USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 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 174:sc= -1.93 (180deg=-1.12) USER MOD Set 1.2: A 89 TYR OH : rot 35:sc= 0.386 USER MOD Set 2.1: A 56 TYR OH : rot 39:sc= 0.0759 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.192 X(o=-0.12,f=-0.56) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 19 SER OG : rot -54:sc= 0.367 USER MOD Single : A 20 SER OG : rot 140:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 152:sc= -5.01! (180deg=-5.59!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 38 GLN : amide:sc= -0.422 K(o=-0.42,f=-6.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.036) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=0.000215 X(o=0.00022,f=-0.22) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.727 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 -156:sc= -0.27 (180deg=-1.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.03) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.54) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.48) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.32) 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 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= 0.503 (180deg=0.0139) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -91:sc= 0.0644 USER MOD Single : A 106 SER OG : rot 180:sc= 0.074 USER MOD Single : A 109 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 112 THR OG1 : rot -168:sc= 0.282 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.190 21.113 1.311 1.00 0.00 N ATOM 187 CA GLN A 16 -4.078 20.634 0.258 1.00 0.00 C ATOM 188 C GLN A 16 -4.148 19.111 0.258 1.00 0.00 C ATOM 189 O GLN A 16 -3.540 18.451 1.099 1.00 0.00 O ATOM 190 CB GLN A 16 -3.602 21.136 -1.106 1.00 0.00 C ATOM 191 CG GLN A 16 -4.444 22.272 -1.663 1.00 0.00 C ATOM 192 CD GLN A 16 -4.198 23.586 -0.945 1.00 0.00 C ATOM 193 OE1 GLN A 16 -4.702 23.807 0.156 1.00 0.00 O ATOM 194 NE2 GLN A 16 -3.420 24.463 -1.566 1.00 0.00 N ATOM 0 HA GLN A 16 -5.077 21.025 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.568 21.469 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.612 20.307 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.225 22.395 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.499 22.010 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.024 24.237 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.218 25.363 -1.131 1.00 0.00 H new ATOM 203 N ALA A 17 -4.896 18.559 -0.693 1.00 0.00 N ATOM 204 CA ALA A 17 -5.044 17.113 -0.805 1.00 0.00 C ATOM 205 C ALA A 17 -3.721 16.451 -1.174 1.00 0.00 C ATOM 206 O ALA A 17 -2.805 17.089 -1.695 1.00 0.00 O ATOM 207 CB ALA A 17 -6.112 16.770 -1.833 1.00 0.00 C ATOM 0 H ALA A 17 -5.408 19.091 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.353 16.729 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.212 15.687 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.064 17.202 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.826 17.175 -2.804 1.00 0.00 H new ATOM 213 N PRO A 18 -3.615 15.143 -0.898 1.00 0.00 N ATOM 214 CA PRO A 18 -2.407 14.367 -1.192 1.00 0.00 C ATOM 215 C PRO A 18 -2.196 14.168 -2.689 1.00 0.00 C ATOM 216 O PRO A 18 -3.053 13.615 -3.378 1.00 0.00 O ATOM 217 CB PRO A 18 -2.671 13.024 -0.506 1.00 0.00 C ATOM 218 CG PRO A 18 -4.156 12.916 -0.446 1.00 0.00 C ATOM 219 CD PRO A 18 -4.667 14.321 -0.277 1.00 0.00 C ATOM 0 HA PRO A 18 -1.505 14.869 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.236 12.199 -1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.231 12.995 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.551 12.464 -1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.468 12.285 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.629 14.461 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.807 14.574 0.774 1.00 0.00 H new ATOM 227 N SER A 19 -1.051 14.623 -3.187 1.00 0.00 N ATOM 228 CA SER A 19 -0.730 14.498 -4.604 1.00 0.00 C ATOM 229 C SER A 19 0.401 13.498 -4.818 1.00 0.00 C ATOM 230 O SER A 19 1.243 13.674 -5.700 1.00 0.00 O ATOM 231 CB SER A 19 -0.338 15.859 -5.181 1.00 0.00 C ATOM 232 OG SER A 19 -0.273 15.813 -6.597 1.00 0.00 O ATOM 0 H SER A 19 -0.330 15.082 -2.630 1.00 0.00 H new ATOM 0 HA SER A 19 -1.617 14.133 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.063 16.611 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.628 16.163 -4.779 1.00 0.00 H new ATOM 0 HG SER A 19 0.319 15.083 -6.874 1.00 0.00 H new ATOM 238 N SER A 20 0.416 12.446 -4.004 1.00 0.00 N ATOM 239 CA SER A 20 1.446 11.418 -4.100 1.00 0.00 C ATOM 240 C SER A 20 0.895 10.057 -3.686 1.00 0.00 C ATOM 241 O SER A 20 0.321 9.909 -2.609 1.00 0.00 O ATOM 242 CB SER A 20 2.644 11.784 -3.222 1.00 0.00 C ATOM 243 OG SER A 20 3.804 11.076 -3.623 1.00 0.00 O ATOM 0 H SER A 20 -0.274 12.284 -3.271 1.00 0.00 H new ATOM 0 HA SER A 20 1.770 11.359 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.829 12.856 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.418 11.558 -2.180 1.00 0.00 H new ATOM 0 HG SER A 20 4.582 11.671 -3.579 1.00 0.00 H new ATOM 249 N ALA A 21 1.073 9.066 -4.554 1.00 0.00 N ATOM 250 CA ALA A 21 0.597 7.716 -4.280 1.00 0.00 C ATOM 251 C ALA A 21 1.405 7.064 -3.164 1.00 0.00 C ATOM 252 O ALA A 21 2.556 7.420 -2.910 1.00 0.00 O ATOM 253 CB ALA A 21 0.657 6.868 -5.543 1.00 0.00 C ATOM 0 H ALA A 21 1.543 9.173 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.440 7.784 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.299 5.862 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.029 7.317 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.686 6.817 -5.898 1.00 0.00 H new ATOM 259 N PRO A 22 0.790 6.088 -2.479 1.00 0.00 N ATOM 260 CA PRO A 22 1.436 5.367 -1.378 1.00 0.00 C ATOM 261 C PRO A 22 2.558 4.455 -1.862 1.00 0.00 C ATOM 262 O PRO A 22 2.480 3.880 -2.947 1.00 0.00 O ATOM 263 CB PRO A 22 0.295 4.539 -0.781 1.00 0.00 C ATOM 264 CG PRO A 22 -0.671 4.361 -1.900 1.00 0.00 C ATOM 265 CD PRO A 22 -0.581 5.613 -2.728 1.00 0.00 C ATOM 0 HA PRO A 22 1.908 6.045 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.654 3.578 -0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.167 5.052 0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.422 3.482 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.683 4.215 -1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.750 5.409 -3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.323 6.351 -2.423 1.00 0.00 H new ATOM 273 N ARG A 23 3.602 4.329 -1.050 1.00 0.00 N ATOM 274 CA ARG A 23 4.743 3.487 -1.395 1.00 0.00 C ATOM 275 C ARG A 23 4.829 2.280 -0.466 1.00 0.00 C ATOM 276 O ARG A 23 4.021 2.131 0.451 1.00 0.00 O ATOM 277 CB ARG A 23 6.041 4.295 -1.323 1.00 0.00 C ATOM 278 CG ARG A 23 5.950 5.654 -1.997 1.00 0.00 C ATOM 279 CD ARG A 23 7.279 6.058 -2.616 1.00 0.00 C ATOM 280 NE ARG A 23 7.623 5.227 -3.766 1.00 0.00 N ATOM 281 CZ ARG A 23 8.789 5.294 -4.399 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.719 6.146 -3.994 1.00 0.00 N ATOM 283 NH2 ARG A 23 9.026 4.505 -5.440 1.00 0.00 N ATOM 0 H ARG A 23 3.682 4.799 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 23 4.603 3.129 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.314 4.435 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.843 3.721 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.181 5.628 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.644 6.404 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.232 7.102 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.066 5.982 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 23 6.930 4.558 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.541 6.753 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.613 6.195 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.313 3.847 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.921 4.557 -5.926 1.00 0.00 H new ATOM 297 N ASP A 24 5.813 1.420 -0.711 1.00 0.00 N ATOM 298 CA ASP A 24 6.004 0.227 0.104 1.00 0.00 C ATOM 299 C ASP A 24 4.737 -0.622 0.131 1.00 0.00 C ATOM 300 O ASP A 24 4.508 -1.384 1.071 1.00 0.00 O ATOM 301 CB ASP A 24 6.405 0.615 1.529 1.00 0.00 C ATOM 302 CG ASP A 24 7.308 -0.416 2.178 1.00 0.00 C ATOM 303 OD1 ASP A 24 7.567 -1.460 1.544 1.00 0.00 O ATOM 304 OD2 ASP A 24 7.755 -0.178 3.319 1.00 0.00 O ATOM 0 H ASP A 24 6.489 1.528 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 24 6.805 -0.363 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.914 1.579 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.507 0.740 2.135 1.00 0.00 H new ATOM 309 N VAL A 25 3.919 -0.487 -0.907 1.00 0.00 N ATOM 310 CA VAL A 25 2.674 -1.242 -1.003 1.00 0.00 C ATOM 311 C VAL A 25 2.928 -2.656 -1.515 1.00 0.00 C ATOM 312 O VAL A 25 3.021 -2.882 -2.720 1.00 0.00 O ATOM 313 CB VAL A 25 1.665 -0.545 -1.933 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.390 -1.367 -2.049 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.360 0.859 -1.430 1.00 0.00 C ATOM 0 H VAL A 25 4.095 0.138 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 25 2.255 -1.292 0.002 1.00 0.00 H new ATOM 0 HB VAL A 25 2.108 -0.463 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.312 -0.859 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.626 -2.350 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.060 -1.482 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.645 1.338 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.937 0.802 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.280 1.444 -1.403 1.00 0.00 H new ATOM 325 N GLN A 26 3.038 -3.604 -0.589 1.00 0.00 N ATOM 326 CA GLN A 26 3.280 -4.996 -0.947 1.00 0.00 C ATOM 327 C GLN A 26 2.283 -5.918 -0.254 1.00 0.00 C ATOM 328 O GLN A 26 1.908 -5.692 0.896 1.00 0.00 O ATOM 329 CB GLN A 26 4.708 -5.399 -0.575 1.00 0.00 C ATOM 330 CG GLN A 26 5.023 -5.228 0.903 1.00 0.00 C ATOM 331 CD GLN A 26 6.417 -5.704 1.261 1.00 0.00 C ATOM 332 OE1 GLN A 26 6.608 -6.850 1.670 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.401 -4.825 1.108 1.00 0.00 N ATOM 0 H GLN A 26 2.963 -3.433 0.414 1.00 0.00 H new ATOM 0 HA GLN A 26 3.150 -5.095 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.867 -6.441 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.409 -4.802 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.922 -4.177 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.292 -5.781 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.197 -3.886 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.360 -5.089 1.332 1.00 0.00 H new ATOM 342 N ALA A 27 1.855 -6.958 -0.963 1.00 0.00 N ATOM 343 CA ALA A 27 0.902 -7.915 -0.415 1.00 0.00 C ATOM 344 C ALA A 27 1.560 -9.269 -0.176 1.00 0.00 C ATOM 345 O ALA A 27 2.091 -9.884 -1.101 1.00 0.00 O ATOM 346 CB ALA A 27 -0.291 -8.064 -1.347 1.00 0.00 C ATOM 0 H ALA A 27 2.153 -7.159 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 27 0.554 -7.534 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.995 -8.782 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.784 -7.099 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.049 -8.418 -2.320 1.00 0.00 H new ATOM 352 N ARG A 28 1.521 -9.729 1.071 1.00 0.00 N ATOM 353 CA ARG A 28 2.117 -11.010 1.433 1.00 0.00 C ATOM 354 C ARG A 28 1.064 -11.957 2.004 1.00 0.00 C ATOM 355 O ARG A 28 0.293 -11.582 2.888 1.00 0.00 O ATOM 356 CB ARG A 28 3.241 -10.806 2.448 1.00 0.00 C ATOM 357 CG ARG A 28 2.839 -9.946 3.636 1.00 0.00 C ATOM 358 CD ARG A 28 3.763 -10.171 4.823 1.00 0.00 C ATOM 359 NE ARG A 28 4.767 -9.118 4.943 1.00 0.00 N ATOM 360 