USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 116:sc= 0.891 USER MOD Set 1.2: A 58 THR OG1 : rot 140:sc= 0.879 USER MOD Set 2.1: A 44 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.5!) USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0433 K(o=-0.043,f=-2!) USER MOD Single : A 16 SER OG : rot -10:sc= -1.42 USER MOD Single : A 18 GLN : amide:sc= -0.0214 K(o=-0.021,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 90:sc= -0.817 USER MOD Single : A 27 CYS SG : rot -100:sc= -1.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 170:sc= -2.14 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0547) USER MOD Single : A 40 MET CE :methyl -116:sc= -2.49! (180deg=-5.26!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.0339 (180deg=-0.546) USER MOD Single : A 63 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.643 F(o=-1.9,f=-0.64) USER MOD Single : A 69 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.12 (180deg=-0.692) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.918 -2.398 9.410 1.00 0.00 N ATOM 131 CA SER A 10 13.616 -3.815 9.315 1.00 0.00 C ATOM 132 C SER A 10 13.020 -4.156 7.951 1.00 0.00 C ATOM 133 O SER A 10 12.232 -3.386 7.401 1.00 0.00 O ATOM 134 CB SER A 10 12.651 -4.231 10.428 1.00 0.00 C ATOM 135 OG SER A 10 13.351 -4.540 11.621 1.00 0.00 O ATOM 0 HA SER A 10 14.549 -4.367 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.941 -3.426 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.073 -5.097 10.107 1.00 0.00 H new ATOM 0 HG SER A 10 12.712 -4.801 12.317 1.00 0.00 H new ATOM 141 N PRO A 11 13.389 -5.318 7.383 1.00 0.00 N ATOM 142 CA PRO A 11 12.885 -5.752 6.076 1.00 0.00 C ATOM 143 C PRO A 11 11.419 -6.167 6.120 1.00 0.00 C ATOM 144 O PRO A 11 10.755 -6.246 5.087 1.00 0.00 O ATOM 145 CB PRO A 11 13.771 -6.949 5.735 1.00 0.00 C ATOM 146 CG PRO A 11 14.188 -7.487 7.055 1.00 0.00 C ATOM 147 CD PRO A 11 14.324 -6.298 7.965 1.00 0.00 C ATOM 0 HA PRO A 11 12.925 -4.949 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.226 -7.695 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.632 -6.649 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.450 -8.190 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.131 -8.027 6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.059 -6.546 8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.346 -5.919 7.982 1.00 0.00 H new ATOM 155 N ASP A 12 10.920 -6.431 7.321 1.00 0.00 N ATOM 156 CA ASP A 12 9.532 -6.838 7.499 1.00 0.00 C ATOM 157 C ASP A 12 8.579 -5.709 7.129 1.00 0.00 C ATOM 158 O ASP A 12 7.425 -5.947 6.773 1.00 0.00 O ATOM 159 CB ASP A 12 9.289 -7.282 8.939 1.00 0.00 C ATOM 160 CG ASP A 12 8.961 -8.759 9.043 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.811 -9.135 8.733 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.854 -9.539 9.435 1.00 0.00 O ATOM 0 H ASP A 12 11.456 -6.371 8.187 1.00 0.00 H new ATOM 0 HA ASP A 12 9.339 -7.679 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.175 -7.067 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.470 -6.700 9.362 1.00 0.00 H new ATOM 167 N ILE A 13 9.071 -4.480 7.211 1.00 0.00 N ATOM 168 CA ILE A 13 8.267 -3.315 6.880 1.00 0.00 C ATOM 169 C ILE A 13 8.088 -3.207 5.376 1.00 0.00 C ATOM 170 O ILE A 13 6.969 -3.119 4.872 1.00 0.00 O ATOM 171 CB ILE A 13 8.891 -2.022 7.433 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.703 -1.946 8.950 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.293 -0.790 6.763 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.262 -3.139 9.693 1.00 0.00 C ATOM 0 H ILE A 13 10.024 -4.266 7.504 1.00 0.00 H new ATOM 0 HA ILE A 13 7.291 -3.443 7.348 1.00 0.00 H new ATOM 0 HB ILE A 13 9.958 -2.042 7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.183 -1.040 9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.639 -1.857 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.754 0.108 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.478 -0.833 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.219 -0.762 6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.092 -3.014 10.762 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.765 -4.047 9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.332 -3.217 9.503 1.00 0.00 H new ATOM 186 N GLU A 14 9.202 -3.235 4.669 1.00 0.00 N ATOM 187 CA GLU A 14 9.184 -3.162 3.218 1.00 0.00 C ATOM 188 C GLU A 14 8.498 -4.393 2.642 1.00 0.00 C ATOM 189 O GLU A 14 7.960 -4.359 1.535 1.00 0.00 O ATOM 190 CB GLU A 14 10.606 -3.043 2.667 1.00 0.00 C ATOM 191 CG GLU A 14 11.076 -1.607 2.501 1.00 0.00 C ATOM 192 CD GLU A 14 11.731 -1.059 3.754 1.00 0.00 C ATOM 193 OE1 GLU A 14 11.005 -0.518 4.615 1.00 0.00 O ATOM 194 OE2 GLU A 14 12.969 -1.171 3.874 1.00 0.00 O ATOM 0 H GLU A 14 10.134 -3.308 5.076 1.00 0.00 H new ATOM 0 HA GLU A 14 8.625 -2.274 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.291 -3.566 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.656 -3.547 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.783 -1.553 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.226 -0.979 2.236 1.00 0.00 H new ATOM 201 N GLN A 15 8.514 -5.477 3.410 1.00 0.00 N ATOM 202 CA GLN A 15 7.888 -6.717 2.993 1.00 0.00 C ATOM 203 C GLN A 15 6.381 -6.618 3.116 1.00 0.00 C ATOM 204 O GLN A 15 5.638 -7.041 2.230 1.00 0.00 O ATOM 205 CB GLN A 15 8.413 -7.872 3.819 1.00 0.00 C ATOM 206 CG GLN A 15 9.531 -8.621 3.128 1.00 0.00 C ATOM 207 CD GLN A 15 9.023 -9.623 2.110 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.339 -9.260 1.153 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.356 -10.893 2.312 1.00 0.00 N ATOM 0 H GLN A 15 8.957 -5.517 4.328 1.00 0.00 H new ATOM 0 HA GLN A 15 8.135 -6.897 1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.771 -7.495 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.596 -8.562 4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.189 -7.907 2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.131 -9.141 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.925 -11.149 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.043 -11.612 1.660 1.00 0.00 H new ATOM 218 N SER A 16 5.941 -6.037 4.219 1.00 0.00 N ATOM 219 CA SER A 16 4.521 -5.853 4.468 1.00 0.00 C ATOM 220 C SER A 16 3.925 -4.915 3.428 1.00 0.00 C ATOM 221 O SER A 16 2.728 -4.959 3.145 1.00 0.00 O ATOM 222 CB SER A 16 4.291 -5.296 5.874 1.00 0.00 C ATOM 223 OG SER A 16 2.971 -5.559 6.318 1.00 0.00 O ATOM 0 H SER A 16 6.548 -5.684 4.958 1.00 0.00 H new ATOM 0 HA SER A 16 4.027 -6.822 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.006 -5.741 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.471 -4.221 5.877 1.00 0.00 H new ATOM 0 HG SER A 16 2.436 -5.899 5.571 1.00 0.00 H new ATOM 229 N PHE A 17 4.776 -4.069 2.855 1.00 0.00 N ATOM 230 CA PHE A 17 4.347 -3.121 1.840 1.00 0.00 C ATOM 231 C PHE A 17 3.921 -3.846 0.576 1.00 0.00 C ATOM 232 O PHE A 17 2.917 -3.498 -0.045 1.00 0.00 O ATOM 233 CB PHE A 17 5.465 -2.129 1.533 1.00 0.00 C ATOM 234 CG PHE A 17 5.200 -0.742 2.044 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.783 -0.540 3.350 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.370 0.358 1.220 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.540 0.735 3.824 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.128 1.636 1.689 1.00 0.00 C ATOM 239 CZ PHE A 17 4.713 1.824 2.993 1.00 0.00 C ATOM 0 H PHE A 17 5.770 -4.023 3.080 1.00 0.00 H new ATOM 0 HA PHE A 17 3.489 -2.570 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.394 -2.496 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.615 -2.087 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.646 -1.388 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.695 0.216 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.215 0.880 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.263 2.486 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.524 2.821 3.362 1.00 0.00 H new ATOM 249 N GLN A 18 4.683 -4.863 0.209 1.00 0.00 N ATOM 250 CA GLN A 18 4.372 -5.647 -0.976 1.00 0.00 C ATOM 251 C GLN A 18 3.069 -6.404 -0.777 1.00 0.00 C ATOM 252 O GLN A 18 2.355 -6.699 -1.735 1.00 0.00 O ATOM 253 CB GLN A 18 5.501 -6.628 -1.298 1.00 0.00 C ATOM 254 CG GLN A 18 5.122 -7.659 -2.352 1.00 0.00 C ATOM 255 CD GLN A 18 6.330 -8.344 -2.962 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.469 -8.067 -2.588 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.085 -9.243 -3.908 1.00 0.00 N ATOM 0 H GLN A 18 5.518 -5.165 0.712 1.00 0.00 H new ATOM 0 HA GLN A 18 4.264 -4.961 -1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.371 -6.069 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.796 -7.144 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.472 -8.410 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.549 -7.172 