USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot -170:sc= 0.596 USER MOD Set 1.2: A 70 SER OG : rot 114:sc= 0.447 USER MOD Single : A 15 MET CE :methyl -112:sc= -1.87 (180deg=-6.99!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 160:sc= -3.13! (180deg=-4.52!) USER MOD Single : A 36 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.174 K(o=0.17,f=-3.7!) USER MOD Single : A 42 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.78) USER MOD Single : A 44 SER OG : rot -85:sc= -6.64! USER MOD Single : A 46 CYS SG : rot -41:sc= -1.51 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.072) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -6.94! USER MOD Single : A 63 MET CE :methyl 173:sc= -0.208 (180deg=-0.291) USER MOD Single : A 65 THR OG1 : rot 89:sc= -0.365 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 73 SER OG : rot 87:sc= 0.419 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= -0.697 (180deg=-0.707) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.211 -8.980 8.416 1.00 0.00 N ATOM 186 CA MET A 15 8.019 -7.801 8.678 1.00 0.00 C ATOM 187 C MET A 15 7.237 -6.521 8.373 1.00 0.00 C ATOM 188 O MET A 15 6.211 -6.563 7.696 1.00 0.00 O ATOM 189 CB MET A 15 9.282 -7.846 7.816 1.00 0.00 C ATOM 190 CG MET A 15 8.935 -8.104 6.348 1.00 0.00 C ATOM 191 SD MET A 15 8.585 -6.560 5.523 1.00 0.00 S ATOM 192 CE MET A 15 10.178 -5.768 5.659 1.00 0.00 C ATOM 0 HA MET A 15 8.289 -7.796 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.822 -6.903 7.906 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.947 -8.630 8.179 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.764 -8.610 5.853 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.071 -8.766 6.281 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.103 -4.914 6.332 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.905 -6.478 6.053 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.500 -5.427 4.675 1.00 0.00 H new ATOM 202 N THR A 16 7.752 -5.414 8.888 1.00 0.00 N ATOM 203 CA THR A 16 7.115 -4.125 8.678 1.00 0.00 C ATOM 204 C THR A 16 8.068 -3.171 7.956 1.00 0.00 C ATOM 205 O THR A 16 9.220 -3.016 8.357 1.00 0.00 O ATOM 206 CB THR A 16 6.648 -3.603 10.038 1.00 0.00 C ATOM 207 OG1 THR A 16 5.745 -4.603 10.503 1.00 0.00 O ATOM 208 CG2 THR A 16 5.782 -2.347 9.917 1.00 0.00 C ATOM 0 H THR A 16 8.603 -5.383 9.450 1.00 0.00 H new ATOM 0 HA THR A 16 6.243 -4.215 8.030 1.00 0.00 H new ATOM 0 HB THR A 16 7.516 -3.387 10.661 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.396 -4.345 11.382 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.477 -2.018 10.911 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.354 -1.556 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.897 -2.571 9.322 1.00 0.00 H new ATOM 216 N GLU A 17 7.551 -2.555 6.902 1.00 0.00 N ATOM 217 CA GLU A 17 8.342 -1.620 6.120 1.00 0.00 C ATOM 218 C GLU A 17 7.666 -0.248 6.092 1.00 0.00 C ATOM 219 O GLU A 17 6.554 -0.089 6.594 1.00 0.00 O ATOM 220 CB GLU A 17 8.570 -2.148 4.702 1.00 0.00 C ATOM 221 CG GLU A 17 10.049 -2.462 4.466 1.00 0.00 C ATOM 222 CD GLU A 17 10.928 -1.261 4.819 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.130 -0.421 3.916 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.379 -1.211 5.984 1.00 0.00 O ATOM 0 H GLU A 17 6.595 -2.685 6.572 1.00 0.00 H new ATOM 0 HA GLU A 17 9.318 -1.513 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.974 -3.047 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.231 -1.409 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.343 -3.322 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.204 -2.736 3.423 1.00 0.00 H new ATOM 231 N GLU A 18 8.366 0.709 5.500 1.00 0.00 N ATOM 232 CA GLU A 18 7.848 2.063 5.401 1.00 0.00 C ATOM 233 C GLU A 18 7.942 2.563 3.958 1.00 0.00 C ATOM 234 O GLU A 18 9.029 2.882 3.478 1.00 0.00 O ATOM 235 CB GLU A 18 8.584 3.004 6.356 1.00 0.00 C ATOM 236 CG GLU A 18 8.124 4.450 6.164 1.00 0.00 C ATOM 237 CD GLU A 18 8.331 5.266 7.442 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.392 5.276 8.267 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.424 5.861 7.565 1.00 0.00 O ATOM 0 H GLU A 18 9.287 0.573 5.084 1.00 0.00 H new ATOM 0 HA GLU A 18 6.798 2.051 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.405 2.695 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.658 2.935 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.678 4.906 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.071 4.466 5.885 1.00 0.00 H new ATOM 246 N TYR A 19 6.790 2.614 3.306 1.00 0.00 N ATOM 247 CA TYR A 19 6.729 3.069 1.927 1.00 0.00 C ATOM 248 C TYR A 19 5.967 4.392 1.820 1.00 0.00 C ATOM 249 O TYR A 19 4.794 4.467 2.181 1.00 0.00 O ATOM 250 CB TYR A 19 5.964 1.989 1.160 1.00 0.00 C ATOM 251 CG TYR A 19 6.165 2.043 -0.356 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.383 1.698 -0.904 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.126 2.437 -1.176 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.572 1.749 -2.330 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.315 2.488 -2.602 1.00 0.00 C ATOM 256 CZ TYR A 19 6.528 2.141 -3.109 1.00 0.00 C ATOM 257 OH TYR A 19 6.706 2.189 -4.457 1.00 0.00 O ATOM 0 H TYR A 19 5.891 2.348 3.707 1.00 0.00 H new ATOM 0 HA TYR A 19 7.732 3.231 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.276 1.010 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.901 2.086 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.195 1.389 -0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.172 2.707 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.521 1.482 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.511 2.795 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 19 5.876 2.485 -4.886 1.00 0.00 H new ATOM 267 N LYS A 20 6.665 5.401 1.321 1.00 0.00 N ATOM 268 CA LYS A 20 6.069 6.716 1.161 1.00 0.00 C ATOM 269 C LYS A 20 5.512 6.850 -0.258 1.00 0.00 C ATOM 270 O LYS A 20 6.204 6.554 -1.230 1.00 0.00 O ATOM 271 CB LYS A 20 7.074 7.809 1.533 1.00 0.00 C ATOM 272 CG LYS A 20 7.066 8.071 3.040 1.00 0.00 C ATOM 273 CD LYS A 20 7.143 9.570 3.336 1.00 0.00 C ATOM 274 CE LYS A 20 8.274 9.878 4.319 1.00 0.00 C ATOM 275 NZ LYS A 20 9.358 10.626 3.644 1.00 0.00 N ATOM 0 H LYS A 20 7.638 5.334 1.022 1.00 0.00 H new ATOM 0 HA LYS A 20 5.230 6.840 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.074 7.511 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.832 8.728 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.159 7.656 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.909 7.561 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.303 10.120 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.194 9.912 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.888 10.461 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.668 8.949 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.118 10.827 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.737 10.057 