USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 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 58 GLN : amide:sc= 0.214 K(o=0.43,f=-5) USER MOD Set 1.2: A 62 TYR OH : rot -159:sc= 0.218 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.145) USER MOD Single : A 13 SER OG : rot 99:sc= 0.0107 USER MOD Single : A 16 SER OG : rot 132:sc= 0.619 USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0582) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0132 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -96:sc= -0.193 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.307 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.62 USER MOD Single : A 43 SER OG : rot 13:sc= 0.203 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.005 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0769 X(o=-0.077,f=-0.5) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0322) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 67.359 -2.272 14.296 1.00 0.00 N ATOM 138 CA LEU A 8 67.753 -1.347 13.181 1.00 0.00 C ATOM 139 C LEU A 8 69.065 -1.812 12.539 1.00 0.00 C ATOM 140 O LEU A 8 69.702 -2.734 13.015 1.00 0.00 O ATOM 141 CB LEU A 8 67.950 0.022 13.842 1.00 0.00 C ATOM 142 CG LEU A 8 66.615 0.528 14.395 1.00 0.00 C ATOM 143 CD1 LEU A 8 66.860 1.750 15.283 1.00 0.00 C ATOM 144 CD2 LEU A 8 65.697 0.921 13.234 1.00 0.00 C ATOM 0 HA LEU A 8 67.000 -1.319 12.393 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.682 -0.054 14.646 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.346 0.733 13.117 1.00 0.00 H new ATOM 0 HG LEU A 8 66.144 -0.261 14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.910 2.110 15.677 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.514 1.474 16.110 1.00 0.00 H new ATOM 0 HD13 LEU A 8 67.331 2.538 14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 64.747 1.281 13.628 1.00 0.00 H new ATOM 0 HD22 LEU A 8 66.169 1.709 12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.521 0.053 12.599 1.00 0.00 H new ATOM 156 N GLY A 9 69.466 -1.181 11.463 1.00 0.00 N ATOM 157 CA GLY A 9 70.725 -1.596 10.766 1.00 0.00 C ATOM 158 C GLY A 9 70.487 -2.799 9.838 1.00 0.00 C ATOM 159 O GLY A 9 71.398 -3.249 9.168 1.00 0.00 O ATOM 0 H GLY A 9 68.976 -0.395 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.113 -0.759 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.484 -1.851 11.506 1.00 0.00 H new ATOM 163 N SER A 10 69.279 -3.326 9.788 1.00 0.00 N ATOM 164 CA SER A 10 69.001 -4.512 8.906 1.00 0.00 C ATOM 165 C SER A 10 69.307 -4.175 7.441 1.00 0.00 C ATOM 166 O SER A 10 69.285 -3.023 7.047 1.00 0.00 O ATOM 167 CB SER A 10 67.510 -4.810 9.082 1.00 0.00 C ATOM 168 OG SER A 10 67.239 -5.050 10.456 1.00 0.00 O ATOM 0 H SER A 10 68.477 -2.986 10.319 1.00 0.00 H new ATOM 0 HA SER A 10 69.621 -5.368 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.915 -3.970 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 10 67.228 -5.678 8.487 1.00 0.00 H new ATOM 0 HG SER A 10 66.285 -5.240 10.573 1.00 0.00 H new ATOM 174 N LYS A 11 69.592 -5.172 6.640 1.00 0.00 N ATOM 175 CA LYS A 11 69.950 -4.915 5.207 1.00 0.00 C ATOM 176 C LYS A 11 68.686 -4.711 4.357 1.00 0.00 C ATOM 177 O LYS A 11 67.800 -5.549 4.326 1.00 0.00 O ATOM 178 CB LYS A 11 70.746 -6.152 4.750 1.00 0.00 C ATOM 179 CG LYS A 11 69.866 -7.412 4.760 1.00 0.00 C ATOM 180 CD LYS A 11 70.751 -8.646 4.576 1.00 0.00 C ATOM 181 CE LYS A 11 69.874 -9.893 4.445 1.00 0.00 C ATOM 182 NZ LYS A 11 69.447 -10.210 5.837 1.00 0.00 N ATOM 0 H LYS A 11 69.593 -6.154 6.915 1.00 0.00 H new ATOM 0 HA LYS A 11 70.539 -4.005 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.137 -5.986 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.604 -6.299 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.318 -7.480 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.125 -7.359 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.372 -8.531 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.426 -8.752 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 11 69.015 -9.706 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.428 -10.721 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.864 -11.117 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 69.769 -9.457 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 68.410 -10.278 5.875 1.00 0.00 H new ATOM 196 N ILE A 12 68.605 -3.596 3.667 1.00 0.00 N ATOM 197 CA ILE A 12 67.424 -3.331 2.787 1.00 0.00 C ATOM 198 C ILE A 12 67.886 -3.104 1.343 1.00 0.00 C ATOM 199 O ILE A 12 68.950 -2.559 1.098 1.00 0.00 O ATOM 200 CB ILE A 12 66.759 -2.068 3.358 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.311 -2.332 4.802 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.533 -1.699 2.510 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.834 -1.026 5.443 1.00 0.00 C ATOM 0 H ILE A 12 69.309 -2.858 3.677 1.00 0.00 H new ATOM 0 HA ILE A 12 66.728 -4.170 2.768 1.00 0.00 H new ATOM 0 HB ILE A 12 67.476 -1.247 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.508 -3.069 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.136 -2.750 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.065 -0.803 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.845 -1.510 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.818 -2.522 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.517 -1.218 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.649 -0.303 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 64.996 -0.626 4.873 1.00 0.00 H new ATOM 215 N SER A 13 67.084 -3.525 0.395 1.00 0.00 N ATOM 216 CA SER A 13 67.400 -3.286 -1.043 1.00 0.00 C ATOM 217 C SER A 13 66.535 -2.142 -1.575 1.00 0.00 C ATOM 218 O SER A 13 65.354 -2.066 -1.290 1.00 0.00 O ATOM 219 CB SER A 13 67.058 -4.596 -1.751 1.00 0.00 C ATOM 220 OG SER A 13 67.436 -4.505 -3.118 1.00 0.00 O ATOM 0 H SER A 13 66.214 -4.030 0.562 1.00 0.00 H new ATOM 0 HA SER A 13 68.441 -3.005 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.577 -5.427 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.990 -4.798 -1.670 1.00 0.00 H new ATOM 0 HG SER A 13 68.300 -4.948 -3.249 1.00 0.00 H new ATOM 226 N LEU A 14 67.116 -1.257 -2.343 1.00 0.00 N ATOM 227 CA LEU A 14 66.406 0.000 -2.730 1.00 0.00 C ATOM 228 C LEU A 14 66.536 0.240 -4.239 1.00 0.00 C ATOM 229 O LEU A 14 67.626 0.259 -4.775 1.00 0.00 O ATOM 230 CB LEU A 14 67.131 1.092 -1.940 1.00 0.00 C ATOM 231 CG LEU A 14 66.255 2.341 -1.847 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.057 2.065 -0.936 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.080 3.490 -1.262 1.00 0.00 C ATOM 0 H LEU A 14 68.058 -1.351 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 14 65.338 -0.030 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.370 0.731 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.076 1.336 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 14 65.898 2.609 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.435 2.958 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.470 1.243 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.411 1.798 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.461 4.384 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.433 3.215 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.935 3.690 -1.908 1.00 0.00 H new ATOM 245 N ILE A 15 65.431 0.424 -4.924 1.00 0.00 N ATOM 246 CA ILE A 15 65.481 0.637 -6.406 1.00 0.00 C ATOM 247 C ILE A 15 65.179 2.108 -6.727 1.00 0.00 C ATOM 248 O ILE A 15 64.106 2.609 -6.419 1.00 0.00 O ATOM 249 CB ILE A 15 64.394 -0.284 -6.988 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.694 -1.744 -6.619 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.367 -0.154 -8.516 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.477 -2.614 -6.938 1.00 0.00 C ATOM 0 H ILE A 15 64.495 0.436 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 15 66.461 0.410 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 15 63.428 0.008 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.563 -2.099 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.940 -1.819 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.596 -0.808 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.149 0.878 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.337 -0.440 -8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.691 -3.650 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.619 -2.264 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.252 -2.549 -8.002 1.00 0.00 H new ATOM 264 N SER A 16 66.122 2.792 -7.337 1.00 0.00 N ATOM 265 CA SER A 16 65.938 4.246 -7.645 1.00 0.00 C ATOM 266 C SER A 16 65.380 