USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot -75:sc= 0.497 USER MOD Single : A 27 THR OG1 : rot 36:sc= 0.237 USER MOD Single : A 28 SER OG : rot 20:sc=-0.000452 USER MOD Single : A 29 THR OG1 : rot 98:sc= 0.963 USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 35 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.59 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.312 USER MOD Single : A 62 ASN : amide:sc= -17! C(o=-17!,f=-29!) USER MOD Single : A 65 ASN : amide:sc= -4.27! C(o=-4.3!,f=-6.3!) USER MOD Single : A 68 THR OG1 : rot -170:sc= -0.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00619 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 80 HIS : no HE2:sc= -15.9! C(o=-16!,f=-19!) USER MOD Single : A 82 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.029) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 1.694 12.785 2.084 1.00 0.00 N ATOM 201 CA ARG A 14 0.930 11.760 1.393 1.00 0.00 C ATOM 202 C ARG A 14 1.469 10.371 1.741 1.00 0.00 C ATOM 203 O ARG A 14 0.702 9.420 1.878 1.00 0.00 O ATOM 204 CB ARG A 14 0.989 11.958 -0.123 1.00 0.00 C ATOM 205 CG ARG A 14 -0.410 11.896 -0.738 1.00 0.00 C ATOM 206 CD ARG A 14 -0.340 11.955 -2.266 1.00 0.00 C ATOM 207 NE ARG A 14 -1.703 11.874 -2.838 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.975 11.953 -4.158 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.979 12.117 -5.055 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.229 11.868 -4.559 1.00 0.00 N ATOM 0 HA ARG A 14 -0.107 11.843 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.448 12.920 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.621 11.190 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.907 10.977 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.012 12.725 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.141 12.881 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.271 11.134 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.485 11.751 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.012 12.182 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.194 12.176 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.976 11.745 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.452 11.926 -5.553 1.00 0.00 H new ATOM 223 N ALA A 15 2.786 10.299 1.875 1.00 0.00 N ATOM 224 CA ALA A 15 3.437 9.043 2.204 1.00 0.00 C ATOM 225 C ALA A 15 2.922 8.546 3.556 1.00 0.00 C ATOM 226 O ALA A 15 2.259 7.512 3.631 1.00 0.00 O ATOM 227 CB ALA A 15 4.954 9.236 2.193 1.00 0.00 C ATOM 0 H ALA A 15 3.419 11.091 1.762 1.00 0.00 H new ATOM 0 HA ALA A 15 3.200 8.282 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.442 8.293 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.272 9.561 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.230 9.991 2.929 1.00 0.00 H new ATOM 233 N GLU A 16 3.246 9.305 4.593 1.00 0.00 N ATOM 234 CA GLU A 16 2.825 8.955 5.938 1.00 0.00 C ATOM 235 C GLU A 16 1.403 8.391 5.919 1.00 0.00 C ATOM 236 O GLU A 16 1.162 7.288 6.408 1.00 0.00 O ATOM 237 CB GLU A 16 2.924 10.160 6.875 1.00 0.00 C ATOM 238 CG GLU A 16 4.251 10.154 7.637 1.00 0.00 C ATOM 239 CD GLU A 16 4.170 9.257 8.874 1.00 0.00 C ATOM 240 OE1 GLU A 16 3.175 9.308 9.612 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.187 8.486 9.056 1.00 0.00 O ATOM 0 H GLU A 16 3.796 10.162 4.528 1.00 0.00 H new ATOM 0 HA GLU A 16 3.496 8.185 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.835 11.081 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.094 10.145 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.049 9.804 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.507 11.170 7.937 1.00 0.00 H new ATOM 249 N ARG A 17 0.498 9.173 5.349 1.00 0.00 N ATOM 250 CA ARG A 17 -0.894 8.765 5.260 1.00 0.00 C ATOM 251 C ARG A 17 -1.006 7.406 4.567 1.00 0.00 C ATOM 252 O ARG A 17 -1.592 6.473 5.113 1.00 0.00 O ATOM 253 CB ARG A 17 -1.721 9.794 4.486 1.00 0.00 C ATOM 254 CG ARG A 17 -3.172 9.332 4.338 1.00 0.00 C ATOM 255 CD ARG A 17 -3.495 8.997 2.880 1.00 0.00 C ATOM 256 NE ARG A 17 -3.533 10.237 2.073 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.534 11.142 2.122 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.589 10.952 2.943 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.465 12.215 1.356 1.00 0.00 N ATOM 0 H ARG A 17 0.701 10.087 4.944 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.283 8.692 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.692 10.753 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.283 9.951 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.344 8.456 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.844 10.113 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.744 8.316 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.455 8.484 2.820 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.754 10.419 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.634 10.120 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.341 11.640 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.664 12.351 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.213 12.908 1.381 1.00 0.00 H new ATOM 272 N THR A 18 -0.434 7.337 3.373 1.00 0.00 N ATOM 273 CA THR A 18 -0.462 6.108 2.600 1.00 0.00 C ATOM 274 C THR A 18 0.147 4.957 3.404 1.00 0.00 C ATOM 275 O THR A 18 -0.390 3.850 3.415 1.00 0.00 O ATOM 276 CB THR A 18 0.255 6.367 1.273 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.594 7.289 0.595 1.00 0.00 O ATOM 278 CG2 THR A 18 0.269 5.136 0.365 1.00 0.00 C ATOM 0 H THR A 18 0.051 8.113 2.923 1.00 0.00 H new ATOM 0 HA THR A 18 -1.485 5.804 2.380 1.00 0.00 H new ATOM 0 HB THR A 18 1.279 6.684 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.383 6.818 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.789 5.374 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.783 4.318 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.755 4.838 0.140 1.00 0.00 H new ATOM 286 N ALA A 19 1.259 5.259 4.059 1.00 0.00 N ATOM 287 CA ALA A 19 1.946 4.264 4.864 1.00 0.00 C ATOM 288 C ALA A 19 1.175 4.048 6.168 1.00 0.00 C ATOM 289 O ALA A 19 1.423 3.082 6.887 1.00 0.00 O ATOM 290 CB ALA A 19 3.388 4.712 5.108 1.00 0.00 C ATOM 0 H ALA A 19 1.701 6.178 4.048 1.00 0.00 H new ATOM 0 HA ALA A 19 1.985 3.308 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.904 3.965 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.901 4.823 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.388 5.667 5.633 1.00 0.00 H new ATOM 296 N GLU A 20 0.254 4.963 6.432 1.00 0.00 N ATOM 297 CA GLU A 20 -0.556 4.884 7.636 1.00 0.00 C ATOM 298 C GLU A 20 -1.795 4.022 7.387 1.00 0.00 C ATOM 299 O GLU A 20 -2.180 3.222 8.238 1.00 0.00 O ATOM 300 CB GLU A 20 -0.948 6.280 8.125 1.00 0.00 C ATOM 301 CG GLU A 20 -1.988 6.197 9.244 1.00 0.00 C ATOM 302 CD GLU A 20 -1.768 7.302 10.279 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.222 8.364 9.946 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.189 7.027 11.467 1.00 0.00 O ATOM 0 H GLU A 20 0.051 5.763 5.833 1.00 0.00 H new ATOM 0 HA GLU A 20 0.038 4.414 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.063 6.805 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.348 6.861 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.989 6.283 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.929 5.223 9.729 1.00 0.00 H new ATOM 312 N LEU A 21 -2.386 4.215 6.217 1.00 0.00 N ATOM 313 CA LEU A 21 -3.573 3.465 5.846 1.00 0.00 C ATOM 314 C LEU A 21 -3.198 1.997 5.631 1.00 0.00 C ATOM 315 O LEU A 21 -3.954 1.099 5.998 1.00 0.00 O ATOM 316 CB LEU A 21 -4.257 4.108 4.638 1.00 0.00 C ATOM 317 CG LEU A 21 -5.627 4.739 4.899 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.534 6.266 4.908 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.664 4.233 3.895 1.00 0.00 C ATOM 0 H LEU A 21 -2.065 4.880 5.514 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.307 3.492 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.596 4.876 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.370 3.350 3.863 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.962 4.431 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.521 6.690 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.848 6.584 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.167 6.614 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.628 4.697 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.348 4.491 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.756 3.150 3.981 1.00 0.00 H new ATOM 331 N VAL A 22 -2.031 1.799 5.036 1.00 0.00 N ATOM 332 CA VAL A 22 -1.546 0.456 4.768 1.00 0.00 C ATOM 333 C VAL A 22 -1.540 -0.349 6.069 1.00 0.00 C ATOM 334 O VAL A 22 -2.241 -1.353 6.186 1.00 0.00 O ATOM 335 CB VAL A 22 -0.172 0.520 4.097 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.619 -0.766 4.346 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.306 0.801 2.600 1.00 0.00 C ATOM 0 H VAL A 22 -1.407 2.546 4.732 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.209 -0.058 4.072 1.00 0.00 H new ATOM 0 HB VAL A 22 0.382 1.346 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.591 -0.695 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.759 -0.905 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.070 -1.615 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.685 0.841 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.887 0.007 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.811 1.755 2.453 1.00 0.00 H new ATOM 347 N ARG A 23 -0.740 0.123 7.015 1.00 0.00 N ATOM 348 CA ARG A 23 -0.633 -0.541 8.303 1.00 0.00 C ATOM 349 C ARG A 23 -2.025 -0.853 8.856 1.00 0.00 C ATOM 350 O ARG A 23 -2.253 -1.933 9.400 1.00 0.00 O ATOM 351 CB ARG A 23 0.124 0.329 9.309 1.00 0.00 C ATOM 