USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 100 GLN : amide:sc= -7.8! C(o=-10!,f=-8.4!) USER MOD Set 1.2: A 102 ASN : amide:sc= -2.37! C(o=-10!,f=-8.4!) USER MOD Set 2.1: A 50 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0.00531 USER MOD Set 3.2: A 30 THR OG1 : rot -9:sc= 0.865 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 78:sc= -2.33! USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.0708 (180deg=0.0456) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.213! C(o=-0.21!,f=-8.1!) USER MOD Single : A 28 HIS : no HE2:sc= 0.0294! C(o=0.029!,f=-7.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 37 TYR OH : rot 69:sc= -4.8! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.106 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 0.754 (180deg=0.477) USER MOD Single : A 53 SER OG : rot 34:sc= 0.851 USER MOD Single : A 55 ASN : amide:sc= -6.94! C(o=-6.9!,f=-15!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 67 ASN : amide:sc= -2.3! C(o=-2.3!,f=-8.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -39:sc= 0.092 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 95:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -129:sc= -4.86! (180deg=-9.19!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-12!) USER MOD Single : A 104 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 -0.368 15.473 10.318 1.00 50.00 N ATOM 171 CA MET A 12 -0.864 14.432 9.381 1.00 50.00 C ATOM 172 C MET A 12 -1.868 15.037 8.397 1.00 50.00 C ATOM 173 O MET A 12 -2.994 15.328 8.746 1.00 50.00 O ATOM 174 CB MET A 12 -1.549 13.408 10.282 1.00 50.00 C ATOM 175 CG MET A 12 -0.655 13.101 11.484 1.00 50.00 C ATOM 176 SD MET A 12 -1.416 11.800 12.485 1.00 50.00 S ATOM 177 CE MET A 12 0.005 11.480 13.559 1.00 50.00 C ATOM 0 HA MET A 12 -0.066 13.992 8.783 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.511 13.793 10.621 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.750 12.494 9.723 1.00 50.00 H new ATOM 0 HG2 MET A 12 0.331 12.784 11.146 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.513 14.000 12.084 1.00 50.00 H new ATOM 0 HE1 MET A 12 -0.247 10.694 14.271 1.00 50.00 H new ATOM 0 HE2 MET A 12 0.854 11.163 12.954 1.00 50.00 H new ATOM 0 HE3 MET A 12 0.264 12.390 14.100 1.00 50.00 H new ATOM 187 N CYS A 13 -1.474 15.221 7.167 1.00 99.99 N ATOM 188 CA CYS A 13 -2.416 15.798 6.167 1.00 99.99 C ATOM 189 C CYS A 13 -2.113 15.244 4.768 1.00 99.99 C ATOM 190 O CYS A 13 -1.125 15.579 4.149 1.00 99.99 O ATOM 191 CB CYS A 13 -2.190 17.316 6.241 1.00 99.99 C ATOM 192 SG CYS A 13 -0.692 17.790 5.332 1.00 99.99 S ATOM 0 H CYS A 13 -0.544 14.998 6.812 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.456 15.543 6.372 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.053 17.837 5.826 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.102 17.625 7.283 1.00 99.99 H new ATOM 197 N THR A 14 -2.963 14.394 4.263 1.00 99.99 N ATOM 198 CA THR A 14 -2.721 13.821 2.909 1.00 99.99 C ATOM 199 C THR A 14 -4.017 13.258 2.325 1.00 99.99 C ATOM 200 O THR A 14 -4.127 12.079 2.053 1.00 99.99 O ATOM 201 CB THR A 14 -1.705 12.700 3.129 1.00 99.99 C ATOM 202 OG1 THR A 14 -1.079 12.870 4.392 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.651 12.742 2.022 1.00 99.99 C ATOM 0 H THR A 14 -3.812 14.072 4.727 1.00 99.99 H new ATOM 0 HA THR A 14 -2.359 14.572 2.207 1.00 99.99 H new ATOM 0 HB THR A 14 -2.214 11.737 3.105 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.682 12.562 5.100 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.073 11.943 2.179 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.134 12.609 1.054 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.140 13.704 2.043 1.00 99.99 H new ATOM 211 N GLU A 15 -5.001 14.091 2.129 1.00 99.99 N ATOM 212 CA GLU A 15 -6.286 13.599 1.559 1.00 99.99 C ATOM 213 C GLU A 15 -6.251 13.681 0.030 1.00 99.99 C ATOM 214 O GLU A 15 -7.269 13.835 -0.615 1.00 99.99 O ATOM 215 CB GLU A 15 -7.354 14.537 2.124 1.00 99.99 C ATOM 216 CG GLU A 15 -7.144 15.947 1.569 1.00 99.99 C ATOM 217 CD GLU A 15 -8.354 16.347 0.724 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.140 15.473 0.397 1.00 99.99 O ATOM 219 OE2 GLU A 15 -8.476 17.522 0.417 1.00 99.99 O ATOM 0 H GLU A 15 -4.971 15.089 2.338 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.482 12.558 1.816 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.347 14.175 1.859 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.300 14.552 3.213 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.008 16.655 2.387 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -6.238 15.980 0.964 1.00 99.99 H new ATOM 226 N LYS A 16 -5.087 13.584 -0.554 1.00 50.00 N ATOM 227 CA LYS A 16 -4.994 13.662 -2.041 1.00 50.00 C ATOM 228 C LYS A 16 -4.101 12.543 -2.591 1.00 50.00 C ATOM 229 O LYS A 16 -3.038 12.794 -3.124 1.00 50.00 O ATOM 230 CB LYS A 16 -4.374 15.031 -2.328 1.00 50.00 C ATOM 231 CG LYS A 16 -3.160 15.246 -1.421 1.00 50.00 C ATOM 232 CD LYS A 16 -3.622 15.791 -0.068 1.00 50.00 C ATOM 233 CE LYS A 16 -2.849 17.070 0.258 1.00 50.00 C ATOM 234 NZ LYS A 16 -3.497 17.608 1.486 1.00 50.00 N ATOM 0 H LYS A 16 -4.199 13.455 -0.068 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.968 13.543 -2.515 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -4.074 15.094 -3.374 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -5.110 15.817 -2.160 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -2.625 14.306 -1.283 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -2.464 15.943 -1.887 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.692 15.997 -0.093 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -3.459 15.046 0.711 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -1.793 16.861 0.428 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -2.904 17.785 -0.563 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -2.906 18.363 1.888 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -4.433 17.992 1.245 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -3.605 16.845 2.184 1.00 50.00 H new ATOM 248 N PHE A 17 -4.526 11.313 -2.477 1.00 50.00 N ATOM 249 CA PHE A 17 -3.700 10.188 -3.007 1.00 50.00 C ATOM 250 C PHE A 17 -4.278 9.694 -4.336 1.00 50.00 C ATOM 251 O PHE A 17 -5.477 9.638 -4.519 1.00 50.00 O ATOM 252 CB PHE A 17 -3.784 9.088 -1.950 1.00 50.00 C ATOM 253 CG PHE A 17 -2.391 8.736 -1.482 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.443 9.746 -1.288 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.048 7.400 -1.246 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.150 9.421 -0.859 1.00 50.00 C ATOM 257 CE2 PHE A 17 -0.757 7.073 -0.816 1.00 50.00 C ATOM 258 CZ PHE A 17 0.193 8.084 -0.622 1.00 50.00 C ATOM 0 H PHE A 17 -5.406 11.039 -2.041 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.670 10.490 -3.194 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.389 9.423 -1.108 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.274 8.207 -2.364 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.708 10.777 -1.469 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.780 6.620 -1.396 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.582 10.201 -0.711 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.493 6.042 -0.634 1.00 50.00 H new ATOM 0 HZ PHE A 17 1.189 7.833 -0.290 1.00 50.00 H new ATOM 268 N SER A 18 -3.434 9.339 -5.265 1.00 50.00 N ATOM 269 CA SER A 18 -3.940 8.851 -6.583 1.00 50.00 C ATOM 270 C SER A 18 -3.303 7.506 -6.938 1.00 50.00 C ATOM 271 O SER A 18 -2.200 7.448 -7.442 1.00 50.00 O ATOM 272 CB SER A 18 -3.519 9.922 -7.589 1.00 50.00 C ATOM 273 OG SER A 18 -4.679 10.542 -8.129 1.00 50.00 O ATOM 0 H SER A 18 -2.419 9.365 -5.171 1.00 50.00 H new ATOM 0 HA SER A 18 -5.019 8.696 -6.575 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.888 10.666 -7.103 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.927 9.475 -8.387 1.00 50.00 H new ATOM 0 HG SER A 18 -4.412 11.231 -8.773 1.00 50.00 H new ATOM 279 N PHE A 19 -3.986 6.422 -6.685 1.00 50.00 N ATOM 280 CA PHE A 19 -3.411 5.092 -7.016 1.00 50.00 C ATOM 281 C PHE A 19 -3.066 5.020 -8.506 1.00 50.00 C ATOM 282 O PHE A 19 -3.925 5.108 -9.359 1.00 50.00 O ATOM 283 CB PHE A 19 -4.505 4.084 -6.664 1.00 50.00 C ATOM 284 CG PHE A 19 -5.824 4.517 -7.263 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.130 4.193 -8.590 1.00 50.00 C ATOM 286 CD2 PHE A 19 -6.745 5.236 -6.490 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.352 4.589 -9.145 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.968 5.632 -7.045 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.271 5.308 -8.372 1.00 50.00 C ATOM 0 H PHE A 19 -4.915 6.403 -6.264 1.00 50.00 H new ATOM 0 HA PHE A 19 -2.489 4.894 -6.469 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -4.234 3.097 -7.038 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.599 4.001 -5.581 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.422 3.637 -9.186 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.512 5.485 -5.465 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -7.586 4.340 -10.170 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.677 6.187 -6.449 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.215 5.613 -8.800 1.00 50.00 H new ATOM 299 N ALA A 20 -1.812 4.860 -8.822 1.00 50.00 N ATOM 300 CA ALA A 20 -1.409 4.781 -10.254 1.00 50.00 C ATOM 301 C ALA A 20 -1.044 3.340 -10.616 1.00 50.00 C ATOM 302 O ALA A 20 -1.004 2.974 -11.774 1.00 50.00 O ATOM 303 CB ALA A 20 -0.186 5.691 -10.372 1.00 50.00 C ATOM 0 H ALA A 20 -1.048 4.780 -8.151 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.209 5.087 -10.928 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.172 5.687 -11.401 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.459 6.707 -10.087 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.602 5.329 -9.712 1.00 50.00 H new ATOM 309 N LYS A 21 -0.780 2.517 -9.637 1.00 50.00 N ATOM 310 CA LYS A 21 -0.420 1.102 -9.936 1.00 50.00 C ATOM 311 C LYS A 21 -1.119 0.158 -8.955 1.00 50.00 C ATOM 312 O LYS A 21 -1.253 0.453 -7.783 1.00 50.00 O ATOM 313 CB LYS A 21 1.097 1.034 -9.761 1.00 50.00 C ATOM 314 CG LYS A 21 1.747 2.225 -10.469 1.00 50.00 C ATOM 315 CD LYS A 21 3.190 1.875 -10.838 1.00 50.00 C ATOM 316 CE LYS A 21 3.919 1.340 -9.603 1.00 50.00 C ATOM 317 NZ LYS A 21 5.183 0.751 -10.128 1.00 50.00 N ATOM 0 H LYS A 21 -0.798 2.762 -8.647 1.00 50.00 H new ATOM 0 HA LYS A 21 -0.728 0.800 -10.937 1.00 50.00 H new ATOM 0 HB2 LYS A 21 1.352 1.044 -8.701 1.00 50.00 H new ATOM 0 HB3 LYS A 21 1.480 0.100 -10.172 1.00 50.00 H new ATOM 0 HG2 LYS A 21 1.183 2.480 -11.366 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.729 3.101 -9.821 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.202 1.128 -11.632 1.00 50.00 H new ATOM 0 HD3 LYS A 21 3.702 2.757 -11.222 1.00 50.00 H new ATOM 0 HE2 