USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 MET CE :methyl 165:sc= -0.158 (180deg=-0.68) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 56 TYR OH : rot 122:sc= 0.375 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -1.24 X(o=-0.87,f=-0.57) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -53:sc= 0.648 USER MOD Single : A 20 SER OG : rot -167:sc= 0.154 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 MET CE :methyl 149:sc= -7.61! (180deg=-11.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00733 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 38 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.51) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 50 GLN : amide:sc=-0.00403 K(o=-0.004,f=-0.84) USER MOD Single : A 52 TYR OH : rot 30:sc= -1.79! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.3) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 39:sc= 0.00106 USER MOD Single : A 82 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.5!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -160:sc= -0.038 USER MOD Single : A 92 LYS NZ :NH3+ -134:sc= -0.155 (180deg=-0.652) USER MOD Single : A 97 THR OG1 : rot 170:sc= -0.473 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.37) USER MOD Single : A 112 THR OG1 : rot 167:sc= 0.661 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0.094) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.412 21.329 1.617 1.00 0.00 N ATOM 187 CA GLN A 16 -4.115 20.820 0.446 1.00 0.00 C ATOM 188 C GLN A 16 -4.185 19.295 0.473 1.00 0.00 C ATOM 189 O GLN A 16 -3.726 18.661 1.422 1.00 0.00 O ATOM 190 CB GLN A 16 -3.421 21.286 -0.835 1.00 0.00 C ATOM 191 CG GLN A 16 -1.906 21.171 -0.782 1.00 0.00 C ATOM 192 CD GLN A 16 -1.235 21.731 -2.021 1.00 0.00 C ATOM 193 OE1 GLN A 16 -0.901 22.914 -2.079 1.00 0.00 O ATOM 194 NE2 GLN A 16 -1.033 20.881 -3.021 1.00 0.00 N ATOM 0 HA GLN A 16 -5.131 21.214 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.793 20.698 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.692 22.324 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.536 21.699 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.629 20.123 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.326 19.908 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.585 21.201 -3.880 1.00 0.00 H new ATOM 203 N ALA A 17 -4.763 18.716 -0.573 1.00 0.00 N ATOM 204 CA ALA A 17 -4.894 17.268 -0.670 1.00 0.00 C ATOM 205 C ALA A 17 -3.639 16.644 -1.272 1.00 0.00 C ATOM 206 O ALA A 17 -2.845 17.308 -1.941 1.00 0.00 O ATOM 207 CB ALA A 17 -6.116 16.900 -1.496 1.00 0.00 C ATOM 0 H ALA A 17 -5.149 19.228 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.020 16.872 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.199 15.815 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.010 17.306 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.016 17.315 -2.499 1.00 0.00 H new ATOM 213 N PRO A 18 -3.451 15.337 -1.032 1.00 0.00 N ATOM 214 CA PRO A 18 -2.295 14.595 -1.541 1.00 0.00 C ATOM 215 C PRO A 18 -2.347 14.409 -3.053 1.00 0.00 C ATOM 216 O PRO A 18 -3.395 14.087 -3.614 1.00 0.00 O ATOM 217 CB PRO A 18 -2.401 13.244 -0.833 1.00 0.00 C ATOM 218 CG PRO A 18 -3.849 13.095 -0.513 1.00 0.00 C ATOM 219 CD PRO A 18 -4.357 14.484 -0.243 1.00 0.00 C ATOM 0 HA PRO A 18 -1.358 15.119 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.052 12.434 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.792 13.222 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.387 12.637 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.993 12.451 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.394 14.601 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.316 14.728 0.819 1.00 0.00 H new ATOM 227 N SER A 19 -1.209 14.613 -3.710 1.00 0.00 N ATOM 228 CA SER A 19 -1.127 14.471 -5.159 1.00 0.00 C ATOM 229 C SER A 19 -0.022 13.493 -5.546 1.00 0.00 C ATOM 230 O SER A 19 0.693 13.702 -6.527 1.00 0.00 O ATOM 231 CB SER A 19 -0.871 15.830 -5.813 1.00 0.00 C ATOM 232 OG SER A 19 -0.919 15.734 -7.226 1.00 0.00 O ATOM 0 H SER A 19 -0.332 14.877 -3.262 1.00 0.00 H new ATOM 0 HA SER A 19 -2.079 14.078 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.615 16.548 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.104 16.208 -5.504 1.00 0.00 H new ATOM 0 HG SER A 19 -0.317 15.021 -7.526 1.00 0.00 H new ATOM 238 N SER A 20 0.111 12.423 -4.769 1.00 0.00 N ATOM 239 CA SER A 20 1.130 11.412 -5.028 1.00 0.00 C ATOM 240 C SER A 20 0.711 10.060 -4.461 1.00 0.00 C ATOM 241 O SER A 20 0.197 9.975 -3.345 1.00 0.00 O ATOM 242 CB SER A 20 2.469 11.840 -4.419 1.00 0.00 C ATOM 243 OG SER A 20 3.287 12.477 -5.385 1.00 0.00 O ATOM 0 H SER A 20 -0.474 12.234 -3.955 1.00 0.00 H new ATOM 0 HA SER A 20 1.243 11.314 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.292 12.517 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.986 10.968 -4.018 1.00 0.00 H new ATOM 0 HG SER A 20 4.202 12.552 -5.041 1.00 0.00 H new ATOM 249 N ALA A 21 0.934 9.005 -5.237 1.00 0.00 N ATOM 250 CA ALA A 21 0.581 7.656 -4.814 1.00 0.00 C ATOM 251 C ALA A 21 1.487 7.181 -3.683 1.00 0.00 C ATOM 252 O ALA A 21 2.615 7.647 -3.522 1.00 0.00 O ATOM 253 CB ALA A 21 0.657 6.695 -5.993 1.00 0.00 C ATOM 0 H ALA A 21 1.358 9.059 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.443 7.675 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.391 5.691 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.036 7.017 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.671 6.688 -6.392 1.00 0.00 H new ATOM 259 N PRO A 22 0.983 6.233 -2.878 1.00 0.00 N ATOM 260 CA PRO A 22 1.731 5.676 -1.748 1.00 0.00 C ATOM 261 C PRO A 22 2.903 4.809 -2.198 1.00 0.00 C ATOM 262 O PRO A 22 3.155 4.665 -3.394 1.00 0.00 O ATOM 263 CB PRO A 22 0.688 4.827 -1.017 1.00 0.00 C ATOM 264 CG PRO A 22 -0.307 4.466 -2.064 1.00 0.00 C ATOM 265 CD PRO A 22 -0.355 5.633 -3.011 1.00 0.00 C ATOM 0 HA PRO A 22 2.176 6.456 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.139 3.938 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.223 5.385 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.013 3.554 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.287 4.280 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.552 5.313 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.141 6.338 -2.741 1.00 0.00 H new ATOM 273 N ARG A 23 3.613 4.234 -1.233 1.00 0.00 N ATOM 274 CA ARG A 23 4.757 3.383 -1.531 1.00 0.00 C ATOM 275 C ARG A 23 4.770 2.151 -0.629 1.00 0.00 C ATOM 276 O ARG A 23 3.938 2.020 0.269 1.00 0.00 O ATOM 277 CB ARG A 23 6.061 4.165 -1.360 1.00 0.00 C ATOM 278 CG ARG A 23 6.022 5.553 -1.980 1.00 0.00 C ATOM 279 CD ARG A 23 7.412 6.022 -2.381 1.00 0.00 C ATOM 280 NE ARG A 23 7.867 7.147 -1.568 1.00 0.00 N ATOM 281 CZ ARG A 23 8.393 7.013 -0.356 1.00 0.00 C ATOM 282 NH1 ARG A 23 8.531 5.808 0.181 1.00 0.00 N ATOM 283 NH2 ARG A 23 8.783 8.084 0.323 1.00 0.00 N ATOM 0 H ARG A 23 3.416 4.342 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 23 4.671 3.054 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.284 4.257 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.877 3.598 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.373 5.544 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.589 6.258 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.116 5.196 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.407 6.313 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 23 7.776 8.087 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.233 4.982 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.935 5.708 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.679 9.013 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.187 7.979 1.254 1.00 0.00 H new ATOM 297 N ASP A 24 5.716 1.252 -0.875 1.00 0.00 N ATOM 298 CA ASP A 24 5.837 0.034 -0.085 1.00 0.00 C ATOM 299 C ASP A 24 4.521 -0.739 -0.075 1.00 0.00 C ATOM 300 O ASP A 24 4.221 -1.462 0.877 1.00 0.00 O ATOM 301 CB ASP A 24 6.257 0.367 1.346 1.00 0.00 C ATOM 302 CG ASP A 24 7.059 -0.747 1.989 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.221 -0.956 1.582 1.00 0.00 O ATOM 304 OD2 ASP A 24 6.523 -1.412 2.901 1.00 0.00 O ATOM 0 H ASP A 24 6.411 1.344 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 24 6.603 -0.592 -0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.849 1.282 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.368 0.564 1.946 1.00 0.00 H new ATOM 309 N VAL A 25 3.740 -0.581 -1.138 1.00 0.00 N ATOM 310 CA VAL A 25 2.456 -1.263 -1.251 1.00 0.00 C ATOM 311 C VAL A 25 2.636 -2.696 -1.744 1.00 0.00 C ATOM 312 O VAL A 25 2.647 -2.949 -2.949 1.00 0.00 O ATOM 313 CB VAL A 25 1.507 -0.519 -2.207 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.120 -1.145 -2.180 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.440 0.958 -1.848 1.00 0.00 C ATOM 0 H VAL A 25 3.974 0.013 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 25 2.017 -1.277 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 25 1.899 -0.607 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.536 -0.605 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.186 -2.188 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.284 -1.091 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.764 1.469 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.073 1.068 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.435 1.397 -1.925 1.00 0.00 H new ATOM 325 N GLN A 26 2.776 -3.625 -0.805 1.00 0.00 N ATOM 326 CA GLN A 26 2.956 -5.032 -1.145 1.00 0.00 C ATOM 327 C GLN A 26 1.897 -5.896 -0.467 1.00 0.00 C ATOM 328 O GLN A 26 1.535 -5.658 0.684 1.00 0.00 O ATOM 329 CB GLN A 26 4.354 -5.503 -0.739 1.00 0.00 C ATOM 330 CG GLN A 26 5.475 -4.770 -1.457 1.00 0.00 C ATOM 331 CD GLN A 26 6.837 -5.056 -0.857 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.015 -6.035 -0.130 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.809 -4.203 -1.158 1.00 0.00 N ATOM 0 H GLN A 26 2.768 -3.430 0.196 1.00 0.00 H new ATOM 0 HA GLN A 26 2.846 -5.136 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.475 -5.371 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.442 -6.571 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.478 -5.058 -2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.284 -3.697 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.618 -3.405 -1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.747 -4.346 -0.783 1.00 0.00 H new ATOM 342 N ALA A 27 1.407 -6.898 -1.190 1.00 0.00 N ATOM 343 CA ALA A 27 0.393 -7.798 -0.656 1.00 0.00 C ATOM 344 C ALA A 27 0.925 -9.223 -0.546 1.00 0.00 C ATOM 345 O ALA A 27 1.382 -9.802 -1.531 1.00 0.00 O ATOM 346 CB ALA A 27 -0.854 -7.765 -1.529 1.00 0.00 C ATOM 0 H ALA A 27 1.696 -7.106 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 27 0.132 -7.457 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.603 -8.442 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.255 -6.752 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.598 -8.078 -2.541 1.00 0.00 H new ATOM 352 N ARG A 28 0.864 -9.782 0.659 1.00 0.00 N ATOM 353 CA ARG A 28 1.341 -11.137 0.896 1.00 0.00 C ATOM 354 C ARG A 28 0.395 -11.892 1.825 1.00 0.00 C ATOM 355 O ARG A 28 0.121 -11.450 2.940 1.00 0.00 O ATOM 356 CB ARG A 28 2.748 -11.107 1.497 1.00 0.00 C ATOM 357 CG ARG A 28 2.880 -10.174 2.689 1.00 0.00 C ATOM 358 CD ARG A 28 4.333 -10.010 3.110 1.00 0.00 C ATOM 359 NE ARG A 28 4.918 -11.268 3.564 1.00 0.00 N ATOM 360 CZ ARG A 28 6.139 -11.370 4.075 