USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00642) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.46) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 34.711 -40.850 61.648 1.00 0.00 N ATOM 101 CA PHE A 9 33.702 -40.641 60.617 1.00 0.00 C ATOM 102 C PHE A 9 32.546 -39.798 61.150 1.00 0.00 C ATOM 103 O PHE A 9 31.837 -39.144 60.388 1.00 0.00 O ATOM 104 CB PHE A 9 33.174 -41.984 60.107 1.00 0.00 C ATOM 105 CG PHE A 9 33.287 -42.149 58.619 1.00 0.00 C ATOM 106 CD1 PHE A 9 32.615 -41.293 57.762 1.00 0.00 C ATOM 107 CD2 PHE A 9 34.067 -43.157 58.077 1.00 0.00 C ATOM 108 CE1 PHE A 9 32.716 -41.442 56.391 1.00 0.00 C ATOM 109 CE2 PHE A 9 34.172 -43.311 56.708 1.00 0.00 C ATOM 110 CZ PHE A 9 33.497 -42.451 55.863 1.00 0.00 C ATOM 0 HA PHE A 9 34.170 -40.106 59.791 1.00 0.00 H new ATOM 0 HB2 PHE A 9 33.722 -42.790 60.596 1.00 0.00 H new ATOM 0 HB3 PHE A 9 32.128 -42.088 60.397 1.00 0.00 H new ATOM 0 HD1 PHE A 9 32.005 -40.500 58.169 1.00 0.00 H new ATOM 0 HD2 PHE A 9 34.599 -43.831 58.732 1.00 0.00 H new ATOM 0 HE1 PHE A 9 32.185 -40.770 55.734 1.00 0.00 H new ATOM 0 HE2 PHE A 9 34.781 -44.103 56.299 1.00 0.00 H new ATOM 0 HZ PHE A 9 33.580 -42.568 54.793 1.00 0.00 H new ATOM 119 N GLY A 10 32.364 -39.820 62.466 1.00 0.00 N ATOM 120 CA GLY A 10 31.295 -39.055 63.081 1.00 0.00 C ATOM 121 C GLY A 10 31.377 -37.578 62.753 1.00 0.00 C ATOM 122 O GLY A 10 30.426 -36.997 62.232 1.00 0.00 O ATOM 0 H GLY A 10 32.938 -40.354 63.118 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.334 -39.446 62.747 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.334 -39.187 64.162 1.00 0.00 H new ATOM 126 N GLU A 11 32.517 -36.967 63.064 1.00 0.00 N ATOM 127 CA GLU A 11 32.717 -35.547 62.802 1.00 0.00 C ATOM 128 C GLU A 11 32.416 -35.215 61.342 1.00 0.00 C ATOM 129 O GLU A 11 31.645 -34.302 61.048 1.00 0.00 O ATOM 130 CB GLU A 11 34.152 -35.140 63.143 1.00 0.00 C ATOM 131 CG GLU A 11 34.243 -34.085 64.232 1.00 0.00 C ATOM 132 CD GLU A 11 35.183 -32.951 63.869 1.00 0.00 C ATOM 133 OE1 GLU A 11 36.413 -33.154 63.944 1.00 0.00 O ATOM 134 OE2 GLU A 11 34.688 -31.862 63.511 1.00 0.00 O ATOM 0 H GLU A 11 33.314 -37.433 63.497 1.00 0.00 H new ATOM 0 HA GLU A 11 32.028 -34.987 63.434 1.00 0.00 H new ATOM 0 HB2 GLU A 11 34.706 -36.024 63.458 1.00 0.00 H new ATOM 0 HB3 GLU A 11 34.638 -34.764 62.243 1.00 0.00 H new ATOM 0 HG2 GLU A 11 33.249 -33.681 64.425 1.00 0.00 H new ATOM 0 HG3 GLU A 11 34.582 -34.551 65.157 1.00 0.00 H new ATOM 139 N LYS A 12 33.030 -35.964 60.433 1.00 0.00 N ATOM 140 CA LYS A 12 32.830 -35.752 59.004 1.00 0.00 C ATOM 141 C LYS A 12 31.361 -35.924 58.630 1.00 0.00 C ATOM 142 O LYS A 12 30.803 -35.121 57.884 1.00 0.00 O ATOM 143 CB LYS A 12 33.692 -36.726 58.198 1.00 0.00 C ATOM 144 CG LYS A 12 35.141 -36.774 58.649 1.00 0.00 C ATOM 145 CD LYS A 12 36.092 -36.816 57.465 1.00 0.00 C ATOM 146 CE LYS A 12 37.364 -37.580 57.798 1.00 0.00 C ATOM 147 NZ LYS A 12 38.144 -36.914 58.878 1.00 0.00 N ATOM 0 H LYS A 12 33.671 -36.724 60.660 1.00 0.00 H new ATOM 0 HA LYS A 12 33.129 -34.731 58.767 1.00 0.00 H new ATOM 0 HB2 LYS A 12 33.264 -37.725 58.274 1.00 0.00 H new ATOM 0 HB3 LYS A 12 33.657 -36.443 57.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 35.361 -35.901 59.263 1.00 0.00 H new ATOM 0 HG3 LYS A 12 35.299 -37.652 59.275 1.00 0.00 H new ATOM 0 HD2 LYS A 12 35.596 -37.286 56.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 36.345 -35.799 57.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 37.109 -38.594 58.107 1.00 0.00 H new ATOM 0 HE3 LYS A 12 37.981 -37.665 56.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 39.028 -37.437 59.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 38.366 -35.938 58.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 37.583 -36.901 59.754 1.00 0.00 H new ATOM 157 N ALA A 13 30.741 -36.976 59.155 1.00 0.00 N ATOM 158 CA ALA A 13 29.337 -37.251 58.878 1.00 0.00 C ATOM 159 C ALA A 13 28.472 -36.029 59.165 1.00 0.00 C ATOM 160 O ALA A 13 27.695 -35.592 58.315 1.00 0.00 O ATOM 161 CB ALA A 13 28.861 -38.442 59.697 1.00 0.00 C ATOM 0 H ALA A 13 31.189 -37.651 59.774 1.00 0.00 H new ATOM 0 HA ALA A 13 29.241 -37.491 57.819 1.00 0.00 H new ATOM 0 HB1 ALA A 13 27.811 -38.636 59.480 1.00 0.00 H new ATOM 0 HB2 ALA A 13 29.453 -39.320 59.440 1.00 0.00 H new ATOM 0 HB3 ALA A 13 28.978 -38.224 60.758 1.00 0.00 H new ATOM 167 N SER A 14 28.608 -35.482 60.370 1.00 0.00 N ATOM 168 CA SER A 14 27.834 -34.313 60.771 1.00 0.00 C ATOM 169 C SER A 14 28.147 -33.121 59.873 1.00 0.00 C ATOM 170 O SER A 14 27.311 -32.239 59.682 1.00 0.00 O ATOM 171 CB SER A 14 28.128 -33.958 62.231 1.00 0.00 C ATOM 172 OG SER A 14 26.984 -33.410 62.861 1.00 0.00 O ATOM 0 H SER A 14 29.247 -35.830 61.085 1.00 0.00 H new ATOM 0 HA SER A 14 26.776 -34.555 60.669 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.451 -34.850 62.768 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.950 -33.244 62.277 1.00 0.00 H new ATOM 0 HG SER A 14 27.196 -33.193 63.793 1.00 0.00 H new ATOM 177 N GLU A 15 29.359 -33.102 59.323 1.00 0.00 N ATOM 178 CA GLU A 15 29.781 -32.019 58.445 1.00 0.00 C ATOM 179 C GLU A 15 29.189 -32.184 57.049 1.00 0.00 C ATOM 180 O GLU A 15 28.845 -31.205 56.388 1.00 0.00 O ATOM 181 CB GLU A 15 31.308 -31.968 58.361 1.00 0.00 C ATOM 182 CG GLU A 15 31.968 -31.376 59.595 1.00 0.00 C ATOM 183 CD GLU A 15 32.862 -30.197 59.270 1.00 0.00 C ATOM 184 OE1 GLU A 15 33.606 -30.273 58.270 1.00 0.00 O ATOM 185 OE2 GLU A 15 32.817 -29.195 60.015 1.00 0.00 O ATOM 0 H GLU A 15 30.064 -33.824 59.471 1.00 0.00 H new ATOM 0 HA GLU A 15 29.415 -31.082 58.865 1.00 0.00 H new ATOM 0 HB2 GLU A 15 31.688 -32.978 58.205 1.00 0.00 H new ATOM 0 HB3 GLU A 15 31.596 -31.381 57.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.197 -31.060 60.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 32.556 -32.147 60.093 1.00 0.00 H new ATOM 190 N ALA A 16 29.073 -33.433 56.608 1.00 0.00 N ATOM 191 CA ALA A 16 28.521 -33.729 55.291 1.00 0.00 C ATOM 192 C ALA A 16 27.055 -33.322 55.206 1.00 0.00 C ATOM 193 O ALA A 16 26.607 -32.783 54.192 1.00 0.00 O ATOM 194 CB ALA A 16 28.679 -35.210 54.974 1.00 0.00 C ATOM 0 H ALA A 16 29.354 -34.255 57.143 1.00 0.00 H new ATOM 0 HA ALA A 16 29.075 -33.149 54.553 1.00 0.00 H new ATOM 0 HB1 ALA A 16 28.263 -35.417 53.988 1.00 0.00 H new ATOM 0 HB2 ALA A 16 29.737 -35.473 54.984 1.00 0.00 H new ATOM 0 HB3 ALA A 16 28.151 -35.801 55.722 1.00 0.00 H new ATOM 200 N LEU A 17 26.310 -33.581 56.276 1.00 0.00 N ATOM 201 CA LEU A 17 24.893 -33.242 56.322 1.00 0.00 C ATOM 202 C LEU A 17 24.699 -31.751 56.583 1.00 0.00 C ATOM 203 O LEU A 17 23.815 -31.118 56.004 1.00 0.00 O ATOM 204 CB LEU A 17 24.187 -34.056 57.408 1.00 0.00 C ATOM 205 CG LEU A 17 24.766 -33.938 58.819 1.00 0.00 C ATOM 206 CD1 LEU A 17 24.104 -32.794 59.571 1.00 0.00 C ATOM 207 CD2 LEU A 17 24.596 -35.245 59.576 1.00 0.00 C ATOM 0 H LEU A 17 26.665 -34.025 57.123 1.00 0.00 H new ATOM 0 HA LEU A 17 24.456 -33.484 55.353 1.00 0.00 H new ATOM 0 HB2 LEU A 17 23.141 -33.752 57.