LYS A 21 4.122 2.137 -8.888 1.00 50.00 H new ATOM 0 HE3 LYS A 21 3.320 0.591 -9.084 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 5.739 0.363 -9.339 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 4.958 -0.009 -10.801 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 5.735 1.488 -10.611 1.00 50.00 H new ATOM 331 N ASN A 22 -1.565 -0.974 -9.424 1.00 50.00 N ATOM 332 CA ASN A 22 -2.254 -1.936 -8.515 1.00 50.00 C ATOM 333 C ASN A 22 -1.265 -2.483 -7.484 1.00 50.00 C ATOM 334 O ASN A 22 -0.068 -2.347 -7.640 1.00 50.00 O ATOM 335 CB ASN A 22 -2.753 -3.056 -9.429 1.00 50.00 C ATOM 336 CG ASN A 22 -1.580 -3.619 -10.233 1.00 50.00 C ATOM 337 OD1 ASN A 22 -0.732 -2.880 -10.693 1.00 50.00 O ATOM 338 ND2 ASN A 22 -1.494 -4.907 -10.425 1.00 50.00 N ATOM 0 H ASN A 22 -1.483 -1.275 -10.395 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.069 -1.472 -7.960 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -3.214 -3.846 -8.836 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -3.520 -2.675 -10.103 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -0.716 -5.292 -10.960 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -2.205 -5.529 -10.040 1.00 50.00 H new ATOM 345 N PRO A 23 -1.803 -3.084 -6.459 1.00 50.00 N ATOM 346 CA PRO A 23 -0.958 -3.657 -5.384 1.00 50.00 C ATOM 347 C PRO A 23 -0.223 -4.902 -5.886 1.00 50.00 C ATOM 348 O PRO A 23 -0.790 -5.741 -6.558 1.00 50.00 O ATOM 349 CB PRO A 23 -1.963 -4.016 -4.291 1.00 50.00 C ATOM 350 CG PRO A 23 -3.261 -4.200 -5.008 1.00 50.00 C ATOM 351 CD PRO A 23 -3.234 -3.287 -6.206 1.00 50.00 C ATOM 0 HA PRO A 23 -0.185 -2.972 -5.035 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -1.669 -4.925 -3.767 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.033 -3.226 -3.544 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.388 -5.238 -5.316 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.100 -3.957 -4.356 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -3.732 -3.738 -7.064 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -3.742 -2.344 -6.002 1.00 50.00 H new ATOM 359 N ALA A 24 1.036 -5.026 -5.567 1.00 50.00 N ATOM 360 CA ALA A 24 1.809 -6.216 -6.027 1.00 50.00 C ATOM 361 C ALA A 24 2.600 -6.815 -4.861 1.00 50.00 C ATOM 362 O ALA A 24 3.352 -6.134 -4.194 1.00 50.00 O ATOM 363 CB ALA A 24 2.758 -5.677 -7.098 1.00 50.00 C ATOM 0 H ALA A 24 1.563 -4.355 -5.008 1.00 50.00 H new ATOM 0 HA ALA A 24 1.164 -7.006 -6.412 1.00 50.00 H new ATOM 0 HB1 ALA A 24 3.366 -6.493 -7.490 1.00 50.00 H new ATOM 0 HB2 ALA A 24 2.179 -5.235 -7.908 1.00 50.00 H new ATOM 0 HB3 ALA A 24 3.407 -4.919 -6.660 1.00 50.00 H new ATOM 369 N ASP A 25 2.435 -8.085 -4.611 1.00 50.00 N ATOM 370 CA ASP A 25 3.178 -8.726 -3.488 1.00 50.00 C ATOM 371 C ASP A 25 4.666 -8.828 -3.830 1.00 50.00 C ATOM 372 O ASP A 25 5.063 -9.578 -4.702 1.00 50.00 O ATOM 373 CB ASP A 25 2.563 -10.119 -3.349 1.00 50.00 C ATOM 374 CG ASP A 25 2.988 -10.735 -2.014 1.00 50.00 C ATOM 375 OD1 ASP A 25 4.126 -10.529 -1.625 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.168 -11.401 -1.404 1.00 50.00 O ATOM 0 H ASP A 25 1.819 -8.706 -5.135 1.00 50.00 H new ATOM 0 HA ASP A 25 3.103 -8.154 -2.563 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.476 -10.055 -3.402 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.886 -10.754 -4.174 1.00 50.00 H new ATOM 381 N THR A 26 5.494 -8.082 -3.153 1.00 50.00 N ATOM 382 CA THR A 26 6.956 -8.139 -3.442 1.00 50.00 C ATOM 383 C THR A 26 7.619 -9.236 -2.605 1.00 50.00 C ATOM 384 O THR A 26 8.808 -9.206 -2.354 1.00 50.00 O ATOM 385 CB THR A 26 7.493 -6.763 -3.045 1.00 50.00 C ATOM 386 OG1 THR A 26 6.538 -6.101 -2.227 1.00 50.00 O ATOM 387 CG2 THR A 26 7.753 -5.933 -4.302 1.00 50.00 C ATOM 0 H THR A 26 5.223 -7.435 -2.412 1.00 50.00 H new ATOM 0 HA THR A 26 7.161 -8.370 -4.487 1.00 50.00 H new ATOM 0 HB THR A 26 8.425 -6.882 -2.492 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.882 -5.220 -1.971 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.136 -4.953 -4.018 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.486 -6.441 -4.928 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.823 -5.812 -4.857 1.00 50.00 H new ATOM 395 N GLY A 27 6.860 -10.203 -2.171 1.00 50.00 N ATOM 396 CA GLY A 27 7.447 -11.300 -1.350 1.00 50.00 C ATOM 397 C GLY A 27 6.327 -12.189 -0.807 1.00 50.00 C ATOM 398 O GLY A 27 5.597 -12.810 -1.554 1.00 50.00 O ATOM 0 H GLY A 27 5.859 -10.282 -2.349 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.135 -11.892 -1.954 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.025 -10.882 -0.526 1.00 50.00 H new ATOM 402 N HIS A 28 6.183 -12.253 0.488 1.00 50.00 N ATOM 403 CA HIS A 28 5.107 -13.104 1.076 1.00 50.00 C ATOM 404 C HIS A 28 4.291 -12.302 2.093 1.00 50.00 C ATOM 405 O HIS A 28 4.595 -12.280 3.269 1.00 50.00 O ATOM 406 CB HIS A 28 5.841 -14.257 1.766 1.00 50.00 C ATOM 407 CG HIS A 28 7.054 -13.729 2.482 1.00 50.00 C ATOM 408 ND1 HIS A 28 7.006 -12.600 3.285 1.00 50.00 N ATOM 409 CD2 HIS A 28 8.354 -14.165 2.527 1.00 50.00 C ATOM 410 CE1 HIS A 28 8.243 -12.397 3.775 1.00 50.00 C ATOM 411 NE2 HIS A 28 9.104 -13.323 3.343 1.00 50.00 N ATOM 0 H HIS A 28 6.762 -11.755 1.164 1.00 50.00 H new ATOM 0 HA HIS A 28 4.408 -13.461 0.320 1.00 50.00 H new ATOM 0 HB2 HIS A 28 5.176 -14.753 2.473 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.138 -15.004 1.030 1.00 50.00 H new ATOM 0 HD1 HIS A 28 6.183 -12.027 3.471 1.00 50.00 H new ATOM 0 HD2 HIS A 28 8.738 -15.031 2.008 1.00 50.00 H new ATOM 0 HE1 HIS A 28 8.507 -11.585 4.436 1.00 50.00 H new ATOM 419 N GLY A 29 3.254 -11.645 1.649 1.00 50.00 N ATOM 420 CA GLY A 29 2.418 -10.848 2.591 1.00 50.00 C ATOM 421 C GLY A 29 2.779 -9.366 2.470 1.00 50.00 C ATOM 422 O GLY A 29 2.189 -8.520 3.112 1.00 50.00 O ATOM 0 H GLY A 29 2.950 -11.626 0.676 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.361 -10.995 2.368 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.579 -11.189 3.614 1.00 50.00 H new ATOM 426 N THR A 30 3.744 -9.043 1.653 1.00 50.00 N ATOM 427 CA THR A 30 4.136 -7.614 1.497 1.00 50.00 C ATOM 428 C THR A 30 3.558 -7.045 0.199 1.00 50.00 C ATOM 429 O THR A 30 4.003 -7.367 -0.884 1.00 50.00 O ATOM 430 CB THR A 30 5.664 -7.621 1.442 1.00 50.00 C ATOM 431 OG1 THR A 30 6.087 -8.095 0.170 1.00 50.00 O ATOM 432 CG2 THR A 30 6.214 -8.535 2.538 1.00 50.00 C ATOM 0 H THR A 30 4.276 -9.705 1.088 1.00 50.00 H new ATOM 0 HA THR A 30 3.761 -6.995 2.312 1.00 50.00 H new ATOM 0 HB THR A 30 6.038 -6.609 1.597 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.315 -8.444 -0.322 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.303 -8.538 2.497 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.889 -8.171 3.513 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.842 -9.548 2.387 1.00 50.00 H new ATOM 440 N VAL A 31 2.570 -6.199 0.300 1.00 50.00 N ATOM 441 CA VAL A 31 1.967 -5.610 -0.922 1.00 50.00 C ATOM 442 C VAL A 31 2.468 -4.178 -1.117 1.00 50.00 C ATOM 443 O VAL A 31 2.534 -3.400 -0.186 1.00 50.00 O ATOM 444 CB VAL A 31 0.460 -5.622 -0.673 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.271 -5.271 -1.969 1.00 50.00 C ATOM 446 CG2 VAL A 31 0.033 -7.017 -0.208 1.00 50.00 C ATOM 0 H VAL A 31 2.155 -5.891 1.180 1.00 50.00 H new ATOM 0 HA VAL A 31 2.232 -6.167 -1.821 1.00 50.00 H new ATOM 0 HB VAL A 31 0.211 -4.890 0.095 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.347 -5.279 -1.794 1.00 50.00 H new ATOM 0 HG12 VAL A 31 0.035 -4.279 -2.302 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.023 -6.004 -2.737 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.042 -7.028 -0.030 1.00 50.00 H new ATOM 0 HG22 VAL A 31 0.281 -7.749 -0.977 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.556 -7.269 0.714 1.00 50.00 H new ATOM 456 N VAL A 32 2.824 -3.823 -2.320 1.00 50.00 N ATOM 457 CA VAL A 32 3.322 -2.445 -2.573 1.00 50.00 C ATOM 458 C VAL A 32 2.438 -1.745 -3.609 1.00 50.00 C ATOM 459 O VAL A 32 2.121 -2.297 -4.644 1.00 50.00 O ATOM 460 CB VAL A 32 4.741 -2.625 -3.114 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.742 -2.525 -1.962 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.877 -3.994 -3.788 1.00 50.00 C ATOM 0 H VAL A 32 2.791 -4.430 -3.139 1.00 50.00 H new ATOM 0 HA VAL A 32 3.306 -1.830 -1.673 1.00 50.00 H new ATOM 0 HB VAL A 32 4.944 -1.844 -3.847 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.754 -2.653 -2.347 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.655 -1.547 -1.488 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.532 -3.303 -1.229 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.891 -4.112 -4.170 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.669 -4.779 -3.062 1.00 50.00 H new ATOM 0 HG23 VAL A 32 4.168 -4.066 -4.613 1.00 50.00 H new ATOM 472 N ILE A 33 2.042 -0.531 -3.340 1.00 50.00 N ATOM 473 CA ILE A 33 1.184 0.206 -4.312 1.00 50.00 C ATOM 474 C ILE A 33 1.705 1.632 -4.480 1.00 50.00 C ATOM 475 O ILE A 33 2.195 2.239 -3.547 1.00 50.00 O ATOM 476 CB ILE A 33 -0.217 0.195 -3.694 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.244 0.604 -4.753 1.00 50.00 C ATOM 478 CG2 ILE A 33 -0.280 1.167 -2.516 1.00 50.00 C ATOM 479 CD1 ILE A 33 -1.033 2.071 -5.133 1.00 50.00 C ATOM 0 H ILE A 33 2.275 -0.018 -2.490 1.00 50.00 H new ATOM 0 HA ILE A 33 1.182 -0.247 -5.303 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.441 -0.810 -3.336 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.144 -0.029 -5.635 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -2.254 0.459 -4.370 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -1.281 1.151 -2.084 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.446 0.870 -1.760 1.00 50.00 H new ATOM 0 HG23 ILE A 33 -0.051 2.175 -2.863 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -1.765 2.360 -5.887 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -1.156 2.697 -4.249 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -0.028 2.202 -5.534 1.00 50.00 H new ATOM 491 N GLU A 34 1.622 2.167 -5.663 1.00 50.00 N ATOM 492 CA GLU A 34 2.130 3.548 -5.886 1.00 50.00 C ATOM 493 C GLU A 34 0.975 4.522 -6.121 1.00 50.00 C ATOM 494 O GLU A 34 0.101 4.281 -6.928 1.00 50.00 O ATOM 495 CB GLU A 34 3.003 3.450 -7.138 1.00 50.00 C ATOM 496 CG GLU A 34 4.159 4.447 -7.036 1.00 50.00 C ATOM 497 CD GLU A 34 4.973 4.416 -8.330 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.369 4.336 -9.386 1.00 50.00 O ATOM 499 OE2 GLU A 34 6.189 4.473 -8.243 1.00 50.00 O ATOM 0 H GLU A 34 1.226 1.710 -6.484 1.00 50.00 H new ATOM 0 HA GLU A 34 2.682 3.920 -5.023 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.391 2.437 -7.245 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.407 3.658 -8.027 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.773 5.451 -6.860 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.795 4.197 -6.187 1.00 