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.903 -10.292 4.195 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.601 -12.550 4.466 1.00 0.00 N ATOM 0 H ARG A 28 0.489 -9.316 1.485 1.00 0.00 H new ATOM 0 HA ARG A 28 1.373 -11.657 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.025 -12.116 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.457 -10.802 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.461 -9.200 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.300 -10.565 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.912 -9.623 2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.397 -9.271 3.909 1.00 0.00 H new ATOM 0 HE ARG A 28 4.357 -12.116 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.553 -9.382 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.841 -10.373 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.018 -13.382 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.539 -12.626 4.858 1.00 0.00 H new ATOM 376 N MET A 29 -0.099 -13.034 1.359 1.00 0.00 N ATOM 377 CA MET A 29 -1.013 -13.850 2.148 1.00 0.00 C ATOM 378 C MET A 29 -0.250 -14.707 3.153 1.00 0.00 C ATOM 379 O MET A 29 0.942 -14.969 2.981 1.00 0.00 O ATOM 380 CB MET A 29 -1.853 -14.744 1.233 1.00 0.00 C ATOM 381 CG MET A 29 -1.023 -15.677 0.366 1.00 0.00 C ATOM 382 SD MET A 29 -1.627 -17.375 0.396 1.00 0.00 S ATOM 383 CE MET A 29 -3.379 -17.116 0.128 1.00 0.00 C ATOM 0 H MET A 29 0.119 -13.415 0.438 1.00 0.00 H new ATOM 0 HA MET A 29 -1.674 -13.180 2.697 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.533 -15.338 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.469 -14.115 0.590 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.028 -15.312 -0.661 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.012 -15.658 0.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.795 -17.969 -0.409 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.883 -17.012 1.089 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.527 -16.210 -0.460 1.00 0.00 H new ATOM 393 N LEU A 30 -0.941 -15.138 4.202 1.00 0.00 N ATOM 394 CA LEU A 30 -0.326 -15.966 5.234 1.00 0.00 C ATOM 395 C LEU A 30 -1.100 -17.267 5.422 1.00 0.00 C ATOM 396 O LEU A 30 -0.569 -18.247 5.943 1.00 0.00 O ATOM 397 CB LEU A 30 -0.263 -15.201 6.558 1.00 0.00 C ATOM 398 CG LEU A 30 0.268 -13.769 6.479 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.395 -12.895 7.534 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.780 -13.751 6.643 1.00 0.00 C ATOM 0 H LEU A 30 -1.927 -14.928 4.361 1.00 0.00 H new ATOM 0 HA LEU A 30 0.687 -16.211 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.265 -15.173 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.364 -15.763 7.250 1.00 0.00 H new ATOM 0 HG LEU A 30 0.024 -13.365 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.005 -11.880 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.473 -12.882 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.183 -13.297 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.140 -12.724 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.046 -14.174 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.239 -14.342 5.851 1.00 0.00 H new ATOM 412 N SER A 31 -2.358 -17.268 4.995 1.00 0.00 N ATOM 413 CA SER A 31 -3.207 -18.447 5.117 1.00 0.00 C ATOM 414 C SER A 31 -3.776 -18.850 3.761 1.00 0.00 C ATOM 415 O SER A 31 -3.308 -18.396 2.718 1.00 0.00 O ATOM 416 CB SER A 31 -4.347 -18.181 6.103 1.00 0.00 C ATOM 417 OG SER A 31 -4.714 -19.365 6.790 1.00 0.00 O ATOM 0 H SER A 31 -2.813 -16.465 4.561 1.00 0.00 H new ATOM 0 HA SER A 31 -2.595 -19.267 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.041 -17.420 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.210 -17.785 5.568 1.00 0.00 H new ATOM 0 HG SER A 31 -5.443 -19.168 7.415 1.00 0.00 H new ATOM 423 N SER A 32 -4.792 -19.708 3.783 1.00 0.00 N ATOM 424 CA SER A 32 -5.423 -20.178 2.557 1.00 0.00 C ATOM 425 C SER A 32 -6.672 -19.360 2.242 1.00 0.00 C ATOM 426 O SER A 32 -7.348 -19.596 1.239 1.00 0.00 O ATOM 427 CB SER A 32 -5.786 -21.659 2.678 1.00 0.00 C ATOM 428 OG SER A 32 -6.338 -21.945 3.951 1.00 0.00 O ATOM 0 H SER A 32 -5.195 -20.091 4.638 1.00 0.00 H new ATOM 0 HA SER A 32 -4.711 -20.053 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.501 -21.927 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.897 -22.269 2.518 1.00 0.00 H new ATOM 0 HG SER A 32 -6.563 -22.897 4.003 1.00 0.00 H new ATOM 434 N THR A 33 -6.974 -18.396 3.106 1.00 0.00 N ATOM 435 CA THR A 33 -8.143 -17.544 2.923 1.00 0.00 C ATOM 436 C THR A 33 -7.974 -16.216 3.652 1.00 0.00 C ATOM 437 O THR A 33 -8.950 -15.606 4.087 1.00 0.00 O ATOM 438 CB THR A 33 -9.425 -18.233 3.425 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.156 -18.946 4.638 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.970 -19.192 2.378 1.00 0.00 C ATOM 0 H THR A 33 -6.425 -18.186 3.940 1.00 0.00 H new ATOM 0 HA THR A 33 -8.235 -17.359 1.853 1.00 0.00 H new ATOM 0 HB THR A 33 -10.173 -17.464 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.977 -19.380 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.876 -19.667 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.202 -18.642 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.224 -19.956 2.161 1.00 0.00 H new ATOM 448 N THR A 34 -6.727 -15.771 3.782 1.00 0.00 N ATOM 449 CA THR A 34 -6.430 -14.516 4.458 1.00 0.00 C ATOM 450 C THR A 34 -5.228 -13.822 3.827 1.00 0.00 C ATOM 451 O THR A 34 -4.255 -14.473 3.444 1.00 0.00 O ATOM 452 CB THR A 34 -6.152 -14.736 5.957 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.717 -15.983 6.381 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.734 -13.603 6.788 1.00 0.00 C ATOM 0 H THR A 34 -5.907 -16.263 3.427 1.00 0.00 H new ATOM 0 HA THR A 34 -7.311 -13.883 4.349 1.00 0.00 H new ATOM 0 HB THR A 34 -5.072 -14.756 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.535 -16.117 7.335 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.525 -13.781 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.283 -12.659 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.812 -13.556 6.635 1.00 0.00 H new ATOM 462 N ILE A 35 -5.300 -12.500 3.723 1.00 0.00 N ATOM 463 CA ILE A 35 -4.217 -11.719 3.141 1.00 0.00 C ATOM 464 C ILE A 35 -3.920 -10.480 3.979 1.00 0.00 C ATOM 465 O ILE A 35 -4.791 -9.973 4.687 1.00 0.00 O ATOM 466 CB ILE A 35 -4.547 -11.285 1.702 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.777 -10.376 1.689 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.773 -12.502 0.819 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.962 -9.626 0.389 1.00 0.00 C ATOM 0 H ILE A 35 -6.098 -11.947 4.035 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.337 -12.362 3.125 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.700 -10.725 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.665 -10.978 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.696 -9.658 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.005 -12.177 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.872 -13.115 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.604 -13.087 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.853 -9.002 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.091 -8.997 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.075 -10.338 -0.429 1.00 0.00 H new ATOM 481 N LEU A 36 -2.686 -9.995 3.892 1.00 0.00 N ATOM 482 CA LEU A 36 -2.274 -8.813 4.641 1.00 0.00 C ATOM 483 C LEU A 36 -1.713 -7.745 3.707 1.00 0.00 C ATOM 484 O LEU A 36 -0.776 -8.000 2.948 1.00 0.00 O ATOM 485 CB LEU A 36 -1.229 -9.190 5.692 1.00 0.00 C ATOM 486 CG LEU A 36 -0.383 -8.038 6.239 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.272 -6.963 6.844 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.613 -8.553 7.269 1.00 0.00 C ATOM 0 H LEU A 36 -1.954 -10.402 3.310 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.152 -8.405 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.739 -9.669 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.559 -9.933 5.260 1.00 0.00 H new ATOM 0 HG LEU A 36 0.174 -7.596 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.653 -6.152 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.945 -6.575 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.856 -7.390 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.207 -7.721 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.075 -9.020 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.271 -9.286 6.803 1.00 0.00 H new ATOM 500 N VAL A 37 -2.287 -6.549 3.769 1.00 0.00 N ATOM 501 CA VAL A 37 -1.841 -5.441 2.931 1.00 0.00 C ATOM 502 C VAL A 37 -1.135 -4.375 3.761 1.00 0.00 C ATOM 503 O VAL A 37 -1.729 -3.777 4.656 1.00 0.00 O ATOM 504 CB VAL A 37 -3.020 -4.796 2.181 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.520 -3.738 1.208 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.838 -5.855 1.458 1.00 0.00 C ATOM 0 H VAL A 37 -3.063 -6.321 4.391 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.141 -5.854 2.205 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.667 -4.308 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.368 -3.293 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.984 -2.963 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.849 -4.199 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.667 -5.379 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.205 -6.376 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.229 -6.570 2.182 1.00 0.00 H new ATOM 516 N GLN A 38 0.138 -4.143 3.456 1.00 0.00 N ATOM 517 CA GLN A 38 0.926 -3.148 4.174 1.00 0.00 C ATOM 518 C GLN A 38 1.528 -2.131 3.210 1.00 0.00 C ATOM 519 O GLN A 38 2.070 -2.495 2.167 1.00 0.00 O ATOM 520 CB GLN A 38 2.038 -3.828 4.975 1.00 0.00 C ATOM 521 CG GLN A 38 2.945 -4.709 4.131 1.00 0.00 C ATOM 522 CD GLN A 38 2.758 -6.185 4.418 1.00 0.00 C ATOM 523 OE1 GLN A 38 2.547 -6.986 3.507 1.00 0.00 O ATOM 524 NE2 GLN A 38 2.836 -6.555 5.691 1.00 0.00 N ATOM 0 H GLN A 38 0.645 -4.630 2.717 1.00 0.00 H new ATOM 0 HA GLN A 38 0.262 -2.623 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.641 -3.063 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.589 -4.433 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.748 -4.520 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.984 -4.436 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.012 -5.858 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.720 -7.536 5.945 1.00 0.00 H new ATOM 533 N TRP A 39 1.429 -0.856 3.566 1.00 0.00 N ATOM 534 CA TRP A 39 1.963 0.214 2.731 1.00 0.00 C ATOM 535 C TRP A 39 2.560 1.326 3.587 1.00 0.00 C ATOM 536 O TRP A 39 2.382 1.349 4.806 1.00 0.00 O ATOM 537 CB TRP A 39 0.866 0.782 1.829 1.00 0.00 C ATOM 538 CG TRP A 39 -0.251 1.431 2.589 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.350 2.749 2.932 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.425 0.791 3.100 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.516 2.966 3.626 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.194 1.781 3.742 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.902 -0.522 3.076 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.412 1.498 4.354 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -3.112 -0.802 3.685 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.855 0.204 4.316 1.00 0.00 C ATOM 0 H TRP A 39 0.984 -0.537 4.427 1.00 0.00 H new ATOM 0 HA TRP A 39 2.754 -0.205 2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.306 1.512 