352 CG ARG A 23 1.540 -0.205 9.538 1.00 0.00 C ATOM 353 CD ARG A 23 2.483 0.916 9.981 1.00 0.00 C ATOM 354 NE ARG A 23 2.732 0.821 11.437 1.00 0.00 N ATOM 355 CZ ARG A 23 3.433 -0.174 12.021 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.960 -1.170 11.278 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.595 -0.159 13.331 1.00 0.00 N ATOM 0 H ARG A 23 -0.161 0.956 6.915 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.081 -1.469 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.173 1.355 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.417 0.353 10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.519 -0.988 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.914 -0.659 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.425 0.846 9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.047 1.886 9.741 1.00 0.00 H new ATOM 0 HE ARG A 23 2.350 1.553 12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.830 -1.175 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.488 -1.918 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.193 0.597 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.122 -0.903 13.788 1.00 0.00 H new ATOM 370 N LEU A 24 -2.920 0.111 8.698 1.00 0.00 N ATOM 371 CA LEU A 24 -4.284 -0.048 9.175 1.00 0.00 C ATOM 372 C LEU A 24 -4.985 -1.128 8.349 1.00 0.00 C ATOM 373 O LEU A 24 -5.550 -2.070 8.904 1.00 0.00 O ATOM 374 CB LEU A 24 -5.012 1.297 9.173 1.00 0.00 C ATOM 375 CG LEU A 24 -6.537 1.234 9.064 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.138 0.445 10.229 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.137 2.637 8.953 1.00 0.00 C ATOM 0 H LEU A 24 -2.728 1.005 8.246 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.289 -0.385 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.755 1.828 10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.632 1.892 8.342 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.792 0.701 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.223 0.416 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.745 -0.572 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.875 0.928 11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.222 2.564 8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.874 3.216 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.744 3.132 8.065 1.00 0.00 H new ATOM 389 N VAL A 25 -4.927 -0.956 7.037 1.00 0.00 N ATOM 390 CA VAL A 25 -5.550 -1.905 6.129 1.00 0.00 C ATOM 391 C VAL A 25 -5.178 -3.328 6.551 1.00 0.00 C ATOM 392 O VAL A 25 -6.003 -4.237 6.478 1.00 0.00 O ATOM 393 CB VAL A 25 -5.153 -1.586 4.686 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.477 -2.758 3.757 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.827 -0.301 4.203 1.00 0.00 C ATOM 0 H VAL A 25 -4.458 -0.174 6.580 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.636 -1.825 6.179 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.075 -1.427 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.185 -2.506 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.930 -3.643 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.547 -2.962 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.528 -0.098 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.910 -0.418 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.525 0.530 4.840 1.00 0.00 H new ATOM 405 N ARG A 26 -3.935 -3.476 6.985 1.00 0.00 N ATOM 406 CA ARG A 26 -3.443 -4.773 7.419 1.00 0.00 C ATOM 407 C ARG A 26 -4.220 -5.251 8.648 1.00 0.00 C ATOM 408 O ARG A 26 -5.026 -6.175 8.556 1.00 0.00 O ATOM 409 CB ARG A 26 -1.953 -4.712 7.757 1.00 0.00 C ATOM 410 CG ARG A 26 -1.109 -5.312 6.630 1.00 0.00 C ATOM 411 CD ARG A 26 0.216 -4.563 6.480 1.00 0.00 C ATOM 412 NE ARG A 26 1.337 -5.527 6.409 1.00 0.00 N ATOM 413 CZ ARG A 26 1.915 -6.096 7.488 1.00 0.00 C ATOM 414 NH1 ARG A 26 1.482 -5.802 8.732 1.00 0.00 N ATOM 415 NH2 ARG A 26 2.910 -6.944 7.307 1.00 0.00 N ATOM 0 H ARG A 26 -3.254 -2.719 7.046 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.588 -5.475 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.657 -3.677 7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.765 -5.253 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.915 -6.364 6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.664 -5.269 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.196 -3.949 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.359 -3.888 7.324 1.00 0.00 H new ATOM 0 HE ARG A 26 1.695 -5.777 5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.712 -5.145 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.924 -6.236 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.231 -7.160 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.358 -7.383 8.111 1.00 0.00 H new ATOM 428 N THR A 27 -3.949 -4.599 9.769 1.00 0.00 N ATOM 429 CA THR A 27 -4.611 -4.946 11.015 1.00 0.00 C ATOM 430 C THR A 27 -6.107 -5.167 10.779 1.00 0.00 C ATOM 431 O THR A 27 -6.688 -6.117 11.303 1.00 0.00 O ATOM 432 CB THR A 27 -4.313 -3.842 12.032 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.306 -2.647 11.255 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.892 -3.931 12.592 1.00 0.00 C ATOM 0 H THR A 27 -3.280 -3.832 9.840 1.00 0.00 H new ATOM 0 HA THR A 27 -4.234 -5.887 11.415 1.00 0.00 H new ATOM 0 HB THR A 27 -5.030 -3.899 12.851 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.980 -2.713 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.732 -3.125 13.309 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.756 -4.891 13.090 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.174 -3.840 11.777 1.00 0.00 H new ATOM 442 N SER A 28 -6.688 -4.275 9.991 1.00 0.00 N ATOM 443 CA SER A 28 -8.104 -4.360 9.680 1.00 0.00 C ATOM 444 C SER A 28 -8.410 -5.694 8.995 1.00 0.00 C ATOM 445 O SER A 28 -9.351 -6.389 9.374 1.00 0.00 O ATOM 446 CB SER A 28 -8.545 -3.195 8.792 1.00 0.00 C ATOM 447 OG SER A 28 -8.854 -2.031 9.554 1.00 0.00 O ATOM 0 H SER A 28 -6.203 -3.489 9.558 1.00 0.00 H new ATOM 0 HA SER A 28 -8.663 -4.301 10.614 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.754 -2.962 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.419 -3.492 8.212 1.00 0.00 H new ATOM 0 HG SER A 28 -8.432 -2.096 10.436 1.00 0.00 H new ATOM 453 N THR A 29 -7.596 -6.011 7.998 1.00 0.00 N ATOM 454 CA THR A 29 -7.768 -7.249 7.257 1.00 0.00 C ATOM 455 C THR A 29 -7.767 -8.445 8.210 1.00 0.00 C ATOM 456 O THR A 29 -8.740 -9.196 8.270 1.00 0.00 O ATOM 457 CB THR A 29 -6.671 -7.319 6.193 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.913 -6.182 5.369 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.847 -8.509 5.248 1.00 0.00 C ATOM 0 H THR A 29 -6.816 -5.432 7.686 1.00 0.00 H new ATOM 0 HA THR A 29 -8.733 -7.277 6.752 1.00 0.00 H new ATOM 0 HB THR A 29 -5.698 -7.383 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.322 -5.449 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.042 -8.512 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.818 -9.436 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.806 -8.428 4.736 1.00 0.00 H new ATOM 467 N ALA A 30 -6.665 -8.586 8.931 1.00 0.00 N ATOM 468 CA ALA A 30 -6.525 -9.679 9.879 1.00 0.00 C ATOM 469 C ALA A 30 -7.617 -9.568 10.944 1.00 0.00 C ATOM 470 O ALA A 30 -8.139 -10.579 11.411 1.00 0.00 O ATOM 471 CB ALA A 30 -5.118 -9.656 10.481 1.00 0.00 C ATOM 0 H ALA A 30 -5.860 -7.962 8.878 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.650 -10.639 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.013 -10.476 11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.380 -9.768 9.686 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.957 -8.708 10.994 1.00 0.00 H new ATOM 477 N THR A 31 -7.931 -8.330 11.298 1.00 0.00 N ATOM 478 CA THR A 31 -8.952 -8.074 12.299 1.00 0.00 C ATOM 479 C THR A 31 -10.268 -8.744 11.902 1.00 0.00 C ATOM 480 O THR A 31 -10.981 -9.274 12.754 1.00 0.00 O ATOM 481 CB THR A 31 -9.071 -6.559 12.476 1.00 0.00 C ATOM 482 OG1 THR A 31 -8.049 -6.238 13.416 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.366 -6.151 13.181 1.00 0.00 C ATOM 0 H THR A 31 -7.496 -7.493 10.909 1.00 0.00 H new ATOM 0 HA THR A 31 -8.680 -8.508 13.261 1.00 0.00 H new ATOM 0 HB THR A 31 -9.021 -6.075 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.176 -6.261 12.971 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.400 -5.066 13.281 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.221 -6.488 12.595 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.401 -6.608 14.170 1.00 0.00 H new ATOM 491 N VAL A 32 -10.552 -8.700 10.609 1.00 0.00 N ATOM 492 CA VAL A 32 -11.770 -9.296 10.089 1.00 0.00 C ATOM 493 C VAL A 32 -11.766 -10.797 10.388 1.00 0.00 C ATOM 494 O VAL A 32 -12.825 -11.411 10.514 1.00 0.00 O ATOM 495 CB VAL A 32 -11.910 -8.984 8.597 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.852 -9.979 7.915 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.382 -7.545 8.380 1.00 0.00 C ATOM 0 H VAL A 32 -9.959 -8.260 9.905 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.644 -8.869 10.580 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.926 -9.086 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.934 -9.735 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.456 -10.989 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.837 -9.923 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.473 -7.349 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.351 -7.404 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.659 -6.855 8.815 1.00 0.00 H new ATOM 507 N LEU A 33 -10.564 -11.344 10.493 1.00 0.00 N ATOM 508 CA LEU A 33 -10.409 -12.761 10.774 1.00 0.00 C ATOM 509 C LEU A 33 -10.449 -12.982 12.288 1.00 0.00 C ATOM 510 O LEU A 33 -10.559 -14.117 12.750 1.00 