50.00 H new ATOM 506 N LEU A 35 0.973 5.627 -5.428 1.00 50.00 N ATOM 507 CA LEU A 35 -0.111 6.631 -5.616 1.00 50.00 C ATOM 508 C LEU A 35 0.504 8.027 -5.694 1.00 50.00 C ATOM 509 O LEU A 35 1.355 8.382 -4.906 1.00 50.00 O ATOM 510 CB LEU A 35 -1.003 6.504 -4.381 1.00 50.00 C ATOM 511 CG LEU A 35 -1.213 5.028 -4.051 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.044 4.527 -3.203 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.517 4.861 -3.269 1.00 50.00 C ATOM 0 H LEU A 35 1.679 5.879 -4.736 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.679 6.468 -6.532 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.544 7.015 -3.534 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.963 6.987 -4.562 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.267 4.452 -4.975 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.192 3.473 -2.966 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.886 4.647 -3.758 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.008 5.103 -2.279 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.667 3.808 -3.033 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.463 5.436 -2.344 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.351 5.221 -3.871 1.00 50.00 H new ATOM 525 N SER A 36 0.085 8.825 -6.632 1.00 50.00 N ATOM 526 CA SER A 36 0.654 10.186 -6.750 1.00 50.00 C ATOM 527 C SER A 36 -0.005 11.095 -5.725 1.00 50.00 C ATOM 528 O SER A 36 -1.210 11.255 -5.713 1.00 50.00 O ATOM 529 CB SER A 36 0.321 10.640 -8.170 1.00 50.00 C ATOM 530 OG SER A 36 0.121 9.499 -8.993 1.00 50.00 O ATOM 0 H SER A 36 -0.629 8.590 -7.322 1.00 50.00 H new ATOM 0 HA SER A 36 1.728 10.211 -6.568 1.00 50.00 H new ATOM 0 HB2 SER A 36 -0.575 11.261 -8.165 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.130 11.252 -8.568 1.00 50.00 H new ATOM 0 HG SER A 36 -0.095 9.787 -9.905 1.00 50.00 H new ATOM 536 N TYR A 37 0.760 11.691 -4.858 1.00 50.00 N ATOM 537 CA TYR A 37 0.133 12.577 -3.851 1.00 50.00 C ATOM 538 C TYR A 37 0.097 14.010 -4.385 1.00 50.00 C ATOM 539 O TYR A 37 1.105 14.684 -4.452 1.00 50.00 O ATOM 540 CB TYR A 37 1.018 12.472 -2.608 1.00 50.00 C ATOM 541 CG TYR A 37 0.835 13.701 -1.750 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.283 13.809 -0.914 1.00 50.00 C ATOM 543 CD2 TYR A 37 1.780 14.734 -1.792 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.454 14.948 -0.119 1.00 50.00 C ATOM 545 CE2 TYR A 37 1.608 15.873 -0.997 1.00 50.00 C ATOM 546 CZ TYR A 37 0.490 15.980 -0.160 1.00 50.00 C ATOM 547 OH TYR A 37 0.320 17.102 0.624 1.00 49.57 O ATOM 0 H TYR A 37 1.775 11.604 -4.804 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.895 12.294 -3.624 1.00 50.00 H new ATOM 0 HB2 TYR A 37 0.760 11.578 -2.040 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.063 12.373 -2.901 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.013 13.014 -0.883 1.00 50.00 H new ATOM 0 HD2 TYR A 37 2.642 14.652 -2.438 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.316 15.031 0.527 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.337 16.669 -1.029 1.00 50.00 H new ATOM 0 HH TYR A 37 0.440 16.864 1.567 1.00 49.57 H new ATOM 557 N SER A 38 -1.057 14.475 -4.773 1.00 50.00 N ATOM 558 CA SER A 38 -1.156 15.854 -5.311 1.00 50.00 C ATOM 559 C SER A 38 -1.552 16.824 -4.199 1.00 50.00 C ATOM 560 O SER A 38 -2.650 17.344 -4.176 1.00 50.00 O ATOM 561 CB SER A 38 -2.244 15.785 -6.381 1.00 50.00 C ATOM 562 OG SER A 38 -1.638 15.757 -7.666 1.00 50.00 O ATOM 0 H SER A 38 -1.935 13.957 -4.740 1.00 50.00 H new ATOM 0 HA SER A 38 -0.210 16.209 -5.719 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.857 14.895 -6.236 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.907 16.646 -6.298 1.00 50.00 H new ATOM 0 HG SER A 38 -2.334 15.711 -8.355 1.00 50.00 H new ATOM 568 N GLY A 39 -0.669 17.067 -3.274 1.00 99.99 N ATOM 569 CA GLY A 39 -0.997 17.999 -2.161 1.00 99.99 C ATOM 570 C GLY A 39 0.010 19.150 -2.144 1.00 99.99 C ATOM 571 O GLY A 39 1.207 18.940 -2.139 1.00 99.99 O ATOM 0 H GLY A 39 0.266 16.661 -3.240 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.008 18.388 -2.285 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -0.974 17.468 -1.209 1.00 99.99 H new ATOM 575 N SER A 40 -0.465 20.365 -2.137 1.00 99.99 N ATOM 576 CA SER A 40 0.467 21.530 -2.125 1.00 99.99 C ATOM 577 C SER A 40 0.833 21.902 -0.685 1.00 99.99 C ATOM 578 O SER A 40 1.128 23.042 -0.386 1.00 99.99 O ATOM 579 CB SER A 40 -0.309 22.665 -2.789 1.00 99.99 C ATOM 580 OG SER A 40 -1.650 22.655 -2.320 1.00 99.99 O ATOM 0 H SER A 40 -1.457 20.602 -2.139 1.00 99.99 H new ATOM 0 HA SER A 40 1.401 21.315 -2.644 1.00 99.99 H new ATOM 0 HB2 SER A 40 0.160 23.623 -2.563 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.290 22.549 -3.873 1.00 99.99 H new ATOM 0 HG SER A 40 -2.150 23.384 -2.743 1.00 99.99 H new ATOM 586 N ASP A 41 0.817 20.951 0.208 1.00 99.99 N ATOM 587 CA ASP A 41 1.166 21.258 1.625 1.00 99.99 C ATOM 588 C ASP A 41 2.511 20.623 1.989 1.00 99.99 C ATOM 589 O ASP A 41 2.994 20.762 3.095 1.00 99.99 O ATOM 590 CB ASP A 41 0.039 20.640 2.454 1.00 99.99 C ATOM 591 CG ASP A 41 -0.208 19.204 1.992 1.00 99.99 C ATOM 592 OD1 ASP A 41 -0.931 19.029 1.025 1.00 99.99 O ATOM 593 OD2 ASP A 41 0.331 18.302 2.613 1.00 99.99 O ATOM 0 H ASP A 41 0.578 19.977 0.019 1.00 99.99 H new ATOM 0 HA ASP A 41 1.263 22.329 1.803 1.00 99.99 H new ATOM 0 HB2 ASP A 41 0.303 20.652 3.512 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.871 21.229 2.346 1.00 99.99 H new ATOM 598 N GLY A 42 3.119 19.926 1.067 1.00 99.99 N ATOM 599 CA GLY A 42 4.430 19.282 1.362 1.00 99.99 C ATOM 600 C GLY A 42 4.195 17.853 1.854 1.00 99.99 C ATOM 601 O GLY A 42 3.166 17.266 1.584 1.00 99.99 O ATOM 0 H GLY A 42 2.764 19.775 0.123 1.00 99.99 H new ATOM 0 HA2 GLY A 42 5.052 19.273 0.467 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.967 19.855 2.118 1.00 99.99 H new ATOM 605 N PRO A 43 5.161 17.339 2.566 1.00 99.99 N ATOM 606 CA PRO A 43 5.055 15.963 3.106 1.00 99.99 C ATOM 607 C PRO A 43 4.052 15.929 4.261 1.00 99.99 C ATOM 608 O PRO A 43 3.818 16.921 4.923 1.00 99.99 O ATOM 609 CB PRO A 43 6.470 15.658 3.592 1.00 99.99 C ATOM 610 CG PRO A 43 7.083 16.994 3.865 1.00 99.99 C ATOM 611 CD PRO A 43 6.426 17.983 2.933 1.00 99.99 C ATOM 0 HA PRO A 43 4.702 15.235 2.376 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.454 15.040 4.490 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.036 15.111 2.839 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.929 17.283 4.905 1.00 99.99 H new ATOM 0 HG3 PRO A 43 8.160 16.965 3.699 1.00 99.99 H new ATOM 0 HD2 PRO A 43 6.258 18.942 3.423 1.00 99.99 H new ATOM 0 HD3 PRO A 43 7.044 18.177 2.056 1.00 99.99 H new ATOM 619 N CYS A 44 3.449 14.798 4.504 1.00 50.00 N ATOM 620 CA CYS A 44 2.453 14.706 5.609 1.00 50.00 C ATOM 621 C CYS A 44 2.071 13.245 5.853 1.00 50.00 C ATOM 622 O CYS A 44 2.196 12.409 4.981 1.00 50.00 O ATOM 623 CB CYS A 44 1.239 15.482 5.099 1.00 50.00 C ATOM 624 SG CYS A 44 0.813 16.807 6.257 1.00 50.00 S ATOM 0 H CYS A 44 3.603 13.933 3.985 1.00 50.00 H new ATOM 0 HA CYS A 44 2.839 15.102 6.549 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.453 15.903 4.117 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.391 14.808 4.979 1.00 50.00 H new ATOM 629 N LYS A 45 1.587 12.933 7.023 1.00 50.00 N ATOM 630 CA LYS A 45 1.183 11.526 7.302 1.00 50.00 C ATOM 631 C LYS A 45 -0.080 11.196 6.504 1.00 50.00 C ATOM 632 O LYS A 45 -1.070 11.894 6.581 1.00 50.00 O ATOM 633 CB LYS A 45 0.900 11.471 8.806 1.00 50.00 C ATOM 634 CG LYS A 45 1.961 12.269 9.571 1.00 50.00 C ATOM 635 CD LYS A 45 3.356 11.934 9.035 1.00 50.00 C ATOM 636 CE LYS A 45 4.305 13.098 9.328 1.00 50.00 C ATOM 637 NZ LYS A 45 5.276 12.561 10.322 1.00 50.00 N ATOM 0 H LYS A 45 1.454 13.587 7.794 1.00 50.00 H new ATOM 0 HA LYS A 45 1.951 10.806 7.018 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.090 11.877 9.013 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.898 10.435 9.146 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.769 13.337 9.467 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.906 12.037 10.635 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.727 11.021 9.501 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.311 11.748 7.962 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.811 13.432 8.422 1.00 50.00 H new ATOM 0 HE3 LYS A 45 3.765 13.957 9.727 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.721 13.350 10.834 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.778 11.947 10.998 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 6.008 12.011 9.830 1.00 50.00 H new ATOM 651 N ILE A 46 -0.052 10.148 5.729 1.00 50.00 N ATOM 652 CA ILE A 46 -1.253 9.792 4.917 1.00 50.00 C ATOM 653 C ILE A 46 -2.277 9.041 5.775 1.00 50.00 C ATOM 654 O ILE A 46 -2.053 7.911 6.162 1.00 50.00 O ATOM 655 CB ILE A 46 -0.728 8.893 3.796 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.633 9.411 3.317 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.717 8.906 2.629 1.00 50.00 C ATOM 658 CD1 ILE A 46 0.984 8.767 1.974 1.00 50.00 C ATOM 0 H ILE A 46 0.747 9.523 5.622 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.758 10.676 4.526 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.617 7.875 4.169 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.605 10.496 3.215 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.402 9.180 4.055 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.344 8.266 1.829 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.685 8.537 2.968 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.827 9.925 2.257 1.00 50.00 H new ATOM 0 HD11 ILE A 46 1.952 9.137 1.635 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.030 7.684 2.091 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.221 9.021 1.238 1.00 50.00 H new ATOM 670 N PRO A 47 -3.374 9.700 6.038 1.00 50.00 N ATOM 671 CA PRO A 47 -4.452 9.091 6.854 1.00 50.00 C ATOM 672 C PRO A 47 -5.223 8.058 6.026 1.00 50.00 C ATOM 673 O PRO A 47 -6.251 8.355 5.452 1.00 50.00 O ATOM 674 CB PRO A 47 -5.345 10.274 7.207 1.00 50.00 C ATOM 675 CG PRO A 47 -5.109 11.280 6.125 1.00 50.00 C ATOM 676 CD PRO A 47 -3.710 11.062 5.607 1.00 50.00 C ATOM 0 HA PRO A 47 -4.081 8.566 7.734 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.393 9.978 7.248 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.091 10.681 8.186 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.838 11.161 5.324 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.222 12.293 6.511 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.668 11.158 4.522 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.014 11.793 6.019 1.00 50.00 H new ATOM 684 N ILE A 48 -4.735 6.850 5.958 1.00 50.00 N ATOM 685 CA ILE A 48 -5.446 5.809 5.163 1.00 50.00 C ATOM 686 C ILE A 48 -5.757 4.591 6.034 1.00 50.00 C