USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 570 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 43 SER OG : rot 18:sc=-0.000291! USER MOD Set 1.3: A 58 GLN : amide:sc= -0.313 K(o=-2.2,f=-3.3) USER MOD Set 1.4: A 62 TYR OH : rot 95:sc= -1.93 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -115:sc= -0.91 USER MOD Single : A 16 SER OG : rot 129:sc= 0.864 USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0598) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -96:sc= -0.206 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.68 USER MOD Single : A 46 THR OG1 : rot -127:sc= -0.809 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00118 K(o=-0.0012,f=-0.81) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 67.046 -2.564 13.980 1.00 0.00 N ATOM 138 CA LEU A 8 68.055 -1.571 13.481 1.00 0.00 C ATOM 139 C LEU A 8 69.219 -2.289 12.789 1.00 0.00 C ATOM 140 O LEU A 8 69.589 -3.387 13.161 1.00 0.00 O ATOM 141 CB LEU A 8 68.558 -0.843 14.732 1.00 0.00 C ATOM 142 CG LEU A 8 67.416 -0.041 15.359 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.778 0.324 16.799 1.00 0.00 C ATOM 144 CD2 LEU A 8 67.188 1.240 14.552 1.00 0.00 C ATOM 0 HA LEU A 8 67.621 -0.887 12.752 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.947 -1.564 15.452 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.381 -0.178 14.471 1.00 0.00 H new ATOM 0 HG LEU A 8 66.507 -0.642 15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.964 0.895 17.245 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.940 -0.587 17.375 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.688 0.924 16.804 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.374 1.811 14.999 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.098 1.840 14.557 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.929 0.982 13.525 1.00 0.00 H new ATOM 156 N GLY A 9 69.796 -1.671 11.786 1.00 0.00 N ATOM 157 CA GLY A 9 70.973 -2.284 11.093 1.00 0.00 C ATOM 158 C GLY A 9 70.542 -3.334 10.055 1.00 0.00 C ATOM 159 O GLY A 9 71.375 -3.906 9.376 1.00 0.00 O ATOM 0 H GLY A 9 69.502 -0.767 11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.552 -1.503 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.627 -2.749 11.830 1.00 0.00 H new ATOM 163 N SER A 10 69.257 -3.596 9.922 1.00 0.00 N ATOM 164 CA SER A 10 68.792 -4.629 8.935 1.00 0.00 C ATOM 165 C SER A 10 69.190 -4.226 7.511 1.00 0.00 C ATOM 166 O SER A 10 69.264 -3.054 7.191 1.00 0.00 O ATOM 167 CB SER A 10 67.268 -4.662 9.069 1.00 0.00 C ATOM 168 OG SER A 10 66.920 -5.165 10.352 1.00 0.00 O ATOM 0 H SER A 10 68.514 -3.140 10.453 1.00 0.00 H new ATOM 0 HA SER A 10 69.240 -5.604 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.858 -3.661 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.836 -5.291 8.290 1.00 0.00 H new ATOM 0 HG SER A 10 65.944 -5.186 10.442 1.00 0.00 H new ATOM 174 N LYS A 11 69.448 -5.191 6.661 1.00 0.00 N ATOM 175 CA LYS A 11 69.834 -4.869 5.250 1.00 0.00 C ATOM 176 C LYS A 11 68.584 -4.593 4.400 1.00 0.00 C ATOM 177 O LYS A 11 67.658 -5.386 4.363 1.00 0.00 O ATOM 178 CB LYS A 11 70.605 -6.102 4.739 1.00 0.00 C ATOM 179 CG LYS A 11 69.682 -7.326 4.635 1.00 0.00 C ATOM 180 CD LYS A 11 70.519 -8.570 4.331 1.00 0.00 C ATOM 181 CE LYS A 11 71.280 -8.994 5.589 1.00 0.00 C ATOM 182 NZ LYS A 11 71.770 -10.370 5.297 1.00 0.00 N ATOM 0 H LYS A 11 69.408 -6.186 6.882 1.00 0.00 H new ATOM 0 HA LYS A 11 70.448 -3.971 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.038 -5.885 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.433 -6.323 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.134 -7.462 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.942 -7.171 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 11 69.874 -9.381 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.220 -8.361 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.108 -8.316 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.632 -8.983 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.303 -10.730 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 70.960 -10.995 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 72.390 -10.348 4.462 1.00 0.00 H new ATOM 196 N ILE A 12 68.556 -3.472 3.720 1.00 0.00 N ATOM 197 CA ILE A 12 67.384 -3.140 2.851 1.00 0.00 C ATOM 198 C ILE A 12 67.848 -2.930 1.405 1.00 0.00 C ATOM 199 O ILE A 12 68.925 -2.411 1.158 1.00 0.00 O ATOM 200 CB ILE A 12 66.791 -1.846 3.433 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.343 -2.091 4.880 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.579 -1.409 2.601 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.976 -0.760 5.540 1.00 0.00 C ATOM 0 H ILE A 12 69.297 -2.771 3.730 1.00 0.00 H new ATOM 0 HA ILE A 12 66.644 -3.940 2.834 1.00 0.00 H new ATOM 0 HB ILE A 12 67.551 -1.065 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.486 -2.764 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.141 -2.578 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.163 -0.492 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.889 -1.231 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.822 -2.193 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.658 -0.939 6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.844 -0.101 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.163 -0.291 4.985 1.00 0.00 H new ATOM 215 N SER A 13 67.036 -3.332 0.458 1.00 0.00 N ATOM 216 CA SER A 13 67.354 -3.093 -0.980 1.00 0.00 C ATOM 217 C SER A 13 66.511 -1.927 -1.503 1.00 0.00 C ATOM 218 O SER A 13 65.333 -1.829 -1.216 1.00 0.00 O ATOM 219 CB SER A 13 66.981 -4.392 -1.692 1.00 0.00 C ATOM 220 OG SER A 13 67.347 -4.298 -3.062 1.00 0.00 O ATOM 0 H SER A 13 66.157 -3.821 0.625 1.00 0.00 H new ATOM 0 HA SER A 13 68.400 -2.835 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.490 -5.235 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.910 -4.575 -1.601 1.00 0.00 H new ATOM 0 HG SER A 13 66.541 -4.324 -3.618 1.00 0.00 H new ATOM 226 N LEU A 14 67.109 -1.051 -2.269 1.00 0.00 N ATOM 227 CA LEU A 14 66.419 0.214 -2.662 1.00 0.00 C ATOM 228 C LEU A 14 66.583 0.455 -4.167 1.00 0.00 C ATOM 229 O LEU A 14 67.685 0.515 -4.674 1.00 0.00 O ATOM 230 CB LEU A 14 67.135 1.299 -1.849 1.00 0.00 C ATOM 231 CG LEU A 14 66.208 2.499 -1.632 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.044 2.100 -0.723 1.00 0.00 C ATOM 233 CD2 LEU A 14 66.998 3.629 -0.968 1.00 0.00 C ATOM 0 H LEU A 14 68.052 -1.159 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 14 65.347 0.195 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.449 0.894 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.038 1.618 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 14 65.817 2.831 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.389 2.958 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.481 1.290 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.432 1.767 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.344 4.487 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.385 3.287 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.828 3.919 -1.612 1.00 0.00 H new ATOM 245 N ILE A 15 65.490 0.591 -4.882 1.00 0.00 N ATOM 246 CA ILE A 15 65.569 0.778 -6.367 1.00 0.00 C ATOM 247 C ILE A 15 65.304 2.250 -6.718 1.00 0.00 C ATOM 248 O ILE A 15 64.239 2.780 -6.433 1.00 0.00 O ATOM 249 CB ILE A 15 64.471 -0.129 -6.951 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.733 -1.588 -6.552 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.470 -0.024 -8.481 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.503 -2.439 -6.879 1.00 0.00 C ATOM 0 H ILE A 15 64.544 0.580 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 15 66.550 0.523 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 15 63.505 0.191 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.604 -1.970 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.958 -1.650 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.691 -0.668 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.279 1.008 -8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.440 -0.337 -8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.691 -3.474 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.642 -2.062 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.299 -2.387 -7.948 1.00 0.00 H new ATOM 264 N SER A 16 66.270 2.898 -7.330 1.00 0.00 N ATOM 265 CA SER A 16 66.149 4.362 -7.626 1.00 0.00 C ATOM 266 C SER A 16 65.607 4.606 -9.042 1.00 0.00 C ATOM 267 O SER A 16 65.717 3.760 -9.914 1.00 0.00 O ATOM 268 CB SER A 16 67.576 4.900 -7.513 