USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=26 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 169:sc= -0.22 (180deg=-0.712) USER MOD Set 1.2: A 89 TYR OH : rot 15:sc= -0.0141 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 MET CE :methyl -126:sc= -1.33 (180deg=-2.92!) USER MOD Set 3.1: A 56 TYR OH : rot -4:sc= 0.281 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.0967 K(o=0.18,f=-0.7) USER MOD Set 3.3: A 78 THR OG1 : rot 140:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -52:sc= 0.902 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 29 MET CE :methyl 164:sc= -6.08! (180deg=-6.96!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0828 USER MOD Single : A 38 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.7) USER MOD Single : A 48 GLN : amide:sc=-0.00395 X(o=-0.0039,f=-0.3) USER MOD Single : A 50 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.052) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.861 USER MOD Single : A 55 TYR OH : 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 69 LYS NZ :NH3+ 157:sc=-0.00962 (180deg=-0.539) USER MOD Single : A 71 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.99) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 43:sc= 0.0419 USER MOD Single : A 82 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.1) 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 -150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= 0.493 (180deg=0.0126) USER MOD Single : A 97 THR OG1 : rot 150:sc= -1.26 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0984 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.1!) USER MOD Single : A 112 THR OG1 : rot 160:sc= 1.8 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.903 21.338 1.443 1.00 0.00 N ATOM 187 CA GLN A 16 -4.488 20.775 0.232 1.00 0.00 C ATOM 188 C GLN A 16 -4.527 19.253 0.305 1.00 0.00 C ATOM 189 O GLN A 16 -4.139 18.658 1.310 1.00 0.00 O ATOM 190 CB GLN A 16 -3.694 21.219 -0.997 1.00 0.00 C ATOM 191 CG GLN A 16 -2.187 21.140 -0.811 1.00 0.00 C ATOM 192 CD GLN A 16 -1.423 21.681 -2.001 1.00 0.00 C ATOM 193 OE1 GLN A 16 -1.029 22.847 -2.024 1.00 0.00 O ATOM 194 NE2 GLN A 16 -1.207 20.832 -3.002 1.00 0.00 N ATOM 0 HA GLN A 16 -5.510 21.143 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.980 20.599 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.968 22.245 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.905 21.699 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.900 20.102 -0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.551 19.874 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.697 21.139 -3.830 1.00 0.00 H new ATOM 203 N ALA A 17 -4.998 18.627 -0.770 1.00 0.00 N ATOM 204 CA ALA A 17 -5.086 17.172 -0.828 1.00 0.00 C ATOM 205 C ALA A 17 -3.776 16.562 -1.314 1.00 0.00 C ATOM 206 O ALA A 17 -2.950 17.224 -1.943 1.00 0.00 O ATOM 207 CB ALA A 17 -6.235 16.749 -1.732 1.00 0.00 C ATOM 0 H ALA A 17 -5.324 19.104 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.276 16.803 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.289 15.661 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.171 17.147 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.068 17.136 -2.737 1.00 0.00 H new ATOM 213 N PRO A 18 -3.579 15.269 -1.019 1.00 0.00 N ATOM 214 CA PRO A 18 -2.370 14.542 -1.416 1.00 0.00 C ATOM 215 C PRO A 18 -2.302 14.308 -2.922 1.00 0.00 C ATOM 216 O PRO A 18 -3.294 13.931 -3.546 1.00 0.00 O ATOM 217 CB PRO A 18 -2.497 13.209 -0.674 1.00 0.00 C ATOM 218 CG PRO A 18 -3.962 13.034 -0.458 1.00 0.00 C ATOM 219 CD PRO A 18 -4.521 14.417 -0.273 1.00 0.00 C ATOM 0 HA PRO A 18 -1.464 15.096 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.082 12.389 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.957 13.230 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.425 12.536 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.156 12.414 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.534 14.497 -0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.566 14.695 0.780 1.00 0.00 H new ATOM 227 N SER A 19 -1.127 14.535 -3.500 1.00 0.00 N ATOM 228 CA SER A 19 -0.932 14.352 -4.934 1.00 0.00 C ATOM 229 C SER A 19 0.224 13.395 -5.207 1.00 0.00 C ATOM 230 O SER A 19 0.956 13.550 -6.185 1.00 0.00 O ATOM 231 CB SER A 19 -0.665 15.700 -5.608 1.00 0.00 C ATOM 232 OG SER A 19 -0.551 15.551 -7.013 1.00 0.00 O ATOM 0 H SER A 19 -0.296 14.846 -2.998 1.00 0.00 H new ATOM 0 HA SER A 19 -1.843 13.920 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.474 16.393 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.251 16.135 -5.209 1.00 0.00 H new ATOM 0 HG SER A 19 0.101 14.848 -7.216 1.00 0.00 H new ATOM 238 N SER A 20 0.381 12.404 -4.335 1.00 0.00 N ATOM 239 CA SER A 20 1.451 11.422 -4.479 1.00 0.00 C ATOM 240 C SER A 20 0.978 10.038 -4.048 1.00 0.00 C ATOM 241 O SER A 20 0.364 9.880 -2.992 1.00 0.00 O ATOM 242 CB SER A 20 2.669 11.839 -3.653 1.00 0.00 C ATOM 243 OG SER A 20 3.582 10.764 -3.514 1.00 0.00 O ATOM 0 H SER A 20 -0.218 12.259 -3.522 1.00 0.00 H new ATOM 0 HA SER A 20 1.733 11.379 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.166 12.683 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.346 12.176 -2.668 1.00 0.00 H new ATOM 0 HG SER A 20 4.353 11.056 -2.983 1.00 0.00 H new ATOM 249 N ALA A 21 1.270 9.036 -4.870 1.00 0.00 N ATOM 250 CA ALA A 21 0.876 7.664 -4.575 1.00 0.00 C ATOM 251 C ALA A 21 1.674 7.106 -3.401 1.00 0.00 C ATOM 252 O ALA A 21 2.782 7.551 -3.105 1.00 0.00 O ATOM 253 CB ALA A 21 1.058 6.785 -5.803 1.00 0.00 C ATOM 0 H ALA A 21 1.779 9.149 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.178 7.667 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.760 5.764 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.440 7.164 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.105 6.796 -6.107 1.00 0.00 H new ATOM 259 N PRO A 22 1.096 6.110 -2.713 1.00 0.00 N ATOM 260 CA PRO A 22 1.737 5.470 -1.559 1.00 0.00 C ATOM 261 C PRO A 22 2.943 4.627 -1.959 1.00 0.00 C ATOM 262 O PRO A 22 3.140 4.328 -3.136 1.00 0.00 O ATOM 263 CB PRO A 22 0.629 4.582 -0.987 1.00 0.00 C ATOM 264 CG PRO A 22 -0.267 4.301 -2.143 1.00 0.00 C ATOM 265 CD PRO A 22 -0.224 5.530 -3.008 1.00 0.00 C ATOM 0 HA PRO A 22 2.125 6.201 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.036 3.661 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.092 5.087 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.071 3.424 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.284 4.095 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.326 5.281 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.030 6.222 -2.764 1.00 0.00 H new ATOM 273 N ARG A 23 3.746 4.247 -0.971 1.00 0.00 N ATOM 274 CA ARG A 23 4.934 3.439 -1.221 1.00 0.00 C ATOM 275 C ARG A 23 4.977 2.234 -0.286 1.00 0.00 C ATOM 276 O ARG A 23 4.091 2.050 0.549 1.00 0.00 O ATOM 277 CB ARG A 23 6.197 4.283 -1.041 1.00 0.00 C ATOM 278 CG ARG A 23 6.120 5.645 -1.710 1.00 0.00 C ATOM 279 CD ARG A 23 7.481 6.093 -2.222 1.00 0.00 C ATOM 280 NE ARG A 23 7.647 5.819 -3.646 1.00 0.00 N ATOM 281 CZ ARG A 23 8.689 6.234 -4.358 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.651 6.939 -3.781 1.00 0.00 N ATOM 283 NH2 ARG A 23 8.770 5.943 -5.651 1.00 0.00 N ATOM 0 H ARG A 23 3.596 4.485 0.009 1.00 0.00 H new ATOM 0 HA ARG A 23 4.889 3.079 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.383 4.421 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.049 3.737 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.414 5.605 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.737 6.379 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.602 7.161 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.265 5.584 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 23 6.923 5.279 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.593 7.164 -2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.450 7.256 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.032 5.400 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.571 6.262 -6.196 1.00 0.00 H new ATOM 297 N ASP A 24 6.014 1.416 -0.432 1.00 0.00 N ATOM 298 CA ASP A 24 6.174 0.229 0.400 1.00 0.00 C ATOM 299 C ASP A 24 4.903 -0.616 0.391 1.00 0.00 C ATOM 300 O ASP A 24 4.588 -1.291 1.372 1.00 0.00 O ATOM 301 CB ASP A 24 6.526 0.628 1.834 1.00 0.00 C ATOM 302 CG ASP A 24 7.755 -0.095 2.350 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.767 -0.142 1.621 1.00 0.00 O ATOM 304 OD2 ASP A 24 7.703 -0.613 3.485 1.00 0.00 O ATOM 0 H ASP A 24 6.756 1.553 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 24 6.988 -0.367 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.696 1.704 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.680 0.412 2.486 1.00 0.00 H new ATOM 309 N VAL A 25 4.178 -0.573 -0.723 1.00 0.00 N ATOM 310 CA VAL A 25 2.942 -1.335 -0.859 1.00 0.00 C ATOM 311 C VAL A 25 3.217 -2.740 -1.383 1.00 0.00 C ATOM 312 O VAL A 25 3.710 -2.912 -2.497 1.00 0.00 O ATOM 313 CB VAL A 25 1.952 -0.631 -1.806 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.606 -1.340 -1.794 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.795 0.832 -1.421 1.00 0.00 C ATOM 0 H VAL A 25 4.425 -0.019 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 25 2.500 -1.402 0.135 