4.450 -9.061 1.00 0.00 C ATOM 267 O SER A 16 65.529 3.600 -9.925 1.00 0.00 O ATOM 268 CB SER A 16 67.342 4.844 -7.547 1.00 0.00 C ATOM 269 OG SER A 16 67.862 4.611 -6.244 1.00 0.00 O ATOM 0 H SER A 16 67.016 2.401 -7.636 1.00 0.00 H new ATOM 0 HA SER A 16 65.229 4.714 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.994 4.396 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.309 5.914 -7.752 1.00 0.00 H new ATOM 0 HG SER A 16 68.769 4.248 -6.314 1.00 0.00 H new ATOM 275 N LYS A 17 64.758 5.590 -9.298 1.00 0.00 N ATOM 276 CA LYS A 17 64.015 5.840 -10.586 1.00 0.00 C ATOM 277 C LYS A 17 64.885 5.601 -11.832 1.00 0.00 C ATOM 278 O LYS A 17 64.374 5.519 -12.933 1.00 0.00 O ATOM 279 CB LYS A 17 63.599 7.313 -10.521 1.00 0.00 C ATOM 280 CG LYS A 17 62.605 7.619 -11.645 1.00 0.00 C ATOM 281 CD LYS A 17 62.240 9.104 -11.614 1.00 0.00 C ATOM 282 CE LYS A 17 61.140 9.381 -12.641 1.00 0.00 C ATOM 283 NZ LYS A 17 61.848 9.477 -13.947 1.00 0.00 N ATOM 0 H LYS A 17 64.734 6.370 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 17 63.173 5.154 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.147 7.531 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.476 7.953 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.041 7.361 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.708 7.011 -11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.901 9.385 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.119 9.710 -11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.399 8.581 -12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.609 10.305 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.831 10.462 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.834 9.168 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.374 8.868 -14.644 1.00 0.00 H new ATOM 297 N ALA A 18 66.184 5.489 -11.677 1.00 0.00 N ATOM 298 CA ALA A 18 67.069 5.258 -12.861 1.00 0.00 C ATOM 299 C ALA A 18 67.241 3.754 -13.116 1.00 0.00 C ATOM 300 O ALA A 18 68.180 3.338 -13.768 1.00 0.00 O ATOM 301 CB ALA A 18 68.411 5.890 -12.478 1.00 0.00 C ATOM 0 H ALA A 18 66.668 5.548 -10.781 1.00 0.00 H new ATOM 0 HA ALA A 18 66.656 5.688 -13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.120 5.763 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.270 6.953 -12.281 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.800 5.404 -11.583 1.00 0.00 H new ATOM 307 N ASP A 19 66.339 2.936 -12.605 1.00 0.00 N ATOM 308 CA ASP A 19 66.498 1.444 -12.687 1.00 0.00 C ATOM 309 C ASP A 19 67.856 1.034 -12.116 1.00 0.00 C ATOM 310 O ASP A 19 68.484 0.098 -12.578 1.00 0.00 O ATOM 311 CB ASP A 19 66.388 1.081 -14.175 1.00 0.00 C ATOM 312 CG ASP A 19 64.977 1.401 -14.674 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.089 0.601 -14.431 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.810 2.440 -15.289 1.00 0.00 O ATOM 0 H ASP A 19 65.491 3.246 -12.130 1.00 0.00 H new ATOM 0 HA ASP A 19 65.737 0.921 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.125 1.639 -14.752 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.605 0.023 -14.319 1.00 0.00 H new ATOM 319 N ILE A 20 68.307 1.742 -11.108 1.00 0.00 N ATOM 320 CA ILE A 20 69.607 1.395 -10.457 1.00 0.00 C ATOM 321 C ILE A 20 69.328 0.664 -9.145 1.00 0.00 C ATOM 322 O ILE A 20 68.410 1.010 -8.424 1.00 0.00 O ATOM 323 CB ILE A 20 70.314 2.733 -10.184 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.479 3.515 -11.495 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.698 2.463 -9.579 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.050 4.907 -11.206 1.00 0.00 C ATOM 0 H ILE A 20 67.827 2.548 -10.708 1.00 0.00 H new ATOM 0 HA ILE A 20 70.223 0.747 -11.081 1.00 0.00 H new ATOM 0 HB ILE A 20 69.714 3.319 -9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.142 2.974 -12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.516 3.605 -11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.201 3.410 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.586 1.913 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.292 1.873 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.164 5.455 -12.141 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.371 5.449 -10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.022 4.808 -10.723 1.00 0.00 H new ATOM 338 N ARG A 21 70.109 -0.337 -8.830 1.00 0.00 N ATOM 339 CA ARG A 21 69.879 -1.091 -7.566 1.00 0.00 C ATOM 340 C ARG A 21 70.929 -0.698 -6.523 1.00 0.00 C ATOM 341 O ARG A 21 72.117 -0.867 -6.727 1.00 0.00 O ATOM 342 CB ARG A 21 70.018 -2.565 -7.948 1.00 0.00 C ATOM 343 CG ARG A 21 69.569 -3.441 -6.777 1.00 0.00 C ATOM 344 CD ARG A 21 69.411 -4.890 -7.254 1.00 0.00 C ATOM 345 NE ARG A 21 70.797 -5.356 -7.581 1.00 0.00 N ATOM 346 CZ ARG A 21 71.005 -6.429 -8.320 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.010 -7.141 -8.798 1.00 0.00 N ATOM 348 NH2 ARG A 21 72.231 -6.793 -8.582 1.00 0.00 N ATOM 0 H ARG A 21 70.894 -0.663 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 21 68.903 -0.880 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.415 -2.781 -8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.053 -2.788 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.300 -3.390 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.624 -3.074 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 21 68.960 -5.511 -6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 21 68.761 -4.947 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 21 71.597 -4.833 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.047 -6.869 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 21 70.200 -7.966 -9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 21 73.013 -6.250 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 21 72.407 -7.620 -9.152 1.00 0.00 H new ATOM 362 N TYR A 22 70.482 -0.173 -5.411 1.00 0.00 N ATOM 363 CA TYR A 22 71.404 0.150 -4.285 1.00 0.00 C ATOM 364 C TYR A 22 71.077 -0.755 -3.098 1.00 0.00 C ATOM 365 O TYR A 22 69.945 -1.163 -2.925 1.00 0.00 O ATOM 366 CB TYR A 22 71.100 1.606 -3.927 1.00 0.00 C ATOM 367 CG TYR A 22 71.502 2.609 -4.987 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.797 3.180 -4.962 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.582 2.982 -6.001 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.174 4.126 -5.946 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.960 3.928 -6.988 1.00 0.00 C ATOM 372 CZ TYR A 22 72.256 4.500 -6.959 1.00 0.00 C ATOM 373 OH TYR A 22 72.625 5.422 -7.917 1.00 0.00 O ATOM 0 H TYR A 22 69.502 0.048 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 22 72.453 0.005 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.031 1.705 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.613 1.853 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.498 2.894 -4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.594 2.546 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.162 4.563 -5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.261 4.212 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 22 71.880 5.565 -8.537 1.00 0.00 H new ATOM 383 N GLU A 23 72.047 -1.072 -2.283 1.00 0.00 N ATOM 384 CA GLU A 23 71.759 -1.858 -1.044 1.00 0.00 C ATOM 385 C GLU A 23 72.617 -1.342 0.106 1.00 0.00 C ATOM 386 O GLU A 23 73.773 -1.022 -0.082 1.00 0.00 O ATOM 387 CB GLU A 23 72.136 -3.299 -1.388 1.00 0.00 C ATOM 388 CG GLU A 23 71.158 -3.850 -2.429 1.00 0.00 C ATOM 389 CD GLU A 23 71.298 -5.374 -2.516 1.00 0.00 C ATOM 390 OE1 GLU A 23 72.418 -5.854 -2.451 1.00 0.00 O ATOM 391 OE2 GLU A 23 70.281 -6.035 -2.647 1.00 0.00 O ATOM 0 H GLU A 23 73.026 -0.822 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 23 70.718 -1.776 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 23 73.154 -3.337 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.113 -3.916 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.136 -3.584 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.357 -3.401 -3.402 1.00 0.00 H new ATOM 398 N GLY A 24 72.065 -1.266 1.292 1.00 0.00 N ATOM 399 CA GLY A 24 72.838 -0.690 2.435 1.00 0.00 C ATOM 400 C GLY A 24 72.116 -0.960 3.756 1.00 0.00 C ATOM 401 O GLY A 24 71.005 -1.457 3.778 1.00 0.00 O ATOM 0 H GLY A 24 71.119 -1.576 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.837 -1.126 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.962 0.384 2.294 1.00 0.00 H new ATOM 405 N ARG A 25 72.751 -0.632 4.859 1.00 0.00 N ATOM 406 CA ARG A 25 72.112 -0.852 6.196 1.00 0.00 C ATOM 407 C ARG A 25 71.209 0.329 6.562 1.00 0.00 C ATOM 408 O ARG A 25 71.576 1.477 6.389 1.00 0.00 O ATOM 409 CB ARG A 25 73.275 -0.956 7.186 1.00 0.00 C ATOM 410 