1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.459 -0.021 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.380 3.508 2.693 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.827 3.865 3.995 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.336 -1.304 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.986 2.272 4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.490 -1.813 3.674 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.797 -0.047 4.782 1.00 0.00 H new ATOM 557 N LYS A 40 3.268 2.247 2.944 1.00 0.00 N ATOM 558 CA LYS A 40 3.891 3.364 3.646 1.00 0.00 C ATOM 559 C LYS A 40 3.287 4.692 3.200 1.00 0.00 C ATOM 560 O LYS A 40 2.772 4.807 2.088 1.00 0.00 O ATOM 561 CB LYS A 40 5.401 3.369 3.399 1.00 0.00 C ATOM 562 CG LYS A 40 6.204 2.730 4.519 1.00 0.00 C ATOM 563 CD LYS A 40 7.614 3.291 4.585 1.00 0.00 C ATOM 564 CE LYS A 40 8.301 2.919 5.889 1.00 0.00 C ATOM 565 NZ LYS A 40 8.803 1.516 5.872 1.00 0.00 N ATOM 0 H LYS A 40 3.425 2.243 1.936 1.00 0.00 H new ATOM 0 HA LYS A 40 3.704 3.241 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.610 2.842 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.735 4.398 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.700 2.898 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.247 1.652 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.197 2.913 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.580 4.376 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.133 3.600 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.602 3.045 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.265 1.301 6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.006 0.864 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.489 1.402 5.099 1.00 0.00 H new ATOM 579 N GLU A 41 3.354 5.691 4.075 1.00 0.00 N ATOM 580 CA GLU A 41 2.815 7.011 3.768 1.00 0.00 C ATOM 581 C GLU A 41 3.390 7.544 2.461 1.00 0.00 C ATOM 582 O GLU A 41 4.433 7.095 1.983 1.00 0.00 O ATOM 583 CB GLU A 41 3.117 7.986 4.907 1.00 0.00 C ATOM 584 CG GLU A 41 1.954 8.185 5.864 1.00 0.00 C ATOM 585 CD GLU A 41 2.381 8.794 7.184 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.564 8.641 7.554 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.532 9.425 7.848 1.00 0.00 O ATOM 0 H GLU A 41 3.775 5.612 5.000 1.00 0.00 H new ATOM 0 HA GLU A 41 1.735 6.917 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.978 7.622 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.397 8.951 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.209 8.829 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.473 7.225 6.050 1.00 0.00 H new ATOM 594 N PRO A 42 2.695 8.526 1.865 1.00 0.00 N ATOM 595 CA PRO A 42 3.119 9.141 0.604 1.00 0.00 C ATOM 596 C PRO A 42 4.372 9.995 0.768 1.00 0.00 C ATOM 597 O PRO A 42 4.836 10.225 1.884 1.00 0.00 O ATOM 598 CB PRO A 42 1.923 10.016 0.220 1.00 0.00 C ATOM 599 CG PRO A 42 1.243 10.320 1.510 1.00 0.00 C ATOM 600 CD PRO A 42 1.445 9.108 2.378 1.00 0.00 C ATOM 0 HA PRO A 42 3.380 8.395 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.245 10.928 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.255 9.494 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.668 11.209 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.182 10.517 1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.530 9.377 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.612 8.410 2.293 1.00 0.00 H new ATOM 608 N GLU A 43 4.915 10.462 -0.353 1.00 0.00 N ATOM 609 CA GLU A 43 6.115 11.290 -0.332 1.00 0.00 C ATOM 610 C GLU A 43 5.754 12.772 -0.393 1.00 0.00 C ATOM 611 O GLU A 43 6.516 13.625 0.063 1.00 0.00 O ATOM 612 CB GLU A 43 7.032 10.928 -1.502 1.00 0.00 C ATOM 613 CG GLU A 43 6.328 10.929 -2.849 1.00 0.00 C ATOM 614 CD GLU A 43 6.962 11.888 -3.837 1.00 0.00 C ATOM 615 OE1 GLU A 43 8.168 11.733 -4.126 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.253 12.795 -4.322 1.00 0.00 O ATOM 0 H GLU A 43 4.543 10.281 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 43 6.641 11.100 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.862 11.634 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.460 9.941 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.345 9.921 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.281 11.198 -2.708 1.00 0.00 H new ATOM 623 N GLU A 44 4.590 13.069 -0.961 1.00 0.00 N ATOM 624 CA GLU A 44 4.130 14.448 -1.083 1.00 0.00 C ATOM 625 C GLU A 44 2.693 14.588 -0.587 1.00 0.00 C ATOM 626 O GLU A 44 1.754 14.746 -1.365 1.00 0.00 O ATOM 627 CB GLU A 44 4.226 14.913 -2.538 1.00 0.00 C ATOM 628 CG GLU A 44 5.594 15.457 -2.913 1.00 0.00 C ATOM 629 CD GLU A 44 5.682 15.856 -4.374 1.00 0.00 C ATOM 630 OE1 GLU A 44 4.739 15.546 -5.132 1.00 0.00 O ATOM 631 OE2 GLU A 44 6.695 16.478 -4.758 1.00 0.00 O ATOM 0 H GLU A 44 3.948 12.374 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 44 4.772 15.075 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.984 14.077 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.476 15.684 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.820 16.322 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.352 14.703 -2.700 1.00 0.00 H new ATOM 638 N PRO A 45 2.519 14.528 0.742 1.00 0.00 N ATOM 639 CA PRO A 45 1.201 14.645 1.373 1.00 0.00 C ATOM 640 C PRO A 45 0.558 16.004 1.120 1.00 0.00 C ATOM 641 O PRO A 45 -0.569 16.088 0.634 1.00 0.00 O ATOM 642 CB PRO A 45 1.504 14.466 2.863 1.00 0.00 C ATOM 643 CG PRO A 45 2.956 14.772 2.993 1.00 0.00 C ATOM 644 CD PRO A 45 3.595 14.340 1.729 1.00 0.00 C ATOM 0 HA PRO A 45 0.493 13.917 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.901 15.139 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.282 13.451 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.114 15.837 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.388 14.246 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.472 14.943 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.925 13.302 1.776 1.00 0.00 H new ATOM 652 N ASN A 46 1.281 17.068 1.455 1.00 0.00 N ATOM 653 CA ASN A 46 0.779 18.424 1.265 1.00 0.00 C ATOM 654 C ASN A 46 -0.458 18.671 2.121 1.00 0.00 C ATOM 655 O ASN A 46 -1.298 19.509 1.790 1.00 0.00 O ATOM 656 CB ASN A 46 0.451 18.666 -0.210 1.00 0.00 C ATOM 657 CG ASN A 46 1.418 17.961 -1.142 1.00 0.00 C ATOM 658 OD1 ASN A 46 2.629 17.965 -0.917 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.886 17.351 -2.194 1.00 0.00 N ATOM 0 H ASN A 46 2.216 17.017 1.859 1.00 0.00 H new ATOM 0 HA ASN A 46 1.558 19.121 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.563 18.322 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.471 19.737 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.486 16.859 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.123 17.374 -2.340 1.00 0.00 H new ATOM 666 N GLY A 47 -0.566 17.937 3.223 1.00 0.00 N ATOM 667 CA GLY A 47 -1.704 18.090 4.110 1.00 0.00 C ATOM 668 C GLY A 47 -1.692 17.090 5.249 1.00 0.00 C ATOM 669 O GLY A 47 -0.777 16.274 5.356 1.00 0.00 O ATOM 0 H GLY A 47 0.115 17.238 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.709 19.101 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.624 17.973 3.538 1.00 0.00 H new ATOM 673 N GLN A 48 -2.709 17.155 6.101 1.00 0.00 N ATOM 674 CA GLN A 48 -2.810 16.248 7.239 1.00 0.00 C ATOM 675 C GLN A 48 -3.544 14.969 6.854 1.00 0.00 C ATOM 676 O GLN A 48 -4.706 15.008 6.446 1.00 0.00 O ATOM 677 CB GLN A 48 -3.530 16.933 8.402 1.00 0.00 C ATOM 678 CG GLN A 48 -2.648 17.155 9.620 1.00 0.00 C ATOM 679 CD GLN A 48 -3.239 18.151 10.596 1.00 0.00 C ATOM 680 OE1 GLN A 48 -4.443 18.145 10.855 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.393 19.017 11.144 1.00 0.00 N ATOM 0 H GLN A 48 -3.474 17.825 6.026 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.799 15.984 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.916 17.895 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.390 16.329 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.491 16.204 10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.669 17.508 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.403 18.986 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.734 19.712 11.808 1.00 0.00 H new ATOM 690 N ILE A 49 -2.860 13.837 6.983 1.00 0.00 N ATOM 691 CA ILE A 49 -3.448 12.547 6.648 1.00 0.00 C ATOM 692 C ILE A 49 -4.464 12.115 7.699 1.00 0.00 C ATOM 693 O ILE A 49 -4.195 12.180 8.899 1.00 0.00 O ATOM 694 CB ILE A 49 -2.371 11.454 6.513 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.347 11.845 5.446 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.012 10.116 6.176 1.00 0.00 C ATOM 697 CD1 ILE A 49 -1.933 11.942 4.053 1.00 0.00 C ATOM 0 H ILE A 49 -1.898 13.788 7.317 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.951 12.671 5.689 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.853 11.356 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.904 12.805 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.540 11.112 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.238 9.354 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.705 9.835 6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.553 10.199 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.151 12.223 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.351 10.977 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.720 12.696 4.041 1.00 0.00 H new ATOM 709 N GLN A 50 -5.632 11.676 7.242 1.00 0.00 N ATOM 710 CA GLN A 50 -6.688 11.233 8.145 1.00 0.00 C ATOM 711 C GLN A 50 -6.925 9.732 8.012 1.00 0.00 C ATOM 712 O GLN A 50 -7.398 9.083 8.943 1.00 0.00 O ATOM 713 CB GLN A 50 -7.985 11.994 7.858 1.00 0.00 C ATOM 714 CG GLN A 50 -7.868 13.495 8.062 1.00 0.00 C ATOM 715 CD GLN A 50 -7.736 13.877 9.522 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.282 13.209 10.403 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.010 14.956 9.789 1.00 0.00 N ATOM 0 H GLN A 50 -5.871 11.617 6.252 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.370 11.442 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.291 11.798 6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.773 11.608 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.002 13.866 7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.746 13.985 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.576 15.479 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.886 15.262 10.754 1.00 0.00 H new ATOM 726 N GLY A 51 -6.591 9.186 6.846 1.00 0.00 N ATOM 727 CA GLY A 51 -6.775 7.766 6.612 1.00 0.00 C ATOM 728 C GLY A 51 -6.375 7.353 5.209 1.00 0.00 C ATOM 729 O GLY A 51 -5.690 8.097 4.508 1.00 0.00 O ATOM 0 H GLY A 51 -6.196 9.702 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.186 7.202 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.820 7.506 6.780 1.00 0.00 H new ATOM 733 N TYR A 52 -6.801 6.162 4.802 1.00 0.00 N ATOM 734 CA TYR A 52 -6.478 5.650 3.475 1.00 0.00 C ATOM 735 C TYR A 52 -7.600 4.761 2.948 1.00 0.00 C ATOM 736 O TYR A 52 -8.546 4.442 3.669 1.00 0.00 O ATOM 737 CB TYR A 52 -5.166 4.863 3.514 1.00 0.00 C ATOM 738 CG TYR A 52 -4.029 5.617 4.167 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.807 5.529 5.536 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.177 6.415 3.415 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.770 6.215 6.136 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.135 7.104 4.007 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.937 7.001 5.368 1.00 0.00 C ATOM 744 OH TYR A 52 -0.901 7.686 5.961 1.00 0.00 O