1.00 0.00 H new ATOM 0 HB VAL A 25 2.351 -0.676 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.081 -0.829 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.735 -2.372 -2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.198 -1.328 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.092 1.314 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.418 0.901 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.762 1.331 -1.486 1.00 0.00 H new ATOM 325 N GLN A 26 2.895 -3.741 -0.570 1.00 0.00 N ATOM 326 CA GLN A 26 3.108 -5.132 -0.952 1.00 0.00 C ATOM 327 C GLN A 26 2.125 -6.051 -0.233 1.00 0.00 C ATOM 328 O GLN A 26 1.759 -5.806 0.916 1.00 0.00 O ATOM 329 CB GLN A 26 4.543 -5.555 -0.636 1.00 0.00 C ATOM 330 CG GLN A 26 5.580 -4.911 -1.542 1.00 0.00 C ATOM 331 CD GLN A 26 6.954 -5.536 -1.394 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.540 -5.522 -0.311 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.475 -6.085 -2.484 1.00 0.00 N ATOM 0 H GLN A 26 2.486 -3.615 0.356 1.00 0.00 H new ATOM 0 HA GLN A 26 2.939 -5.218 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.769 -5.300 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.621 -6.639 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.255 -4.998 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.643 -3.847 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.953 -6.073 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.397 -6.519 -2.446 1.00 0.00 H new ATOM 342 N ALA A 27 1.702 -7.107 -0.918 1.00 0.00 N ATOM 343 CA ALA A 27 0.762 -8.064 -0.343 1.00 0.00 C ATOM 344 C ALA A 27 1.412 -9.430 -0.161 1.00 0.00 C ATOM 345 O ALA A 27 1.900 -10.029 -1.120 1.00 0.00 O ATOM 346 CB ALA A 27 -0.476 -8.178 -1.221 1.00 0.00 C ATOM 0 H ALA A 27 1.994 -7.323 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 27 0.465 -7.699 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.169 -8.895 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.960 -7.204 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.187 -8.517 -2.216 1.00 0.00 H new ATOM 352 N ARG A 28 1.418 -9.918 1.075 1.00 0.00 N ATOM 353 CA ARG A 28 2.010 -11.213 1.383 1.00 0.00 C ATOM 354 C ARG A 28 0.959 -12.178 1.925 1.00 0.00 C ATOM 355 O ARG A 28 0.248 -11.864 2.879 1.00 0.00 O ATOM 356 CB ARG A 28 3.143 -11.052 2.399 1.00 0.00 C ATOM 357 CG ARG A 28 2.769 -10.191 3.595 1.00 0.00 C ATOM 358 CD ARG A 28 3.683 -10.457 4.780 1.00 0.00 C ATOM 359 NE ARG A 28 4.485 -9.286 5.127 1.00 0.00 N ATOM 360 CZ ARG A 28 5.601 -8.945 4.490 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.043 -9.682 3.479 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.275 -7.866 4.864 1.00 0.00 N ATOM 0 H ARG A 28 1.019 -9.435 1.880 1.00 0.00 H new ATOM 0 HA ARG A 28 2.415 -11.627 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.446 -12.038 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.007 -10.612 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.826 -9.138 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.736 -10.390 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.084 -10.754 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.343 -11.293 4.548 1.00 0.00 H new ATOM 0 HE ARG A 28 4.172 -8.698 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.526 -10.512 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.899 -9.418 2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.937 -7.297 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.131 -7.605 4.375 1.00 0.00 H new ATOM 376 N MET A 29 0.868 -13.352 1.309 1.00 0.00 N ATOM 377 CA MET A 29 -0.097 -14.361 1.730 1.00 0.00 C ATOM 378 C MET A 29 0.441 -15.171 2.907 1.00 0.00 C ATOM 379 O MET A 29 1.627 -15.499 2.955 1.00 0.00 O ATOM 380 CB MET A 29 -0.432 -15.296 0.565 1.00 0.00 C ATOM 381 CG MET A 29 -1.844 -15.117 0.031 1.00 0.00 C ATOM 382 SD MET A 29 -3.107 -15.503 1.260 1.00 0.00 S ATOM 383 CE MET A 29 -4.184 -16.577 0.315 1.00 0.00 C ATOM 0 H MET A 29 1.450 -13.628 0.518 1.00 0.00 H new ATOM 0 HA MET A 29 -1.005 -13.848 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.278 -15.125 -0.244 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.303 -16.329 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.973 -14.088 -0.306 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.983 -15.757 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.842 -17.121 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.784 -15.979 -0.371 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.583 -17.286 -0.254 1.00 0.00 H new ATOM 393 N LEU A 30 -0.437 -15.488 3.851 1.00 0.00 N ATOM 394 CA LEU A 30 -0.049 -16.259 5.028 1.00 0.00 C ATOM 395 C LEU A 30 -0.897 -17.520 5.156 1.00 0.00 C ATOM 396 O LEU A 30 -0.415 -18.561 5.603 1.00 0.00 O ATOM 397 CB LEU A 30 -0.188 -15.406 6.289 1.00 0.00 C ATOM 398 CG LEU A 30 0.188 -13.930 6.147 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.251 -13.146 7.374 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.685 -13.780 5.924 1.00 0.00 C ATOM 0 H LEU A 30 -1.422 -15.224 3.825 1.00 0.00 H new ATOM 0 HA LEU A 30 0.993 -16.555 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.221 -15.466 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.433 -15.845 7.070 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.331 -13.525 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.025 -12.098 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.332 -13.225 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.239 -13.551 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.934 -12.723 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.223 -14.202 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.972 -14.307 5.014 1.00 0.00 H new ATOM 412 N SER A 31 -2.162 -17.419 4.760 1.00 0.00 N ATOM 413 CA SER A 31 -3.078 -18.551 4.833 1.00 0.00 C ATOM 414 C SER A 31 -3.678 -18.854 3.463 1.00 0.00 C ATOM 415 O SER A 31 -3.211 -18.346 2.443 1.00 0.00 O ATOM 416 CB SER A 31 -4.195 -18.267 5.840 1.00 0.00 C ATOM 417 OG SER A 31 -4.428 -19.389 6.673 1.00 0.00 O ATOM 0 H SER A 31 -2.576 -16.565 4.385 1.00 0.00 H new ATOM 0 HA SER A 31 -2.513 -19.423 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.927 -17.405 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.111 -18.008 5.309 1.00 0.00 H new ATOM 0 HG SER A 31 -5.145 -19.181 7.308 1.00 0.00 H new ATOM 423 N SER A 32 -4.715 -19.684 3.449 1.00 0.00 N ATOM 424 CA SER A 32 -5.378 -20.058 2.205 1.00 0.00 C ATOM 425 C SER A 32 -6.563 -19.141 1.923 1.00 0.00 C ATOM 426 O SER A 32 -7.155 -19.183 0.843 1.00 0.00 O ATOM 427 CB SER A 32 -5.848 -21.512 2.270 1.00 0.00 C ATOM 428 OG SER A 32 -6.340 -21.831 3.560 1.00 0.00 O ATOM 0 H SER A 32 -5.115 -20.111 4.285 1.00 0.00 H new ATOM 0 HA SER A 32 -4.658 -19.952 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.629 -21.679 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.022 -22.176 2.018 1.00 0.00 H new ATOM 0 HG SER A 32 -6.636 -22.765 3.575 1.00 0.00 H new ATOM 434 N THR A 33 -6.905 -18.308 2.901 1.00 0.00 N ATOM 435 CA THR A 33 -8.020 -17.380 2.761 1.00 0.00 C ATOM 436 C THR A 33 -7.809 -16.135 3.614 1.00 0.00 C ATOM 437 O THR A 33 -8.768 -15.515 4.076 1.00 0.00 O ATOM 438 CB THR A 33 -9.354 -18.040 3.157 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.201 -18.753 4.389 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.830 -18.991 2.070 1.00 0.00 C ATOM 0 H THR A 33 -6.425 -18.257 3.800 1.00 0.00 H new ATOM 0 HA THR A 33 -8.063 -17.094 1.710 1.00 0.00 H new ATOM 0 HB THR A 33 -10.100 -17.255 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.054 -19.168 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.774 -19.445 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.974 -18.439 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.084 -19.771 1.917 1.00 0.00 H new ATOM 448 N THR A 34 -6.546 -15.770 3.821 1.00 0.00 N ATOM 449 CA THR A 34 -6.210 -14.599 4.620 1.00 0.00 C ATOM 450 C THR A 34 -4.946 -13.924 4.100 1.00 0.00 C ATOM 451 O THR A 34 -3.872 -14.526 4.081 1.00 0.00 O ATOM 452 CB THR A 34 -6.008 -14.968 6.102 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.553 -16.267 6.360 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.673 -13.944 7.009 1.00 0.00 C ATOM 0 H THR A 34 -5.740 -16.270 3.446 1.00 0.00 H new ATOM 0 HA THR A 34 -7.049 -13.908 4.537 1.00 0.00 H new ATOM 0 HB THR A 34 -4.938 -14.974 6.311 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.420 -16.496 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.517 -14.225 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.237 -12.961 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.742 -13.911 6.798 1.00 0.00 H new ATOM 462 N ILE A 35 -5.080 -12.671 3.680 1.00 0.00 N ATOM 463 CA ILE A 35 -3.948 -11.914 3.161 1.00 0.00 C ATOM 464 C ILE A 35 -3.582 -10.763 4.093 1.00 0.00 C ATOM 465 O ILE A 35 -4.276 -10.503 5.078 1.00 0.00 O ATOM 466 CB ILE A 35 -4.243 -11.347 1.759 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.407 -10.355 1.820 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.553 -12.477 0.787 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.639 -9.617 0.521 1.00 0.00 C ATOM 0 H ILE A 35 -5.962 -12.158 3.689 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.110 -12.608 3.095 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.359 -10.818 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.317 -10.891 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.215 -9.630 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.759 -12.062 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.697 -13.149 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.425 -13.030 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.478 -8.931 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.744 -9.054 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.862 -10.333 -0.270 1.00 0.00 H new ATOM 481 N LEU A 36 -2.488 -10.078 3.779 1.00 0.00 N ATOM 482 CA LEU A 36 -2.031 -8.954 4.586 1.00 0.00 C ATOM 483 C LEU A 36 -1.481 -7.838 3.706 1.00 0.00 C ATOM 484 O LEU A 36 -0.546 -8.046 2.932 1.00 0.00 O ATOM 485 CB LEU A 36 -0.957 -9.415 5.575 1.00 0.00 C ATOM 486 CG LEU A 36 -0.575 -8.414 6.665 1.00 0.00 C ATOM 487 CD1 LEU A 36 0.020 -9.134 7.866 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.402 -7.381 6.122 1.00 0.00 C ATOM 0 H LEU A 36 -1.901 -10.282 2.970 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.886 -8.566 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.303 -10.330 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.059 -9.670 5.013 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.478 -7.896 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.286 -8.405 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.711 -9.834 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.912 -9.679 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.663 -6.677 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.304 -7.882 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.060 -6.843 5.294 1.00 0.00 H new ATOM 500 N VAL A 37 -2.067 -6.650 3.827 1.00 0.00 N ATOM 501 CA VAL A 37 -1.633 -5.500 3.044 1.00 0.00 C ATOM 502 C VAL A 37 -0.940 -4.466 3.925 1.00 0.00 C ATOM 503 O VAL A 37 -1.498 -4.014 4.924 1.00 0.00 O ATOM 504 CB VAL A 37 -2.821 -4.832 2.325 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.327 -3.757 1.366 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.650 -5.872 1.589 1.00 0.00 C ATOM 0 H VAL A 37 -2.844 -6.460 4.460 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.928 -5.870 2.300 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.456 -4.356 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.179 -3.296 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.778 -2.998 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.670 -4.207 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.485 -5.383 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.028 -6.377 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.033 -6.603 2.301 1.00 0.00 H new ATOM 516 N GLN A 38 0.279 -4.096 3.545 1.00 0.00 N ATOM 517 CA GLN A 38 1.049 -3.115 4.301 1.00 0.00 C ATOM 518 C GLN A 38 1.677 -2.082 3.370 1.00 0.00 C ATOM 519 O GLN A 38 2.330 -2.434 2.388 1.00 0.00 O ATOM 520 CB GLN A 38 2.137 -3.810 5.120 1.00 0.00 C ATOM 521 CG GLN A 38 3.049 -4.699 4.290 1.00 0.00 C ATOM 522 CD GLN A 38 4.193 -5.277 5.098 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.360 -5.158 4.717 1.00 0.00 O ATOM 524 NE2 GLN A 38 3.868 -5.907 6.219 1.00 0.00 N ATOM 0 H GLN A 38 0.754 -4.460 2.719 1.00 0.00 H new ATOM 0 HA GLN A 38 0.368 -2.600 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.740 -3.054 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.666 -4.412 5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.465 -5.513 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.452 -4.123 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.889 -5.982 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.597 -6.316 6.804 1.00 0.00 H new ATOM 533 N TRP A 39 1.476 -0.808 3.687 1.00 0.00 N ATOM 534 CA TRP A 39 2.023 0.275 2.878 1.00 0.00 C ATOM 535 C TRP A 39 2.616 1.368 3.761 1.00 0.00 C ATOM 536 O TRP A 39 2.529 1.304 4.989 1.00 0.00 O ATOM 537 CB TRP A 39 0.937 0.865 1.976 1.00 0.00 C ATOM 538 CG TRP A 39 -0.226 1.426 2.737 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.311 2.664 3.308 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.468 0.769 3.008 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.532 2.815 3.919 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.261 1.669 3.749 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.990 -0.489 2.697 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.545 1.347 4.183 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -3.264 -0.806 3.127 1.00 0.00 C ATOM 546 CH2 TRP A 39 -4.030 0.108 3.864 1.00 0.00 C ATOM 0 H TRP A 39 0.939 -0.500 4.498 1.00 0.00 H new ATOM 0 HA TRP A 39 2.818 -0.136 2.256 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.373 1.652 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.579 0.091 1.297 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.467 3.413 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.845 3.647 4.419 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.408 -1.201 2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.136 2.050 4.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.677 -1.775 2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.022 -0.171 4.186 1.00 0.00 H new ATOM 557 N LYS A 40 3.218 2.371 3.132 1.00 0.00 N ATOM 558 CA LYS A 40 3.825 3.477 3.860 1.00 0.00 C ATOM 559 C LYS A 40 3.132 4.794 3.524 1.00 0.00 C ATOM 560 O LYS A 40 2.194 4.826 2.727 1.00 0.00 O ATOM 561 CB LYS A 40 5.317 3.577 3.529 1.00 0.00 C ATOM 562 CG LYS A 40 6.178 2.605 4.316 1.00 0.00 C ATOM 563 CD LYS A 40 6.108 2.876 5.809 1.00 0.00 C ATOM 564 CE LYS A 40 7.442 3.366 6.351 1.00 0.00 C ATOM 565 NZ LYS A 40 7.564 4.848 6.268 1.00 0.00 N ATOM 0 H LYS A 40 3.298 2.440 2.118 1.00 0.00 H new ATOM 0 HA LYS A 40 3.707 3.284 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.458 3.394 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.658 4.594 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.851 1.585 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.212 2.681 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.338 3.621 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.814 1.966 6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.550 3.050 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.254 2.903 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.487 5.142 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.486 5.148 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.804 5.291 6.824 1.00 0.00 H new ATOM 579 N GLU A 41 3.600 5.878 4.135 1.00 0.00 N ATOM 580 CA GLU A 41 3.025 7.197 3.898 1.00 0.00 C ATOM 581 C GLU A 41 3.605 7.825 2.635 1.00 0.00 C ATOM 582 O GLU A 41 4.671 7.443 2.153 1.00 0.00 O ATOM 583 CB GLU A 41 3.279 8.110 5.099 1.00 0.00 C ATOM 584 CG GLU A 41 2.149 8.106 6.116 1.00 0.00 C ATOM 585 CD GLU A 41 2.651 8.199 7.545 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.676 7.558 7.856 1.00 0.00 O ATOM 587 OE2 GLU A 41 2.019 8.913 8.351 1.00 0.00 O ATOM 0 H GLU A 41 4.375 5.869 4.798 1.00 0.00 H new ATOM 0 HA GLU A 41 1.950 7.078 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.201 7.801 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.434 9.129 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.480 8.943 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.563 7.194 5.999 1.00 0.00 H new ATOM 594 N PRO A 42 2.886 8.814 2.083 1.00 0.00 N ATOM 595 CA PRO A 42 3.309 9.517 0.869 1.00 0.00 C ATOM 596 C PRO A 42 4.527 10.403 1.106 1.00 0.00 C ATOM 597 O PRO A 42 4.962 10.583 2.243 1.00 0.00 O ATOM 598 CB PRO A 42 2.090 10.370 0.509 1.00 0.00 C ATOM 599 CG PRO A 42 1.376 10.574 1.801 1.00 0.00 C ATOM 600 CD PRO A 42 1.606 9.322 2.603 1.00 0.00 C ATOM 0 HA PRO A 42 3.610 8.825 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.389 11.321 0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.455 9.866 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.760 11.449 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.312 10.742 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.662 9.533 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.801 8.601 2.462 1.00 0.00 H new ATOM 608 N GLU A 43 5.073 10.954 0.026 1.00 0.00 N ATOM 609 CA GLU A 43 6.242 11.821 0.118 1.00 0.00 C ATOM 610 C GLU A 43 5.836 13.290 0.051 1.00 0.00 C ATOM 611 O GLU A 43 6.536 14.161 0.568 1.00 0.00 O ATOM 612 CB GLU A 43 7.231 11.502 -1.004 1.00 0.00 C ATOM 613 CG GLU A 43 8.412 10.658 -0.553 1.00 0.00 C ATOM 614 CD GLU A 43 9.460 10.493 -1.637 1.00 0.00 C ATOM 615 OE1 GLU A 43 9.221 9.712 -2.579 1.00 0.00 O ATOM 616 OE2 GLU A 43 10.518 11.148 -1.542 1.00 0.00 O ATOM 0 H GLU A 43 4.724 10.815 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 43 6.723 11.638 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.705 10.979 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.603 12.436 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.870 11.119 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.055 9.675 -0.246 1.00 0.00 H new ATOM 623 N GLU A 44 4.701 13.556 -0.587 1.00 0.00 N ATOM 624 CA GLU A 44 4.203 14.920 -0.724 1.00 0.00 C ATOM 625 C GLU A 44 2.746 15.013 -0.282 1.00 0.00 C ATOM 626 O GLU A 44 1.831 15.142 -1.096 1.00 0.00 O ATOM 627 CB GLU A 44 4.341 15.395 -2.171 1.00 0.00 C ATOM 628 CG GLU