CG ARG A 25 74.070 -2.236 6.910 1.00 0.00 C ATOM 411 CD ARG A 25 74.995 -2.535 8.097 1.00 0.00 C ATOM 412 NE ARG A 25 75.996 -1.418 8.119 1.00 0.00 N ATOM 413 CZ ARG A 25 77.118 -1.516 8.805 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.408 -2.590 9.504 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.960 -0.520 8.791 1.00 0.00 N ATOM 0 H ARG A 25 73.684 -0.221 4.890 1.00 0.00 H new ATOM 0 HA ARG A 25 71.486 -1.744 6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.924 -0.085 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.896 -0.964 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.389 -3.071 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.657 -2.122 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 25 74.434 -2.577 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 25 75.487 -3.500 7.977 1.00 0.00 H new ATOM 0 HE ARG A 25 75.805 -0.565 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.758 -3.376 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 25 78.283 -2.638 10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.747 0.321 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.832 -0.582 9.317 1.00 0.00 H new ATOM 429 N LEU A 26 70.029 0.053 7.068 1.00 0.00 N ATOM 430 CA LEU A 26 69.129 1.154 7.544 1.00 0.00 C ATOM 431 C LEU A 26 69.736 1.863 8.760 1.00 0.00 C ATOM 432 O LEU A 26 69.977 1.250 9.785 1.00 0.00 O ATOM 433 CB LEU A 26 67.837 0.442 7.962 1.00 0.00 C ATOM 434 CG LEU A 26 66.756 1.477 8.291 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.272 2.144 7.001 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.578 0.782 8.975 1.00 0.00 C ATOM 0 H LEU A 26 69.650 -0.888 7.172 1.00 0.00 H new ATOM 0 HA LEU A 26 68.971 1.910 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.495 -0.211 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.024 -0.190 8.830 1.00 0.00 H new ATOM 0 HG LEU A 26 67.171 2.234 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.503 2.880 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.110 2.640 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.858 1.388 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.808 1.517 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.165 0.025 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.920 0.308 9.895 1.00 0.00 H new ATOM 448 N TYR A 27 69.984 3.145 8.651 1.00 0.00 N ATOM 449 CA TYR A 27 70.535 3.908 9.810 1.00 0.00 C ATOM 450 C TYR A 27 69.417 4.676 10.524 1.00 0.00 C ATOM 451 O TYR A 27 69.275 4.597 11.730 1.00 0.00 O ATOM 452 CB TYR A 27 71.550 4.876 9.205 1.00 0.00 C ATOM 453 CG TYR A 27 72.361 5.621 10.240 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.037 4.906 11.260 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.445 7.033 10.192 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.795 5.604 12.231 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.203 7.731 11.163 1.00 0.00 C ATOM 458 CZ TYR A 27 73.878 7.017 12.182 1.00 0.00 C ATOM 459 OH TYR A 27 74.616 7.698 13.129 1.00 0.00 O ATOM 0 H TYR A 27 69.828 3.696 7.807 1.00 0.00 H new ATOM 0 HA TYR A 27 70.991 3.253 10.552 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.226 4.322 8.555 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.025 5.597 8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.974 3.828 11.297 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.931 7.578 9.414 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.310 5.059 13.009 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.266 8.809 11.126 1.00 0.00 H new ATOM 0 HH TYR A 27 74.569 8.660 12.950 1.00 0.00 H new ATOM 469 N THR A 28 68.623 5.415 9.783 1.00 0.00 N ATOM 470 CA THR A 28 67.530 6.223 10.412 1.00 0.00 C ATOM 471 C THR A 28 66.396 6.455 9.409 1.00 0.00 C ATOM 472 O THR A 28 66.602 6.417 8.210 1.00 0.00 O ATOM 473 CB THR A 28 68.179 7.554 10.801 1.00 0.00 C ATOM 474 OG1 THR A 28 68.960 8.035 9.716 1.00 0.00 O ATOM 475 CG2 THR A 28 69.072 7.358 12.027 1.00 0.00 C ATOM 0 H THR A 28 68.686 5.493 8.768 1.00 0.00 H new ATOM 0 HA THR A 28 67.096 5.717 11.274 1.00 0.00 H new ATOM 0 HB THR A 28 67.399 8.278 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.895 7.769 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.531 8.309 12.299 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.471 6.994 12.860 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.851 6.632 11.797 1.00 0.00 H new ATOM 483 N VAL A 29 65.202 6.697 9.896 1.00 0.00 N ATOM 484 CA VAL A 29 64.036 6.914 8.982 1.00 0.00 C ATOM 485 C VAL A 29 63.114 8.006 9.552 1.00 0.00 C ATOM 486 O VAL A 29 62.961 8.132 10.753 1.00 0.00 O ATOM 487 CB VAL A 29 63.327 5.549 8.905 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.802 5.139 10.288 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.156 5.627 7.917 1.00 0.00 C ATOM 0 H VAL A 29 64.984 6.754 10.891 1.00 0.00 H new ATOM 0 HA VAL A 29 64.335 7.256 7.991 1.00 0.00 H new ATOM 0 HB VAL A 29 64.045 4.803 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.304 4.172 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.635 5.067 10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.094 5.887 10.645 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.658 4.659 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.446 6.383 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.531 5.895 6.929 1.00 0.00 H new ATOM 499 N ASP A 30 62.503 8.790 8.694 1.00 0.00 N ATOM 500 CA ASP A 30 61.550 9.838 9.166 1.00 0.00 C ATOM 501 C ASP A 30 60.223 9.709 8.400 1.00 0.00 C ATOM 502 O ASP A 30 60.138 10.138 7.264 1.00 0.00 O ATOM 503 CB ASP A 30 62.232 11.168 8.837 1.00 0.00 C ATOM 504 CG ASP A 30 61.575 12.292 9.640 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.356 12.354 9.646 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.301 13.070 10.236 1.00 0.00 O ATOM 0 H ASP A 30 62.626 8.746 7.682 1.00 0.00 H new ATOM 0 HA ASP A 30 61.322 9.752 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.295 11.112 9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.153 11.375 7.770 1.00 0.00 H new ATOM 511 N PRO A 31 59.222 9.120 9.037 1.00 0.00 N ATOM 512 CA PRO A 31 57.935 8.845 8.339 1.00 0.00 C ATOM 513 C PRO A 31 57.270 10.152 7.891 1.00 0.00 C ATOM 514 O PRO A 31 56.759 10.249 6.791 1.00 0.00 O ATOM 515 CB PRO A 31 57.081 8.128 9.389 1.00 0.00 C ATOM 516 CG PRO A 31 57.726 8.426 10.704 1.00 0.00 C ATOM 517 CD PRO A 31 59.186 8.663 10.437 1.00 0.00 C ATOM 0 HA PRO A 31 58.068 8.249 7.436 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.052 8.486 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.050 7.055 9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.272 9.303 11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.591 7.595 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.599 9.412 11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.770 7.753 10.575 1.00 0.00 H new ATOM 525 N GLN A 32 57.286 11.159 8.726 1.00 0.00 N ATOM 526 CA GLN A 32 56.502 12.399 8.422 1.00 0.00 C ATOM 527 C GLN A 32 57.275 13.287 7.439 1.00 0.00 C ATOM 528 O GLN A 32 56.690 14.094 6.738 1.00 0.00 O ATOM 529 CB GLN A 32 56.304 13.108 9.764 1.00 0.00 C ATOM 530 CG GLN A 32 55.416 12.252 10.671 1.00 0.00 C ATOM 531 CD GLN A 32 55.132 13.009 11.970 1.00 0.00 C ATOM 532 OE1 GLN A 32 54.307 13.900 11.998 1.00 0.00 O ATOM 533 NE2 GLN A 32 55.784 12.689 13.053 1.00 0.00 N ATOM 0 H GLN A 32 57.806 11.179 9.603 1.00 0.00 H new ATOM 0 HA GLN A 32 55.544 12.170 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.269 13.281 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.846 14.085 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.481 12.016 10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.908 11.304 10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 32 56.477 11.941 13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 32 55.601 13.187 13.924 1.00 0.00 H new ATOM 542 N GLU A 33 58.577 13.147 7.381 1.00 0.00 N ATOM 543 CA GLU A 33 59.368 13.875 6.339 1.00 0.00 C ATOM 544 C GLU A 33 59.445 13.064 5.031 1.00 0.00 C ATOM 545 O GLU A 33 60.062 13.498 4.075 1.00 0.00 O ATOM 546 CB GLU A 33 60.766 14.044 6.941 1.00 0.00 C ATOM 547 CG GLU A 33 60.699 14.973 8.159 1.00 0.00 C ATOM 548 CD GLU A 33 60.383 16.402 7.705 1.00 0.00 C ATOM 549 OE1 GLU A 33 60.934 16.823 6.700 1.00 0.00 O ATOM 550 OE2 GLU A 33 59.593 17.052 8.371 1.00 0.00 O ATOM 0 H GLU A 33 59.126 12.561 8.009 1.00 0.00 H new ATOM 0 HA GLU A 33 58.908 14.830 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.165 13.073 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.446 14.456 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.934 