ATOM 0 H TYR A 52 -7.370 5.534 5.370 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.364 6.500 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.328 3.929 4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.879 4.599 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.457 4.914 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.331 6.499 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.612 6.136 7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.480 7.719 3.408 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.588 7.190 6.746 1.00 0.00 H new ATOM 754 N ARG A 53 -7.488 4.363 1.684 1.00 0.00 N ATOM 755 CA ARG A 53 -8.492 3.513 1.059 1.00 0.00 C ATOM 756 C ARG A 53 -7.837 2.340 0.334 1.00 0.00 C ATOM 757 O ARG A 53 -6.909 2.524 -0.453 1.00 0.00 O ATOM 758 CB ARG A 53 -9.339 4.324 0.076 1.00 0.00 C ATOM 759 CG ARG A 53 -10.222 5.364 0.747 1.00 0.00 C ATOM 760 CD ARG A 53 -10.671 6.431 -0.238 1.00 0.00 C ATOM 761 NE ARG A 53 -12.113 6.656 -0.181 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.749 7.546 -0.934 1.00 0.00 C ATOM 763 NH1 ARG A 53 -12.074 8.293 -1.797 1.00 0.00 N ATOM 764 NH2 ARG A 53 -14.064 7.691 -0.825 1.00 0.00 N ATOM 0 H ARG A 53 -6.711 4.617 1.074 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.137 3.119 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.679 4.823 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.967 3.642 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.095 4.877 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.677 5.831 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.150 7.364 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.390 6.133 -1.248 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.662 6.099 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.063 8.185 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.565 8.976 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.587 7.119 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.551 8.375 -1.404 1.00 0.00 H new ATOM 778 N VAL A 54 -8.326 1.136 0.606 1.00 0.00 N ATOM 779 CA VAL A 54 -7.789 -0.068 -0.019 1.00 0.00 C ATOM 780 C VAL A 54 -8.836 -0.747 -0.896 1.00 0.00 C ATOM 781 O VAL A 54 -9.917 -1.103 -0.426 1.00 0.00 O ATOM 782 CB VAL A 54 -7.287 -1.073 1.035 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.682 -2.295 0.362 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.282 -0.411 1.965 1.00 0.00 C ATOM 0 H VAL A 54 -9.094 0.967 1.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.949 0.246 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.137 -1.402 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.333 -2.994 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.436 -2.780 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.842 -1.988 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.938 -1.135 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.432 -0.052 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.755 0.429 2.474 1.00 0.00 H new ATOM 794 N TYR A 55 -8.509 -0.921 -2.171 1.00 0.00 N ATOM 795 CA TYR A 55 -9.421 -1.557 -3.114 1.00 0.00 C ATOM 796 C TYR A 55 -8.985 -2.986 -3.416 1.00 0.00 C ATOM 797 O TYR A 55 -7.887 -3.219 -3.921 1.00 0.00 O ATOM 798 CB TYR A 55 -9.490 -0.748 -4.411 1.00 0.00 C ATOM 799 CG TYR A 55 -9.752 0.726 -4.193 1.00 0.00 C ATOM 800 CD1 TYR A 55 -8.717 1.595 -3.875 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.035 1.247 -4.304 1.00 0.00 C ATOM 802 CE1 TYR A 55 -8.951 2.942 -3.675 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.279 2.593 -4.107 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.234 3.435 -3.791 1.00 0.00 C ATOM 805 OH TYR A 55 -10.473 4.776 -3.594 1.00 0.00 O ATOM 0 H TYR A 55 -7.619 -0.631 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.411 -1.588 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.551 -0.865 -4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.277 -1.158 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.712 1.212 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.856 0.589 -4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.134 3.605 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.282 2.983 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.428 4.959 -3.714 1.00 0.00 H new ATOM 815 N TYR A 56 -9.855 -3.941 -3.103 1.00 0.00 N ATOM 816 CA TYR A 56 -9.562 -5.350 -3.338 1.00 0.00 C ATOM 817 C TYR A 56 -10.793 -6.084 -3.856 1.00 0.00 C ATOM 818 O TYR A 56 -11.882 -5.972 -3.291 1.00 0.00 O ATOM 819 CB TYR A 56 -9.064 -6.010 -2.052 1.00 0.00 C ATOM 820 CG TYR A 56 -10.135 -6.162 -0.995 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.490 -5.095 -0.180 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.791 -7.373 -0.813 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.468 -5.230 0.787 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.772 -7.516 0.150 1.00 0.00 C ATOM 825 CZ TYR A 56 -12.106 -6.442 0.947 1.00 0.00 C ATOM 826 OH TYR A 56 -13.081 -6.581 1.908 1.00 0.00 O ATOM 0 H TYR A 56 -10.769 -3.764 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.781 -5.411 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.660 -6.993 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.244 -5.419 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.994 -4.144 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.530 -8.217 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.731 -4.391 1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.274 -8.464 0.277 1.00 0.00 H new ATOM 0 HH TYR A 56 -13.918 -6.867 1.486 1.00 0.00 H new ATOM 836 N THR A 57 -10.615 -6.837 -4.938 1.00 0.00 N ATOM 837 CA THR A 57 -11.711 -7.590 -5.535 1.00 0.00 C ATOM 838 C THR A 57 -11.186 -8.708 -6.429 1.00 0.00 C ATOM 839 O THR A 57 -10.115 -8.590 -7.022 1.00 0.00 O ATOM 840 CB THR A 57 -12.635 -6.676 -6.362 1.00 0.00 C ATOM 841 OG1 THR A 57 -13.822 -7.387 -6.734 1.00 0.00 O ATOM 842 CG2 THR A 57 -11.925 -6.178 -7.611 1.00 0.00 C ATOM 0 H THR A 57 -9.721 -6.941 -5.419 1.00 0.00 H new ATOM 0 HA THR A 57 -12.282 -8.023 -4.714 1.00 0.00 H new ATOM 0 HB THR A 57 -12.904 -5.816 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.405 -6.799 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.597 -5.535 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.038 -5.613 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.631 -7.029 -8.226 1.00 0.00 H new ATOM 850 N MET A 58 -11.949 -9.792 -6.520 1.00 0.00 N ATOM 851 CA MET A 58 -11.561 -10.931 -7.345 1.00 0.00 C ATOM 852 C MET A 58 -11.700 -10.601 -8.827 1.00 0.00 C ATOM 853 O MET A 58 -11.033 -11.202 -9.671 1.00 0.00 O ATOM 854 CB MET A 58 -12.418 -12.152 -7.000 1.00 0.00 C ATOM 855 CG MET A 58 -13.913 -11.885 -7.065 1.00 0.00 C ATOM 856 SD MET A 58 -14.893 -13.394 -6.970 1.00 0.00 S ATOM 857 CE MET A 58 -14.068 -14.250 -5.629 1.00 0.00 C ATOM 0 H MET A 58 -12.838 -9.906 -6.034 1.00 0.00 H new ATOM 0 HA MET A 58 -10.515 -11.159 -7.138 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.172 -12.963 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.162 -12.493 -5.997 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.195 -11.221 -6.248 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.145 -11.364 -7.994 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.701 -15.062 -5.272 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.122 -14.657 -5.985 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.879 -13.552 -4.814 1.00 0.00 H new ATOM 867 N ASP A 59 -12.569 -9.644 -9.138 1.00 0.00 N ATOM 868 CA ASP A 59 -12.793 -9.235 -10.519 1.00 0.00 C ATOM 869 C ASP A 59 -12.299 -7.810 -10.750 1.00 0.00 C ATOM 870 O ASP A 59 -13.080 -6.862 -10.825 1.00 0.00 O ATOM 871 CB ASP A 59 -14.278 -9.336 -10.868 1.00 0.00 C ATOM 872 CG ASP A 59 -14.774 -10.770 -10.879 1.00 0.00 C ATOM 873 OD1 ASP A 59 -14.065 -11.638 -11.429 1.00 0.00 O ATOM 874 OD2 ASP A 59 -15.871 -11.023 -10.338 1.00 0.00 O ATOM 0 H ASP A 59 -13.129 -9.138 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.229 -9.906 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.858 -8.760 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.450 -8.888 -11.847 1.00 0.00 H new ATOM 879 N PRO A 60 -10.972 -7.654 -10.864 1.00 0.00 N ATOM 880 CA PRO A 60 -10.344 -6.348 -11.086 1.00 0.00 C ATOM 881 C PRO A 60 -10.628 -5.800 -12.481 1.00 0.00 C ATOM 882 O PRO A 60 -10.311 -4.649 -12.785 1.00 0.00 O ATOM 883 CB PRO A 60 -8.851 -6.638 -10.919 1.00 0.00 C ATOM 884 CG PRO A 60 -8.708 -8.086 -11.242 1.00 0.00 C ATOM 885 CD PRO A 60 -9.981 -8.740 -10.783 1.00 0.00 C ATOM 0 HA PRO A 60 -10.723 -5.591 -10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.251 -6.022 -11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.517 -6.424 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.557 -8.234 -12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.844 -8.515 -10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.253 -9.581 -11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.891 -9.126 -9.768 1.00 0.00 H new ATOM 941 N VAL A 64 -12.454 0.553 -10.329 1.00 0.00 N ATOM 942 CA VAL A 64 -12.148 0.616 -8.906 1.00 0.00 C ATOM 943 C VAL A 64 -13.336 1.152 -8.112 1.00 0.00 C ATOM 944 O VAL A 64 -13.452 0.910 -6.911 1.00 0.00 O ATOM 945 CB VAL A 64 -10.920 1.505 -8.634 1.00 0.00 C ATOM 946 CG1 VAL A 64 -9.643 0.796 -9.058 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.061 2.840 -9.349 1.00 0.00 C ATOM 0 HA VAL A 64 -11.928 -0.402 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.862 1.697 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.786 1.439 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.539 -0.132 -8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.688 0.572 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.185 3.456 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.145 2.671 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.955 3.352 -8.992 1.00 0.00 H new ATOM 957 N ASN A 65 -14.213 1.881 -8.792 1.00 0.00 N ATOM 958 CA ASN A 65 -15.392 2.452 -8.151 1.00 0.00 C ATOM 959 C ASN A 65 -16.468 1.389 -7.944 1.00 0.00 C ATOM 960 O ASN A 65 -17.510 1.653 -7.347 1.00 0.00 O ATOM 961 CB ASN A 65 -15.951 3.601 -8.992 1.00 0.00 C ATOM 962 CG ASN A 65 -15.594 4.961 -8.423 1.00 0.00 C ATOM 963 OD1 ASN A 65 -16.142 5.384 -7.406 1.00 0.00 O ATOM 964 ND2 ASN A 65 -14.668 5.652 -9.079 1.00 0.00 N ATOM 0 H ASN A 65 -14.130 2.091 -9.787 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.093 2.837 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.567 3.524 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.035 3.509 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.385 6.573 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.240 5.262 -9.919 1.00 0.00 H new ATOM 971 N ASN A 66 -16.206 0.186 -8.444 1.00 0.00 N ATOM 972 CA ASN A 66 -17.151 -0.918 -8.314 1.00 0.00 C ATOM 973 C ASN A 66 -16.581 -2.023 -7.431 1.00 0.00 C ATOM 974 O ASN A 66 -17.311 -2.892 -6.958 1.00 0.00 O ATOM 975 CB ASN A 66 -17.499 -1.482 -9.693 1.00 0.00 C ATOM 976 CG ASN A 66 -18.994 -1.492 -9.952 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.720 -2.339 -9.430 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.461 -0.549 -10.762 1.00 0.00 N ATOM 0 H ASN A 66 -15.348 -0.050 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.057 -0.534 -7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.004 -0.888 -10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.112 -2.497 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.458 -0.506 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.823 0.133 -11.172 1.00 0.00 H new ATOM 985 N TRP A 67 -15.270 -1.980 -7.212 1.00 0.00 N ATOM 986 CA TRP A 67 -14.601 -2.976 -6.384 1.00 0.00 C ATOM 987 C TRP A 67 -15.231 -3.044 -4.997 1.00 0.00 C ATOM 988 O TRP A 67 -16.159 -2.296 -4.691 1.00 0.00 O ATOM 989 CB TRP A 67 -13.110 -2.654 -6.267 1.00 0.00 C ATOM 990 CG TRP A 67 -12.348 -2.905 -7.532 1.00 0.00 C ATOM 991 CD1 TRP A 67 -12.857 -2.982 -8.796 1.00 0.00 C ATOM 992 CD2 TRP A 67 -10.936 -3.114 -7.654 1.00 0.00 C ATOM 993 NE1 TRP A 67 -11.850 -3.226 -9.697 1.00 0.00 N ATOM 994 CE2 TRP A 67 -10.661 -3.311 -9.021 1.00 0.00 C ATOM 995 CE3 TRP A 67 -9.878 -3.152 -6.741 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.372 -3.542 -9.495 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -8.599 -3.383 -7.213 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.355 -3.574 -8.580 1.00 0.00 C ATOM 0 H TRP A 67 -14.651 -1.266 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 67 -14.718 -3.948 -6.863 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.993 -1.609 -5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.678 -3.253 -5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -13.900 -2.868 -9.051 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -11.968 -3.327 -10.705 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.056 -3.004 -5.