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 24.205 -35.106 57.116 1.00 0.00 H new ATOM 0 HG LEU A 17 25.832 -33.725 58.738 1.00 0.00 H new ATOM 0 HD11 LEU A 17 24.527 -32.724 60.573 1.00 0.00 H new ATOM 0 HD12 LEU A 17 24.277 -31.859 59.038 1.00 0.00 H new ATOM 0 HD13 LEU A 17 23.032 -32.978 59.642 1.00 0.00 H new ATOM 0 HD21 LEU A 17 25.014 -35.142 60.578 1.00 0.00 H new ATOM 0 HD22 LEU A 17 23.536 -35.489 59.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 25.116 -36.043 59.046 1.00 0.00 H new ATOM 218 N LYS A 18 25.532 -31.194 57.455 1.00 0.00 N ATOM 219 CA LYS A 18 25.455 -29.778 57.791 1.00 0.00 C ATOM 220 C LYS A 18 25.464 -28.919 56.530 1.00 0.00 C ATOM 221 O LYS A 18 25.881 -29.353 55.457 1.00 0.00 O ATOM 222 CB LYS A 18 26.623 -29.383 58.698 1.00 0.00 C ATOM 223 CG LYS A 18 26.215 -29.127 60.138 1.00 0.00 C ATOM 224 CD LYS A 18 26.915 -27.902 60.705 1.00 0.00 C ATOM 225 CE LYS A 18 26.514 -27.654 62.152 1.00 0.00 C ATOM 226 NZ LYS A 18 27.588 -28.056 63.102 1.00 0.00 N ATOM 0 H LYS A 18 26.269 -31.703 57.943 1.00 0.00 H new ATOM 0 HA LYS A 18 24.518 -29.606 58.321 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.372 -30.174 58.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.095 -28.486 58.298 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.135 -28.988 60.192 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.455 -29.999 60.746 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.995 -28.037 60.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.668 -27.028 60.102 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.285 -26.597 62.289 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.604 -28.210 62.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.276 -27.871 64.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.790 -29.070 62.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.449 -27.508 62.904 1.00 0.00 H new ATOM 311 N TYR A 25 20.183 -15.970 50.393 1.00 0.00 N ATOM 312 CA TYR A 25 20.340 -15.015 51.482 1.00 0.00 C ATOM 313 C TYR A 25 21.335 -15.529 52.518 1.00 0.00 C ATOM 314 O TYR A 25 22.070 -14.753 53.128 1.00 0.00 O ATOM 315 CB TYR A 25 18.991 -14.739 52.147 1.00 0.00 C ATOM 316 CG TYR A 25 18.722 -13.271 52.387 1.00 0.00 C ATOM 317 CD1 TYR A 25 18.592 -12.386 51.323 1.00 0.00 C ATOM 318 CD2 TYR A 25 18.602 -12.768 53.675 1.00 0.00 C ATOM 319 CE1 TYR A 25 18.347 -11.043 51.536 1.00 0.00 C ATOM 320 CE2 TYR A 25 18.355 -11.426 53.899 1.00 0.00 C ATOM 321 CZ TYR A 25 18.228 -10.569 52.826 1.00 0.00 C ATOM 322 OH TYR A 25 17.985 -9.232 53.044 1.00 0.00 O ATOM 0 HA TYR A 25 20.726 -14.086 51.063 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.197 -15.147 51.522 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.950 -15.267 53.099 1.00 0.00 H new ATOM 0 HD1 TYR A 25 18.684 -12.755 50.312 1.00 0.00 H new ATOM 0 HD2 TYR A 25 18.703 -13.437 54.517 1.00 0.00 H new ATOM 0 HE1 TYR A 25 18.249 -10.369 50.698 1.00 0.00 H new ATOM 0 HE2 TYR A 25 18.262 -11.051 54.908 1.00 0.00 H new ATOM 0 HH TYR A 25 17.928 -9.063 54.008 1.00 0.00 H new ATOM 331 N ALA A 26 21.351 -16.844 52.711 1.00 0.00 N ATOM 332 CA ALA A 26 22.257 -17.464 53.671 1.00 0.00 C ATOM 333 C ALA A 26 23.694 -17.006 53.445 1.00 0.00 C ATOM 334 O ALA A 26 24.401 -16.663 54.392 1.00 0.00 O ATOM 335 CB ALA A 26 22.163 -18.979 53.582 1.00 0.00 C ATOM 0 H ALA A 26 20.747 -17.500 52.216 1.00 0.00 H new ATOM 0 HA ALA A 26 21.957 -17.151 54.671 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.845 -19.429 54.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.143 -19.294 53.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 22.434 -19.302 52.577 1.00 0.00 H new ATOM 341 N GLU A 27 24.119 -17.005 52.186 1.00 0.00 N ATOM 342 CA GLU A 27 25.473 -16.590 51.837 1.00 0.00 C ATOM 343 C GLU A 27 25.599 -15.070 51.856 1.00 0.00 C ATOM 344 O GLU A 27 26.627 -14.527 52.256 1.00 0.00 O ATOM 345 CB GLU A 27 25.855 -17.129 50.457 1.00 0.00 C ATOM 346 CG GLU A 27 26.922 -18.210 50.499 1.00 0.00 C ATOM 347 CD GLU A 27 27.886 -18.124 49.332 1.00 0.00 C ATOM 348 OE1 GLU A 27 28.211 -16.992 48.914 1.00 0.00 O ATOM 349 OE2 GLU A 27 28.316 -19.187 48.837 1.00 0.00 O ATOM 0 H GLU A 27 23.546 -17.287 51.391 1.00 0.00 H new ATOM 0 HA GLU A 27 26.155 -17.002 52.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 24.964 -17.529 49.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.210 -16.304 49.840 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.479 -18.129 51.432 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.442 -19.189 50.498 1.00 0.00 H new ATOM 354 N GLN A 28 24.543 -14.389 51.419 1.00 0.00 N ATOM 355 CA GLN A 28 24.536 -12.932 51.382 1.00 0.00 C ATOM 356 C GLN A 28 24.843 -12.353 52.760 1.00 0.00 C ATOM 357 O GLN A 28 25.726 -11.510 52.907 1.00 0.00 O ATOM 358 CB GLN A 28 23.181 -12.419 50.890 1.00 0.00 C ATOM 359 CG GLN A 28 22.786 -12.960 49.526 1.00 0.00 C ATOM 360 CD GLN A 28 21.672 -12.159 48.881 1.00 0.00 C ATOM 361 OE1 GLN A 28 21.776 -10.943 48.725 1.00 0.00 O ATOM 362 NE2 GLN A 28 20.596 -12.840 48.502 1.00 0.00 N ATOM 0 H GLN A 28 23.682 -14.824 51.086 1.00 0.00 H new ATOM 0 HA GLN A 28 25.312 -12.607 50.689 1.00 0.00 H new ATOM 0 HB2 GLN A 28 22.414 -12.690 51.615 1.00 0.00 H new ATOM 0 HB3 GLN A 28 23.208 -11.330 50.846 1.00 0.00 H new ATOM 0 HG2 GLN A 28 23.657 -12.956 48.871 1.00 0.00 H new ATOM 0 HG3 GLN A 28 22.470 -13.998 49.629 1.00 0.00 H new ATOM 0 HE21 GLN A 28 20.552 -13.848 48.651 1.00 0.00 H new ATOM 0 HE22 GLN A 28 19.814 -12.355 48.062 1.00 0.00 H new ATOM 369 N GLY A 29 24.105 -12.811 53.767 1.00 0.00 N ATOM 370 CA GLY A 29 24.313 -12.326 55.119 1.00 0.00 C ATOM 371 C GLY A 29 25.713 -12.606 55.626 1.00 0.00 C ATOM 372 O GLY A 29 26.400 -11.704 56.105 1.00 0.00 O ATOM 0 H GLY A 29 23.367 -13.509 53.671 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.127 -11.252 55.149 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.588 -12.794 55.785 1.00 0.00 H new ATOM 376 N LYS A 30 26.139 -13.861 55.525 1.00 0.00 N ATOM 377 CA LYS A 30 27.466 -14.259 55.975 1.00 0.00 C ATOM 378 C LYS A 30 28.537 -13.345 55.390 1.00 0.00 C ATOM 379 O LYS A 30 29.313 -12.734 56.123 1.00 0.00 O ATOM 380 CB LYS A 30 27.748 -15.711 55.583 1.00 0.00 C ATOM 381 CG LYS A 30 26.767 -16.704 56.183 1.00 0.00 C ATOM 382 CD LYS A 30 26.754 -18.011 55.407 1.00 0.00 C ATOM 383 CE LYS A 30 27.555 -19.090 56.119 1.00 0.00 C ATOM 384 NZ LYS A 30 27.575 -20.366 55.350 1.00 0.00 N ATOM 0 H LYS A 30 25.582 -14.621 55.134 1.00 0.00 H new ATOM 0 HA LYS A 30 27.494 -14.172 57.061 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.721 -15.797 54.497 1.00 0.00 H new ATOM 0 HB3 LYS A 30 28.758 -15.974 55.899 1.00 0.00 H new ATOM 0 HG2 LYS A 30 27.034 -16.899 57.222 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.766 -16.272 56.187 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.725 -18.347 55.276 1.00 0.00 H new ATOM 0 HD3 LYS A 30 27.166 -17.848 54.411 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.577 -18.742 56.272 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.128 -19.268 57.