CZ ARG A 28 5.469 -8.894 6.048 1.00 0.00 C ATOM 361 NH1 ARG A 28 5.278 -9.646 7.124 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.365 -7.915 6.079 1.00 0.00 N ATOM 0 H ARG A 28 1.083 -9.233 1.847 1.00 0.00 H new ATOM 0 HA ARG A 28 2.532 -11.458 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.573 -11.779 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.092 -10.345 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.862 -8.894 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.813 -10.176 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.173 -10.215 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.260 -11.135 4.718 1.00 0.00 H new ATOM 0 HE ARG A 28 4.939 -8.521 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.590 -10.399 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.819 -9.471 7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.515 -7.334 5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.904 -7.743 6.928 1.00 0.00 H new ATOM 376 N MET A 29 1.038 -13.183 1.492 1.00 0.00 N ATOM 377 CA MET A 29 0.082 -14.181 1.954 1.00 0.00 C ATOM 378 C MET A 29 0.557 -14.836 3.247 1.00 0.00 C ATOM 379 O MET A 29 1.754 -15.064 3.436 1.00 0.00 O ATOM 380 CB MET A 29 -0.131 -15.250 0.878 1.00 0.00 C ATOM 381 CG MET A 29 -1.472 -15.139 0.171 1.00 0.00 C ATOM 382 SD MET A 29 -2.867 -15.415 1.280 1.00 0.00 S ATOM 383 CE MET A 29 -3.768 -16.676 0.383 1.00 0.00 C ATOM 0 H MET A 29 1.667 -13.508 0.758 1.00 0.00 H new ATOM 0 HA MET A 29 -0.864 -13.676 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.667 -15.175 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.051 -16.236 1.336 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.560 -14.150 -0.279 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.511 -15.864 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.328 -17.293 1.086 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.459 -16.203 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.066 -17.301 -0.170 1.00 0.00 H new ATOM 393 N LEU A 30 -0.383 -15.133 4.136 1.00 0.00 N ATOM 394 CA LEU A 30 -0.060 -15.760 5.412 1.00 0.00 C ATOM 395 C LEU A 30 -0.829 -17.066 5.588 1.00 0.00 C ATOM 396 O LEU A 30 -0.316 -18.027 6.163 1.00 0.00 O ATOM 397 CB LEU A 30 -0.381 -14.808 6.566 1.00 0.00 C ATOM 398 CG LEU A 30 -0.045 -13.334 6.334 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.633 -12.472 7.440 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.463 -13.139 6.246 1.00 0.00 C ATOM 0 H LEU A 30 -1.377 -14.949 3.997 1.00 0.00 H new ATOM 0 HA LEU A 30 1.007 -15.984 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.445 -14.886 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.157 -15.148 7.451 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.487 -13.024 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.384 -11.427 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.717 -12.589 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.221 -12.781 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.685 -12.085 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.927 -13.466 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.858 -13.727 5.418 1.00 0.00 H new ATOM 412 N SER A 31 -2.058 -17.096 5.085 1.00 0.00 N ATOM 413 CA SER A 31 -2.897 -18.284 5.188 1.00 0.00 C ATOM 414 C SER A 31 -3.489 -18.650 3.829 1.00 0.00 C ATOM 415 O SER A 31 -3.092 -18.106 2.801 1.00 0.00 O ATOM 416 CB SER A 31 -4.020 -18.055 6.201 1.00 0.00 C ATOM 417 OG SER A 31 -4.150 -19.162 7.077 1.00 0.00 O ATOM 0 H SER A 31 -2.495 -16.311 4.602 1.00 0.00 H new ATOM 0 HA SER A 31 -2.274 -19.111 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.816 -17.153 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.961 -17.891 5.675 1.00 0.00 H new ATOM 0 HG SER A 31 -4.873 -18.990 7.716 1.00 0.00 H new ATOM 423 N SER A 32 -4.443 -19.575 3.837 1.00 0.00 N ATOM 424 CA SER A 32 -5.088 -20.018 2.607 1.00 0.00 C ATOM 425 C SER A 32 -6.144 -19.013 2.156 1.00 0.00 C ATOM 426 O SER A 32 -6.505 -18.958 0.980 1.00 0.00 O ATOM 427 CB SER A 32 -5.729 -21.393 2.807 1.00 0.00 C ATOM 428 OG SER A 32 -6.361 -21.481 4.073 1.00 0.00 O ATOM 0 H SER A 32 -4.786 -20.032 4.682 1.00 0.00 H new ATOM 0 HA SER A 32 -4.325 -20.091 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.459 -21.576 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.968 -22.169 2.722 1.00 0.00 H new ATOM 0 HG SER A 32 -6.764 -22.368 4.176 1.00 0.00 H new ATOM 434 N THR A 33 -6.639 -18.219 3.101 1.00 0.00 N ATOM 435 CA THR A 33 -7.654 -17.216 2.802 1.00 0.00 C ATOM 436 C THR A 33 -7.451 -15.961 3.644 1.00 0.00 C ATOM 437 O THR A 33 -8.416 -15.312 4.051 1.00 0.00 O ATOM 438 CB THR A 33 -9.073 -17.764 3.050 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.120 -18.456 4.302 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.493 -18.703 1.930 1.00 0.00 C ATOM 0 H THR A 33 -6.353 -18.251 4.080 1.00 0.00 H new ATOM 0 HA THR A 33 -7.549 -16.963 1.747 1.00 0.00 H new ATOM 0 HB THR A 33 -9.764 -16.922 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.026 -18.799 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.498 -19.077 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.485 -18.165 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.798 -19.541 1.877 1.00 0.00 H new ATOM 448 N THR A 34 -6.192 -15.624 3.901 1.00 0.00 N ATOM 449 CA THR A 34 -5.863 -14.447 4.696 1.00 0.00 C ATOM 450 C THR A 34 -4.625 -13.745 4.151 1.00 0.00 C ATOM 451 O THR A 34 -3.542 -14.327 4.100 1.00 0.00 O ATOM 452 CB THR A 34 -5.622 -14.814 6.172 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.158 -16.113 6.448 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.263 -13.789 7.096 1.00 0.00 C ATOM 0 H THR A 34 -5.383 -16.149 3.570 1.00 0.00 H new ATOM 0 HA THR A 34 -6.718 -13.774 4.632 1.00 0.00 H new ATOM 0 HB THR A 34 -4.547 -14.820 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.999 -16.339 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.080 -14.069 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.832 -12.806 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.337 -13.756 6.914 1.00 0.00 H new ATOM 462 N ILE A 35 -4.793 -12.490 3.744 1.00 0.00 N ATOM 463 CA ILE A 35 -3.687 -11.709 3.205 1.00 0.00 C ATOM 464 C ILE A 35 -3.357 -10.525 4.109 1.00 0.00 C ATOM 465 O ILE A 35 -4.032 -10.289 5.111 1.00 0.00 O ATOM 466 CB ILE A 35 -4.003 -11.188 1.790 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.207 -10.244 1.828 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.265 -12.351 0.844 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.464 -9.539 0.515 1.00 0.00 C ATOM 0 H ILE A 35 -5.684 -11.994 3.778 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.826 -12.375 3.154 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.140 -10.632 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.095 -10.812 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.049 -9.498 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.487 -11.967 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.382 -12.989 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.114 -12.931 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.332 -8.887 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.592 -8.944 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.654 -10.278 -0.264 1.00 0.00 H new ATOM 481 N LEU A 36 -2.317 -9.783 3.746 1.00 0.00 N ATOM 482 CA LEU A 36 -1.900 -8.622 4.523 1.00 0.00 C ATOM 483 C LEU A 36 -1.333 -7.534 3.615 1.00 0.00 C ATOM 484 O LEU A 36 -0.373 -7.762 2.879 1.00 0.00 O ATOM 485 CB LEU A 36 -0.854 -9.028 5.563 1.00 0.00 C ATOM 486 CG LEU A 36 -0.014 -7.894 6.150 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.910 -6.776 6.662 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.882 -8.414 7.264 1.00 0.00 C ATOM 0 H LEU A 36 -1.748 -9.965 2.919 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.777 -8.224 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.363 -9.537 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.180 -9.753 5.107 1.00 0.00 H new ATOM 0 HG LEU A 36 0.620 -7.491 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.295 -5.977 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.508 -6.384 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.570 -7.165 7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.472 -7.592 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.267 -8.844 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.549 -9.179 6.867 1.00 0.00 H new ATOM 500 N VAL A 37 -1.934 -6.349 3.672 1.00 0.00 N ATOM 501 CA VAL A 37 -1.489 -5.226 2.858 1.00 0.00 C ATOM 502 C VAL A 37 -0.834 -4.151 3.717 1.00 0.00 C ATOM 503 O VAL A 37 -1.471 -3.573 4.598 1.00 0.00 O ATOM 504 CB VAL A 37 -2.660 -4.599 2.077 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.149 -3.559 1.092 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.458 -5.679 1.359 1.00 0.00 C ATOM 0 H VAL A 37 -2.731 -6.143 4.274 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.758 -5.618 2.150 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.321 -4.099 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.990 -3.127 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.624 -2.772 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.466 -4.031 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.282 -5.220 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.809 -6.208 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.856 -6.384 2.089 1.00 0.00 H new ATOM 516 N GLN A 38 0.441 -3.885 3.454 1.00 0.00 N ATOM 517 CA GLN A 38 1.183 -2.879 4.203 1.00 0.00 C ATOM 518 C GLN A 38 1.825 -1.863 3.263 1.00 0.00 C ATOM 519 O GLN A 38 2.318 -2.218 2.193 1.00 0.00 O ATOM 520 CB GLN A 38 2.259 -3.545 5.064 1.00 0.00 C ATOM 521 CG GLN A 38 3.317 -4.279 4.258 1.00 0.00 C ATOM 522 CD GLN A 38 3.474 -5.726 4.682 1.00 0.00 C ATOM 523 OE1 GLN A 38 3.548 -6.626 3.845 1.00 0.00 O ATOM 524 NE2 GLN A 38 3.526 -5.958 5.989 1.00 0.00 N ATOM 0 H GLN A 38 0.982 -4.353 2.727 1.00 0.00 H new ATOM 0 HA GLN A 38 0.481 -2.354 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.744 -2.785 5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.782 -4.248 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.054 -4.241 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.273 -3.766 4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.461 -5.182 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.631 -6.912 6.334 1.00 0.00 H new ATOM 533 N TRP A 39 1.814 -0.600 3.672 1.00 0.00 N ATOM 534 CA TRP A 39 2.395 0.467 2.865 1.00 0.00 C ATOM 535 C TRP A 39 2.860 1.624 3.745 1.00 0.00 C ATOM 536 O TRP A 39 2.639 1.623 4.956 1.00 0.00 O ATOM 537 CB TRP A 39 1.380 0.969 1.837 1.00 0.00 C ATOM 538 CG TRP A 39 0.158 1.579 2.457 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.010 2.882 2.826 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.062 0.906 2.783 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.264 3.061 3.362 1.00 0.00 N ATOM 542 CE2 TRP A 39 -1.928 1.864 3.347 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.510 -0.412 2.654 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.214 1.544 3.778 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.785 -0.728 3.083 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.626 0.246 3.639 1.00 0.00 C ATOM 0 H TRP A 39 1.410 -0.290 4.556 1.00 0.00 H new ATOM 0 HA TRP A 39 3.261 0.061 2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.860 1.707 1.194 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.079 0.138 