATOM 1238 O LEU A 79 0.423 -0.300 -3.567 1.00 0.00 O ATOM 1239 CB LEU A 79 1.419 2.525 -5.035 1.00 0.00 C ATOM 1240 CG LEU A 79 1.725 3.886 -4.407 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.526 4.999 -5.424 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.850 4.116 -3.184 1.00 0.00 C ATOM 0 H LEU A 79 3.657 1.651 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 79 2.099 1.551 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.778 2.528 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.338 2.395 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 79 2.768 3.894 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.748 5.960 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.194 4.842 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.493 4.994 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.081 5.089 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.199 4.089 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.041 3.335 -2.448 1.00 0.00 H new ATOM 1254 N ALA A 80 1.181 -0.488 -5.677 1.00 0.00 N ATOM 1255 CA ALA A 80 0.378 -1.666 -5.979 1.00 0.00 C ATOM 1256 C ALA A 80 0.741 -2.829 -5.061 1.00 0.00 C ATOM 1257 O ALA A 80 -0.134 -3.553 -4.585 1.00 0.00 O ATOM 1258 CB ALA A 80 0.557 -2.067 -7.436 1.00 0.00 C ATOM 0 H ALA A 80 1.766 -0.168 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.669 -1.415 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.048 -2.948 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.242 -1.247 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.606 -2.294 -7.625 1.00 0.00 H new ATOM 1264 N ALA A 81 2.035 -3.001 -4.816 1.00 0.00 N ATOM 1265 CA ALA A 81 2.513 -4.075 -3.954 1.00 0.00 C ATOM 1266 C ALA A 81 2.099 -3.841 -2.506 1.00 0.00 C ATOM 1267 O ALA A 81 1.861 -4.788 -1.756 1.00 0.00 O ATOM 1268 CB ALA A 81 4.025 -4.203 -4.058 1.00 0.00 C ATOM 0 H ALA A 81 2.772 -2.410 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 81 2.057 -5.006 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.367 -5.009 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.301 -4.425 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.491 -3.267 -3.751 1.00 0.00 H new ATOM 1274 N GLN A 82 2.014 -2.572 -2.118 1.00 0.00 N ATOM 1275 CA GLN A 82 1.628 -2.213 -0.759 1.00 0.00 C ATOM 1276 C GLN A 82 0.195 -2.647 -0.468 1.00 0.00 C ATOM 1277 O GLN A 82 -0.063 -3.366 0.497 1.00 0.00 O ATOM 1278 CB GLN A 82 1.771 -0.704 -0.548 1.00 0.00 C ATOM 1279 CG GLN A 82 3.114 -0.297 0.037 1.00 0.00 C ATOM 1280 CD GLN A 82 2.999 0.229 1.456 1.00 0.00 C ATOM 1281 OE1 GLN A 82 3.600 -0.315 2.382 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.223 1.292 1.632 1.00 0.00 N ATOM 0 H GLN A 82 2.207 -1.776 -2.726 1.00 0.00 H new ATOM 0 HA GLN A 82 2.292 -2.733 -0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.631 -0.197 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.976 -0.361 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.786 -1.155 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.564 0.469 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.743 1.711 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.107 1.690 2.564 1.00 0.00 H new ATOM 1291 N LEU A 83 -0.734 -2.205 -1.309 1.00 0.00 N ATOM 1292 CA LEU A 83 -2.142 -2.547 -1.143 1.00 0.00 C ATOM 1293 C LEU A 83 -2.342 -4.060 -1.172 1.00 0.00 C ATOM 1294 O LEU A 83 -3.077 -4.615 -0.356 1.00 0.00 O ATOM 1295 CB LEU A 83 -2.982 -1.886 -2.239 1.00 0.00 C ATOM 1296 CG LEU A 83 -4.297 -1.267 -1.762 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -4.934 -0.446 -2.872 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -5.251 -2.350 -1.281 1.00 0.00 C ATOM 0 H LEU A 83 -0.537 -1.609 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.469 -2.175 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.384 -1.109 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.205 -2.630 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.082 -0.602 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.868 -0.013 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.255 0.353 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.136 -1.088 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.181 -1.892 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.460 -3.040 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.796 -2.895 -0.454 1.00 0.00 H new ATOM 1310 N GLU A 84 -1.681 -4.721 -2.117 1.00 0.00 N ATOM 1311 CA GLU A 84 -1.785 -6.169 -2.252 1.00 0.00 C ATOM 1312 C GLU A 84 -1.186 -6.873 -1.039 1.00 0.00 C ATOM 1313 O GLU A 84 -1.622 -7.962 -0.663 1.00 0.00 O ATOM 1314 CB GLU A 84 -1.079 -6.635 -3.527 1.00 0.00 C ATOM 1315 CG GLU A 84 -1.635 -6.006 -4.794 1.00 0.00 C ATOM 1316 CD GLU A 84 -2.328 -7.013 -5.692 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -1.816 -8.145 -5.819 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -3.383 -6.669 -6.266 1.00 0.00 O ATOM 0 H GLU A 84 -1.068 -4.277 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.842 -6.428 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.017 -6.401 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.162 -7.719 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.340 -5.219 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.823 -5.532 -5.346 1.00 0.00 H new ATOM 1325 N ALA A 85 -0.185 -6.246 -0.430 1.00 0.00 N ATOM 1326 CA ALA A 85 0.473 -6.813 0.740 1.00 0.00 C ATOM 1327 