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.131 -21.075 55.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 26.602 -20.712 55.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.006 -20.203 54.418 1.00 0.00 H new ATOM 394 N GLU A 31 28.571 -13.256 54.063 1.00 0.00 N ATOM 395 CA GLU A 31 29.547 -12.416 53.380 1.00 0.00 C ATOM 396 C GLU A 31 29.384 -10.954 53.784 1.00 0.00 C ATOM 397 O GLU A 31 30.340 -10.179 53.751 1.00 0.00 O ATOM 398 CB GLU A 31 29.402 -12.557 51.863 1.00 0.00 C ATOM 399 CG GLU A 31 29.761 -13.940 51.343 1.00 0.00 C ATOM 400 CD GLU A 31 30.586 -13.888 50.073 1.00 0.00 C ATOM 401 OE1 GLU A 31 31.495 -13.036 49.991 1.00 0.00 O ATOM 402 OE2 GLU A 31 30.324 -14.701 49.161 1.00 0.00 O ATOM 0 H GLU A 31 27.935 -13.755 53.441 1.00 0.00 H new ATOM 0 HA GLU A 31 30.543 -12.747 53.675 1.00 0.00 H new ATOM 0 HB2 GLU A 31 28.374 -12.328 51.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.038 -11.818 51.375 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.315 -14.480 52.110 1.00 0.00 H new ATOM 0 HG3 GLU A 31 28.846 -14.502 51.155 1.00 0.00 H new ATOM 407 N TYR A 32 28.166 -10.585 54.163 1.00 0.00 N ATOM 408 CA TYR A 32 27.875 -9.215 54.571 1.00 0.00 C ATOM 409 C TYR A 32 28.620 -8.858 55.853 1.00 0.00 C ATOM 410 O TYR A 32 29.204 -7.780 55.966 1.00 0.00 O ATOM 411 CB TYR A 32 26.371 -9.028 54.773 1.00 0.00 C ATOM 412 CG TYR A 32 25.963 -7.590 54.994 1.00 0.00 C ATOM 413 CD1 TYR A 32 25.916 -7.047 56.271 1.00 0.00 C ATOM 414 CD2 TYR A 32 25.624 -6.771 53.922 1.00 0.00 C ATOM 415 CE1 TYR A 32 25.543 -5.734 56.478 1.00 0.00 C ATOM 416 CE2 TYR A 32 25.251 -5.455 54.119 1.00 0.00 C ATOM 417 CZ TYR A 32 25.211 -4.942 55.398 1.00 0.00 C ATOM 418 OH TYR A 32 24.840 -3.631 55.598 1.00 0.00 O ATOM 0 H TYR A 32 27.364 -11.215 54.196 1.00 0.00 H new ATOM 0 HA TYR A 32 28.213 -8.548 53.778 1.00 0.00 H new ATOM 0 HB2 TYR A 32 25.845 -9.416 53.901 1.00 0.00 H new ATOM 0 HB3 TYR A 32 26.051 -9.623 55.629 1.00 0.00 H new ATOM 0 HD1 TYR A 32 26.176 -7.664 57.119 1.00 0.00 H new ATOM 0 HD2 TYR A 32 25.653 -7.170 52.919 1.00 0.00 H new ATOM 0 HE1 TYR A 32 25.511 -5.329 57.479 1.00 0.00 H new ATOM 0 HE2 TYR A 32 24.992 -4.832 53.276 1.00 0.00 H new ATOM 0 HH TYR A 32 24.640 -3.212 54.735 1.00 0.00 H new ATOM 427 N ILE A 33 28.594 -9.772 56.817 1.00 0.00 N ATOM 428 CA ILE A 33 29.267 -9.555 58.093 1.00 0.00 C ATOM 429 C ILE A 33 30.781 -9.650 57.938 1.00 0.00 C ATOM 430 O ILE A 33 31.529 -8.901 58.567 1.00 0.00 O ATOM 431 CB ILE A 33 28.807 -10.573 59.152 1.00 0.00 C ATOM 432 CG1 ILE A 33 27.302 -10.819 59.035 1.00 0.00 C ATOM 433 CG2 ILE A 33 29.161 -10.082 60.548 1.00 0.00 C ATOM 434 CD1 ILE A 33 26.675 -11.354 60.303 1.00 0.00 C ATOM 0 H ILE A 33 28.115 -10.669 56.740 1.00 0.00 H new ATOM 0 HA ILE A 33 28.999 -8.552 58.425 1.00 0.00 H new ATOM 0 HB ILE A 33 29.325 -11.516 58.977 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.810 -9.885 58.762 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.120 -11.524 58.224 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.829 -10.813 61.286 1.00 0.00 H new ATOM 0 HG22 ILE A 33 30.241 -9.953 60.625 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.667 -9.128 60.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.607 -11.504 60.145 1.00 0.00 H new ATOM 0 HD12 ILE A 33 27.140 -12.304 60.566 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.825 -10.640 61.113 1.00 0.00 H new ATOM 445 N THR A 34 31.228 -10.574 57.093 1.00 0.00 N ATOM 446 CA THR A 34 32.653 -10.767 56.854 1.00 0.00 C ATOM 447 C THR A 34 33.275 -9.531 56.212 1.00 0.00 C ATOM 448 O THR A 34 34.435 -9.206 56.467 1.00 0.00 O ATOM 449 CB THR A 34 32.911 -11.986 55.948 1.00 0.00 C ATOM 450 OG1 THR A 34 33.696 -12.958 56.647 1.00 0.00 O ATOM 451 CG2 THR A 34 33.626 -11.570 54.672 1.00 0.00 C ATOM 0 H THR A 34 30.623 -11.201 56.562 1.00 0.00 H new ATOM 0 HA THR A 34 33.116 -10.941 57.826 1.00 0.00 H new ATOM 0 HB THR A 34 31.949 -12.422 55.680 1.00 0.00 H new ATOM 0 HG1 THR A 34 33.854 -13.730 56.065 1.00 0.00 H new ATOM 0 HG21 THR A 34 33.797 -12.447 54.048 1.00 0.00 H new ATOM 0 HG22 THR A 34 33.012 -10.852 54.128 1.00 0.00 H new ATOM 0 HG23 THR A 34 34.582 -11.111 54.924 1.00 0.00 H new ATOM 459 N ASP A 35 32.496 -8.846 55.382 1.00 0.00 N ATOM 460 CA ASP A 35 32.970 -7.646 54.706 1.00 0.00 C ATOM 461 C ASP A 35 33.071 -6.476 55.681 1.00 0.00 C ATOM 462 O ASP A 35 33.909 -5.589 55.520 1.00 0.00 O ATOM 463 CB ASP A 35 32.037 -7.283 53.550 1.00 0.00 C ATOM 464 CG ASP A 35 32.792 -6.941 52.281 1.00 0.00 C ATOM 465 OD1 ASP A 35 33.198 -5.770 52.127 1.00 0.00 O ATOM 466 OD2 ASP A 35 32.978 -7.846 51.440 1.00 0.00 O ATOM 0 H ASP A 35 31.534 -9.102 55.162 1.00 0.00 H new ATOM 0 HA ASP A 35 33.964 -7.852 54.309 1.00 0.00 H new ATOM 0 HB2 ASP A 35 31.364 -8.118 53.355 1.00 0.00 H new ATOM 0 HB3 ASP A 35 31.417 -6.435 53.840 1.00 0.00 H new ATOM 470 N LYS A 36 32.209 -6.481 56.693 1.00 0.00 N ATOM 471 CA LYS A 36 32.198 -5.422 57.696 1.00 0.00 C ATOM 472 C LYS A 36 33.399 -5.545 58.628 1.00 0.00 C ATOM 473 O LYS A 36 34.054 -4.553 58.947 1.00 0.00 O ATOM 474 CB LYS A 36 30.902 -5.472 58.506 1.00 0.00 C ATOM 475 CG LYS A 36 29.652 -5.261 57.670 1.00 0.00 C ATOM 476 CD LYS A 36 29.129 -3.839 57.794 1.00 0.00 C ATOM 477 CE LYS A 36 27.618 -3.815 57.965 1.00 0.00 C ATOM 478 NZ LYS A 36 27.172 -2.645 58.770 1.00 0.00 N ATOM 0 H LYS A 36 31.508 -7.208 56.840 1.00 0.00 H new ATOM 0 HA LYS A 36 32.258 -4.464 57.179 1.00 0.00 H new ATOM 0 HB2 LYS A 36 30.834 -6.437 59.008 1.00 0.00 H new ATOM 0 HB3 LYS A 36 30.941 -4.710 59.285 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.872 -5.479 56.625 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.880 -5.962 57.986 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.601 -3.350 58.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.405 -3.270 56.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.142 -3.785 56.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.292 -4.735 58.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.136 -2.663 58.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.607 -2.687 59.