1.00 0.00 C ATOM 269 OG SER A 16 68.040 4.720 -6.181 1.00 0.00 O ATOM 0 H SER A 16 67.143 2.471 -7.639 1.00 0.00 H new ATOM 0 HA SER A 16 65.455 4.852 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.230 4.379 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.601 5.957 -7.780 1.00 0.00 H new ATOM 0 HG SER A 16 68.908 4.266 -6.196 1.00 0.00 H new ATOM 275 N LYS A 17 65.041 5.777 -9.265 1.00 0.00 N ATOM 276 CA LYS A 17 64.302 6.074 -10.544 1.00 0.00 C ATOM 277 C LYS A 17 65.147 5.796 -11.799 1.00 0.00 C ATOM 278 O LYS A 17 64.620 5.730 -12.894 1.00 0.00 O ATOM 279 CB LYS A 17 63.969 7.568 -10.467 1.00 0.00 C ATOM 280 CG LYS A 17 62.967 7.929 -11.566 1.00 0.00 C ATOM 281 CD LYS A 17 62.683 9.431 -11.525 1.00 0.00 C ATOM 282 CE LYS A 17 61.566 9.768 -12.516 1.00 0.00 C ATOM 283 NZ LYS A 17 60.303 9.480 -11.784 1.00 0.00 N ATOM 0 H LYS A 17 65.061 6.552 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 17 63.423 5.436 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.553 7.808 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.877 8.160 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.365 7.650 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.042 7.369 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.392 9.729 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.585 9.989 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.614 10.812 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.645 9.164 -13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.617 9.046 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.498 8.827 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 59.910 10.366 -11.407 1.00 0.00 H new ATOM 297 N ALA A 18 66.442 5.633 -11.656 1.00 0.00 N ATOM 298 CA ALA A 18 67.302 5.349 -12.847 1.00 0.00 C ATOM 299 C ALA A 18 67.405 3.836 -13.086 1.00 0.00 C ATOM 300 O ALA A 18 68.316 3.371 -13.744 1.00 0.00 O ATOM 301 CB ALA A 18 68.675 5.927 -12.491 1.00 0.00 C ATOM 0 H ALA A 18 66.939 5.685 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 18 66.896 5.786 -13.759 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.366 5.759 -13.317 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.583 6.997 -12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 18 69.055 5.437 -11.595 1.00 0.00 H new ATOM 307 N ASP A 19 66.473 3.064 -12.555 1.00 0.00 N ATOM 308 CA ASP A 19 66.538 1.567 -12.663 1.00 0.00 C ATOM 309 C ASP A 19 67.872 1.061 -12.107 1.00 0.00 C ATOM 310 O ASP A 19 68.442 0.105 -12.600 1.00 0.00 O ATOM 311 CB ASP A 19 66.399 1.233 -14.158 1.00 0.00 C ATOM 312 CG ASP A 19 65.033 1.699 -14.667 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.058 1.508 -13.957 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.983 2.238 -15.761 1.00 0.00 O ATOM 0 H ASP A 19 65.662 3.416 -12.046 1.00 0.00 H new ATOM 0 HA ASP A 19 65.747 1.086 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.194 1.719 -14.724 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.508 0.159 -14.312 1.00 0.00 H new ATOM 319 N ILE A 20 68.363 1.708 -11.078 1.00 0.00 N ATOM 320 CA ILE A 20 69.650 1.270 -10.452 1.00 0.00 C ATOM 321 C ILE A 20 69.352 0.570 -9.127 1.00 0.00 C ATOM 322 O ILE A 20 68.429 0.937 -8.424 1.00 0.00 O ATOM 323 CB ILE A 20 70.466 2.548 -10.201 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.611 3.350 -11.505 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.859 2.163 -9.682 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.304 4.688 -11.225 1.00 0.00 C ATOM 0 H ILE A 20 67.927 2.522 -10.644 1.00 0.00 H new ATOM 0 HA ILE A 20 70.196 0.576 -11.090 1.00 0.00 H new ATOM 0 HB ILE A 20 69.950 3.163 -9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.188 2.777 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.629 3.525 -11.945 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.443 3.066 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.759 1.604 -8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.366 1.545 -10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.402 5.249 -12.155 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.710 5.264 -10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.293 4.505 -10.806 1.00 0.00 H new ATOM 338 N ARG A 21 70.123 -0.430 -8.781 1.00 0.00 N ATOM 339 CA ARG A 21 69.881 -1.150 -7.498 1.00 0.00 C ATOM 340 C ARG A 21 70.944 -0.761 -6.466 1.00 0.00 C ATOM 341 O ARG A 21 72.129 -0.965 -6.669 1.00 0.00 O ATOM 342 CB ARG A 21 69.987 -2.635 -7.849 1.00 0.00 C ATOM 343 CG ARG A 21 69.536 -3.479 -6.655 1.00 0.00 C ATOM 344 CD ARG A 21 69.718 -4.964 -6.980 1.00 0.00 C ATOM 345 NE ARG A 21 69.146 -5.693 -5.806 1.00 0.00 N ATOM 346 CZ ARG A 21 67.842 -5.812 -5.633 1.00 0.00 C ATOM 347 NH1 ARG A 21 66.984 -5.282 -6.474 1.00 0.00 N ATOM 348 NH2 ARG A 21 67.395 -6.469 -4.597 1.00 0.00 N ATOM 0 H ARG A 21 70.908 -0.777 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 21 68.912 -0.905 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.369 -2.858 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.014 -2.884 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.116 -3.216 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.491 -3.272 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.200 -5.232 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.770 -5.210 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 21 69.779 -6.108 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 21 67.319 -4.763 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 21 65.982 -5.390 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.050 -6.882 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 21 66.390 -6.569 -4.451 1.00 0.00 H new ATOM 362 N TYR A 22 70.515 -0.201 -5.363 1.00 0.00 N ATOM 363 CA TYR A 22 71.449 0.111 -4.241 1.00 0.00 C ATOM 364 C TYR A 22 71.095 -0.764 -3.038 1.00 0.00 C ATOM 365 O TYR A 22 69.953 -1.141 -2.861 1.00 0.00 O ATOM 366 CB TYR A 22 71.194 1.581 -3.906 1.00 0.00 C ATOM 367 CG TYR A 22 71.620 2.552 -4.985 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.932 3.082 -4.977 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.706 2.938 -5.998 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.332 3.998 -5.980 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.107 3.856 -7.003 1.00 0.00 C ATOM 372 CZ TYR A 22 72.421 4.385 -6.993 1.00 0.00 C ATOM 373 OH TYR A 22 72.812 5.278 -7.969 1.00 0.00 O ATOM 0 H TYR A 22 69.543 0.056 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 22 72.492 -0.072 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.130 1.717 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.721 1.827 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.628 2.788 -4.206 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.705 2.533 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.333 4.402 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.411 4.151 -7.775 1.00 0.00 H new ATOM 0 HH TYR A 22 72.067 5.435 -8.586 1.00 0.00 H new ATOM 383 N GLU A 23 72.056 -1.091 -2.215 1.00 0.00 N ATOM 384 CA GLU A 23 71.744 -1.848 -0.963 1.00 0.00 C ATOM 385 C GLU A 23 72.611 -1.332 0.182 1.00 0.00 C ATOM 386 O GLU A 23 73.776 -1.042 -0.006 1.00 0.00 O ATOM 387 CB GLU A 23 72.086 -3.304 -1.280 1.00 0.00 C ATOM 388 CG GLU A 23 71.094 -3.848 -2.310 1.00 0.00 C ATOM 389 CD GLU A 23 71.188 -5.377 -2.361 1.00 0.00 C ATOM 390 OE1 GLU A 23 71.294 -5.981 -1.307 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.154 -5.915 -3.455 1.00 0.00 O ATOM 0 H GLU A 23 73.042 -0.868 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 23 70.704 -1.735 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 23 73.103 -3.374 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.048 -3.904 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.080 -3.545 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.308 -3.428 -3.293 1.00 0.00 H new ATOM 398 N GLY A 24 72.056 -1.222 1.363 1.00 0.00 N ATOM 399 CA GLY A 24 72.832 -0.636 2.499 1.00 0.00 C ATOM 400 C GLY A 24 72.136 -0.929 3.829 1.00 0.00 C ATOM 401 O GLY A 24 71.032 -1.440 3.862 1.00 0.00 O ATOM 0 H GLY A 24 71.104 -1.511 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.840 -1.050 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.931 0.441 2.363 1.00 0.00 H new ATOM 405 N ARG A 25 72.784 -0.605 4.924 1.00 0.00 N ATOM 406 CA ARG A 25 72.173 -0.853 6.269 1.00 0.00 C ATOM 407 C ARG A 25 71.242 0.301 6.658 1.00 0.00 C ATOM 408 O ARG A 25 71.552 1.457 6.438 1.00 0.00 O ATOM 409 CB ARG A 25 73.357 -0.926 7.238 1.00 0.00 C ATOM 410 CG ARG A 25 74.199 -2.165 6.928 1.00 0.00 C ATOM 411 CD ARG A 