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.124 -9.441 -4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.858 -9.736 -4.356 1.00 0.00 H new ATOM 266 N GLU A 19 2.767 -6.716 0.474 1.00 0.00 N ATOM 267 CA GLU A 19 1.551 -7.438 0.804 1.00 0.00 C ATOM 268 C GLU A 19 0.329 -6.593 0.493 1.00 0.00 C ATOM 269 O GLU A 19 -0.677 -7.096 -0.001 1.00 0.00 O ATOM 270 CB GLU A 19 1.554 -7.851 2.273 1.00 0.00 C ATOM 271 CG GLU A 19 1.470 -9.354 2.483 1.00 0.00 C ATOM 272 CD GLU A 19 2.797 -10.050 2.252 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.684 -9.941 3.124 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.948 -10.704 1.199 1.00 0.00 O ATOM 0 H GLU A 19 3.349 -6.479 1.277 1.00 0.00 H new ATOM 0 HA GLU A 19 1.512 -8.340 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.462 -7.477 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.713 -7.375 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.129 -9.557 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.723 -9.770 1.807 1.00 0.00 H new ATOM 281 N ALA A 20 0.430 -5.306 0.775 1.00 0.00 N ATOM 282 CA ALA A 20 -0.664 -4.388 0.514 1.00 0.00 C ATOM 283 C ALA A 20 -0.744 -4.059 -0.966 1.00 0.00 C ATOM 284 O ALA A 20 -1.823 -3.820 -1.506 1.00 0.00 O ATOM 285 CB ALA A 20 -0.510 -3.120 1.342 1.00 0.00 C ATOM 0 H ALA A 20 1.258 -4.873 1.184 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.596 -4.873 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.340 -2.445 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.509 -3.375 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.430 -2.630 1.086 1.00 0.00 H new ATOM 291 N LEU A 21 0.409 -4.061 -1.619 1.00 0.00 N ATOM 292 CA LEU A 21 0.478 -3.777 -3.040 1.00 0.00 C ATOM 293 C LEU A 21 0.107 -5.013 -3.845 1.00 0.00 C ATOM 294 O LEU A 21 -0.464 -4.915 -4.931 1.00 0.00 O ATOM 295 CB LEU A 21 1.874 -3.288 -3.422 1.00 0.00 C ATOM 296 CG LEU A 21 1.932 -1.854 -3.948 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.022 -1.691 -5.156 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.551 -0.871 -2.850 1.00 0.00 C ATOM 0 H LEU A 21 1.310 -4.257 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.237 -2.987 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.522 -3.366 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.281 -3.955 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 21 2.954 -1.640 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.076 -0.664 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.341 -2.370 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.005 -1.922 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.597 0.146 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.538 -1.083 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.245 -0.971 -2.015 1.00 0.00 H new ATOM 310 N SER A 22 0.422 -6.177 -3.293 1.00 0.00 N ATOM 311 CA SER A 22 0.111 -7.438 -3.941 1.00 0.00 C ATOM 312 C SER A 22 -1.365 -7.758 -3.770 1.00 0.00 C ATOM 313 O SER A 22 -1.997 -8.344 -4.649 1.00 0.00 O ATOM 314 CB SER A 22 0.967 -8.566 -3.363 1.00 0.00 C ATOM 315 OG SER A 22 2.274 -8.547 -3.912 1.00 0.00 O ATOM 0 H SER A 22 0.895 -6.271 -2.394 1.00 0.00 H new ATOM 0 HA SER A 22 0.335 -7.348 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.023 -8.465 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.496 -9.527 -3.570 1.00 0.00 H new ATOM 0 HG SER A 22 2.802 -9.277 -3.525 1.00 0.00 H new ATOM 321 N ILE A 23 -1.904 -7.356 -2.629 1.00 0.00 N ATOM 322 CA ILE A 23 -3.307 -7.578 -2.321 1.00 0.00 C ATOM 323 C ILE A 23 -4.170 -6.486 -2.936 1.00 0.00 C ATOM 324 O ILE A 23 -5.270 -6.740 -3.426 1.00 0.00 O ATOM 325 CB ILE A 23 -3.540 -7.643 -0.795 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.576 -8.717 -0.460 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.965 -6.292 -0.234 1.00 0.00 C ATOM 328 CD1 ILE A 23 -5.970 -8.384 -0.946 1.00 0.00 C ATOM 0 H ILE A 23 -1.386 -6.871 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.594 -8.538 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.593 -7.909 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.262 -9.663 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.601 -8.862 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.120 -6.377 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.187 -5.555 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.893 -5.976 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.652 -9.189 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.304 -7.454 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.959 -8.268 -2.030 1.00 0.00 H new ATOM 340 N TYR A 24 -3.647 -5.272 -2.902 1.00 0.00 N ATOM 341 CA TYR A 24 -4.335 -4.114 -3.452 1.00 0.00 C ATOM 342 C TYR A 24 -3.565 -3.523 -4.632 1.00 0.00 C ATOM 343 O TYR A 24 -2.798 -2.575 -4.468 1.00 0.00 O ATOM 344 CB TYR A 24 -4.533 -3.044 -2.387 1.00 0.00 C ATOM 345 CG TYR A 24 -5.165 -3.550 -1.112 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.410 -4.166 -1.125 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.516 -3.406 0.107 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.990 -4.626 0.042 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.089 -3.864 1.279 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.326 -4.474 1.241 1.00 0.00 C ATOM 351 OH TYR A 24 -6.900 -4.933 2.405 1.00 0.00 O ATOM 0 H TYR A 24 -2.736 -5.061 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.310 -4.452 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.566 -2.601 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.156 -2.249 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.933 -4.287 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.548 -2.928 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.959 -5.102 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.571 -3.745 2.219 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.629 -5.862 2.559 1.00 0.00 H new ATOM 361 N PRO A 25 -3.762 -4.074 -5.842 1.00 0.00 N ATOM 362 CA PRO A 25 -3.093 -3.600 -7.044 1.00 0.00 C ATOM 363 C PRO A 25 -3.840 -2.443 -7.703 1.00 0.00 C ATOM 364 O PRO A 25 -4.995 -2.172 -7.374 1.00 0.00 O ATOM 365 CB PRO A 25 -3.087 -4.829 -7.962 1.00 0.00 C ATOM 366 CG PRO A 25 -4.015 -5.834 -7.346 1.00 0.00 C ATOM 367 CD PRO A 25 -4.651 -5.196 -6.140 1.00 0.00 C ATOM 0 HA PRO A 25 -2.098 -3.211 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.417 -4.563 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.081 -5.238 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.777 -6.140 -8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.469 -6.733 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.666 -4.859 -6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.714 -5.892 -5.303 1.00 0.00 H new ATOM 375 N PRO A 26 -3.186 -1.738 -8.642 1.00 0.00 N ATOM 376 CA PRO A 26 -3.792 -0.603 -9.343 1.00 0.00 C ATOM 377 C PRO A 26 -4.845 -1.030 -10.357 1.00 0.00 C ATOM 378 O PRO A 26 -5.750 -0.264 -10.691 1.00 0.00 O ATOM 379 CB PRO A 26 -2.606 0.050 -10.047 1.00 0.00 C ATOM 380 CG PRO A 26 -1.651 -1.065 -10.270 1.00 0.00 C ATOM 381 CD PRO A 26 -1.804 -1.988 -9.092 1.00 0.00 C ATOM 0 HA PRO A 26 -4.320 0.060 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.907 0.510 -10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.164 0.836 -9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.870 -1.585 -11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.629 -0.694 -10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.656 -3.030 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.079 -1.764 -8.309 1.00 0.00 H new ATOM 389 N CYS A 27 -4.719 -2.255 -10.845 1.00 0.00 N ATOM 390 CA CYS A 27 -5.645 -2.793 -11.819 1.00 0.00 C ATOM 391 C CYS A 27 -7.008 -3.063 -11.190 1.00 0.00 C ATOM 392 O CYS A 27 -7.105 -3.372 -10.003 1.00 0.00 O ATOM 393 CB CYS A 27 -5.073 -4.078 -12.407 1.00 0.00 C ATOM 394 SG CYS A 27 -4.630 -5.325 -11.176 1.00 0.00 S ATOM 0 H CYS A 27 -3.974 -2.898 -10.576 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.782 -2.058 -12.612 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.803 -4.506 -13.094 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.188 -3.833 -12.994 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.347 -5.293 -10.968 1.00 0.00 H new ATOM 400 N GLY A 28 -8.059 -2.947 -11.995 1.00 0.00 N ATOM 401 CA GLY A 28 -9.403 -3.184 -11.501 1.00 0.00 C ATOM 402 C GLY A 28 -9.774 -2.258 -10.358 1.00 0.00 C ATOM 403 O GLY A 28 -10.110 -2.715 -9.266 1.00 0.00 O ATOM 0 H GLY A 28 -8.004 -2.693 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.115 -3.053 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.487 -4.219 -11.168 1.00 0.00 H new ATOM 407 N ARG A 29 -9.714 -0.955 -10.611 1.00 0.00 N ATOM 408 CA ARG A 29 -10.047 0.037 -9.594 1.00 0.00 C ATOM 409 C ARG A 29 -11.481 -0.144 -9.108 1.00 0.00 C ATOM 410 O ARG A 29 -12.419 0.397 -9.694 1.00 0.00 O ATOM 411 CB ARG A 29 -9.858 1.450 -10.148 1.00 0.00 C ATOM 412 CG ARG A 29 -10.475 1.652 -11.523 1.00 0.00 C ATOM 413 CD ARG A 29 -10.743 3.122 -11.802 1.00 0.00 C ATOM 414 NE ARG A 29 -11.644 3.712 -10.814 1.00 0.00 N ATOM 415 CZ ARG A 29 -12.079 4.968 -10.865 1.00 0.00 C ATOM 416 NH1 ARG A 29 -11.699 5.771 -11.852 1.00 0.00 N ATOM 417 NH2 ARG A 29 -12.897 5.425 -9.926 1.00 0.00 N ATOM 0 H ARG A 29 -9.438 -0.561 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.375 -0.106 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.297 2.166 -9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.792 1.671 -10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.807 1.252 -12.