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.982 11.521 3.271 1.00 0.00 H new ATOM 289 N VAL A 21 4.267 7.297 -0.331 1.00 0.00 N ATOM 290 CA VAL A 21 3.609 7.473 -1.614 1.00 0.00 C ATOM 291 C VAL A 21 3.158 8.929 -1.755 1.00 0.00 C ATOM 292 O VAL A 21 3.014 9.637 -0.760 1.00 0.00 O ATOM 293 CB VAL A 21 2.459 6.475 -1.754 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.988 5.051 -1.936 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.511 6.559 -0.556 1.00 0.00 C ATOM 0 H VAL A 21 3.696 7.543 0.478 1.00 0.00 H new ATOM 0 HA VAL A 21 4.301 7.266 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 21 1.893 6.739 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.150 4.361 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.603 5.003 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.589 4.773 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.702 5.839 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.060 6.334 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.095 7.564 -0.491 1.00 0.00 H new ATOM 305 N PRO A 22 2.942 9.342 -3.033 1.00 0.00 N ATOM 306 CA PRO A 22 2.511 10.700 -3.317 1.00 0.00 C ATOM 307 C PRO A 22 1.033 10.890 -2.969 1.00 0.00 C ATOM 308 O PRO A 22 0.162 10.281 -3.589 1.00 0.00 O ATOM 309 CB PRO A 22 2.804 10.905 -4.794 1.00 0.00 C ATOM 310 CG PRO A 22 2.955 9.513 -5.386 1.00 0.00 C ATOM 311 CD PRO A 22 3.103 8.531 -4.236 1.00 0.00 C ATOM 0 HA PRO A 22 3.034 11.442 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.996 11.451 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.713 11.490 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.086 9.261 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.826 9.469 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.350 7.745 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.077 8.041 -4.256 1.00 0.00 H new ATOM 319 N ASP A 23 0.795 11.737 -1.979 1.00 0.00 N ATOM 320 CA ASP A 23 -0.562 12.015 -1.541 1.00 0.00 C ATOM 321 C ASP A 23 -1.412 12.411 -2.750 1.00 0.00 C ATOM 322 O ASP A 23 -2.638 12.309 -2.711 1.00 0.00 O ATOM 323 CB ASP A 23 -0.593 13.173 -0.541 1.00 0.00 C ATOM 324 CG ASP A 23 -0.608 14.568 -1.168 1.00 0.00 C ATOM 325 OD1 ASP A 23 -1.717 15.012 -1.538 1.00 0.00 O ATOM 326 OD2 ASP A 23 0.489 15.160 -1.264 1.00 0.00 O ATOM 0 H ASP A 23 1.520 12.240 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.953 11.117 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.475 13.065 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.277 13.093 0.111 1.00 0.00 H new ATOM 331 N GLY A 24 -0.728 12.855 -3.794 1.00 0.00 N ATOM 332 CA GLY A 24 -1.405 13.268 -5.011 1.00 0.00 C ATOM 333 C GLY A 24 -1.813 12.054 -5.850 1.00 0.00 C ATOM 334 O GLY A 24 -2.332 12.205 -6.955 1.00 0.00 O ATOM 0 H GLY A 24 0.288 12.938 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.289 13.854 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.750 13.914 -5.595 1.00 0.00 H new ATOM 338 N MET A 25 -1.562 10.879 -5.292 1.00 0.00 N ATOM 339 CA MET A 25 -1.896 9.640 -5.975 1.00 0.00 C ATOM 340 C MET A 25 -2.582 8.658 -5.024 1.00 0.00 C ATOM 341 O MET A 25 -3.567 8.019 -5.390 1.00 0.00 O ATOM 342 CB MET A 25 -0.622 9.005 -6.533 1.00 0.00 C ATOM 343 CG MET A 25 -0.087 9.804 -7.723 1.00 0.00 C ATOM 344 SD MET A 25 -1.309 9.856 -9.023 1.00 0.00 S ATOM 345 CE MET A 25 -1.197 8.178 -9.622 1.00 0.00 C ATOM 0 H MET A 25 -1.132 10.758 -4.375 1.00 0.00 H new ATOM 0 HA MET A 25 -2.584 9.870 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.137 8.957 -5.752 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.827 7.980 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.164 10.817 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.831 9.349 -8.094 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.104 7.927 -10.172 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.335 8.084 -10.282 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.084 7.497 -8.778 1.00 0.00 H new ATOM 355 N VAL A 26 -2.035 8.568 -3.820 1.00 0.00 N ATOM 356 CA VAL A 26 -2.581 7.675 -2.814 1.00 0.00 C ATOM 357 C VAL A 26 -4.107 7.787 -2.813 1.00 0.00 C ATOM 358 O VAL A 26 -4.807 6.776 -2.845 1.00 0.00 O ATOM 359 CB VAL A 26 -1.959 7.980 -1.450 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.623 9.198 -0.804 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.035 6.761 -0.528 1.00 0.00 C ATOM 0 H VAL A 26 -1.218 9.100 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.331 6.640 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.907 8.216 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.162 9.393 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.494 10.067 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.687 9.003 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.586 7.005 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.078 6.480 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.495 5.929 -0.980 1.00 0.00 H new ATOM 371 N GLY A 27 -4.578 9.025 -2.777 1.00 0.00 N ATOM 372 CA GLY A 27 -6.008 9.282 -2.772 1.00 0.00 C ATOM 373 C GLY A 27 -6.718 8.451 -3.842 1.00 0.00 C ATOM 374 O GLY A 27 -7.876 8.073 -3.673 1.00 0.00 O ATOM 0 H GLY A 27 -3.994 9.861 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.420 9.046 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.191 10.342 -2.949 1.00 0.00 H new ATOM 378 N PHE A 28 -5.995 8.192 -4.921 1.00 0.00 N ATOM 379 CA PHE A 28 -6.541 7.413 -6.020 1.00 0.00 C ATOM 380 C PHE A 28 -6.177 5.934 -5.877 1.00 0.00 C ATOM 381 O PHE A 28 -6.871 5.066 -6.404 1.00 0.00 O ATOM 382 CB PHE A 28 -5.919 7.958 -7.307 1.00 0.00 C ATOM 383 CG PHE A 28 -5.871 6.944 -8.452 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.945 6.148 -8.702 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.753 6.839 -9.220 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.900 5.208 -9.764 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.708 5.898 -10.283 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.783 5.102 -10.533 1.00 0.00 C ATOM 0 H PHE A 28 -5.035 8.508 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.628 7.492 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.486 8.831 -7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.906 8.298 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.832 6.231 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.900 7.471 -9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.753 4.576 -9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.821 5.814 -10.893 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.749 4.387 -11.341 1.00 0.00 H new ATOM 398 N ILE A 29 -5.087 5.692 -5.163 1.00 0.00 N ATOM 399 CA ILE A 29 -4.622 4.333 -4.945 1.00 0.00 C ATOM 400 C ILE A 29 -5.678 3.558 -4.153 1.00 0.00 C ATOM 401 O ILE A 29 -5.905 2.376 -4.406 1.00 0.00 O ATOM 402 CB ILE A 29 -3.241 4.338 -4.286 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.219 5.065 -5.162 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.793 