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.182 -3.691 -10.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.774 -3.417 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.344 -3.750 -8.918 1.00 0.00 H new ATOM 1009 N MET A 68 -14.720 -3.943 -4.163 1.00 0.00 N ATOM 1010 CA MET A 68 -15.231 -4.106 -2.808 1.00 0.00 C ATOM 1011 C MET A 68 -14.814 -2.934 -1.924 1.00 0.00 C ATOM 1012 O MET A 68 -15.634 -2.357 -1.211 1.00 0.00 O ATOM 1013 CB MET A 68 -14.730 -5.419 -2.204 1.00 0.00 C ATOM 1014 CG MET A 68 -15.847 -6.332 -1.724 1.00 0.00 C ATOM 1015 SD MET A 68 -15.292 -7.509 -0.476 1.00 0.00 S ATOM 1016 CE MET A 68 -14.706 -8.849 -1.508 1.00 0.00 C ATOM 0 H MET A 68 -13.952 -4.570 -4.402 1.00 0.00 H new ATOM 0 HA MET A 68 -16.320 -4.131 -2.859 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.134 -5.948 -2.948 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.069 -5.195 -1.366 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.655 -5.727 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.257 -6.876 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.330 -9.655 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.526 -9.221 -2.122 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.905 -8.488 -2.153 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.533 -2.587 -1.977 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.004 -1.484 -1.182 1.00 0.00 C ATOM 1028 C LYS A 69 -13.113 -1.787 0.309 1.00 0.00 C ATOM 1029 O LYS A 69 -13.946 -2.588 0.732 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.754 -0.191 -1.506 1.00 0.00 C ATOM 1031 CG LYS A 69 -13.876 0.086 -2.995 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.330 0.176 -3.429 1.00 0.00 C ATOM 1033 CE LYS A 69 -15.861 1.596 -3.304 1.00 0.00 C ATOM 1034 NZ LYS A 69 -16.972 1.688 -2.317 1.00 0.00 N ATOM 0 H LYS A 69 -12.841 -3.054 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.951 -1.359 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.752 -0.242 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.241 0.645 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.365 1.018 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.377 -0.705 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.424 -0.159 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.935 -0.495 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.052 2.261 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.211 1.940 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.306 2.671 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.755 1.073 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.632 1.384 -1.382 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.263 -1.141 1.101 1.00 0.00 N ATOM 1049 CA HIS A 70 -12.265 -1.339 2.547 1.00 0.00 C ATOM 1050 C HIS A 70 -12.080 -0.013 3.278 1.00 0.00 C ATOM 1051 O HIS A 70 -12.051 1.049 2.659 1.00 0.00 O ATOM 1052 CB HIS A 70 -11.159 -2.316 2.950 1.00 0.00 C ATOM 1053 CG HIS A 70 -11.635 -3.432 3.827 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -12.671 -3.292 4.728 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -11.215 -4.713 3.937 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -12.863 -4.438 5.356 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -11.993 -5.318 4.894 1.00 0.00 N ATOM 0 H HIS A 70 -11.565 -0.477 0.767 1.00 0.00 H new ATOM 0 HA HIS A 70 -13.231 -1.757 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.713 -2.738 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.373 -1.768 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.416 -5.175 3.376 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.605 -4.624 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.912 -6.288 5.198 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.957 -0.084 4.600 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.778 1.111 5.415 1.00 0.00 C ATOM 1067 C ASN A 71 -10.427 1.088 6.126 1.00 0.00 C ATOM 1068 O ASN A 71 -9.869 0.021 6.385 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.905 1.228 6.442 1.00 0.00 C ATOM 1070 CG ASN A 71 -14.114 1.960 5.893 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -14.289 2.070 4.679 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.956 2.467 6.787 1.00 0.00 N ATOM 0 H ASN A 71 -11.978 -0.956 5.129 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.807 1.978 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.203 0.231 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.536 1.752 7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.787 2.971 6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.772 2.352 7.784 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.909 2.270 6.441 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.625 2.385 7.124 1.00 0.00 C ATOM 1081 C VAL A 72 -8.635 3.537 8.122 1.00 0.00 C ATOM 1082 O VAL A 72 -9.250 4.575 7.880 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.474 2.596 6.123 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.151 2.751 6.856 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.413 1.444 5.131 1.00 0.00 C ATOM 0 H VAL A 72 -10.358 3.162 6.234 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.465 1.448 7.657 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.663 3.514 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.349 2.899 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.203 3.612 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.951 1.853 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.594 1.610 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.248 0.510 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.353 1.386 4.582 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.948 3.347 9.242 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.876 4.372 10.277 1.00 0.00 C ATOM 1097 C ALA A 73 -6.428 4.727 10.596 1.00 0.00 C ATOM 1098 O ALA A 73 -5.984 4.593 11.737 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.596 3.906 11.534 1.00 0.00 C ATOM 0 H ALA A 73 -7.433 2.493 9.457 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.369 5.268 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.534 4.681 12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.643 3.708 11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.128 2.994 11.904 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.697 5.179 9.584 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.298 5.554 9.758 1.00 0.00 C ATOM 1107 C ASP A 74 -3.514 4.431 10.429 1.00 0.00 C ATOM 1108 O ASP A 74 -2.915 4.625 11.487 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.191 6.835 10.588 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.850 7.523 10.417 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -1.995 6.984 9.684 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.658 8.602 11.015 1.00 0.00 O ATOM 0 H ASP A 74 -6.049 5.295 8.634 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.869 5.732 8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.988 7.520 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.343 6.597 11.641 1.00 0.00 H new ATOM 1117 N SER A 75 -3.524 3.256 9.808 1.00 0.00 N ATOM 1118 CA SER A 75 -2.817 2.099 10.347 1.00 0.00 C ATOM 1119 C SER A 75 -1.707 1.651 9.402 1.00 0.00 C ATOM 1120 O SER A 75 -0.715 1.061 9.829 1.00 0.00 O ATOM 1121 CB SER A 75 -3.793 0.947 10.589 1.00 0.00 C ATOM 1122 OG SER A 75 -3.868 0.623 11.967 1.00 0.00 O ATOM 0 H SER A 75 -4.014 3.080 8.931 1.00 0.00 H new ATOM 0 HA SER A 75 -2.366 2.389 11.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.782 1.221 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.475 0.071 10.023 1.00 0.00 H new ATOM 0 HG SER A 75 -4.500 -0.115 12.096 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.883 1.937 8.116 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.897 1.562 7.109 1.00 0.00 C ATOM 1130 C GLN A 76 -0.759 0.045 7.019 1.00 0.00 C ATOM 1131 O GLN A 76 0.236 -0.468 6.509 1.00 0.00 O ATOM 1132 CB GLN A 76 0.460 2.190 7.434 1.00 0.00 C ATOM 1133 CG GLN A 76 0.805 3.382 6.556 1.00 0.00 C ATOM 1134 CD GLN A 76 2.129 4.018 6.927 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.235 5.240 7.039 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.149 3.190 7.120 1.00 0.00 N ATOM 0 H GLN A 76 -2.698 2.427 7.747 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.241 1.935 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.465 2.505 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.237 1.433 7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.839 3.063 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.014 4.127 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.016 2.184 7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.066 3.560 7.372 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.763 -0.665 7.521 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.755 -2.123 7.495 1.00 0.00 C ATOM 1147 C ILE A 77 -3.139 -2.686 7.797 1.00 0.00 C ATOM 1148 O ILE A 77 -3.791 -2.280 8.759 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.747 -2.696 8.509 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.648 -4.216 8.359 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.152 -2.324 9.928 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.338 -4.854 9.311 1.00 0.00 C ATOM 0 H ILE A 77 -2.592 -0.255 7.951 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.457 -2.420 6.490 1.00 0.00 H new ATOM 0 HB ILE A 77 0.233 -2.265 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.633 -4.654 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.358 -4.454 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.430 -2.736 10.632 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.176 -1.239 10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.141 -2.730 10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.356 -5.932 9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.332 -4.444 9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.038 -4.647 10.338 1.00 0.00 H new ATOM 1164 N THR A 78 -3.582 -3.627 6.969 1.00 0.00 N ATOM 1165 CA THR A 78 -4.888 -4.248 7.146 1.00 