14.624 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.648 14.953 8.695 1.00 0.00 H new ATOM 557 N CYS A 34 58.827 11.893 4.974 1.00 0.00 N ATOM 558 CA CYS A 34 58.928 11.018 3.752 1.00 0.00 C ATOM 559 C CYS A 34 60.391 10.835 3.317 1.00 0.00 C ATOM 560 O CYS A 34 60.698 10.807 2.137 1.00 0.00 O ATOM 561 CB CYS A 34 58.129 11.747 2.666 1.00 0.00 C ATOM 562 SG CYS A 34 56.359 11.485 2.938 1.00 0.00 S ATOM 0 H CYS A 34 58.256 11.509 5.727 1.00 0.00 H new ATOM 0 HA CYS A 34 58.540 10.018 3.944 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.357 12.813 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.415 11.379 1.681 1.00 0.00 H new ATOM 0 HG CYS A 34 55.682 12.106 2.018 1.00 0.00 H new ATOM 568 N THR A 35 61.294 10.710 4.262 1.00 0.00 N ATOM 569 CA THR A 35 62.747 10.657 3.911 1.00 0.00 C ATOM 570 C THR A 35 63.451 9.567 4.719 1.00 0.00 C ATOM 571 O THR A 35 63.027 9.218 5.803 1.00 0.00 O ATOM 572 CB THR A 35 63.298 12.039 4.280 1.00 0.00 C ATOM 573 OG1 THR A 35 62.842 12.399 5.577 1.00 0.00 O ATOM 574 CG2 THR A 35 62.827 13.084 3.260 1.00 0.00 C ATOM 0 H THR A 35 61.087 10.643 5.258 1.00 0.00 H new ATOM 0 HA THR A 35 62.906 10.422 2.858 1.00 0.00 H new ATOM 0 HB THR A 35 64.387 12.003 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.318 13.200 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.224 14.062 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.184 12.810 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.738 13.123 3.256 1.00 0.00 H new ATOM 582 N ILE A 36 64.523 9.030 4.194 1.00 0.00 N ATOM 583 CA ILE A 36 65.298 7.995 4.947 1.00 0.00 C ATOM 584 C ILE A 36 66.799 8.184 4.707 1.00 0.00 C ATOM 585 O ILE A 36 67.205 8.839 3.766 1.00 0.00 O ATOM 586 CB ILE A 36 64.819 6.636 4.405 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.039 6.556 2.885 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.328 6.458 4.710 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.849 5.112 2.415 1.00 0.00 C ATOM 0 H ILE A 36 64.897 9.264 3.274 1.00 0.00 H new ATOM 0 HA ILE A 36 65.138 8.067 6.023 1.00 0.00 H new ATOM 0 HB ILE A 36 65.393 5.846 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.337 7.212 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.042 6.902 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.990 5.496 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.170 6.494 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.761 7.258 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.005 5.056 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.569 4.467 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.838 4.782 2.652 1.00 0.00 H new ATOM 601 N ALA A 37 67.621 7.614 5.552 1.00 0.00 N ATOM 602 CA ALA A 37 69.096 7.681 5.335 1.00 0.00 C ATOM 603 C ALA A 37 69.718 6.307 5.589 1.00 0.00 C ATOM 604 O ALA A 37 69.500 5.701 6.624 1.00 0.00 O ATOM 605 CB ALA A 37 69.614 8.705 6.347 1.00 0.00 C ATOM 0 H ALA A 37 67.331 7.103 6.386 1.00 0.00 H new ATOM 0 HA ALA A 37 69.351 7.968 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.694 8.805 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.141 9.670 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.376 8.371 7.357 1.00 0.00 H new ATOM 611 N LEU A 38 70.488 5.820 4.649 1.00 0.00 N ATOM 612 CA LEU A 38 71.094 4.462 4.789 1.00 0.00 C ATOM 613 C LEU A 38 72.600 4.593 5.005 1.00 0.00 C ATOM 614 O LEU A 38 73.224 5.505 4.494 1.00 0.00 O ATOM 615 CB LEU A 38 70.805 3.751 3.460 1.00 0.00 C ATOM 616 CG LEU A 38 69.293 3.614 3.253 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.017 3.104 1.837 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.722 2.619 4.270 1.00 0.00 C ATOM 0 H LEU A 38 70.724 6.309 3.785 1.00 0.00 H new ATOM 0 HA LEU A 38 70.688 3.911 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.243 4.313 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.271 2.766 3.457 1.00 0.00 H new ATOM 0 HG LEU A 38 68.820 4.586 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.942 3.006 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.421 3.810 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.492 2.132 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.647 2.523 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.195 1.647 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.918 2.979 5.280 1.00 0.00 H new ATOM 630 N SER A 39 73.186 3.692 5.751 1.00 0.00 N ATOM 631 CA SER A 39 74.647 3.786 6.037 1.00 0.00 C ATOM 632 C SER A 39 75.350 2.552 5.481 1.00 0.00 C ATOM 633 O SER A 39 74.757 1.495 5.387 1.00 0.00 O ATOM 634 CB SER A 39 74.756 3.832 7.561 1.00 0.00 C ATOM 635 OG SER A 39 74.293 2.601 8.100 1.00 0.00 O ATOM 0 H SER A 39 72.713 2.894 6.175 1.00 0.00 H new ATOM 0 HA SER A 39 75.111 4.660 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.790 4.007 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.166 4.660 7.955 1.00 0.00 H new ATOM 0 HG SER A 39 74.363 2.625 9.077 1.00 0.00 H new ATOM 641 N SER A 40 76.607 2.681 5.112 1.00 0.00 N ATOM 642 CA SER A 40 77.330 1.571 4.401 1.00 0.00 C ATOM 643 C SER A 40 76.451 0.993 3.279 1.00 0.00 C ATOM 644 O SER A 40 75.755 0.009 3.458 1.00 0.00 O ATOM 645 CB SER A 40 77.651 0.524 5.475 1.00 0.00 C ATOM 646 OG SER A 40 76.482 -0.213 5.809 1.00 0.00 O ATOM 0 H SER A 40 77.168 3.517 5.275 1.00 0.00 H new ATOM 0 HA SER A 40 78.244 1.918 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.425 -0.153 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.047 1.015 6.364 1.00 0.00 H new ATOM 0 HG SER A 40 75.733 0.094 5.257 1.00 0.00 H new ATOM 652 N VAL A 41 76.477 1.624 2.131 1.00 0.00 N ATOM 653 CA VAL A 41 75.647 1.159 0.981 1.00 0.00 C ATOM 654 C VAL A 41 76.495 1.153 -0.302 1.00 0.00 C ATOM 655 O VAL A 41 77.422 1.929 -0.445 1.00 0.00 O ATOM 656 CB VAL A 41 74.480 2.162 0.900 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.010 3.563 0.586 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.487 1.737 -0.192 1.00 0.00 C ATOM 0 H VAL A 41 77.045 2.450 1.942 1.00 0.00 H new ATOM 0 HA VAL A 41 75.275 0.142 1.104 1.00 0.00 H new ATOM 0 HB VAL A 41 73.970 2.176 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.177 4.263 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.697 3.877 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.535 3.548 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.668 2.455 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 41 73.997 1.706 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.091 0.749 0.041 1.00 0.00 H new ATOM 668 N ARG A 42 76.180 0.282 -1.228 1.00 0.00 N ATOM 669 CA ARG A 42 76.936 0.232 -2.517 1.00 0.00 C ATOM 670 C ARG A 42 75.962 0.096 -3.694 1.00 0.00 C ATOM 671 O ARG A 42 74.872 -0.423 -3.544 1.00 0.00 O ATOM 672 CB ARG A 42 77.852 -0.998 -2.406 1.00 0.00 C ATOM 673 CG ARG A 42 77.021 -2.276 -2.217 1.00 0.00 C ATOM 674 CD ARG A 42 77.954 -3.451 -1.908 1.00 0.00 C ATOM 675 NE ARG A 42 77.068 -4.660 -1.866 1.00 0.00 N ATOM 676 CZ ARG A 42 77.565 -5.880 -1.953 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.856 -6.093 -2.075 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.753 -6.901 -1.915 1.00 0.00 N ATOM 0 H ARG A 42 75.427 -0.401 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 42 77.514 1.139 -2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.463 -1.085 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.535 -0.875 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.307 -2.141 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.443 -2.484 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.724 -3.554 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.467 -3.306 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 42 76.060 -4.537 -1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.502 -5.305 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.212 -7.047 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.749 -6.751 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.123 -7.849 -1.981 1.00 0.00 H new ATOM 692 N SER A 43 76.350 0.562 -4.857 1.00 0.00 N ATOM 693 CA SER A 43 75.471 0.431 -6.059 1.00 0.00 C ATOM 694 C SER A 43 76.053 -0.612 -7.017 1.00 0.00 C ATOM 695 O SER A 43 77.253 -0.675 -7.218 1.00 0.00 O ATOM 696 CB SER A 43 75.469 1.816 -6.704 1.00 0.00 C ATOM 697 OG SER A 43 76.764 2.097 -7.219 1.00 0.00 O ATOM 0 H SER A 43 77.241 1.029 -5.025 1.00 0.00 H new ATOM 0 HA SER A 43 74.463 0.105 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.730 1.856 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.185 2.571 -5.971 1.00 0.00 H new ATOM 0 HG SER A 43 77.298 1.275 -7.228 1.00 0.00 H new ATOM 703 N PHE A 44 75.213 -1.428 -7.606 1.00 0.00 N ATOM 704 CA PHE A 44 75.727 -2.557 -8.446 1.00 0.00 C ATOM 705 C PHE A 44 76.064 -2.080 -9.863 1.00 0.00 C ATOM 706 O PHE A 44 77.040 -2.515 -10.447 1.00 0.00 O ATOM 707 CB PHE A 44 74.592 -3.581 -8.479 1.00 0.00 C ATOM 708 CG PHE A 44 74.499 -4.409 -7.220 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.217 -5.625 -7.116 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.700 -3.964 -6.139 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.133 -6.398 -5.933 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.615 -4.737 -4.956 1.00 0.00 C ATOM 713 CZ PHE A 44 74.333 -5.954 -4.852 1.00 0.00 C ATOM 0 H PHE A 44 74.197 -1.362 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 44 76.646 -2.977 -8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.647 -3.061 -8.634 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.735 -4.244 -9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.829 -5.963 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.155 -3.035 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.679 -7.326 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.003 -4.399 -4.133 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.270 -6.543 -3.949 1.00 0.00 H new ATOM 723 N GLY A 45 75.272 -1.195 -10.420 1.00 0.00 N ATOM 724 CA GLY A 45 75.594 -0.653 -11.773 1.00 0.00 C ATOM 725 C GLY A 45 74.397 0.114 -12.343 1.00 0.00 C ATOM 726 O GLY A 45 73.316 0.108 -11.786 1.00 0.00 O ATOM 0 H GLY A 45 74.420 -0.827 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.460 0.007 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.863 -1.469 -12.444 1.00 0.00 H new ATOM 730 N THR A 46 74.599 0.774 -13.457 1.00 0.00 N ATOM 731 CA THR A 46 73.469 1.452 -14.175 1.00 0.00 C ATOM 732 C THR A 46 73.276 0.850 -15.580 1.00 0.00 C ATOM 733 O THR A 46 72.489 1.348 -16.362 1.00 0.00 O ATOM 734 CB THR A 46 73.866 2.932 -14.275 1.00 0.00 C ATOM 735 OG1 THR A 46 75.274 3.050 -14.429 1.00 0.00 O ATOM 736 CG2 THR A 46 73.422 3.675 -13.009 1.00 0.00 C ATOM 0 H THR A 46 75.509 0.874 -13.907 1.00 0.00 H new ATOM 0 HA THR A 46 72.526 1.323 -13.644 1.00 0.00 H new ATOM 0 HB THR A 46 73.375 3.372 -15.143 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.518 3.997 -14.494 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.706 4.725 -13.085 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.340 3.599 -12.903 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.904 3.231 -12.138 1.00 0.00 H new ATOM 744 N GLU A 47 73.991 -0.212 -15.900 1.00 0.00 N ATOM 745 CA GLU A 47 74.052 -0.728 -17.313 1.00 0.00 C ATOM 746 C GLU A 47 72.658 -0.874 -17.948 1.00 0.00 C ATOM 747 O GLU A 47 72.522 -0.831 -19.157 1.00 0.00 O ATOM 748 CB GLU A 47 74.723 -2.101 -17.209 1.00 0.00 C ATOM 749 CG GLU A 47 76.194 -1.924 -16.819 1.00 0.00 C ATOM 750 CD GLU A 47 76.899 -3.285 -16.821 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.276 -4.257 -16.425 1.00 0.00 O ATOM 752 OE2 GLU A 47 78.051 -3.330 -17.219 1.00 0.00 O ATOM 0 H GLU A 47 74.542 -0.750 -15.231 1.00 0.00 H new ATOM 0 HA GLU A 47 74.598 -0.032 -17.950 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.210 -2.713 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.649 -2.627 -18.161 1.00 0.00 H new ATOM 0 HG2 GLU A 47 76.686 -1.248 -17.518 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.266 -1.468 -15.831 1.00 0.00 H new ATOM 759 N ASP A 48 71.629 -1.048 -17.152 1.00 0.00 N ATOM 760 CA ASP A 48 70.250 -1.201 -17.729 1.00 0.00 C ATOM 761 C ASP A 48 69.819 0.087 -18.446 1.00 0.00 C ATOM 762 O ASP A 48 69.528 0.077 -19.629 1.00 0.00 O ATOM 763 CB ASP A 48 69.335 -1.474 -16.531 1.00 0.00 C ATOM 764 CG ASP A 48 69.687 -2.830 -15.912 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.910 -3.765 -16.665 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.725 -2.911 -14.696 1.00 0.00 O ATOM 0 H ASP A 48 71.681 -1.091 -16.134 1.00 0.00 H new ATOM 0 HA ASP A 48 70.208 -2.004 -18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.447 -0.684 -15.788 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.292 -1.468 -16.848 1.00 0.00 H new ATOM 771 N ARG A 49 69.776 1.189 -17.737 1.00 0.00 N ATOM 772 CA ARG A 49 69.413 2.495 -18.378 1.00 0.00 C ATOM 773 C ARG A 49 70.666 3.274 -18.814 1.00 0.00 C ATOM 774 O ARG A 49 70.580 4.431 -19.182 1.00 0.00 O ATOM 775 CB ARG A 49 68.652 3.270 -17.301 1.00 0.00 C ATOM 776 CG ARG A 49 67.272 2.640 -17.095 1.00 0.00 C ATOM 777 CD ARG A 49 66.380 2.949 -18.302 1.00 0.00 C ATOM 778 NE ARG A 49 65.022 2.428 -17.939 1.00 0.00 N ATOM 779 CZ ARG A 49 63.940 2.815 -18.587 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.002 3.667 -19.586 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.780 2.336 -18.231 1.00 0.00 N ATOM 0 H ARG A 49 69.977 1.242 -16.738 1.00 0.00 H new ATOM 0 HA ARG A 49 68.819 2.344 -19.279 1.00 0.00 H new ATOM 0 HB2 ARG A 49 69.212 3.258 -16.366 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.546 4.314 -17.596 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.369 1.562 -16.968 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.816 3.028 -16.184 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.349 4.020 -18.503 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.758 2.466 -19.203 1.00 0.00 H new ATOM 0 HE ARG A 49 64.933 1.759 -17.174 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.903 4.046 -19.878 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.149 3.949 -20.069 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.718 1.671 -17.460 1.00 0.00 H new ATOM 0 HH22 ARG A 49 61.935 2.627 -18.723 1.00 0.00 H new ATOM 795 N ASP A 50 71.825 2.654 -18.776 1.00 0.00 N ATOM 796 CA ASP A 50 73.102 3.413 -18.994 1.00 0.00 C ATOM 797 C ASP A 50 73.139 4.051 -20.392 1.00 0.00 C ATOM 798 O ASP A 50 72.267 3.831 -21.212 1.00 0.00 O ATOM 799 CB ASP A 50 74.228 2.376 -18.839 1.00 0.00 C ATOM 800 CG ASP A 50 74.150 1.310 -19.949 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.109 1.196 -20.578 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.140 0.625 -20.149 1.00 0.00 O ATOM 0 H ASP A 50 71.942 1.655 -18.603 1.00 0.00 H new ATOM 0 HA ASP A 50 73.203 4.233 -18.283 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.196 2.876 -18.877 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.155 1.897 -17.863 1.00 0.00 H new ATOM 807 N THR A 51 74.154 4.837 -20.654 1.00 0.00 N ATOM 808 CA THR A 51 74.346 5.413 -22.022 1.00 0.00 C ATOM 809 C THR A 51 74.959 4.362 -22.947 1.00 0.00 C ATOM 810 O THR A 51 75.474 3.355 -22.495 1.00 0.00 O ATOM 811 CB THR A 51 75.314 6.586 -21.844 1.00 0.00 C ATOM 812 OG1 THR A 51 76.408 6.178 -21.034 1.00 0.00 O ATOM 813 CG2 THR A 51 74.591 7.754 -21.177 1.00 0.00 C ATOM 0 H THR A 51 74.864 5.107 -19.973 1.00 0.00 H new ATOM 0 HA THR A 51 73.403 5.732 -22.465 1.00 0.00 H new ATOM 0 HB THR A 51 75.682 6.902 -22.820 1.00 0.00 H new ATOM 0 HG1 THR A 51 77.029 6.928 -20.921 1.00 0.00 H new ATOM 0 HG21 THR A 51 75.283 8.587 -21.052 1.00 0.00 H new ATOM 0 HG22 THR A 51 73.754 8.068 -21.801 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.219 7.442 -20.201 1.00 0.00 H new ATOM 821 N GLN A 52 74.908 4.590 -24.236 1.00 0.00 N ATOM 822 CA GLN A 52 75.533 3.621 -25.194 1.00 0.00 C ATOM 823 C GLN A 52 77.067 3.789 -25.232 1.00 0.00 C ATOM 824 O GLN A 52 77.744 3.120 -25.991 1.00 0.00 O ATOM 825 CB GLN A 52 74.907 3.935 -26.566 1.00 0.00 C ATOM 826 CG GLN A 52 75.308 5.340 -27.044 1.00 0.00 C ATOM 827 CD GLN A 52 74.377 5.776 -28.177 1.00 0.00 C ATOM 828 OE1 GLN A 52 73.239 6.131 -27.941 1.00 0.00 O ATOM 829 NE2 GLN A 52 74.816 5.765 -29.406 1.00 0.00 N ATOM 0 H GLN A 52 74.463 5.401 -24.667 1.00 0.00 H new ATOM 0 HA GLN A 52 75.349 2.589 -24.897 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.230 3.192 -27.296 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.821 3.865 -26.499 1.00 0.00 H new ATOM 0 HG2 GLN A 52 75.249 6.048 -26.217 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.342 5.338 -27.389 1.00 0.00 H new ATOM 0 HE21 GLN A 52 75.771 5.467 -29.604 1.00 0.00 H new ATOM 0 HE22 GLN A 52 74.204 6.054 -30.169 1.00 0.00 H new ATOM 838 N PHE A 53 77.619 4.673 -24.427 1.00 0.00 N ATOM 839 CA PHE A 53 79.101 4.720 -24.255 1.00 0.00 C ATOM 840 C PHE A 53 79.493 3.959 -22.985 1.00 0.00 C ATOM 841 O PHE A 53 78.654 3.649 -22.160 1.00 0.00 O ATOM 842 CB PHE A 53 79.441 6.204 -24.125 1.00 0.00 C ATOM 843 CG PHE A 53 79.583 6.910 -25.455 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.547 6.827 -26.418 1.00 0.00 C ATOM 845 CD2 PHE A 53 80.754 7.655 -25.737 1.00 0.00 C ATOM 846 CE1 PHE A 53 78.683 7.489 -27.662 1.00 0.00 C ATOM 847 CE2 PHE