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.461 -1.766 58.295 1.00 0.00 H new ATOM 488 N ALA A 37 33.684 -6.769 59.061 1.00 0.00 N ATOM 489 CA ALA A 37 34.809 -7.020 59.953 1.00 0.00 C ATOM 490 C ALA A 37 36.137 -6.768 59.248 1.00 0.00 C ATOM 491 O ALA A 37 37.149 -6.485 59.892 1.00 0.00 O ATOM 492 CB ALA A 37 34.752 -8.447 60.483 1.00 0.00 C ATOM 0 H ALA A 37 33.152 -7.602 58.809 1.00 0.00 H new ATOM 0 HA ALA A 37 34.738 -6.328 60.792 1.00 0.00 H new ATOM 0 HB1 ALA A 37 35.598 -8.622 61.148 1.00 0.00 H new ATOM 0 HB2 ALA A 37 33.822 -8.594 61.032 1.00 0.00 H new ATOM 0 HB3 ALA A 37 34.796 -9.147 59.649 1.00 0.00 H new ATOM 498 N ASP A 38 36.128 -6.872 57.925 1.00 0.00 N ATOM 499 CA ASP A 38 37.332 -6.653 57.132 1.00 0.00 C ATOM 500 C ASP A 38 37.590 -5.164 56.933 1.00 0.00 C ATOM 501 O ASP A 38 38.727 -4.701 57.025 1.00 0.00 O ATOM 502 CB ASP A 38 37.209 -7.349 55.775 1.00 0.00 C ATOM 503 CG ASP A 38 38.480 -8.071 55.374 1.00 0.00 C ATOM 504 OD1 ASP A 38 39.460 -7.386 55.009 1.00 0.00 O ATOM 505 OD2 ASP A 38 38.497 -9.316 55.429 1.00 0.00 O ATOM 0 H ASP A 38 35.300 -7.107 57.378 1.00 0.00 H new ATOM 0 HA ASP A 38 38.176 -7.079 57.675 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.386 -8.062 55.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 36.959 -6.611 55.013 1.00 0.00 H new ATOM 509 N LYS A 39 36.526 -4.416 56.658 1.00 0.00 N ATOM 510 CA LYS A 39 36.636 -2.978 56.446 1.00 0.00 C ATOM 511 C LYS A 39 37.017 -2.264 57.739 1.00 0.00 C ATOM 512 O LYS A 39 37.953 -1.465 57.766 1.00 0.00 O ATOM 513 CB LYS A 39 35.314 -2.419 55.913 1.00 0.00 C ATOM 514 CG LYS A 39 35.303 -2.216 54.407 1.00 0.00 C ATOM 515 CD LYS A 39 35.105 -0.755 54.043 1.00 0.00 C ATOM 516 CE LYS A 39 34.398 -0.605 52.704 1.00 0.00 C ATOM 517 NZ LYS A 39 33.512 0.591 52.675 1.00 0.00 N ATOM 0 H LYS A 39 35.578 -4.783 56.577 1.00 0.00 H new ATOM 0 HA LYS A 39 37.422 -2.803 55.711 1.00 0.00 H new ATOM 0 HB2 LYS A 39 34.506 -3.098 56.186 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.109 -1.466 56.401 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.242 -2.573 53.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.506 -2.813 53.964 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.522 -0.261 54.821 1.00 0.00 H new ATOM 0 HD3 LYS A 39 36.072 -0.255 54.003 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.139 -0.527 51.909 1.00 0.00 H new ATOM 0 HE3 LYS A 39 33.808 -1.499 52.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 33.049 0.658 51.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 32.789 0.505 53.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 34.079 1.447 52.841 1.00 0.00 H new ATOM 527 N VAL A 40 36.287 -2.559 58.811 1.00 0.00 N ATOM 528 CA VAL A 40 36.550 -1.949 60.107 1.00 0.00 C ATOM 529 C VAL A 40 37.976 -2.230 60.568 1.00 0.00 C ATOM 530 O VAL A 40 38.625 -1.374 61.171 1.00 0.00 O ATOM 531 CB VAL A 40 35.567 -2.458 61.178 1.00 0.00 C ATOM 532 CG1 VAL A 40 35.646 -3.971 61.299 1.00 0.00 C ATOM 533 CG2 VAL A 40 35.847 -1.791 62.517 1.00 0.00 C ATOM 0 H VAL A 40 35.508 -3.218 58.806 1.00 0.00 H new ATOM 0 HA VAL A 40 36.416 -0.874 59.983 1.00 0.00 H new ATOM 0 HB VAL A 40 34.554 -2.195 60.872 1.00 0.00 H new ATOM 0 HG11 VAL A 40 34.945 -4.312 62.060 1.00 0.00 H new ATOM 0 HG12 VAL A 40 35.392 -4.426 60.342 1.00 0.00 H new ATOM 0 HG13 VAL A 40 36.658 -4.261 61.582 1.00 0.00 H new ATOM 0 HG21 VAL A 40 35.144 -2.162 63.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 36.865 -2.021 62.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 35.734 -0.712 62.417 1.00 0.00 H new ATOM 543 N ALA A 41 38.459 -3.433 60.278 1.00 0.00 N ATOM 544 CA ALA A 41 39.809 -3.828 60.660 1.00 0.00 C ATOM 545 C ALA A 41 40.847 -3.191 59.741 1.00 0.00 C ATOM 546 O ALA A 41 41.832 -2.620 60.204 1.00 0.00 O ATOM 547 CB ALA A 41 39.942 -5.344 60.642 1.00 0.00 C ATOM 0 H ALA A 41 37.935 -4.152 59.779 1.00 0.00 H new ATOM 0 HA ALA A 41 39.992 -3.472 61.674 1.00 0.00 H new ATOM 0 HB1 ALA A 41 40.956 -5.624 60.929 1.00 0.00 H new ATOM 0 HB2 ALA A 41 39.232 -5.780 61.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 39.734 -5.716 59.639 1.00 0.00 H new ATOM 553 N GLY A 42 40.619 -3.297 58.435 1.00 0.00 N ATOM 554 CA GLY A 42 41.545 -2.729 57.473 1.00 0.00 C ATOM 555 C GLY A 42 41.641 -1.220 57.583 1.00 0.00 C ATOM 556 O GLY A 42 42.707 -0.641 57.377 1.00 0.00 O ATOM 0 H GLY A 42 39.810 -3.766 58.027 1.00 0.00 H new ATOM 0 HA2 GLY A 42 42.533 -3.165 57.623 1.00 0.00 H new ATOM 0 HA3 GLY A 42 41.228 -2.997 56.465 1.00 0.00 H new ATOM 560 N LYS A 43 40.522 -0.580 57.907 1.00 0.00 N ATOM 561 CA LYS A 43 40.483 0.872 58.044 1.00 0.00 C ATOM 562 C LYS A 43 41.436 1.342 59.137 1.00 0.00 C ATOM 563 O LYS A 43 41.845 2.503 59.163 1.00 0.00 O ATOM 564 CB LYS A 43 39.060 1.338 58.359 1.00 0.00 C ATOM 565 CG LYS A 43 38.307 1.856 57.146 1.00 0.00 C ATOM 566 CD LYS A 43 38.985 3.077 56.549 1.00 0.00 C ATOM 567 CE LYS A 43 38.098 4.310 56.643 1.00 0.00 C ATOM 568 NZ LYS A 43 37.386 4.578 55.363 1.00 0.00 N ATOM 0 H LYS A 43 39.630 -1.044 58.080 1.00 0.00 H new ATOM 0 HA LYS A 43 40.801 1.309 57.097 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.503 0.508 58.795 1.00 0.00 H new ATOM 0 HB3 LYS A 43 39.103 2.124 59.113 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.243 1.070 56.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.286 2.109 57.431 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.925 3.263 57.069 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.231 2.884 55.505 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.370 4.174 57.442 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.705 5.175 56.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.792 5.425 55.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.081 4.733 54.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.787 3.763 55.122 1.00 0.00 H new ATOM 675 N GLY A 51 54.910 -0.342 57.931 1.00 0.00 N ATOM 676 CA GLY A 51 54.498 -1.469 57.114 1.00 0.00 C ATOM 677 C GLY A 51 55.602 -1.953 56.196 1.00 0.00 C ATOM 678 O GLY A 51 55.357 -2.744 55.283 1.00 0.00 O ATOM 0 HA2 GLY A 51 54.183 -2.287 57.761 1.00 0.00 H new ATOM 0 HA3 GLY A 51 53.632 -1.184 56.517 1.00 0.00 H new ATOM 682 N VAL A 52 56.819 -1.477 56.434 1.00 0.00 N ATOM 683 CA VAL A 52 57.964 -1.868 55.620 1.00 0.00 C ATOM 684 C VAL A 52 58.164 -3.379 55.638 1.00 0.00 C ATOM 685 O VAL A 52 58.735 -3.951 54.710 1.00 0.00 O ATOM 686 CB VAL A 52 59.256 -1.183 56.105 1.00 0.00 C ATOM 687 CG1 VAL A 52 60.425 -1.545 55.201 1.00 0.00 C ATOM 688 CG2 VAL A 52 59.069 0.324 56.172 1.00 0.00 C ATOM 0 H VAL A 52 57.038 -0.820 57.183 1.00 0.00 H new ATOM 0 HA VAL A 52 57.751 -1.547 54.600 1.00 0.00 H new ATOM 0 HB VAL A 52 59.480 -1.542 57.109 1.00 0.00 H new ATOM 0 HG11 VAL A 52 61.329 -1.052 55.560 1.00 0.00 H new ATOM 0 HG12 VAL A 52 60.572 -2.625 55.212 1.00 0.00 H new ATOM 0 HG13 VAL A 52 60.213 -1.218 54.183 1.00 0.00 H new ATOM 0 HG21 VAL A 52 59.992 0.790 56.517 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.818 0.704 55.182 1.00 0.00 H new ATOM 0 HG23 VAL A 52 58.262 0.560 56.866 1.00 0.00 H new ATOM 698 N PHE A 53 57.688 -4.018 56.700 1.00 0.00 N ATOM 699 CA PHE A 53 57.814 -5.465 56.841 1.00 0.00 C ATOM 700 C PHE A 53 56.849 -6.188 55.905 1.00 0.00 C ATOM 701 O PHE A 53 57.252 -7.059 55.135 1.00 0.00 O ATOM 702 CB PHE A 53 57.548 -5.883 58.289 1.00 0.00 C ATOM 703 CG PHE A 53 58.732 -6.526 58.954 1.00 0.00 C ATOM 704 CD1 PHE A 53 59.788 -5.755 59.411 1.00 0.00 C ATOM 705 CD2 PHE A 53 58.787 -7.900 59.122 1.00 0.00 C ATOM 706 CE1 PHE A 53 60.878 -6.344 60.023 1.00 0.00 C ATOM 707 CE2 PHE A 53 59.875 -8.494 59.734 1.00 0.00 C ATOM 708 CZ PHE A 53 60.921 -7.715 60.186 1.00 0.00 C ATOM 0 H PHE A 53 57.212 -3.558 57.476 1.00 0.00 H new ATOM 0 HA PHE A 53 58.832 -5.744 56.571 1.00 0.00 H new ATOM 0 HB2 PHE A 53 57.251 -5.006 58.863 1.00 0.00 H new ATOM 0 HB3 PHE A 53 56.708 -6.577 58.310 1.00 0.00 H new ATOM 0 HD1 PHE A 53 59.759 -4.682 59.288 1.00 0.00 H new ATOM 0 HD2 PHE A 53 57.971 -8.514 58.771 1.00 0.00 H new ATOM 0 HE1 PHE A 53 61.696 -5.732 60.374 1.00 0.00 H new ATOM 0 HE2 PHE A 53 59.907 -9.566 59.