25 75.334 -2.282 7.951 1.00 0.00 C ATOM 412 NE ARG A 25 76.228 -3.368 7.431 1.00 0.00 N ATOM 413 CZ ARG A 25 77.120 -3.953 8.207 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.272 -3.610 9.466 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.874 -4.895 7.710 1.00 0.00 N ATOM 0 H ARG A 25 73.711 -0.179 4.944 1.00 0.00 H new ATOM 0 HA ARG A 25 71.573 -1.763 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.968 -0.028 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.997 -0.967 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.575 -3.058 6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.609 -2.096 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.875 -1.340 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.948 -2.531 8.940 1.00 0.00 H new ATOM 0 HE ARG A 25 76.145 -3.660 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.692 -2.873 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.970 -4.080 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.769 -5.170 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.568 -5.356 8.298 1.00 0.00 H new ATOM 429 N LEU A 26 70.103 -0.009 7.234 1.00 0.00 N ATOM 430 CA LEU A 26 69.184 1.071 7.725 1.00 0.00 C ATOM 431 C LEU A 26 69.824 1.840 8.886 1.00 0.00 C ATOM 432 O LEU A 26 70.105 1.279 9.929 1.00 0.00 O ATOM 433 CB LEU A 26 67.945 0.323 8.233 1.00 0.00 C ATOM 434 CG LEU A 26 66.846 1.328 8.597 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.176 1.850 7.321 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.800 0.640 9.479 1.00 0.00 C ATOM 0 H LEU A 26 69.770 -0.961 7.385 1.00 0.00 H new ATOM 0 HA LEU A 26 68.956 1.795 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.584 -0.364 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.204 -0.279 9.104 1.00 0.00 H new ATOM 0 HG LEU A 26 67.288 2.165 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.396 2.564 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.920 2.341 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.735 1.016 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 26 65.018 1.353 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.362 -0.198 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.275 0.275 10.389 1.00 0.00 H new ATOM 448 N TYR A 27 70.057 3.118 8.709 1.00 0.00 N ATOM 449 CA TYR A 27 70.636 3.938 9.815 1.00 0.00 C ATOM 450 C TYR A 27 69.537 4.735 10.521 1.00 0.00 C ATOM 451 O TYR A 27 69.430 4.713 11.734 1.00 0.00 O ATOM 452 CB TYR A 27 71.629 4.880 9.135 1.00 0.00 C ATOM 453 CG TYR A 27 72.462 5.674 10.114 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.210 5.004 11.113 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.493 7.087 10.033 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.988 5.749 12.033 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.272 7.831 10.954 1.00 0.00 C ATOM 458 CZ TYR A 27 74.020 7.162 11.953 1.00 0.00 C ATOM 459 OH TYR A 27 74.778 7.886 12.849 1.00 0.00 O ATOM 0 H TYR A 27 69.871 3.627 7.845 1.00 0.00 H new ATOM 0 HA TYR A 27 71.115 3.321 10.575 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.291 4.298 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.083 5.569 8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.187 3.926 11.173 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.924 7.597 9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.557 5.239 12.796 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.295 8.909 10.894 1.00 0.00 H new ATOM 0 HH TYR A 27 74.690 8.842 12.654 1.00 0.00 H new ATOM 469 N THR A 28 68.719 5.435 9.770 1.00 0.00 N ATOM 470 CA THR A 28 67.643 6.273 10.393 1.00 0.00 C ATOM 471 C THR A 28 66.480 6.459 9.414 1.00 0.00 C ATOM 472 O THR A 28 66.653 6.381 8.212 1.00 0.00 O ATOM 473 CB THR A 28 68.303 7.622 10.698 1.00 0.00 C ATOM 474 OG1 THR A 28 69.053 8.049 9.570 1.00 0.00 O ATOM 475 CG2 THR A 28 69.230 7.483 11.906 1.00 0.00 C ATOM 0 H THR A 28 68.750 5.462 8.751 1.00 0.00 H new ATOM 0 HA THR A 28 67.235 5.808 11.291 1.00 0.00 H new ATOM 0 HB THR A 28 67.531 8.358 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.992 7.794 9.686 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.697 8.445 12.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.653 7.160 12.772 1.00 0.00 H new ATOM 0 HG23 THR A 28 70.002 6.745 11.689 1.00 0.00 H new ATOM 483 N VAL A 29 65.297 6.704 9.926 1.00 0.00 N ATOM 484 CA VAL A 29 64.105 6.884 9.039 1.00 0.00 C ATOM 485 C VAL A 29 63.189 7.984 9.603 1.00 0.00 C ATOM 486 O VAL A 29 63.065 8.140 10.803 1.00 0.00 O ATOM 487 CB VAL A 29 63.408 5.511 9.020 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.924 5.136 10.429 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.209 5.549 8.064 1.00 0.00 C ATOM 0 H VAL A 29 65.106 6.787 10.924 1.00 0.00 H new ATOM 0 HA VAL A 29 64.373 7.200 8.031 1.00 0.00 H new ATOM 0 HB VAL A 29 64.124 4.763 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.434 4.163 10.398 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.777 5.091 11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.218 5.887 10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.720 4.575 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.501 6.307 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.553 5.792 7.059 1.00 0.00 H new ATOM 499 N ASP A 30 62.551 8.740 8.741 1.00 0.00 N ATOM 500 CA ASP A 30 61.598 9.791 9.209 1.00 0.00 C ATOM 501 C ASP A 30 60.258 9.635 8.470 1.00 0.00 C ATOM 502 O ASP A 30 60.127 10.098 7.351 1.00 0.00 O ATOM 503 CB ASP A 30 62.263 11.119 8.846 1.00 0.00 C ATOM 504 CG ASP A 30 61.755 12.217 9.783 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.582 12.537 9.706 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.550 12.717 10.563 1.00 0.00 O ATOM 0 H ASP A 30 62.652 8.672 7.728 1.00 0.00 H new ATOM 0 HA ASP A 30 61.389 9.725 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.346 11.030 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.041 11.378 7.811 1.00 0.00 H new ATOM 511 N PRO A 31 59.298 8.986 9.113 1.00 0.00 N ATOM 512 CA PRO A 31 57.992 8.707 8.450 1.00 0.00 C ATOM 513 C PRO A 31 57.301 10.010 8.028 1.00 0.00 C ATOM 514 O PRO A 31 56.732 10.100 6.956 1.00 0.00 O ATOM 515 CB PRO A 31 57.173 7.977 9.520 1.00 0.00 C ATOM 516 CG PRO A 31 58.167 7.509 10.534 1.00 0.00 C ATOM 517 CD PRO A 31 59.331 8.458 10.485 1.00 0.00 C ATOM 0 HA PRO A 31 58.106 8.119 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.436 8.641 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.626 7.138 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.724 7.495 11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.491 6.491 10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.229 9.254 11.222 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.271 7.948 10.695 1.00 0.00 H new ATOM 525 N GLN A 32 57.359 11.024 8.855 1.00 0.00 N ATOM 526 CA GLN A 32 56.535 12.247 8.600 1.00 0.00 C ATOM 527 C GLN A 32 57.217 13.133 7.552 1.00 0.00 C ATOM 528 O GLN A 32 56.562 13.874 6.841 1.00 0.00 O ATOM 529 CB GLN A 32 56.430 12.967 9.947 1.00 0.00 C ATOM 530 CG GLN A 32 55.423 14.114 9.839 1.00 0.00 C ATOM 531 CD GLN A 32 55.429 14.924 11.137 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.454 15.434 11.543 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.319 15.064 11.809 1.00 0.00 N ATOM 0 H GLN A 32 57.939 11.059 9.693 1.00 0.00 H new ATOM 0 HA GLN A 32 55.548 12.001 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 32 56.117 12.267 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.406 13.353 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.677 14.757 8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.425 13.719 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.459 14.636 11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.312 15.602 12.676 1.00 0.00 H new ATOM 542 N GLU A 33 58.522 13.064 7.452 1.00 0.00 N ATOM 543 CA GLU A 33 59.232 13.796 6.357 1.00 0.00 C ATOM 544 C GLU A 33 59.322 12.939 5.079 1.00 0.00 C ATOM 545 O GLU A 33 59.911 13.356 4.100 1.00 0.00 O ATOM 546 CB GLU A 33 60.632 14.079 6.908 1.00 0.00 C ATOM 547 CG GLU A 33 60.535 15.093 8.052 1.00 0.00 C ATOM 548 CD GLU A 33 61.938 15.558 8.443 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.646 14.783 9.064 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.282 16.682 8.114 1.00 0.00 O ATOM 0 H GLU A 33 59.125 12.533 8.080 1.00 0.00 H new ATOM 0 HA GLU A 33 58.704 14.708 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.088 13.155 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.274 14.467 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.930 