1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.732 3.658 2.714 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.638 3.942 3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.871 -1.170 2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.863 2.294 4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.140 -1.744 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.618 -0.033 3.964 1.00 0.00 H new ATOM 557 N LYS A 40 3.506 2.608 3.129 1.00 0.00 N ATOM 558 CA LYS A 40 4.001 3.771 3.855 1.00 0.00 C ATOM 559 C LYS A 40 3.269 5.036 3.420 1.00 0.00 C ATOM 560 O LYS A 40 2.551 5.036 2.420 1.00 0.00 O ATOM 561 CB LYS A 40 5.506 3.937 3.630 1.00 0.00 C ATOM 562 CG LYS A 40 6.357 3.076 4.548 1.00 0.00 C ATOM 563 CD LYS A 40 7.833 3.197 4.215 1.00 0.00 C ATOM 564 CE LYS A 40 8.695 3.121 5.466 1.00 0.00 C ATOM 565 NZ LYS A 40 9.953 2.358 5.228 1.00 0.00 N ATOM 0 H LYS A 40 3.699 2.623 2.128 1.00 0.00 H new ATOM 0 HA LYS A 40 3.814 3.611 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.739 3.690 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.773 4.984 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.191 3.373 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.048 2.034 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.118 2.401 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.015 4.142 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.940 4.129 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.129 2.648 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.512 2.329 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.720 1.388 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.505 2.824 4.480 1.00 0.00 H new ATOM 579 N GLU A 41 3.457 6.113 4.176 1.00 0.00 N ATOM 580 CA GLU A 41 2.814 7.385 3.866 1.00 0.00 C ATOM 581 C GLU A 41 3.342 7.955 2.553 1.00 0.00 C ATOM 582 O GLU A 41 4.419 7.595 2.078 1.00 0.00 O ATOM 583 CB GLU A 41 3.044 8.387 5.000 1.00 0.00 C ATOM 584 CG GLU A 41 1.841 8.561 5.912 1.00 0.00 C ATOM 585 CD GLU A 41 2.107 9.525 7.051 1.00 0.00 C ATOM 586 OE1 GLU A 41 2.785 9.126 8.021 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.636 10.679 6.972 1.00 0.00 O ATOM 0 H GLU A 41 4.049 6.130 5.007 1.00 0.00 H new ATOM 0 HA GLU A 41 1.744 7.207 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.896 8.060 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.307 9.354 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.995 8.921 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.556 7.591 6.321 1.00 0.00 H new ATOM 594 N PRO A 42 2.566 8.869 1.951 1.00 0.00 N ATOM 595 CA PRO A 42 2.934 9.510 0.685 1.00 0.00 C ATOM 596 C PRO A 42 4.109 10.468 0.841 1.00 0.00 C ATOM 597 O PRO A 42 4.553 10.745 1.954 1.00 0.00 O ATOM 598 CB PRO A 42 1.667 10.276 0.294 1.00 0.00 C ATOM 599 CG PRO A 42 0.965 10.531 1.584 1.00 0.00 C ATOM 600 CD PRO A 42 1.269 9.347 2.461 1.00 0.00 C ATOM 0 HA PRO A 42 3.257 8.784 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.910 11.208 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.046 9.693 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.314 11.456 2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.109 10.637 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.330 9.630 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.499 8.580 2.382 1.00 0.00 H new ATOM 608 N GLU A 43 4.608 10.973 -0.283 1.00 0.00 N ATOM 609 CA GLU A 43 5.734 11.901 -0.271 1.00 0.00 C ATOM 610 C GLU A 43 5.246 13.345 -0.211 1.00 0.00 C ATOM 611 O GLU A 43 5.957 14.231 0.265 1.00 0.00 O ATOM 612 CB GLU A 43 6.606 11.695 -1.510 1.00 0.00 C ATOM 613 CG GLU A 43 8.036 11.291 -1.189 1.00 0.00 C ATOM 614 CD GLU A 43 9.058 12.085 -1.976 1.00 0.00 C ATOM 615 OE1 GLU A 43 9.146 11.883 -3.206 1.00 0.00 O ATOM 616 OE2 GLU A 43 9.773 12.906 -1.364 1.00 0.00 O ATOM 0 H GLU A 43 4.251 10.755 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 43 6.330 11.700 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.153 10.928 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.620 12.617 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.218 11.428 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.166 10.230 -1.400 1.00 0.00 H new ATOM 623 N GLU A 44 4.032 13.574 -0.699 1.00 0.00 N ATOM 624 CA GLU A 44 3.450 14.912 -0.702 1.00 0.00 C ATOM 625 C GLU A 44 2.095 14.918 0.000 1.00 0.00 C ATOM 626 O GLU A 44 1.041 15.011 -0.632 1.00 0.00 O ATOM 627 CB GLU A 44 3.297 15.422 -2.137 1.00 0.00 C ATOM 628 CG GLU A 44 4.574 15.331 -2.955 1.00 0.00 C ATOM 629 CD GLU A 44 4.476 16.071 -4.275 1.00 0.00 C ATOM 630 OE1 GLU A 44 3.971 17.212 -4.278 1.00 0.00 O ATOM 631 OE2 GLU A 44 4.902 15.507 -5.304 1.00 0.00 O ATOM 0 H GLU A 44 3.432 12.852 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 44 4.123 15.575 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.515 14.850 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.965 16.460 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.402 15.738 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.804 14.283 -3.147 1.00 0.00 H new ATOM 638 N PRO A 45 2.120 14.817 1.336 1.00 0.00 N ATOM 639 CA PRO A 45 0.903 14.808 2.153 1.00 0.00 C ATOM 640 C PRO A 45 0.113 16.106 2.031 1.00 0.00 C ATOM 641 O PRO A 45 -1.080 16.092 1.734 1.00 0.00 O ATOM 642 CB PRO A 45 1.434 14.636 3.578 1.00 0.00 C ATOM 643 CG PRO A 45 2.858 15.067 3.507 1.00 0.00 C ATOM 644 CD PRO A 45 3.339 14.702 2.154 1.00 0.00 C ATOM 0 HA PRO A 45 0.211 14.025 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.871 15.244 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.350 13.601 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.948 16.140 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.452 14.574 4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.124 15.375 1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.750 13.693 2.129 1.00 0.00 H new ATOM 652 N ASN A 46 0.789 17.227 2.261 1.00 0.00 N ATOM 653 CA ASN A 46 0.149 18.536 2.176 1.00 0.00 C ATOM 654 C ASN A 46 -0.945 18.676 3.229 1.00 0.00 C ATOM 655 O ASN A 46 -1.890 19.445 3.060 1.00 0.00 O ATOM 656 CB ASN A 46 -0.441 18.749 0.781 1.00 0.00 C ATOM 657 CG ASN A 46 0.546 18.415 -0.321 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.659 18.939 -0.353 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.140 17.538 -1.232 1.00 0.00 N ATOM 0 H ASN A 46 1.778 17.256 2.507 1.00 0.00 H new ATOM 0 HA ASN A 46 0.908 19.296 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.331 18.130 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.759 19.787 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.760 17.274 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.792 17.128 -1.166 1.00 0.00 H new ATOM 666 N GLY A 47 -0.810 17.925 4.320 1.00 0.00 N ATOM 667 CA GLY A 47 -1.793 17.981 5.385 1.00 0.00 C ATOM 668 C GLY A 47 -1.855 16.694 6.184 1.00 0.00 C ATOM 669 O GLY A 47 -1.276 15.682 5.788 1.00 0.00 O ATOM 0 H GLY A 47 -0.037 17.280 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.554 18.809 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.775 18.188 4.959 1.00 0.00 H new ATOM 673 N GLN A 48 -2.559 16.732 7.310 1.00 0.00 N ATOM 674 CA GLN A 48 -2.693 15.559 8.166 1.00 0.00 C ATOM 675 C GLN A 48 -3.515 14.474 7.480 1.00 0.00 C ATOM 676 O GLN A 48 -4.634 14.722 7.030 1.00 0.00 O ATOM 677 CB GLN A 48 -3.344 15.945 9.496 1.00 0.00 C ATOM 678 CG GLN A 48 -2.355 16.070 10.644 1.00 0.00 C ATOM 679 CD GLN A 48 -2.689 17.216 11.579 1.00 0.00 C ATOM 680 OE1 GLN A 48 -3.506 17.072 12.489 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.056 18.362 11.359 1.00 0.00 N ATOM 0 H GLN A 48 -3.045 17.561 7.651 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.695 15.165 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.867 16.893 9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.095 15.198 9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.340 15.138 11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.353 16.215 10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.387 18.436 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.239 19.168 11.956 1.00 0.00 H new ATOM 690 N ILE A 49 -2.953 13.273 7.403 1.00 0.00 N ATOM 691 CA ILE A 49 -3.634 12.149 6.771 1.00 0.00 C ATOM 692 C ILE A 49 -4.700 11.565 7.692 1.00 0.00 C ATOM 693 O ILE A 49 -4.395 11.089 8.785 1.00 0.00 O ATOM 694 CB ILE A 49 -2.644 11.038 6.378 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.578 11.585 5.427 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.383 9.871 5.740 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.137 12.061 4.105 1.00 0.00 C ATOM 0 H ILE A 49 -2.027 13.053 7.770 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.109 12.534 5.869 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.148 10.679 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.059 12.412 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.836 10.809 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.669 9.094 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.106 9.467 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.904 10.215 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.326 12.436 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.631 11.231 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.858 12.859 4.281 1.00 0.00 H new ATOM 709 N GLN A 50 -5.950 11.602 7.242 1.00 0.00 N ATOM 710 CA GLN A 50 -7.060 11.075 8.026 1.00 0.00 C ATOM 711 C GLN A 50 -7.149 9.557 7.890 1.00 0.00 C ATOM 712 O GLN A 50 -7.660 8.874 8.777 1.00 0.00 O ATOM 713 CB GLN A 50 -8.376 11.716 7.582 1.00 0.00 C ATOM 714 CG GLN A 50 -8.313 13.233 7.495 1.00 0.00 C ATOM 715 CD GLN A 50 -8.195 13.890 8.856 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.916 13.545 9.792 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.279 14.846 8.973 1.00 0.00 N ATOM 0 H GLN A 50 -6.219 11.991 6.339 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.881 11.319 9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.655 11.315 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.163 11.432 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.461 13.523 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.208 13.602 6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.702 15.101 8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.153 15.325 9.865 1.00 0.00 H new ATOM 726 N GLY A 51 -6.651 9.038 6.772 1.00 0.00 N ATOM 727 CA GLY A 51 -6.684 7.605 6.542 1.00 0.00 C ATOM 728 C GLY A 51 -6.314 7.239 5.118 1.00 0.00 C ATOM 729 O GLY A 51 -5.613 7.988 4.439 1.00 0.00 O ATOM 0 H GLY A 51 -6.226 9.583 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.997 7.113 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.682 7.227 6.764 1.00 0.00 H new ATOM 733 N TYR A 52 -6.785 6.082 4.666 1.00 0.00 N ATOM 734 CA TYR A 52 -6.496 5.615 3.315 1.00 0.00 C ATOM 735 C TYR A 52 -7.651 4.782 2.768 1.00 0.00 C ATOM 736 O TYR A 52 -8.576 4.428 3.498 1.00 0.00 O ATOM 737 CB TYR A 52 -5.208 4.791 3.303 1.00 0.00 C ATOM 738 CG TYR A 52 -4.036 5.488 3.956 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.198 6.318 3.222 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.768 5.318 5.309 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.126 6.956 3.814 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.700 5.954 5.910 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.881 6.771 5.158 1.00 0.00 C ATOM 744 OH TYR A 52 -0.815 7.407 5.753 1.00 0.00 O ATOM 0 H TYR A 52 -7.368 5.451 5.215 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.367 6.488 