0.00 C ATOM 1166 C THR A 78 -4.878 -5.697 6.673 1.00 0.00 C ATOM 1167 O THR A 78 -4.079 -6.076 5.816 1.00 0.00 O ATOM 1168 CB THR A 78 -5.985 -3.480 6.383 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.276 -3.982 6.744 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.786 -3.604 4.880 1.00 0.00 C ATOM 0 H THR A 78 -3.055 -3.976 6.169 1.00 0.00 H new ATOM 0 HA THR A 78 -5.108 -4.218 8.213 1.00 0.00 H new ATOM 0 HB THR A 78 -5.918 -2.427 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.967 -3.488 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.572 -3.054 4.362 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.815 -3.192 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.829 -4.655 4.593 1.00 0.00 H new ATOM 1178 N THR A 79 -5.770 -6.505 7.237 1.00 0.00 N ATOM 1179 CA THR A 79 -5.863 -7.913 6.874 1.00 0.00 C ATOM 1180 C THR A 79 -7.266 -8.266 6.396 1.00 0.00 C ATOM 1181 O THR A 79 -8.257 -7.919 7.039 1.00 0.00 O ATOM 1182 CB THR A 79 -5.492 -8.825 8.059 1.00 0.00 C ATOM 1183 OG1 THR A 79 -6.093 -8.334 9.263 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.983 -8.899 8.234 1.00 0.00 C ATOM 0 H THR A 79 -6.439 -6.208 7.948 1.00 0.00 H new ATOM 0 HA THR A 79 -5.154 -8.077 6.063 1.00 0.00 H new ATOM 0 HB THR A 79 -5.867 -9.827 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.996 -8.008 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.746 -9.549 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.531 -9.301 7.327 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.589 -7.900 8.424 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.344 -8.961 5.265 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.627 -9.363 4.702 1.00 0.00 C ATOM 1194 C ILE A 80 -8.764 -10.881 4.675 1.00 0.00 C ATOM 1195 O ILE A 80 -7.816 -11.594 4.346 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.811 -8.815 3.275 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.580 -7.302 3.251 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -10.200 -9.152 2.754 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.579 -6.713 1.857 1.00 0.00 C ATOM 0 H ILE A 80 -6.533 -9.257 4.721 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.400 -8.943 5.346 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.075 -9.286 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.355 -6.815 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.627 -7.080 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.315 -8.758 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.330 -10.234 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.951 -8.706 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.410 -5.638 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.785 -7.173 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.541 -6.903 1.381 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.951 -11.369 5.021 1.00 0.00 N ATOM 1212 CA GLY A 81 -10.192 -12.800 5.027 1.00 0.00 C ATOM 1213 C GLY A 81 -11.443 -13.182 4.263 1.00 0.00 C ATOM 1214 O GLY A 81 -12.023 -12.357 3.558 1.00 0.00 O ATOM 0 H GLY A 81 -10.750 -10.799 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.334 -13.311 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.280 -13.146 6.057 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.859 -14.436 4.400 1.00 0.00 N ATOM 1219 CA ASN A 82 -13.049 -14.926 3.713 1.00 0.00 C ATOM 1220 C ASN A 82 -12.863 -14.878 2.199 1.00 0.00 C ATOM 1221 O ASN A 82 -13.824 -14.699 1.449 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.272 -14.099 4.114 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.571 -14.855 3.923 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.613 -16.080 4.042 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.641 -14.129 3.623 1.00 0.00 N ATOM 0 H ASN A 82 -11.390 -15.132 4.980 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.207 -15.963 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.179 -13.801 5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.298 -13.184 3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.543 -14.584 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.561 -13.116 3.534 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.621 -15.040 1.757 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.308 -15.015 0.332 1.00 0.00 C ATOM 1234 C LEU A 83 -11.360 -16.420 -0.261 1.00 0.00 C ATOM 1235 O LEU A 83 -11.816 -17.362 0.387 1.00 0.00 O ATOM 1236 CB LEU A 83 -9.924 -14.405 0.104 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.644 -13.088 0.830 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.166 -12.965 1.161 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.103 -11.907 -0.014 1.00 0.00 C ATOM 0 H LEU A 83 -10.815 -15.190 2.364 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.056 -14.400 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.173 -15.133 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.792 -14.242 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.206 -13.083 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.986 -12.022 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.867 -13.793 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.583 -12.992 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.896 -10.978 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.568 -11.909 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.174 -11.988 -0.201 1.00 0.00 H new ATOM 1251 N VAL A 84 -10.888 -16.553 -1.497 1.00 0.00 N ATOM 1252 CA VAL A 84 -10.878 -17.842 -2.176 1.00 0.00 C ATOM 1253 C VAL A 84 -9.480 -18.190 -2.675 1.00 0.00 C ATOM 1254 O VAL A 84 -8.798 -17.378 -3.300 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.855 -17.857 -3.367 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.533 -16.729 -4.335 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.814 -19.204 -4.072 1.00 0.00 C ATOM 0 H VAL A 84 -10.508 -15.783 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.196 -18.586 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.865 -17.702 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.233 -16.755 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.618 -15.772 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.517 -16.850 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.510 -19.197 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.805 -19.392 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.097 -19.990 -3.372 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.043 -19.427 -2.395 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.721 -19.912 -2.807 1.00 0.00 C ATOM 1269 C PRO A 85 -7.623 -20.111 -4.315 1.00 0.00 C ATOM 1270 O PRO A 85 -8.615 -20.414 -4.977 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.593 -21.252 -2.081 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.997 -21.700 -1.860 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.804 -20.447 -1.656 1.00 0.00 C ATOM 0 HA PRO A 85 -6.931 -19.202 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.037 -21.974 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.060 -21.141 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.365 -22.266 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.066 -22.354 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.817 -20.553 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.894 -20.194 -0.599 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.419 -19.942 -4.853 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.191 -20.104 -6.283 1.00 0.00 C ATOM 1283 C GLN A 86 -6.989 -19.079 -7.081 1.00 0.00 C ATOM 1284 O GLN A 86 -7.733 -19.431 -7.999 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.570 -21.519 -6.724 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.987 -22.609 -5.839 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.984 -23.968 -6.511 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -4.961 -24.653 -6.548 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -7.131 -24.365 -7.048 1.00 0.00 N ATOM 0 H GLN A 86 -5.586 -19.693 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.131 -19.942 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.656 -21.610 -6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.231 -21.674 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.967 -22.342 -5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.561 -22.667 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.954 -23.765 -6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.189 -25.270 -7.515 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.832 -17.808 -6.727 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.538 -16.730 -7.410 1.00 0.00 C ATOM 1300 C LYS A 87 -6.758 -15.424 -7.314 1.00 0.00 C ATOM 1301 O LYS A 87 -6.420 -14.967 -6.221 1.00 0.00 O ATOM 1302 CB LYS A 87 -8.935 -16.547 -6.811 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.910 -17.647 -7.196 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.101 -17.720 -8.701 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.572 -17.639 -9.082 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.781 -17.863 -10.538 1.00 0.00 N ATOM 0 H LYS A 87 -6.222 -17.499 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.633 -17.000 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.853 -16.509 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.337 -15.587 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.543 -18.605 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.871 -17.468 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.555 -16.906 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.677 -18.651 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.135 -18.381 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.965 -16.661 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.796 -17.800 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.265 -17.140 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.429 -18.806 -10.798 1.00 0.00 H new ATOM 1320 N THR A 88 -6.476 -14.822 -8.466 1.00 0.00 N ATOM 1321 CA THR A 88 -5.736 -13.567 -8.513 1.00 0.00 C ATOM 1322 C THR A 88 -6.513 -12.446 -7.834 1.00 0.00 C ATOM 1323 O THR A 88 -7.651 -12.154 -8.203 1.00 0.00 O ATOM 1324 CB THR A 88 -5.421 -13.154 -9.963 1.00 0.00 C ATOM 1325 OG1 THR A 88 -4.678 -14.189 -10.617 1.00 0.00 O ATOM 1326 CG2 THR A 88 -4.628 -11.856 -9.996 1.00 0.00 C ATOM 0 H THR A 88 -6.749 -15.184 -9.379 1.00 0.00 H new ATOM 0 HA THR A 88 -4.800 -13.732 -7.979 1.00 0.00 H new ATOM 0 HB THR A 88 -6.365 -12.998 -10.486 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.483 -13.919 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.417 -11.585 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.208 -11.063 -9.524 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.690 -11.989 -9.458 1.00 0.00 H new ATOM 1334 N TYR A 89 -5.892 -11.819 -6.840 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.526 -10.730 -6.110 1.00 0.00 C ATOM 1336 C TYR A 89 -5.762 -9.423 -6.305 1.00 0.00 C ATOM 1337 O TYR A 89 -4.560 -9.351 -6.051 1.00 0.00 O ATOM 1338 CB TYR A 89 -6.609 -11.067 -4.620 1.00 0.00 C ATOM 1339 CG TYR A 89 -7.968 -11.566 -4.187 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -8.956 -10.682 -3.770 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.265 -12.924 -4.194 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.197 -11.135 -3.372 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.506 -13.385 -3.801 1.00 0.00 C ATOM 1344 CZ TYR A 89 -10.470 -12.488 -3.389 1.00 0.00 C ATOM 1345 OH TYR A 89 -11.707 -12.943 -2.995 1.00 0.00 O ATOM 0 H TYR A 89 -4.950 -12.047 -6.522 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.534 -10.602 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.861 -11.825 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.356 -10.179 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.749 -9.622 -3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.513 -13.630 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.952 -10.434 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.721 -14.443 -3.816 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.384 -12.262 -3.192 1.00 0.00 H new ATOM 1355 N SER A 90 -6.468 -8.393 -6.758 1.00 0.00 N ATOM 1356 CA SER A 90 -5.858 -7.090 -6.991 1.00 0.00 C ATOM 1357 C SER A 90 -5.881 -6.244 -5.722 1.00 0.00 C ATOM 1358 O SER A 90 -6.780 -6.375 -4.890 1.00 0.00 O ATOM 1359 CB SER A 90 -6.586 -6.357 -8.119 1.00 0.00 C ATOM 1360 OG SER A 90 -6.097 -6.759 -9.387 1.00 0.00 O ATOM 0 H SER A 90 -7.465 -8.436 -6.971 1.00 0.00 H new ATOM 0 HA SER A 90 -4.820 -7.250 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.655 -6.559 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.457 -5.281 -8.000 1.00 0.00 H new ATOM 0 HG SER A 90 -6.328 -6.082 -10.056 1.00 0.00 H new ATOM 1366 N VAL A 91 -4.887 -5.374 -5.579 1.00 0.00 N ATOM 1367 CA VAL A 91 -4.791 -4.504 -4.412 1.00 0.00 C ATOM 1368 C VAL A 91 -4.349 -3.101 -4.808 1.00 0.00 C ATOM 1369 O VAL A 91 -3.407 -2.929 -5.582 1.00 0.00 O ATOM 1370 CB VAL A 91 -3.805 -5.067 -3.372 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.867 -4.259 -2.086 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.095 -6.537 -3.103 1.00 0.00 C ATOM 0 H VAL A 91 -4.135 -5.252 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.786 -4.457 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.795 -4.988 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.163 -4.672 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.606 -3.222 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.876 -4.304 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.389 -6.918 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.111 -6.644 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.994 -7.103 -4.029 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.035 -2.097 -4.271 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.713 -0.707 -4.565 1.00 0.00 C ATOM 1384 C LYS A 92 -4.912 0.170 -3.332 1.00 0.00 C ATOM 1385 O LYS A 92 -5.975 0.154 -2.712 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.582 -0.193 -5.716 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.651 -1.144 -6.897 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.356 -0.509 -8.084 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.535 0.625 -8.678 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.175 1.196 -9.896 1.00 0.00 N ATOM 0 H LYS A 92 -5.818 -2.221 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.665 -0.657 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.591 -0.013 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.191 0.766 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.643 -1.439 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.177 -2.052 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.539 -1.265 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.329 -0.130 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.408 1.410 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.539 0.259 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.461 1.308 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.925 0.556 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.587 2.123 -9.669 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.883 0.937 -2.985 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.947 1.823 -1.829 1.00 0.00 C ATOM 1406 C VAL A 93 -3.656 3.266 -2.225 1.00 0.00 C ATOM 1407 O VAL A 93 -2.843 3.525 -3.113 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.950 1.392 -0.736 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.158 2.208 0.530 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.084 -0.096 -0.449 1.00 0.00 C ATOM 0 H VAL A 93 -2.996 0.962 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.961 1.755 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.939 1.580 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.445 1.889 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.006 3.265 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.173 2.056 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.372 -0.383 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.097 -0.311 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.879 -0.662 -1.358 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.325 4.202 -1.560 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.138 5.621 -1.843 1.00 0.00 C ATOM 1422 C LEU A 94 -4.186 6.443 -0.558 1.00 0.00 C ATOM 1423 O LEU A 94 -4.581 5.944 0.495 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.209 6.112 -2.817 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.564 6.466 -2.202 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.601 7.933 -1.802 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.691 6.150 -3.174 1.00 0.00 C ATOM 0 H LEU A 94 -5.001 4.004 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.156 5.750 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.826 6.992 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.365 5.342 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.703 5.861 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.572 8.167 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.818 8.130 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.439 8.554 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.647 6.408 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.556 6.728 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.678 5.086 -3.412 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.785 7.706 -0.655 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.787 8.598 0.498 1.00 0.00 C ATOM 1441 C ALA A 95 -4.718 9.785 0.273 1.00 0.00 C ATOM 1442 O ALA A 95 -4.756 10.359 -0.816 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.376 9.081 0.795 1.00 0.00 C ATOM 0 H ALA A 95 -3.455 8.135 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.156 8.038 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.393 9.746 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.736 8.225 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.986 9.619 -0.069 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.470 10.147 1.307 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.401 11.266 1.220 1.00 0.00 C ATOM 1451 C PHE A 96 -6.420 12.060 2.522 1.00 0.00 C ATOM 1452 O PHE A 96 -6.196 11.512 3.603 1.00 0.00 O ATOM 1453 CB PHE A 96 -7.809 10.760 0.897 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.458 10.026 2.035 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.170 10.714 3.005 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.356 8.647 2.136 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.769 10.042 4.052 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.954 7.971 3.181 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.660 8.668 4.142 1.00 0.00 C ATOM 0 H PHE A 96 -5.453 9.682 2.215 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.066 11.925 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.435 11.607 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.759 10.100 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.257 11.789 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.803 8.096 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.322 10.590 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.870 6.896 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.125 8.140 4.961 1.00 0.00 H new ATOM 1469 N THR A 97 -6.691 13.356 2.415 1.00 0.00 N ATOM 1470 CA THR A 97 -6.739 14.228 3.583 1.00 0.00 C ATOM 1471 C THR A 97 -8.092 14.921 3.697 1.00 0.00 C ATOM 1472 O THR A 97 -8.959 14.756 2.839 1.00 0.00 O ATOM 1473 CB THR A 97 -5.630 15.296 3.531 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.839 16.168 2.415 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.257 14.648 3.425 1.00 0.00 C ATOM 0 H THR A 97 -6.881 13.827 1.530 1.00 0.00 H new ATOM 0 HA THR A 97 -6.584 13.595 4.457 1.00 0.00 H new ATOM 0 HB THR A 97 -5.671 15.874 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.231 16.934 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.491 15.423 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.088 14.010 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.207 14.047 2.517 1.00 0.00 H new ATOM 1483 N SER A 98 -8.265 15.698 4.762 1.00 0.00 N ATOM 1484 CA SER A 98 -9.515 16.415 4.989 1.00 0.00 C ATOM 1485 C SER A 98 -9.867 17.287 3.789 1.00 0.00 C ATOM 1486 O SER A 98 -11.038 17.581 3.544 1.00 0.00 O ATOM 1487 CB SER A 98 -9.412 17.275 6.249 1.00 0.00 C ATOM 1488 OG SER A 98 -8.318 18.173 6.163 1.00 0.00 O ATOM 0 H SER A 98 -7.556 15.847 5.480 1.00 0.00 H new ATOM 0 HA SER A 98 -10.308 15.680 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.337 17.835 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.293 16.634 7.123 1.00 0.00 H new ATOM 0 HG SER A 98 -8.273 18.713 6.979 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.846 17.697 3.044 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.048 18.536 1.868 1.00 0.00 C ATOM 1496 C ILE A 99 -9.726 17.756 0.746 1.00 0.00 C ATOM 1497 O ILE A 99 -10.868 18.034 0.386 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.716 19.106 1.350 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.914 19.718 2.501 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.970 20.143 0.265 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.654 20.811 3.238 1.00 0.00 C ATOM 0 H ILE A 99 -7.872 17.462 3.233 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.692 19.360 2.174 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.133 18.292 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.648 18.931 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.981 20.123 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.018 20.537 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.504 19.679 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.570 20.957 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.026 21.199 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.897 21.617 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.574 20.407 3.661 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.012 16.776 0.200 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.562 15.970 -0.876 1.00 0.00 C ATOM 1515 C GLY A 100 -9.037 14.548 -0.860 1.00 0.00 C ATOM 1516 O GLY A 100 -8.901 13.941 0.202 1.00 0.00 O ATOM 0 H GLY A 100 -8.064 16.526 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.649 15.954 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.320 16.433 -1.833 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.742 14.016 -2.041 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.228 12.656 -2.159 1.00 0.00 C ATOM 1522 C ASP A 101 -7.012 12.612 -3.078 1.00 0.00 C ATOM 1523 O ASP A 101 -6.818 13.499 -3.910 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.318 11.721 -2.688 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.218 12.398 -3.704 