ATOM 687 O ILE A 48 -5.030 4.268 6.953 1.00 50.00 O ATOM 688 CB ILE A 48 -4.473 5.431 4.048 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.303 6.617 3.096 1.00 50.00 C ATOM 690 CG2 ILE A 48 -5.027 4.233 3.273 1.00 50.00 C ATOM 691 CD1 ILE A 48 -3.029 6.431 2.271 1.00 50.00 C ATOM 0 H ILE A 48 -3.878 6.539 6.416 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.398 6.170 4.773 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.507 5.170 4.481 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -5.168 6.695 2.437 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.250 7.547 3.662 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -4.333 3.962 2.477 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -5.150 3.387 3.950 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.992 4.495 2.840 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.908 7.276 1.593 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.169 6.375 2.938 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.101 5.510 1.693 1.00 50.00 H new ATOM 703 N VAL A 49 -6.830 3.908 5.747 1.00 50.00 N ATOM 704 CA VAL A 49 -7.188 2.705 6.549 1.00 50.00 C ATOM 705 C VAL A 49 -7.157 1.460 5.660 1.00 50.00 C ATOM 706 O VAL A 49 -7.530 1.502 4.505 1.00 50.00 O ATOM 707 CB VAL A 49 -8.606 2.972 7.053 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.682 4.383 7.638 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.589 2.852 5.887 1.00 50.00 C ATOM 0 H VAL A 49 -7.476 4.132 4.990 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.494 2.529 7.371 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.862 2.245 7.824 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.693 4.574 7.998 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.979 4.472 8.467 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -8.428 5.111 6.867 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.601 3.042 6.244 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.332 3.581 5.118 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.535 1.848 5.467 1.00 50.00 H new ATOM 719 N SER A 50 -6.714 0.352 6.187 1.00 50.00 N ATOM 720 CA SER A 50 -6.660 -0.891 5.366 1.00 50.00 C ATOM 721 C SER A 50 -7.478 -1.996 6.035 1.00 50.00 C ATOM 722 O SER A 50 -7.035 -2.630 6.973 1.00 50.00 O ATOM 723 CB SER A 50 -5.180 -1.270 5.319 1.00 50.00 C ATOM 724 OG SER A 50 -4.500 -0.393 4.430 1.00 50.00 O ATOM 0 H SER A 50 -6.388 0.253 7.148 1.00 50.00 H new ATOM 0 HA SER A 50 -7.074 -0.748 4.368 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.744 -1.206 6.316 1.00 50.00 H new ATOM 0 HB3 SER A 50 -5.067 -2.302 4.988 1.00 50.00 H new ATOM 0 HG SER A 50 -3.540 -0.407 4.627 1.00 50.00 H new ATOM 730 N VAL A 51 -8.670 -2.228 5.563 1.00 50.00 N ATOM 731 CA VAL A 51 -9.518 -3.290 6.171 1.00 50.00 C ATOM 732 C VAL A 51 -10.050 -4.227 5.087 1.00 50.00 C ATOM 733 O VAL A 51 -10.133 -3.869 3.930 1.00 50.00 O ATOM 734 CB VAL A 51 -10.671 -2.542 6.842 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.121 -1.635 7.944 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.401 -1.692 5.800 1.00 50.00 C ATOM 0 H VAL A 51 -9.094 -1.728 4.782 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.963 -3.905 6.879 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.365 -3.261 7.277 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.944 -1.103 8.421 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.600 -2.240 8.687 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.426 -0.916 7.510 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.223 -1.158 6.277 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.706 -0.974 5.365 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.795 -2.338 5.015 1.00 50.00 H new ATOM 746 N ALA A 52 -10.413 -5.423 5.455 1.00 50.00 N ATOM 747 CA ALA A 52 -10.943 -6.385 4.449 1.00 50.00 C ATOM 748 C ALA A 52 -12.145 -5.775 3.724 1.00 50.00 C ATOM 749 O ALA A 52 -12.717 -4.798 4.165 1.00 50.00 O ATOM 750 CB ALA A 52 -11.372 -7.609 5.260 1.00 50.00 C ATOM 0 H ALA A 52 -10.366 -5.777 6.410 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.205 -6.639 3.688 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.775 -8.367 4.589 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.510 -8.015 5.790 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.137 -7.318 5.980 1.00 50.00 H new ATOM 756 N SER A 53 -12.527 -6.335 2.611 1.00 50.00 N ATOM 757 CA SER A 53 -13.686 -5.779 1.857 1.00 50.00 C ATOM 758 C SER A 53 -14.962 -5.857 2.701 1.00 50.00 C ATOM 759 O SER A 53 -15.377 -6.921 3.116 1.00 50.00 O ATOM 760 CB SER A 53 -13.811 -6.664 0.617 1.00 50.00 C ATOM 761 OG SER A 53 -14.725 -6.070 -0.294 1.00 50.00 O ATOM 0 H SER A 53 -12.087 -7.154 2.190 1.00 50.00 H new ATOM 0 HA SER A 53 -13.543 -4.730 1.600 1.00 50.00 H new ATOM 0 HB2 SER A 53 -12.837 -6.787 0.144 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.156 -7.659 0.899 1.00 50.00 H new ATOM 0 HG SER A 53 -14.650 -5.094 -0.243 1.00 50.00 H new ATOM 767 N LEU A 54 -15.584 -4.733 2.952 1.00 50.00 N ATOM 768 CA LEU A 54 -16.842 -4.736 3.764 1.00 50.00 C ATOM 769 C LEU A 54 -16.522 -4.825 5.260 1.00 50.00 C ATOM 770 O LEU A 54 -17.291 -5.353 6.038 1.00 50.00 O ATOM 771 CB LEU A 54 -17.628 -5.968 3.306 1.00 50.00 C ATOM 772 CG LEU A 54 -19.100 -5.594 3.125 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.874 -6.805 2.599 1.00 50.00 C ATOM 774 CD2 LEU A 54 -19.686 -5.165 4.472 1.00 50.00 C ATOM 0 H LEU A 54 -15.277 -3.815 2.631 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.413 -3.819 3.620 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.220 -6.346 2.369 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.532 -6.768 4.041 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.180 -4.773 2.413 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.923 -6.538 2.470 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.458 -7.114 1.640 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.793 -7.626 3.312 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -20.735 -4.898 4.344 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -19.605 -5.988 5.183 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.136 -4.303 4.850 1.00 50.00 H new ATOM 786 N ASN A 55 -15.402 -4.296 5.672 1.00 50.00 N ATOM 787 CA ASN A 55 -15.049 -4.334 7.121 1.00 50.00 C ATOM 788 C ASN A 55 -14.518 -2.971 7.571 1.00 50.00 C ATOM 789 O ASN A 55 -13.326 -2.740 7.610 1.00 50.00 O ATOM 790 CB ASN A 55 -13.957 -5.399 7.232 1.00 50.00 C ATOM 791 CG ASN A 55 -14.384 -6.652 6.465 1.00 50.00 C ATOM 792 OD1 ASN A 55 -13.953 -6.873 5.351 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.221 -7.487 7.018 1.00 50.00 N ATOM 0 H ASN A 55 -14.717 -3.840 5.070 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.908 -4.563 7.751 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.019 -5.016 6.830 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.779 -5.644 8.279 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.513 -8.325 6.515 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -15.583 -7.302 7.953 1.00 50.00 H new ATOM 800 N ASP A 56 -15.394 -2.065 7.911 1.00 50.00 N ATOM 801 CA ASP A 56 -14.937 -0.717 8.357 1.00 50.00 C ATOM 802 C ASP A 56 -15.122 -0.562 9.869 1.00 50.00 C ATOM 803 O ASP A 56 -14.960 0.511 10.416 1.00 50.00 O ATOM 804 CB ASP A 56 -15.828 0.272 7.605 1.00 50.00 C ATOM 805 CG ASP A 56 -15.015 1.514 7.236 1.00 50.00 C ATOM 806 OD1 ASP A 56 -13.810 1.485 7.420 1.00 50.00 O ATOM 807 OD2 ASP A 56 -15.613 2.473 6.777 1.00 50.00 O ATOM 0 H ASP A 56 -16.405 -2.199 7.899 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.879 -0.554 8.151 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.228 -0.194 6.705 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.680 0.553 8.224 1.00 50.00 H new ATOM 812 N MET A 57 -15.462 -1.622 10.550 1.00 50.00 N ATOM 813 CA MET A 57 -15.660 -1.525 12.026 1.00 50.00 C ATOM 814 C MET A 57 -14.466 -2.132 12.766 1.00 50.00 C ATOM 815 O MET A 57 -14.254 -1.881 13.935 1.00 50.00 O ATOM 816 CB MET A 57 -16.932 -2.323 12.310 1.00 50.00 C ATOM 817 CG MET A 57 -17.577 -1.815 13.600 1.00 50.00 C ATOM 818 SD MET A 57 -19.171 -1.049 13.217 1.00 50.00 S ATOM 819 CE MET A 57 -20.220 -2.354 13.905 1.00 50.00 C ATOM 0 H MET A 57 -15.611 -2.549 10.151 1.00 50.00 H new ATOM 0 HA MET A 57 -15.745 -0.491 12.362 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.630 -2.223 11.479 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.696 -3.383 12.402 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.716 -2.640 14.299 1.00 50.00 H new ATOM 0 HG3 MET A 57 -16.922 -1.092 14.087 1.00 50.00 H new ATOM 0 HE1 MET A 57 -21.268 -2.085 13.775 1.00 50.00 H new ATOM 0 HE2 MET A 57 -20.020 -3.292 13.388 1.00 50.00 H new ATOM 0 HE3 MET A 57 -20.005 -2.472 14.967 1.00 50.00 H new ATOM 829 N THR A 58 -13.686 -2.927 12.091 1.00 50.00 N ATOM 830 CA THR A 58 -12.504 -3.550 12.755 1.00 50.00 C ATOM 831 C THR A 58 -11.282 -3.474 11.836 1.00 50.00 C ATOM 832 O THR A 58 -11.405 -3.548 10.630 1.00 50.00 O ATOM 833 CB THR A 58 -12.905 -5.004 13.000 1.00 50.00 C ATOM 834 OG1 THR A 58 -13.405 -5.567 11.794 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.987 -5.063 14.079 1.00 50.00 C ATOM 0 H THR A 58 -13.814 -3.174 11.109 1.00 50.00 H new ATOM 0 HA THR A 58 -12.236 -3.043 13.682 1.00 50.00 H new ATOM 0 HB THR A 58 -12.034 -5.569 13.331 1.00 50.00 H new ATOM 0 HG1 THR A 58 -13.661 -6.500 11.950 1.00 50.00 H new ATOM 0 HG21 THR A 58 -14.272 -6.101 14.252 1.00 50.00 H new ATOM 0 HG22 THR A 58 -13.602 -4.633 15.004 1.00 50.00 H new ATOM 0 HG23 THR A 58 -14.859 -4.497 13.751 1.00 50.00 H new ATOM 843 N PRO A 59 -10.139 -3.324 12.447 1.00 50.00 N ATOM 844 CA PRO A 59 -8.872 -3.234 11.682 1.00 50.00 C ATOM 845 C PRO A 59 -8.480 -4.607 11.131 1.00 50.00 C ATOM 846 O PRO A 59 -8.495 -5.597 11.835 1.00 50.00 O ATOM 847 CB PRO A 59 -7.861 -2.755 12.721 1.00 50.00 C ATOM 848 CG PRO A 59 -8.421 -3.191 14.037 1.00 50.00 C ATOM 849 CD PRO A 59 -9.921 -3.227 13.894 1.00 50.00 C ATOM 0 HA PRO A 59 -8.938 -2.570 10.820 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.878 -3.193 12.546 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.739 -1.672 12.683 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.037 -4.173 14.312 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.126 -2.501 14.828 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.351 -4.079 14.420 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.383 -2.330 14.308 1.00 50.00 H new ATOM 857 N VAL A 60 -8.126 -4.672 9.877 1.00 50.00 N ATOM 858 CA VAL A 60 -7.730 -5.982 9.281 1.00 50.00 C ATOM 859 C VAL A 60 -6.450 -5.815 8.470 1.00 50.00 C ATOM 860 O VAL A 60 -5.439 -6.432 8.742 1.00 50.00 O ATOM 861 CB VAL A 60 -8.895 -6.376 8.372 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.822 -7.874 8.072 