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.387 3.845 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.949 4.552 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.388 6.467 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.406 4.678 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.483 7.596 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.507 5.813 6.963 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.783 7.172 6.704 1.00 0.00 H new ATOM 754 N ARG A 53 -7.590 4.475 1.476 1.00 0.00 N ATOM 755 CA ARG A 53 -8.631 3.685 0.829 1.00 0.00 C ATOM 756 C ARG A 53 -8.034 2.466 0.133 1.00 0.00 C ATOM 757 O ARG A 53 -7.008 2.563 -0.544 1.00 0.00 O ATOM 758 CB ARG A 53 -9.394 4.541 -0.183 1.00 0.00 C ATOM 759 CG ARG A 53 -10.426 5.460 0.450 1.00 0.00 C ATOM 760 CD ARG A 53 -10.930 6.498 -0.539 1.00 0.00 C ATOM 761 NE ARG A 53 -11.003 7.830 0.054 1.00 0.00 N ATOM 762 CZ ARG A 53 -11.911 8.183 0.959 1.00 0.00 C ATOM 763 NH1 ARG A 53 -12.817 7.308 1.370 1.00 0.00 N ATOM 764 NH2 ARG A 53 -11.912 9.416 1.452 1.00 0.00 N ATOM 0 H ARG A 53 -6.831 4.761 0.857 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.322 3.340 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.681 5.143 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.893 3.886 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.265 4.868 0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.988 5.961 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.270 6.523 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.917 6.207 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.320 8.528 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.819 6.361 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.512 7.582 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.216 10.092 1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.608 9.687 2.146 1.00 0.00 H new ATOM 778 N VAL A 54 -8.681 1.317 0.302 1.00 0.00 N ATOM 779 CA VAL A 54 -8.214 0.080 -0.310 1.00 0.00 C ATOM 780 C VAL A 54 -9.224 -0.447 -1.325 1.00 0.00 C ATOM 781 O VAL A 54 -10.433 -0.287 -1.154 1.00 0.00 O ATOM 782 CB VAL A 54 -7.955 -1.008 0.750 1.00 0.00 C ATOM 783 CG1 VAL A 54 -7.317 -2.233 0.113 1.00 0.00 C ATOM 784 CG2 VAL A 54 -7.082 -0.463 1.870 1.00 0.00 C ATOM 0 H VAL A 54 -9.530 1.218 0.858 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.278 0.313 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.911 -1.308 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.142 -2.991 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.983 -2.635 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.368 -1.953 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.909 -1.245 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.127 -0.134 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.583 0.381 2.344 1.00 0.00 H new ATOM 794 N TYR A 55 -8.720 -1.074 -2.381 1.00 0.00 N ATOM 795 CA TYR A 55 -9.577 -1.622 -3.426 1.00 0.00 C ATOM 796 C TYR A 55 -9.130 -3.027 -3.817 1.00 0.00 C ATOM 797 O TYR A 55 -8.007 -3.225 -4.283 1.00 0.00 O ATOM 798 CB TYR A 55 -9.566 -0.710 -4.655 1.00 0.00 C ATOM 799 CG TYR A 55 -9.954 0.718 -4.352 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.039 1.606 -3.799 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.237 1.183 -4.616 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.391 2.913 -3.519 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.596 2.487 -4.342 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.670 3.349 -3.794 1.00 0.00 C ATOM 805 OH TYR A 55 -11.024 4.650 -3.518 1.00 0.00 O ATOM 0 H TYR A 55 -7.722 -1.216 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.592 -1.680 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.569 -0.721 -5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.250 -1.113 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.036 1.269 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.967 0.511 -5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.668 3.589 -3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.597 2.831 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.959 4.795 -3.772 1.00 0.00 H new ATOM 815 N TYR A 56 -10.015 -3.998 -3.625 1.00 0.00 N ATOM 816 CA TYR A 56 -9.711 -5.385 -3.955 1.00 0.00 C ATOM 817 C TYR A 56 -10.979 -6.142 -4.340 1.00 0.00 C ATOM 818 O TYR A 56 -11.985 -6.099 -3.630 1.00 0.00 O ATOM 819 CB TYR A 56 -9.031 -6.076 -2.772 1.00 0.00 C ATOM 820 CG TYR A 56 -9.942 -6.274 -1.581 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.154 -5.250 -0.666 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.589 -7.485 -1.370 1.00 0.00 C ATOM 823 CE1 TYR A 56 -10.984 -5.427 0.424 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.423 -7.671 -0.283 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.616 -6.639 0.611 1.00 0.00 C ATOM 826 OH TYR A 56 -12.445 -6.820 1.695 1.00 0.00 O ATOM 0 H TYR A 56 -10.949 -3.850 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.032 -5.389 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.655 -7.046 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.168 -5.486 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.662 -4.300 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.438 -8.296 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.137 -4.621 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.920 -8.618 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.962 -6.002 1.851 1.00 0.00 H new ATOM 836 N THR A 57 -10.923 -6.838 -5.472 1.00 0.00 N ATOM 837 CA THR A 57 -12.065 -7.605 -5.954 1.00 0.00 C ATOM 838 C THR A 57 -11.629 -8.666 -6.959 1.00 0.00 C ATOM 839 O THR A 57 -10.616 -8.510 -7.639 1.00 0.00 O ATOM 840 CB THR A 57 -13.118 -6.693 -6.611 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.316 -7.434 -6.866 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.590 -6.107 -7.911 1.00 0.00 C ATOM 0 H THR A 57 -10.099 -6.886 -6.071 1.00 0.00 H new ATOM 0 HA THR A 57 -12.509 -8.091 -5.085 1.00 0.00 H new ATOM 0 HB THR A 57 -13.337 -5.874 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.981 -6.847 -7.282 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.351 -5.466 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.695 -5.520 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.345 -6.914 -8.601 1.00 0.00 H new ATOM 850 N MET A 58 -12.402 -9.742 -7.048 1.00 0.00 N ATOM 851 CA MET A 58 -12.097 -10.827 -7.974 1.00 0.00 C ATOM 852 C MET A 58 -12.539 -10.475 -9.390 1.00 0.00 C ATOM 853 O MET A 58 -12.031 -11.030 -10.366 1.00 0.00 O ATOM 854 CB MET A 58 -12.779 -12.119 -7.520 1.00 0.00 C ATOM 855 CG MET A 58 -14.287 -11.991 -7.372 1.00 0.00 C ATOM 856 SD MET A 58 -14.910 -12.807 -5.890 1.00 0.00 S ATOM 857 CE MET A 58 -14.066 -14.382 -5.989 1.00 0.00 C ATOM 0 H MET A 58 -13.244 -9.887 -6.491 1.00 0.00 H new ATOM 0 HA MET A 58 -11.017 -10.976 -7.977 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.558 -12.908 -8.239 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.353 -12.429 -6.565 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.557 -10.935 -7.342 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.772 -12.419 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.265 -14.959 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.425 -14.933 -6.858 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.993 -14.215 -6.083 1.00 0.00 H new ATOM 867 N ASP A 59 -13.486 -9.550 -9.498 1.00 0.00 N ATOM 868 CA ASP A 59 -13.996 -9.124 -10.795 1.00 0.00 C ATOM 869 C ASP A 59 -13.616 -7.674 -11.078 1.00 0.00 C ATOM 870 O ASP A 59 -14.436 -6.760 -10.983 1.00 0.00 O ATOM 871 CB ASP A 59 -15.515 -9.284 -10.848 1.00 0.00 C ATOM 872 CG ASP A 59 -15.937 -10.705 -11.165 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.188 -11.640 -10.810 1.00 0.00 O ATOM 874 OD2 ASP A 59 -17.016 -10.884 -11.768 1.00 0.00 O ATOM 0 H ASP A 59 -13.916 -9.080 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.545 -9.756 -11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.942 -8.986 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.922 -8.610 -11.602 1.00 0.00 H new ATOM 879 N PRO A 60 -12.341 -7.455 -11.433 1.00 0.00 N ATOM 880 CA PRO A 60 -11.821 -6.118 -11.737 1.00 0.00 C ATOM 881 C PRO A 60 -12.383 -5.560 -13.041 1.00 0.00 C ATOM 882 O PRO A 60 -12.178 -4.390 -13.367 1.00 0.00 O ATOM 883 CB PRO A 60 -10.312 -6.342 -11.857 1.00 0.00 C ATOM 884 CG PRO A 60 -10.171 -7.775 -12.238 1.00 0.00 C ATOM 885 CD PRO A 60 -11.307 -8.495 -11.566 1.00 0.00 C ATOM 0 HA PRO A 60 -12.098 -5.390 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.873 -5.687 -12.610 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.804 -6.131 -10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.217 -7.898 -13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.210 -8.173 -11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.658 -9.337 -12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.012 -8.894 -10.596 1.00 0.00 H new ATOM 941 N VAL A 64 -13.996 0.679 -10.529 1.00 0.00 N ATOM 942 CA VAL A 64 -13.393 0.707 -9.201 1.00 0.00 C ATOM 943 C VAL A 64 -14.424 1.069 -8.138 1.00 0.00 C ATOM 944 O VAL A 64 -14.273 0.719 -6.968 1.00 0.00 O ATOM 945 CB VAL A 64 -12.228 1.714 -9.134 1.00 0.00 C ATOM 946 CG1 VAL A 64 -11.589 1.699 -7.754 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.200 1.409 -10.212 1.00 0.00 C ATOM 0 HA VAL A 64 -13.009 -0.294 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.622 2.714 -9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.768 2.416 -7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.334 1.969 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.206 0.701 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.384 2.129 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.807 0.403 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.671 1.476 -11.193 1.00 0.00 H new ATOM 957 N ASN A 65 -15.474 1.771 -8.554 1.00 0.00 N ATOM 958 CA ASN A 65 -16.532 2.179 -7.636 1.00 0.00 C ATOM 959 C ASN A 65 -17.443 1.003 -7.298 1.00 0.00 C ATOM 960 O ASN A 65 -18.086 0.985 -6.249 1.00 0.00 O ATOM 961 CB ASN A 65 -17.352 3.317 -8.247 1.00 0.00 C ATOM 962 CG ASN A 65 -17.425 4.529 -7.339 1.00 0.00 C ATOM 963 OD1 ASN A 65 -18.253 4.590 -6.430 1.00 0.00 O ATOM 964 ND2 ASN A 65 -16.556 5.503 -7.582 1.00 0.00 N ATOM 0 H ASN A 65 -15.615 2.069 -9.519 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.066 2.529 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.911 3.607 -9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.361 2.962 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.558 6.344 -7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.887 5.410 -8.346 1.00 0.00 H new ATOM 971 N ASN A 66 -17.492 0.023 -8.194 1.00 0.00 N ATOM 972 CA ASN A 66 -18.324 -1.157 -7.991 1.00 0.00 C ATOM 973 C ASN A 66 -17.586 -2.208 -7.167 1.00 0.00 C ATOM 974 O ASN A 66 -18.206 -3.060 -6.530 1.00 0.00 O ATOM 975 CB ASN A 66 -18.742 -1.749 -9.338 1.00 0.00 C ATOM 976 CG ASN A 66 -20.250 -1.843 -9.485 1.00 0.00 C ATOM 977 OD1 ASN A 66 -20.849 -1.137 -10.295 1.00 0.00 O ATOM 978 ND2 ASN A 66 -20.867 -2.718 -8.702 1.00 0.00 N ATOM 0 H ASN A 66 -16.965 0.023 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 66 -19.216 -0.853 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.339 -1.134 -10.143 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -18.306 -2.742 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.880 -2.826 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -20.329 -3.283 -8.045 1.00 0.00 H new ATOM 985 N TRP A 67 -16.260 -2.141 -7.185 1.00 0.00 N ATOM 986 CA TRP A 67 -15.438 -3.085 -6.438 1.00 0.00 C ATOM 987 C TRP A 67 -15.871 -3.151 -4.977 1.00 0.00 C ATOM 988 O TRP A 67 -16.688 -2.349 -4.528 1.00 0.00 O ATOM 989 CB TRP A 67 -13.962 -2.691 -6.529 1.00 0.00 C ATOM 990 CG TRP A 67 -13.372 -2.909 -7.887 1.00 0.00 C ATOM 991 CD1 TRP A 67 -14.051 -3.082 -9.060 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.979 -2.980 -8.216 1.00 0.00 C ATOM 993 NE1 TRP A 67 -13.166 -3.256 -10.096 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.889 -3.196 -9.605 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.801 -2.879 -7.471 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.666 -3.314 -10.260 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.588 -2.997 -8.124 1.00 0.00 C ATOM 998 CH2 TRP A 67 -9.529 -3.213 -9.508 1.00 0.00 C ATOM 0 H TRP A 67 -15.731 -1.443 -7.708 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.572 -4.072 -6.880 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.857 -1.640 -6.260 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.394 -3.266 -5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -15.127 -3.082 -9.158 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -13.419 -3.406 -11.073 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.837 -2.712 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -10.617 -3.480 -11.