0.00 O ATOM 511 CB LEU A 33 -9.144 -13.304 10.107 1.00 0.00 C ATOM 512 CG LEU A 33 -8.941 -12.919 8.640 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.456 -12.914 8.275 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.755 -13.828 7.717 1.00 0.00 C ATOM 0 H LEU A 33 -9.688 -10.831 10.389 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.236 -13.328 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.281 -12.959 10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.158 -14.392 10.178 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.310 -11.903 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.340 -12.637 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.930 -12.193 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.038 -13.908 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.593 -13.533 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.439 -14.862 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.814 -13.737 7.959 1.00 0.00 H new ATOM 526 N GLY A 34 -10.358 -11.881 13.018 1.00 0.00 N ATOM 527 CA GLY A 34 -10.383 -11.941 14.469 1.00 0.00 C ATOM 528 C GLY A 34 -9.102 -12.575 15.014 1.00 0.00 C ATOM 529 O GLY A 34 -9.094 -13.116 16.118 1.00 0.00 O ATOM 0 H GLY A 34 -10.267 -10.941 12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.497 -10.936 14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.247 -12.518 14.798 1.00 0.00 H new ATOM 533 N HIS A 35 -8.050 -12.487 14.214 1.00 0.00 N ATOM 534 CA HIS A 35 -6.765 -13.045 14.602 1.00 0.00 C ATOM 535 C HIS A 35 -5.998 -12.028 15.448 1.00 0.00 C ATOM 536 O HIS A 35 -5.006 -12.371 16.089 1.00 0.00 O ATOM 537 CB HIS A 35 -5.980 -13.506 13.372 1.00 0.00 C ATOM 538 CG HIS A 35 -6.024 -14.998 13.139 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.015 -15.559 11.874 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.077 -16.037 14.021 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.062 -16.877 12.001 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.101 -17.171 13.332 1.00 0.00 N ATOM 0 H HIS A 35 -8.061 -12.038 13.298 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.920 -13.932 15.216 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.374 -12.999 12.491 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.941 -13.196 13.480 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.096 -15.951 15.097 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.068 -17.593 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.142 -18.108 13.732 1.00 0.00 H new ATOM 550 N ASP A 36 -6.486 -10.796 15.423 1.00 0.00 N ATOM 551 CA ASP A 36 -5.859 -9.727 16.180 1.00 0.00 C ATOM 552 C ASP A 36 -4.340 -9.903 16.140 1.00 0.00 C ATOM 553 O ASP A 36 -3.713 -10.160 17.167 1.00 0.00 O ATOM 554 CB ASP A 36 -6.300 -9.757 17.645 1.00 0.00 C ATOM 555 CG ASP A 36 -7.715 -9.239 17.906 1.00 0.00 C ATOM 556 OD1 ASP A 36 -7.929 -8.031 18.092 1.00 0.00 O ATOM 557 OD2 ASP A 36 -8.635 -10.143 17.913 1.00 0.00 O ATOM 0 H ASP A 36 -7.309 -10.515 14.890 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.157 -8.778 15.733 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.232 -10.783 18.008 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.598 -9.164 18.232 1.00 0.00 H new ATOM 563 N ASP A 37 -3.791 -9.757 14.943 1.00 0.00 N ATOM 564 CA ASP A 37 -2.357 -9.896 14.755 1.00 0.00 C ATOM 565 C ASP A 37 -2.011 -9.634 13.288 1.00 0.00 C ATOM 566 O ASP A 37 -2.496 -10.330 12.398 1.00 0.00 O ATOM 567 CB ASP A 37 -1.890 -11.310 15.105 1.00 0.00 C ATOM 568 CG ASP A 37 -1.228 -11.452 16.477 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.607 -12.315 17.283 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.272 -10.618 16.709 1.00 0.00 O ATOM 0 H ASP A 37 -4.314 -9.544 14.093 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.861 -9.180 15.410 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.748 -11.981 15.061 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.186 -11.643 14.342 1.00 0.00 H new ATOM 576 N PRO A 38 -1.153 -8.601 13.075 1.00 0.00 N ATOM 577 CA PRO A 38 -0.736 -8.238 11.731 1.00 0.00 C ATOM 578 C PRO A 38 0.281 -9.241 11.183 1.00 0.00 C ATOM 579 O PRO A 38 0.488 -9.321 9.973 1.00 0.00 O ATOM 580 CB PRO A 38 -0.174 -6.831 11.860 1.00 0.00 C ATOM 581 CG PRO A 38 0.132 -6.638 13.337 1.00 0.00 C ATOM 582 CD PRO A 38 -0.558 -7.754 14.105 1.00 0.00 C ATOM 0 HA PRO A 38 -1.558 -8.260 11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.726 -6.713 11.256 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.892 -6.090 11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.208 -6.663 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.223 -5.665 13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.152 -8.312 14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.317 -7.359 14.780 1.00 0.00 H new ATOM 590 N LYS A 39 0.888 -9.980 12.099 1.00 0.00 N ATOM 591 CA LYS A 39 1.878 -10.974 11.722 1.00 0.00 C ATOM 592 C LYS A 39 1.211 -12.055 10.869 1.00 0.00 C ATOM 593 O LYS A 39 1.891 -12.823 10.190 1.00 0.00 O ATOM 594 CB LYS A 39 2.587 -11.521 12.963 1.00 0.00 C ATOM 595 CG LYS A 39 4.028 -11.012 13.041 1.00 0.00 C ATOM 596 CD LYS A 39 4.932 -12.028 13.741 1.00 0.00 C ATOM 597 CE LYS A 39 6.408 -11.701 13.509 1.00 0.00 C ATOM 598 NZ LYS A 39 7.138 -11.656 14.795 1.00 0.00 N ATOM 0 H LYS A 39 0.713 -9.910 13.102 1.00 0.00 H new ATOM 0 HA LYS A 39 2.658 -10.521 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.043 -11.221 13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.583 -12.611 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.403 -10.818 12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.054 -10.065 13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.721 -12.032 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.715 -13.030 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.855 -12.452 12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.498 -10.742 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.138 -11.433 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.722 -10.923 15.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.067 -12.580 15.267 1.00 0.00 H new ATOM 611 N ALA A 40 -0.113 -12.079 10.931 1.00 0.00 N ATOM 612 CA ALA A 40 -0.880 -13.052 10.172 1.00 0.00 C ATOM 613 C ALA A 40 -1.424 -12.390 8.905 1.00 0.00 C ATOM 614 O ALA A 40 -2.459 -12.800 8.382 1.00 0.00 O ATOM 615 CB ALA A 40 -1.991 -13.626 11.053 1.00 0.00 C ATOM 0 H ALA A 40 -0.673 -11.440 11.495 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.246 -13.884 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.566 -14.356 10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.551 -14.111 11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.649 -12.821 11.380 1.00 0.00 H new ATOM 621 N VAL A 41 -0.702 -11.377 8.447 1.00 0.00 N ATOM 622 CA VAL A 41 -1.100 -10.655 7.251 1.00 0.00 C ATOM 623 C VAL A 41 0.052 -9.756 6.797 1.00 0.00 C ATOM 624 O VAL A 41 0.927 -9.413 7.591 1.00 0.00 O ATOM 625 CB VAL A 41 -2.394 -9.881 7.513 1.00 0.00 C ATOM 626 CG1 VAL A 41 -2.152 -8.719 8.478 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.013 -9.388 6.204 1.00 0.00 C ATOM 0 H VAL A 41 0.156 -11.040 8.883 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.311 -11.350 6.438 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.103 -10.563 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.087 -8.186 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.778 -9.105 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.418 -8.037 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.931 -8.841 6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.310 -8.730 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.240 -10.241 5.565 1.00 0.00 H new ATOM 637 N ARG A 42 0.014 -9.400 5.521 1.00 0.00 N ATOM 638 CA ARG A 42 1.044 -8.548 4.952 1.00 0.00 C ATOM 639 C ARG A 42 0.417 -7.508 4.021 1.00 0.00 C ATOM 640 O ARG A 42 -0.788 -7.533 3.778 1.00 0.00 O ATOM 641 CB ARG A 42 2.069 -9.371 4.168 1.00 0.00 C ATOM 642 CG ARG A 42 3.493 -8.891 4.456 1.00 0.00 C ATOM 643 CD ARG A 42 4.524 -9.909 3.965 1.00 0.00 C ATOM 644 NE ARG A 42 4.289 -10.219 2.537 1.00 0.00 N ATOM 645 CZ ARG A 42 5.078 -11.029 1.799 1.00 0.00 C ATOM 646 NH1 ARG A 42 6.161 -11.618 2.349 1.00 0.00 N ATOM 647 NH2 ARG A 42 4.774 -11.236 0.532 1.00 0.00 N ATOM 0 H ARG A 42 -0.714 -9.686 4.866 1.00 0.00 H new ATOM 0 HA ARG A 42 1.551 -8.046 5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.975 -10.424 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.864 -9.293 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.663 -7.931 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.617 -8.730 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.531 -9.513 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.459 -10.821 4.559 1.00 0.00 H new ATOM 0 HE ARG A 42 3.481 -9.794 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.389 -11.453 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.752 -12.228 1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.954 -10.787 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.359 -11.845 -0.040 1.00 0.00 H new ATOM 660 N ALA A 43 1.264 -6.617 3.526 1.00 0.00 N ATOM 661 CA ALA A 43 0.809 -5.570 2.627 1.00 0.00 C ATOM 662 C ALA A 43 0.688 -6.136 1.211 1.00 0.00 C ATOM 663 O ALA A 43 -0.138 -5.677 0.423 1.00 0.00 O ATOM 664 CB ALA A 43 1.769 -4.381 2.700 1.00 0.00 C ATOM 0 H ALA A 43 2.263 -6.599 3.731 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.177 -5.211 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.428 -3.596 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.796 -3.997 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.769 -4.702 2.407 1.00 0.00 H new ATOM 670 N THR A 44 1.523 -7.125 0.930 1.00 0.00 N ATOM 671 CA THR A 44 1.521 -7.759 -0.378 1.00 0.00 C ATOM 672 C THR A 44 1.052 -9.211 -0.266 1.00 0.00 C ATOM 673 O THR A 44 1.591 -10.094 -0.932 1.00 0.00 O ATOM 674 CB THR A 44 2.922 -7.617 -0.975 1.00 0.00 C ATOM 675 OG1 THR A 44 3.794 -7.871 0.123 1.00 0.00 O ATOM 676 CG2 THR A 44 3.243 -6.176 -1.380 1.00 0.00 C ATOM 0 H THR A 44 2.206 -7.503 1.586 1.00 0.00 H new ATOM 0 HA THR A 44 0.815 -7.273 -1.052 1.00 0.00 H new ATOM 0 HB THR A 44 3.014 -8.267 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.725 -7.801 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.249 -6.131 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.524 -5.839 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.185 -5.530 -0.504 1.00 0.00 H new ATOM 684 N THR A 45 0.054 -9.413 0.582 1.00 0.00 N ATOM 685 CA THR A 45 -0.493 -10.743 0.789 1.00 0.00 C ATOM 686 C THR A 45 -1.881 -10.854 0.154 1.00 0.00 C ATOM 687 O THR A 45 -2.654 -9.898 0.172 1.00 0.00 O ATOM 688 CB THR A 45 -0.488 -11.027 2.293 1.00 0.00 C ATOM 689 OG1 THR A 45 0.842 -11.464 2.559 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.357 -12.230 2.664 1.00 0.00 C ATOM 0 H THR A 45 -0.390 -8.678 1.133 1.00 0.00 H new ATOM 0 HA THR A 45 0.116 -11.502 0.298 1.00 0.00 H new ATOM 0 HB THR A 45 -0.839 -10.146 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.836 -12.091 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.318 -12.388 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.387 -12.042 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.985 -13.118 2.153 1.00 0.00 H new ATOM 698 N PRO A 46 -2.162 -12.061 -0.406 1.00 0.00 N ATOM 699 CA PRO A 46 -3.443 -12.310 -1.045 1.00 0.00 C ATOM 700 C PRO A 46 -4.548 -12.497 -0.004 1.00 0.00 C ATOM 701 O PRO A 46 -4.329 -13.121 1.034 1.00 0.00 O ATOM 702 CB PRO A 46 -3.221 -13.544 -1.904 1.00 0.00 C ATOM 703 CG PRO A 46 -1.968 -14.211 -1.360 1.00 0.00 C ATOM 704 CD PRO A 46 -1.271 -13.217 -0.445 1.00 0.00 C ATOM 0 HA PRO A 46 -3.779 -11.471 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.077 -14.217 -1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.095 -13.273 -2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.225 -15.118 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.308 -14.507 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.120 -13.634 0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.288 -12.946 -0.830 1.00 0.00 H new ATOM 712 N PHE A 47 -5.711 -11.945 -0.316 1.00 0.00 N ATOM 713 CA PHE A 47 -6.851 -12.043 0.580 1.00 0.00 C ATOM 714 C PHE A 47 -7.342 -13.489 0.685 1.00 0.00 C ATOM 715 O PHE A 47 -7.822 -13.910 1.737 1.00 0.00 O ATOM 716 CB PHE A 47 -7.965 -11.181 -0.017 1.00 0.00 C ATOM 717 CG PHE A 47 -8.633 -11.793 -1.250 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.500 -12.831 -1.109 1.00 0.00 C ATOM 719 CD2 PHE A 47 -8.359 -11.298 -2.487 1.00 0.00 C ATOM 720 CE1 PHE A 47 -10.120 -13.399 -2.254 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.979 -11.866 -3.632 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.846 -12.904 -3.491 1.00 0.00 C ATOM 0 H PHE A 47 -5.889 -11.428 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.569 -11.709 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.724 -11.007 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.553 -10.208 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.717 -13.224 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.670 -10.474 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.809 -14.223 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.762 -11.473 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.317 -13.336 -4.362 1.00 0.00 H new ATOM 732 N LYS A 48 -7.206 -14.208 -0.419 1.00 0.00 N ATOM 733 CA LYS A 48 -7.630 -15.597 -0.464 1.00 0.00 C ATOM 734 C LYS A 48 -6.687 -16.442 0.395 1.00 0.00 C ATOM 735 O LYS A 48 -6.938 -17.625 0.620 1.00 0.00 O ATOM 736 CB LYS A 48 -7.739 -16.078 -1.912 1.00 0.00 C ATOM 737 CG LYS A 48 -8.982 -16.948 -2.110 1.00 0.00 C ATOM 738 CD LYS A 48 -9.655 -16.647 -3.450 1.00 0.00 C ATOM 739 CE LYS A 48 -9.736 -17.905 -4.317 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.612 -17.672 -5.488 1.00 0.00 N ATOM 0 H LYS A 48 -6.808 -13.855 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.629 -15.704 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.782 -15.219 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.847 -16.646 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.704 -18.001 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.687 -16.772 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.657 -16.254 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.096 -15.873 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.738 -18.188 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.121 -18.736 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.656 -18.536 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.568 -17.424 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.228 -16.892 -6.059 1.00 0.00 H new ATOM 753 N GLU A 49 -5.620 -15.802 0.851 1.00 0.00 N ATOM 754 CA GLU A 49 -4.638 -16.479 1.680 1.00 0.00 C ATOM 755 C GLU A 49 -5.026 -16.374 3.156 1.00 0.00 C ATOM 756 O GLU A 49 -4.773 -17.292 3.935 1.00 0.00 O ATOM 757 CB GLU A 49 -3.236 -15.916 1.440 1.00 0.00 C ATOM 758 CG GLU A 49 -2.345 -16.942 0.737 1.00 0.00 C ATOM 759 CD GLU A 49 -2.176 -18.200 1.592 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.092 -19.033 1.658 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.044 -18.296 2.203 1.00 0.00 O ATOM 0 H GLU A 49 -5.414 -14.821 0.662 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.623 -17.533 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.302 -15.012 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.787 -15.631 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.781 -17.208 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.369 -16.502 0.534 1.00 0.00 H new ATOM 769 N LEU A 50 -5.634 -15.247 3.496 1.00 0.00 N ATOM 770 CA LEU A 50 -6.060 -15.010 4.865 1.00 0.00 C ATOM 771 C LEU A 50 -7.496 -15.508 5.042 1.00 0.00 C ATOM 772 O LEU A 50 -7.996 -15.586 6.163 1.00 0.00 O ATOM 773 CB LEU A 50 -5.868 -13.539 5.239 1.00 0.00 C ATOM 774 CG LEU A 50 -6.500 -12.519 4.290 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.602 -11.725 4.994 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.435 -11.604 3.681 1.00 0.00 C ATOM 0 H LEU A 50 -5.842 -14.488 2.847 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.439 -15.575 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.279 -13.381 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.799 -13.336 5.299 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.968 -13.061 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.035 -11.007 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.378 -12.408 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.179 -11.194 5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.911 -10.888 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.918 -11.068 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.717 -12.204 3.122 1.00 0.00 H new ATOM 788 N GLY A 51 -8.119 -15.831 3.918 1.00 0.00 N ATOM 789 CA GLY A 51 -9.487 -16.318 3.934 1.00 0.00 C ATOM 790 C GLY A 51 -10.482 -15.165 3.782 1.00 0.00 C ATOM 791 O GLY A 51 -11.254 -14.882 4.697 1.00 0.00 O ATOM 0 H GLY A 51 -7.701 -15.765 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.631 -17.036 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.678 -16.847 4.868 1.00 0.00 H new ATOM 795 N PHE A 52 -10.431 -14.531 2.620 1.00 0.00 N ATOM 796 CA PHE A 52 -11.318 -13.415 2.337 1.00 0.00 C ATOM 797 C PHE A 52 -12.175 -13.696 1.102 1.00 0.00 C ATOM 798 O PHE A 52 -11.683 -14.229 0.108 1.00 0.00 O ATOM 799 CB PHE A 52 -10.432 -12.199 2.063 1.00 0.00 C ATOM 800 CG PHE A 52 -10.252 -11.275 3.269 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.488 -11.742 4.524 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.856 -9.987 3.086 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.320 -10.885 5.644 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.689 -9.130 4.206 1.00 0.00 C ATOM 805 CZ PHE A 52 -9.925 -9.597 5.461 1.00 0.00 C ATOM 0 H PHE A 52 -9.789 -14.769 1.863 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.988 -13.248 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.452 -12.544 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.862 -11.627 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.803 -12.765 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.669 -9.616 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.506 -11.256 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.374 -8.107 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.799 -8.945 6.312 1.00 0.00 H new ATOM 815 N ASP A 53 -13.443 -13.326 1.204 1.00 0.00 N ATOM 816 CA ASP A 53 -14.373 -13.531 0.107 1.00 0.00 C ATOM 817 C ASP A 53 -15.527 -12.534 0.229 1.00 0.00 C ATOM 818 O ASP A 53 -15.485 -11.455 -0.361 1.00 0.00 O ATOM 819 CB ASP A 53 -14.963 -14.943 0.142 1.00 0.00 C ATOM 820 CG ASP A 53 -14.055 -16.037 -0.422 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.360 -16.739 0.328 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.078 -16.157 -1.706 1.00 0.00 O ATOM 0 H ASP A 53 -13.848 -12.885 2.030 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.829 -13.390 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.209 -15.192 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.898 -14.944 -0.418 1.00 0.00 H new ATOM 828 N SER A 54 -16.530 -12.929 0.998 1.00 0.00 N ATOM 829 CA SER A 54 -17.694 -12.083 1.205 1.00 0.00 C ATOM 830 C SER A 54 -17.736 -11.598 2.656 1.00 0.00 C ATOM 831 O SER A 54 -17.352 -10.467 2.947 1.00 0.00 O ATOM 832 CB SER A 54 -18.984 -12.827 0.856 1.00 0.00 C ATOM 833 OG SER A 54 -19.008 -14.142 1.402 1.00 0.00 O ATOM 0 H SER A 54 -16.561 -13.824 1.486 1.00 0.00 H new ATOM 0 HA SER A 54 -17.614 -11.221 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.839 -12.264 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.088 -12.883 -0.228 1.00 0.00 H new ATOM 0 HG SER A 54 -19.849 -14.582 1.158 1.00 0.00 H new ATOM 839 N LEU A 55 -18.208 -12.478 3.527 1.00 0.00 N ATOM 840 CA LEU A 55 -18.306 -12.154 4.940 1.00 0.00 C ATOM 841 C LEU A 55 -17.050 -11.394 5.372 1.00 0.00 C ATOM 842 O LEU A 55 -17.141 -10.378 6.059 1.00 0.00 O ATOM 843 CB LEU A 55 -18.575 -13.416 5.762 1.00 0.00 C ATOM 844 CG LEU A 55 -20.042 -13.830 5.894 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.226 -15.311 5.558 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.587 -13.485 7.281 1.00 0.00 C ATOM 0 H LEU A 55 -18.527 -13.415 3.281 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.156 -11.496 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.024 -14.242 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.168 -13.268 6.762 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.624 -13.261 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.278 -15.579 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.902 -15.495 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.630 -15.916 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.631 -13.790 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.007 -14.009 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.512 -12.410 7.444 1.00 0.00 H new ATOM 858 N ALA A 56 -15.907 -11.916 4.952 1.00 0.00 N ATOM 859 CA ALA A 56 -14.635 -11.300 5.288 1.00 0.00 C ATOM 860 C ALA A 56 -14.493 -9.983 4.521 1.00 0.00 C ATOM 861 O ALA A 56 -14.009 -8.993 5.067 1.00 0.00 O ATOM 862 CB ALA A 56 -13.498 -12.277 4.984 1.00 0.00 C ATOM 0 H ALA A 56 -15.835 -12.759 4.382 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.590 -11.069 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.544 -11.815 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.629 -13.183 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.510 -12.530 3.924 1.00 0.00 H new ATOM 868 N ALA A 57 -14.923 -10.016 3.269 1.00 0.00 N ATOM 869 CA ALA A 57 -14.850 -8.837 2.422 1.00 0.00 C ATOM 870 C ALA A 57 -15.717 -7.729 3.021 1.00 0.00 C ATOM 871 O ALA A 57 -15.329 -6.562 3.018 1.00 0.00 O ATOM 872 CB ALA A 57 -15.274 -9.204 0.998 1.00 0.00 C ATOM 0 H ALA A 57 -15.323 -10.840 2.820 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.827 -8.464 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.219 -8.320 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.608 -9.973 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.297 -9.580 1.009 1.00 0.00 H new ATOM 878 N VAL A 58 -16.875 -8.133 3.522 1.00 0.00 N ATOM 879 CA VAL A 58 -17.801 -7.189 4.124 1.00 0.00 C ATOM 880 C VAL A 58 -17.194 -6.639 5.416 1.00 0.00 C ATOM 881 O VAL A 58 -17.078 -5.426 5.585 1.00 0.00 O ATOM 882 CB VAL A 58 -19.162 -7.854 4.339 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.888 -7.244 5.539 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.021 -7.766 3.076 1.00 0.00 C ATOM 0 H VAL A 58 -17.193 -9.102 3.523 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.970 -6.343 3.458 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.989 -8.908 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.852 -7.735 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.286 -7.383 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.043 -6.179 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.983 -8.246 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.181 -6.719 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.512 -8.270 2.254 1.00 0.00 H new ATOM 894 N ARG A 59 -16.822 -7.558 6.295 1.00 0.00 N ATOM 895 CA ARG A 59 -16.229 -7.181 7.567 1.00 0.00 C ATOM 896 C ARG A 59 -14.987 -6.318 7.339 1.00 0.00 C ATOM 897 O ARG A 59 -14.557 -5.593 8.234 1.00 0.00 O ATOM 898 CB ARG A 59 -15.841 -8.416 8.382 1.00 0.00 C ATOM 899 CG ARG A 59 -16.909 -8.741 9.428 1.00 0.00 C ATOM 900 CD ARG A 59 -17.417 -10.175 9.267 1.00 0.00 C ATOM 901 NE ARG A 59 -18.599 -10.197 8.377 1.00 0.00 N ATOM 902 CZ ARG A 59 -19.818 -9.733 8.727 1.00 0.00 C ATOM 903 NH1 ARG A 59 -20.025 -9.206 9.953 1.00 0.00 N ATOM 904 NH2 ARG A 59 -20.804 -9.802 7.852 1.00 0.00 N ATOM 0 H ARG A 59 -16.920 -8.563 6.151 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.974 -6.612 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.708 -9.269 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.884 -8.245 8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.496 -8.608 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.741 -8.044 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.629 -10.804 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.677 -10.589 10.241 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.486 -10.587 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.257 -9.156 10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.949 -8.858 10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.639 -10.201 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.731 -9.456 8.100 1.00 0.00 H new ATOM 917 N LEU A 60 -14.444 -6.425 6.134 1.00 0.00 N ATOM 918 CA LEU A 60 -13.260 -5.663 5.777 1.00 0.00 C ATOM 919 C LEU A 60 -13.671 -4.244 5.382 1.00 0.00 C ATOM 920 O LEU A 60 -13.014 -3.275 5.761 1.00 0.00 O ATOM 921 CB LEU A 60 -12.459 -6.394 4.697 1.00 0.00 C ATOM 922 CG LEU A 60 -11.152 -5.726 4.264 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.118 -5.761 5.390 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.617 -6.353 2.975 1.00 0.00 C ATOM 0 H LEU A 60 -14.803 -7.028 5.394 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.592 -5.574 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.229 -7.396 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.093 -6.510 3.818 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.359 -4.677 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.199 -5.280 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.509 -5.232 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.908 -6.796 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.688 -5.860 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.430 -7.415 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.352 -6.232 2.179 1.00 0.00 H new ATOM 936 N ARG A 61 -14.756 -4.165 4.626 1.00 0.00 N ATOM 937 CA ARG A 61 -15.263 -2.880 4.176 1.00 0.00 C ATOM 938 C ARG A 61 -15.818 -2.084 5.359 1.00 0.00 C ATOM 939 O ARG A 61 -15.326 -0.999 5.667 1.00 0.00 O ATOM 940 CB ARG A 61 -16.365 -3.058 3.129 1.00 0.00 C ATOM 941 CG ARG A 61 -17.029 -1.720 2.798 1.00 0.00 C ATOM 942 CD ARG A 61 -18.486 -1.701 3.263 1.00 0.00 C ATOM 943 NE ARG A 61 -19.323 -2.496 2.336 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.594 -2.869 2.594 1.00 0.00 C ATOM 945 NH1 ARG A 61 -21.187 -2.522 3.756 1.00 0.00 N ATOM 946 NH2 ARG A 61 -21.249 -3.579 1.694 1.00 0.00 N ATOM 0 H ARG A 61 -15.298 -4.970 4.314 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.433 -2.336 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.943 -3.493 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.114 -3.758 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.480 -0.909 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.984 -1.544 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.560 -2.107 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.850 -0.674 3.305 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.913 -2.780 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.674 -1.974 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.148 -2.808 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.794 -3.838 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.210 -3.869 1.874 1.00 0.00 H new ATOM 959 N ASN A 62 -16.834 -2.654 5.991 1.00 0.00 N ATOM 960 CA ASN A 62 -17.460 -2.011 7.133 1.00 0.00 C ATOM 961 C ASN A 62 -16.383 -1.617 8.146 1.00 0.00 C ATOM 962 O ASN A 62 -16.576 -0.695 8.936 1.00 0.00 O ATOM 963 CB ASN A 62 -18.440 -2.958 7.829 1.00 0.00 C ATOM 964 CG ASN A 62 -17.924 -4.398 7.800 1.00 0.00 C ATOM 965 OD1 ASN A 62 -16.764 -4.675 8.055 1.00 0.00 O ATOM 966 ND2 ASN A 62 -18.849 -5.297 7.475 1.00 0.00 N ATOM 0 H ASN A 62 -17.239 -3.554 5.733 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.999 -1.135 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.587 -2.641 8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -19.412 -2.906 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.604 -6.286 7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.803 -4.997 7.273 1.00 0.00 H new ATOM 973 N LEU A 63 -15.271 -2.336 8.088 1.00 0.00 N ATOM 974 CA LEU A 63 -14.163 -2.073 8.990 1.00 0.00 C ATOM 975 C LEU A 63 -13.279 -0.972 8.399 1.00 0.00 C ATOM 976 O LEU A 63 -12.850 -0.066 9.112 1.00 0.00 O ATOM 977 CB LEU A 63 -13.407 -3.367 9.302 1.00 0.00 C ATOM 978 CG LEU A 63 -12.138 -3.216 10.143 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.450 -2.572 11.495 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.422 -4.559 10.299 1.00 0.00 C ATOM 0 H LEU A 63 -15.114 -3.100 7.431 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.531 -1.707 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.085 -4.044 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.140 -3.845 8.359 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.457 -2.547 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.531 -2.476 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.883 -1.585 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.158 -3.196 12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.523 -4.424 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.085 -5.270 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.147 -4.941 9.316 1.00 0.00 H new ATOM 992 N LEU A 64 -13.034 -1.087 7.102 1.00 0.00 N ATOM 993 CA LEU A 64 -12.210 -0.113 6.407 1.00 0.00 C ATOM 994 C LEU A 64 -12.989 1.195 6.261 1.00 0.00 C ATOM 995 O LEU A 64 -12.444 2.198 5.802 1.00 0.00 O ATOM 996 CB LEU A 64 -11.712 -0.684 5.078 1.00 0.00 C ATOM 997 CG LEU A 64 -10.545 -1.670 5.167 1.00 0.00 C ATOM 998 CD1 LEU A 64 -9.815 -1.778 3.827 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.597 -1.296 6.308 1.00 0.00 C ATOM 0 H LEU A 64 -13.392 -1.840 6.514 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.314 0.112 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.546 -1.182 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.413 0.146 4.438 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.948 -2.657 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.990 -2.485 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.509 -2.126 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.425 -0.800 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.777 -2.013 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.197 -0.297 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.141 -1.312 7.253 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.251 1.144 6.660 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.110 2.313 6.579 1.00 0.00 C ATOM 1013 C ASN A 65 -14.557 3.411 7.489 1.00 0.00 C ATOM 1014 O ASN A 65 -14.850 4.590 7.294 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.531 1.986 7.043 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.466 1.787 5.849 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.428 2.511 5.653 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.131 0.767 5.063 1.00 0.00 N ATOM 0 H ASN A 65 -14.700 0.311 7.041 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.136 2.640 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.519 1.084 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.906 2.793 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.693 0.552 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.312 0.200 5.284 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.766 2.985 8.463 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.168 3.918 9.404 1.00 0.00 C ATOM 1027 C ALA A 66 -11.760 4.282 8.929 1.00 0.00 C ATOM 1028 O ALA A 66 -11.177 5.259 9.397 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.171 3.303 10.804 1.00 0.00 C ATOM 0 H ALA A 66 -13.525 2.007 8.621 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.748 4.840 9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.723 4.002 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.197 3.090 11.106 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.596 2.377 10.796 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.254 3.476 8.007 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.925 3.702 7.465 1.00 0.00 C ATOM 1037 C ALA A 67 -9.964 4.895 6.509 1.00 0.00 C ATOM 1038 O ALA A 67 -8.947 5.550 6.285 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.429 2.425 6.783 1.00 0.00 C ATOM 0 H ALA A 67 -11.740 2.666 7.622 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.221 3.942 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.432 2.594 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.392 1.615 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.110 2.156 5.975 1.00 0.00 H new ATOM 1045 N THR A 68 -11.150 5.142 5.970 1.00 0.00 N ATOM 1046 CA THR A 68 -11.335 6.246 5.043 1.00 0.00 C ATOM 1047 C THR A 68 -12.536 7.097 5.461 1.00 0.00 C ATOM 1048 O THR A 68 -12.464 8.325 5.453 1.00 0.00 O ATOM 1049 CB THR A 68 -11.463 5.663 3.634 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.493 4.686 3.755 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.231 4.857 3.219 1.00 0.00 C ATOM 0 H THR A 68 -11.991 4.597 6.158 1.00 0.00 H new ATOM 0 HA THR A 68 -10.479 6.921 5.054 1.00 0.00 H new ATOM 0 HB THR A 68 -11.624 6.471 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.534 4.151 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.374 4.466 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.352 5.501 3.237 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.088 4.029 3.913 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.613 6.410 5.815 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.828 7.088 6.234 1.00 0.00 C ATOM 1061 C GLY A 69 -15.980 6.792 5.273 1.00 0.00 C ATOM 1062 O GLY A 69 -17.135 7.095 5.570 1.00 0.00 O ATOM 0 H GLY A 69 -13.669 5.392 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.098 6.769 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.653 8.163 6.277 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.627 6.203 4.140 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.618 5.862 3.133 1.00 0.00 C ATOM 1068 C LEU A 70 -17.036 4.401 3.309 1.00 0.00 C ATOM 1069 O LEU A 70 -16.618 3.742 4.260 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.093 6.187 1.733 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.837 5.431 1.295 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.987 4.901 -0.132 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.590 6.302 1.456 1.00 0.00 C ATOM 0 H LEU A 70 -14.668 5.953 3.897 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.515 6.468 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.885 5.983 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.885 7.256 1.684 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.712 4.567 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.081 4.368 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.838 4.222 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.149 5.735 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.711 5.741 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.690 7.198 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.479 6.588 2.502 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.857 3.937 2.378 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.336 2.566 2.418 1.00 0.00 C ATOM 1087 C ARG A 71 -17.425 1.661 1.586 1.00 0.00 C ATOM 1088 O ARG A 71 -17.721 0.482 1.397 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.767 2.467 1.885 1.00 0.00 C ATOM 1090 CG ARG A 71 -19.812 2.747 0.382 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.214 2.499 -0.180 1.00 0.00 C ATOM 1092 NE ARG A 71 -21.867 3.788 -0.498 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.146 3.907 -0.915 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.920 2.812 -1.069 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.627 5.109 -1.171 1.00 0.00 N ATOM 0 H ARG A 71 -18.203 4.487 1.591 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.325 2.241 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.166 1.473 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.405 3.178 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.517 3.779 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.092 2.110 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.151 1.883 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.813 1.948 0.545 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.316 4.641 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.540 1.887 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.885 2.910 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.035 5.931 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.591 5.216 -1.487 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.336 2.247 1.111 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.380 1.508 0.304 1.00 0.00 C ATOM 1110 C LEU A 72 -16.105 0.877 -0.887 1.00 0.00 C ATOM 1111 O LEU A 72 -17.332 0.792 -0.897 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.618 0.499 1.165 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.299 0.991 1.765 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.523 1.609 3.147 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.261 -0.132 1.801 1.00 0.00 C ATOM 0 H LEU A 72 -16.094 3.225 1.269 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.624 2.180 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.269 0.182 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.412 -0.383 0.559 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.902 1.776 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.570 1.951 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.205 2.455 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.953 0.862 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.333 0.244 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.636 -0.955 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.073 -0.486 0.788 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.294 0.439 -1.887 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.845 -0.182 -3.079 1.00 0.00 C ATOM 1129 C PRO A 73 -16.314 -1.609 -2.788 1.00 0.00 C ATOM 1130 O PRO A 73 -15.689 -2.324 -2.006 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.726 -0.123 -4.107 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.447 0.104 -3.317 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.837 0.523 -1.909 1.00 0.00 C ATOM 0 HA PRO A 73 -16.734 0.331 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.672 -1.049 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.893 0.684 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.847 -0.806 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.838 0.875 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.391 -0.134 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.495 1.534 -1.688 