2.917 -3.941 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.822 5.001 -4.542 1.00 0.00 C ATOM 0 H ILE A 29 -4.513 6.414 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.494 3.817 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.312 4.889 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.201 4.616 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.518 6.106 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.809 2.949 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.507 2.468 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.743 2.320 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.114 5.525 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.838 5.472 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.517 3.960 -4.440 1.00 0.00 H new ATOM 417 N ILE A 30 -6.295 4.256 -3.210 1.00 0.00 N ATOM 418 CA ILE A 30 -7.321 3.648 -2.380 1.00 0.00 C ATOM 419 C ILE A 30 -8.444 3.115 -3.273 1.00 0.00 C ATOM 420 O ILE A 30 -8.701 1.913 -3.301 1.00 0.00 O ATOM 421 CB ILE A 30 -7.799 4.634 -1.313 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.617 5.355 -0.662 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.684 3.935 -0.278 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.690 6.863 -0.912 1.00 0.00 C ATOM 0 H ILE A 30 -6.104 5.236 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.915 2.796 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.410 5.394 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.613 5.160 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.682 4.961 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.010 4.658 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.555 3.507 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.117 3.141 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.838 7.352 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.669 7.055 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.615 7.257 -0.491 1.00 0.00 H new ATOM 436 N GLY A 31 -9.082 4.036 -3.980 1.00 0.00 N ATOM 437 CA GLY A 31 -10.171 3.674 -4.871 1.00 0.00 C ATOM 438 C GLY A 31 -11.520 3.780 -4.159 1.00 0.00 C ATOM 439 O GLY A 31 -11.576 4.089 -2.969 1.00 0.00 O ATOM 0 H GLY A 31 -8.866 5.032 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.164 4.327 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.026 2.656 -5.233 1.00 0.00 H new ATOM 481 N GLU A 35 -11.210 -0.234 -2.999 1.00 0.00 N ATOM 482 CA GLU A 35 -11.186 -1.441 -3.807 1.00 0.00 C ATOM 483 C GLU A 35 -9.932 -1.467 -4.684 1.00 0.00 C ATOM 484 O GLU A 35 -9.405 -2.537 -4.988 1.00 0.00 O ATOM 485 CB GLU A 35 -12.452 -1.557 -4.658 1.00 0.00 C ATOM 486 CG GLU A 35 -12.671 -2.998 -5.123 1.00 0.00 C ATOM 487 CD GLU A 35 -13.894 -3.101 -6.036 1.00 0.00 C ATOM 488 OE1 GLU A 35 -15.014 -2.942 -5.504 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.682 -3.335 -7.245 1.00 0.00 O ATOM 0 HA GLU A 35 -11.157 -2.302 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.314 -1.223 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.374 -0.900 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.786 -3.351 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.804 -3.647 -4.257 1.00 0.00 H new ATOM 496 N GLN A 36 -9.491 -0.278 -5.066 1.00 0.00 N ATOM 497 CA GLN A 36 -8.309 -0.151 -5.902 1.00 0.00 C ATOM 498 C GLN A 36 -7.090 -0.740 -5.190 1.00 0.00 C ATOM 499 O GLN A 36 -6.261 -1.402 -5.813 1.00 0.00 O ATOM 500 CB GLN A 36 -8.066 1.308 -6.290 1.00 0.00 C ATOM 501 CG GLN A 36 -6.794 1.448 -7.129 1.00 0.00 C ATOM 502 CD GLN A 36 -7.132 1.670 -8.605 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.283 1.672 -9.011 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.069 1.857 -9.381 1.00 0.00 N ATOM 0 H GLN A 36 -9.931 0.607 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.475 -0.713 -6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.920 1.686 -6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.982 1.918 -5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.200 2.284 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.184 0.551 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.133 1.843 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.189 2.014 -10.382 1.00 0.00 H new ATOM 513 N ILE A 37 -7.018 -0.478 -3.893 1.00 0.00 N ATOM 514 CA ILE A 37 -5.914 -0.973 -3.089 1.00 0.00 C ATOM 515 C ILE A 37 -6.136 -2.456 -2.783 1.00 0.00 C ATOM 516 O ILE A 37 -5.223 -3.267 -2.927 1.00 0.00 O ATOM 517 CB ILE A 37 -5.729 -0.108 -1.841 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.360 -0.351 -1.202 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.872 -0.329 -0.847 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.374 0.754 -1.583 1.00 0.00 C ATOM 0 H ILE A 37 -7.707 0.071 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.977 -0.898 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.762 0.939 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.463 -0.393 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.971 -1.317 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.717 0.298 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.819 -0.066 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.895 -1.376 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.409 0.557 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.255 0.778 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.754 1.716 -1.239 1.00 0.00 H new ATOM 532 N SER A 38 -7.356 -2.764 -2.365 1.00 0.00 N ATOM 533 CA SER A 38 -7.710 -4.135 -2.038 1.00 0.00 C ATOM 534 C SER A 38 -7.123 -5.090 -3.079 1.00 0.00 C ATOM 535 O SER A 38 -6.584 -6.139 -2.730 1.00 0.00 O ATOM 536 CB SER A 38 -9.228 -4.307 -1.955 1.00 0.00 C ATOM 537 OG SER A 38 -9.596 -5.632 -1.581 1.00 0.00 O ATOM 0 H SER A 38 -8.111 -2.088 -2.246 1.00 0.00 H new ATOM 0 HA SER A 38 -7.291 -4.372 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.634 -3.600 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.673 -4.066 -2.920 1.00 0.00 H new ATOM 0 HG SER A 38 -10.573 -5.700 -1.538 1.00 0.00 H new ATOM 543 N ARG A 39 -7.249 -4.694 -4.337 1.00 0.00 N ATOM 544 CA ARG A 39 -6.738 -5.502 -5.431 1.00 0.00 C ATOM 545 C ARG A 39 -5.218 -5.634 -5.328 1.00 0.00 C ATOM 546 O ARG A 39 -4.669 -6.714 -5.542 1.00 0.00 O ATOM 547 CB ARG A 39 -7.099 -4.887 -6.785 1.00 0.00 C ATOM 548 CG ARG A 39 -7.932 -5.859 -7.624 1.00 0.00 C ATOM 549 CD ARG A 39 -9.301 -5.262 -7.956 1.00 0.00 C ATOM 550 NE ARG A 39 -10.361 -5.987 -7.220 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.739 -7.244 -7.492 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.147 -7.922 -8.484 1.00 0.00 N ATOM 553 NH2 ARG A 39 -11.710 -7.822 -6.772 1.00 0.00 N ATOM 0 H ARG A 39 -7.698 -3.824 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.198 -6.488 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.657 -3.963 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.188 -4.624 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.401 -6.096 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.061 -6.795 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.320 -4.205 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.484 -5.324 -9.029 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.833 -5.500 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.408 -7.482 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.435 -8.878 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.161 -7.306 -6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.998 -8.778 -6.979 1.00 0.00 H new ATOM 567 N ILE A 40 -4.579 -4.520 -5.000 1.00 0.00 N ATOM 568 CA ILE A 40 -3.133 -4.499 -4.866 1.00 0.00 C ATOM 569 C ILE A 40 -2.719 -5.398 -3.699 1.00 0.00 C ATOM 570 O ILE A 40 -1.728 -6.121 -3.789 1.00 0.00 O ATOM 571 CB ILE A 40 -2.628 -3.060 -4.742 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.158 -2.192 -5.886 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.101 -3.020 -4.653 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.742 -0.731 -5.704 1.00 0.00 C ATOM 0 H ILE A 40 -5.037 -3.626 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.662 -4.903 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.016 -2.641 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.779 -2.566 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.245 -2.262 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.769 -1.986 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.773 -3.582 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.672 -3.464 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.131 -0.136 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.143 -0.353 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.654 -0.662 -5.688 1.00 0.00 H new ATOM 586 N GLN A 41 -3.500 -5.324 -2.631 1.00 0.00 N ATOM 587 CA GLN A 41 -3.227 -6.122 -1.448 1.00 0.00 C ATOM 588 C GLN A 41 -3.483 -7.603 -1.737 1.00 0.00 C ATOM 589 O GLN A 41 -2.775 -8.470 -1.228 1.00 0.00 O ATOM 590 CB GLN A 41 -4.062 -5.643 -0.259 1.00 0.00 C ATOM 591 CG GLN A 41 -3.519 -4.324 0.295 1.00 0.00 C ATOM 592 CD GLN A 41 -4.294 -3.893 1.542 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.155 -4.455 2.616 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.116 -2.867 1.341 1.00 0.00 N ATOM 0 H GLN A 41 -4.322 -4.724 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.176 -5.999 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.099 -5.513 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.055 -6.401 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.463 -4.435 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.590 -3.548 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.185 -2.442 0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.678 -2.505 2.112 1.00 0.00 H new ATOM 603 N GLN A 42 -4.499 -7.847 -2.552 1.00 0.00 N ATOM 604 CA GLN A 42 -4.858 -9.208 -2.914 1.00 0.00 C ATOM 605 C GLN A 42 -3.908 -9.738 -3.991 1.00 0.00 C ATOM 606 O GLN A 42 -3.592 -10.927 -4.013 1.00 0.00 O ATOM 607 CB GLN A 42 -6.313 -9.286 -3.380 1.00 0.00 C ATOM 608 CG GLN A 42 -7.275 -9.143 -2.198 1.00 0.00 C ATOM 609 CD GLN A 42 -7.650 -10.512 -1.628 1.00 0.00 C ATOM 610 OE1 GLN A 42 -6.955 -11.499 -1.806 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.783 -10.516 -0.932 1.00 0.00 N ATOM 0 H GLN A 42 -5.085 -7.125 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.761 -9.837 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.508 -8.500 -4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.487 -10.237 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.813 -8.535 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.176 -8.619 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.317 -9.654 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.118 -11.381 -0.509 1.00 0.00 H new ATOM 620 N GLU A 43 -3.481 -8.831 -4.857 1.00 0.00 N ATOM 621 CA GLU A 43 -2.575 -9.193 -5.933 1.00 0.00 C ATOM 622 C GLU A 43 -1.205 -9.574 -5.368 1.00 0.00 C ATOM 623 O GLU A 43 -0.626 -10.585 -5.762 1.00 0.00 O ATOM 624 CB GLU A 43 -2.452 -8.058 -6.951 1.00 0.00 C ATOM 625 CG GLU A 43 -3.322 -8.327 -8.180 1.00 0.00 C ATOM 626 CD GLU A 43 -2.622 -9.281 -9.150 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.607 -8.848 -9.738 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.117 -10.421 -9.282 1.00 0.00 O ATOM 0 H GLU A 43 -3.746 -7.846 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.986 -10.059 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.750 -7.117 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.411 -7.949 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.275 -8.754 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.544 -7.387 -8.685 1.00 0.00 H new ATOM 635 N SER A 44 -0.726 -8.743 -4.453 1.00 0.00 N ATOM 636 CA SER A 44 0.565 -8.980 -3.830 1.00 0.00 C ATOM 637 C SER A 44 0.386 -9.802 -2.552 1.00 0.00 C ATOM 638 O SER A 44 1.348 -10.364 -2.031 1.00 0.00 O ATOM 639 CB SER A 44 1.276 -7.662 -3.519 1.00 0.00 C ATOM 640 OG SER A 44 1.290 -7.380 -2.122 1.00 0.00 O ATOM 0 H SER A 44 -1.209 -7.905 -4.129 1.00 0.00 H new ATOM 0 HA SER A 44 1.186 -9.540 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.300 -7.706 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.780 -6.849 -4.048 1.00 0.00 H new ATOM 0 HG SER A 44 0.456 -6.932 -1.870 1.00 0.00 H new ATOM 646 N GLY A 45 -0.852 -9.845 -2.083 1.00 0.00 N ATOM 647 CA GLY A 45 -1.170 -10.589 -0.876 1.00 0.00 C ATOM 648 C GLY A 45 -0.433 -10.010 0.334 1.00 0.00 C ATOM 649 O GLY A 45 0.000 -10.751 1.215 1.00 0.00 O ATOM 0 H GLY A 45 -1.647 -9.377 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.245 -10.561 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.896 -11.636 -1.007 1.00 0.00 H new ATOM 653 N CYS A 46 -0.313 -8.690 0.338 1.00 0.00 N ATOM 654 CA CYS A 46 0.363 -8.004 1.425 1.00 0.00 C ATOM 655 C CYS A 46 -0.601 -6.973 2.017 1.00 0.00 C ATOM 656 O CYS A 46 -1.548 -6.552 1.354 1.00 0.00 O ATOM 657 CB CYS A 46 1.671 -7.360 0.961 1.00 0.00 C ATOM 658 SG CYS A 46 3.021 -7.777 2.124 1.00 0.00 S ATOM 0 H CYS A 46 -0.673 -8.078 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 46 0.641 -8.724 2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.922 -7.709 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.552 -6.278 0.902 1.00 0.00 H new ATOM 0 HG CYS A 46 2.578 -7.711 3.344 1.00 0.00 H new ATOM 664 N LYS A 47 -0.327 -6.597 3.257 1.00 0.00 N ATOM 665 CA LYS A 47 -1.158 -5.624 3.945 1.00 0.00 C ATOM 666 C LYS A 47 -0.630 -4.217 3.660 1.00 0.00 C ATOM 667 O LYS A 47 0.580 -4.005 3.596 1.00 0.00 O ATOM 668 CB LYS A 47 -1.251 -5.957 5.436 1.00 0.00 C ATOM 669 CG LYS A 47 -2.511 -5.351 6.056 1.00 0.00 C ATOM 670 CD LYS A 47 -2.317 -5.093 7.551 1.00 0.00 C ATOM 671 CE LYS A 47 -3.637 -4.693 8.214 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.855 -5.480 9.449 1.00 0.00 N ATOM 0 H LYS A 47 0.459 -6.949 3.803 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.181 -5.663 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.259 -7.039 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.369 -5.578 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.756 -4.417 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.355 -6.025 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.922 -5.989 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.580 -4.303 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.624 -3.629 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.463 -4.855 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.755 -5.197 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.888 -6.493 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.076 -5.304 10.115 1.00 0.00 H new ATOM 686 N ILE A 48 -1.563 -3.290 3.498 1.00 0.00 N ATOM 687 CA ILE A 48 -1.207 -1.909 3.222 1.00 0.00 C ATOM 688 C ILE A 48 -2.027 -0.985 4.125 1.00 0.00 C ATOM 689 O ILE A 48 -3.199 -0.727 3.855 1.00 0.00 O ATOM 690 CB ILE A 48 -1.358 -1.605 1.731 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.378 -2.434 0.899 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.214 -0.106 1.460 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.878 -2.598 -0.537 1.00 0.00 C ATOM 0 H ILE A 48 -2.566 -3.469 3.553 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.157 -1.732 3.455 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.364 -1.893 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.599 -1.951 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.247 -3.415 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.325 0.083 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.984 0.438 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.230 0.230 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.162 -3.191 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.844 -3.103 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.985 -1.617 -0.999 1.00 0.00 H new ATOM 705 N GLN A 49 -1.379 -0.512 5.179 1.00 0.00 N ATOM 706 CA GLN A 49 -2.033 0.378 6.123 1.00 0.00 C ATOM 707 C GLN A 49 -1.689 1.835 5.806 1.00 0.00 C ATOM 708 O GLN A 49 -0.615 2.315 6.164 1.00 0.00 O ATOM 709 CB GLN A 49 -1.653 0.026 7.562 1.00 0.00 C ATOM 710 CG GLN A 49 -2.237 -1.328 7.968 1.00 0.00 C ATOM 711 CD GLN A 49 -1.680 -1.784 9.319 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.682 -2.481 9.404 1.00 0.00 O ATOM 713 NE2 GLN A 49 -2.377 -1.352 10.365 1.00 0.00 N ATOM 0 H GLN A 49 -0.407 -0.728 5.400 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.111 0.250 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.568 0.002 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.017 0.800 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.323 -1.257 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.005 -2.071 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.203 -0.771 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.086 -1.601 11.310 1.00 0.00 H new ATOM 722 N ILE A 50 -2.621 2.497 5.136 1.00 0.00 N ATOM 723 CA ILE A 50 -2.430 3.889 4.767 1.00 0.00 C ATOM 724 C ILE A 50 -3.153 4.784 5.775 1.00 0.00 C ATOM 725 O ILE A 50 -4.341 4.597 6.036 1.00 0.00 O ATOM 726 CB ILE A 50 -2.861 4.123 3.317 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.494 2.927 2.436 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.283 5.432 2.777 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.827 3.204 0.969 1.00 0.00 C ATOM 0 H ILE A 50 -3.510 2.095 4.839 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.373 4.152 4.808 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.947 4.218 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.431 2.710 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.034 2.042 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.605 5.574 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.637 6.264 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.194 5.392 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.556 2.338 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.895 3.397 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.267 4.074 0.627 1.00 0.00 H new ATOM 741 N ALA A 51 -2.407 5.737 6.314 1.00 0.00 N ATOM 742 CA ALA A 51 -2.962 6.661 7.288 1.00 0.00 C ATOM 743 C ALA A 51 -4.024 7.531 6.612 1.00 0.00 C ATOM 744 O ALA A 51 -3.982 7.738 5.400 1.00 0.00 O ATOM 745 CB ALA A 51 -1.835 7.491 7.905 1.00 0.00 C ATOM 0 H ALA A 51 -1.423 5.889 6.095 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.448 6.118 8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.252 8.184 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.123 6.829 8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.326 8.052 7.122 1.00 0.00 H new ATOM 821 N PRO A 58 3.989 15.871 1.569 1.00 0.00 N ATOM 822 CA PRO A 58 3.936 15.618 0.139 1.00 0.00 C ATOM 823 C PRO A 58 3.893 14.116 -0.150 1.00 0.00 C ATOM 824 O PRO A 58 3.644 13.705 -1.282 1.00 0.00 O ATOM 825 CB PRO A 58 5.173 16.296 -0.427 1.00 0.00 C ATOM 826 CG PRO A 58 6.110 16.504 0.751 1.00 0.00 C ATOM 827 CD PRO A 58 5.312 16.284 2.026 1.00 0.00 C ATOM 0 HA PRO A 58 3.033 16.015 -0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.641 15.678 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.918 17.246 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.948 15.808 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.530 17.510 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.771 15.520 2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.258 17.195 2.622 1.00 0.00 H new ATOM 835 N GLU A 59 4.139 13.337 0.894 1.00 0.00 N ATOM 836 CA GLU A 59 4.132 11.890 0.766 1.00 0.00 C ATOM 837 C GLU A 59 3.388 11.257 1.944 1.00 0.00 C ATOM 838 O GLU A 59 3.546 11.687 3.086 1.00 0.00 O ATOM 839 CB GLU A 59 5.556 11.342 0.659 1.00 0.00 C ATOM 840 CG GLU A 59 6.301 11.977 -0.517 1.00 0.00 C ATOM 841 CD GLU A 59 7.391 12.932 -0.025 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.252 13.407 1.122 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.337 13.164 -0.808 1.00 0.00 O ATOM 0 H GLU A 59 4.344 13.681 1.832 1.00 0.00 H new ATOM 0 HA GLU A 59 3.608 11.629 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.096 11.539 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.524 10.260 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.747 11.197 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.597 12.518 -1.149 1.00 0.00 H new ATOM 850 N ARG A 60 2.594 10.245 1.626 1.00 0.00 N ATOM 851 CA ARG A 60 1.826 9.549 2.644 1.00 0.00 C ATOM 852 C ARG A 60 2.467 8.196 2.960 1.00 0.00 C ATOM 853 O ARG A 60 2.672 7.378 2.065 1.00 0.00 O ATOM 854 CB ARG A 60 0.382 9.327 2.189 1.00 0.00 C ATOM 855 CG ARG A 60 -0.334 8.331 3.103 1.00 0.00 C ATOM 856 CD ARG A 60 -1.640 8.920 3.640 1.00 0.00 C ATOM 857 NE ARG A 60 -2.727 8.723 2.655 1.00 0.00 N ATOM 858 CZ ARG A 60 -3.984 9.153 2.827 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.321 9.808 3.947 1.00 0.00 N ATOM 860 NH2 