15.946 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 60.038 14.642 8.911 1.00 0.00 H new ATOM 557 N CYS A 34 58.742 11.747 5.074 1.00 0.00 N ATOM 558 CA CYS A 34 58.835 10.839 3.875 1.00 0.00 C ATOM 559 C CYS A 34 60.290 10.685 3.398 1.00 0.00 C ATOM 560 O CYS A 34 60.562 10.669 2.209 1.00 0.00 O ATOM 561 CB CYS A 34 57.981 11.512 2.795 1.00 0.00 C ATOM 562 SG CYS A 34 56.229 11.218 3.140 1.00 0.00 S ATOM 0 H CYS A 34 58.207 11.367 5.855 1.00 0.00 H new ATOM 0 HA CYS A 34 58.486 9.833 4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.183 12.583 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.240 11.117 1.813 1.00 0.00 H new ATOM 0 HG CYS A 34 55.504 11.791 2.225 1.00 0.00 H new ATOM 568 N THR A 35 61.223 10.570 4.314 1.00 0.00 N ATOM 569 CA THR A 35 62.663 10.489 3.916 1.00 0.00 C ATOM 570 C THR A 35 63.377 9.398 4.712 1.00 0.00 C ATOM 571 O THR A 35 62.972 9.056 5.807 1.00 0.00 O ATOM 572 CB THR A 35 63.256 11.865 4.246 1.00 0.00 C ATOM 573 OG1 THR A 35 62.980 12.186 5.604 1.00 0.00 O ATOM 574 CG2 THR A 35 62.655 12.937 3.326 1.00 0.00 C ATOM 0 H THR A 35 61.049 10.529 5.318 1.00 0.00 H new ATOM 0 HA THR A 35 62.777 10.240 2.861 1.00 0.00 H new ATOM 0 HB THR A 35 64.334 11.835 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.360 13.064 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.084 13.909 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.879 12.692 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.575 12.972 3.466 1.00 0.00 H new ATOM 582 N ILE A 36 64.434 8.851 4.169 1.00 0.00 N ATOM 583 CA ILE A 36 65.230 7.830 4.917 1.00 0.00 C ATOM 584 C ILE A 36 66.724 8.021 4.635 1.00 0.00 C ATOM 585 O ILE A 36 67.101 8.656 3.669 1.00 0.00 O ATOM 586 CB ILE A 36 64.742 6.461 4.407 1.00 0.00 C ATOM 587 CG1 ILE A 36 64.925 6.360 2.883 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.260 6.283 4.751 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.728 4.910 2.437 1.00 0.00 C ATOM 0 H ILE A 36 64.782 9.068 3.235 1.00 0.00 H new ATOM 0 HA ILE A 36 65.096 7.916 5.995 1.00 0.00 H new ATOM 0 HB ILE A 36 65.330 5.679 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.209 7.007 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 36 65.920 6.705 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.916 5.314 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.129 6.334 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.679 7.074 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.858 4.841 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.462 4.274 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.724 4.581 2.703 1.00 0.00 H new ATOM 601 N ALA A 37 67.570 7.475 5.472 1.00 0.00 N ATOM 602 CA ALA A 37 69.039 7.549 5.215 1.00 0.00 C ATOM 603 C ALA A 37 69.682 6.192 5.502 1.00 0.00 C ATOM 604 O ALA A 37 69.486 5.616 6.559 1.00 0.00 O ATOM 605 CB ALA A 37 69.571 8.614 6.176 1.00 0.00 C ATOM 0 H ALA A 37 67.305 6.980 6.324 1.00 0.00 H new ATOM 0 HA ALA A 37 69.265 7.802 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.647 8.721 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.083 9.567 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.362 8.314 7.203 1.00 0.00 H new ATOM 611 N LEU A 38 70.444 5.684 4.567 1.00 0.00 N ATOM 612 CA LEU A 38 71.081 4.346 4.748 1.00 0.00 C ATOM 613 C LEU A 38 72.587 4.515 4.932 1.00 0.00 C ATOM 614 O LEU A 38 73.194 5.384 4.332 1.00 0.00 O ATOM 615 CB LEU A 38 70.783 3.579 3.456 1.00 0.00 C ATOM 616 CG LEU A 38 69.271 3.384 3.299 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.970 2.839 1.901 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.769 2.390 4.351 1.00 0.00 C ATOM 0 H LEU A 38 70.653 6.143 3.680 1.00 0.00 H new ATOM 0 HA LEU A 38 70.702 3.820 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.178 4.125 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.283 2.611 3.475 1.00 0.00 H new ATOM 0 HG LEU A 38 68.767 4.341 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.895 2.700 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.325 3.546 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.476 1.883 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.694 2.253 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.273 1.433 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.983 2.776 5.348 1.00 0.00 H new ATOM 630 N SER A 39 73.193 3.694 5.751 1.00 0.00 N ATOM 631 CA SER A 39 74.656 3.832 6.010 1.00 0.00 C ATOM 632 C SER A 39 75.376 2.593 5.488 1.00 0.00 C ATOM 633 O SER A 39 74.793 1.528 5.416 1.00 0.00 O ATOM 634 CB SER A 39 74.787 3.936 7.529 1.00 0.00 C ATOM 635 OG SER A 39 74.348 2.722 8.122 1.00 0.00 O ATOM 0 H SER A 39 72.736 2.932 6.252 1.00 0.00 H new ATOM 0 HA SER A 39 75.094 4.699 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.823 4.134 7.803 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.193 4.771 7.900 1.00 0.00 H new ATOM 0 HG SER A 39 74.432 2.785 9.096 1.00 0.00 H new ATOM 641 N SER A 40 76.633 2.725 5.125 1.00 0.00 N ATOM 642 CA SER A 40 77.366 1.612 4.429 1.00 0.00 C ATOM 643 C SER A 40 76.490 1.011 3.316 1.00 0.00 C ATOM 644 O SER A 40 75.794 0.030 3.513 1.00 0.00 O ATOM 645 CB SER A 40 77.696 0.581 5.519 1.00 0.00 C ATOM 646 OG SER A 40 76.532 -0.156 5.869 1.00 0.00 O ATOM 0 H SER A 40 77.189 3.565 5.283 1.00 0.00 H new ATOM 0 HA SER A 40 78.277 1.960 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.472 -0.098 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.093 1.087 6.399 1.00 0.00 H new ATOM 0 HG SER A 40 75.779 0.140 5.316 1.00 0.00 H new ATOM 652 N VAL A 41 76.519 1.619 2.156 1.00 0.00 N ATOM 653 CA VAL A 41 75.678 1.141 1.018 1.00 0.00 C ATOM 654 C VAL A 41 76.519 1.101 -0.268 1.00 0.00 C ATOM 655 O VAL A 41 77.437 1.883 -0.442 1.00 0.00 O ATOM 656 CB VAL A 41 74.521 2.155 0.922 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.065 3.546 0.586 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.525 1.722 -0.165 1.00 0.00 C ATOM 0 H VAL A 41 77.096 2.434 1.948 1.00 0.00 H new ATOM 0 HA VAL A 41 75.296 0.130 1.163 1.00 0.00 H new ATOM 0 HB VAL A 41 74.011 2.190 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.239 4.254 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.755 3.865 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.589 3.511 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.712 2.446 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.035 1.671 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.120 0.741 0.083 1.00 0.00 H new ATOM 668 N ARG A 42 76.208 0.198 -1.163 1.00 0.00 N ATOM 669 CA ARG A 42 76.963 0.106 -2.450 1.00 0.00 C ATOM 670 C ARG A 42 75.989 -0.053 -3.623 1.00 0.00 C ATOM 671 O ARG A 42 74.894 -0.559 -3.460 1.00 0.00 O ATOM 672 CB ARG A 42 77.869 -1.129 -2.309 1.00 0.00 C ATOM 673 CG ARG A 42 77.027 -2.390 -2.061 1.00 0.00 C ATOM 674 CD ARG A 42 77.955 -3.576 -1.773 1.00 0.00 C ATOM 675 NE ARG A 42 78.529 -3.311 -0.413 1.00 0.00 N ATOM 676 CZ ARG A 42 79.599 -3.950 0.017 1.00 0.00 C ATOM 677 NH1 ARG A 42 80.207 -4.852 -0.721 1.00 0.00 N ATOM 678 NH2 ARG A 42 80.064 -3.684 1.207 1.00 0.00 N ATOM 0 H ARG A 42 75.458 -0.485 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 42 77.549 1.004 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.465 -1.255 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.567 -0.983 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.352 -2.230 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.407 -2.603 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 42 77.406 -4.518 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.742 -3.651 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 42 78.082 -2.622 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.853 -5.073 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 42 81.033 -5.331 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 42 79.600 -2.989 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 80.891 -4.171 1.552 1.00 0.00 H new ATOM 692 N SER A 43 76.381 0.379 -4.796 1.00 0.00 N ATOM 693 CA SER A 43 75.509 0.212 -5.999 1.00 0.00 C ATOM 694 C SER A 43 76.098 -0.862 -6.916 1.00 0.00 C ATOM 695 O SER A 43 77.293 -0.900 -7.146 1.00 0.00 O ATOM 696 CB SER A 43 75.514 1.579 -6.685 1.00 0.00 C ATOM 697 OG SER A 43 76.798 1.822 -7.245 1.00 0.00 O ATOM 0 H SER A 43 77.272 0.843 -4.972 1.00 0.00 H new ATOM 0 HA SER A 43 74.497 -0.104 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.753 1.609 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.265 2.360 -5.966 1.00 0.00 H new ATOM 0 HG SER A 43 77.289 0.977 -7.317 1.00 