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.219 -6.060 9.070 1.00 50.00 C ATOM 0 H VAL A 60 -8.093 -3.877 9.239 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.535 -6.742 10.038 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.834 -5.814 7.440 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.652 -8.156 7.424 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.879 -8.100 7.573 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.883 -8.435 9.004 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.049 -6.341 8.421 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.282 -6.621 10.003 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.272 -4.993 9.284 1.00 50.00 H new ATOM 873 N GLY A 61 -6.488 -4.972 7.484 1.00 50.00 N ATOM 874 CA GLY A 61 -5.278 -4.741 6.650 1.00 50.00 C ATOM 875 C GLY A 61 -4.253 -3.965 7.478 1.00 50.00 C ATOM 876 O GLY A 61 -4.603 -3.259 8.403 1.00 50.00 O ATOM 0 H GLY A 61 -7.308 -4.428 7.216 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.857 -5.692 6.323 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.539 -4.182 5.752 1.00 50.00 H new ATOM 880 N ARG A 62 -2.991 -4.094 7.172 1.00 50.00 N ATOM 881 CA ARG A 62 -1.963 -3.365 7.971 1.00 50.00 C ATOM 882 C ARG A 62 -0.830 -2.871 7.071 1.00 50.00 C ATOM 883 O ARG A 62 -0.595 -3.400 6.005 1.00 50.00 O ATOM 884 CB ARG A 62 -1.441 -4.398 8.970 1.00 50.00 C ATOM 885 CG ARG A 62 -2.621 -5.140 9.602 1.00 50.00 C ATOM 886 CD ARG A 62 -2.192 -5.733 10.946 1.00 50.00 C ATOM 887 NE ARG A 62 -3.448 -5.841 11.739 1.00 50.00 N ATOM 888 CZ ARG A 62 -3.774 -6.978 12.291 1.00 50.00 C ATOM 889 NH1 ARG A 62 -3.152 -7.384 13.363 1.00 50.00 N ATOM 890 NH2 ARG A 62 -4.721 -7.709 11.769 1.00 50.00 N ATOM 0 H ARG A 62 -2.628 -4.667 6.410 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.375 -2.484 8.464 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.781 -5.105 8.467 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.851 -3.906 9.743 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.459 -4.458 9.745 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.965 -5.932 8.936 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -1.723 -6.708 10.815 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -1.464 -5.093 11.445 1.00 50.00 H new ATOM 0 HE ARG A 62 -4.053 -5.027 11.851 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -2.411 -6.813 13.770 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -3.406 -8.272 13.795 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -5.206 -7.392 10.930 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -4.976 -8.598 12.200 1.00 50.00 H new ATOM 904 N LEU A 63 -0.124 -1.859 7.493 1.00 50.00 N ATOM 905 CA LEU A 63 0.997 -1.333 6.663 1.00 50.00 C ATOM 906 C LEU A 63 2.280 -2.118 6.957 1.00 50.00 C ATOM 907 O LEU A 63 2.579 -2.433 8.092 1.00 50.00 O ATOM 908 CB LEU A 63 1.150 0.128 7.086 1.00 50.00 C ATOM 909 CG LEU A 63 -0.166 0.869 6.842 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.640 1.515 8.146 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.051 1.954 5.785 1.00 50.00 C ATOM 0 H LEU A 63 -0.275 -1.373 8.377 1.00 50.00 H new ATOM 0 HA LEU A 63 0.804 -1.427 5.594 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.423 0.186 8.140 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.955 0.599 6.522 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.920 0.164 6.492 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.578 2.043 7.971 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.793 0.743 8.900 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.113 2.220 8.497 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.885 2.483 5.609 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.806 2.658 6.136 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.388 1.494 4.856 1.00 50.00 H new ATOM 923 N VAL A 64 3.035 -2.439 5.943 1.00 50.00 N ATOM 924 CA VAL A 64 4.295 -3.207 6.164 1.00 50.00 C ATOM 925 C VAL A 64 5.477 -2.253 6.352 1.00 50.00 C ATOM 926 O VAL A 64 6.431 -2.559 7.041 1.00 50.00 O ATOM 927 CB VAL A 64 4.474 -4.040 4.895 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.833 -4.740 4.929 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.363 -5.088 4.815 1.00 50.00 C ATOM 0 H VAL A 64 2.835 -2.203 4.971 1.00 50.00 H new ATOM 0 HA VAL A 64 4.248 -3.827 7.059 1.00 50.00 H new ATOM 0 HB VAL A 64 4.425 -3.388 4.023 1.00 50.00 H new ATOM 0 HG11 VAL A 64 5.959 -5.334 4.024 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.625 -3.994 4.987 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.885 -5.392 5.801 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.489 -5.683 3.911 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.413 -5.739 5.688 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.394 -4.590 4.790 1.00 50.00 H new ATOM 939 N THR A 65 5.423 -1.099 5.747 1.00 50.00 N ATOM 940 CA THR A 65 6.545 -0.129 5.893 1.00 50.00 C ATOM 941 C THR A 65 6.240 0.868 7.014 1.00 50.00 C ATOM 942 O THR A 65 5.176 0.848 7.601 1.00 50.00 O ATOM 943 CB THR A 65 6.628 0.589 4.543 1.00 50.00 C ATOM 944 OG1 THR A 65 7.736 1.477 4.548 1.00 50.00 O ATOM 945 CG2 THR A 65 5.340 1.376 4.303 1.00 50.00 C ATOM 0 H THR A 65 4.651 -0.786 5.158 1.00 50.00 H new ATOM 0 HA THR A 65 7.483 -0.619 6.151 1.00 50.00 H new ATOM 0 HB THR A 65 6.755 -0.145 3.747 1.00 50.00 H new ATOM 0 HG1 THR A 65 7.791 1.936 3.684 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.400 1.887 3.342 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.491 0.692 4.298 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.209 2.111 5.097 1.00 50.00 H new ATOM 953 N VAL A 66 7.165 1.737 7.317 1.00 50.00 N ATOM 954 CA VAL A 66 6.927 2.733 8.402 1.00 50.00 C ATOM 955 C VAL A 66 5.523 3.334 8.271 1.00 50.00 C ATOM 956 O VAL A 66 4.832 3.113 7.296 1.00 50.00 O ATOM 957 CB VAL A 66 7.990 3.810 8.189 1.00 50.00 C ATOM 958 CG1 VAL A 66 7.875 4.868 9.287 1.00 50.00 C ATOM 959 CG2 VAL A 66 9.379 3.170 8.242 1.00 50.00 C ATOM 0 H VAL A 66 8.075 1.801 6.861 1.00 50.00 H new ATOM 0 HA VAL A 66 6.990 2.286 9.394 1.00 50.00 H new ATOM 0 HB VAL A 66 7.841 4.280 7.217 1.00 50.00 H new ATOM 0 HG11 VAL A 66 8.634 5.635 9.134 1.00 50.00 H new ATOM 0 HG12 VAL A 66 6.886 5.324 9.251 1.00 50.00 H new ATOM 0 HG13 VAL A 66 8.024 4.400 10.260 1.00 50.00 H new ATOM 0 HG21 VAL A 66 10.139 3.937 8.090 1.00 50.00 H new ATOM 0 HG22 VAL A 66 9.526 2.700 9.215 1.00 50.00 H new ATOM 0 HG23 VAL A 66 9.462 2.416 7.459 1.00 50.00 H new ATOM 969 N ASN A 67 5.098 4.091 9.244 1.00 50.00 N ATOM 970 CA ASN A 67 3.740 4.702 9.170 1.00 50.00 C ATOM 971 C ASN A 67 3.524 5.332 7.790 1.00 50.00 C ATOM 972 O ASN A 67 4.467 5.578 7.065 1.00 50.00 O ATOM 973 CB ASN A 67 3.727 5.776 10.262 1.00 50.00 C ATOM 974 CG ASN A 67 4.460 7.025 9.767 1.00 50.00 C ATOM 975 OD1 ASN A 67 5.516 6.928 9.175 1.00 50.00 O ATOM 976 ND2 ASN A 67 3.941 8.202 9.987 1.00 50.00 N ATOM 0 H ASN A 67 5.630 4.313 10.085 1.00 50.00 H new ATOM 0 HA ASN A 67 2.946 3.969 9.314 1.00 50.00 H new ATOM 0 HB2 ASN A 67 2.700 6.027 10.527 1.00 50.00 H new ATOM 0 HB3 ASN A 67 4.205 5.396 11.165 1.00 50.00 H new ATOM 0 HD21 ASN A 67 4.422 9.040 9.662 1.00 50.00 H new ATOM 0 HD22 ASN A 67 3.054 8.283 10.484 1.00 50.00 H new ATOM 983 N PRO A 68 2.280 5.571 7.475 1.00 50.00 N ATOM 984 CA PRO A 68 1.931 6.179 6.169 1.00 50.00 C ATOM 985 C PRO A 68 2.320 7.660 6.151 1.00 50.00 C ATOM 986 O PRO A 68 1.550 8.519 6.534 1.00 50.00 O ATOM 987 CB PRO A 68 0.416 6.009 6.091 1.00 50.00 C ATOM 988 CG PRO A 68 -0.038 5.910 7.513 1.00 50.00 C ATOM 989 CD PRO A 68 1.096 5.303 8.298 1.00 50.00 C ATOM 0 HA PRO A 68 2.449 5.720 5.327 1.00 50.00 H new ATOM 0 HB2 PRO A 68 -0.050 6.855 5.586 1.00 50.00 H new ATOM 0 HB3 PRO A 68 0.148 5.115 5.528 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.295 6.894 7.905 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.933 5.293 7.590 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.185 5.756 9.285 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.949 4.234 8.450 1.00 50.00 H new ATOM 997 N PHE A 69 3.514 7.965 5.717 1.00 50.00 N ATOM 998 CA PHE A 69 3.953 9.389 5.683 1.00 50.00 C ATOM 999 C PHE A 69 4.945 9.614 4.537 1.00 50.00 C ATOM 1000 O PHE A 69 5.983 8.985 4.469 1.00 50.00 O ATOM 1001 CB PHE A 69 4.630 9.615 7.034 1.00 50.00 C ATOM 1002 CG PHE A 69 5.411 10.906 7.007 1.00 50.00 C ATOM 1003 CD1 PHE A 69 4.971 11.976 6.220 1.00 50.00 C ATOM 1004 CD2 PHE A 69 6.574 11.031 7.774 1.00 50.00 C ATOM 1005 CE1 PHE A 69 5.698 13.173 6.199 1.00 50.00 C ATOM 1006 CE2 PHE A 69 7.299 12.229 7.755 1.00 50.00 C ATOM 1007 CZ PHE A 69 6.862 13.300 6.966 1.00 50.00 C ATOM 0 H PHE A 69 4.203 7.290 5.385 1.00 50.00 H new ATOM 0 HA PHE A 69 3.124 10.077 5.517 1.00 50.00 H new ATOM 0 HB2 PHE A 69 3.881 9.649 7.825 1.00 50.00 H new ATOM 0 HB3 PHE A 69 5.295 8.782 7.261 1.00 50.00 H new ATOM 0 HD1 PHE A 69 4.072 11.879 5.629 1.00 50.00 H new ATOM 0 HD2 PHE A 69 6.913 10.204 8.381 1.00 50.00 H new ATOM 0 HE1 PHE A 69 5.360 13.999 5.590 1.00 50.00 H new ATOM 0 HE2 PHE A 69 8.196 12.327 8.349 1.00 50.00 H new ATOM 0 HZ PHE A 69 7.422 14.223 6.949 1.00 50.00 H new ATOM 1017 N VAL A 70 4.634 10.507 3.636 1.00 50.00 N ATOM 1018 CA VAL A 70 5.559 10.772 2.495 1.00 50.00 C ATOM 1019 C VAL A 70 6.577 11.848 2.883 1.00 50.00 C ATOM 1020 O VAL A 70 6.614 12.918 2.308 1.00 50.00 O ATOM 1021 CB VAL A 70 4.664 11.268 1.357 1.00 50.00 C ATOM 1022 CG1 VAL A 70 5.365 11.041 0.016 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.339 10.499 1.371 1.00 50.00 C ATOM 0 H VAL A 70 3.780 11.064 3.640 1.00 50.00 H new ATOM 0 HA VAL A 70 6.123 9.884 2.208 1.00 50.00 H new ATOM 0 HB VAL A 70 4.470 12.332 1.492 1.00 50.00 H new ATOM 0 HG11 VAL A 70 4.726 11.395 -0.793 1.00 50.00 H new ATOM 0 HG12 VAL A 70 6.307 11.589 0.001 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.562 9.977 -0.116 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.704 10.854 0.560 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.535 9.435 1.239 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.835 10.660 2.324 1.00 50.00 H new ATOM 1033 N ALA A 71 7.404 11.573 3.856 1.00 50.00 N ATOM 1034 CA ALA A 71 8.418 12.581 4.281 1.00 50.00 C ATOM 1035 C ALA A 71 9.497 12.732 3.207 1.00 50.00 C ATOM 1036 O ALA A 71 10.651 12.420 3.424 1.00 50.00 O ATOM 1037 CB ALA A 71 9.019 12.019 5.569 1.00 50.00 C ATOM 0 H ALA A 71 7.421 10.695 4.374 1.00 50.00 H new ATOM 0 HA ALA A 71 7.981 13.568 4.432 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.777 12.705 5.947 1.00 50.00 H new ATOM 0 HB2 ALA A 71 8.233 11.900 6.315 1.00 50.00 H new ATOM 0 HB3 ALA A 71 9.476 11.051 5.365 1.00 50.00 H new ATOM 1043 N THR A 72 9.132 13.211 2.050 1.00 50.00 N ATOM 1044 CA THR A 72 10.140 13.382 0.966 1.00 50.00 C ATOM 1045 C THR A 72 9.853 14.659 0.172 1.00 50.00 C ATOM 1046 O THR A 