ARG A 60 -4.905 8.929 1.880 1.00 0.00 N ATOM 0 H ARG A 60 2.466 9.891 0.678 1.00 0.00 H new ATOM 0 HA ARG A 60 1.822 10.171 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.153 10.276 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.373 8.957 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.544 7.413 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.317 8.062 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.903 8.443 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.512 9.983 3.845 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.505 8.229 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.620 9.979 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.278 10.135 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.649 8.431 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.862 9.257 2.012 1.00 0.00 H new ATOM 874 N SER A 61 2.765 8.002 4.237 1.00 0.00 N ATOM 875 CA SER A 61 3.378 6.763 4.682 1.00 0.00 C ATOM 876 C SER A 61 2.352 5.628 4.645 1.00 0.00 C ATOM 877 O SER A 61 1.196 5.820 5.021 1.00 0.00 O ATOM 878 CB SER A 61 3.957 6.910 6.091 1.00 0.00 C ATOM 879 OG SER A 61 4.733 5.776 6.470 1.00 0.00 O ATOM 0 H SER A 61 2.593 8.683 4.977 1.00 0.00 H new ATOM 0 HA SER A 61 4.198 6.525 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.577 7.805 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.145 7.048 6.804 1.00 0.00 H new ATOM 0 HG SER A 61 5.086 5.909 7.374 1.00 0.00 H new ATOM 885 N CYS A 62 2.812 4.472 4.190 1.00 0.00 N ATOM 886 CA CYS A 62 1.948 3.307 4.099 1.00 0.00 C ATOM 887 C CYS A 62 2.669 2.124 4.748 1.00 0.00 C ATOM 888 O CYS A 62 3.619 1.585 4.182 1.00 0.00 O ATOM 889 CB CYS A 62 1.550 3.009 2.652 1.00 0.00 C ATOM 890 SG CYS A 62 0.503 4.361 2.000 1.00 0.00 S ATOM 0 H CYS A 62 3.771 4.317 3.880 1.00 0.00 H new ATOM 0 HA CYS A 62 1.016 3.500 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.442 2.900 2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.010 2.063 2.602 1.00 0.00 H new ATOM 0 HG CYS A 62 0.172 4.099 0.770 1.00 0.00 H new ATOM 896 N MET A 63 2.189 1.754 5.927 1.00 0.00 N ATOM 897 CA MET A 63 2.776 0.644 6.659 1.00 0.00 C ATOM 898 C MET A 63 2.368 -0.695 6.042 1.00 0.00 C ATOM 899 O MET A 63 1.183 -1.021 5.983 1.00 0.00 O ATOM 900 CB MET A 63 2.318 0.696 8.118 1.00 0.00 C ATOM 901 CG MET A 63 2.906 1.913 8.834 1.00 0.00 C ATOM 902 SD MET A 63 3.900 1.385 10.219 1.00 0.00 S ATOM 903 CE MET A 63 5.485 1.217 9.417 1.00 0.00 C ATOM 0 H MET A 63 1.401 2.203 6.393 1.00 0.00 H new ATOM 0 HA MET A 63 3.861 0.731 6.607 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.230 0.736 8.160 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.624 -0.215 8.632 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.513 2.495 8.141 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.104 2.565 9.179 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.251 1.013 10.165 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.446 0.394 8.703 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.727 2.141 8.892 1.00 0.00 H new ATOM 913 N LEU A 64 3.373 -1.437 5.599 1.00 0.00 N ATOM 914 CA LEU A 64 3.134 -2.734 4.989 1.00 0.00 C ATOM 915 C LEU A 64 3.452 -3.835 6.003 1.00 0.00 C ATOM 916 O LEU A 64 4.310 -3.660 6.866 1.00 0.00 O ATOM 917 CB LEU A 64 3.912 -2.861 3.678 1.00 0.00 C ATOM 918 CG LEU A 64 3.690 -1.745 2.655 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.925 -0.849 2.544 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.274 -2.319 1.299 1.00 0.00 C ATOM 0 H LEU A 64 4.355 -1.164 5.651 1.00 0.00 H new ATOM 0 HA LEU A 64 2.083 -2.841 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.976 -2.905 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.648 -3.811 3.213 1.00 0.00 H new ATOM 0 HG LEU A 64 2.869 -1.119 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.740 -0.064 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.135 -0.397 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.781 -1.446 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.123 -1.505 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.056 -2.982 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.346 -2.880 1.411 1.00 0.00 H new ATOM 932 N THR A 65 2.743 -4.946 5.864 1.00 0.00 N ATOM 933 CA THR A 65 2.938 -6.075 6.756 1.00 0.00 C ATOM 934 C THR A 65 2.769 -7.392 5.995 1.00 0.00 C ATOM 935 O THR A 65 1.776 -7.586 5.297 1.00 0.00 O ATOM 936 CB THR A 65 1.970 -5.923 7.931 1.00 0.00 C ATOM 937 OG1 THR A 65 2.235 -4.617 8.433 1.00 0.00 O ATOM 938 CG2 THR A 65 2.316 -6.849 9.099 1.00 0.00 C ATOM 0 H THR A 65 2.032 -5.088 5.146 1.00 0.00 H new ATOM 0 HA THR A 65 3.953 -6.094 7.153 1.00 0.00 H new ATOM 0 HB THR A 65 0.955 -6.130 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.671 -3.966 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.598 -6.701 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.278 -7.886 8.765 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.319 -6.621 9.459 1.00 0.00 H new ATOM 946 N GLY A 66 3.755 -8.262 6.157 1.00 0.00 N ATOM 947 CA GLY A 66 3.728 -9.555 5.494 1.00 0.00 C ATOM 948 C GLY A 66 5.138 -10.000 5.101 1.00 0.00 C ATOM 949 O GLY A 66 6.115 -9.618 5.744 1.00 0.00 O ATOM 0 H GLY A 66 4.577 -8.097 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.280 -10.297 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.100 -9.499 4.605 1.00 0.00 H new ATOM 953 N THR A 67 5.200 -10.800 4.047 1.00 0.00 N ATOM 954 CA THR A 67 6.474 -11.301 3.561 1.00 0.00 C ATOM 955 C THR A 67 7.206 -10.217 2.768 1.00 0.00 C ATOM 956 O THR A 67 6.603 -9.222 2.368 1.00 0.00 O ATOM 957 CB THR A 67 6.205 -12.570 2.750 1.00 0.00 C ATOM 958 OG1 THR A 67 5.017 -12.272 2.023 1.00 0.00 O ATOM 959 CG2 THR A 67 5.814 -13.757 3.633 1.00 0.00 C ATOM 0 H THR A 67 4.388 -11.114 3.516 1.00 0.00 H new ATOM 0 HA THR A 67 7.138 -11.560 4.386 1.00 0.00 H new ATOM 0 HB THR A 67 7.092 -12.825 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.682 -13.087 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.634 -14.632 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.621 -13.971 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.907 -13.515 4.188 1.00 0.00 H new ATOM 967 N PRO A 68 8.529 -10.451 2.559 1.00 0.00 N ATOM 968 CA PRO A 68 9.349 -9.506 1.821 1.00 0.00 C ATOM 969 C PRO A 68 9.063 -9.587 0.320 1.00 0.00 C ATOM 970 O PRO A 68 9.316 -8.634 -0.416 1.00 0.00 O ATOM 971 CB PRO A 68 10.782 -9.871 2.172 1.00 0.00 C ATOM 972 CG PRO A 68 10.730 -11.288 2.720 1.00 0.00 C ATOM 973 CD PRO A 68 9.276 -11.618 3.019 1.00 0.00 C ATOM 0 HA PRO A 68 9.139 -8.470 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.425 -9.815 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.191 -9.182 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.141 -11.993 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.334 -11.370 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.960 -12.521 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.121 -11.793 4.084 1.00 0.00 H new ATOM 981 N GLU A 69 8.538 -10.733 -0.089 1.00 0.00 N ATOM 982 CA GLU A 69 8.215 -10.950 -1.489 1.00 0.00 C ATOM 983 C GLU A 69 6.897 -10.258 -1.842 1.00 0.00 C ATOM 984 O GLU A 69 6.702 -9.831 -2.979 1.00 0.00 O ATOM 985 CB GLU A 69 8.153 -12.444 -1.811 1.00 0.00 C ATOM 986 CG GLU A 69 8.878 -12.753 -3.123 1.00 0.00 C ATOM 987 CD GLU A 69 9.963 -13.811 -2.914 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.583 -14.994 -2.777 1.00 0.00 O ATOM 989 OE2 GLU A 69 11.147 -13.413 -2.896 1.00 0.00 O ATOM 0 H GLU A 69 8.328 -11.521 0.524 1.00 0.00 H new ATOM 0 HA GLU A 69 9.007 -10.513 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.605 -13.014 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.113 -12.761 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.161 -13.104 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.326 -11.841 -3.519 1.00 0.00 H new ATOM 996 N SER A 70 6.027 -10.168 -0.847 1.00 0.00 N ATOM 997 CA SER A 70 4.733 -9.534 -1.039 1.00 0.00 C ATOM 998 C SER A 70 4.868 -8.017 -0.901 1.00 0.00 C ATOM 999 O SER A 70 4.232 -7.264 -1.638 1.00 0.00 O ATOM 1000 CB SER A 70 3.705 -10.069 -0.040 1.00 0.00 C ATOM 1001 OG SER A 70 3.448 -11.457 -0.230 1.00 0.00 O ATOM 0 H SER A 70 6.192 -10.523 0.095 1.00 0.00 H new ATOM 0 HA SER A 70 4.381 -9.771 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.066 -9.903 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.775 -9.511 -0.143 1.00 0.00 H new ATOM 0 HG SER A 70 3.773 -11.959 0.546 1.00 0.00 H new ATOM 1007 N VAL A 71 5.700 -7.612 0.047 1.00 0.00 N ATOM 1008 CA VAL A 71 5.927 -6.198 0.291 1.00 0.00 C ATOM 1009 C VAL A 71 6.447 -5.541 -0.989 1.00 0.00 C ATOM 1010 O VAL A 71 5.994 -4.461 -1.365 1.00 0.00 O ATOM 1011 CB VAL A 71 6.870 -6.016 1.482 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.378 -4.576 1.564 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.191 -6.434 2.788 1.00 0.00 C ATOM 0 H VAL A 71 6.226 -8.239 0.656 1.00 0.00 H new ATOM 0 HA VAL A 71 4.993 -5.702 0.555 1.00 0.00 H new ATOM 0 HB VAL A 71 7.731 -6.666 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.046 -4.474 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.918 -4.328 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.533 -3.898 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.883 -6.295 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.303 -5.822 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.902 -7.483 2.728 1.00 0.00 H new ATOM 1023 N GLN A 72 7.391 -6.220 -1.623 1.00 0.00 N ATOM 1024 CA GLN A 72 7.978 -5.716 -2.853 1.00 0.00 C ATOM 1025 C GLN A 72 6.936 -5.707 -3.974 1.00 0.00 C ATOM 1026 O GLN A 72 6.704 -4.676 -4.603 1.00 0.00 O ATOM 1027 CB GLN A 72 9.205 -6.538 -3.253 1.00 0.00 C ATOM 1028 CG GLN A 72 10.416 -5.635 -3.492 1.00 0.00 C ATOM 1029 CD GLN A 72 11.611 -6.443 -4.001 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.735 -7.633 -3.764 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.482 -5.732 -4.712 1.00 0.00 N ATOM 0 H GLN A 72 7.764 -7.115 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 72 8.308 -4.691 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.434 -7.260 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.987 -7.107 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.160 -4.862 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.684 -5.127 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.318 -4.738 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.314 -6.181 -5.096 1.00 0.00 H new ATOM 1040 N SER A 73 6.335 -6.868 -4.189 1.00 0.00 N ATOM 1041 CA SER A 73 5.323 -7.007 -5.222 1.00 0.00 C ATOM 1042 C SER A 73 4.296 -5.879 -5.104 1.00 0.00 C ATOM 1043 O SER A 73 4.061 -5.145 -6.063 1.00 0.00 O ATOM 1044 CB SER A 73 4.629 -8.367 -5.135 1.00 0.00 C ATOM 1045 OG SER A 73 5.452 -9.419 -5.631 1.00 0.00 O ATOM 0 H SER A 73 6.530 -7.721 -3.665 1.00 0.00 H new ATOM 0 HA SER A 73 5.815 -6.942 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.363 -8.573 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.699 -8.336 -5.702 1.00 0.00 H new ATOM 0 HG SER A 73 6.025 -9.754 -4.910 1.00 0.00 H new ATOM 1051 N ALA A 74 3.711 -5.776 -3.919 1.00 0.00 N ATOM 1052 CA ALA A 74 2.715 -4.750 -3.663 1.00 0.00 C ATOM 1053 C ALA A 74 3.288 -3.383 -4.043 1.00 0.00 C ATOM 1054 O ALA A 74 2.672 -2.637 -4.803 1.00 0.00 O ATOM 1055 CB ALA A 74 2.281 -4.814 -2.197 1.00 0.00 C ATOM 0 H ALA A 74 3.908 -6.386 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 74 1.827 -4.916 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.534 -4.044 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.854 -5.795 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.146 -4.649 -1.554 1.00 0.00 H new ATOM 1061 N LYS A 75 4.460 -3.096 -3.496 1.00 0.00 N ATOM 1062 CA LYS A 75 5.123 -1.831 -3.767 1.00 0.00 C ATOM 1063 C LYS A 75 5.050 -1.534 -5.266 1.00 0.00 C ATOM 1064 O LYS A 75 4.575 -0.473 -5.670 1.00 0.00 O ATOM 1065 CB LYS A 75 6.548 -1.844 -3.212 1.00 0.00 C ATOM 1066 CG LYS A 75 6.570 -1.395 -1.749 1.00 0.00 C ATOM 1067 CD LYS A 75 8.005 -1.305 -1.225 1.00 0.00 C ATOM 1068 CE LYS A 75 8.503 -2.673 -0.755 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.395 -2.526 0.417 1.00 0.00 N ATOM 0 H LYS A 75 4.968 -3.717 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 75 4.613 -1.015 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.965 -2.848 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.180 -1.186 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.083 -0.424 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.000 -2.097 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.659 -0.926 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.051 -0.594 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.654 -3.306 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.036 -3.170 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.737 -3.463 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.205 -1.925 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.870 -2.087 1.200 1.00 0.00 H new ATOM 1083 N ARG A 76 5.527 -2.489 -6.051 1.00 0.00 N ATOM 1084 CA ARG A 76 5.521 -2.343 -7.496 1.00 0.00 C ATOM 1085 C ARG A 76 4.148 -1.871 -7.977 1.00 0.00 C ATOM 1086 O ARG A 76 4.049 -0.913 -8.741 1.00 0.00 O ATOM 1087 CB ARG A 76 5.869 -3.664 -8.185 1.00 0.00 C ATOM 1088 CG ARG A 76 7.339 -4.028 -7.962 1.00 0.00 C ATOM 1089 CD ARG A 76 8.192 -3.627 -9.168 1.00 0.00 C ATOM 1090 NE ARG A 76 9.275 -4.615 -9.372 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.320 -4.426 -10.190 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.429 -3.285 -10.883 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.255 -5.378 -10.313 1.00 0.00 N ATOM 0 H ARG A 76 5.920 -3.367 -5.713 1.00 0.00 H new ATOM 0 HA ARG A 76 6.275 -1.601 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.231 -4.459 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.668 -3.585 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.710 -3.528 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.430 -5.100 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.569 -3.568 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.617 -2.636 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 76 9.223 -5.495 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.717 -2.561 -10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.224 -3.140 -11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.171 -6.246 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.050 -5.234 -10.935 1.00 0.00 H new ATOM 1107 N LEU A 77 3.122 -2.568 -7.510 1.00 0.00 N ATOM 1108 CA LEU A 77 1.758 -2.232 -7.882 1.00 0.00 C ATOM 1109 C LEU A 77 1.478 -0.773 -7.518 1.00 0.00 C ATOM 1110 O LEU A 77 0.935 -0.021 -8.325 1.00 0.00 O ATOM 1111 CB LEU A 77 0.773 -3.222 -7.257 1.00 0.00 C ATOM 1112 CG LEU A 77 0.693 -4.599 -7.921 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.266 -5.668 -6.914 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.223 -4.565 -9.145 1.00 0.00 C ATOM 0 H LEU A 77 3.208 -3.364 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 77 1.624 -2.322 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.043 -3.361 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.221 -2.774 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 77 1.689 -4.868 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.217 -6.637 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.991 -5.713 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.715 -5.417 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.262 -5.556 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.226 -4.265 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.165 -3.850 -9.870 1.00 0.00 H new ATOM 1126 N LEU A 78 1.862 -0.417 -6.301 1.00 0.00 N ATOM 1127 CA LEU A 78 1.659 0.939 -5.819 1.00 0.00 C ATOM 1128 C LEU A 78 2.374 1.919 -6.752 1.00 0.00 C ATOM 1129 O LEU A 78 1.729 2.684 -7.467 1.00 0.00 O ATOM 1130 CB LEU A 78 2.090 1.058 -4.356 1.00 0.00 C ATOM 1131 CG LEU A 78 1.377 0.131 -3.369 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.973 0.259 -1.967 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.133 0.381 -3.375 1.00 0.00 C ATOM 0 H LEU A 78 2.313 -1.044 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 78 0.600 1.195 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.161 0.865 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.934 2.088 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 78 1.535 -0.898 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.448 -0.411 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.030 -0.008 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.867 1.287 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.616 -0.291 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.332 1.414 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.528 0.198 -4.374 1.00 0.00 H new ATOM 1145 N ASP A 79 3.697 1.865 -6.714 1.00 0.00 N ATOM 1146 CA ASP A 79 4.507 2.738 -7.547 1.00 0.00 C ATOM 1147 C ASP A 79 3.871 2.845 -8.934 1.00 0.00 C ATOM 1148 O ASP A 79 3.720 3.942 -9.469 1.00 0.00 O ATOM 1149 CB ASP A 79 5.921 2.181 -7.717 1.00 0.00 C ATOM 1150 CG ASP A 79 7.034 3.232 -7.719 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.801 4.303 -8.320 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.091 2.940 -7.119 1.00 0.00 O ATOM 0 H ASP A 79 4.229 1.230 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 79 4.560 3.713 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.114 1.470 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.966 1.624 -8.653 1.00 0.00 H new ATOM 1157 N GLN A 80 3.516 1.690 -9.478 1.00 0.00 N ATOM 1158 CA GLN A 80 2.900 1.640 -10.793 1.00 0.00 C ATOM 1159 C GLN A 80 1.833 2.730 -10.922 1.00 0.00 C ATOM 1160 O GLN A 80 1.987 3.664 -11.707 1.00 0.00 O ATOM 1161 CB GLN A 80 2.306 0.257 -11.069 1.00 0.00 C ATOM 1162 CG GLN A 80 3.063 -0.450 -12.195 1.00 0.00 C ATOM 1163 CD GLN A 80 2.326 -0.300 -13.528 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.655 0.531 -14.359 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.314 -1.148 -13.685 1.00 0.00 N ATOM 0 H GLN A 80 3.643 0.782 -9.032 1.00 0.00 H new ATOM 0 HA GLN A 80 3.672 1.824 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.347 -0.348 -10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.255 0.356 -11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.067 -0.034 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.176 -1.507 -11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.092 -1.819 -12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.760 -1.128 -14.541 1.00 0.00 H new ATOM 1174 N ILE A 81 0.776 2.574 -10.138 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.315 3.533 -10.155 1.00 0.00 C ATOM 1176 C ILE A 81 0.258 4.950 -10.223 1.00 0.00 C ATOM 1177 O ILE A 81 -0.066 5.711 -11.134 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.248 3.303 -8.964 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.923 1.933 -9.052 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.267 4.438 -8.839 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.384 1.459 -7.672 1.00 0.00 C ATOM 0 H ILE A 81 0.652 1.798 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.930 3.395 -11.044 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.648 3.307 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.778 1.987 -9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.228 1.208 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.918 4.250 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.743 5.383 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.867 4.490 -9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.860 0.483 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.523 1.382 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.097 2.174 -7.261 1.00 0.00 H new ATOM 1193 N VAL A 82 1.099 5.262 -9.248 1.00 0.00 N ATOM 1194 CA VAL A 82 1.720 6.574 -9.186 1.00 0.00 C ATOM 1195 C VAL A 82 2.297 6.925 -10.559 1.00 0.00 C ATOM 1196 O VAL A 82 1.960 7.960 -11.132 1.00 0.00 O ATOM 1197 CB VAL A 82 2.767 6.605 -8.071 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.480 7.958 -8.027 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.137 6.272 -6.718 1.00 0.00 C ATOM 0 H VAL A 82 1.365 4.628 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 82 0.981 7.336 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 82 3.513 5.841 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.219 7.954 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.978 8.138 -8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.751 8.748 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.903 6.301 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.361 7.002 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.698 5.275 -6.757 1.00 0.00 H new