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.671 -2.922 -7.559 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.566 -3.301 -9.989 1.00 0.00 H new ATOM 1009 N MET A 68 -15.319 -4.111 -4.244 1.00 0.00 N ATOM 1010 CA MET A 68 -15.649 -4.278 -2.833 1.00 0.00 C ATOM 1011 C MET A 68 -15.104 -3.118 -2.006 1.00 0.00 C ATOM 1012 O MET A 68 -15.827 -2.516 -1.209 1.00 0.00 O ATOM 1013 CB MET A 68 -15.086 -5.601 -2.308 1.00 0.00 C ATOM 1014 CG MET A 68 -16.143 -6.519 -1.717 1.00 0.00 C ATOM 1015 SD MET A 68 -15.528 -8.189 -1.425 1.00 0.00 S ATOM 1016 CE MET A 68 -15.072 -8.678 -3.087 1.00 0.00 C ATOM 0 H MET A 68 -14.642 -4.785 -4.602 1.00 0.00 H new ATOM 0 HA MET A 68 -16.735 -4.290 -2.739 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.580 -6.120 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.334 -5.390 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.500 -6.098 -0.777 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.998 -6.564 -2.391 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.084 -9.765 -3.163 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.783 -8.257 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.071 -8.310 -3.313 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.827 -2.807 -2.198 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.185 -1.718 -1.472 1.00 0.00 C ATOM 1028 C LYS A 69 -13.167 -2.000 0.027 1.00 0.00 C ATOM 1029 O LYS A 69 -13.919 -2.843 0.520 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.911 -0.399 -1.743 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.113 -0.109 -3.220 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.577 0.142 -3.545 1.00 0.00 C ATOM 1033 CE LYS A 69 -15.940 1.609 -3.385 1.00 0.00 C ATOM 1034 NZ LYS A 69 -17.380 1.790 -3.052 1.00 0.00 N ATOM 0 H LYS A 69 -13.215 -3.295 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.156 -1.639 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.883 -0.420 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.344 0.417 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.522 0.761 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.747 -0.950 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.783 -0.175 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.205 -0.463 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.327 2.051 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.710 2.143 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.588 2.804 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.965 1.391 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.594 1.302 -2.159 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.306 -1.289 0.749 1.00 0.00 N ATOM 1049 CA HIS A 70 -12.193 -1.463 2.192 1.00 0.00 C ATOM 1050 C HIS A 70 -12.066 -0.114 2.893 1.00 0.00 C ATOM 1051 O HIS A 70 -12.166 0.937 2.261 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.985 -2.340 2.529 1.00 0.00 C ATOM 1053 CG HIS A 70 -11.307 -3.474 3.453 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -12.446 -4.241 3.335 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -10.630 -3.970 4.515 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -12.457 -5.158 4.285 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -11.364 -5.016 5.014 1.00 0.00 N ATOM 0 H HIS A 70 -11.677 -0.588 0.358 1.00 0.00 H new ATOM 0 HA HIS A 70 -13.100 -1.954 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.569 -2.742 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.212 -1.720 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.687 -3.609 4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.228 -5.898 4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.108 -5.591 5.817 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.850 -0.153 4.204 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.712 1.068 4.991 1.00 0.00 C ATOM 1067 C ASN A 71 -10.399 1.070 5.767 1.00 0.00 C ATOM 1068 O ASN A 71 -9.838 0.014 6.062 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.889 1.211 5.958 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.071 2.636 6.441 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -12.574 3.014 7.503 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -13.787 3.438 5.661 1.00 0.00 N ATOM 0 H ASN A 71 -11.767 -1.015 4.743 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.709 1.915 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.803 0.878 5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.732 0.557 6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.943 4.408 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.181 3.084 4.789 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.913 2.264 6.096 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.666 2.404 6.838 1.00 0.00 C ATOM 1081 C VAL A 72 -8.681 3.659 7.703 1.00 0.00 C ATOM 1082 O VAL A 72 -9.232 4.688 7.313 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.453 2.458 5.892 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.166 2.640 6.683 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.388 1.203 5.035 1.00 0.00 C ATOM 0 H VAL A 72 -10.365 3.148 5.860 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.577 1.526 7.478 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.569 3.316 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.319 2.676 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.215 3.571 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.040 1.804 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.524 1.259 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.296 0.328 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.297 1.122 4.439 1.00 0.00 H new ATOM 1095 N ALA A 73 -8.069 3.567 8.879 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.008 4.697 9.799 1.00 0.00 C ATOM 1097 C ALA A 73 -6.564 5.050 10.142 1.00 0.00 C ATOM 1098 O ALA A 73 -6.155 4.977 11.300 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.793 4.389 11.065 1.00 0.00 C ATOM 0 H ALA A 73 -7.608 2.722 9.217 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.457 5.559 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.739 5.241 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.834 4.194 10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.369 3.511 11.552 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.796 5.430 9.126 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.397 5.793 9.321 1.00 0.00 C ATOM 1107 C ASP A 74 -3.651 4.700 10.079 1.00 0.00 C ATOM 1108 O ASP A 74 -3.138 4.932 11.174 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.293 7.119 10.077 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.944 7.785 9.893 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.393 7.713 8.775 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.440 8.381 10.867 1.00 0.00 O ATOM 0 H ASP A 74 -6.118 5.495 8.160 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.937 5.906 8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.078 7.793 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.467 6.943 11.139 1.00 0.00 H new ATOM 1117 N SER A 75 -3.599 3.509 9.492 1.00 0.00 N ATOM 1118 CA SER A 75 -2.921 2.379 10.115 1.00 0.00 C ATOM 1119 C SER A 75 -1.729 1.930 9.275 1.00 0.00 C ATOM 1120 O SER A 75 -0.784 1.332 9.790 1.00 0.00 O ATOM 1121 CB SER A 75 -3.895 1.214 10.303 1.00 0.00 C ATOM 1122 OG SER A 75 -4.403 1.183 11.626 1.00 0.00 O ATOM 0 H SER A 75 -4.018 3.302 8.586 1.00 0.00 H new ATOM 0 HA SER A 75 -2.555 2.699 11.091 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.719 1.307 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.390 0.274 10.082 1.00 0.00 H new ATOM 0 HG SER A 75 -5.024 0.431 11.720 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.781 2.224 7.980 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.707 1.850 7.068 1.00 0.00 C ATOM 1130 C GLN A 76 -0.569 0.334 6.982 1.00 0.00 C ATOM 1131 O GLN A 76 0.465 -0.181 6.552 1.00 0.00 O ATOM 1132 CB GLN A 76 0.615 2.470 7.523 1.00 0.00 C ATOM 1133 CG GLN A 76 1.043 3.669 6.692 1.00 0.00 C ATOM 1134 CD GLN A 76 2.250 4.380 7.270 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.167 5.540 7.673 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.382 3.686 7.316 1.00 0.00 N ATOM 0 H GLN A 76 -2.555 2.720 7.539 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.956 2.230 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.524 2.775 8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.396 1.711 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.271 3.340 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.213 4.371 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.406 2.726 6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.227 4.113 7.696 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.613 -0.375 7.396 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.607 -1.833 7.364 1.00 0.00 C ATOM 1147 C ILE A 77 -3.015 -2.392 7.547 1.00 0.00 C ATOM 1148 O ILE A 77 -3.762 -1.949 8.421 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.689 -2.416 8.454 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.542 -3.927 8.273 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.236 -2.092 9.836 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.440 -4.559 9.235 1.00 0.00 C ATOM 0 H ILE A 77 -2.474 0.036 7.758 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.226 -2.126 6.386 1.00 0.00 H new ATOM 0 HB ILE A 77 0.297 -1.961 8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.517 -4.397 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.221 -4.133 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.576 -2.511 10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.293 -1.011 9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.232 -2.522 9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.493 -5.632 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.426 -4.117 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.110 -4.385 10.259 1.00 0.00 H new ATOM 1164 N THR A 78 -3.370 -3.369 6.721 1.00 0.00 N ATOM 1165 CA THR A 78 -4.687 -3.990 6.791 1.00 0.00 C ATOM 1166 C THR A 78 -4.612 -5.476 6.459 1.00 0.00 C ATOM 1167 O THR A 78 -3.734 -5.914 5.714 1.00 0.00 O ATOM 1168 CB THR A 78 -5.681 -3.311 5.831 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.003 -3.811 6.060 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.286 -3.553 4.382 1.00 0.00 C ATOM 0 H THR A 78 -2.763 -3.749 5.994 1.00 0.00 H new ATOM 0 HA THR A 78 -5.040 -3.866 7.815 1.00 0.00 H new ATOM 0 HB THR A 78 -5.661 -2.238 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.629 -3.373 5.447 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.003 -3.064 3.723 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.291 -3.145 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.280 -4.624 4.180 1.00 0.00 H new ATOM 1178 N THR A 79 -5.539 -6.250 7.016 1.00 0.00 N ATOM 1179 CA THR A 79 -5.578 -7.687 6.780 1.00 0.00 C ATOM 1180 C THR A 79 -6.939 -8.121 6.248 1.00 0.00 C ATOM 1181 O THR A 79 -7.958 -7.969 6.926 1.00 0.00 O ATOM 1182 CB THR A 79 -5.267 -8.477 8.065 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.678 -7.726 9.213 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.780 -8.786 8.162 1.00 0.00 C ATOM 0 H THR A 79 -6.273 -5.904 7.634 1.00 0.00 H new ATOM 0 HA THR A 79 -4.813 -7.904 6.034 1.00 0.00 H new ATOM 0 HB THR A 79 -5.817 -9.417 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.479 -8.236 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.583 -9.344 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.475 -9.381 7.301 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.215 -7.854 8.177 1.00 0.00 H new ATOM 1192 N ILE A 80 -6.952 -8.659 5.034 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.189 -9.116 4.414 1.00 0.00 C ATOM 1194 C ILE A 80 -8.266 -10.639 4.396 1.00 0.00 C ATOM 1195 O ILE A 80 -7.258 -11.319 4.209 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.325 -8.589 2.973 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.286 -7.059 2.961 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.613 -9.097 2.343 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.184 -6.469 1.572 1.00 0.00 C ATOM 0 H ILE A 80 -6.119 -8.789 4.460 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.008 -8.721 5.016 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.485 -8.960 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.185 -6.677 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.437 -6.720 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.695 -8.716 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.603 -10.187 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.465 -8.753 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.161 -5.381 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.271 -6.822 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.046 -6.778 0.981 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.470 -11.168 4.589 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.657 -12.608 4.589 1.00 0.00 C ATOM 1213 C GLY A 81 -11.005 -13.017 4.029 1.00 0.00 C ATOM 1214 O GLY A 81 -11.672 -12.228 3.362 1.00 0.00 O ATOM 0 H GLY A 81 -10.320 -10.626 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.866 -13.074 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.561 -12.984 5.608 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.403 -14.255 4.299 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.680 -14.769 3.815 1.00 0.00 C ATOM 1220 C ASN A 82 -12.704 -14.816 2.291 1.00 0.00 C ATOM 1221 O ASN A 82 -13.763 -14.694 1.672 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.830 -13.903 4.330 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.181 -14.567 4.145 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.987 -14.141 3.318 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -15.434 -15.617 4.917 1.00 0.00 N ATOM 0 H ASN A 82 -10.861 -14.921 4.850 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.803 -15.784 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.675 -13.689 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.824 -12.947 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.326 -16.105 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.736 -15.936 5.589 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.532 -14.992 1.690 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.420 -15.055 0.237 1.00 0.00 C ATOM 1234 C LEU A 83 -11.416 -16.500 -0.247 1.00 0.00 C ATOM 1235 O LEU A 83 -11.681 -17.425 0.523 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.145 -14.348 -0.226 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.804 -13.040 0.491 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.377 -12.615 0.178 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.786 -11.945 0.099 1.00 0.00 C ATOM 0 H LEU A 83 -10.647 -15.094 2.186 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.286 -14.550 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.308 -15.035 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.235 -14.142 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.885 -13.206 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.153 -11.683 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.686 -13.390 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.269 -12.467 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.528 -11.022 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.738 -11.781 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.796 -12.247 0.375 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.113 -16.690 -1.528 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.072 -18.024 -2.114 1.00 0.00 C ATOM 1253 C VAL A 84 -9.681 -18.347 -2.647 1.00 0.00 C ATOM 1254 O VAL A 84 -9.054 -17.548 -3.342 1.00 0.00 O ATOM 1255 CB VAL A 84 -12.094 -18.167 -3.257 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.836 -17.127 -4.337 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -12.052 -19.573 -3.838 1.00 0.00 C ATOM 0 H VAL A 84 -10.892 -15.936 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.326 -18.726 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.092 -17.996 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.568 -17.243 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.922 -16.128 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.833 -17.263 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.781 -19.655 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.055 -19.776 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.290 -20.296 -3.058 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.185 -19.550 -2.317 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.863 -20.006 -2.754 1.00 0.00 C ATOM 1269 C PRO A 85 -7.813 -20.288 -4.251 1.00 0.00 C ATOM 1270 O PRO A 85 -8.841 -20.538 -4.879 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.654 -21.299 -1.960 1.00 0.00 C ATOM 1272 CG PRO A 85 -9.030 -21.785 -1.659 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.877 -20.553 -1.491 1.00 0.00 C ATOM 0 HA PRO A 85 -7.094 -19.253 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.093 -22.033 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.090 -21.115 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.408 -22.411 -2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.040 -22.392 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.899 -20.718 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.935 -20.244 -0.447 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.611 -20.249 -4.817 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.426 -20.501 -6.241 1.00 0.00 C ATOM 1283 C GLN A 86 -7.251 -19.527 -7.075 1.00 0.00 C ATOM 1284 O GLN A 86 -7.962 -19.928 -7.996 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.819 -21.940 -6.581 1.00 0.00 C ATOM 1286 CG GLN A 86 -6.195 -22.975 -5.658 1.00 0.00 C ATOM 1287 CD GLN A 86 -6.365 -24.391 -6.171 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -7.346 -24.707 -6.846 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -5.409 -25.255 -5.851 1.00 0.00 N ATOM 0 H GLN A 86 -5.750 -20.045 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.372 -20.354 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.904 -22.032 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.524 -22.156 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.133 -22.760 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.647 -22.894 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.613 -24.951 -5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.470 -26.223 -6.166 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.149 -18.243 -6.749 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.884 -17.209 -7.468 1.00 0.00 C ATOM 1300 C LYS A 87 -7.154 -15.871 -7.394 1.00 0.00 C ATOM 1301 O LYS A 87 -6.845 -15.380 -6.309 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.295 -17.065 -6.895 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.186 -18.264 -7.162 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.396 -18.483 -8.651 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.865 -18.372 -9.029 1.00 0.00 C ATOM 1306 NZ LYS A 87 -12.044 -18.027 -10.467 1.00 0.00 N ATOM 0 H LYS A 87 -6.564 -17.893 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.953 -17.508 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.226 -16.907 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.761 -16.175 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.739 -19.155 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.150 -18.117 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.818 -17.749 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.020 -19.467 -8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.367 -19.316 -8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.342 -17.612 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.059 -17.961 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.587 -17.114 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.611 -18.765 -11.058 1.00 0.00 H new ATOM 1320 N THR A 88 -6.882 -15.285 -8.556 1.00 0.00 N ATOM 1321 CA THR A 88 -6.190 -14.005 -8.623 1.00 0.00 C ATOM 1322 C THR A 88 -7.005 -12.904 -7.956 1.00 0.00 C ATOM 1323 O THR A 88 -8.232 -12.877 -8.060 1.00 0.00 O ATOM 1324 CB THR A 88 -5.895 -13.600 -10.080 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.175 -14.645 -10.743 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.091 -12.310 -10.131 1.00 0.00 C ATOM 0 H THR A 88 -7.131 -15.678 -9.464 1.00 0.00 H new ATOM 0 HA THR A 88 -5.247 -14.128 -8.091 1.00 0.00 H new ATOM 0 HB THR A 88 -6.845 -13.436 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.993 -14.380 -11.669 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.895 -12.044 -11.170 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.656 -11.510 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.145 -12.450 -9.608 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.316 -11.996 -7.273 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.979 -10.891 -6.587 1.00 0.00 C ATOM 1336 C TYR A 89 -6.158 -9.611 -6.699 1.00 0.00 C ATOM 1337 O TYR A 89 -4.965 -9.595 -6.392 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.203 -11.239 -5.116 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.605 -11.718 -4.814 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.672 -10.828 -4.780 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.864 -13.060 -4.562 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.955 -11.262 -4.504 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -10.143 -13.502 -4.286 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.185 -12.599 -4.259 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.462 -13.035 -3.984 1.00 0.00 O ATOM 0 H TYR A 89 -5.300 -12.003 -7.179 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.944 -10.725 -7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.493 -12.012 -4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.989 -10.361 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.496 -9.780 -4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.050 -13.770 -4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.773 -10.557 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.326 -14.549 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.106 -12.510 -4.503 1.00 0.00 H new ATOM 1355 N SER A 90 -6.805 -8.537 -7.141 1.00 0.00 N ATOM 1356 CA SER A 90 -6.136 -7.251 -7.296 1.00 0.00 C ATOM 1357 C SER A 90 -6.183 -6.453 -5.997 1.00 0.00 C ATOM 1358 O SER A 90 -7.057 -6.664 -5.156 1.00 0.00 O ATOM 1359 CB SER A 90 -6.785 -6.447 -8.424 1.00 0.00 C ATOM 1360 OG SER A 90 -6.694 -7.137 -9.660 1.00 0.00 O ATOM 0 H SER A 90 -7.792 -8.532 -7.398 1.00 0.00 H new ATOM 0 HA SER A 90 -5.093 -7.441 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.832 -6.259 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.298 -5.476 -8.509 1.00 0.00 H new ATOM 0 HG SER A 90 -7.117 -6.603 -10.365 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.235 -5.535 -5.839 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.166 -4.704 -4.643 1.00 0.00 C ATOM 1368 C VAL A 91 -4.624 -3.317 -4.966 1.00 0.00 C ATOM 1369 O VAL A 91 -3.699 -3.172 -5.768 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.282 -5.350 -3.560 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -4.284 -4.507 -2.294 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.748 -6.767 -3.266 1.00 0.00 C ATOM 0 H VAL A 91 -4.504 -5.348 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.184 -4.613 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.259 -5.398 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.654 -4.980 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.897 -3.513 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.302 -4.423 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.112 -7.207 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.779 -6.745 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.688 -7.366 -4.175 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.202 -2.299 -4.339 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.774 -0.922 -4.559 1.00 0.00 C ATOM 1384 C LYS A 92 -4.891 -0.105 -3.275 1.00 0.00 C ATOM 1385 O LYS A 92 -5.689 -0.425 -2.393 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.614 -0.277 -5.664 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.545 -1.015 -6.989 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.474 -0.397 -8.020 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.775 0.694 -8.817 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.577 1.120 -9.997 1.00 0.00 N ATOM 0 H LYS A 92 -5.969 -2.401 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.728 -0.936 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.653 -0.229 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.279 0.750 -5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.521 -0.998 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.812 -2.061 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.833 -1.171 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.348 0.020 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.592 1.554 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.802 0.333 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.356 2.109 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.347 0.514 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.590 1.034 -9.778 1.00 0.00 H new ATOM 1404 N VAL A 93 -4.091 0.953 -3.177 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.106 1.816 -2.003 1.00 0.00 C ATOM 1406 C VAL A 93 -3.849 3.269 -2.387 1.00 0.00 C ATOM 1407 O VAL A 93 -3.077 3.553 -3.304 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.054 1.376 -0.968 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.210 2.165 0.321 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.160 -0.119 -0.705 1.00 0.00 C ATOM 0 H VAL A 93 -3.425 1.232 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.098 1.730 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.063 1.582 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.458 1.840 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.080 3.227 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.204 1.994 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.410 -0.413 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.153 -0.351 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.993 -0.665 -1.634 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.500 4.186 -1.679 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.342 5.612 -1.945 1.00 0.00 C ATOM 1422 C LEU A 94 -4.393 6.416 -0.650 1.00 0.00 C ATOM 1423 O LEU A 94 -4.755 5.891 0.404 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.432 6.097 -2.903 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.790 6.409 -2.271 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.861 7.869 -1.855 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.917 6.072 -3.237 1.00 0.00 C ATOM 0 H LEU A 94 -5.142 3.968 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.367 5.764 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.073 6.995 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.577 5.338 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.906 5.792 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.834 8.073 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.076 8.079 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.724 8.504 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.876 6.300 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.806 6.663 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.878 5.012 -3.486 1.00 0.00 H new ATOM 1439 N ALA A 95 -4.030 7.692 -0.736 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.039 8.569 0.428 1.00 0.00 C ATOM 1441 C ALA A 95 -5.023 9.718 0.242 1.00 0.00 C ATOM 1442 O ALA A 95 -5.184 10.237 -0.864 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.640 9.107 0.693 1.00 0.00 C ATOM 0 H ALA A 95 -3.726 8.141 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.362 7.985 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.661 9.761 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.960 8.276 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.296 9.670 -0.175 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.678 10.112 1.328 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.648 11.199 1.284 1.00 0.00 C ATOM 1451 C PHE A 96 -6.611 12.014 2.574 1.00 0.00 C ATOM 1452 O PHE A 96 -6.392 11.474 3.658 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.057 10.646 1.058 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.618 9.926 2.251 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.298 10.619 3.239 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.463 8.555 2.385 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.815 9.959 4.338 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.978 7.890 3.482 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.654 8.593 4.460 1.00 0.00 C ATOM 0 H PHE A 96 -5.555 9.694 2.250 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.384 11.853 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.723 11.468 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -8.039 9.964 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.426 11.688 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.934 8.000 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.344 10.511 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.852 6.821 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.056 8.075 5.318 1.00 0.00 H new ATOM 1469 N THR A 97 -6.828 13.319 2.448 1.00 0.00 N ATOM 1470 CA THR A 97 -6.818 14.211 3.602 1.00 0.00 C ATOM 1471 C THR A 97 -8.127 14.984 3.712 1.00 0.00 C ATOM 1472 O THR A 97 -9.007 14.857 2.859 1.00 0.00 O ATOM 1473 CB THR A 97 -5.649 15.211 3.528 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.728 15.969 2.316 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.312 14.488 3.592 1.00 0.00 C ATOM 0 H THR A 97 -7.013 13.783 1.558 1.00 0.00 H new ATOM 0 HA THR A 97 -6.695 13.584 4.485 1.00 0.00 H new ATOM 0 HB THR A 97 -5.722 15.883 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.982 16.604 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.502 15.215 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.242 13.936 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.233 13.794 2.755 1.00 0.00 H new ATOM 1483 N SER A 98 -8.250 15.784 4.765 1.00 0.00 N ATOM 1484 CA SER A 98 -9.454 16.575 4.988 1.00 0.00 C ATOM 1485 C SER A 98 -9.761 17.449 3.776 1.00 0.00 C ATOM 1486 O SER A 98 -10.914 17.807 3.532 1.00 0.00 O ATOM 1487 CB SER A 98 -9.294 17.448 6.233 1.00 0.00 C ATOM 1488 OG SER A 98 -10.270 18.476 6.266 1.00 0.00 O ATOM 0 H SER A 98 -7.530 15.902 5.478 1.00 0.00 H new ATOM 0 HA SER A 98 -10.287 15.888 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.381 16.831 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.297 17.889 6.246 1.00 0.00 H new ATOM 0 HG SER A 98 -10.146 19.019 7.073 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.723 17.788 3.020 1.00 0.00 N ATOM 1495 CA ILE A 99 -8.881 18.620 1.834 1.00 0.00 C ATOM 1496 C ILE A 99 -9.543 17.842 0.701 1.00 0.00 C ATOM 1497 O ILE A 99 -10.576 18.252 0.174 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.525 19.165 1.344 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.829 19.942 2.461 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.721 20.047 0.119 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.583 21.178 2.899 1.00 0.00 C ATOM 0 H ILE A 99 -7.763 17.499 3.208 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.519 19.457 2.118 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.891 18.324 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.695 19.285 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.834 20.234 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.755 20.425 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.179 19.464 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.370 20.885 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.030 21.679 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.695 21.855 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.568 20.892 3.267 1.00 0.00 H new ATOM 1513 N GLY A 100 -8.941 16.714 0.335 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.488 15.895 -0.731 1.00 0.00 C ATOM 1515 C GLY A 100 -8.843 14.525 -0.799 1.00 0.00 C ATOM 1516 O GLY A 100 -8.275 14.049 0.184 1.00 0.00 O ATOM 0 H GLY A 100 -8.085 16.353 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.562 15.781 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.351 16.406 -1.684 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.930 13.889 -1.962 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.350 12.565 -2.154 1.00 0.00 C ATOM 1522 C ASP A 101 -7.070 12.647 -2.979 1.00 0.00 C ATOM 1523 O ASP A 101 -6.774 13.676 -3.584 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.355 11.639 -2.840 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.123 12.336 -3.946 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -11.191 