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.408 1.092 -11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.800 3.668 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.176 3.229 -12.797 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.958 3.126 -10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.070 5.426 -12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.036 6.733 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.192 4.813 -9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.231 6.388 -9.965 1.00 0.00 H new ATOM 431 N ARG A 30 -11.644 -0.909 -8.034 1.00 0.00 N ATOM 432 CA ARG A 30 -12.964 -1.163 -7.468 1.00 0.00 C ATOM 433 C ARG A 30 -13.610 0.132 -6.987 1.00 0.00 C ATOM 434 O ARG A 30 -13.037 1.213 -7.126 1.00 0.00 O ATOM 435 CB ARG A 30 -12.862 -2.157 -6.309 1.00 0.00 C ATOM 436 CG ARG A 30 -14.040 -3.113 -6.223 1.00 0.00 C ATOM 437 CD ARG A 30 -13.626 -4.457 -5.645 1.00 0.00 C ATOM 438 NE ARG A 30 -13.926 -4.556 -4.219 1.00 0.00 N ATOM 439 CZ ARG A 30 -15.140 -4.807 -3.733 1.00 0.00 C ATOM 440 NH1 ARG A 30 -16.168 -4.985 -4.554 1.00 0.00 N ATOM 441 NH2 ARG A 30 -15.326 -4.881 -2.422 1.00 0.00 N ATOM 0 H ARG A 30 -10.878 -1.364 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.591 -1.590 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.943 -2.734 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.784 -1.604 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.821 -2.674 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.465 -3.258 -7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.140 -5.255 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.558 -4.605 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.161 -4.425 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.030 -4.930 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.096 -5.177 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.539 -4.746 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.256 -5.073 -2.049 1.00 0.00 H new ATOM 455 N LYS A 31 -14.805 0.014 -6.418 1.00 0.00 N ATOM 456 CA LYS A 31 -15.529 1.169 -5.914 1.00 0.00 C ATOM 457 C LYS A 31 -16.420 0.781 -4.738 1.00 0.00 C ATOM 458 O LYS A 31 -16.915 -0.344 -4.667 1.00 0.00 O ATOM 459 CB LYS A 31 -16.371 1.799 -7.024 1.00 0.00 C ATOM 460 CG LYS A 31 -15.595 2.767 -7.901 1.00 0.00 C ATOM 461 CD LYS A 31 -16.393 3.166 -9.133 1.00 0.00 C ATOM 462 CE LYS A 31 -16.194 4.633 -9.475 1.00 0.00 C ATOM 463 NZ LYS A 31 -17.006 5.044 -10.653 1.00 0.00 N ATOM 0 H LYS A 31 -15.292 -0.874 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.798 1.900 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.784 1.007 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.214 2.324 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.342 3.658 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.655 2.308 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.090 2.550 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.452 2.972 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.465 5.246 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.139 4.818 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.842 6.051 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.730 4.477 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.014 4.891 -10.450 1.00 0.00 H new ATOM 477 N ILE A 32 -16.619 1.718 -3.817 1.00 0.00 N ATOM 478 CA ILE A 32 -17.446 1.477 -2.648 1.00 0.00 C ATOM 479 C ILE A 32 -18.198 2.740 -2.239 1.00 0.00 C ATOM 480 O ILE A 32 -18.056 3.790 -2.866 1.00 0.00 O ATOM 481 CB ILE A 32 -16.620 0.970 -1.444 1.00 0.00 C ATOM 482 CG1 ILE A 32 -15.145 0.796 -1.818 1.00 0.00 C ATOM 483 CG2 ILE A 32 -17.193 -0.340 -0.922 1.00 0.00 C ATOM 484 CD1 ILE A 32 -14.422 2.105 -2.052 1.00 0.00 C ATOM 0 H ILE A 32 -16.216 2.654 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.158 0.701 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.681 1.720 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.639 0.248 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.076 0.186 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.600 -0.684 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -18.224 -0.185 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.165 -1.090 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.383 1.905 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.903 2.646 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.459 2.708 -1.145 1.00 0.00 H new ATOM 496 N ILE A 33 -19.000 2.629 -1.185 1.00 0.00 N ATOM 497 CA ILE A 33 -19.774 3.757 -0.691 1.00 0.00 C ATOM 498 C ILE A 33 -20.335 3.471 0.700 1.00 0.00 C ATOM 499 O ILE A 33 -20.642 2.326 1.032 1.00 0.00 O ATOM 500 CB ILE A 33 -20.930 4.103 -1.651 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.591 5.419 -1.239 1.00 0.00 C ATOM 502 CG2 ILE A 33 -21.952 2.975 -1.688 1.00 0.00 C ATOM 503 CD1 ILE A 33 -20.727 6.635 -1.495 1.00 0.00 C ATOM 0 H ILE A 33 -19.129 1.766 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.098 4.610 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 33 -20.521 4.224 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -22.530 5.530 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -21.838 5.376 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -22.760 3.238 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.471 2.059 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -22.358 2.819 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -21.259 7.532 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -19.798 6.546 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -20.501 6.703 -2.559 1.00 0.00 H new ATOM 515 N LEU A 34 -20.463 4.517 1.510 1.00 0.00 N ATOM 516 CA LEU A 34 -20.981 4.379 2.860 1.00 0.00 C ATOM 517 C LEU A 34 -22.461 4.746 2.920 1.00 0.00 C ATOM 518 O LEU A 34 -22.951 5.226 3.942 1.00 0.00 O ATOM 519 CB LEU A 34 -20.182 5.248 3.841 1.00 0.00 C ATOM 520 CG LEU A 34 -19.396 6.405 3.218 1.00 0.00 C ATOM 521 CD1 LEU A 34 -20.344 7.436 2.625 1.00 0.00 C ATOM 522 CD2 LEU A 34 -18.486 7.049 4.253 1.00 0.00 C ATOM 0 H LEU A 34 -20.213 5.471 1.251 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.874 3.334 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.872 5.658 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.483 4.607 4.379 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.776 6.007 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.768 8.251 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.955 6.967 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.990 7.830 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.935 7.869 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.087 7.433 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.783 6.307 4.631 1.00 0.00 H new ATOM 534 N SER A 35 -23.170 4.518 1.819 1.00 0.00 N ATOM 535 CA SER A 35 -24.592 4.825 1.750 1.00 0.00 C ATOM 536 C SER A 35 -25.404 3.845 2.589 1.00 0.00 C ATOM 537 O SER A 35 -26.494 4.169 3.061 1.00 0.00 O ATOM 538 CB SER A 35 -25.073 4.798 0.298 1.00 0.00 C ATOM 539 OG SER A 35 -24.167 4.087 -0.528 1.00 0.00 O ATOM 0 H SER A 35 -22.782 4.122 0.963 1.00 0.00 H new ATOM 0 HA SER A 35 -24.741 5.826 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 35 -26.058 4.333 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 35 -25.182 5.818 -0.071 1.00 0.00 H new ATOM 0 HG SER A 35 -24.571 3.945 -1.410 1.00 0.00 H new ATOM 545 N ASP A 36 -24.865 2.646 2.769 1.00 0.00 N ATOM 546 CA ASP A 36 -25.529 1.616 3.547 1.00 0.00 C ATOM 547 C ASP A 36 -24.620 1.100 4.659 1.00 0.00 C ATOM 548 O ASP A 36 -24.990 1.113 5.833 1.00 0.00 O ATOM 549 CB ASP A 36 -25.962 0.460 2.641 1.00 0.00 C ATOM 550 CG ASP A 36 -27.469 0.372 2.497 1.00 0.00 C ATOM 551 OD1 ASP A 36 -28.050 1.231 1.802 1.00 0.00 O ATOM 552 OD2 ASP A 36 -28.067 -0.557 3.080 1.00 0.00 O ATOM 0 H ASP A 36 -23.964 2.365 2.383 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.414 2.057 4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.512 0.586 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -25.583 -0.478 3.047 1.00 