0.00 H new ATOM 703 N PHE A 44 75.270 -1.735 -7.439 1.00 0.00 N ATOM 704 CA PHE A 44 75.806 -2.907 -8.202 1.00 0.00 C ATOM 705 C PHE A 44 76.127 -2.523 -9.649 1.00 0.00 C ATOM 706 O PHE A 44 77.111 -2.975 -10.207 1.00 0.00 O ATOM 707 CB PHE A 44 74.693 -3.955 -8.158 1.00 0.00 C ATOM 708 CG PHE A 44 74.612 -4.685 -6.839 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.355 -5.874 -6.640 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.798 -4.176 -5.798 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.283 -6.555 -5.400 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.726 -4.857 -4.559 1.00 0.00 C ATOM 713 CZ PHE A 44 74.468 -6.046 -4.360 1.00 0.00 C ATOM 0 H PHE A 44 74.253 -1.688 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 44 76.736 -3.277 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.738 -3.469 -8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.853 -4.679 -8.957 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.977 -6.262 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.232 -3.269 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.849 -7.462 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.105 -4.469 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.412 -6.565 -3.415 1.00 0.00 H new ATOM 723 N GLY A 45 75.311 -1.698 -10.262 1.00 0.00 N ATOM 724 CA GLY A 45 75.630 -1.220 -11.638 1.00 0.00 C ATOM 725 C GLY A 45 74.411 -0.537 -12.252 1.00 0.00 C ATOM 726 O GLY A 45 73.306 -0.647 -11.753 1.00 0.00 O ATOM 0 H GLY A 45 74.442 -1.338 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.468 -0.524 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.938 -2.060 -12.261 1.00 0.00 H new ATOM 730 N THR A 46 74.612 0.168 -13.335 1.00 0.00 N ATOM 731 CA THR A 46 73.461 0.741 -14.099 1.00 0.00 C ATOM 732 C THR A 46 73.409 0.167 -15.527 1.00 0.00 C ATOM 733 O THR A 46 72.381 0.212 -16.174 1.00 0.00 O ATOM 734 CB THR A 46 73.727 2.249 -14.140 1.00 0.00 C ATOM 735 OG1 THR A 46 75.015 2.485 -14.692 1.00 0.00 O ATOM 736 CG2 THR A 46 73.665 2.833 -12.723 1.00 0.00 C ATOM 0 H THR A 46 75.531 0.373 -13.727 1.00 0.00 H new ATOM 0 HA THR A 46 72.505 0.501 -13.633 1.00 0.00 H new ATOM 0 HB THR A 46 72.967 2.729 -14.757 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.532 3.055 -14.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.855 3.905 -12.763 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.677 2.655 -12.299 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.419 2.354 -12.099 1.00 0.00 H new ATOM 744 N GLU A 47 74.507 -0.375 -16.015 1.00 0.00 N ATOM 745 CA GLU A 47 74.633 -0.706 -17.476 1.00 0.00 C ATOM 746 C GLU A 47 73.472 -1.578 -17.977 1.00 0.00 C ATOM 747 O GLU A 47 73.139 -1.553 -19.149 1.00 0.00 O ATOM 748 CB GLU A 47 75.954 -1.471 -17.602 1.00 0.00 C ATOM 749 CG GLU A 47 77.123 -0.526 -17.308 1.00 0.00 C ATOM 750 CD GLU A 47 78.451 -1.254 -17.539 1.00 0.00 C ATOM 751 OE1 GLU A 47 78.525 -2.433 -17.227 1.00 0.00 O ATOM 752 OE2 GLU A 47 79.372 -0.620 -18.025 1.00 0.00 O ATOM 0 H GLU A 47 75.329 -0.604 -15.456 1.00 0.00 H new ATOM 0 HA GLU A 47 74.609 0.201 -18.080 1.00 0.00 H new ATOM 0 HB2 GLU A 47 75.968 -2.311 -16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 76.052 -1.886 -18.605 1.00 0.00 H new ATOM 0 HG2 GLU A 47 77.063 0.352 -17.951 1.00 0.00 H new ATOM 0 HG3 GLU A 47 77.066 -0.172 -16.279 1.00 0.00 H new ATOM 759 N ASP A 48 72.860 -2.346 -17.111 1.00 0.00 N ATOM 760 CA ASP A 48 71.781 -3.280 -17.570 1.00 0.00 C ATOM 761 C ASP A 48 70.527 -2.500 -17.982 1.00 0.00 C ATOM 762 O ASP A 48 70.081 -2.585 -19.112 1.00 0.00 O ATOM 763 CB ASP A 48 71.479 -4.179 -16.367 1.00 0.00 C ATOM 764 CG ASP A 48 72.696 -5.055 -16.057 1.00 0.00 C ATOM 765 OD1 ASP A 48 73.294 -5.559 -16.995 1.00 0.00 O ATOM 766 OD2 ASP A 48 73.009 -5.207 -14.888 1.00 0.00 O ATOM 0 H ASP A 48 73.058 -2.369 -16.111 1.00 0.00 H new ATOM 0 HA ASP A 48 72.093 -3.857 -18.441 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.228 -3.569 -15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.612 -4.806 -16.578 1.00 0.00 H new ATOM 771 N ARG A 49 69.959 -1.743 -17.074 1.00 0.00 N ATOM 772 CA ARG A 49 68.677 -1.026 -17.375 1.00 0.00 C ATOM 773 C ARG A 49 68.929 0.413 -17.862 1.00 0.00 C ATOM 774 O ARG A 49 68.050 1.037 -18.427 1.00 0.00 O ATOM 775 CB ARG A 49 67.907 -1.018 -16.053 1.00 0.00 C ATOM 776 CG ARG A 49 67.535 -2.453 -15.668 1.00 0.00 C ATOM 777 CD ARG A 49 66.626 -2.436 -14.436 1.00 0.00 C ATOM 778 NE ARG A 49 65.282 -2.017 -14.946 1.00 0.00 N ATOM 779 CZ ARG A 49 64.504 -2.851 -15.612 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.878 -4.083 -15.871 1.00 0.00 N ATOM 781 NH2 ARG A 49 63.337 -2.439 -16.025 1.00 0.00 N ATOM 0 H ARG A 49 70.328 -1.590 -16.135 1.00 0.00 H new ATOM 0 HA ARG A 49 68.126 -1.520 -18.176 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.515 -0.566 -15.269 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.007 -0.411 -16.148 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.028 -2.943 -16.499 1.00 0.00 H new ATOM 0 HG3 ARG A 49 68.436 -3.029 -15.459 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.580 -3.419 -13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.996 -1.740 -13.683 1.00 0.00 H new ATOM 0 HE ARG A 49 64.960 -1.065 -14.775 1.00 0.00 H new ATOM 0 HH11 ARG A 49 65.789 -4.416 -15.556 1.00 0.00 H new ATOM 0 HH12 ARG A 49 64.257 -4.706 -16.387 1.00 0.00 H new ATOM 0 HH21 ARG A 49 63.036 -1.484 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 49 62.726 -3.072 -16.541 1.00 0.00 H new ATOM 795 N ASP A 50 70.114 0.943 -17.651 1.00 0.00 N ATOM 796 CA ASP A 50 70.363 2.393 -17.955 1.00 0.00 C ATOM 797 C ASP A 50 70.206 2.682 -19.455 1.00 0.00 C ATOM 798 O ASP A 50 70.014 1.785 -20.256 1.00 0.00 O ATOM 799 CB ASP A 50 71.801 2.685 -17.489 1.00 0.00 C ATOM 800 CG ASP A 50 72.822 1.903 -18.332 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.456 0.878 -18.885 1.00 0.00 O ATOM 802 OD2 ASP A 50 73.956 2.348 -18.410 1.00 0.00 O ATOM 0 H ASP A 50 70.918 0.435 -17.282 1.00 0.00 H new ATOM 0 HA ASP A 50 69.641 3.030 -17.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 72.002 3.753 -17.566 1.00 0.00 H new ATOM 0 HB3 ASP A 50 71.909 2.415 -16.438 1.00 0.00 H new ATOM 807 N THR A 51 70.292 3.936 -19.824 1.00 0.00 N ATOM 808 CA THR A 51 70.200 4.319 -21.267 1.00 0.00 C ATOM 809 C THR A 51 71.533 4.048 -21.961 1.00 0.00 C ATOM 810 O THR A 51 72.548 3.855 -21.315 1.00 0.00 O ATOM 811 CB THR A 51 69.889 5.819 -21.269 1.00 0.00 C ATOM 812 OG1 THR A 51 68.793 6.076 -20.403 1.00 0.00 O ATOM 813 CG2 THR A 51 69.535 6.266 -22.689 1.00 0.00 C ATOM 0 H THR A 51 70.423 4.717 -19.182 1.00 0.00 H new ATOM 0 HA THR A 51 69.437 3.750 -21.798 1.00 0.00 H new ATOM 0 HB THR A 51 70.762 6.372 -20.923 1.00 0.00 H new ATOM 0 HG1 THR A 51 68.595 7.036 -20.402 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.314 7.333 -22.690 1.00 0.00 H new ATOM 0 HG22 THR A 51 70.377 6.069 -23.353 1.00 0.00 H new ATOM 0 HG23 THR A 51 68.662 5.714 -23.037 1.00 0.00 H new ATOM 821 N GLN A 52 71.538 4.033 -23.271 1.00 0.00 N ATOM 822 CA GLN A 52 72.784 3.659 -24.021 1.00 0.00 C ATOM 823 C GLN A 52 73.797 4.818 -24.049 1.00 0.00 C ATOM 824 O GLN A 52 74.768 4.770 -24.782 1.00 0.00 O ATOM 825 CB GLN A 52 72.333 3.309 -25.451 1.00 0.00 C ATOM 826 CG GLN A 52 71.606 4.493 -26.106 1.00 0.00 C ATOM 827 CD GLN A 52 71.504 4.256 -27.614 1.00 0.00 C ATOM 828 OE1 GLN A 52 70.614 3.569 -28.074 1.00 0.00 O ATOM 829 NE2 GLN A 52 72.384 4.801 -28.408 1.00 0.00 N ATOM 0 H GLN A 52 70.735 4.263 -23.856 1.00 0.00 H new ATOM 0 HA GLN A 52 73.286 2.821 -23.537 1.00 0.00 H new ATOM 0 HB2 GLN A 52 73.200 3.033 -26.