1.00 0.00 H new ATOM 1141 N SER A 74 -17.410 -1.981 -3.432 1.00 0.00 N ATOM 1142 CA SER A 74 -17.970 -3.310 -3.251 1.00 0.00 C ATOM 1143 C SER A 74 -17.012 -4.362 -3.814 1.00 0.00 C ATOM 1144 O SER A 74 -17.034 -5.516 -3.390 1.00 0.00 O ATOM 1145 CB SER A 74 -19.340 -3.426 -3.922 1.00 0.00 C ATOM 1146 OG SER A 74 -19.343 -2.864 -5.232 1.00 0.00 O ATOM 0 H SER A 74 -17.926 -1.386 -4.080 1.00 0.00 H new ATOM 0 HA SER A 74 -18.103 -3.483 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.629 -4.476 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.087 -2.922 -3.310 1.00 0.00 H new ATOM 0 HG SER A 74 -20.235 -2.959 -5.627 1.00 0.00 H new ATOM 1152 N THR A 75 -16.195 -3.926 -4.761 1.00 0.00 N ATOM 1153 CA THR A 75 -15.231 -4.816 -5.386 1.00 0.00 C ATOM 1154 C THR A 75 -13.900 -4.773 -4.633 1.00 0.00 C ATOM 1155 O THR A 75 -12.925 -5.396 -5.053 1.00 0.00 O ATOM 1156 CB THR A 75 -15.109 -4.421 -6.859 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.779 -3.035 -6.821 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.452 -4.464 -7.590 1.00 0.00 C ATOM 0 H THR A 75 -16.180 -2.968 -5.111 1.00 0.00 H new ATOM 0 HA THR A 75 -15.562 -5.854 -5.339 1.00 0.00 H new ATOM 0 HB THR A 75 -14.404 -5.087 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.679 -2.697 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.309 -4.175 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.858 -5.475 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.148 -3.773 -7.114 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.901 -4.033 -3.534 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.705 -3.901 -2.719 1.00 0.00 C ATOM 1168 C LEU A 76 -12.017 -5.263 -2.607 1.00 0.00 C ATOM 1169 O LEU A 76 -10.877 -5.424 -3.040 1.00 0.00 O ATOM 1170 CB LEU A 76 -13.045 -3.271 -1.367 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.987 -3.420 -0.272 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -10.965 -2.283 -0.339 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -12.637 -3.526 1.108 1.00 0.00 C ATOM 0 H LEU A 76 -14.711 -3.518 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.995 -3.222 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.233 -2.208 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.976 -3.710 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.446 -4.350 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.224 -2.413 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.468 -2.297 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.474 -1.328 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.863 -3.631 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.220 -2.626 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -13.293 -4.396 1.135 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.739 -6.209 -2.024 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.212 -7.552 -1.849 1.00 0.00 C ATOM 1187 C VAL A 77 -12.512 -8.379 -3.101 1.00 0.00 C ATOM 1188 O VAL A 77 -12.599 -9.604 -3.033 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.778 -8.174 -0.571 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.258 -9.600 -0.379 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.462 -7.305 0.648 1.00 0.00 C ATOM 0 H VAL A 77 -13.685 -6.072 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.129 -7.525 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.862 -8.224 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.675 -10.019 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.557 -10.214 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.170 -9.584 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.875 -7.770 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.382 -7.208 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.903 -6.317 0.515 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.662 -7.677 -4.214 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.951 -8.331 -5.479 1.00 0.00 C ATOM 1203 C PHE A 78 -12.173 -7.678 -6.624 1.00 0.00 C ATOM 1204 O PHE A 78 -12.415 -7.977 -7.792 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.449 -8.165 -5.737 1.00 0.00 C ATOM 1206 CG PHE A 78 -15.192 -9.484 -5.963 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.823 -10.306 -6.982 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -16.220 -9.834 -5.145 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.511 -11.530 -7.192 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.909 -11.058 -5.355 1.00 0.00 C ATOM 1211 CZ PHE A 78 -16.540 -11.880 -6.374 1.00 0.00 C ATOM 0 H PHE A 78 -12.589 -6.661 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.661 -9.380 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.898 -7.648 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.588 -7.527 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.006 -10.027 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -16.513 -9.181 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.218 -12.183 -8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -17.726 -11.336 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 78 -17.064 -12.811 -6.534 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.255 -6.800 -6.248 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.441 -6.103 -7.229 1.00 0.00 C ATOM 1223 C ASP A 79 -9.006 -5.993 -6.708 1.00 0.00 C ATOM 1224 O ASP A 79 -8.053 -6.108 -7.477 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.965 -4.686 -7.473 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.191 -4.325 -8.942 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.485 -5.194 -9.776 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.052 -3.073 -9.223 1.00 0.00 O ATOM 0 H ASP A 79 -11.057 -6.555 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.479 -6.667 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.906 -4.565 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.259 -3.975 -7.044 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.898 -5.772 -5.406 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.595 -5.646 -4.774 1.00 0.00 C ATOM 1236 C HIS A 80 -7.087 -7.030 -4.366 1.00 0.00 C ATOM 1237 O HIS A 80 -7.740 -7.733 -3.597 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.654 -4.665 -3.601 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.870 -5.325 -2.260 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.995 -6.260 -1.735 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.868 -5.174 -1.343 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -7.456 -6.648 -0.555 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -8.618 -5.974 -0.314 1.00 0.00 N ATOM 0 H HIS A 80 -9.691 -5.677 -4.772 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.880 -5.230 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.725 -4.096 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.459 -3.951 -3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.140 -6.594 -2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.718 -4.515 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.993 -7.371 0.101 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.894 -7.388 -4.912 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.290 -8.675 -4.613 1.00 0.00 C ATOM 1253 C PRO A 81 -4.688 -8.684 -3.206 1.00 0.00 C ATOM 1254 O PRO A 81 -4.859 -9.647 -2.460 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.253 -8.887 -5.704 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.990 -7.514 -6.301 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.092 -6.580 -5.826 1.00 0.00 C ATOM 0 HA PRO A 81 -6.015 -9.489 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.339 -9.317 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.620 -9.579 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.014 -7.143 -5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.978 -7.567 -7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.680 -5.705 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.690 -6.216 -6.661 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.995 -7.601 -2.887 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.366 -7.472 -1.583 1.00 0.00 C ATOM 1267 C ASN A 82 -3.799 -6.152 -0.941 1.00 0.00 C ATOM 1268 O ASN A 82 -4.651 -5.446 -1.479 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.841 -7.459 -1.706 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.406 -6.963 -3.086 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.235 -5.778 -3.323 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.237 -7.932 -3.981 1.00 0.00 N ATOM 0 H ASN A 82 -3.855 -6.805 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.672 -8.324 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.416 -6.817 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.450 -8.462 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.947 -7.703 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.397 -8.904 -3.717 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.193 -5.859 0.200 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.506 -4.637 0.921 1.00 0.00 C ATOM 1281 C ALA A 83 -2.803 -3.458 0.245 1.00 0.00 C ATOM 1282 O ALA A 83 -3.398 -2.396 0.066 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.103 -4.792 2.388 1.00 0.00 C ATOM 0 H ALA A 83 -2.487 -6.447 0.643 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.578 -4.441 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.338 -3.875 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.651 -5.624 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.033 -4.987 2.453 1.00 0.00 H new ATOM 1289 N SER A 84 -1.548 -3.684 -0.112 1.00 0.00 N ATOM 1290 CA SER A 84 -0.758 -2.653 -0.764 1.00 0.00 C ATOM 1291 C SER A 84 -1.600 -1.941 -1.825 1.00 0.00 C ATOM 1292 O SER A 84 -1.352 -0.779 -2.142 