A 44 5.779 15.454 -2.659 1.00 0.00 C ATOM 629 CD GLU A 44 6.434 16.794 -2.381 1.00 0.00 C ATOM 630 OE1 GLU A 44 6.290 17.710 -3.217 1.00 0.00 O ATOM 631 OE2 GLU A 44 7.091 16.923 -1.327 1.00 0.00 O ATOM 0 H GLU A 44 4.109 12.845 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 44 4.802 15.565 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.774 14.727 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.894 16.385 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.355 14.665 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.804 15.257 -3.731 1.00 0.00 H new ATOM 638 N PRO A 45 2.523 14.946 1.039 1.00 0.00 N ATOM 639 CA PRO A 45 1.178 15.021 1.618 1.00 0.00 C ATOM 640 C PRO A 45 0.500 16.357 1.339 1.00 0.00 C ATOM 641 O PRO A 45 -0.613 16.401 0.814 1.00 0.00 O ATOM 642 CB PRO A 45 1.430 14.853 3.119 1.00 0.00 C ATOM 643 CG PRO A 45 2.864 15.208 3.305 1.00 0.00 C ATOM 644 CD PRO A 45 3.564 14.792 2.067 1.00 0.00 C ATOM 0 HA PRO A 45 0.510 14.270 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.782 15.505 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.230 13.831 3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.980 16.278 3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.280 14.700 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.431 15.420 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.922 13.764 2.130 1.00 0.00 H new ATOM 652 N ASN A 46 1.176 17.445 1.692 1.00 0.00 N ATOM 653 CA ASN A 46 0.638 18.784 1.479 1.00 0.00 C ATOM 654 C ASN A 46 -0.635 18.994 2.293 1.00 0.00 C ATOM 655 O ASN A 46 -1.496 19.793 1.925 1.00 0.00 O ATOM 656 CB ASN A 46 0.349 19.008 -0.007 1.00 0.00 C ATOM 657 CG ASN A 46 1.364 18.325 -0.904 1.00 0.00 C ATOM 658 OD1 ASN A 46 2.572 18.455 -0.703 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.876 17.594 -1.898 1.00 0.00 N ATOM 0 H ASN A 46 2.098 17.426 2.127 1.00 0.00 H new ATOM 0 HA ASN A 46 1.384 19.506 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.648 18.634 -0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.345 20.078 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.510 17.111 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.133 17.515 -2.026 1.00 0.00 H new ATOM 666 N GLY A 47 -0.746 18.272 3.404 1.00 0.00 N ATOM 667 CA GLY A 47 -1.916 18.394 4.254 1.00 0.00 C ATOM 668 C GLY A 47 -1.916 17.389 5.389 1.00 0.00 C ATOM 669 O GLY A 47 -0.931 16.679 5.597 1.00 0.00 O ATOM 0 H GLY A 47 -0.047 17.605 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.958 19.402 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.814 18.257 3.652 1.00 0.00 H new ATOM 673 N GLN A 48 -3.020 17.331 6.125 1.00 0.00 N ATOM 674 CA GLN A 48 -3.143 16.406 7.247 1.00 0.00 C ATOM 675 C GLN A 48 -3.792 15.098 6.806 1.00 0.00 C ATOM 676 O GLN A 48 -4.908 15.093 6.289 1.00 0.00 O ATOM 677 CB GLN A 48 -3.960 17.042 8.372 1.00 0.00 C ATOM 678 CG GLN A 48 -4.465 16.040 9.397 1.00 0.00 C ATOM 679 CD GLN A 48 -4.360 16.557 10.820 1.00 0.00 C ATOM 680 OE1 GLN A 48 -4.519 17.752 11.071 1.00 0.00 O ATOM 681 NE2 GLN A 48 -4.091 15.657 11.758 1.00 0.00 N ATOM 0 H GLN A 48 -3.843 17.913 5.966 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.141 16.186 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.348 17.789 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.811 17.567 7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.505 15.796 9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.895 15.115 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.967 14.677 11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.008 15.945 12.733 1.00 0.00 H new ATOM 690 N ILE A 49 -3.086 13.993 7.017 1.00 0.00 N ATOM 691 CA ILE A 49 -3.594 12.680 6.642 1.00 0.00 C ATOM 692 C ILE A 49 -4.600 12.166 7.667 1.00 0.00 C ATOM 693 O ILE A 49 -4.338 12.183 8.869 1.00 0.00 O ATOM 694 CB ILE A 49 -2.455 11.654 6.500 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.398 12.165 5.518 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.003 10.311 6.043 1.00 0.00 C ATOM 697 CD1 ILE A 49 -1.915 12.333 4.106 1.00 0.00 C ATOM 0 H ILE A 49 -2.161 13.981 7.446 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.088 12.798 5.678 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.985 11.520 7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.017 13.123 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.557 11.471 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.185 9.597 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.722 9.943 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.496 10.429 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.112 12.698 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.270 11.373 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.736 13.050 4.102 1.00 0.00 H new ATOM 709 N GLN A 50 -5.750 11.711 7.183 1.00 0.00 N ATOM 710 CA GLN A 50 -6.795 11.192 8.057 1.00 0.00 C ATOM 711 C GLN A 50 -6.872 9.670 7.971 1.00 0.00 C ATOM 712 O GLN A 50 -7.311 9.007 8.909 1.00 0.00 O ATOM 713 CB GLN A 50 -8.148 11.804 7.690 1.00 0.00 C ATOM 714 CG GLN A 50 -8.189 13.317 7.827 1.00 0.00 C ATOM 715 CD GLN A 50 -8.273 13.770 9.271 1.00 0.00 C ATOM 716 OE1 GLN A 50 -9.361 13.882 9.835 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.121 14.033 9.878 1.00 0.00 N ATOM 0 H GLN A 50 -5.982 11.691 6.190 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.545 11.468 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.393 11.534 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.919 11.369 8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.297 13.744 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.047 13.705 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.242 13.926 9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.116 14.341 10.850 1.00 0.00 H new ATOM 726 N GLY A 51 -6.440 9.124 6.839 1.00 0.00 N ATOM 727 CA GLY A 51 -6.467 7.686 6.651 1.00 0.00 C ATOM 728 C GLY A 51 -6.137 7.280 5.227 1.00 0.00 C ATOM 729 O GLY A 51 -5.505 8.036 4.490 1.00 0.00 O ATOM 0 H GLY A 51 -6.072 9.652 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.755 7.220 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.455 7.307 6.914 1.00 0.00 H new ATOM 733 N TYR A 52 -6.563 6.082 4.841 1.00 0.00 N ATOM 734 CA TYR A 52 -6.306 5.576 3.498 1.00 0.00 C ATOM 735 C TYR A 52 -7.462 4.707 3.013 1.00 0.00 C ATOM 736 O TYR A 52 -8.434 4.488 3.735 1.00 0.00 O ATOM 737 CB TYR A 52 -5.004 4.772 3.477 1.00 0.00 C ATOM 738 CG TYR A 52 -3.858 5.456 4.186 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.659 5.285 5.551 1.00 0.00 C ATOM 740 CD2 TYR A 52 -2.974 6.274 3.492 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.613 5.910 6.204 1.00 0.00 C ATOM 742 CE2 TYR A 52 -1.924 6.900 4.136 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.748 6.714 5.492 1.00 0.00 C ATOM 744 OH TYR A 52 -0.706 7.338 6.138 1.00 0.00 O ATOM 0 H TYR A 52 -7.088 5.444 5.439 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.211 6.429 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.179 3.801 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.719 4.584 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.333 4.653 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.110 6.423 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.474 5.769 7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.245 7.531 3.582 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.420 6.792 6.900 1.00 0.00 H new ATOM 754 N ARG A 53 -7.347 4.215 1.783 1.00 0.00 N ATOM 755 CA ARG A 53 -8.382 3.370 1.200 1.00 0.00 C ATOM 756 C ARG A 53 -7.764 2.251 0.367 1.00 0.00 C ATOM 757 O ARG A 53 -6.836 2.480 -0.408 1.00 0.00 O ATOM 758 CB ARG A 53 -9.323 4.207 0.331 1.00 0.00 C ATOM 759 CG ARG A 53 -10.188 5.173 1.125 1.00 0.00 C ATOM 760 CD ARG A 53 -10.501 6.428 0.326 1.00 0.00 C ATOM 761 NE ARG A 53 -11.772 6.322 -0.385 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.225 7.248 -1.222 1.00 0.00 C ATOM 763 NH1 ARG A 53 -11.512 8.341 -1.455 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.392 7.079 -1.831 1.00 0.00 N ATOM 0 H ARG A 53 -6.548 4.387 1.172 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.952 2.922 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.732 4.771 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.969 3.539 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.118 4.680 1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.677 5.446 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.532 7.286 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.700 6.611 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.343 5.491 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.613 8.472 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.862 9.051 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.941 6.238 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.740 7.791 -2.474 1.00 0.00 H new ATOM 778 N VAL A 54 -8.287 1.040 0.532 1.00 0.00 N ATOM 779 CA VAL A 54 -7.787 -0.115 -0.204 1.00 0.00 C ATOM 780 C VAL A 54 -8.856 -0.677 -1.135 1.00 0.00 C ATOM 781 O VAL A 54 -9.995 -0.900 -0.727 1.00 0.00 O ATOM 782 CB VAL A 54 -7.317 -1.229 0.750 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.630 -2.342 -0.026 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.392 -0.661 1.816 1.00 0.00 C ATOM 0 H VAL A 54 -9.057 0.834 1.169 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.938 0.229 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.191 -1.651 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.305 -3.120 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.328 -2.766 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.764 -1.939 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.069 -1.461 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.521 -0.212 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.923 0.098 2.391 1.00 0.00 H new ATOM 794 N TYR A 55 -8.480 -0.905 -2.389 1.00 0.00 N ATOM 795 CA TYR A 55 -9.406 -1.439 -3.380 1.00 0.00 C ATOM 796 C TYR A 55 -9.039 -2.872 -3.751 1.00 0.00 C ATOM 797 O TYR A 55 -7.965 -3.130 -4.294 1.00 0.00 O ATOM 798 CB TYR A 55 -9.408 -0.561 -4.632 1.00 0.00 C ATOM 799 CG TYR A 55 -9.970 0.824 -4.400 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.286 1.751 -3.622 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.185 1.204 -4.957 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.796 3.016 -3.405 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.701 2.469 -4.747 1.00 0.00 C ATOM 804 CZ TYR A 55 -11.004 3.370 -3.971 1.00 0.00 C ATOM 805 OH TYR A 55 -11.516 4.630 -3.758 1.00 0.00 O ATOM 0 H TYR A 55 -7.540 -0.728 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.405 -1.440 -2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.388 -0.472 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.990 -1.054 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.340 1.477 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.735 0.500 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.253 3.724 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.646 2.750 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.372 4.719 -4.227 1.00 0.00 H new ATOM 815 N TYR A 56 -9.940 -3.802 -3.455 1.00 0.00 N ATOM 816 CA TYR A 56 -9.713 -5.211 -3.756 1.00 0.00 C ATOM 817 C TYR A 56 -11.019 -5.910 -4.118 1.00 0.00 C ATOM 818 O TYR A 56 -12.022 -5.783 -3.414 1.00 0.00 O ATOM 819 CB TYR A 56 -9.062 -5.911 -2.560 1.00 0.00 C ATOM 820 CG TYR A 56 -10.003 -6.123 -1.397 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.243 -5.109 -0.478 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.654 -7.337 -1.217 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.102 -5.299 0.588 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.517 -7.535 -0.156 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.737 -6.513 0.744 1.00 0.00 C ATOM 826 OH TYR A 56 -12.593 -6.707 1.803 1.00 0.00 O ATOM 0 H TYR A 56 -10.835 -3.606 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.042 -5.269 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.673 -6.877 -2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.210 -5.320 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.750 -4.156 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.483 -8.140 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.275 -4.501 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.016 -8.485 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.587 -5.914 2.378 1.00 0.00 H new ATOM 836 N THR A 57 -11.001 -6.648 -5.223 1.00 0.00 N ATOM 837 CA THR A 57 -12.184 -7.367 -5.681 1.00 0.00 C ATOM 838 C THR A 57 -11.808 -8.475 -6.660 1.00 0.00 C ATOM 839 O THR A 57 -10.917 -8.306 -7.491 1.00 0.00 O ATOM 840 CB THR A 57 -13.190 -6.419 -6.359 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.444 -7.086 -6.543 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.663 -5.939 -7.702 1.00 0.00 C ATOM 0 H THR A 57 -10.180 -6.764 -5.818 1.00 0.00 H new ATOM 0 HA THR A 57 -12.649 -7.807 -4.798 1.00 0.00 H new ATOM 0 HB THR A 57 -13.331 -5.553 -5.713 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.079 -6.476 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.392 -5.271 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.724 -5.406 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.495 -6.796 -8.354 1.00 0.00 H new ATOM 850 N MET A 58 -12.497 -9.607 -6.557 1.00 0.00 N ATOM 851 CA MET A 58 -12.236 -10.742 -7.436 1.00 0.00 C ATOM 852 C MET A 58 -12.614 -10.412 -8.876 1.00 0.00 C ATOM 853 O MET A 58 -12.131 -11.044 -9.816 1.00 0.00 O ATOM 854 CB MET A 58 -13.014 -11.970 -6.961 1.00 0.00 C ATOM 855 CG MET A 58 -14.506 -11.721 -6.800 1.00 0.00 C ATOM 856 SD MET A 58 -15.480 -13.231 -6.937 1.00 0.00 S ATOM 857 CE MET A 58 -14.532 -14.343 -5.903 1.00 0.00 C ATOM 0 H MET A 58 -13.239 -9.763 -5.875 1.00 0.00 H new ATOM 0 HA MET A 58 -11.169 -10.960 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.864 -12.782 -7.673 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.605 -12.302 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.691 -11.261 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.836 -11.010 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.104 -15.254 -5.728 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.595 -14.593 -6.401 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.319 -13.860 -4.949 1.00 0.00 H new ATOM 867 N ASP A 59 -13.479 -9.417 -9.043 1.00 0.00 N ATOM 868 CA ASP A 59 -13.921 -9.002 -10.370 1.00 0.00 C ATOM 869 C ASP A 59 -13.396 -7.609 -10.707 1.00 0.00 C ATOM 870 O ASP A 59 -14.099 -6.607 -10.580 1.00 0.00 O ATOM 871 CB ASP A 59 -15.448 -9.018 -10.449 1.00 0.00 C ATOM 872 CG ASP A 59 -16.011 -10.425 -10.499 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.487 -11.246 -11.280 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.976 -10.705 -9.757 1.00 0.00 O ATOM 0 H ASP A 59 -13.888 -8.883 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.519 -9.707 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.859 -8.496 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.769 -8.470 -11.335 1.00 0.00 H new ATOM 879 N PRO A 60 -12.130 -7.545 -11.146 1.00 0.00 N ATOM 880 CA PRO A 60 -11.482 -6.282 -11.509 1.00 0.00 C ATOM 881 C PRO A 60 -12.059 -5.681 -12.786 1.00 0.00 C ATOM 882 O PRO A 60 -11.727 -4.555 -13.161 1.00 0.00 O ATOM 883 CB PRO A 60 -10.019 -6.680 -11.719 1.00 0.00 C ATOM 884 CG PRO A 60 -10.067 -8.125 -12.077 1.00 0.00 C ATOM 885 CD PRO A 60 -11.233 -8.701 -11.320 1.00 0.00 C ATOM 0 HA PRO A 60 -11.624 -5.517 -10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.558 -6.091 -12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.430 -6.515 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.196 -8.257 -13.151 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.138 -8.626 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.716 -9.505 -11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.924 -9.118 -10.361 1.00 0.00 H new ATOM 941 N VAL A 64 -13.354 1.025 -10.698 1.00 0.00 N ATOM 942 CA VAL A 64 -12.562 1.088 -9.476 1.00 0.00 C ATOM 943 C VAL A 64 -13.457 1.110 -8.241 1.00 0.00 C ATOM 944 O VAL A 64 -13.523 0.135 -7.493 1.00 0.00 O ATOM 945 CB VAL A 64 -11.653 2.332 -9.458 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.968 2.475 -8.109 1.00 0.00 C ATOM 947 CG2 VAL A 64 -10.630 2.258 -10.582 1.00 0.00 C ATOM 0 HA VAL A 64 -11.941 0.193 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.271 3.216 -9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.331 3.359 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.721 2.577 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.360 1.591 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.996 3.144 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.015 1.367 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.146 2.210 -11.541 1.00 0.00 H new ATOM 957 N ASN A 65 -14.145 2.228 -8.035 1.00 0.00 N ATOM 958 CA ASN A 65 -15.037 2.377 -6.890 1.00 0.00 C ATOM 959 C ASN A 65 -16.043 1.231 -6.833 1.00 0.00 C ATOM 960 O ASN A 65 -16.484 0.834 -5.755 1.00 0.00 O ATOM 961 CB ASN A 65 -15.776 3.715 -6.964 1.00 0.00 C ATOM 962 CG ASN A 65 -15.394 4.649 -5.833 1.00 0.00 C ATOM 963 OD1 ASN A 65 -16.100 4.750 -4.831 1.00 0.00 O ATOM 964 ND2 ASN A 65 -14.268 5.337 -5.988 1.00 0.00 N ATOM 0 H ASN A 65 -14.102 3.044 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.432 2.353 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.558 4.195 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.851 3.535 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.959 5.980 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.713 5.222 -6.836 1.00 0.00 H new ATOM 971 N ASN A 66 -16.400 0.704 -7.999 1.00 0.00 N ATOM 972 CA ASN A 66 -17.352 -0.396 -8.081 1.00 0.00 C ATOM 973 C ASN A 66 -16.844 -1.615 -7.316 1.00 0.00 C ATOM 974 O ASN A 66 -17.618 -2.503 -6.959 1.00 0.00 O ATOM 975 CB ASN A 66 -17.610 -0.769 -9.542 1.00 0.00 C ATOM 976 CG ASN A 66 -19.042 -0.504 -9.964 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.332 0.496 -10.620 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.945 -1.401 -9.585 1.00 0.00 N ATOM 0 H ASN A 66 -16.044 1.021 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.287 -0.067 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.935 -0.202 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.380 -1.824 -9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.925 -1.276 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.658 -2.215 -9.042 1.00 0.00 H new ATOM 985 N TRP A 67 -15.540 -1.648 -7.068 1.00 0.00 N ATOM 986 CA TRP A 67 -14.929 -2.757 -6.345 1.00 0.00 C ATOM 987 C TRP A 67 -15.512 -2.881 -4.941 1.00 0.00 C ATOM 988 O TRP A 67 -16.444 -2.161 -4.583 1.00 0.00 O ATOM 989 CB TRP A 67 -13.413 -2.566 -6.264 1.00 0.00 C ATOM 990 CG TRP A 67 -12.724 -2.722 -7.586 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.302 -2.678 -8.823 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.326 -2.950 -7.803 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.349 -2.865 -9.794 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.129 -3.032 -9.196 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.223 -3.089 -6.956 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.873 -3.250 -9.756 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -8.979 -3.305 -7.516 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.811 -3.383 -8.905 1.00 0.00 C ATOM 0 H TRP A 67 -14.886 -0.920 -7.357 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.145 -3.676 -6.890 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.200 -1.574 -5.866 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.000 -3.288 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.354 -2.519 -9.010 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.522 -2.877 -10.799 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.341 -3.029 -5.