A 53 80.889 8.317 -26.982 1.00 0.00 C ATOM 848 CZ PHE A 53 79.854 8.234 -27.945 1.00 0.00 C ATOM 0 H PHE A 53 77.101 5.363 -23.883 1.00 0.00 H new ATOM 0 HA PHE A 53 79.636 4.260 -25.086 1.00 0.00 H new ATOM 0 HB2 PHE A 53 78.663 6.697 -23.542 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.371 6.308 -23.567 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.654 6.259 -26.203 1.00 0.00 H new ATOM 0 HD2 PHE A 53 81.544 7.718 -25.003 1.00 0.00 H new ATOM 0 HE1 PHE A 53 77.893 7.426 -28.396 1.00 0.00 H new ATOM 0 HE2 PHE A 53 81.782 8.885 -27.197 1.00 0.00 H new ATOM 0 HZ PHE A 53 79.957 8.738 -28.894 1.00 0.00 H new ATOM 858 N GLN A 54 80.759 3.657 -22.823 1.00 0.00 N ATOM 859 CA GLN A 54 81.197 2.829 -21.649 1.00 0.00 C ATOM 860 C GLN A 54 80.969 3.593 -20.340 1.00 0.00 C ATOM 861 O GLN A 54 81.189 4.788 -20.264 1.00 0.00 O ATOM 862 CB GLN A 54 82.692 2.574 -21.863 1.00 0.00 C ATOM 863 CG GLN A 54 82.891 1.694 -23.100 1.00 0.00 C ATOM 864 CD GLN A 54 84.374 1.359 -23.257 1.00 0.00 C ATOM 865 OE1 GLN A 54 84.889 0.494 -22.577 1.00 0.00 O ATOM 866 NE2 GLN A 54 85.090 2.014 -24.130 1.00 0.00 N ATOM 0 H GLN A 54 81.509 3.947 -23.451 1.00 0.00 H new ATOM 0 HA GLN A 54 80.633 1.899 -21.578 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.218 3.520 -21.989 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.117 2.087 -20.986 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.309 0.777 -23.004 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.528 2.211 -23.989 1.00 0.00 H new ATOM 0 HE21 GLN A 54 84.658 2.740 -24.701 1.00 0.00 H new ATOM 0 HE22 GLN A 54 86.081 1.799 -24.241 1.00 0.00 H new ATOM 875 N ILE A 55 80.529 2.906 -19.312 1.00 0.00 N ATOM 876 CA ILE A 55 80.274 3.579 -17.998 1.00 0.00 C ATOM 877 C ILE A 55 81.291 3.090 -16.961 1.00 0.00 C ATOM 878 O ILE A 55 81.651 1.926 -16.937 1.00 0.00 O ATOM 879 CB ILE A 55 78.845 3.174 -17.588 1.00 0.00 C ATOM 880 CG1 ILE A 55 77.848 3.535 -18.705 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.454 3.919 -16.306 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.649 2.330 -19.629 1.00 0.00 C ATOM 0 H ILE A 55 80.335 1.905 -19.327 1.00 0.00 H new ATOM 0 HA ILE A 55 80.372 4.662 -18.067 1.00 0.00 H new ATOM 0 HB ILE A 55 78.818 2.098 -17.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 76.894 3.834 -18.271 1.00 0.00 H new ATOM 0 HG13 ILE A 55 78.219 4.386 -19.276 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.443 3.634 -16.014 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.149 3.659 -15.508 1.00 0.00 H new ATOM 0 HG23 ILE A 55 78.491 4.994 -16.484 1.00 0.00 H new ATOM 0 HD11 ILE A 55 76.943 2.589 -20.418 1.00 0.00 H new ATOM 0 HD12 ILE A 55 78.604 2.051 -20.074 1.00 0.00 H new ATOM 0 HD13 ILE A 55 77.258 1.491 -19.054 1.00 0.00 H new ATOM 894 N ALA A 56 81.753 3.970 -16.108 1.00 0.00 N ATOM 895 CA ALA A 56 82.753 3.568 -15.070 1.00 0.00 C ATOM 896 C ALA A 56 82.035 3.155 -13.773 1.00 0.00 C ATOM 897 O ALA A 56 81.477 3.998 -13.097 1.00 0.00 O ATOM 898 CB ALA A 56 83.602 4.820 -14.833 1.00 0.00 C ATOM 0 H ALA A 56 81.480 4.953 -16.085 1.00 0.00 H new ATOM 0 HA ALA A 56 83.357 2.717 -15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.362 4.607 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.085 5.114 -15.765 1.00 0.00 H new ATOM 0 HB3 ALA A 56 82.964 5.632 -14.484 1.00 0.00 H new ATOM 904 N PRO A 57 82.063 1.869 -13.457 1.00 0.00 N ATOM 905 CA PRO A 57 81.408 1.385 -12.210 1.00 0.00 C ATOM 906 C PRO A 57 82.138 1.928 -10.977 1.00 0.00 C ATOM 907 O PRO A 57 83.342 2.112 -10.992 1.00 0.00 O ATOM 908 CB PRO A 57 81.530 -0.138 -12.291 1.00 0.00 C ATOM 909 CG PRO A 57 82.646 -0.397 -13.252 1.00 0.00 C ATOM 910 CD PRO A 57 82.689 0.765 -14.205 1.00 0.00 C ATOM 0 HA PRO A 57 80.373 1.714 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 57 81.746 -0.567 -11.313 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.600 -0.589 -12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 57 83.594 -0.497 -12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 57 82.482 -1.330 -13.790 1.00 0.00 H new ATOM 0 HD2 PRO A 57 83.712 1.008 -14.491 1.00 0.00 H new ATOM 0 HD3 PRO A 57 82.144 0.547 -15.124 1.00 0.00 H new ATOM 918 N GLN A 58 81.416 2.184 -9.914 1.00 0.00 N ATOM 919 CA GLN A 58 82.055 2.724 -8.675 1.00 0.00 C ATOM 920 C GLN A 58 82.346 1.586 -7.692 1.00 0.00 C ATOM 921 O GLN A 58 81.444 0.922 -7.216 1.00 0.00 O ATOM 922 CB GLN A 58 81.027 3.693 -8.087 1.00 0.00 C ATOM 923 CG GLN A 58 80.864 4.895 -9.020 1.00 0.00 C ATOM 924 CD GLN A 58 79.775 5.823 -8.478 1.00 0.00 C ATOM 925 OE1 GLN A 58 78.792 5.370 -7.924 1.00 0.00 O ATOM 926 NE2 GLN A 58 79.907 7.115 -8.616 1.00 0.00 N ATOM 0 H GLN A 58 80.408 2.042 -9.851 1.00 0.00 H new ATOM 0 HA GLN A 58 83.005 3.216 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.070 3.189 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.349 4.026 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.808 5.435 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.602 4.557 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.731 7.497 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 58 79.186 7.742 -8.259 1.00 0.00 H new ATOM 935 N SER A 59 83.602 1.362 -7.388 1.00 0.00 N ATOM 936 CA SER A 59 83.969 0.268 -6.434 1.00 0.00 C ATOM 937 C SER A 59 83.959 0.785 -4.990 1.00 0.00 C ATOM 938 O SER A 59 83.713 0.038 -4.061 1.00 0.00 O ATOM 939 CB SER A 59 85.380 -0.160 -6.839 1.00 0.00 C ATOM 940 OG SER A 59 86.291 0.894 -6.557 1.00 0.00 O ATOM 0 H SER A 59 84.391 1.891 -7.760 1.00 0.00 H new ATOM 0 HA SER A 59 83.263 -0.561 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.669 -1.060 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.407 -0.405 -7.901 1.00 0.00 H new ATOM 0 HG SER A 59 87.196 0.621 -6.814 1.00 0.00 H new ATOM 946 N GLN A 60 84.225 2.058 -4.797 1.00 0.00 N ATOM 947 CA GLN A 60 84.259 2.629 -3.408 1.00 0.00 C ATOM 948 C GLN A 60 82.886 2.502 -2.736 1.00 0.00 C ATOM 949 O GLN A 60 81.859 2.577 -3.386 1.00 0.00 O ATOM 950 CB GLN A 60 84.627 4.106 -3.583 1.00 0.00 C ATOM 951 CG GLN A 60 86.049 4.221 -4.143 1.00 0.00 C ATOM 952 CD GLN A 60 87.059 3.813 -3.069 1.00 0.00 C ATOM 953 OE1 GLN A 60 86.982 4.263 -1.943 1.00 0.00 O ATOM 954 NE2 GLN A 60 88.010 2.972 -3.371 1.00 0.00 N ATOM 0 H GLN A 60 84.420 2.727 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 60 84.973 2.101 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.920 4.589 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.560 4.623 -2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.158 3.583 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 60 86.241 5.244 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 60 88.075 2.594 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 60 88.688 2.693 -2.662 1.00 0.00 H new ATOM 963 N ILE A 61 82.868 2.309 -1.440 1.00 0.00 N ATOM 964 CA ILE A 61 81.570 2.189 -0.704 1.00 0.00 C ATOM 965 C ILE A 61 81.195 3.544 -0.093 1.00 0.00 C ATOM 966 O ILE A 61 82.052 4.294 0.338 1.00 0.00 O ATOM 967 CB ILE A 61 81.825 1.147 0.403 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.331 -0.179 -0.206 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.530 0.890 1.184 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.310 -0.746 -1.203 1.00 0.00 C ATOM 0 H ILE A 61 83.701 2.229 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 61 80.749 1.889 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 61 82.587 1.538 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.284 -0.013 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.512 -0.904 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.716 0.153 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.188 1.820 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.764 0.514 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.688 -1.680 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.366 -0.933 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.150 -0.029 -2.008 1.00 0.00 H new ATOM 982 N TYR A 62 79.923 3.859 -0.052 1.00 0.00 N ATOM 983 CA TYR A 62 79.486 5.173 0.515 1.00 0.00 C ATOM 984 C TYR A 62 79.107 5.015 1.989 1.00 0.00 C ATOM 985 O TYR A 62 78.155 4.334 2.320 1.00 0.00 O ATOM 986 CB TYR A 62 78.264 5.573 -0.308 1.00 0.00 C ATOM 987 CG TYR A 62 78.577 5.852 -1.758 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.189 7.075 -2.128 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.258 4.892 -2.750 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.483 7.338 -3.488 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.552 5.155 -4.110 1.00 0.00 C ATOM 992 CZ TYR A 62 79.164 6.378 -4.479 