12.913 -3.655 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -9.655 12.304 -5.103 1.00 0.00 O ATOM 0 H ASP A 101 -9.396 14.269 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.103 12.158 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.829 10.779 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.057 11.257 -2.099 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.312 11.553 -2.998 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.072 11.523 -3.751 1.00 0.00 C ATOM 1534 C GLY A 102 -5.053 10.421 -4.792 1.00 0.00 C ATOM 1535 O GLY A 102 -5.950 9.580 -4.853 1.00 0.00 O ATOM 0 H GLY A 102 -6.535 10.688 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.925 12.485 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.237 11.385 -3.064 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.011 10.418 -5.636 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.855 9.418 -6.695 1.00 0.00 C ATOM 1541 C PRO A 103 -3.536 8.033 -6.143 1.00 0.00 C ATOM 1542 O PRO A 103 -2.831 7.900 -5.142 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.674 9.950 -7.514 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.896 10.786 -6.559 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.905 11.390 -5.620 1.00 0.00 C ATOM 0 HA PRO A 103 -4.771 9.291 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.069 9.135 -7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.016 10.537 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.169 10.183 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.338 11.562 -7.084 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.496 11.516 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.230 12.374 -5.958 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.059 7.003 -6.801 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.831 5.627 -6.375 1.00 0.00 C ATOM 1555 C LEU A 104 -2.412 5.182 -6.713 1.00 0.00 C ATOM 1556 O LEU A 104 -1.658 5.910 -7.360 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.842 4.692 -7.039 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.286 4.803 -6.543 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.251 4.853 -7.716 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.622 3.639 -5.622 1.00 0.00 C ATOM 0 H LEU A 104 -4.644 7.096 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.960 5.581 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.832 4.882 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.507 3.665 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.387 5.730 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.272 4.932 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.023 5.719 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.150 3.944 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.652 3.733 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.504 2.701 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.951 3.649 -4.763 1.00 0.00 H new ATOM 1572 N SER A 105 -2.054 3.979 -6.271 1.00 0.00 N ATOM 1573 CA SER A 105 -0.724 3.437 -6.525 1.00 0.00 C ATOM 1574 C SER A 105 -0.759 2.424 -7.666 1.00 0.00 C ATOM 1575 O SER A 105 -1.785 2.249 -8.324 1.00 0.00 O ATOM 1576 CB SER A 105 -0.168 2.779 -5.261 1.00 0.00 C ATOM 1577 OG SER A 105 -0.996 1.711 -4.836 1.00 0.00 O ATOM 0 H SER A 105 -2.666 3.363 -5.736 1.00 0.00 H new ATOM 0 HA SER A 105 -0.072 4.261 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.839 2.408 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.089 3.520 -4.466 1.00 0.00 H new ATOM 0 HG SER A 105 -1.661 2.046 -4.198 1.00 0.00 H new ATOM 1583 N SER A 106 0.368 1.759 -7.893 1.00 0.00 N ATOM 1584 CA SER A 106 0.469 0.765 -8.955 1.00 0.00 C ATOM 1585 C SER A 106 -0.429 -0.434 -8.666 1.00 0.00 C ATOM 1586 O SER A 106 -0.428 -0.969 -7.557 1.00 0.00 O ATOM 1587 CB SER A 106 1.920 0.304 -9.116 1.00 0.00 C ATOM 1588 OG SER A 106 2.812 1.202 -8.482 1.00 0.00 O ATOM 0 H SER A 106 1.225 1.890 -7.356 1.00 0.00 H new ATOM 0 HA SER A 106 0.138 1.228 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.038 -0.692 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.166 0.229 -10.175 1.00 0.00 H new ATOM 0 HG SER A 106 3.732 0.885 -8.597 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.192 -0.849 -9.669 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.095 -1.985 -9.525 1.00 0.00 C ATOM 1596 C ASP A 107 -1.314 -3.271 -9.275 1.00 0.00 C ATOM 1597 O ASP A 107 -0.709 -3.829 -10.192 1.00 0.00 O ATOM 1598 CB ASP A 107 -2.964 -2.135 -10.773 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.762 -0.883 -11.078 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -3.140 0.174 -11.321 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -5.008 -0.957 -11.077 1.00 0.00 O ATOM 0 H ASP A 107 -1.204 -0.416 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.739 -1.799 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.330 -2.375 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.647 -2.974 -10.638 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.329 -3.735 -8.031 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.623 -4.956 -7.662 1.00 0.00 C ATOM 1608 C ILE A 108 -1.571 -6.148 -7.615 1.00 0.00 C ATOM 1609 O ILE A 108 -2.763 -5.994 -7.348 1.00 0.00 O ATOM 1610 CB ILE A 108 0.072 -4.813 -6.294 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.958 -4.505 -5.205 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.133 -3.723 -6.352 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.417 -4.662 -3.801 1.00 0.00 C ATOM 0 H ILE A 108 -1.822 -3.284 -7.261 1.00 0.00 H new ATOM 0 HA ILE A 108 0.132 -5.127 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 108 0.560 -5.756 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.318 -3.485 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.817 -5.165 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.616 -3.633 -5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.878 -3.981 -7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.666 -2.774 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.201 -4.428 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.083 -5.689 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.423 -3.983 -3.657 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.034 -7.336 -7.875 1.00 0.00 N ATOM 1626 CA GLN A 109 -1.834 -8.554 -7.861 1.00 0.00 C ATOM 1627 C GLN A 109 -1.160 -9.639 -7.027 1.00 0.00 C ATOM 1628 O GLN A 109 0.063 -9.650 -6.876 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.059 -9.059 -9.287 1.00 0.00 C ATOM 1630 CG GLN A 109 -2.707 -8.030 -10.201 1.00 0.00 C ATOM 1631 CD GLN A 109 -2.352 -8.239 -11.659 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -1.606 -9.156 -12.004 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -2.884 -7.386 -12.526 1.00 0.00 N ATOM 0 H GLN A 109 -0.049 -7.480 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.798 -8.319 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.102 -9.359 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.686 -9.950 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.790 -8.077 -10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.396 -7.031 -9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.497 -6.640 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.680 -7.476 -13.521 1.00 0.00 H new ATOM 1642 N VAL A 110 -1.963 -10.549 -6.486 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.443 -11.638 -5.668 1.00 0.00 C ATOM 1644 C VAL A 110 -2.394 -12.829 -5.672 1.00 0.00 C ATOM 1645 O VAL A 110 -3.600 -12.676 -5.473 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.211 -11.186 -4.214 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.496 -10.639 -3.612 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.668 -12.336 -3.380 1.00 0.00 C ATOM 0 H VAL A 110 -2.977 -10.554 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.490 -11.935 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.471 -10.386 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.312 -10.325 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.837 -9.785 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.262 -11.415 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.510 -11.999 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.383 -13.159 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.279 -12.675 -3.801 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.844 -14.017 -5.897 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.644 -15.236 -5.926 1.00 0.00 C ATOM 1660 C ILE A 111 -2.774 -15.841 -4.531 1.00 0.00 C ATOM 1661 O ILE A 111 -1.835 -15.799 -3.734 1.00 0.00 O ATOM 1662 CB ILE A 111 -2.037 -16.287 -6.874 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.950 -15.731 -8.297 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.862 -17.565 -6.848 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.570 -15.847 -8.908 1.00 0.00 C ATOM 0 H ILE A 111 -0.848 -14.162 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.632 -14.956 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.029 -16.523 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.664 -16.259 -8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.247 -14.682 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.420 -18.297 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.877 -17.968 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.881 -17.347 -7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.583 -15.433 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.145 -15.295 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.278 -16.896 -8.950 1.00 0.00 H new ATOM 1677 N THR A 112 -3.941 -16.406 -4.243 1.00 0.00 N ATOM 1678 CA THR A 112 -4.194 -17.019 -2.946 1.00 0.00 C ATOM 1679 C THR A 112 -3.741 -18.475 -2.929 1.00 0.00 C ATOM 1680 O THR A 112 -4.525 -19.382 -3.204 1.00 0.00 O ATOM 1681 CB THR A 112 -5.687 -16.955 -2.575 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.485 -17.414 -3.672 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.093 -15.537 -2.205 1.00 0.00 C ATOM 0 H THR A 112 -4.727 -16.452 -4.891 1.00 0.00 H new ATOM 0 HA THR A 112 -3.620 -16.453 -2.212 1.00 0.00 H new ATOM 0 HB THR A 112 -5.851 -17.600 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.426 -17.195 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.152 -15.517 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.505 -15.201 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.914 -14.875 -3.052 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.470 -18.690 -2.604 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.913 -20.037 -2.552 1.00 0.00 C ATOM 1693 C GLN A 113 -0.909 -20.167 -1.411 1.00 0.00 C ATOM 1694 O GLN A 113 -0.139 -21.126 -1.353 1.00 0.00 O ATOM 1695 CB GLN A 113 -1.239 -20.385 -3.880 1.00 0.00 C ATOM 1696 CG GLN A 113 -0.010 -19.542 -4.179 1.00 0.00 C ATOM 1697 CD GLN A 113 0.564 -19.813 -5.557 1.00 0.00 C ATOM 1698 OE1 GLN A 113 -0.172 -20.089 -6.504 1.00 0.00 O ATOM 1699 NE2 GLN A 113 1.883 -19.734 -5.675 1.00 0.00 N ATOM 0 H GLN A 113 -1.807 -17.950 -2.373 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.732 -20.734 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.953 -21.437 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.960 -20.260 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -0.270 -18.487 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.753 -19.740 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.455 -19.502 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.325 -19.905 -6.578 1.00 0.00 H new