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.742 -3.312 -10.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.120 -3.416 -6.871 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.824 -3.551 -9.311 1.00 0.00 H new ATOM 1009 N MET A 68 -14.959 -3.796 -4.153 1.00 0.00 N ATOM 1010 CA MET A 68 -15.425 -4.012 -2.789 1.00 0.00 C ATOM 1011 C MET A 68 -14.936 -2.900 -1.865 1.00 0.00 C ATOM 1012 O MET A 68 -15.678 -2.417 -1.010 1.00 0.00 O ATOM 1013 CB MET A 68 -14.945 -5.369 -2.271 1.00 0.00 C ATOM 1014 CG MET A 68 -16.078 -6.313 -1.902 1.00 0.00 C ATOM 1015 SD MET A 68 -15.521 -8.015 -1.687 1.00 0.00 S ATOM 1016 CE MET A 68 -14.876 -8.369 -3.322 1.00 0.00 C ATOM 0 H MET A 68 -14.187 -4.400 -4.436 1.00 0.00 H new ATOM 0 HA MET A 68 -16.515 -4.000 -2.798 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.323 -5.840 -3.032 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.314 -5.212 -1.396 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.547 -5.969 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.841 -6.280 -2.679 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.345 -9.273 -3.710 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.092 -7.533 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.798 -8.517 -3.264 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.682 -2.499 -2.042 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.093 -1.444 -1.225 1.00 0.00 C ATOM 1028 C LYS A 69 -13.008 -1.871 0.237 1.00 0.00 C ATOM 1029 O LYS A 69 -13.734 -2.763 0.676 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.915 -0.159 -1.346 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.257 0.212 -2.779 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.037 1.515 -2.847 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.125 2.721 -2.676 1.00 0.00 C ATOM 1034 NZ LYS A 69 -14.693 3.713 -1.723 1.00 0.00 N ATOM 0 H LYS A 69 -13.053 -2.889 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.083 -1.257 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.839 -0.274 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.361 0.661 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.340 0.305 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.842 -0.588 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.554 1.581 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.802 1.523 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.149 2.391 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.966 3.197 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.927 4.298 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.374 4.321 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.176 3.214 -0.949 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.119 -1.226 0.986 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.942 -1.537 2.400 1.00 0.00 C ATOM 1050 C HIS A 70 -11.922 -0.263 3.238 1.00 0.00 C ATOM 1051 O HIS A 70 -12.139 0.833 2.724 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.648 -2.323 2.612 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.772 -3.418 3.626 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.869 -4.249 3.707 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -9.927 -3.817 4.606 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.694 -5.111 4.693 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.523 -4.870 5.254 1.00 0.00 N ATOM 0 H HIS A 70 -11.510 -0.485 0.638 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.786 -2.148 2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.334 -2.753 1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.862 -1.636 2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.963 -3.387 4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.390 -5.882 4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.126 -5.383 6.041 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.658 -0.416 4.532 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.611 0.722 5.442 1.00 0.00 C ATOM 1067 C ASN A 71 -10.255 0.807 6.137 1.00 0.00 C ATOM 1068 O ASN A 71 -9.585 -0.205 6.339 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.725 0.616 6.485 1.00 0.00 C ATOM 1070 CG ASN A 71 -14.004 1.294 6.036 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -14.204 1.542 4.847 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.878 1.600 6.989 1.00 0.00 N ATOM 0 H ASN A 71 -11.473 -1.317 4.973 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.757 1.629 4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.927 -0.435 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.388 1.065 7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.756 2.059 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.671 1.376 7.962 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.857 2.022 6.501 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.582 2.238 7.176 1.00 0.00 C ATOM 1081 C VAL A 72 -8.653 3.442 8.109 1.00 0.00 C ATOM 1082 O VAL A 72 -9.324 4.431 7.815 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.442 2.454 6.163 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.128 2.708 6.885 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.326 1.261 5.227 1.00 0.00 C ATOM 0 H VAL A 72 -10.398 2.871 6.340 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.375 1.341 7.760 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.674 3.334 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.334 2.858 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.221 3.598 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.886 1.850 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.515 1.432 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.117 0.362 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.262 1.133 4.683 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.955 3.349 9.237 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.936 4.431 10.213 1.00 0.00 C ATOM 1097 C ALA A 73 -6.517 4.709 10.697 1.00 0.00 C ATOM 1098 O ALA A 73 -6.184 4.454 11.854 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.840 4.096 11.390 1.00 0.00 C ATOM 0 H ALA A 73 -7.396 2.536 9.497 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.309 5.332 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.816 4.913 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.861 3.954 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.491 3.180 11.867 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.684 5.232 9.803 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.299 5.546 10.140 1.00 0.00 C ATOM 1107 C ASP A 74 -3.601 4.333 10.749 1.00 0.00 C ATOM 1108 O ASP A 74 -3.085 4.397 11.864 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.243 6.725 11.113 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.917 7.458 11.057 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.677 8.176 10.065 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.119 7.312 12.006 1.00 0.00 O ATOM 0 H ASP A 74 -5.943 5.447 8.840 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.779 5.819 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.050 7.421 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.413 6.364 12.127 1.00 0.00 H new ATOM 1117 N SER A 75 -3.590 3.229 10.009 1.00 0.00 N ATOM 1118 CA SER A 75 -2.960 2.002 10.477 1.00 0.00 C ATOM 1119 C SER A 75 -1.807 1.598 9.562 1.00 0.00 C ATOM 1120 O SER A 75 -0.840 0.979 10.001 1.00 0.00 O ATOM 1121 CB SER A 75 -3.988 0.870 10.551 1.00 0.00 C ATOM 1122 OG SER A 75 -3.791 0.076 11.706 1.00 0.00 O ATOM 0 H SER A 75 -4.011 3.160 9.082 1.00 0.00 H new ATOM 0 HA SER A 75 -2.561 2.187 11.475 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.994 1.289 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.911 0.247 9.660 1.00 0.00 H new ATOM 0 HG SER A 75 -4.461 -0.638 11.730 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.921 1.955 8.285 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.890 