1.00 0.00 O ATOM 1293 CB SER A 84 0.504 -3.244 -1.397 1.00 0.00 C ATOM 1294 OG SER A 84 1.667 -2.484 -1.078 1.00 0.00 O ATOM 0 H SER A 84 -1.058 -4.566 0.038 1.00 0.00 H new ATOM 0 HA SER A 84 -0.449 -1.930 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.636 -4.270 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.382 -3.284 -2.479 1.00 0.00 H new ATOM 0 HG SER A 84 2.451 -2.894 -1.499 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.578 -2.669 -2.345 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.458 -2.121 -3.363 1.00 0.00 C ATOM 1302 C ALA A 85 -4.581 -1.331 -2.689 1.00 0.00 C ATOM 1303 O ALA A 85 -4.914 -0.228 -3.120 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.989 -3.255 -4.242 1.00 0.00 C ATOM 0 H ALA A 85 -2.780 -3.633 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.914 -1.433 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.649 -2.845 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.154 -3.766 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.543 -3.964 -3.626 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.135 -1.926 -1.643 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.213 -1.291 -0.905 1.00 0.00 C ATOM 1312 C VAL A 86 -5.830 0.156 -0.593 1.00 0.00 C ATOM 1313 O VAL A 86 -6.605 1.077 -0.848 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.541 -2.106 0.348 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.161 -1.221 1.431 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.457 -3.284 0.011 1.00 0.00 C ATOM 0 H VAL A 86 -4.857 -2.841 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.122 -1.264 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.607 -2.509 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.385 -1.825 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.460 -0.432 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.081 -0.775 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.675 -3.847 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.388 -2.911 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.962 -3.935 -0.710 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.633 0.313 -0.046 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.137 1.633 0.304 1.00 0.00 C ATOM 1328 C ALA A 87 -4.397 2.595 -0.857 1.00 0.00 C ATOM 1329 O ALA A 87 -4.935 3.683 -0.658 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.653 1.542 0.664 1.00 0.00 C ATOM 0 H ALA A 87 -3.992 -0.453 0.163 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.661 2.021 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.281 2.532 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.525 0.870 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.094 1.159 -0.190 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.004 2.159 -2.045 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.188 2.968 -3.238 1.00 0.00 C ATOM 1338 C GLY A 88 -5.669 3.273 -3.470 1.00 0.00 C ATOM 1339 O GLY A 88 -6.063 4.436 -3.545 1.00 0.00 O ATOM 0 H GLY A 88 -3.559 1.256 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.632 3.900 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.781 2.445 -4.103 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.450 2.208 -3.577 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.879 2.347 -3.800 1.00 0.00 C ATOM 1345 C PHE A 89 -8.503 3.298 -2.776 1.00 0.00 C ATOM 1346 O PHE A 89 -9.512 3.942 -3.057 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.496 0.957 -3.629 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.607 0.642 -4.632 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.609 1.538 -4.840 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.593 -0.533 -5.316 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.641 1.246 -5.771 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.625 -0.825 -6.247 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.627 0.070 -6.455 1.00 0.00 C ATOM 0 H PHE A 89 -6.120 1.245 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.063 2.754 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.710 0.208 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.897 0.870 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.620 2.472 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.797 -1.244 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.437 1.957 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.614 -1.758 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.412 -0.152 -7.163 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.876 3.355 -1.610 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.357 4.217 -0.544 1.00 0.00 C ATOM 1365 C LEU A 90 -7.796 5.626 -0.740 1.00 0.00 C ATOM 1366 O LEU A 90 -8.510 6.613 -0.564 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.032 3.610 0.823 1.00 0.00 C ATOM 1368 CG LEU A 90 -8.694 2.267 1.135 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -8.071 1.623 2.375 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.211 2.421 1.270 1.00 0.00 C ATOM 0 H LEU A 90 -7.039 2.818 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.443 4.299 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.952 3.485 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.323 4.324 1.594 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.512 1.594 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.560 0.670 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.008 1.456 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.201 2.284 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.657 1.451 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.436 3.117 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.622 2.804 0.336 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.523 5.677 -1.102 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.857 6.949 -1.324 1.00 0.00 C ATOM 1384 C ASP A 91 -6.629 7.746 -2.378 1.00 0.00 C ATOM 1385 O ASP A 91 -6.906 8.930 -2.186 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.431 6.743 -1.839 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.467 7.895 -1.550 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.477 7.731 -0.821 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.769 9.014 -2.115 1.00 0.00 O ATOM 0 H ASP A 91 -5.934 4.857 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.823 7.482 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.029 5.832 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.469 6.583 -2.916 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.955 7.066 -3.467 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.690 7.696 -4.551 1.00 0.00 C ATOM 1397 C ALA A 92 -9.038 8.195 -4.025 1.00 0.00 C ATOM 1398 O ALA A 92 -9.532 9.233 -4.462 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.846 6.704 -5.706 1.00 0.00 C ATOM 0 H ALA A 92 -6.724 6.085 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.145 8.559 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.397 7.176 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.861 6.403 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.391 5.826 -5.360 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.594 7.432 -3.096 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.874 7.784 -2.506 1.00 0.00 C ATOM 1407 C GLU A 93 -10.710 8.964 -1.546 1.00 0.00 C ATOM 1408 O GLU A 93 -11.659 9.709 -1.305 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.500 6.582 -1.796 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.015 5.555 -2.806 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.532 5.667 -2.976 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.061 6.780 -3.109 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.166 4.543 -2.966 1.00 0.00 O ATOM 0 H GLU A 93 -9.181 6.571 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.550 8.084 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.762 6.116 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.321 6.917 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.525 5.708 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.756 4.550 -2.473 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.500 9.098 -1.025 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.199 10.174 -0.097 1.00 0.00 C ATOM 1423 C LEU A 94 -8.718 11.397 -0.880 1.00 0.00 C ATOM 1424 O LEU A 94 -8.809 12.524 -0.395 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.212 9.701 0.972 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.728 8.628 1.934 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.586 8.042 2.765 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.854 9.176 2.813 1.00 0.00 C ATOM 0 H LEU A 94 -8.716 8.478 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.097 10.473 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.323 9.316 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.899 10.566 1.557 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.147 7.813 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.980 7.282 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.848 7.591 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.115 8.835 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.203 8.394 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.483 10.019 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.680 9.506 2.183 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.216 11.134 -2.077 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.720 12.199 -2.932 1.00 0.00 C ATOM 1442 C GLY A 95 -8.209 12.020 -4.371 1.00 0.00 C ATOM 1443 O GLY A 95 -8.576 12.991 -5.031 1.00 0.00 O ATOM 0 H GLY A 95 -8.142 10.198 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.053 13.163 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.630 12.208 -2.913 1.00 0.00 H new