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 61.771 -8.176 60.666 1.00 0.00 H new ATOM 717 N GLN A 54 55.575 -5.821 55.980 1.00 0.00 N ATOM 718 CA GLN A 54 54.552 -6.436 55.143 1.00 0.00 C ATOM 719 C GLN A 54 54.878 -6.253 53.664 1.00 0.00 C ATOM 720 O GLN A 54 54.654 -7.149 52.852 1.00 0.00 O ATOM 721 CB GLN A 54 53.180 -5.835 55.451 1.00 0.00 C ATOM 722 CG GLN A 54 52.267 -6.771 56.229 1.00 0.00 C ATOM 723 CD GLN A 54 50.970 -7.061 55.501 1.00 0.00 C ATOM 724 OE1 GLN A 54 50.951 -7.209 54.279 1.00 0.00 O ATOM 725 NE2 GLN A 54 49.876 -7.145 56.250 1.00 0.00 N ATOM 0 H GLN A 54 55.226 -5.101 56.612 1.00 0.00 H new ATOM 0 HA GLN A 54 54.531 -7.503 55.364 1.00 0.00 H new ATOM 0 HB2 GLN A 54 53.315 -4.916 56.021 1.00 0.00 H new ATOM 0 HB3 GLN A 54 52.694 -5.561 54.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 52.790 -7.708 56.418 1.00 0.00 H new ATOM 0 HG3 GLN A 54 52.043 -6.329 57.200 1.00 0.00 H new ATOM 0 HE21 GLN A 54 49.938 -7.015 57.260 1.00 0.00 H new ATOM 0 HE22 GLN A 54 48.974 -7.339 55.815 1.00 0.00 H new ATOM 732 N GLY A 55 55.410 -5.083 53.320 1.00 0.00 N ATOM 733 CA GLY A 55 55.757 -4.804 51.939 1.00 0.00 C ATOM 734 C GLY A 55 56.648 -5.872 51.338 1.00 0.00 C ATOM 735 O GLY A 55 56.628 -6.101 50.128 1.00 0.00 O ATOM 0 H GLY A 55 55.606 -4.324 53.973 1.00 0.00 H new ATOM 0 HA2 GLY A 55 54.845 -4.721 51.348 1.00 0.00 H new ATOM 0 HA3 GLY A 55 56.262 -3.840 51.882 1.00 0.00 H new ATOM 739 N VAL A 56 57.436 -6.530 52.184 1.00 0.00 N ATOM 740 CA VAL A 56 58.339 -7.581 51.729 1.00 0.00 C ATOM 741 C VAL A 56 57.596 -8.617 50.892 1.00 0.00 C ATOM 742 O VAL A 56 58.162 -9.205 49.969 1.00 0.00 O ATOM 743 CB VAL A 56 59.020 -8.287 52.915 1.00 0.00 C ATOM 744 CG1 VAL A 56 59.933 -9.400 52.421 1.00 0.00 C ATOM 745 CG2 VAL A 56 59.795 -7.285 53.758 1.00 0.00 C ATOM 0 H VAL A 56 57.467 -6.353 53.188 1.00 0.00 H new ATOM 0 HA VAL A 56 59.102 -7.101 51.116 1.00 0.00 H new ATOM 0 HB VAL A 56 58.248 -8.734 53.542 1.00 0.00 H new ATOM 0 HG11 VAL A 56 60.406 -9.888 53.273 1.00 0.00 H new ATOM 0 HG12 VAL A 56 59.347 -10.131 51.864 1.00 0.00 H new ATOM 0 HG13 VAL A 56 60.701 -8.979 51.772 1.00 0.00 H new ATOM 0 HG21 VAL A 56 60.270 -7.802 54.592 1.00 0.00 H new ATOM 0 HG22 VAL A 56 60.559 -6.807 53.145 1.00 0.00 H new ATOM 0 HG23 VAL A 56 59.112 -6.527 54.142 1.00 0.00 H new ATOM 755 N HIS A 57 56.328 -8.837 51.219 1.00 0.00 N ATOM 756 CA HIS A 57 55.507 -9.802 50.496 1.00 0.00 C ATOM 757 C HIS A 57 54.763 -9.130 49.346 1.00 0.00 C ATOM 758 O HIS A 57 54.419 -9.774 48.356 1.00 0.00 O ATOM 759 CB HIS A 57 54.509 -10.467 51.445 1.00 0.00 C ATOM 760 CG HIS A 57 53.878 -11.701 50.881 1.00 0.00 C ATOM 761 ND1 HIS A 57 54.591 -12.843 50.582 1.00 0.00 N ATOM 762 CD2 HIS A 57 52.590 -11.970 50.562 1.00 0.00 C ATOM 763 CE1 HIS A 57 53.771 -13.761 50.102 1.00 0.00 C ATOM 764 NE2 HIS A 57 52.549 -13.256 50.080 1.00 0.00 N ATOM 0 H HIS A 57 55.845 -8.360 51.981 1.00 0.00 H new ATOM 0 HA HIS A 57 56.167 -10.564 50.082 1.00 0.00 H new ATOM 0 HB2 HIS A 57 55.018 -10.722 52.374 1.00 0.00 H new ATOM 0 HB3 HIS A 57 53.726 -9.751 51.696 1.00 0.00 H new ATOM 0 HD2 HIS A 57 51.751 -11.298 50.667 1.00 0.00 H new ATOM 0 HE1 HIS A 57 54.051 -14.754 49.782 1.00 0.00 H new ATOM 0 HE2 HIS A 57 51.712 -13.742 49.758 1.00 0.00 H new ATOM 771 N ASP A 58 54.517 -7.832 49.486 1.00 0.00 N ATOM 772 CA ASP A 58 53.815 -7.072 48.458 1.00 0.00 C ATOM 773 C ASP A 58 54.632 -7.014 47.171 1.00 0.00 C ATOM 774 O ASP A 58 54.082 -6.847 46.082 1.00 0.00 O ATOM 775 CB ASP A 58 53.519 -5.656 48.953 1.00 0.00 C ATOM 776 CG ASP A 58 53.189 -4.704 47.821 1.00 0.00 C ATOM 777 OD1 ASP A 58 54.126 -4.260 47.127 1.00 0.00 O ATOM 778 OD2 ASP A 58 51.991 -4.400 47.630 1.00 0.00 O ATOM 0 H ASP A 58 54.793 -7.284 50.301 1.00 0.00 H new ATOM 0 HA ASP A 58 52.873 -7.579 48.246 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.684 -5.686 49.653 1.00 0.00 H new ATOM 0 HB3 ASP A 58 54.382 -5.278 49.502 1.00 0.00 H new ATOM 782 N SER A 59 55.947 -7.151 47.304 1.00 0.00 N ATOM 783 CA SER A 59 56.841 -7.110 46.153 1.00 0.00 C ATOM 784 C SER A 59 56.410 -8.122 45.094 1.00 0.00 C ATOM 785 O SER A 59 56.658 -7.935 43.905 1.00 0.00 O ATOM 786 CB SER A 59 58.281 -7.390 46.588 1.00 0.00 C ATOM 787 OG SER A 59 59.170 -7.309 45.487 1.00 0.00 O ATOM 0 H SER A 59 56.417 -7.291 48.198 1.00 0.00 H new ATOM 0 HA SER A 59 56.789 -6.112 45.719 1.00 0.00 H new ATOM 0 HB2 SER A 59 58.579 -6.674 47.354 1.00 0.00 H new ATOM 0 HB3 SER A 59 58.343 -8.381 47.037 1.00 0.00 H new ATOM 0 HG SER A 59 60.084 -7.490 45.791 1.00 0.00 H new ATOM 792 N ALA A 60 55.766 -9.196 45.539 1.00 0.00 N ATOM 793 CA ALA A 60 55.300 -10.237 44.632 1.00 0.00 C ATOM 794 C ALA A 60 54.211 -9.708 43.703 1.00 0.00 C ATOM 795 O ALA A 60 54.071 -10.171 42.571 1.00 0.00 O ATOM 796 CB ALA A 60 54.787 -11.433 45.421 1.00 0.00 C ATOM 0 H ALA A 60 55.555 -9.368 46.522 1.00 0.00 H new ATOM 0 HA ALA A 60 56.143 -10.554 44.018 1.00 0.00 H new ATOM 0 HB1 ALA A 60 54.442 -12.203 44.731 1.00 0.00 H new ATOM 0 HB2 ALA A 60 55.591 -11.833 46.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 53.960 -11.121 46.059 1.00 0.00 H new ATOM 802 N GLU A 61 53.444 -8.738 44.188 1.00 0.00 N ATOM 803 CA GLU A 61 52.368 -8.148 43.400 1.00 0.00 C ATOM 804 C GLU A 61 52.879 -7.695 42.035 1.00 0.00 C ATOM 805 O GLU A 61 52.430 -8.184 40.999 1.00 0.00 O ATOM 806 CB GLU A 61 51.751 -6.962 44.145 1.00 0.00 C ATOM 807 CG GLU A 61 50.564 -6.343 43.426 1.00 0.00 C ATOM 808 CD GLU A 61 50.044 -5.100 44.121 1.00 0.00 C ATOM 809 OE1 GLU A 61 49.616 -5.209 45.289 1.00 0.00 O ATOM 810 OE2 GLU A 61 50.067 -4.019 43.497 1.00 0.00 O ATOM 0 H GLU A 61 53.547 -8.344 45.123 1.00 0.00 H new ATOM 0 HA GLU A 61 51.603 -8.910 43.248 1.00 0.00 H new ATOM 0 HB2 GLU A 61 51.435 -7.290 45.135 1.00 0.00 H new ATOM 0 HB3 GLU A 61 52.515 -6.198 44.292 1.00 0.00 H new ATOM 0 HG2 GLU A 61 50.853 -6.090 42.406 1.00 0.00 H new ATOM 0 HG3 GLU A 61 49.762 -7.078 43.357 1.00 0.00 H new ATOM 1021 N ARG A 79 20.435 7.236 19.233 1.00 0.00 N ATOM 1022 CA ARG A 79 19.759 6.318 18.325 1.00 0.00 C ATOM 1023 C ARG A 79 18.862 5.353 19.094 