1.00 0.00 C ATOM 993 OH TYR A 62 79.450 6.634 -5.804 1.00 0.00 O ATOM 0 H TYR A 62 79.167 3.262 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 62 80.275 5.924 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.522 4.777 -0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.813 6.461 0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.432 7.807 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.791 3.960 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.950 8.270 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.310 4.423 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 62 78.893 6.065 -6.375 1.00 0.00 H new ATOM 1003 N ASP A 63 79.854 5.638 2.874 1.00 0.00 N ATOM 1004 CA ASP A 63 79.521 5.590 4.342 1.00 0.00 C ATOM 1005 C ASP A 63 78.053 5.970 4.606 1.00 0.00 C ATOM 1006 O ASP A 63 77.390 5.371 5.433 1.00 0.00 O ATOM 1007 CB ASP A 63 80.463 6.613 5.005 1.00 0.00 C ATOM 1008 CG ASP A 63 80.242 8.012 4.412 1.00 0.00 C ATOM 1009 OD1 ASP A 63 80.517 8.186 3.235 1.00 0.00 O ATOM 1010 OD2 ASP A 63 79.804 8.882 5.145 1.00 0.00 O ATOM 0 H ASP A 63 80.686 6.182 2.643 1.00 0.00 H new ATOM 0 HA ASP A 63 79.650 4.584 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.286 6.635 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 63 81.500 6.309 4.859 1.00 0.00 H new ATOM 1015 N TYR A 64 77.550 6.959 3.906 1.00 0.00 N ATOM 1016 CA TYR A 64 76.168 7.461 4.184 1.00 0.00 C ATOM 1017 C TYR A 64 75.564 8.078 2.920 1.00 0.00 C ATOM 1018 O TYR A 64 76.177 8.906 2.271 1.00 0.00 O ATOM 1019 CB TYR A 64 76.352 8.529 5.264 1.00 0.00 C ATOM 1020 CG TYR A 64 75.062 8.982 5.915 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.074 9.661 5.154 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.844 8.740 7.294 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.875 10.092 5.773 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.645 9.172 7.910 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.661 9.848 7.150 1.00 0.00 C ATOM 1026 OH TYR A 64 71.493 10.269 7.752 1.00 0.00 O ATOM 0 H TYR A 64 78.039 7.441 3.152 1.00 0.00 H new ATOM 0 HA TYR A 64 75.494 6.666 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.018 8.140 6.034 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.847 9.394 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.237 9.849 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.594 8.225 7.876 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.124 10.607 5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.481 8.986 8.961 1.00 0.00 H new ATOM 0 HH TYR A 64 71.506 10.021 8.700 1.00 0.00 H new ATOM 1036 N ILE A 65 74.364 7.680 2.571 1.00 0.00 N ATOM 1037 CA ILE A 65 73.633 8.364 1.454 1.00 0.00 C ATOM 1038 C ILE A 65 72.220 8.749 1.916 1.00 0.00 C ATOM 1039 O ILE A 65 71.488 7.932 2.446 1.00 0.00 O ATOM 1040 CB ILE A 65 73.581 7.345 0.299 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.012 7.016 -0.155 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.796 7.941 -0.883 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.983 5.968 -1.275 1.00 0.00 C ATOM 0 H ILE A 65 73.858 6.911 3.011 1.00 0.00 H new ATOM 0 HA ILE A 65 74.128 9.283 1.140 1.00 0.00 H new ATOM 0 HB ILE A 65 73.086 6.436 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.507 7.921 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.592 6.642 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.761 7.218 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.781 8.177 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.289 8.851 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.002 5.743 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.506 5.058 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.420 6.357 -2.123 1.00 0.00 H new ATOM 1055 N LEU A 66 71.843 9.989 1.715 1.00 0.00 N ATOM 1056 CA LEU A 66 70.454 10.429 2.056 1.00 0.00 C ATOM 1057 C LEU A 66 69.537 10.243 0.844 1.00 0.00 C ATOM 1058 O LEU A 66 69.906 10.554 -0.274 1.00 0.00 O ATOM 1059 CB LEU A 66 70.580 11.912 2.416 1.00 0.00 C ATOM 1060 CG LEU A 66 69.244 12.425 2.961 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.001 11.845 4.355 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.283 13.953 3.046 1.00 0.00 C ATOM 0 H LEU A 66 72.441 10.719 1.327 1.00 0.00 H new ATOM 0 HA LEU A 66 70.024 9.852 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.365 12.050 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.870 12.487 1.536 1.00 0.00 H new ATOM 0 HG LEU A 66 68.439 12.116 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.050 12.211 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.974 10.757 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.806 12.153 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.333 14.320 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.090 14.260 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.454 14.368 2.053 1.00 0.00 H new ATOM 1074 N PHE A 67 68.346 9.739 1.059 1.00 0.00 N ATOM 1075 CA PHE A 67 67.433 9.439 -0.086 1.00 0.00 C ATOM 1076 C PHE A 67 66.010 9.918 0.220 1.00 0.00 C ATOM 1077 O PHE A 67 65.461 9.624 1.265 1.00 0.00 O ATOM 1078 CB PHE A 67 67.462 7.915 -0.222 1.00 0.00 C ATOM 1079 CG PHE A 67 68.573 7.392 -1.105 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.849 8.011 -2.348 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.323 6.261 -0.698 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.872 7.502 -3.180 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.350 5.755 -1.529 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.624 6.375 -2.772 1.00 0.00 C ATOM 0 H PHE A 67 67.967 9.522 1.981 1.00 0.00 H new ATOM 0 HA PHE A 67 67.745 9.943 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.564 7.475 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.506 7.579 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.278 8.873 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.110 5.785 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 67 70.080 7.974 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.925 4.896 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.406 5.988 -3.408 1.00 0.00 H new ATOM 1094 N ARG A 68 65.417 10.656 -0.687 1.00 0.00 N ATOM 1095 CA ARG A 68 63.980 11.044 -0.528 1.00 0.00 C ATOM 1096 C ARG A 68 63.072 10.021 -1.222 1.00 0.00 C ATOM 1097 O ARG A 68 63.449 9.403 -2.203 1.00 0.00 O ATOM 1098 CB ARG A 68 63.856 12.412 -1.204 1.00 0.00 C ATOM 1099 CG ARG A 68 64.648 13.451 -0.407 1.00 0.00 C ATOM 1100 CD ARG A 68 64.430 14.840 -1.018 1.00 0.00 C ATOM 1101 NE ARG A 68 65.389 15.744 -0.305 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.253 17.056 -0.341 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.278 17.630 -1.008 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.112 17.802 0.299 1.00 0.00 N ATOM 0 H ARG A 68 65.867 11.007 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 68 63.680 11.078 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.231 12.359 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.808 12.706 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.328 13.446 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.709 13.201 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.622 14.832 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.401 15.172 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 68 66.163 15.337 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.602 17.059 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 64.197 18.647 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.876 17.369 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.019 18.818 0.280 1.00 0.00 H new ATOM 1118 N GLY A 69 61.873 9.841 -0.720 1.00 0.00 N ATOM 1119 CA GLY A 69 60.909 8.896 -1.370 1.00 0.00 C ATOM 1120 C GLY A 69 60.611 9.337 -2.813 1.00 0.00 C ATOM 1121 O GLY A 69 60.234 8.532 -3.644 1.00 0.00 O ATOM 0 H GLY A 69 61.520 10.309 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.323 7.888 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.983 8.860 -0.796 1.00 0.00 H new ATOM 1125 N SER A 70 60.774 10.607 -3.112 1.00 0.00 N ATOM 1126 CA SER A 70 60.419 11.115 -4.478 1.00 0.00 C ATOM 1127 C SER A 70 61.349 10.525 -5.546 1.00 0.00 C ATOM 1128 O SER A 70 60.905 10.144 -6.614 1.00 0.00 O ATOM 1129 CB SER A 70 60.593 12.633 -4.403 1.00 0.00 C ATOM 1130 OG SER A 70 59.820 13.142 -3.325 1.00 0.00 O ATOM 0 H SER A 70 61.137 11.312 -2.470 1.00 0.00 H new ATOM 0 HA SER A 70 59.405 10.830 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.644 12.883 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.279 13.093 -5.340 1.00 0.00 H new ATOM 