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 71.673 2.442 -25.426 1.00 0.00 H new ATOM 0 HG2 GLN A 52 70.611 4.605 -25.676 1.00 0.00 H new ATOM 0 HG3 GLN A 52 72.145 5.419 -25.908 1.00 0.00 H new ATOM 0 HE21 GLN A 52 73.131 5.378 -28.022 1.00 0.00 H new ATOM 0 HE22 GLN A 52 72.325 4.650 -29.415 1.00 0.00 H new ATOM 838 N PHE A 53 73.586 5.852 -23.265 1.00 0.00 N ATOM 839 CA PHE A 53 74.650 6.885 -23.083 1.00 0.00 C ATOM 840 C PHE A 53 75.501 6.539 -21.856 1.00 0.00 C ATOM 841 O PHE A 53 75.115 5.727 -21.035 1.00 0.00 O ATOM 842 CB PHE A 53 73.895 8.201 -22.877 1.00 0.00 C ATOM 843 CG PHE A 53 73.506 8.895 -24.169 1.00 0.00 C ATOM 844 CD1 PHE A 53 73.080 8.139 -25.295 1.00 0.00 C ATOM 845 CD2 PHE A 53 73.565 10.308 -24.252 1.00 0.00 C ATOM 846 CE1 PHE A 53 72.717 8.798 -26.494 1.00 0.00 C ATOM 847 CE2 PHE A 53 73.202 10.964 -25.452 1.00 0.00 C ATOM 848 CZ PHE A 53 72.778 10.210 -26.574 1.00 0.00 C ATOM 0 H PHE A 53 72.724 6.022 -22.746 1.00 0.00 H new ATOM 0 HA PHE A 53 75.330 6.945 -23.933 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.994 8.005 -22.296 1.00 0.00 H new ATOM 0 HB3 PHE A 53 74.515 8.875 -22.286 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.033 7.062 -25.236 1.00 0.00 H new ATOM 0 HD2 PHE A 53 73.888 10.885 -23.398 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.393 8.223 -27.349 1.00 0.00 H new ATOM 0 HE2 PHE A 53 73.248 12.041 -25.513 1.00 0.00 H new ATOM 0 HZ PHE A 53 72.502 10.712 -27.489 1.00 0.00 H new ATOM 858 N GLN A 54 76.654 7.150 -21.728 1.00 0.00 N ATOM 859 CA GLN A 54 77.612 6.744 -20.646 1.00 0.00 C ATOM 860 C GLN A 54 77.032 7.059 -19.261 1.00 0.00 C ATOM 861 O GLN A 54 76.446 8.103 -19.047 1.00 0.00 O ATOM 862 CB GLN A 54 78.879 7.569 -20.892 1.00 0.00 C ATOM 863 CG GLN A 54 79.524 7.138 -22.211 1.00 0.00 C ATOM 864 CD GLN A 54 80.766 7.992 -22.481 1.00 0.00 C ATOM 865 OE1 GLN A 54 80.795 9.164 -22.162 1.00 0.00 O ATOM 866 NE2 GLN A 54 81.801 7.448 -23.062 1.00 0.00 N ATOM 0 H GLN A 54 76.975 7.912 -22.325 1.00 0.00 H new ATOM 0 HA GLN A 54 77.812 5.673 -20.669 1.00 0.00 H new ATOM 0 HB2 GLN A 54 78.633 8.630 -20.925 1.00 0.00 H new ATOM 0 HB3 GLN A 54 79.581 7.430 -20.070 1.00 0.00 H new ATOM 0 HG2 GLN A 54 79.798 6.084 -22.166 1.00 0.00 H new ATOM 0 HG3 GLN A 54 78.811 7.247 -23.028 1.00 0.00 H new ATOM 0 HE21 GLN A 54 81.777 6.464 -23.330 1.00 0.00 H new ATOM 0 HE22 GLN A 54 82.634 8.007 -23.248 1.00 0.00 H new ATOM 875 N ILE A 55 77.198 6.155 -18.324 1.00 0.00 N ATOM 876 CA ILE A 55 76.716 6.403 -16.927 1.00 0.00 C ATOM 877 C ILE A 55 77.907 6.384 -15.961 1.00 0.00 C ATOM 878 O ILE A 55 78.799 5.565 -16.084 1.00 0.00 O ATOM 879 CB ILE A 55 75.740 5.251 -16.613 1.00 0.00 C ATOM 880 CG1 ILE A 55 74.615 5.188 -17.669 1.00 0.00 C ATOM 881 CG2 ILE A 55 75.124 5.457 -15.224 1.00 0.00 C ATOM 882 CD1 ILE A 55 73.867 6.529 -17.755 1.00 0.00 C ATOM 0 H ILE A 55 77.649 5.251 -18.468 1.00 0.00 H new ATOM 0 HA ILE A 55 76.228 7.372 -16.823 1.00 0.00 H new ATOM 0 HB ILE A 55 76.295 4.313 -16.634 1.00 0.00 H new ATOM 0 HG12 ILE A 55 75.038 4.940 -18.642 1.00 0.00 H new ATOM 0 HG13 ILE A 55 73.915 4.392 -17.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 74.435 4.641 -15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 55 75.915 5.474 -14.474 1.00 0.00 H new ATOM 0 HG23 ILE A 55 74.583 6.403 -15.202 1.00 0.00 H new ATOM 0 HD11 ILE A 55 73.080 6.459 -18.506 1.00 0.00 H new ATOM 0 HD12 ILE A 55 73.425 6.762 -16.786 1.00 0.00 H new ATOM 0 HD13 ILE A 55 74.565 7.318 -18.034 1.00 0.00 H new ATOM 894 N ALA A 56 77.921 7.279 -15.003 1.00 0.00 N ATOM 895 CA ALA A 56 79.066 7.337 -14.038 1.00 0.00 C ATOM 896 C ALA A 56 79.048 6.105 -13.113 1.00 0.00 C ATOM 897 O ALA A 56 78.139 5.962 -12.318 1.00 0.00 O ATOM 898 CB ALA A 56 78.843 8.614 -13.222 1.00 0.00 C ATOM 0 H ALA A 56 77.189 7.972 -14.847 1.00 0.00 H new ATOM 0 HA ALA A 56 80.029 7.342 -14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 56 79.645 8.724 -12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 56 78.839 9.476 -13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 56 77.886 8.552 -12.703 1.00 0.00 H new ATOM 904 N PRO A 57 80.050 5.246 -13.237 1.00 0.00 N ATOM 905 CA PRO A 57 80.120 4.042 -12.367 1.00 0.00 C ATOM 906 C PRO A 57 80.404 4.447 -10.916 1.00 0.00 C ATOM 907 O PRO A 57 81.001 5.477 -10.658 1.00 0.00 O ATOM 908 CB PRO A 57 81.282 3.233 -12.944 1.00 0.00 C ATOM 909 CG PRO A 57 82.112 4.219 -13.701 1.00 0.00 C ATOM 910 CD PRO A 57 81.186 5.307 -14.173 1.00 0.00 C ATOM 0 HA PRO A 57 79.188 3.477 -12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 57 81.861 2.757 -12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.922 2.438 -13.597 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.897 4.630 -13.066 1.00 0.00 H new ATOM 0 HG3 PRO A 57 82.605 3.739 -14.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 81.672 6.282 -14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 57 80.865 5.138 -15.201 1.00 0.00 H new ATOM 918 N GLN A 58 79.980 3.642 -9.971 1.00 0.00 N ATOM 919 CA GLN A 58 80.228 3.963 -8.531 1.00 0.00 C ATOM 920 C GLN A 58 80.765 2.724 -7.798 1.00 0.00 C ATOM 921 O GLN A 58 80.118 2.177 -6.921 1.00 0.00 O ATOM 922 CB GLN A 58 78.862 4.380 -7.979 1.00 0.00 C ATOM 923 CG GLN A 58 78.433 5.704 -8.617 1.00 0.00 C ATOM 924 CD GLN A 58 77.051 6.103 -8.094 1.00 0.00 C ATOM 925 OE1 GLN A 58 76.207 5.260 -7.862 1.00 0.00 O ATOM 926 NE2 GLN A 58 76.783 7.364 -7.895 1.00 0.00 N ATOM 0 H GLN A 58 79.471 2.774 -10.137 1.00 0.00 H new ATOM 0 HA GLN A 58 80.972 4.749 -8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 58 78.122 3.607 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 58 78.913 4.487 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.159 6.483 -8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 58 78.407 5.605 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 58 77.490 8.073 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 58 75.866 7.641 -7.545 1.00 0.00 H new ATOM 935 N SER A 59 81.946 2.281 -8.156 1.00 0.00 N ATOM 936 CA SER A 59 82.543 1.076 -7.490 1.00 0.00 C ATOM 937 C SER A 59 82.844 1.374 -6.016 1.00 0.00 C ATOM 938 O SER A 59 82.747 0.505 -5.168 1.00 0.00 O ATOM 939 CB SER A 59 83.839 0.789 -8.250 1.00 0.00 C ATOM 940 OG SER A 59 83.548 0.643 -9.634 1.00 0.00 O ATOM 0 H SER A 59 82.525 2.702 -8.882 1.00 0.00 H new ATOM 0 HA SER A 59 81.863 0.224 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 59 84.550 1.601 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 59 84.306 -0.118 -7.867 1.00 0.00 H new ATOM 0 HG SER A 59 84.376 0.461 -10.125 1.00 0.00 H new ATOM 946 N GLN A 60 83.208 2.598 -5.709 1.00 0.00 N ATOM 947 CA GLN A 60 83.543 2.963 -4.292 1.00 0.00 C ATOM 948 C GLN A 60 82.324 2.770 -3.382 1.00 0.00 C ATOM 949 O GLN A 60 81.193 2.808 -3.830 1.00 0.00 O ATOM 950 CB GLN A 60 83.943 4.441 -4.338 1.00 0.00 C ATOM 951 CG GLN A 60 84.529 4.858 -2.987 1.00 0.00 C ATOM 952 CD GLN A 60 84.790 6.365 -2.986 1.00 0.00 C ATOM 953 OE1 GLN A 60 83.895 7.148 -3.232 1.00 0.00 O ATOM 954 NE2 GLN A 60 85.989 6.807 -2.718 1.00 0.00 N ATOM 0 H GLN A 60 83.288 3.362 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 60 84.340 2.336 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.675 4.605 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 60 83.074 5.056 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.840 4.597 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.457 4.318 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 60 86.741 6.149 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 60 86.174 7.810 -2.715 1.00 0.00 H new ATOM 963 N ILE A 61 82.553 2.561 -2.107 1.00 0.00 N ATOM 964 CA ILE A 61 81.416 2.363 -1.152 1.00 0.00 C ATOM 965 C ILE A 61 81.088 3.688 -0.456 1.00 0.00 C ATOM 966 O ILE A 61 81.973 4.428 -0.068 1.00 0.00 O ATOM 967 CB ILE A 61 81.918 1.322 -0.130 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.396 0.038 -0.846 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.795 0.968 0.855 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.284 -0.554 -1.730 1.00 0.00 C ATOM 0 H ILE A 61 83.481 2.519 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 61 80.508 2.027 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 61 82.757 1.756 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.269 0.264 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.707 -0.700 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.159 0.233 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.479 1.867 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.948 0.553 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.650 -1.456 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.421 -0.802 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 61 80.992 0.176 -2.485 1.00 0.00 H new ATOM 982 N TYR A 62 79.821 3.988 -0.298 1.00 0.00 N ATOM 983 CA TYR A 62 79.422 5.290 0.318 1.00 0.00 C ATOM 984 C TYR A 62 79.108 5.105 1.804 1.00 0.00 C ATOM 985 O TYR A 62 78.214 4.363 2.167 1.00 0.00 O ATOM 986 CB TYR A 62 78.163 5.711 -0.438 1.00 0.00 C ATOM 987 CG TYR A 62 78.395 5.952 -1.911 1.00 0.00 C ATOM 988 CD1 TYR A 62 78.937 7.185 -2.350 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.069 4.947 -2.854 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.155 7.412 -3.731 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.287 5.174 -4.236 1.00 0.00 C ATOM 992 CZ TYR A 62 78.829 6.406 -4.673 1.00 0.00 C ATOM 993 OH TYR A 62 79.041 6.628 -6.019 1.00 0.00 O ATOM 0 H TYR A 62 