0.00 H new ATOM 557 N GLU A 37 -23.430 0.645 4.280 1.00 0.00 N ATOM 558 CA GLU A 37 -22.469 0.124 5.245 1.00 0.00 C ATOM 559 C GLU A 37 -22.066 1.193 6.256 1.00 0.00 C ATOM 560 O GLU A 37 -21.630 0.880 7.364 1.00 0.00 O ATOM 561 CB GLU A 37 -21.233 -0.412 4.525 1.00 0.00 C ATOM 562 CG GLU A 37 -21.003 -1.896 4.735 1.00 0.00 C ATOM 563 CD GLU A 37 -19.681 -2.194 5.416 1.00 0.00 C ATOM 564 OE1 GLU A 37 -18.655 -2.279 4.709 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.672 -2.343 6.656 1.00 0.00 O ATOM 0 H GLU A 37 -23.108 0.627 3.312 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.947 -0.692 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.331 -0.216 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.356 0.135 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.816 -2.304 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.033 -2.404 3.771 1.00 0.00 H new ATOM 572 N GLY A 38 -22.215 2.453 5.868 1.00 0.00 N ATOM 573 CA GLY A 38 -21.863 3.550 6.752 1.00 0.00 C ATOM 574 C GLY A 38 -20.417 3.495 7.203 1.00 0.00 C ATOM 575 O GLY A 38 -20.052 4.091 8.216 1.00 0.00 O ATOM 0 H GLY A 38 -22.574 2.736 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.045 4.496 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.513 3.530 7.626 1.00 0.00 H new ATOM 579 N LYS A 39 -19.590 2.790 6.441 1.00 0.00 N ATOM 580 CA LYS A 39 -18.182 2.668 6.748 1.00 0.00 C ATOM 581 C LYS A 39 -17.369 2.601 5.465 1.00 0.00 C ATOM 582 O LYS A 39 -17.126 1.524 4.920 1.00 0.00 O ATOM 583 CB LYS A 39 -17.924 1.426 7.603 1.00 0.00 C ATOM 584 CG LYS A 39 -17.989 1.691 9.098 1.00 0.00 C ATOM 585 CD LYS A 39 -19.351 1.332 9.669 1.00 0.00 C ATOM 586 CE LYS A 39 -19.287 1.129 11.174 1.00 0.00 C ATOM 587 NZ LYS A 39 -18.656 -0.171 11.533 1.00 0.00 N ATOM 0 H LYS A 39 -19.880 2.292 5.599 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.874 3.547 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.656 0.660 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.942 1.023 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.217 1.112 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.778 2.743 9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.064 2.123 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.718 0.423 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.722 1.944 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -20.294 1.171 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.782 -0.349 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.104 -0.936 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.640 -0.137 11.311 1.00 0.00 H new ATOM 601 N MET A 40 -16.948 3.762 4.996 1.00 0.00 N ATOM 602 CA MET A 40 -16.155 3.862 3.786 1.00 0.00 C ATOM 603 C MET A 40 -15.205 5.051 3.866 1.00 0.00 C ATOM 604 O MET A 40 -15.525 6.149 3.411 1.00 0.00 O ATOM 605 CB MET A 40 -17.061 3.991 2.560 1.00 0.00 C ATOM 606 CG MET A 40 -16.624 3.128 1.387 1.00 0.00 C ATOM 607 SD MET A 40 -15.532 4.003 0.251 1.00 0.00 S ATOM 608 CE MET A 40 -16.600 5.337 -0.287 1.00 0.00 C ATOM 0 H MET A 40 -17.146 4.658 5.442 1.00 0.00 H new ATOM 0 HA MET A 40 -15.565 2.951 3.688 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.079 3.720 2.841 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.085 5.034 2.244 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.115 2.241 1.763 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.505 2.784 0.846 1.00 0.00 H new ATOM 0 HE1 MET A 40 -16.791 5.241 -1.356 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.544 5.289 0.256 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.116 6.293 -0.089 1.00 0.00 H new ATOM 618 N TYR A 41 -14.036 4.819 4.447 1.00 0.00 N ATOM 619 CA TYR A 41 -13.033 5.862 4.592 1.00 0.00 C ATOM 620 C TYR A 41 -12.037 5.822 3.437 1.00 0.00 C ATOM 621 O TYR A 41 -12.188 5.035 2.502 1.00 0.00 O ATOM 622 CB TYR A 41 -12.288 5.739 5.931 1.00 0.00 C ATOM 623 CG TYR A 41 -12.441 4.396 6.614 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.619 4.058 7.267 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.406 3.468 6.604 1.00 0.00 C ATOM 626 CE1 TYR A 41 -13.762 2.834 7.892 1.00 0.00 C ATOM 627 CE2 TYR A 41 -11.542 2.242 7.226 1.00 0.00 C ATOM 628 CZ TYR A 41 -12.721 1.930 7.869 1.00 0.00 C ATOM 629 OH TYR A 41 -12.860 0.709 8.490 1.00 0.00 O ATOM 0 H TYR A 41 -13.759 3.914 4.827 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.554 6.819 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.228 5.927 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.646 6.518 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.437 4.763 7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.481 3.709 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.685 2.587 8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.729 1.531 7.209 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.036 0.190 8.380 1.00 0.00 H new ATOM 639 N GLY A 42 -11.021 6.676 3.507 1.00 0.00 N ATOM 640 CA GLY A 42 -10.014 6.725 2.461 1.00 0.00 C ATOM 641 C GLY A 42 -9.406 5.366 2.171 1.00 0.00 C ATOM 642 O GLY A 42 -9.164 4.578 3.086 1.00 0.00 O ATOM 0 H GLY A 42 -10.876 7.337 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.462 7.120 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.224 7.417 2.754 1.00 0.00 H new ATOM 646 N ARG A 43 -9.160 5.091 0.894 1.00 0.00 N ATOM 647 CA ARG A 43 -8.577 3.819 0.484 1.00 0.00 C ATOM 648 C ARG A 43 -7.189 3.628 1.086 1.00 0.00 C ATOM 649 O ARG A 43 -6.727 2.501 1.262 1.00 0.00 O ATOM 650 CB ARG A 43 -8.506 3.737 -1.039 1.00 0.00 C ATOM 651 CG ARG A 43 -9.364 2.630 -1.630 1.00 0.00 C ATOM 652 CD ARG A 43 -9.949 3.036 -2.972 1.00 0.00 C ATOM 653 NE ARG A 43 -8.938 3.602 -3.862 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.221 4.348 -4.928 1.00 0.00 C ATOM 655 NH1 ARG A 43 -10.482 4.620 -5.240 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.241 4.824 -5.683 1.00 0.00 N ATOM 0 H ARG A 43 -9.355 5.732 0.125 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.219 3.020 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.819 4.692 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.470 3.581 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.764 1.728 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.171 2.385 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.404 2.167 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.743 3.766 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.957 3.415 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.240 4.257 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.693 5.192 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.270 4.619 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.458 5.395 -6.500 1.00 0.00 H new ATOM 670 N ASN A 44 -6.531 4.737 1.397 1.00 0.00 N ATOM 671 CA ASN A 44 -5.194 4.694 1.978 1.00 0.00 C ATOM 672 C ASN A 44 -5.207 3.993 3.331 1.00 0.00 C ATOM 673 O ASN A 44 -4.204 3.419 3.755 1.00 0.00 O ATOM 674 CB ASN A 44 -4.632 6.107 2.121 1.00 0.00 C ATOM 675 CG ASN A 44 -3.384 6.321 1.287 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.197 5.680 0.253 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.521 7.226 1.734 1.00 0.00 N ATOM 0 H ASN A 44 -6.900 5.677 1.257 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.552 4.124 1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.392 6.829 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.402 6.299 3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.663 7.413 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.716 7.735 2.596 1.00 0.00 H new ATOM 684 N GLU A 45 -6.349 4.043 4.002 1.00 0.00 N ATOM 685 CA GLU A 45 -6.497 3.411 5.304 1.00 0.00 C ATOM 686 C GLU A 45 -6.578 1.895 5.168 1.00 0.00 C ATOM 687 O GLU A 45 -6.264 1.160 6.104 1.00 0.00 O ATOM 688 CB GLU A 45 -7.743 3.941 6.015 1.00 0.00 C ATOM 689 CG GLU A 45 -7.560 4.118 7.514 1.00 0.00 C ATOM 690 CD GLU A 45 -8.663 4.947 8.142 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.584 6.191 8.070 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.606 4.352 8.706 1.00 0.00 O ATOM 0 H GLU A 45 -7.188 4.516 3.665 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.618 3.656 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.022 4.899 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.572 3.256 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.531 3.138 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.599 4.595 7.705 1.00 0.00 H new ATOM 699 N LEU A 46 -7.001 1.435 3.997 1.00 0.00 N ATOM 700 CA LEU A 46 -7.126 0.010 3.735 1.00 0.00 C ATOM 701 C LEU A 46 -5.767 -0.621 3.483 1.00 0.00 C ATOM 702 O LEU A 46 -5.501 -1.744 3.912 1.00 0.00 O ATOM 703 CB LEU A 46 -8.049 -0.235 2.544 1.00 0.00 C ATOM 704 CG LEU A 46 -9.186 -1.226 2.794 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.978 -1.460 1.517 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.637 -2.540 3.330 1.00 0.00 C ATOM 0 H LEU A 46 -7.264 2.032 3.213 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.560 -0.457 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.480 0.718 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.450 -0.598 1.709 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.856 -0.802 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.783 -2.168 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.400 -0.516 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.319 -1.864 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.459 -3.234 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.946 -2.969 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.112 -2.359 4.268 1.00 0.00 H new ATOM 718 N ILE A 47 -4.911 0.109 2.791 1.00 0.00 N ATOM 719 CA ILE A 47 -3.576 -0.374 2.486 1.00 0.00 C ATOM 720 C ILE A 47 -2.672 -0.237 3.698 1.00 0.00 C ATOM 721 O ILE A 47 -1.768 -1.044 3.910 1.00 0.00 O ATOM 722 CB ILE A 47 -2.935 0.355 1.280 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.607 1.706 1.015 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.999 -0.518 0.036 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.913 2.527 -0.049 1.00 0.00 C ATOM 0 H ILE A 47 -5.117 1.040 2.429 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.682 -1.425 2.216 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.891 0.545 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.641 1.536 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.635 2.277 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.544 0.009 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.459 -1.448 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.040 -0.742 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.443 3.470 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.887 2.728 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.909 1.975 -0.989 1.00 0.00 H new ATOM 737 N ALA A 48 -2.935 0.783 4.499 1.00 0.00 N ATOM 738 CA ALA A 48 -2.160 1.021 5.701 1.00 0.00 C ATOM 739 C ALA A 48 -2.619 0.100 6.821 1.00 0.00 C ATOM 740 O ALA A 48 -1.856 -0.214 7.734 1.00 0.00 O ATOM 741 CB ALA A 48 -2.259 2.479 6.124 1.00 0.00 C ATOM 0 H ALA A 48 -3.681 1.459 4.336 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.114 0.802 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.670 2.636 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.877 3.116 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.301 2.731 6.321 1.00 0.00 H new ATOM 747 N ARG A 49 -3.867 -0.347 6.735 1.00 0.00 N ATOM 748 CA ARG A 49 -4.412 -1.251 7.729 1.00 0.00 C ATOM 749 C ARG A 49 -3.836 -2.644 7.532 1.00 0.00 C ATOM 750 O ARG A 49 -3.700 -3.416 8.482 1.00 0.00 O ATOM 751 CB ARG A 49 -5.940 -1.290 7.647 1.00 0.00 C ATOM 752 CG ARG A 49 -6.580 -2.221 8.663 1.00 0.00 C ATOM 753 CD ARG A 49 -8.013 -2.558 8.285 1.00 0.00 C ATOM 754 NE ARG A 49 -8.885 -2.635 9.455 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.383 -1.570 10.079 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.100 -0.346 9.649 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.168 -1.728 11.136 1.00 0.00 N ATOM 0 H ARG A 49 -4.515 -0.097 5.988 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.135 -0.888 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.329 -0.283 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.234 -1.602 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.996 -3.139 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.563 -1.754 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.394 -1.802 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.034 -3.510 7.754 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.126 -3.559 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.498 -0.218 8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.485 0.466 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.390 -2.666 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.550 -0.912 11.614 1.00 0.00 H new ATOM 771 N TYR A 50 -3.481 -2.950 6.290 1.00 0.00 N ATOM 772 CA TYR A 50 -2.899 -4.238 5.959 1.00 0.00 C ATOM 773 C TYR A 50 -1.507 -4.352 6.542 1.00 0.00 C ATOM 774 O TYR A 50 -1.190 -5.301 7.259 1.00 0.00 O ATOM 775 CB TYR A 50 -2.841 -4.424 4.452 1.00 0.00 C ATOM 776 CG TYR A 50 -2.782 -5.871 4.021 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.597 -6.589 4.111 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.906 -6.518 3.525 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.533 -7.911 3.719 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.851 -7.842 3.131 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.661 -8.534 3.230 1.00 0.00 C ATOM 782 OH TYR A 50 -2.601 -9.851 2.839 1.00 0.00 O ATOM 0 H TYR A 50 -3.588 -2.319 5.496 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.529 -5.018 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.717 -3.956 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.966 -3.902 4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.711 -6.105 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.838 -5.978 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.603 -8.455 3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.734 -8.332 2.748 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.482 -10.138 2.520 1.00 0.00 H new ATOM 792 N ILE A 51 -0.686 -3.367 6.234 1.00 0.00 N ATOM 793 CA ILE A 51 0.676 -3.331 6.726 1.00 0.00 C ATOM 794 C ILE A 51 0.690 -3.176 8.237 1.00 0.00 C ATOM 795 O ILE A 51 1.544 -3.732 8.927 1.00 0.00 O ATOM 796 CB ILE A 51 1.484 -2.186 6.089 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.601 -0.965 5.817 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.151 -2.662 4.808 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.300 0.353 6.071 1.00 0.00 C ATOM 0 H ILE A 51 -0.941 -2.577 5.642 1.00 0.00 H new ATOM 0 HA ILE A 51 1.143 -4.276 6.448 1.00 0.00 H new ATOM 0 HB ILE A 51 2.257 -1.884 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.263 -0.994 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.288 -1.023 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.719 -1.843 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.823 -3.490 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.389 -2.995 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.616 1.175 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.614 0.403 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.174 0.432 5.424 1.00 0.00 H new ATOM 811 N LYS A 52 -0.274 -2.421 8.739 1.00 0.00 N ATOM 812 CA LYS A 52 -0.398 -2.186 10.168 1.00 0.00 C ATOM 813 C LYS A 52 -0.896 -3.438 10.881 1.00 0.00 C ATOM 814 O LYS A 52 -0.631 -3.638 12.066 1.00 0.00 O ATOM 815 CB LYS A 52 -1.350 -1.019 10.435 1.00 0.00 C ATOM 816 CG LYS A 52 -0.727 0.345 10.183 1.00 0.00 C ATOM 817 CD LYS A 52 -0.415 1.066 11.484 1.00 0.00 C ATOM 818 CE LYS A 52 -1.679 1.360 12.276 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.485 1.137 13.736 1.00 0.00 N ATOM 0 H LYS A 52 -0.986 -1.958 8.174 1.00 0.00 H new ATOM 0 HA LYS A 52 0.589 -1.935 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.232 -1.129 9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.690 -1.068 11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.189 0.226 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.407 0.951 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.259 0.457 12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.106 1.999 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.983 2.392 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.489 0.725 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.370 1.348 14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.220 0.145 13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.730 1.761 14.085 1.00 0.00 H new ATOM 833 N LEU A 53 -1.622 -4.277 10.149 1.00 0.00 N ATOM 834 CA LEU A 53 -2.160 -5.507 10.707 1.00 0.00 C ATOM 835 C LEU A 53 -1.137 -6.636 10.645 1.00 0.00 C ATOM 836 O LEU A 53 -1.190 -7.579 11.436 1.00 0.00 O ATOM 837 CB LEU A 53 -3.434 -5.915 9.964 1.00 0.00 C ATOM 838 CG LEU A 53 -4.071 -7.222 10.439 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.578 -7.183 10.242 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.465 -8.407 9.702 1.00 0.00 C ATOM 0 H LEU A 53 -1.850 -4.125 9.167 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.400 -5.322 11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.167 -5.114 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.204 -6.006 8.902 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.868 -7.339 11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.014 -8.121 10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.998 -6.356 