1.00 0.00 C ATOM 1024 O ARG A 79 17.873 4.849 18.561 1.00 0.00 O ATOM 1025 CB ARG A 79 20.782 5.536 17.501 1.00 0.00 C ATOM 1026 CG ARG A 79 21.068 6.149 16.141 1.00 0.00 C ATOM 1027 CD ARG A 79 20.092 5.646 15.087 1.00 0.00 C ATOM 1028 NE ARG A 79 19.425 6.744 14.391 1.00 0.00 N ATOM 1029 CZ ARG A 79 18.396 6.573 13.569 1.00 0.00 C ATOM 1030 NH1 ARG A 79 17.918 5.358 13.342 1.00 0.00 N ATOM 1031 NH2 ARG A 79 17.842 7.622 12.972 1.00 0.00 N ATOM 0 HA ARG A 79 19.135 6.906 17.652 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.714 5.470 18.063 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.421 4.517 17.362 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.004 7.235 16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.087 5.908 15.839 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.625 5.029 14.364 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.344 5.009 15.560 1.00 0.00 H new ATOM 0 HE ARG A 79 19.768 7.692 14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.341 4.550 13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.128 5.231 12.710 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.207 8.559 13.145 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.052 7.491 12.341 1.00 0.00 H new ATOM 1042 N ASP A 80 19.215 5.100 20.349 1.00 0.00 N ATOM 1043 CA ASP A 80 18.443 4.195 21.193 1.00 0.00 C ATOM 1044 C ASP A 80 17.159 4.863 21.675 1.00 0.00 C ATOM 1045 O ASP A 80 16.116 4.219 21.784 1.00 0.00 O ATOM 1046 CB ASP A 80 19.278 3.743 22.393 1.00 0.00 C ATOM 1047 CG ASP A 80 19.341 2.234 22.518 1.00 0.00 C ATOM 1048 OD1 ASP A 80 18.356 1.637 23.002 1.00 0.00 O ATOM 1049 OD2 ASP A 80 20.376 1.648 22.134 1.00 0.00 O ATOM 0 H ASP A 80 20.031 5.509 20.805 1.00 0.00 H new ATOM 0 HA ASP A 80 18.176 3.322 20.597 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.289 4.139 22.299 1.00 0.00 H new ATOM 0 HB3 ASP A 80 18.855 4.163 23.305 1.00 0.00 H new ATOM 1053 N TYR A 81 17.244 6.157 21.962 1.00 0.00 N ATOM 1054 CA TYR A 81 16.090 6.913 22.435 1.00 0.00 C ATOM 1055 C TYR A 81 15.163 7.273 21.279 1.00 0.00 C ATOM 1056 O TYR A 81 13.950 7.385 21.452 1.00 0.00 O ATOM 1057 CB TYR A 81 16.546 8.184 23.154 1.00 0.00 C ATOM 1058 CG TYR A 81 16.037 8.293 24.572 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.705 8.037 24.876 1.00 0.00 C ATOM 1060 CD2 TYR A 81 16.888 8.649 25.611 1.00 0.00 C ATOM 1061 CE1 TYR A 81 14.236 8.137 26.170 1.00 0.00 C ATOM 1062 CE2 TYR A 81 16.428 8.749 26.910 1.00 0.00 C ATOM 1063 CZ TYR A 81 15.100 8.493 27.185 1.00 0.00 C ATOM 1064 OH TYR A 81 14.637 8.591 28.477 1.00 0.00 O ATOM 0 H TYR A 81 18.100 6.705 21.875 1.00 0.00 H new ATOM 0 HA TYR A 81 15.539 6.285 23.136 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.636 8.214 23.165 1.00 0.00 H new ATOM 0 HB3 TYR A 81 16.209 9.052 22.588 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.025 7.755 24.086 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.928 8.851 25.399 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.197 7.937 26.387 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.104 9.026 27.706 1.00 0.00 H new ATOM 0 HH TYR A 81 15.373 8.850 29.070 1.00 0.00 H new ATOM 1073 N MET A 82 15.745 7.453 20.096 1.00 0.00 N ATOM 1074 CA MET A 82 14.972 7.799 18.910 1.00 0.00 C ATOM 1075 C MET A 82 14.222 6.583 18.375 1.00 0.00 C ATOM 1076 O MET A 82 13.004 6.618 18.204 1.00 0.00 O ATOM 1077 CB MET A 82 15.889 8.364 17.824 1.00 0.00 C ATOM 1078 CG MET A 82 16.058 9.874 17.896 1.00 0.00 C ATOM 1079 SD MET A 82 14.845 10.756 16.897 1.00 0.00 S ATOM 1080 CE MET A 82 14.295 12.005 18.058 1.00 0.00 C ATOM 0 H MET A 82 16.748 7.365 19.935 1.00 0.00 H new ATOM 0 HA MET A 82 14.243 8.559 19.192 1.00 0.00 H new ATOM 0 HB2 MET A 82 16.868 7.893 17.906 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.488 8.098 16.846 1.00 0.00 H new ATOM 0 HG2 MET A 82 15.972 10.196 18.934 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.061 10.140 17.562 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.540 12.633 17.586 1.00 0.00 H new ATOM 0 HE2 MET A 82 13.868 11.522 18.937 1.00 0.00 H new ATOM 0 HE3 MET A 82 15.143 12.621 18.359 1.00 0.00 H new ATOM 1088 N GLY A 83 14.958 5.507 18.113 1.00 0.00 N ATOM 1089 CA GLY A 83 14.345 4.296 17.599 1.00 0.00 C ATOM 1090 C GLY A 83 13.267 3.758 18.519 1.00 0.00 C ATOM 1091 O GLY A 83 12.305 3.140 18.065 1.00 0.00 O ATOM 0 H GLY A 83 15.968 5.452 18.248 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.914 4.498 16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.113 3.535 17.459 1.00 0.00 H new ATOM 1095 N ALA A 84 13.430 3.991 19.818 1.00 0.00 N ATOM 1096 CA ALA A 84 12.462 3.524 20.804 1.00 0.00 C ATOM 1097 C ALA A 84 11.278 4.479 20.905 1.00 0.00 C ATOM 1098 O ALA A 84 10.155 4.061 21.186 1.00 0.00 O ATOM 1099 CB ALA A 84 13.130 3.362 22.162 1.00 0.00 C ATOM 0 H ALA A 84 14.222 4.499 20.211 1.00 0.00 H new ATOM 0 HA ALA A 84 12.086 2.554 20.478 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.397 3.013 22.889 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.939 2.635 22.085 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.534 4.321 22.486 1.00 0.00 H new ATOM 1105 N ALA A 85 11.537 5.762 20.675 1.00 0.00 N ATOM 1106 CA ALA A 85 10.491 6.775 20.739 1.00 0.00 C ATOM 1107 C ALA A 85 9.613 6.738 19.492 1.00 0.00 C ATOM 1108 O ALA A 85 8.392 6.867 19.576 1.00 0.00 O ATOM 1109 CB ALA A 85 11.104 8.156 20.914 1.00 0.00 C ATOM 0 H ALA A 85 12.462 6.124 20.443 1.00 0.00 H new ATOM 0 HA ALA A 85 9.861 6.557 21.601 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.311 8.903 20.960 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.682 8.183 21.838 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.758 8.373 20.070 1.00 0.00 H new ATOM 1115 N LYS A 86 10.244 6.562 18.336 1.00 0.00 N ATOM 1116 CA LYS A 86 9.522 6.507 17.071 1.00 0.00 C ATOM 1117 C LYS A 86 8.563 5.321 17.043 1.00 0.00 C ATOM 1118 O LYS A 86 7.389 5.468 16.703 1.00 0.00 O ATOM 1119 CB LYS A 86 10.504 6.411 15.902 1.00 0.00 C ATOM 1120 CG LYS A 86 11.542 5.313 16.069 1.00 0.00 C ATOM 1121 CD LYS A 86 11.201 4.091 15.235 1.00 0.00 C ATOM 1122 CE LYS A 86 12.121 3.963 14.031 1.00 0.00 C ATOM 1123 NZ LYS A 86 12.334 2.541 13.642 1.00 0.00 N ATOM 0 H LYS A 86 11.255 6.455 18.249 1.00 0.00 H new ATOM 0 HA LYS A 86 8.941 7.424 16.973 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.946 6.235 14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.014 7.367 15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.522 5.691 15.778 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.608 5.030 17.