C ALA A 85 -0.472 -6.848 1.937 1.00 0.00 C ATOM 1328 O ALA A 85 -0.531 -7.839 2.665 1.00 0.00 O ATOM 1329 CB ALA A 85 1.729 -6.020 1.075 1.00 0.00 C ATOM 0 H ALA A 85 0.188 -5.345 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 85 0.758 -7.839 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.211 -6.454 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.416 -6.053 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.460 -4.985 1.285 1.00 0.00 H new ATOM 1335 N ILE A 86 -1.209 -5.760 2.134 1.00 0.00 N ATOM 1336 CA ILE A 86 -2.152 -5.668 3.243 1.00 0.00 C ATOM 1337 C ILE A 86 -3.289 -6.671 3.078 1.00 0.00 C ATOM 1338 O ILE A 86 -3.652 -7.373 4.022 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.745 -4.249 3.363 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.627 -3.205 3.400 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.617 -4.140 4.606 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.712 -3.341 4.598 1.00 0.00 C ATOM 0 H ILE A 86 -1.172 -4.931 1.541 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.596 -5.897 4.152 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.367 -4.059 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.034 -3.287 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.071 -2.209 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.027 -3.133 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.432 -4.860 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.016 -4.349 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.056 -2.569 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.292 -3.229 5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.240 -4.323 4.586 1.00 0.00 H new ATOM 1354 N ALA A 87 -3.846 -6.734 1.873 1.00 0.00 N ATOM 1355 CA ALA A 87 -4.941 -7.652 1.585 1.00 0.00 C ATOM 1356 C ALA A 87 -4.477 -9.102 1.670 1.00 0.00 C ATOM 1357 O ALA A 87 -5.222 -9.978 2.111 1.00 0.00 O ATOM 1358 CB ALA A 87 -5.525 -7.362 0.211 1.00 0.00 C ATOM 0 H ALA A 87 -3.557 -6.160 1.081 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.717 -7.501 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.342 -8.055 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.902 -6.340 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.751 -7.483 -0.546 1.00 0.00 H new ATOM 1364 N ARG A 88 -3.242 -9.349 1.245 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.678 -10.693 1.272 1.00 0.00 C ATOM 1366 C ARG A 88 -2.395 -11.136 2.704 1.00 0.00 C ATOM 1367 O ARG A 88 -2.722 -12.257 3.094 1.00 0.00 O ATOM 1368 CB ARG A 88 -1.392 -10.746 0.446 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.810 -12.144 0.314 1.00 0.00 C ATOM 1370 CD ARG A 88 0.290 -12.193 -0.734 1.00 0.00 C ATOM 1371 NE ARG A 88 0.947 -13.497 -0.777 1.00 0.00 N ATOM 1372 CZ ARG A 88 1.681 -13.924 -1.802 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.854 -13.154 -2.870 1.00 0.00 N ATOM 1374 NH2 ARG A 88 2.243 -15.124 -1.760 1.00 0.00 N ATOM 0 H ARG A 88 -2.613 -8.635 0.878 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.409 -11.375 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.593 -10.350 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.649 -10.094 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.412 -12.466 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.601 -12.845 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.132 -11.967 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.029 -11.421 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 88 0.837 -14.117 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.423 -12.230 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.418 -13.486 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.113 -15.720 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.806 -15.451 -2.545 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.785 -10.248 3.483 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.458 -10.547 4.872 1.00 0.00 C ATOM 1390 C GLU A 89 -2.722 -10.798 5.688 1.00 0.00 C ATOM 1391 O GLU A 89 -2.813 -11.781 6.424 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.659 -9.397 5.488 1.00 0.00 C ATOM 1393 CG GLU A 89 0.793 -9.358 5.042 1.00 0.00 C ATOM 1394 CD GLU A 89 1.722 -8.839 6.122 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.462 -7.736 6.649 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.709 -9.534 6.441 1.00 0.00 O ATOM 0 H GLU A 89 -1.507 -9.316 3.176 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.851 -11.452 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.136 -8.453 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.695 -9.482 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.106 -10.360 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.881 -8.726 4.158 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.695 -9.903 5.553 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.954 -10.027 6.277 1.00 0.00 C ATOM 1405 C ALA A 90 -5.659 -11.335 5.934 1.00 0.00 C ATOM 1406 O ALA A 90 -6.198 -12.010 6.812 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.858 -8.842 5.971 1.00 0.00 C ATOM 0 H ALA A 90 -3.635 -9.084 4.948 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.731 -10.034 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.795 -8.948 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.363 -7.919 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.065 -8.809 4.901 1.00 0.00 H new