10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.803 -7.044 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.929 -9.329 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.638 -8.297 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.393 -8.445 9.894 1.00 0.00 H new ATOM 852 N ARG A 54 -0.212 -6.537 9.699 1.00 0.00 N ATOM 853 CA ARG A 54 0.819 -7.550 9.528 1.00 0.00 C ATOM 854 C ARG A 54 1.890 -7.434 10.603 1.00 0.00 C ATOM 855 O ARG A 54 2.132 -8.370 11.365 1.00 0.00 O ATOM 856 CB ARG A 54 1.454 -7.430 8.141 1.00 0.00 C ATOM 857 CG ARG A 54 0.912 -8.433 7.136 1.00 0.00 C ATOM 858 CD ARG A 54 1.746 -9.704 7.112 1.00 0.00 C ATOM 859 NE ARG A 54 1.496 -10.546 8.279 1.00 0.00 N ATOM 860 CZ ARG A 54 0.432 -11.336 8.409 1.00 0.00 C ATOM 861 NH1 ARG A 54 -0.481 -11.394 7.448 1.00 0.00 N ATOM 862 NH2 ARG A 54 0.282 -12.069 9.504 1.00 0.00 N ATOM 0 H ARG A 54 -0.155 -5.763 9.037 1.00 0.00 H new ATOM 0 HA ARG A 54 0.347 -8.528 9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.289 -6.422 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.532 -7.564 8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.120 -8.679 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.901 -7.985 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.523 -10.266 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.804 -9.443 7.074 1.00 0.00 H new ATOM 0 HE ARG A 54 2.176 -10.528 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.370 -10.832 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.294 -12.001 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.981 -12.027 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.533 -12.675 9.605 1.00 0.00 H new ATOM 876 N THR A 55 2.526 -6.278 10.651 1.00 0.00 N ATOM 877 CA THR A 55 3.578 -6.017 11.622 1.00 0.00 C ATOM 878 C THR A 55 2.996 -5.666 12.988 1.00 0.00 C ATOM 879 O THR A 55 3.658 -5.820 14.014 1.00 0.00 O ATOM 880 CB THR A 55 4.489 -4.887 11.133 1.00 0.00 C ATOM 881 OG1 THR A 55 3.860 -4.143 10.103 1.00 0.00 O ATOM 882 CG2 THR A 55 5.818 -5.378 10.600 1.00 0.00 C ATOM 0 H THR A 55 2.332 -5.497 10.024 1.00 0.00 H new ATOM 0 HA THR A 55 4.167 -6.928 11.727 1.00 0.00 H new ATOM 0 HB THR A 55 4.674 -4.267 12.010 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.719 -3.221 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.415 -4.527 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.351 -5.912 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.647 -6.049 9.758 1.00 0.00 H new ATOM 890 N GLY A 56 1.756 -5.194 12.992 1.00 0.00 N ATOM 891 CA GLY A 56 1.104 -4.827 14.234 1.00 0.00 C ATOM 892 C GLY A 56 1.698 -3.581 14.867 1.00 0.00 C ATOM 893 O GLY A 56 1.359 -3.234 15.999 1.00 0.00 O ATOM 0 H GLY A 56 1.189 -5.059 12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.043 -4.663 14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.179 -5.657 14.937 1.00 0.00 H new ATOM 897 N LYS A 57 2.584 -2.904 14.140 1.00 0.00 N ATOM 898 CA LYS A 57 3.218 -1.695 14.640 1.00 0.00 C ATOM 899 C LYS A 57 3.950 -0.963 13.520 1.00 0.00 C ATOM 900 O LYS A 57 5.143 -1.173 13.302 1.00 0.00 O ATOM 901 CB LYS A 57 4.188 -2.037 15.764 1.00 0.00 C ATOM 902 CG LYS A 57 4.053 -1.138 16.982 1.00 0.00 C ATOM 903 CD LYS A 57 4.386 0.307 16.646 1.00 0.00 C ATOM 904 CE LYS A 57 4.816 1.081 17.882 1.00 0.00 C ATOM 905 NZ LYS A 57 5.321 2.439 17.539 1.00 0.00 N ATOM 0 H LYS A 57 2.877 -3.176 13.202 1.00 0.00 H new ATOM 0 HA LYS A 57 2.441 -1.037 15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.028 -3.072 16.068 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.208 -1.970 15.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.036 -1.198 17.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.716 -1.491 17.772 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.183 0.335 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.516 0.788 16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.972 1.170 18.567 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.594 0.526 18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.604 2.934 18.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.142 2.354 16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.570 2.978 17.062 1.00 0.00 H new ATOM 919 N THR A 58 3.226 -0.101 12.814 1.00 0.00 N ATOM 920 CA THR A 58 3.800 0.665 11.720 1.00 0.00 C ATOM 921 C THR A 58 3.118 2.022 11.586 1.00 0.00 C ATOM 922 O THR A 58 2.089 2.278 12.211 1.00 0.00 O ATOM 923 CB THR A 58 3.692 -0.106 10.408 1.00 0.00 C ATOM 924 OG1 THR A 58 3.313 -1.451 10.638 1.00 0.00 O ATOM 925 CG2 THR A 58 4.982 -0.120 9.615 1.00 0.00 C ATOM 0 H THR A 58 2.237 0.083 12.983 1.00 0.00 H new ATOM 0 HA THR A 58 4.854 0.829 11.945 1.00 0.00 H new ATOM 0 HB THR A 58 2.932 0.420 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.668 -1.731 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.837 -0.684 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.271 0.903 9.372 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.768 -0.588 10.207 1.00 0.00 H new ATOM 933 N ARG A 59 3.691 2.882 10.751 1.00 0.00 N ATOM 934 CA ARG A 59 3.139 4.200 10.511 1.00 0.00 C ATOM 935 C ARG A 59 3.582 4.706 9.146 1.00 0.00 C ATOM 936 O ARG A 59 4.335 5.674 9.037 1.00 0.00 O ATOM 937 CB ARG A 59 3.578 5.174 11.607 1.00 0.00 C ATOM 938 CG ARG A 59 2.558 5.333 12.723 1.00 0.00 C ATOM 939 CD ARG A 59 3.234 5.525 14.071 1.00 0.00 C ATOM 940 NE ARG A 59 3.397 6.938 14.406 1.00 0.00 N ATOM 941 CZ ARG A 59 3.717 7.381 15.620 1.00 0.00 C ATOM 942 NH1 ARG A 59 3.909 6.525 16.616 1.00 0.00 N ATOM 943 NH2 ARG A 59 3.845 8.682 15.838 1.00 0.00 N ATOM 0 H ARG A 59 4.544 2.683 10.228 1.00 0.00 H new ATOM 0 HA ARG A 59 2.051 4.133 10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.520 4.828 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.770 6.149 11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.916 6.188 12.512 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.916 4.453 12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.644 5.035 14.845 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.210 5.040 14.059 1.00 0.00 H new ATOM 0 HE ARG A 59 3.257 7.626 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.812 5.523 16.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.154 6.869 17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.698 9.344 15.076 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.090 9.022 16.768 1.00 0.00 H new ATOM 957 N THR A 60 3.102 4.037 8.108 1.00 0.00 N ATOM 958 CA THR A 60 3.431 4.397 6.741 1.00 0.00 C ATOM 959 C THR A 60 2.206 4.281 5.839 1.00 0.00 C ATOM 960 O THR A 60 1.871 3.192 5.372 1.00 0.00 O ATOM 961 CB THR A 60 4.561 3.511 6.213 1.00 0.00 C ATOM 962 OG1 THR A 60 4.915 2.523 7.164 1.00 0.00 O ATOM 963 CG2 THR A 60 5.815 4.285 5.866 1.00 0.00 C ATOM 0 H THR A 60 2.478 3.235 8.191 1.00 0.00 H new ATOM 0 HA THR A 60 3.765 5.434 6.735 1.00 0.00 H new ATOM 0 HB THR A 60 4.168 3.057 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.638 1.967 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.577 3.598 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.587 5.021 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.186 4.795 6.755 1.00 0.00 H new ATOM 971 N ARG A 61 1.539 5.405 5.599 1.00 0.00 N ATOM 972 CA ARG A 61 0.356 5.423 4.756 1.00 0.00 C ATOM 973 C ARG A 61 0.634 6.135 3.443 1.00 0.00 C ATOM 974 O ARG A 61 0.218 5.685 2.375 1.00 0.00 O ATOM 975 CB ARG A 61 -0.810 6.095 5.483 1.00 0.00 C ATOM 976 CG ARG A 61 -1.023 5.581 6.898 1.00 0.00 C ATOM 977 CD ARG A 61 -1.475 6.692 7.832 1.00 0.00 C ATOM 978 NE ARG A 61 -1.392 6.295 9.236 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.279 5.504 9.836 1.00 0.00 C ATOM 980 NH1 ARG A 61 -3.315 5.023 9.160 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.129 5.191 11.116 1.00 0.00 N ATOM 0 H ARG A 61 1.800 6.315 5.978 1.00 0.00 H new ATOM 0 HA ARG A 61 0.085 4.391 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.634 7.170 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.723 5.941 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.769 4.786 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.096 5.145 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.859 7.576 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.502 6.970 7.594 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.609 6.644 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.435 5.259 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.991 4.417 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.334 5.556 11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.808 4.585 11.576 1.00 0.00 H new ATOM 995 N LYS A 62 1.343 7.246 3.534 1.00 0.00 N ATOM 996 CA LYS A 62 1.690 8.031 2.359 1.00 0.00 C ATOM 997 C LYS A 62 2.693 7.285 1.492 1.00 0.00 C ATOM 998 O LYS A 62 2.710 7.434 