72 8.734 15.129 0.117 1.00 50.00 O ATOM 1047 CB THR A 72 9.981 12.147 0.076 1.00 50.00 C ATOM 1048 OG1 THR A 72 11.110 12.037 -0.782 1.00 50.00 O ATOM 1049 CG2 THR A 72 8.711 12.275 -0.765 1.00 50.00 C ATOM 0 H THR A 72 8.181 13.491 1.808 1.00 50.00 H new ATOM 0 HA THR A 72 11.154 13.474 1.356 1.00 50.00 H new ATOM 0 HB THR A 72 9.908 11.257 0.702 1.00 50.00 H new ATOM 0 HG1 THR A 72 11.012 11.246 -1.352 1.00 50.00 H new ATOM 0 HG21 THR A 72 8.603 11.393 -1.397 1.00 50.00 H new ATOM 0 HG22 THR A 72 7.846 12.359 -0.107 1.00 50.00 H new ATOM 0 HG23 THR A 72 8.778 13.164 -1.392 1.00 50.00 H new ATOM 1057 N SER A 73 10.855 15.222 -0.444 1.00 50.00 N ATOM 1058 CA SER A 73 10.639 16.466 -1.236 1.00 50.00 C ATOM 1059 C SER A 73 10.001 16.126 -2.585 1.00 50.00 C ATOM 1060 O SER A 73 9.688 16.995 -3.374 1.00 50.00 O ATOM 1061 CB SER A 73 12.035 17.053 -1.436 1.00 50.00 C ATOM 1062 OG SER A 73 11.920 18.371 -1.957 1.00 50.00 O ATOM 0 H SER A 73 11.814 14.875 -0.434 1.00 50.00 H new ATOM 0 HA SER A 73 9.971 17.166 -0.735 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.574 17.070 -0.489 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.610 16.428 -2.119 1.00 50.00 H new ATOM 0 HG SER A 73 11.195 18.400 -2.616 1.00 50.00 H new ATOM 1068 N SER A 74 9.805 14.863 -2.855 1.00 99.99 N ATOM 1069 CA SER A 74 9.187 14.463 -4.153 1.00 99.99 C ATOM 1070 C SER A 74 7.861 13.740 -3.906 1.00 99.99 C ATOM 1071 O SER A 74 7.396 12.977 -4.729 1.00 99.99 O ATOM 1072 CB SER A 74 10.199 13.518 -4.800 1.00 99.99 C ATOM 1073 OG SER A 74 10.874 14.199 -5.848 1.00 99.99 O ATOM 0 H SER A 74 10.046 14.091 -2.233 1.00 99.99 H new ATOM 0 HA SER A 74 8.968 15.322 -4.788 1.00 99.99 H new ATOM 0 HB2 SER A 74 10.916 13.170 -4.056 1.00 99.99 H new ATOM 0 HB3 SER A 74 9.692 12.636 -5.191 1.00 99.99 H new ATOM 0 HG SER A 74 11.525 13.596 -6.264 1.00 99.99 H new ATOM 1079 N ALA A 75 7.249 13.973 -2.775 1.00 99.99 N ATOM 1080 CA ALA A 75 5.954 13.296 -2.476 1.00 99.99 C ATOM 1081 C ALA A 75 4.871 13.762 -3.450 1.00 99.99 C ATOM 1082 O ALA A 75 3.769 13.257 -3.453 1.00 99.99 O ATOM 1083 CB ALA A 75 5.600 13.718 -1.052 1.00 99.99 C ATOM 0 H ALA A 75 7.589 14.601 -2.047 1.00 99.99 H new ATOM 0 HA ALA A 75 6.029 12.213 -2.576 1.00 99.99 H new ATOM 0 HB1 ALA A 75 4.656 13.258 -0.760 1.00 99.99 H new ATOM 0 HB2 ALA A 75 6.387 13.395 -0.371 1.00 99.99 H new ATOM 0 HB3 ALA A 75 5.504 14.803 -1.007 1.00 99.99 H new ATOM 1089 N ASN A 76 5.175 14.717 -4.284 1.00 99.99 N ATOM 1090 CA ASN A 76 4.166 15.201 -5.253 1.00 99.99 C ATOM 1091 C ASN A 76 4.190 14.314 -6.492 1.00 99.99 C ATOM 1092 O ASN A 76 3.785 14.715 -7.565 1.00 99.99 O ATOM 1093 CB ASN A 76 4.595 16.627 -5.602 1.00 99.99 C ATOM 1094 CG ASN A 76 4.627 17.480 -4.333 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.636 17.591 -3.637 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.729 18.092 -4.000 1.00 99.99 N ATOM 0 H ASN A 76 6.082 15.181 -4.333 1.00 99.99 H new ATOM 0 HA ASN A 76 3.153 15.177 -4.852 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.579 16.617 -6.070 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.903 17.059 -6.325 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.760 18.664 -3.156 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.560 17.999 -4.584 1.00 99.99 H new ATOM 1103 N SER A 77 4.668 13.108 -6.356 1.00 99.99 N ATOM 1104 CA SER A 77 4.720 12.204 -7.526 1.00 99.99 C ATOM 1105 C SER A 77 4.138 10.845 -7.150 1.00 99.99 C ATOM 1106 O SER A 77 3.616 10.660 -6.065 1.00 99.99 O ATOM 1107 CB SER A 77 6.204 12.080 -7.867 1.00 99.99 C ATOM 1108 OG SER A 77 6.923 13.127 -7.227 1.00 99.99 O ATOM 0 H SER A 77 5.023 12.715 -5.484 1.00 99.99 H new ATOM 0 HA SER A 77 4.144 12.579 -8.372 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.584 11.111 -7.542 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.346 12.133 -8.946 1.00 99.99 H new ATOM 0 HG SER A 77 7.282 12.804 -6.375 1.00 99.99 H new ATOM 1114 N LYS A 78 4.233 9.889 -8.031 1.00 99.99 N ATOM 1115 CA LYS A 78 3.699 8.541 -7.714 1.00 99.99 C ATOM 1116 C LYS A 78 4.486 7.954 -6.543 1.00 99.99 C ATOM 1117 O LYS A 78 5.481 7.281 -6.725 1.00 99.99 O ATOM 1118 CB LYS A 78 3.920 7.715 -8.983 1.00 99.99 C ATOM 1119 CG LYS A 78 5.412 7.687 -9.320 1.00 99.99 C ATOM 1120 CD LYS A 78 5.594 7.402 -10.812 1.00 99.99 C ATOM 1121 CE LYS A 78 7.027 6.933 -11.073 1.00 99.99 C ATOM 1122 NZ LYS A 78 6.969 6.224 -12.381 1.00 99.99 N ATOM 0 H LYS A 78 4.657 9.985 -8.954 1.00 99.99 H new ATOM 0 HA LYS A 78 2.647 8.557 -7.429 1.00 99.99 H new ATOM 0 HB2 LYS A 78 3.550 6.700 -8.838 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.357 8.144 -9.812 1.00 99.99 H new ATOM 0 HG2 LYS A 78 5.872 8.641 -9.063 1.00 99.99 H new ATOM 0 HG3 LYS A 78 5.915 6.921 -8.729 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.886 6.639 -11.136 1.00 99.99 H new ATOM 0 HD3 LYS A 78 5.383 8.300 -11.393 1.00 99.99 H new ATOM 0 HE2 LYS A 78 7.717 7.776 -11.111 1.00 99.99 H new ATOM 0 HE3 LYS A 78 7.376 6.271 -10.281 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 7.916 5.873 -12.628 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 6.310 5.423 -12.313 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 6.640 6.881 -13.118 1.00 99.99 H new ATOM 1136 N VAL A 79 4.053 8.211 -5.342 1.00 99.99 N ATOM 1137 CA VAL A 79 4.776 7.680 -4.162 1.00 99.99 C ATOM 1138 C VAL A 79 4.465 6.186 -4.005 1.00 99.99 C ATOM 1139 O VAL A 79 3.681 5.635 -4.749 1.00 99.99 O ATOM 1140 CB VAL A 79 4.219 8.477 -2.987 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.365 9.972 -3.274 1.00 99.99 C ATOM 1142 CG2 VAL A 79 2.741 8.136 -2.798 1.00 99.99 C ATOM 0 H VAL A 79 3.226 8.769 -5.129 1.00 99.99 H new ATOM 0 HA VAL A 79 5.859 7.775 -4.241 1.00 99.99 H new ATOM 0 HB VAL A 79 4.769 8.225 -2.080 1.00 99.99 H new ATOM 0 HG11 VAL A 79 3.968 10.544 -2.436 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.419 10.215 -3.412 1.00 99.99 H new ATOM 0 HG13 VAL A 79 3.813 10.224 -4.179 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.341 8.705 -1.959 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.190 8.390 -3.704 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.636 7.070 -2.597 1.00 99.99 H new ATOM 1152 N LEU A 80 5.071 5.520 -3.058 1.00 50.00 N ATOM 1153 CA LEU A 80 4.791 4.063 -2.892 1.00 50.00 C ATOM 1154 C LEU A 80 4.583 3.708 -1.416 1.00 50.00 C ATOM 1155 O LEU A 80 5.212 4.265 -0.538 1.00 50.00 O ATOM 1156 CB LEU A 80 6.032 3.357 -3.437 1.00 50.00 C ATOM 1157 CG LEU A 80 5.631 2.009 -4.039 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.500 1.719 -5.264 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.836 0.907 -2.996 1.00 50.00 C ATOM 0 H LEU A 80 5.741 5.916 -2.399 1.00 50.00 H new ATOM 0 HA LEU A 80 3.881 3.766 -3.414 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.512 3.977 -4.194 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.759 3.209 -2.638 1.00 50.00 H new ATOM 0 HG LEU A 80 4.583 2.040 -4.337 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.215 0.759 -5.693 1.00 50.00 H new ATOM 0 HD12 LEU A 80 6.357 2.505 -6.006 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.548 1.687 -4.967 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.551 -0.055 -3.422 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.885 0.876 -2.700 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.218 1.114 -2.122 1.00 50.00 H new ATOM 1171 N VAL A 81 3.708 2.777 -1.140 1.00 50.00 N ATOM 1172 CA VAL A 81 3.461 2.376 0.274 1.00 50.00 C ATOM 1173 C VAL A 81 3.475 0.847 0.392 1.00 50.00 C ATOM 1174 O VAL A 81 3.596 0.143 -0.591 1.00 50.00 O ATOM 1175 CB VAL A 81 2.075 2.931 0.600 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.034 2.260 -0.295 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.746 2.647 2.066 1.00 50.00 C ATOM 0 H VAL A 81 3.153 2.277 -1.835 1.00 50.00 H new ATOM 0 HA VAL A 81 4.221 2.755 0.958 1.00 50.00 H new ATOM 0 HB VAL A 81 2.064 4.007 0.426 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.045 2.656 -0.063 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.269 2.461 -1.340 1.00 50.00 H new ATOM 0 HG13 VAL A 81 1.044 1.184 -0.121 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.758 3.042 2.300 1.00 50.00 H new ATOM 0 HG22 VAL A 81 1.757 1.571 2.239 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.489 3.125 2.705 1.00 50.00 H new ATOM 1187 N GLU A 82 3.359 0.326 1.585 1.00 50.00 N ATOM 1188 CA GLU A 82 3.374 -1.157 1.750 1.00 50.00 C ATOM 1189 C GLU A 82 2.349 -1.593 2.803 1.00 50.00 C ATOM 1190 O GLU A 82 2.123 -0.912 3.784 1.00 50.00 O ATOM 1191 CB GLU A 82 4.793 -1.486 2.215 1.00 50.00 C ATOM 1192 CG GLU A 82 5.798 -1.015 1.162 1.00 50.00 C ATOM 1193 CD GLU A 82 6.844 -2.106 0.928 1.00 50.00 C ATOM 1194 OE1 GLU A 82 6.514 -3.265 1.118 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.957 -1.765 0.562 1.00 50.00 O ATOM 0 H GLU A 82 3.255 0.860 2.448 1.00 50.00 H new ATOM 0 HA GLU A 82 3.113 -1.675 0.827 1.00 50.00 H new ATOM 0 HB2 GLU A 82 4.996 -1.000 3.169 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.895 -2.559 2.376 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.282 -0.785 0.230 1.00 50.00 H new ATOM 0 HG3 GLU A 82 6.283 -0.097 1.493 1.00 50.00 H new ATOM 1202 N MET A 83 1.731 -2.727 2.608 1.00 50.00 N ATOM 1203 CA MET A 83 0.725 -3.213 3.597 1.00 50.00 C ATOM 1204 C MET A 83 0.510 -4.721 3.434 1.00 50.00 C ATOM 1205 O MET A 83 0.406 -5.227 2.334 1.00 50.00 O ATOM 1206 CB MET A 83 -0.560 -2.451 3.266 1.00 50.00 C ATOM 1207 CG MET A 83 -0.945 -2.705 1.807 1.00 50.00 C ATOM 1208 SD MET A 83 -0.993 -1.132 0.915 1.00 50.00 S ATOM 1209 CE MET A 83 -2.606 -0.578 1.520 1.00 50.00 C ATOM 0 H MET A 83 1.879 -3.339 1.805 1.00 50.00 H new ATOM 0 HA MET A 83 1.044 -3.045 4.626 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.366 -2.772 3.927 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.416 -1.384 3.434 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.225 -3.378 1.341 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.918 -3.194 1.756 1.00 50.00 H new ATOM 0 HE1 MET A 83 -2.842 0.394 1.088 1.00 50.00 H new ATOM 0 HE2 MET A 83 -3.370 -1.299 1.231 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.578 -0.495 2.606 1.00 50.00 H new ATOM 1219 N GLU A 84 0.446 -5.442 4.520 1.00 50.00 N ATOM 1220 CA GLU A 84 0.242 -6.905 4.434 1.00 50.00 C ATOM 1221 C GLU A 84 -1.185 -7.274 4.844 1.00 50.00 C ATOM 1222 O GLU A 84 -1.405 -7.804 5.915 1.00 50.00 O ATOM 1223 CB GLU A 84 1.253 -7.502 5.412 1.00 50.00 C ATOM 1224 CG GLU A 84 1.291 -6.669 6.696 1.00 50.00 C ATOM 1225 CD GLU A 84 1.884 -7.506 7.831 1.00 50.00 C ATOM 1226 OE1 GLU A 84 3.011 -7.951 7.685 1.00 50.00 O ATOM 1227 OE2 GLU A 84 1.202 -7.689 8.825 1.00 50.00 O ATOM 0 H GLU A 84 0.528 -5.072 5.467 1.00 50.00 H new ATOM 0 HA GLU A 84 0.382 -7.280 3.420 