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.280 3.195 15.851 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.166 4.156 14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.695 4.510 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.082 4.425 14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.967 2.498 12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.764 2.025 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.420 2.107 13.401 1.00 0.00 H new ATOM 1133 N SER A 87 9.071 4.147 17.402 1.00 0.00 N ATOM 1134 CA SER A 87 8.260 2.935 17.415 1.00 0.00 C ATOM 1135 C SER A 87 7.139 3.043 18.444 1.00 0.00 C ATOM 1136 O SER A 87 5.992 2.691 18.170 1.00 0.00 O ATOM 1137 CB SER A 87 9.133 1.716 17.719 1.00 0.00 C ATOM 1138 OG SER A 87 8.742 0.602 16.934 1.00 0.00 O ATOM 0 H SER A 87 10.040 4.009 17.688 1.00 0.00 H new ATOM 0 HA SER A 87 7.813 2.815 16.428 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.178 1.955 17.523 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.057 1.465 18.777 1.00 0.00 H new ATOM 0 HG SER A 87 9.316 -0.164 17.145 1.00 0.00 H new ATOM 1143 N LYS A 88 7.480 3.532 19.632 1.00 0.00 N ATOM 1144 CA LYS A 88 6.505 3.688 20.705 1.00 0.00 C ATOM 1145 C LYS A 88 5.430 4.698 20.320 1.00 0.00 C ATOM 1146 O LYS A 88 4.236 4.416 20.416 1.00 0.00 O ATOM 1147 CB LYS A 88 7.200 4.132 21.995 1.00 0.00 C ATOM 1148 CG LYS A 88 7.938 3.012 22.705 1.00 0.00 C ATOM 1149 CD LYS A 88 6.980 1.948 23.212 1.00 0.00 C ATOM 1150 CE LYS A 88 6.914 1.936 24.732 1.00 0.00 C ATOM 1151 NZ LYS A 88 6.076 3.047 25.261 1.00 0.00 N ATOM 0 H LYS A 88 8.425 3.827 19.876 1.00 0.00 H new ATOM 0 HA LYS A 88 6.028 2.722 20.872 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.905 4.930 21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.456 4.552 22.672 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.658 2.560 22.023 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.505 3.421 23.541 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.985 2.129 22.805 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.298 0.969 22.853 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.508 0.983 25.070 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.922 2.016 25.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.057 3.003 26.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.477 3.958 24.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.107 2.957 24.893 1.00 0.00 H new ATOM 1161 N LEU A 89 5.862 5.876 19.882 1.00 0.00 N ATOM 1162 CA LEU A 89 4.935 6.930 19.481 1.00 0.00 C ATOM 1163 C LEU A 89 3.917 6.403 18.475 1.00 0.00 C ATOM 1164 O LEU A 89 2.710 6.527 18.677 1.00 0.00 O ATOM 1165 CB LEU A 89 5.702 8.108 18.880 1.00 0.00 C ATOM 1166 CG LEU A 89 4.856 9.299 18.425 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.839 9.668 19.493 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.744 10.489 18.097 1.00 0.00 C ATOM 0 H LEU A 89 6.847 6.125 19.795 1.00 0.00 H new ATOM 0 HA LEU A 89 4.400 7.269 20.368 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.423 8.461 19.618 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.273 7.746 18.025 1.00 0.00 H new ATOM 0 HG LEU A 89 4.317 9.014 17.521 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.246 10.517 19.153 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.182 8.818 19.679 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.358 9.934 20.414 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.125 11.327 17.775 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.310 10.775 18.983 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.434 10.219 17.297 1.00 0.00 H new ATOM 1179 N ASN A 90 4.412 5.816 17.391 1.00 0.00 N ATOM 1180 CA ASN A 90 3.544 5.271 16.353 1.00 0.00 C ATOM 1181 C ASN A 90 2.614 4.206 16.926 1.00 0.00 C ATOM 1182 O ASN A 90 1.518 3.984 16.413 1.00 0.00 O ATOM 1183 CB ASN A 90 4.383 4.675 15.220 1.00 0.00 C ATOM 1184 CG ASN A 90 3.922 5.140 13.852 1.00 0.00 C ATOM 1185 OD1 ASN A 90 4.129 6.293 13.475 1.00 0.00 O ATOM 1186 ND2 ASN A 90 3.291 4.244 13.105 1.00 0.00 N ATOM 0 H ASN A 90 5.409 5.705 17.208 1.00 0.00 H new ATOM 0 HA ASN A 90 2.936 6.085 15.958 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.428 4.951 15.361 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.332 3.587 15.267 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.955 4.500 12.177 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.142 3.299 13.459 1.00 0.00 H new ATOM 1192 N ASP A 91 3.061 3.552 17.993 1.00 0.00 N ATOM 1193 CA ASP A 91 2.267 2.511 18.639 1.00 0.00 C ATOM 1194 C ASP A 91 1.073 3.114 19.370 1.00 0.00 C ATOM 1195 O ASP A 91 -0.003 2.520 19.416 1.00 0.00 O ATOM 1196 CB ASP A 91 3.131 1.714 19.617 1.00 0.00 C ATOM 1197 CG ASP A 91 2.845 0.226 19.562 1.00 0.00 C ATOM 1198 OD1 ASP A 91 1.898 -0.220 20.242 1.00 0.00 O ATOM 1199 OD2 ASP A 91 3.571 -0.491 18.841 1.00 0.00 O ATOM 0 H ASP A 91 3.967 3.723 18.429 1.00 0.00 H new ATOM 0 HA ASP A 91 1.895 1.839 17.865 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.183 1.887 19.392 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.957 2.077 20.630 1.00 0.00 H new ATOM 1203 N ALA A 92 1.271 4.297 19.943 1.00 0.00 N ATOM 1204 CA ALA A 92 0.210 4.979 20.672 1.00 0.00 C ATOM 1205 C ALA A 92 -0.723 5.721 19.719 1.00 0.00 C ATOM 1206 O ALA A 92 -1.945 5.633 19.838 1.00 0.00 O ATOM 1207 CB ALA A 92 0.804 5.945 21.687 1.00 0.00 C ATOM 0 H ALA A 92 2.157 4.802 19.916 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.375 4.226 21.200 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.000 6.448 22.225 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.424 5.394 22.394 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.414 6.686 21.170 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.138 6.448 18.772 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.917 7.203 17.798 1.00 0.00 C ATOM 1215 C VAL A 93 -1.938 6.311 17.100 1.00 0.00 C ATOM 1216 O VAL A 93 -3.134 6.600 17.104 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.011 7.853 16.736 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.816 8.782 15.842 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.135 8.601 17.402 1.00 0.00 C ATOM 0 H VAL A 93 0.872 6.530 18.659 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.438 7.986 18.349 1.00 0.00 H new ATOM 0 HB VAL A 93 0.411 7.065 16.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.158 9.232 15.098 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.599 8.215 15.339 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.269 9.567 16.447 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.766 9.055 16.638 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.733 9.380 18.050 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.728 7.905 17.996 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.459 5.224 16.505 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.331 4.290 15.803 1.00 0.00 C ATOM 1231 C GLU A 94 -3.519 3.895 16.676 1.00 0.00 C ATOM 1232 O GLU A 94 -4.632 3.716 16.182 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.549 3.040 15.391 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.536 2.797 13.892 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.214 1.496 13.505 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -3.419 1.345 13.798 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -1.539 0.630 12.910 1.00 0.00 O ATOM 0 H GLU A 94 -0.472 4.968 16.495 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.708 4.786 14.