0.270 1.00 0.00 O ATOM 999 CB LYS A 62 2.252 9.389 2.773 1.00 0.00 C ATOM 1000 CG LYS A 62 1.472 10.567 2.211 1.00 0.00 C ATOM 1001 CD LYS A 62 0.469 11.102 3.220 1.00 0.00 C ATOM 1002 CE LYS A 62 0.389 12.620 3.175 1.00 0.00 C ATOM 1003 NZ LYS A 62 0.296 13.130 1.779 1.00 0.00 N ATOM 0 H LYS A 62 1.692 7.628 4.413 1.00 0.00 H new ATOM 0 HA LYS A 62 0.784 8.192 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.258 9.454 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.289 9.460 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.163 11.361 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.950 10.260 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.515 10.679 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.753 10.781 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.479 12.955 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.269 13.044 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.197 14.046 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.253 13.251 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.232 12.450 1.196 1.00 0.00 H new ATOM 1017 N GLN A 63 3.523 6.477 2.134 1.00 0.00 N ATOM 1018 CA GLN A 63 4.526 5.697 1.430 1.00 0.00 C ATOM 1019 C GLN A 63 3.881 4.533 0.689 1.00 0.00 C ATOM 1020 O GLN A 63 4.405 4.054 -0.317 1.00 0.00 O ATOM 1021 CB GLN A 63 5.584 5.184 2.405 1.00 0.00 C ATOM 1022 CG GLN A 63 6.976 5.734 2.136 1.00 0.00 C ATOM 1023 CD GLN A 63 7.360 6.843 3.096 1.00 0.00 C ATOM 1024 OE1 GLN A 63 6.509 7.406 3.784 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.647 7.163 3.145 1.00 0.00 N ATOM 0 H GLN A 63 3.520 6.345 3.145 1.00 0.00 H new ATOM 0 HA GLN A 63 5.010 6.344 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.288 5.447 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.616 4.096 2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.703 4.925 2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.023 6.111 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.318 6.669 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.965 7.903 3.771 1.00 0.00 H new ATOM 1034 N VAL A 64 2.737 4.084 1.194 1.00 0.00 N ATOM 1035 CA VAL A 64 2.016 2.979 0.584 1.00 0.00 C ATOM 1036 C VAL A 64 1.237 3.433 -0.644 1.00 0.00 C ATOM 1037 O VAL A 64 0.875 2.619 -1.492 1.00 0.00 O ATOM 1038 CB VAL A 64 1.043 2.315 1.576 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.462 1.041 0.981 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.736 2.025 2.898 1.00 0.00 C ATOM 0 H VAL A 64 2.291 4.471 2.026 1.00 0.00 H new ATOM 0 HA VAL A 64 2.769 2.250 0.284 1.00 0.00 H new ATOM 0 HB VAL A 64 0.224 3.008 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.223 0.585 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.076 1.280 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.269 0.343 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.030 1.556 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.577 1.353 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.098 2.957 3.331 1.00 0.00 H new ATOM 1050 N SER A 65 0.989 4.734 -0.743 1.00 0.00 N ATOM 1051 CA SER A 65 0.265 5.281 -1.877 1.00 0.00 C ATOM 1052 C SER A 65 1.227 5.564 -3.015 1.00 0.00 C ATOM 1053 O SER A 65 0.881 5.446 -4.191 1.00 0.00 O ATOM 1054 CB SER A 65 -0.478 6.558 -1.479 1.00 0.00 C ATOM 1055 OG SER A 65 -1.583 6.793 -2.334 1.00 0.00 O ATOM 0 H SER A 65 1.279 5.426 -0.052 1.00 0.00 H new ATOM 0 HA SER A 65 -0.471 4.548 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.823 6.475 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.204 7.407 -1.520 1.00 0.00 H new ATOM 0 HG SER A 65 -2.042 7.614 -2.058 1.00 0.00 H new ATOM 1061 N SER A 66 2.444 5.921 -2.645 1.00 0.00 N ATOM 1062 CA SER A 66 3.489 6.208 -3.606 1.00 0.00 C ATOM 1063 C SER A 66 3.969 4.924 -4.263 1.00 0.00 C ATOM 1064 O SER A 66 4.354 4.911 -5.432 1.00 0.00 O ATOM 1065 CB SER A 66 4.649 6.905 -2.911 1.00 0.00 C ATOM 1066 OG SER A 66 5.096 8.027 -3.653 1.00 0.00 O ATOM 0 H SER A 66 2.733 6.019 -1.672 1.00 0.00 H new ATOM 0 HA SER A 66 3.088 6.864 -4.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.340 7.224 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.472 6.202 -2.779 1.00 0.00 H new ATOM 0 HG SER A 66 5.840 8.456 -3.181 1.00 0.00 H new ATOM 1072 N HIS A 67 3.940 3.846 -3.493 1.00 0.00 N ATOM 1073 CA HIS A 67 4.369 2.544 -3.980 1.00 0.00 C ATOM 1074 C HIS A 67 3.408 2.007 -5.031 1.00 0.00 C ATOM 1075 O HIS A 67 3.817 1.333 -5.976 1.00 0.00 O ATOM 1076 CB HIS A 67 4.488 1.553 -2.821 1.00 0.00 C ATOM 1077 CG HIS A 67 5.297 0.338 -3.152 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.009 -0.980 -3.027 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.569 0.401 -3.680 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.101 -1.679 -3.478 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.028 -0.824 -3.867 1.00 0.00 N flip ATOM 0 H HIS A 67 3.622 3.848 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 67 5.348 2.666 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.939 2.058 -1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.489 1.242 -2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.107 1.310 -3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.188 -2.755 -3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.943 -1.067 -4.247 1.00 0.00 H new ATOM 1090 N ILE A 68 2.130 2.314 -4.862 1.00 0.00 N ATOM 1091 CA ILE A 68 1.113 1.865 -5.801 1.00 0.00 C ATOM 1092 C ILE A 68 1.218 2.622 -7.117 1.00 0.00 C ATOM 1093 O ILE A 68 0.833 2.116 -8.171 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.309 2.029 -5.230 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.397 1.417 -3.832 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.331 1.386 -6.156 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.436 2.074 -2.950 1.00 0.00 C ATOM 0 H ILE A 68 1.773 2.871 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 68 1.293 0.804 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.531 3.094 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.628 0.356 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.577 1.492 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.330 1.511 -5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.285 1.863 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.111 0.323 -6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.444 1.589 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.195 3.130 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.419 1.976 -3.411 1.00 0.00 H new ATOM 1109 N GLN A 69 1.750 3.835 -7.049 1.00 0.00 N ATOM 1110 CA GLN A 69 1.917 4.662 -8.233 1.00 0.00 C ATOM 1111 C GLN A 69 3.061 4.142 -9.093 1.00 0.00 C ATOM 1112 O GLN A 69 3.069 4.320 -10.311 1.00 0.00 O ATOM 1113 CB GLN A 69 2.174 6.118 -7.839 1.00 0.00 C ATOM 1114 CG GLN A 69 1.033 6.745 -7.055 1.00 0.00 C ATOM 1115 CD GLN A 69 0.785 8.190 -7.443 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.086 8.605 -8.562 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.232 8.965 -6.516 1.00 0.00 N ATOM 0 H GLN A 69 2.073 4.267 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 69 0.996 4.615 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.085 6.169 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.350 6.704 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.123 6.167 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.257 6.692 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.001 8.579 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.041 9.946 -6.719 1.00 0.00 H new ATOM 1126 N VAL A 70 4.022 3.492 -8.449 1.00 0.00 N ATOM 1127 CA VAL A 70 5.169 2.937 -9.151 1.00 0.00 C ATOM 1128 C VAL A 70 4.764 1.733 -9.988 1.00 0.00 C ATOM 1129 O VAL A 70 5.379 1.439 -11.013 1.00 0.00 O ATOM 1130 CB VAL A 70 6.289 2.522 -8.187 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.617 2.424 -8.922 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.390 3.490 -7.017 1.00 0.00 C ATOM 0 H VAL A 70 4.029 3.337 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 70 5.546 3.726 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 70 6.044 1.538 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.399 2.129 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.540 1.680 -9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.865 3.393 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.191 3.172 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.605 4.491 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.446 3.501 -6.471 1.00 0.00 H new ATOM 1142 N LEU A 71 3.721 1.043 -9.545 1.00 0.00 N ATOM 1143 CA LEU A 71 3.225 -0.128 -10.252 1.00 0.00 C ATOM 1144 C LEU A 71 2.568 0.273 -11.566 1.00 0.00 C ATOM 1145 O LEU A 71 2.576 -0.486 -12.535 1.00 0.00 O ATOM 1146 CB LEU A 71 2.238 -0.900 -9.379 1.00 0.00 C