0 HG SER A 70 59.931 14.114 -3.273 1.00 0.00 H new ATOM 1136 N ASP A 71 62.631 10.446 -5.270 1.00 0.00 N ATOM 1137 CA ASP A 71 63.597 9.974 -6.317 1.00 0.00 C ATOM 1138 C ASP A 71 63.640 8.442 -6.371 1.00 0.00 C ATOM 1139 O ASP A 71 63.836 7.864 -7.423 1.00 0.00 O ATOM 1140 CB ASP A 71 64.968 10.557 -5.931 1.00 0.00 C ATOM 1141 CG ASP A 71 65.399 10.066 -4.545 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.073 10.730 -3.577 1.00 0.00 O ATOM 1143 OD2 ASP A 71 66.049 9.036 -4.477 1.00 0.00 O ATOM 0 H ASP A 71 63.049 10.686 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 71 63.298 10.307 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.713 10.267 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.920 11.646 -5.937 1.00 0.00 H new ATOM 1148 N ILE A 72 63.460 7.782 -5.251 1.00 0.00 N ATOM 1149 CA ILE A 72 63.434 6.285 -5.261 1.00 0.00 C ATOM 1150 C ILE A 72 61.986 5.782 -5.208 1.00 0.00 C ATOM 1151 O ILE A 72 61.153 6.318 -4.503 1.00 0.00 O ATOM 1152 CB ILE A 72 64.264 5.875 -4.031 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.749 6.007 -4.395 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.977 4.420 -3.623 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.571 6.256 -3.135 1.00 0.00 C ATOM 0 H ILE A 72 63.331 8.213 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 72 63.852 5.847 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 72 64.001 6.520 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.093 5.099 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.889 6.827 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.578 4.161 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.920 4.312 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.229 3.754 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.624 6.349 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.235 7.176 -2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.442 5.421 -2.446 1.00 0.00 H new ATOM 1167 N LYS A 73 61.696 4.747 -5.961 1.00 0.00 N ATOM 1168 CA LYS A 73 60.275 4.363 -6.209 1.00 0.00 C ATOM 1169 C LYS A 73 59.886 3.103 -5.427 1.00 0.00 C ATOM 1170 O LYS A 73 58.713 2.867 -5.194 1.00 0.00 O ATOM 1171 CB LYS A 73 60.198 4.102 -7.713 1.00 0.00 C ATOM 1172 CG LYS A 73 58.734 3.958 -8.135 1.00 0.00 C ATOM 1173 CD LYS A 73 58.066 5.335 -8.144 1.00 0.00 C ATOM 1174 CE LYS A 73 56.635 5.207 -8.671 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.767 5.254 -10.153 1.00 0.00 N ATOM 0 H LYS A 73 62.388 4.151 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 73 59.588 5.143 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.665 4.922 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.750 3.196 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.673 3.506 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.211 3.293 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.058 5.753 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.635 6.022 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.176 4.274 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.005 6.018 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.360 6.142 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.773 5.204 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.260 4.448 -10.572 1.00 0.00 H new ATOM 1189 N ASP A 74 60.837 2.290 -5.016 1.00 0.00 N ATOM 1190 CA ASP A 74 60.457 1.029 -4.299 1.00 0.00 C ATOM 1191 C ASP A 74 61.544 0.602 -3.307 1.00 0.00 C ATOM 1192 O ASP A 74 62.719 0.615 -3.613 1.00 0.00 O ATOM 1193 CB ASP A 74 60.282 -0.020 -5.398 1.00 0.00 C ATOM 1194 CG ASP A 74 59.645 -1.280 -4.807 1.00 0.00 C ATOM 1195 OD1 ASP A 74 60.386 -2.144 -4.368 1.00 0.00 O ATOM 1196 OD2 ASP A 74 58.428 -1.359 -4.804 1.00 0.00 O ATOM 0 H ASP A 74 61.838 2.441 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 74 59.549 1.161 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.655 0.376 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.248 -0.262 -5.841 1.00 0.00 H new ATOM 1201 N ILE A 75 61.138 0.222 -2.117 1.00 0.00 N ATOM 1202 CA ILE A 75 62.109 -0.285 -1.098 1.00 0.00 C ATOM 1203 C ILE A 75 61.570 -1.576 -0.461 1.00 0.00 C ATOM 1204 O ILE A 75 60.382 -1.706 -0.225 1.00 0.00 O ATOM 1205 CB ILE A 75 62.228 0.849 -0.062 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.260 0.464 1.006 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.874 1.108 0.612 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.637 1.703 1.820 1.00 0.00 C ATOM 0 H ILE A 75 60.166 0.242 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 75 63.081 -0.533 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 75 62.546 1.756 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.851 -0.305 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.147 0.042 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.978 1.912 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.141 1.394 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.540 0.202 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.370 1.430 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.063 2.457 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.747 2.105 2.303 1.00 0.00 H new ATOM 1220 N ARG A 76 62.432 -2.525 -0.185 1.00 0.00 N ATOM 1221 CA ARG A 76 61.974 -3.806 0.440 1.00 0.00 C ATOM 1222 C ARG A 76 63.050 -4.355 1.384 1.00 0.00 C ATOM 1223 O ARG A 76 64.228 -4.318 1.081 1.00 0.00 O ATOM 1224 CB ARG A 76 61.748 -4.768 -0.728 1.00 0.00 C ATOM 1225 CG ARG A 76 60.565 -4.286 -1.573 1.00 0.00 C ATOM 1226 CD ARG A 76 60.194 -5.367 -2.593 1.00 0.00 C ATOM 1227 NE ARG A 76 59.196 -4.723 -3.509 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.911 -5.242 -4.688 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.480 -6.349 -5.111 1.00 0.00 N ATOM 1230 NH2 ARG A 76 58.038 -4.644 -5.452 1.00 0.00 N ATOM 0 H ARG A 76 63.434 -2.468 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 76 61.070 -3.668 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.646 -4.826 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.553 -5.772 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.711 -4.067 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.824 -3.360 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 76 61.072 -5.706 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.769 -6.242 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 76 58.728 -3.866 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 76 60.161 -6.829 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 76 59.240 -6.728 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.586 -3.786 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 76 57.808 -5.034 -6.366 1.00 0.00 H new ATOM 1244 N VAL A 77 62.649 -4.864 2.524 1.00 0.00 N ATOM 1245 CA VAL A 77 63.637 -5.447 3.491 1.00 0.00 C ATOM 1246 C VAL A 77 63.882 -6.922 3.151 1.00 0.00 C ATOM 1247 O VAL A 77 62.981 -7.625 2.731 1.00 0.00 O ATOM 1248 CB VAL A 77 62.985 -5.310 4.878 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.941 -5.832 5.955 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.672 -3.835 5.163 1.00 0.00 C ATOM 0 H VAL A 77 61.676 -4.902 2.829 1.00 0.00 H new ATOM 0 HA VAL A 77 64.602 -4.941 3.454 1.00 0.00 H new ATOM 0 HB VAL A 77 62.063 -5.891 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.474 -5.733 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.165 -6.882 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.865 -5.254 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.211 -3.744 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.595 -3.256 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.987 -3.455 4.405 1.00 0.00 H new ATOM 1260 N VAL A 78 65.094 -7.394 3.329 1.00 0.00 N ATOM 1261 CA VAL A 78 65.410 -8.815 2.983 1.00 0.00 C ATOM 1262 C VAL A 78 65.298 -9.693 4.236 1.00 0.00 C ATOM 1263 O VAL A 78 65.819 -9.360 5.284 1.00 0.00 O ATOM 1264 CB VAL A 78 66.855 -8.794 2.456 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.276 -10.206 2.034 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.951 -7.864 1.241 1.00 0.00 C ATOM 0 H VAL A 78 65.877 -6.855 3.699 1.00 0.00 H new ATOM 0 HA VAL A 78 64.723 -9.225 2.243 1.00 0.00 H new ATOM 0 HB VAL A 78 67.512 -8.435 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.300 -10.184 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.216 -10.875 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.612 -10.564 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.976 -7.853 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.286 -8.222 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.659 -6.855 1.531 1.00 0.00 H new