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.983 -8.532 5.644 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.242 -7.527 4.955 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.889 -5.771 6.542 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.285 -6.341 6.959 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.110 -6.984 3.971 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.535 -7.295 4.241 1.00 50.00 C ATOM 1236 C PRO A 85 -3.773 -8.803 4.145 1.00 50.00 C ATOM 1237 O PRO A 85 -2.916 -9.539 3.698 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.279 -6.558 3.132 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.284 -6.425 2.024 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.923 -6.346 2.664 1.00 50.00 C ATOM 0 HA PRO A 85 -3.860 -6.995 5.237 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.158 -7.115 2.809 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.626 -5.582 3.470 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.343 -7.278 1.347 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.484 -5.533 1.431 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.171 -6.866 2.070 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.590 -5.313 2.768 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.938 -9.211 4.563 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.302 -10.647 4.519 1.00 50.00 C ATOM 1250 C PRO A 86 -5.548 -11.083 3.073 1.00 50.00 C ATOM 1251 O PRO A 86 -6.179 -10.384 2.304 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.588 -10.716 5.336 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.171 -9.341 5.254 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.017 -8.382 5.112 1.00 50.00 C ATOM 0 HA PRO A 86 -4.523 -11.303 4.909 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.274 -11.460 4.931 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.385 -10.998 6.369 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.848 -9.259 4.403 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.753 -9.115 6.147 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.264 -7.555 4.447 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.738 -7.947 6.072 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.054 -12.229 2.695 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.263 -12.700 1.291 1.00 50.00 C ATOM 1264 C PHE A 87 -6.756 -12.685 0.951 1.00 50.00 C ATOM 1265 O PHE A 87 -7.507 -13.546 1.364 1.00 50.00 O ATOM 1266 CB PHE A 87 -4.714 -14.132 1.238 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.728 -14.741 2.619 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -5.932 -15.182 3.177 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -3.536 -14.853 3.344 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -5.945 -15.736 4.461 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.549 -15.408 4.628 1.00 50.00 C ATOM 1272 CZ PHE A 87 -4.754 -15.851 5.188 1.00 50.00 C ATOM 0 H PHE A 87 -4.517 -12.859 3.291 1.00 50.00 H new ATOM 0 HA PHE A 87 -4.758 -12.057 0.570 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -5.316 -14.736 0.559 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -3.698 -14.126 0.844 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -6.851 -15.095 2.617 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -2.607 -14.511 2.912 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -6.875 -16.076 4.892 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -2.629 -15.495 5.188 1.00 50.00 H new ATOM 0 HZ PHE A 87 -4.764 -16.281 6.179 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.191 -11.711 0.200 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.633 -11.637 -0.168 1.00 50.00 C ATOM 1284 C GLY A 88 -9.004 -10.186 -0.483 1.00 50.00 C ATOM 1285 O GLY A 88 -8.155 -9.318 -0.539 1.00 50.00 O ATOM 0 H GLY A 88 -6.609 -10.962 -0.175 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -8.832 -12.271 -1.032 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.248 -12.012 0.650 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.263 -9.916 -0.690 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.681 -8.518 -1.001 1.00 50.00 C ATOM 1291 C ASP A 89 -10.510 -7.628 0.233 1.00 50.00 C ATOM 1292 O ASP A 89 -10.696 -8.063 1.354 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.156 -8.620 -1.391 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.932 -9.323 -0.274 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.296 -9.826 0.636 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -14.149 -9.346 -0.351 1.00 50.00 O ATOM 0 H ASP A 89 -11.019 -10.600 -0.658 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.081 -8.076 -1.796 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.567 -7.625 -1.564 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.259 -9.174 -2.324 1.00 50.00 H new ATOM 1301 N SER A 90 -10.155 -6.388 0.038 1.00 50.00 N ATOM 1302 CA SER A 90 -9.970 -5.473 1.203 1.00 50.00 C ATOM 1303 C SER A 90 -10.457 -4.063 0.856 1.00 50.00 C ATOM 1304 O SER A 90 -10.251 -3.577 -0.239 1.00 50.00 O ATOM 1305 CB SER A 90 -8.465 -5.468 1.463 1.00 50.00 C ATOM 1306 OG SER A 90 -7.875 -4.364 0.788 1.00 50.00 O ATOM 0 H SER A 90 -9.985 -5.968 -0.876 1.00 50.00 H new ATOM 0 HA SER A 90 -10.537 -5.797 2.076 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.269 -5.401 2.533 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.021 -6.401 1.115 1.00 50.00 H new ATOM 0 HG SER A 90 -6.909 -4.357 0.954 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.093 -3.398 1.783 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.582 -2.020 1.509 1.00 50.00 C ATOM 1314 C TYR A 91 -10.576 -1.004 2.049 1.00 50.00 C ATOM 1315 O TYR A 91 -10.284 -0.975 3.228 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.910 -1.913 2.259 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.047 -1.911 1.267 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.050 -2.822 0.205 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.098 -0.997 1.410 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.104 -2.820 -0.715 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.153 -0.995 0.490 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.156 -1.905 -0.574 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.196 -1.902 -1.481 1.00 49.57 O ATOM 0 H TYR A 91 -11.294 -3.752 2.718 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.705 -1.822 0.444 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.018 -2.748 2.951 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.931 -1.001 2.855 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.239 -3.527 0.095 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.095 -0.294 2.230 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.107 -3.524 -1.534 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.965 -0.291 0.601 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.841 -1.206 -1.236 1.00 49.57 H new ATOM 1333 N ILE A 92 -10.035 -0.176 1.200 1.00 50.00 N ATOM 1334 CA ILE A 92 -9.041 0.825 1.680 1.00 50.00 C ATOM 1335 C ILE A 92 -9.587 2.246 1.504 1.00 50.00 C ATOM 1336 O ILE A 92 -10.087 2.602 0.457 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.809 0.611 0.801 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.663 1.491 1.307 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -8.140 0.991 -0.644 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -5.557 1.547 0.252 1.00 50.00 C ATOM 0 H ILE A 92 -10.236 -0.148 0.200 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.814 0.704 2.739 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.511 -0.437 0.843 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -7.029 2.496 1.519 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.269 1.091 2.241 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -7.261 0.838 -1.271 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -8.957 0.367 -1.006 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -8.438 2.039 -0.686 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -4.741 2.174 0.613 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -5.184 0.540 0.062 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -5.956 1.967 -0.671 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.494 3.063 2.518 1.00 50.00 N ATOM 1353 CA VAL A 93 -10.011 4.458 2.398 1.00 50.00 C ATOM 1354 C VAL A 93 -8.885 5.468 2.643 1.00 50.00 C ATOM 1355 O VAL A 93 -8.275 5.488 3.694 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.085 4.580 3.479 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.751 5.954 3.385 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.137 3.488 3.274 1.00 50.00 C ATOM 0 H VAL A 93 -9.084 2.827 3.422 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.408 4.663 1.404 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.627 4.466 4.462 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.517 6.041 4.156 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.002 6.732 3.529 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.210 6.069 2.403 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.904 3.573 4.044 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.594 3.603 2.291 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.663 2.509 3.341 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.608 6.308 1.682 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.525 7.315 1.861 1.00 50.00 C ATOM 1370 C VAL A 94 -8.127 8.716 2.003 1.00 50.00 C ATOM 1371 O VAL A 94 -8.480 9.351 1.029 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.684 7.221 0.589 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.508 8.195 0.679 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.154 5.793 0.436 1.00 50.00 C ATOM 0 H VAL A 94 -9.085 6.340 0.781 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.932 7.130 2.757 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.299 7.477 -0.274 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.909 8.127 -0.229 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.885 9.212 0.789 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.891 7.941 1.541 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.553 5.723 -0.471 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.539 5.539 1.299 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.992 5.099 0.371 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.244 9.204 3.208 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.824 10.563 3.405 1.00 50.00 C ATOM 1386 C GLY A 95 -8.285 11.168 4.701 1.00 50.00 C ATOM 1387 O GLY A 95 -7.803 10.470 5.571 1.00 50.00 O ATOM 0 H GLY A 95 -7.964 8.722 4.062 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.571 11.203 2.560 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.912 10.503 3.445 1.00 50.00 H new ATOM 1391 N MET A 96 -8.364 12.463 4.839 1.00 50.00 N ATOM 1392 CA MET