ATOM 1147 CG LEU A 71 2.660 -2.328 -9.031 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.730 -2.321 -7.951 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.457 -3.146 -8.587 1.00 0.00 C ATOM 0 H LEU A 71 3.202 1.275 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 71 4.073 -0.775 -10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.086 -0.346 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.276 -0.936 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 71 3.079 -2.790 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.017 -3.346 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.602 -1.772 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.339 -1.840 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.776 -4.159 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.009 -2.685 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.723 -3.180 -9.392 1.00 0.00 H new ATOM 1161 N ALA A 72 2.004 1.472 -11.590 1.00 0.00 N ATOM 1162 CA ALA A 72 1.345 1.982 -12.783 1.00 0.00 C ATOM 1163 C ALA A 72 2.360 2.293 -13.873 1.00 0.00 C ATOM 1164 O ALA A 72 2.052 2.227 -15.063 1.00 0.00 O ATOM 1165 CB ALA A 72 0.524 3.219 -12.449 1.00 0.00 C ATOM 0 H ALA A 72 1.990 2.111 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 72 0.673 1.210 -13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.038 3.588 -13.352 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.233 2.964 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.179 3.993 -12.048 1.00 0.00 H new ATOM 1171 N ARG A 73 3.573 2.628 -13.456 1.00 0.00 N ATOM 1172 CA ARG A 73 4.642 2.946 -14.391 1.00 0.00 C ATOM 1173 C ARG A 73 5.110 1.694 -15.121 1.00 0.00 C ATOM 1174 O ARG A 73 5.585 1.762 -16.255 1.00 0.00 O ATOM 1175 CB ARG A 73 5.817 3.597 -13.659 1.00 0.00 C ATOM 1176 CG ARG A 73 5.729 5.113 -13.596 1.00 0.00 C ATOM 1177 CD ARG A 73 6.553 5.765 -14.695 1.00 0.00 C ATOM 1178 NE ARG A 73 5.944 7.004 -15.173 1.00 0.00 N ATOM 1179 CZ ARG A 73 6.473 7.771 -16.124 1.00 0.00 C ATOM 1180 NH1 ARG A 73 7.619 7.430 -16.700 1.00 0.00 N ATOM 1181 NH2 ARG A 73 5.854 8.881 -16.500 1.00 0.00 N ATOM 0 H ARG A 73 3.841 2.687 -12.474 1.00 0.00 H new ATOM 0 HA ARG A 73 4.252 3.650 -15.126 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.866 3.202 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.745 3.315 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.688 5.422 -13.688 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.079 5.459 -12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.555 5.974 -14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.662 5.070 -15.527 1.00 0.00 H new ATOM 0 HE ARG A 73 5.062 7.299 -14.754 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.099 6.576 -16.415 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.020 8.021 -17.428 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.973 9.147 -16.061 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.259 9.469 -17.229 1.00 0.00 H new ATOM 1195 N ARG A 74 4.970 0.552 -14.462 1.00 0.00 N ATOM 1196 CA ARG A 74 5.373 -0.721 -15.042 1.00 0.00 C ATOM 1197 C ARG A 74 4.437 -1.121 -16.174 1.00 0.00 C ATOM 1198 O ARG A 74 4.837 -1.806 -17.115 1.00 0.00 O ATOM 1199 CB ARG A 74 5.397 -1.812 -13.970 1.00 0.00 C ATOM 1200 CG ARG A 74 6.493 -2.844 -14.177 1.00 0.00 C ATOM 1201 CD ARG A 74 6.861 -3.534 -12.873 1.00 0.00 C ATOM 1202 NE ARG A 74 8.055 -4.365 -13.012 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.296 -3.883 -13.018 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.511 -2.579 -12.894 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.326 -4.708 -13.149 1.00 0.00 N ATOM 0 H ARG A 74 4.579 0.481 -13.523 1.00 0.00 H new ATOM 0 HA ARG A 74 6.377 -0.605 -15.450 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.527 -1.347 -12.993 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.431 -2.317 -13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.162 -3.587 -14.903 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.375 -2.360 -14.596 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.029 -2.784 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.026 -4.151 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 74 7.930 -5.373 -13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.723 -1.939 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.464 -2.217 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.167 -5.711 -13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.277 -4.340 -13.154 1.00 0.00 H new ATOM 1219 N LYS A 75 3.188 -0.685 -16.074 1.00 0.00 N ATOM 1220 CA LYS A 75 2.187 -0.991 -17.086 1.00 0.00 C ATOM 1221 C LYS A 75 2.453 -0.214 -18.371 1.00 0.00 C ATOM 1222 O LYS A 75 2.069 -0.642 -19.459 1.00 0.00 O ATOM 1223 CB LYS A 75 0.786 -0.673 -16.562 1.00 0.00 C ATOM 1224 CG LYS A 75 0.144 -1.823 -15.804 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.368 -1.817 -15.958 1.00 0.00 C ATOM 1226 CE LYS A 75 -1.922 -3.228 -16.075 1.00 0.00 C ATOM 1227 NZ LYS A 75 -3.234 -3.369 -15.384 1.00 0.00 N ATOM 0 H LYS A 75 2.844 -0.117 -15.300 1.00 0.00 H new ATOM 0 HA LYS A 75 2.249 -2.056 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.841 0.197 -15.907 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.146 -0.400 -17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.544 -2.769 -16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.403 -1.754 -14.748 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.820 -1.317 -15.101 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.642 -1.243 -16.843 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.036 -3.487 -17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.209 -3.934 -15.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.334 -4.339 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.283 -2.698 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.003 -3.168 -16.055 1.00 0.00 H new ATOM 1241 N SER A 76 3.111 0.929 -18.234 1.00 0.00 N ATOM 1242 CA SER A 76 3.430 1.772 -19.379 1.00 0.00 C ATOM 1243 C SER A 76 4.457 1.103 -20.290 1.00 0.00 C ATOM 1244 O SER A 76 4.631 1.504 -21.441 1.00 0.00 O ATOM 1245 CB SER A 76 3.957 3.129 -18.909 1.00 0.00 C ATOM 1246 OG SER A 76 2.933 3.885 -18.286 1.00 0.00 O ATOM 0 H SER A 76 3.435 1.295 -17.339 1.00 0.00 H new ATOM 0 HA SER A 76 2.513 1.921 -19.949 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.780 2.981 -18.210 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.356 3.682 -19.759 1.00 0.00 H new ATOM 0 HG SER A 76 3.295 4.747 -17.993 1.00 0.00 H new ATOM 1252 N ARG A 77 5.137 0.084 -19.772 1.00 0.00 N ATOM 1253 CA ARG A 77 6.141 -0.632 -20.540 1.00 0.00 C ATOM 1254 C ARG A 77 5.535 -1.834 -21.260 1.00 0.00 C ATOM 1255 O ARG A 77 6.232 -2.803 -21.562 1.00 0.00 O ATOM 1256 CB ARG A 77 7.279 -1.092 -19.626 1.00 0.00 C ATOM 1257 CG ARG A 77 8.349 -0.034 -19.407 1.00 0.00 C ATOM 1258 CD ARG A 77 9.483 -0.173 -20.410 1.00 0.00 C ATOM 1259 NE ARG A 77 10.556 -1.027 -19.908 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.440 -0.644 -18.989 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.381 0.575 -18.469 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.385 -1.484 -18.589 1.00 0.00 N ATOM 0 H ARG A 77 5.008 -0.262 -18.821 1.00 0.00 H new ATOM 0 HA ARG A 77 6.537 0.051 -21.291 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.864 -1.382 -18.661 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.741 -1.981 -20.055 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.905 0.958 -19.493 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.745 -0.119 -18.395 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.095 -0.587 -21.341 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.884 0.813 -20.643 1.00 0.00 H new ATOM 0 HE ARG A 77 10.633 -1.972 -20.283 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.656 1.225 -18.773 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.061 0.863 -17.765 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.434 -2.423 -18.985 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.063 -1.192 -17.885 1.00 0.00 H new ATOM 1276 N ASP A 78 4.235 -1.768 -21.535 1.00 0.00 N ATOM 1277 CA ASP A 78 3.541 -2.845 -22.216 1.00 0.00 C ATOM 1278 C ASP A 78 4.112 -3.075 -23.613 1.00 0.00 C ATOM 1279 O ASP A 78 3.943 -4.147 -24.194 1.00 0.00 O ATOM 1280 CB ASP A 78 2.052 -2.521 -22.305 1.00 0.00 C ATOM 1281 CG ASP A 78 1.788 -1.100 -22.766 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.540 -0.609 -23.634 1.00 0.00 O ATOM 1283 OD2 ASP A 78 0.830 -0.480 -22.259 1.00 0.00 O ATOM 0 H ASP A 78 3.643 -0.974 -21.293 1.00 0.00 H new ATOM 0 HA ASP A 78 3.681 -3.761 -21.642 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.574 -3.217 -22.994 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.592 -2.673 -21.328 1.00 0.00 H new