79.045 3.385 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 62 80.215 6.035 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.403 4.939 -0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.766 6.621 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.184 7.952 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.654 4.007 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.570 8.352 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.040 4.407 -4.955 1.00 0.00 H new ATOM 0 HH TYR A 62 79.912 6.261 -6.278 1.00 0.00 H new ATOM 1003 N ASP A 63 79.845 5.771 2.664 1.00 0.00 N ATOM 1004 CA ASP A 63 79.541 5.733 4.138 1.00 0.00 C ATOM 1005 C ASP A 63 78.065 6.064 4.416 1.00 0.00 C ATOM 1006 O ASP A 63 77.437 5.459 5.266 1.00 0.00 O ATOM 1007 CB ASP A 63 80.437 6.812 4.754 1.00 0.00 C ATOM 1008 CG ASP A 63 81.905 6.398 4.629 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.196 5.234 4.859 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.715 7.250 4.303 1.00 0.00 O ATOM 0 H ASP A 63 80.650 6.344 2.409 1.00 0.00 H new ATOM 0 HA ASP A 63 79.722 4.742 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.274 7.765 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.178 6.958 5.803 1.00 0.00 H new ATOM 1015 N TYR A 64 77.518 7.019 3.703 1.00 0.00 N ATOM 1016 CA TYR A 64 76.123 7.478 3.990 1.00 0.00 C ATOM 1017 C TYR A 64 75.480 8.046 2.721 1.00 0.00 C ATOM 1018 O TYR A 64 76.060 8.871 2.040 1.00 0.00 O ATOM 1019 CB TYR A 64 76.286 8.578 5.042 1.00 0.00 C ATOM 1020 CG TYR A 64 74.987 9.022 5.686 1.00 0.00 C ATOM 1021 CD1 TYR A 64 73.987 9.666 4.914 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.778 8.805 7.070 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.782 10.089 5.526 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.572 9.228 7.680 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.576 9.870 6.908 1.00 0.00 C ATOM 1026 OH TYR A 64 71.401 10.284 7.505 1.00 0.00 O ATOM 0 H TYR A 64 77.980 7.502 2.932 1.00 0.00 H new ATOM 0 HA TYR A 64 75.482 6.667 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.961 8.223 5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.761 9.442 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.144 9.834 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.539 8.317 7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.020 10.579 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.413 9.060 8.735 1.00 0.00 H new ATOM 0 HH TYR A 64 71.420 10.056 8.458 1.00 0.00 H new ATOM 1036 N ILE A 65 74.287 7.607 2.402 1.00 0.00 N ATOM 1037 CA ILE A 65 73.515 8.251 1.288 1.00 0.00 C ATOM 1038 C ILE A 65 72.102 8.611 1.771 1.00 0.00 C ATOM 1039 O ILE A 65 71.389 7.777 2.302 1.00 0.00 O ATOM 1040 CB ILE A 65 73.464 7.215 0.152 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.896 6.897 -0.317 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.656 7.781 -1.029 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.868 5.830 -1.418 1.00 0.00 C ATOM 0 H ILE A 65 73.813 6.831 2.863 1.00 0.00 H new ATOM 0 HA ILE A 65 73.982 9.176 0.949 1.00 0.00 H new ATOM 0 HB ILE A 65 72.987 6.305 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.374 7.803 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.493 6.546 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.622 7.045 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.642 8.007 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.132 8.692 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.886 5.614 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.409 4.920 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.289 6.197 -2.265 1.00 0.00 H new ATOM 1055 N LEU A 66 71.706 9.848 1.590 1.00 0.00 N ATOM 1056 CA LEU A 66 70.316 10.266 1.955 1.00 0.00 C ATOM 1057 C LEU A 66 69.387 10.098 0.749 1.00 0.00 C ATOM 1058 O LEU A 66 69.741 10.438 -0.365 1.00 0.00 O ATOM 1059 CB LEU A 66 70.432 11.742 2.344 1.00 0.00 C ATOM 1060 CG LEU A 66 69.102 12.229 2.922 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.893 11.623 4.311 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.123 13.756 3.032 1.00 0.00 C ATOM 0 H LEU A 66 72.289 10.590 1.203 1.00 0.00 H new ATOM 0 HA LEU A 66 69.901 9.666 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.228 11.873 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.700 12.338 1.472 1.00 0.00 H new ATOM 0 HG LEU A 66 68.288 11.921 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.945 11.971 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.878 10.536 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.707 11.930 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.176 14.104 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.938 14.062 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.270 14.190 2.043 1.00 0.00 H new ATOM 1074 N PHE A 67 68.203 9.579 0.966 1.00 0.00 N ATOM 1075 CA PHE A 67 67.272 9.312 -0.172 1.00 0.00 C ATOM 1076 C PHE A 67 65.847 9.738 0.189 1.00 0.00 C ATOM 1077 O PHE A 67 65.323 9.362 1.222 1.00 0.00 O ATOM 1078 CB PHE A 67 67.337 7.799 -0.385 1.00 0.00 C ATOM 1079 CG PHE A 67 68.456 7.360 -1.301 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.637 7.996 -2.553 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.314 6.303 -0.912 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.676 7.574 -3.415 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.355 5.883 -1.774 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.537 6.518 -3.026 1.00 0.00 C ATOM 0 H PHE A 67 67.841 9.328 1.886 1.00 0.00 H new ATOM 0 HA PHE A 67 67.549 9.868 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.458 7.310 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.387 7.458 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 67 67.983 8.802 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.174 5.817 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.813 8.057 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 67 71.011 5.078 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.331 6.198 -3.684 1.00 0.00 H new ATOM 1094 N ARG A 68 65.221 10.523 -0.654 1.00 0.00 N ATOM 1095 CA ARG A 68 63.783 10.872 -0.437 1.00 0.00 C ATOM 1096 C ARG A 68 62.877 9.865 -1.157 1.00 0.00 C ATOM 1097 O ARG A 68 63.273 9.239 -2.126 1.00 0.00 O ATOM 1098 CB ARG A 68 63.612 12.270 -1.039 1.00 0.00 C ATOM 1099 CG ARG A 68 64.415 13.283 -0.220 1.00 0.00 C ATOM 1100 CD ARG A 68 64.172 14.693 -0.769 1.00 0.00 C ATOM 1101 NE ARG A 68 65.160 15.571 -0.063 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.025 16.884 -0.047 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.023 17.482 -0.652 1.00 0.00 N ATOM 1104 NH2 ARG A 68 65.909 17.607 0.584 1.00 0.00 N ATOM 0 H ARG A 68 65.645 10.937 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 68 63.511 10.848 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.950 12.275 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.558 12.547 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.121 13.234 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.477 13.042 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.319 14.725 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.150 15.019 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 68 65.954 15.145 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.325 16.930 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 68 63.943 18.498 -0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.692 17.157 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 68 65.817 18.623 0.604 1.00 0.00 H new ATOM 1118 N GLY A 69 61.664 9.706 -0.689 1.00 0.00 N ATOM 1119 CA GLY A 69 60.700 8.780 -1.366 1.00 0.00 C ATOM 1120 C GLY A 69 60.470 9.209 -2.826 1.00 0.00 C ATOM 1121 O GLY A 69 60.096 8.403 -3.658 1.00 0.00 O ATOM 0 H GLY A 69 61.297 10.179 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.086 7.761 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.752 8.777 -0.829 1.00 0.00 H new ATOM 1125 N SER A 70 60.689 10.466 -3.139 1.00 0.00 N ATOM 1126 CA SER A 70 60.377 10.966 -4.517 1.00 0.00 C ATOM 1127 C SER A 70 61.393 10.443 -5.543 1.00 0.00 C ATOM 1128 O SER A 70 61.023 10.048 -6.634 1.00 0.00 O ATOM 1129 CB SER A 70 60.459 12.491 -4.422 1.00 0.00 C ATOM 1130 OG SER A 70 59.594 12.944 -3.388 1.00 0.00 O ATOM 0 H SER A 70 61.069 11.165 -2.501 1.00 0.00 H new ATOM 0 HA SER A 70 59.397 10.624 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.484 12.800 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.175 12.942 -5.373 1.00 0.00 H new ATOM 0 HG SER A 70 59.645 13.921 -3.323 1.00 0.00 H