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.805 12.517 -4.875 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.335 12.810 -3.326 1.00 0.00 O ATOM 0 H ASP A 101 -8.850 14.505 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.923 12.322 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.853 10.847 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.921 11.362 -1.854 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.196 11.574 -2.922 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.008 11.435 -3.745 1.00 0.00 C ATOM 1534 C GLY A 102 -5.150 10.345 -4.788 1.00 0.00 C ATOM 1535 O GLY A 102 -6.066 9.524 -4.739 1.00 0.00 O ATOM 0 H GLY A 102 -6.336 10.827 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.800 12.383 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.152 11.214 -3.107 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.227 10.330 -5.761 1.00 0.00 N ATOM 1540 CA PRO A 103 -4.233 9.338 -6.841 1.00 0.00 C ATOM 1541 C PRO A 103 -3.877 7.940 -6.346 1.00 0.00 C ATOM 1542 O PRO A 103 -3.023 7.778 -5.473 1.00 0.00 O ATOM 1543 CB PRO A 103 -3.161 9.854 -7.804 1.00 0.00 C ATOM 1544 CG PRO A 103 -2.245 10.663 -6.951 1.00 0.00 C ATOM 1545 CD PRO A 103 -3.108 11.279 -5.885 1.00 0.00 C ATOM 0 HA PRO A 103 -5.219 9.236 -7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.631 9.032 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.600 10.458 -8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.468 10.038 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.742 11.431 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.568 11.389 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.453 12.272 -6.172 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.534 6.932 -6.910 1.00 0.00 N ATOM 1554 CA LEU A 104 -4.286 5.547 -6.526 1.00 0.00 C ATOM 1555 C LEU A 104 -2.863 5.130 -6.883 1.00 0.00 C ATOM 1556 O LEU A 104 -2.197 5.782 -7.690 1.00 0.00 O ATOM 1557 CB LEU A 104 -5.290 4.618 -7.213 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.524 4.243 -6.394 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.598 3.648 -7.291 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.152 3.269 -5.286 1.00 0.00 C ATOM 0 H LEU A 104 -5.242 7.048 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.408 5.468 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.622 5.093 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.773 3.701 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.922 5.148 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.470 3.387 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.884 4.377 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.211 2.753 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.043 3.013 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.729 2.365 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.417 3.731 -4.627 1.00 0.00 H new ATOM 1572 N SER A 105 -2.403 4.038 -6.282 1.00 0.00 N ATOM 1573 CA SER A 105 -1.058 3.534 -6.536 1.00 0.00 C ATOM 1574 C SER A 105 -1.037 2.637 -7.770 1.00 0.00 C ATOM 1575 O SER A 105 -2.027 2.540 -8.497 1.00 0.00 O ATOM 1576 CB SER A 105 -0.542 2.760 -5.321 1.00 0.00 C ATOM 1577 OG SER A 105 -0.887 1.387 -5.407 1.00 0.00 O ATOM 0 H SER A 105 -2.942 3.485 -5.616 1.00 0.00 H new ATOM 0 HA SER A 105 -0.406 4.388 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.541 2.863 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.960 3.187 -4.409 1.00 0.00 H new ATOM 0 HG SER A 105 -0.545 0.914 -4.620 1.00 0.00 H new ATOM 1583 N SER A 106 0.096 1.982 -8.000 1.00 0.00 N ATOM 1584 CA SER A 106 0.248 1.097 -9.148 1.00 0.00 C ATOM 1585 C SER A 106 -0.551 -0.188 -8.952 1.00 0.00 C ATOM 1586 O SER A 106 -0.350 -0.916 -7.980 1.00 0.00 O ATOM 1587 CB SER A 106 1.725 0.762 -9.368 1.00 0.00 C ATOM 1588 OG SER A 106 1.935 0.205 -10.655 1.00 0.00 O ATOM 0 H SER A 106 0.923 2.048 -7.406 1.00 0.00 H new ATOM 0 HA SER A 106 -0.136 1.614 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.326 1.664 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.059 0.059 -8.605 1.00 0.00 H new ATOM 0 HG SER A 106 2.886 0.001 -10.772 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.461 -0.458 -9.883 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.292 -1.654 -9.814 1.00 0.00 C ATOM 1596 C ASP A 107 -1.434 -2.901 -9.628 1.00 0.00 C ATOM 1597 O ASP A 107 -0.699 -3.303 -10.532 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.138 -1.786 -11.082 1.00 0.00 C ATOM 1599 CG ASP A 107 -4.137 -0.656 -11.233 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -3.733 0.516 -11.083 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -5.322 -0.945 -11.498 1.00 0.00 O ATOM 0 H ASP A 107 -1.641 0.135 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.954 -1.559 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.482 -1.805 -11.952 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.670 -2.737 -11.063 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.532 -3.510 -8.451 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.766 -4.712 -8.146 1.00 0.00 C ATOM 1608 C ILE A 108 -1.683 -5.911 -7.933 1.00 0.00 C ATOM 1609 O ILE A 108 -2.799 -5.769 -7.431 1.00 0.00 O ATOM 1610 CB ILE A 108 0.107 -4.520 -6.892 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.755 -4.095 -5.703 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.196 -3.491 -7.157 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.144 -4.432 -4.361 1.00 0.00 C ATOM 0 H ILE A 108 -2.135 -3.190 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.121 -4.900 -9.004 1.00 0.00 H new ATOM 0 HB ILE A 108 0.583 -5.471 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.926 -3.020 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.729 -4.577 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.805 -3.366 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.826 -3.831 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.739 -2.537 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.811 -4.101 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.002 -5.510 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.817 -3.928 -4.262 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.205 -7.090 -8.317 1.00 0.00 N ATOM 1626 CA GLN A 109 -1.984 -8.314 -8.168 1.00 0.00 C ATOM 1627 C GLN A 109 -1.233 -9.336 -7.320 1.00 0.00 C ATOM 1628 O GLN A 109 -0.003 -9.358 -7.300 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.306 -8.909 -9.539 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.301 -8.085 -10.341 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.000 -8.092 -11.827 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -2.455 -9.061 -12.357 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -3.352 -7.008 -12.506 1.00 0.00 N ATOM 0 H GLN A 109 -0.283 -7.224 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.916 -8.063 -7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.383 -9.005 -10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.704 -9.915 -9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.306 -8.474 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.293 -7.058 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.801 -6.229 -12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.173 -6.954 -13.509 1.00 0.00 H new ATOM 1642 N VAL A 110 -1.982 -10.182 -6.620 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.388 -11.208 -5.771 1.00 0.00 C ATOM 1644 C VAL A 110 -2.217 -12.487 -5.791 1.00 0.00 C ATOM 1645 O VAL A 110 -3.438 -12.451 -5.634 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.250 -10.721 -4.317 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.594 -10.256 -3.778 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.668 -11.820 -3.440 1.00 0.00 C ATOM 0 H VAL A 110 -3.002 -10.177 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.396 -11.416 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.566 -9.873 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.475 -9.916 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.968 -9.436 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.304 -11.083 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.577 -11.458 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.326 -12.689 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.317 -12.101 -3.814 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.546 -13.617 -5.987 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.221 -14.908 -6.025 1.00 0.00 C ATOM 1660 C ILE A 111 -2.291 -15.534 -4.636 1.00 0.00 C ATOM 1661 O ILE A 111 -1.353 -15.426 -3.846 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.512 -15.886 -6.983 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.572 -15.361 -8.418 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.141 -17.268 -6.890 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.237 -15.396 -9.130 1.00 0.00 C ATOM 0 H ILE A 111 -0.536 -13.664 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.232 -14.725 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.465 -15.965 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.292 -15.953 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.942 -14.336 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -1.630 -17.947 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.050 -17.641 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.195 -17.207 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.354 -15.009 -10.142 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.481 -14.781 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.125 -16.423 -9.174 1.00 0.00 H new ATOM 1677 N THR A 112 -3.409 -16.193 -4.345 1.00 0.00 N ATOM 1678 CA THR A 112 -3.601 -16.837 -3.053 1.00 0.00 C ATOM 1679 C THR A 112 -3.299 -18.328 -3.133 1.00 0.00 C ATOM 1680 O THR A 112 -4.107 -19.109 -3.635 1.00 0.00 O ATOM 1681 CB THR A 112 -5.041 -16.644 -2.538 1.00 0.00 C ATOM 1682 OG1 THR A 112 -5.979 -16.942 -3.579 1.00 0.00 O ATOM 1683 CG2 THR A 112 -5.253 -15.219 -2.051 1.00 0.00 C ATOM 0 H THR A 112 -4.195 -16.294 -4.988 1.00 0.00 H new ATOM 0 HA THR A 112 -2.907 -16.365 -2.358 1.00 0.00 H new ATOM 0 HB THR A 112 -5.199 -17.326 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.877 -17.026 -3.196 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.276 -15.106 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.558 -15.005 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.077 -14.524 -2.872 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.132 -18.719 -2.633 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.724 -20.118 -2.647 1.00 0.00 C ATOM 1693 C GLN A 113 -0.670 -20.390 -1.578 1.00 0.00 C ATOM 1694 O GLN A 113 0.528 -20.425 -1.867 1.00 0.00 O ATOM 1695 CB GLN A 113 -1.179 -20.499 -4.026 1.00 0.00 C ATOM 1696 CG GLN A 113 -0.093 -19.563 -4.529 1.00 0.00 C ATOM 1697 CD GLN A 113 1.021 -20.298 -5.248 1.00 0.00 C ATOM 1698 OE1 GLN A 113 1.806 -21.020 -4.631 1.00 0.00 O ATOM 1699 NE2 GLN A 113 1.098 -20.118 -6.563 1.00 0.00 N ATOM 0 H GLN A 113 -1.452 -18.086 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.601 -20.727 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.782 -21.513 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.000 -20.508 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -0.534 -18.829 -5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.325 -19.011 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.427 -19.511 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.828 -20.587 -7.100 1.00 0.00 H new