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.522 3.131 15.745 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.981 2.171 15.888 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.035 3.626 13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.505 2.784 13.539 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.273 3.761 17.974 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.321 3.386 18.915 1.00 0.00 C ATOM 1244 C TYR A 95 -5.240 4.567 19.208 1.00 0.00 C ATOM 1245 O TYR A 95 -6.458 4.414 19.301 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.707 2.868 20.217 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.720 2.290 21.178 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.504 3.118 21.973 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -4.895 0.916 21.290 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.430 2.593 22.854 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.820 0.383 22.167 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.586 1.225 22.947 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.507 0.699 23.821 1.00 0.00 O ATOM 0 H TYR A 95 -2.357 3.906 18.399 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.914 2.592 18.460 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.966 2.104 19.980 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.177 3.684 20.709 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.387 4.189 21.901 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.298 0.253 20.681 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.029 3.250 23.467 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.943 -0.687 22.242 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.492 -0.279 23.763 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.647 5.747 19.352 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.411 6.958 19.633 1.00 0.00 C ATOM 1264 C VAL A 96 -6.331 7.309 18.471 1.00 0.00 C ATOM 1265 O VAL A 96 -7.527 7.530 18.656 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.482 8.154 19.918 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.294 9.375 20.319 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.471 7.797 20.998 1.00 0.00 C ATOM 0 H VAL A 96 -3.640 5.891 19.279 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.012 6.755 20.519 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.935 8.394 19.006 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.622 10.210 20.517 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.975 9.641 19.510 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.868 9.151 21.218 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.823 8.653 21.187 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.997 7.531 21.915 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.868 6.951 20.667 1.00 0.00 H new ATOM 1278 N SER A 97 -5.765 7.359 17.269 1.00 0.00 N ATOM 1279 CA SER A 97 -6.533 7.687 16.074 1.00 0.00 C ATOM 1280 C SER A 97 -7.658 6.680 15.859 1.00 0.00 C ATOM 1281 O SER A 97 -8.712 7.015 15.318 1.00 0.00 O ATOM 1282 CB SER A 97 -5.620 7.719 14.847 1.00 0.00 C ATOM 1283 OG SER A 97 -5.718 8.959 14.170 1.00 0.00 O ATOM 0 H SER A 97 -4.776 7.176 17.097 1.00 0.00 H new ATOM 0 HA SER A 97 -6.974 8.674 16.215 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.588 7.549 15.154 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.889 6.909 14.169 1.00 0.00 H new ATOM 0 HG SER A 97 -5.124 8.954 13.391 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.427 5.443 16.288 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.429 4.405 16.134 1.00 0.00 C ATOM 1290 C GLY A 98 -9.510 4.481 17.194 1.00 0.00 C ATOM 1291 O GLY A 98 -10.615 3.971 17.002 1.00 0.00 O ATOM 0 H GLY A 98 -6.564 5.141 16.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.885 4.488 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.947 3.429 16.181 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.193 5.115 18.316 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.144 5.253 19.412 1.00 0.00 C ATOM 1297 C ARG A 99 -10.978 6.521 19.253 1.00 0.00 C ATOM 1298 O ARG A 99 -12.201 6.493 19.391 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.409 5.281 20.755 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.435 3.951 21.489 1.00 0.00 C ATOM 1301 CD ARG A 99 -9.924 4.115 22.919 1.00 0.00 C ATOM 1302 NE ARG A 99 -9.775 2.884 23.693 1.00 0.00 N ATOM 1303 CZ ARG A 99 -9.977 2.811 25.004 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -10.337 3.892 25.683 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -9.821 1.656 25.637 1.00 0.00 N ATOM 0 H ARG A 99 -8.284 5.542 18.491 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.812 4.392 19.388 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.373 5.574 20.587 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.857 6.046 21.389 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.084 3.254 20.959 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.435 3.516 21.492 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.367 4.917 23.403 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.972 4.414 22.912 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.501 2.034 23.199 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.459 4.781 25.199 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.492 3.834 26.690 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.546 0.823 25.117 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.976 1.601 26.644 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.308 7.632 18.960 1.00 0.00 N ATOM 1317 CA VAL A 100 -10.988 8.910 18.781 1.00 0.00 C ATOM 1318 C VAL A 100 -12.138 8.785 17.788 1.00 0.00 C ATOM 1319 O VAL A 100 -13.243 9.267 18.039 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.015 9.997 18.290 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.756 11.301 18.039 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.890 10.199 19.294 1.00 0.00 C ATOM 0 H VAL A 100 -9.296 7.673 18.842 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.383 9.199 19.755 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.575 9.668 17.348 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.053 12.058 17.692 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.523 11.144 17.280 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.224 11.637 18.964 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.212 10.971 18.930 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.309 10.506 20.253 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.342 9.265 19.420 1.00 0.00 H new