A 96 -7.856 13.113 6.080 1.00 50.00 C ATOM 1393 C MET A 96 -9.009 13.768 6.846 1.00 50.00 C ATOM 1394 O MET A 96 -9.113 13.648 8.051 1.00 50.00 O ATOM 1395 CB MET A 96 -6.867 14.174 5.595 1.00 50.00 C ATOM 1396 CG MET A 96 -6.084 14.722 6.789 1.00 50.00 C ATOM 1397 SD MET A 96 -5.764 16.487 6.541 1.00 50.00 S ATOM 1398 CE MET A 96 -5.374 16.402 4.776 1.00 50.00 C ATOM 0 H MET A 96 -8.758 13.099 4.146 1.00 50.00 H new ATOM 0 HA MET A 96 -7.390 12.398 6.758 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.183 13.742 4.865 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.400 14.982 5.094 1.00 50.00 H new ATOM 0 HG2 MET A 96 -6.649 14.569 7.709 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.143 14.183 6.899 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.428 16.909 4.588 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.294 15.359 4.471 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.165 16.887 4.205 1.00 50.00 H new ATOM 1408 N GLY A 97 -9.875 14.460 6.157 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.017 15.121 6.848 1.00 50.00 C ATOM 1410 C GLY A 97 -12.334 14.501 6.381 1.00 50.00 C ATOM 1411 O GLY A 97 -12.604 13.340 6.617 1.00 50.00 O ATOM 0 H GLY A 97 -9.841 14.596 5.147 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.915 15.009 7.927 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.013 16.190 6.636 1.00 50.00 H new ATOM 1415 N ASP A 98 -13.159 15.268 5.722 1.00 50.00 N ATOM 1416 CA ASP A 98 -14.462 14.728 5.243 1.00 50.00 C ATOM 1417 C ASP A 98 -14.305 14.101 3.854 1.00 50.00 C ATOM 1418 O ASP A 98 -14.943 13.117 3.533 1.00 50.00 O ATOM 1419 CB ASP A 98 -15.391 15.940 5.184 1.00 50.00 C ATOM 1420 CG ASP A 98 -15.818 16.323 6.603 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -14.944 16.594 7.410 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -17.011 16.340 6.858 1.00 50.00 O ATOM 0 H ASP A 98 -12.986 16.247 5.494 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.849 13.946 5.896 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -14.883 16.778 4.706 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -16.268 15.711 4.578 1.00 50.00 H new ATOM 1427 N LYS A 99 -13.463 14.659 3.027 1.00 50.00 N ATOM 1428 CA LYS A 99 -13.274 14.091 1.665 1.00 50.00 C ATOM 1429 C LYS A 99 -12.351 12.872 1.723 1.00 50.00 C ATOM 1430 O LYS A 99 -11.193 12.973 2.076 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.629 15.214 0.850 1.00 50.00 C ATOM 1432 CG LYS A 99 -13.609 16.382 0.725 1.00 50.00 C ATOM 1433 CD LYS A 99 -14.576 16.115 -0.430 1.00 50.00 C ATOM 1434 CE LYS A 99 -13.839 16.281 -1.761 1.00 50.00 C ATOM 1435 NZ LYS A 99 -14.473 17.464 -2.406 1.00 50.00 N ATOM 0 H LYS A 99 -12.899 15.483 3.237 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.214 13.757 1.225 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -11.710 15.547 1.333 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.355 14.848 -0.139 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -14.163 16.507 1.655 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -13.065 17.310 0.551 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.984 15.107 -0.351 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -15.418 16.805 -0.380 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -12.772 16.441 -1.604 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -13.940 15.391 -2.382 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -14.021 17.642 -3.325 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -15.487 17.280 -2.548 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -14.355 18.297 -1.795 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.858 11.718 1.384 1.00 0.00 N ATOM 1450 CA GLN A 100 -12.012 10.491 1.424 1.00 0.00 C ATOM 1451 C GLN A 100 -12.308 9.601 0.210 1.00 0.00 C ATOM 1452 O GLN A 100 -13.398 9.594 -0.319 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.388 9.784 2.730 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.906 9.800 2.907 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.542 8.905 1.847 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -14.446 7.696 1.919 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -15.188 9.451 0.858 1.00 0.00 N ATOM 0 H GLN A 100 -13.821 11.572 1.081 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.947 10.722 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.025 8.756 2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.909 10.280 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.172 9.449 3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.284 10.818 2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.268 10.466 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.615 8.864 0.142 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.339 8.860 -0.242 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.562 7.975 -1.422 1.00 0.00 C ATOM 1468 C ILE A 101 -11.522 6.508 -0.988 1.00 0.00 C ATOM 1469 O ILE A 101 -10.475 5.967 -0.695 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.408 8.285 -2.376 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.552 9.715 -2.901 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.441 7.307 -3.552 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -9.864 10.684 -1.937 1.00 0.00 C ATOM 0 H ILE A 101 -10.399 8.827 0.153 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.531 8.144 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.461 8.184 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.108 9.796 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.606 9.972 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.618 7.528 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.341 6.287 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.388 7.408 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.966 11.703 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -10.328 10.610 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.807 10.431 -1.859 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.655 5.861 -0.941 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.678 4.432 -0.519 1.00 0.00 C ATOM 1487 C ASN A 102 -12.644 3.511 -1.741 1.00 0.00 C ATOM 1488 O ASN A 102 -13.408 3.667 -2.672 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.994 4.264 0.242 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.152 4.753 -0.628 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.449 4.169 -1.651 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.824 5.811 -0.263 1.00 0.00 N ATOM 0 H ASN A 102 -13.564 6.260 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.815 4.172 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.142 3.217 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.962 4.828 1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.598 6.147 -0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.575 6.302 0.596 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.763 2.548 -1.739 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.674 1.609 -2.893 1.00 0.00 C ATOM 1501 C HIS A 103 -12.044 0.194 -2.441 1.00 0.00 C ATOM 1502 O HIS A 103 -12.019 -0.120 -1.267 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.213 1.667 -3.340 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.097 2.537 -4.560 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -10.908 3.644 -4.756 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.272 2.479 -5.655 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -10.557 4.202 -5.929 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -9.564 3.530 -6.518 1.00 0.00 N ATOM 0 H HIS A 103 -11.099 2.371 -0.985 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.355 1.876 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.591 2.063 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.849 0.664 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.511 1.731 -5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.021 5.085 -6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.116 3.742 -7.409 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.390 -0.662 -3.362 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.765 -2.055 -2.981 1.00 0.00 C ATOM 1518 C HIS A 104 -11.854 -3.064 -3.685 1.00 0.00 C ATOM 1519 O HIS A 104 -12.173 -3.569 -4.744 1.00 0.00 O ATOM 1520 CB HIS A 104 -14.211 -2.218 -3.452 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.345 -1.685 -4.853 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.317 -2.511 -5.964 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.508 -0.410 -5.337 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.459 -1.733 -7.052 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -14.580 -0.443 -6.725 1.00 0.00 N ATOM 0 H HIS A 104 -12.430 -0.459 -4.361 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.661 -2.231 -1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.498 -3.269 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.885 -1.684 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.571 0.482 -4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -14.473 -2.105 -8.066 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -14.700 0.348 -7.358 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.726 -3.365 -3.103 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.797 -4.343 -3.736 1.00 0.00 C ATOM 1535 C TRP A 105 -10.507 -5.685 -3.941 1.00 0.00 C ATOM 1536 O TRP A 105 -10.541 -6.520 -3.060 1.00 0.00 O ATOM 1537 CB TRP A 105 -8.643 -4.490 -2.743 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.834 -5.698 -3.094 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.475 -6.670 -2.226 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.280 -6.077 -4.387 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.735 -7.623 -2.903 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.588 -7.303 -4.238 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -7.310 -5.483 -5.662 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -5.948 -7.917 -5.316 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -6.668 -6.099 -6.749 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -5.988 -7.313 -6.576 1.00 0.00 C ATOM 0 H TRP A 105 -10.407 -2.976 -2.216 1.00 0.00 H new ATOM 0 HA TRP A 105 -9.451 -4.014 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -8.015 -3.600 -2.765 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -9.031 -4.581 -1.729 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -7.725 -6.698 -1.176 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -6.346 -8.460 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -7.830 -4.547 -5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.426 -8.852 -5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -6.698 -5.635 -7.724 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -5.496 -7.781 -7.416 1.00 0.00 H new