new ATOM 1136 N ASP A 71 62.664 10.433 -5.207 1.00 0.00 N ATOM 1137 CA ASP A 71 63.702 10.058 -6.224 1.00 0.00 C ATOM 1138 C ASP A 71 63.874 8.534 -6.304 1.00 0.00 C ATOM 1139 O ASP A 71 64.268 8.011 -7.330 1.00 0.00 O ATOM 1140 CB ASP A 71 65.003 10.754 -5.786 1.00 0.00 C ATOM 1141 CG ASP A 71 65.441 10.275 -4.400 1.00 0.00 C ATOM 1142 OD1 ASP A 71 64.826 10.688 -3.433 1.00 0.00 O ATOM 1143 OD2 ASP A 71 66.391 9.516 -4.331 1.00 0.00 O ATOM 0 H ASP A 71 63.025 10.666 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 71 63.410 10.377 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.791 10.550 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.855 11.834 -5.772 1.00 0.00 H new ATOM 1148 N ILE A 72 63.588 7.819 -5.239 1.00 0.00 N ATOM 1149 CA ILE A 72 63.549 6.322 -5.334 1.00 0.00 C ATOM 1150 C ILE A 72 62.098 5.835 -5.299 1.00 0.00 C ATOM 1151 O ILE A 72 61.274 6.349 -4.567 1.00 0.00 O ATOM 1152 CB ILE A 72 64.375 5.805 -4.141 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.839 6.247 -4.354 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.289 4.263 -4.055 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.763 5.653 -3.284 1.00 0.00 C ATOM 0 H ILE A 72 63.382 8.203 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 72 63.968 5.949 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 72 63.987 6.213 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.175 5.934 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.900 7.335 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.878 3.912 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.249 3.963 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.679 3.825 -4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.786 5.983 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.440 5.988 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.720 4.565 -3.330 1.00 0.00 H new ATOM 1167 N LYS A 73 61.793 4.837 -6.094 1.00 0.00 N ATOM 1168 CA LYS A 73 60.369 4.469 -6.339 1.00 0.00 C ATOM 1169 C LYS A 73 59.977 3.189 -5.589 1.00 0.00 C ATOM 1170 O LYS A 73 58.802 2.911 -5.426 1.00 0.00 O ATOM 1171 CB LYS A 73 60.278 4.252 -7.849 1.00 0.00 C ATOM 1172 CG LYS A 73 58.809 4.136 -8.265 1.00 0.00 C ATOM 1173 CD LYS A 73 58.155 5.518 -8.223 1.00 0.00 C ATOM 1174 CE LYS A 73 56.720 5.421 -8.746 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.177 6.803 -8.636 1.00 0.00 N ATOM 0 H LYS A 73 62.476 4.260 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 73 59.689 5.243 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.751 5.082 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.818 3.348 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.737 3.718 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.284 3.453 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.156 5.901 -7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.727 6.221 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.699 5.069 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.132 4.717 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.194 6.818 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 56.204 7.108 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.753 7.449 -9.212 1.00 0.00 H new ATOM 1189 N ASP A 74 60.930 2.402 -5.128 1.00 0.00 N ATOM 1190 CA ASP A 74 60.548 1.136 -4.421 1.00 0.00 C ATOM 1191 C ASP A 74 61.588 0.750 -3.364 1.00 0.00 C ATOM 1192 O ASP A 74 62.776 0.764 -3.614 1.00 0.00 O ATOM 1193 CB ASP A 74 60.467 0.073 -5.517 1.00 0.00 C ATOM 1194 CG ASP A 74 59.826 -1.198 -4.954 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.835 -1.077 -4.251 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.336 -2.269 -5.236 1.00 0.00 O ATOM 0 H ASP A 74 61.931 2.578 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 74 59.604 1.246 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.881 0.446 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.464 -0.148 -5.897 1.00 0.00 H new ATOM 1201 N ILE A 75 61.129 0.403 -2.184 1.00 0.00 N ATOM 1202 CA ILE A 75 62.052 -0.076 -1.107 1.00 0.00 C ATOM 1203 C ILE A 75 61.508 -1.378 -0.495 1.00 0.00 C ATOM 1204 O ILE A 75 60.321 -1.508 -0.255 1.00 0.00 O ATOM 1205 CB ILE A 75 62.089 1.062 -0.067 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.019 0.676 1.090 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.682 1.332 0.485 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.330 1.914 1.935 1.00 0.00 C ATOM 0 H ILE A 75 60.144 0.432 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 75 63.052 -0.299 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 75 62.459 1.964 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.549 -0.089 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 75 63.943 0.248 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.727 2.138 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.020 1.620 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.299 0.430 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 75 63.991 1.637 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.818 2.665 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.403 2.322 2.337 1.00 0.00 H new ATOM 1220 N ARG A 76 62.369 -2.335 -0.244 1.00 0.00 N ATOM 1221 CA ARG A 76 61.916 -3.628 0.359 1.00 0.00 C ATOM 1222 C ARG A 76 62.987 -4.171 1.310 1.00 0.00 C ATOM 1223 O ARG A 76 64.161 -4.177 0.993 1.00 0.00 O ATOM 1224 CB ARG A 76 61.721 -4.582 -0.824 1.00 0.00 C ATOM 1225 CG ARG A 76 60.393 -4.285 -1.531 1.00 0.00 C ATOM 1226 CD ARG A 76 59.223 -4.689 -0.628 1.00 0.00 C ATOM 1227 NE ARG A 76 57.999 -4.571 -1.486 1.00 0.00 N ATOM 1228 CZ ARG A 76 56.863 -5.149 -1.148 1.00 0.00 C ATOM 1229 NH1 ARG A 76 56.748 -5.850 -0.043 1.00 0.00 N ATOM 1230 NH2 ARG A 76 55.826 -5.020 -1.930 1.00 0.00 N ATOM 0 H ARG A 76 63.370 -2.276 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 76 61.001 -3.509 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.547 -4.475 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.732 -5.614 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 76 60.328 -3.224 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.342 -4.830 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.346 -5.706 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.156 -4.038 0.244 1.00 0.00 H new ATOM 0 HE ARG A 76 58.046 -4.032 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 76 57.550 -5.958 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 76 55.857 -6.286 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 76 55.900 -4.477 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 76 54.941 -5.462 -1.681 1.00 0.00 H new ATOM 1244 N VAL A 77 62.587 -4.627 2.473 1.00 0.00 N ATOM 1245 CA VAL A 77 63.574 -5.204 3.443 1.00 0.00 C ATOM 1246 C VAL A 77 63.787 -6.698 3.156 1.00 0.00 C ATOM 1247 O VAL A 77 62.880 -7.389 2.728 1.00 0.00 O ATOM 1248 CB VAL A 77 62.959 -4.974 4.840 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.623 -5.719 4.985 1.00 0.00 C ATOM 1250 CG2 VAL A 77 63.931 -5.468 5.916 1.00 0.00 C ATOM 0 H VAL A 77 61.619 -4.625 2.794 1.00 0.00 H new ATOM 0 HA VAL A 77 64.555 -4.735 3.367 1.00 0.00 H new ATOM 0 HB VAL A 77 62.776 -3.906 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.212 -5.539 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 77 60.922 -5.359 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 77 61.786 -6.788 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.496 -5.305 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.121 -6.532 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 77 64.869 -4.919 5.838 1.00 0.00 H new ATOM 1260 N VAL A 78 64.979 -7.195 3.387 1.00 0.00 N ATOM 1261 CA VAL A 78 65.263 -8.641 3.112 1.00 0.00 C ATOM 1262 C VAL A 78 65.054 -9.463 4.389 1.00 0.00 C ATOM 1263 O VAL A 78 65.461 -9.065 5.465 1.00 0.00 O ATOM 1264 CB VAL A 78 66.733 -8.692 2.663 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.118 -10.132 2.309 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.932 -7.807 1.427 1.00 0.00 C ATOM 0 H VAL A 78 65.768 -6.662 3.754 1.00 0.00 H new ATOM 0 HA VAL A 78 64.602 -9.056 2.351 1.00 0.00 H new ATOM 0 HB VAL A 78 67.361 -8.332 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.160 -10.162 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 78 66.986 -10.769 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.482 -10.490 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.975 -7.848 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.296 -8.165 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.666 -6.778 1.670 1.00 0.00 H new