1.631 7.308 1.00 0.00 C ATOM 1130 C GLN A 76 -0.751 0.121 7.143 1.00 0.00 C ATOM 1131 O GLN A 76 0.256 -0.368 6.630 1.00 0.00 O ATOM 1132 CB GLN A 76 0.451 2.235 7.729 1.00 0.00 C ATOM 1133 CG GLN A 76 0.813 3.500 6.968 1.00 0.00 C ATOM 1134 CD GLN A 76 2.051 4.180 7.522 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.489 3.884 8.634 1.00 0.00 O ATOM 1136 NE2 GLN A 76 2.619 5.097 6.749 1.00 0.00 N ATOM 0 H GLN A 76 -2.717 2.468 7.905 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.187 2.057 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.421 2.458 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.237 1.494 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.977 3.254 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.026 4.195 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.221 5.310 5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.453 5.589 7.070 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.769 -0.613 7.584 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.760 -2.067 7.484 1.00 0.00 C ATOM 1147 C ILE A 77 -3.151 -2.642 7.724 1.00 0.00 C ATOM 1148 O ILE A 77 -3.843 -2.252 8.665 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.776 -2.694 8.489 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.642 -4.198 8.236 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.237 -2.431 9.916 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.367 -4.874 9.136 1.00 0.00 C ATOM 0 H ILE A 77 -2.609 -0.224 8.013 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.438 -2.313 6.472 1.00 0.00 H new ATOM 0 HB ILE A 77 0.202 -2.233 8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.615 -4.670 8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.355 -4.359 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.531 -2.880 10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.286 -1.356 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.224 -2.868 10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.409 -5.938 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.350 -4.429 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.071 -4.744 10.177 1.00 0.00 H new ATOM 1164 N THR A 78 -3.554 -3.577 6.868 1.00 0.00 N ATOM 1165 CA THR A 78 -4.863 -4.208 6.988 1.00 0.00 C ATOM 1166 C THR A 78 -4.824 -5.653 6.503 1.00 0.00 C ATOM 1167 O THR A 78 -4.134 -5.974 5.534 1.00 0.00 O ATOM 1168 CB THR A 78 -5.932 -3.439 6.187 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.231 -3.975 6.466 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.654 -3.523 4.695 1.00 0.00 C ATOM 0 H THR A 78 -2.993 -3.913 6.085 1.00 0.00 H new ATOM 0 HA THR A 78 -5.127 -4.190 8.045 1.00 0.00 H new ATOM 0 HB THR A 78 -5.898 -2.392 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.878 -3.243 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.421 -2.973 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.677 -3.090 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.664 -4.567 4.381 1.00 0.00 H new ATOM 1178 N THR A 79 -5.566 -6.521 7.182 1.00 0.00 N ATOM 1179 CA THR A 79 -5.615 -7.932 6.821 1.00 0.00 C ATOM 1180 C THR A 79 -6.996 -8.320 6.305 1.00 0.00 C ATOM 1181 O THR A 79 -7.991 -8.205 7.021 1.00 0.00 O ATOM 1182 CB THR A 79 -5.257 -8.831 8.020 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.906 -8.353 9.203 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.751 -8.864 8.240 1.00 0.00 C ATOM 0 H THR A 79 -6.142 -6.271 7.986 1.00 0.00 H new ATOM 0 HA THR A 79 -4.879 -8.082 6.031 1.00 0.00 H new ATOM 0 HB THR A 79 -5.600 -9.843 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.832 -8.110 8.993 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.522 -9.505 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.262 -9.256 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.390 -7.855 8.438 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.049 -8.780 5.060 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.308 -9.186 4.449 1.00 0.00 C ATOM 1194 C ILE A 80 -8.448 -10.704 4.437 1.00 0.00 C ATOM 1195 O ILE A 80 -7.468 -11.427 4.258 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.431 -8.658 3.007 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.333 -7.132 2.990 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.741 -9.117 2.385 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.276 -6.546 1.596 1.00 0.00 C ATOM 0 H ILE A 80 -6.234 -8.881 4.455 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.106 -8.755 5.054 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.609 -9.063 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.192 -6.715 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.443 -6.827 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.813 -8.736 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.774 -10.206 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.576 -8.738 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.207 -5.460 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.402 -6.935 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.178 -6.821 1.049 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.674 -11.182 4.625 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.921 -12.612 4.630 1.00 0.00 C ATOM 1213 C GLY A 81 -11.210 -12.981 3.922 1.00 0.00 C ATOM 1214 O GLY A 81 -11.821 -12.146 3.257 1.00 0.00 O ATOM 0 H GLY A 81 -10.501 -10.604 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.087 -13.123 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.961 -12.967 5.660 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.623 -14.236 4.065 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.846 -14.715 3.433 1.00 0.00 C ATOM 1220 C ASN A 82 -12.740 -14.638 1.913 1.00 0.00 C ATOM 1221 O ASN A 82 -13.702 -14.289 1.228 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.047 -13.896 3.912 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.370 -14.561 3.583 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.490 -15.785 3.630 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.369 -13.754 3.247 1.00 0.00 N ATOM 0 H ASN A 82 -11.128 -14.940 4.613 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.987 -15.758 3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.976 -13.749 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.016 -12.908 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.283 -14.143 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.223 -12.745 3.222 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.563 -14.966 1.391 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.328 -14.934 -0.048 1.00 0.00 C ATOM 1234 C LEU A 83 -11.265 -16.347 -0.620 1.00 0.00 C ATOM 1235 O LEU A 83 -11.245 -17.329 0.122 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.030 -14.188 -0.358 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.762 -12.934 0.475 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.353 -12.416 0.222 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.791 -11.858 0.165 1.00 0.00 C ATOM 0 H LEU A 83 -10.756 -15.257 1.943 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.161 -14.408 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.197 -14.877 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.039 -13.906 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.847 -13.197 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.180 -11.523 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.629 -13.183 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.240 -12.170 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.585 -10.973 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.738 -11.598 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.789 -12.231 0.398 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.232 -16.443 -1.945 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.167 -17.736 -2.617 1.00 0.00 C ATOM 1253 C VAL A 84 -9.724 -18.207 -2.763 1.00 0.00 C ATOM 1254 O VAL A 84 -8.844 -17.467 -3.202 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.820 -17.676 -4.012 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -12.229 -19.068 -4.469 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -13.015 -16.737 -4.000 1.00 0.00 C ATOM 0 H VAL A 84 -11.249 -15.641 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.716 -18.444 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.089 -17.287 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.688 -19.007 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.348 -19.708 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.944 -19.488 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.464 -16.707 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.751 -17.094 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.688 -15.736 -3.719 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.474 -19.470 -2.386 1.00 0.00 N ATOM 1268 CA PRO A 85 -8.139 -20.071 -2.466 1.00 0.00 C ATOM 1269 C PRO A 85 -7.697 -20.308 -3.906 1.00 0.00 C ATOM 1270 O PRO A 85 -8.441 -20.869 -4.709 1.00 0.00 O ATOM 1271 CB PRO A 85 -8.306 -21.403 -1.730 1.00 0.00 C ATOM 1272 CG PRO A 85 -9.754 -21.729 -1.857 1.00 0.00 C ATOM 1273 CD PRO A 85 -10.476 -20.410 -1.853 1.00 0.00 C ATOM 0 HA PRO A 85 -7.373 -19.425 -2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.685 -22.181 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.010 -21.317 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.951 -22.279 -2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.086 -22.359 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.370 -20.440 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.796 -20.130 -0.849 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.481 -19.879 -4.224 1.00 0.00 N ATOM 1282 CA GLN A 86 -5.939 -20.045 -5.568 1.00 0.00 C ATOM 1283 C GLN A 86 -6.741 -19.237 -6.582 1.00 0.00 C ATOM 1284 O GLN A 86 -7.046 -19.718 -7.674 1.00 0.00 O ATOM 1285 CB GLN A 86 -5.940 -21.523 -5.961 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.394 -22.442 -4.880 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.242 -23.874 -5.352 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -6.217 -24.624 -5.419 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -4.016 -24.262 -5.683 1.00 0.00 N ATOM 0 H GLN A 86 -5.852 -19.414 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 86 -4.913 -19.677 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.959 -21.825 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.347 -21.650 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.426 -22.069 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.060 -22.417 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.237 -23.607 -5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.853 -25.215 -6.008 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.080 -18.006 -6.214 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.846 -17.128 -7.092 1.00 0.00 C ATOM 1300 C LYS A 87 -7.218 -15.739 -7.156 1.00 0.00 C ATOM 1301 O LYS A 87 -7.008 -15.093 -6.128 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.293 -17.022 -6.605 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.169 -18.183 -7.044 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.300 -18.241 -8.557 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.655 -18.787 -8.978 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.857 -18.695 -10.451 1.00 0.00 N ATOM 0 H LYS A 87 -6.836 -17.593 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.836 -17.559 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.298 -16.965 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.725 -16.092 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.745 -19.118 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.158 -18.084 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.163 -17.243 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.510 -18.869 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.741 -19.827 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.444 -18.234 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.792 -19.077 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.800 -17.700 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.119 -19.244 -10.937 1.00 0.00 H new ATOM 1320 N THR A 88 -6.921 -15.284 -8.369 1.00 0.00 N ATOM 1321 CA THR A 88 -6.317 -13.973 -8.566 1.00 0.00 C ATOM 1322 C THR A 88 -7.111 -12.888 -7.847 1.00 0.00 C ATOM 1323 O THR A 88 -8.338 -12.956 -7.763 1.00 0.00 O ATOM 1324 CB THR A 88 -6.222 -13.617 -10.063 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.618 -14.696 -10.784 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.412 -12.346 -10.267 1.00 0.00 C ATOM 0 H THR A 88 -7.089 -15.805 -9.230 1.00 0.00 H new ATOM 0 HA THR A 88 -5.312 -14.022 -8.147 1.00 0.00 H new ATOM 0 HB THR A 88 -7.231 -13.449 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.562 -14.464 -11.734 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.359 -12.115 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.891 -11.521 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.405 -12.490 -9.876 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.405 -11.889 -7.331 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.044 -10.791 -6.617 1.00 0.00 C ATOM 1336 C TYR A 89 -6.262 -9.493 -6.800 1.00 0.00 C ATOM 1337 O TYR A 89 -5.046 -9.456 -6.613 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.162 -11.121 -5.127 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.514 -11.673 -4.734 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.626 -10.845 -4.651 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.679 -13.022 -4.448 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.863 -11.343 -4.292 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.913 -13.530 -4.090 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.001 -12.687 -4.012 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.232 -13.188 -3.655 1.00 0.00 O ATOM 0 H TYR A 89 -5.389 -11.817 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.043 -10.655 -7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.392 -11.846 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.964 -10.219 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.521 -9.793 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.828 -13.685 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.717 -10.685 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.025 -14.582 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.928 -12.534 -3.875 1.00 0.00 H new ATOM 1355 N SER A 90 -6.972 -8.430 -7.166 1.00 0.00 N ATOM 1356 CA SER A 90 -6.345 -7.130 -7.378 1.00 0.00 C ATOM 1357 C SER A 90 -6.279 -6.339 -6.076 1.00 0.00 C ATOM 1358 O SER A 90 -7.113 -6.513 -5.188 1.00 0.00 O ATOM 1359 CB SER A 90 -7.118 -6.334 -8.433 1.00 0.00 C ATOM 1360 OG SER A 90 -7.173 -7.036 -9.662 1.00 0.00 O ATOM 0 H SER A 90 -7.980 -8.443 -7.322 1.00 0.00 H new ATOM 0 HA SER A 90 -5.328 -7.298 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.129 -6.138 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.641 -5.366 -8.585 1.00 0.00 H new ATOM 0 HG SER A 90 -7.216 -6.396 -10.403 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.279 -5.470 -5.968 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.102 -4.651 -4.774 1.00 0.00 C ATOM 1368 C VAL A 91 -4.557 -3.272 -5.131 1.00 0.00 C ATOM 1369 O VAL A 91 -3.664 -3.143 -5.967 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.151 -5.324 -3.768 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -4.078 -4.517 -2.481 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.595 -6.751 -3.489 1.00 0.00 C ATOM 0 H VAL A 91 -4.579 -5.315 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.085 -4.542 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.153 -5.358 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.401 -5.008 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.709 -3.515 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.071 -4.449 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.912 -7.212 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.603 -6.744 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.590 -7.322 -4.418 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.102 -2.243 -4.489 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.669 -0.873 -4.734 1.00 0.00 C ATOM 1384 C LYS A 92 -4.733 -0.044 -3.455 1.00 0.00 C ATOM 1385 O LYS A 92 -5.622 -0.234 -2.625 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.539 -0.228 -5.816 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.776 -1.125 -7.020 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.639 -0.437 -8.064 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.978 0.828 -8.589 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.738 1.423 -9.723 1.00 0.00 N ATOM 0 H LYS A 92 -5.844 -2.333 -3.795 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.634 -0.901 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.501 0.046 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.065 0.696 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.819 -1.403 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.258 -2.048 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.826 -1.121 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.608 -0.189 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.899 1.557 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.963 0.599 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.538 2.442 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.451 0.965 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.757 1.278 -9.572 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.786 0.876 -3.303 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.737 1.736 -2.127 1.00 0.00 C ATOM 1406 C VAL A 93 -3.568 3.198 -2.521 1.00 0.00 C ATOM 1407 O VAL A 93 -2.897 3.514 -3.505 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.588 1.332 -1.185 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.575 2.218 0.052 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.704 -0.135 -0.800 1.00 0.00 C ATOM 0 H VAL A 93 -3.042 1.045 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.686 1.612 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.644 1.471 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.756 1.918 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.438 3.257 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.521 2.114 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.884 -0.402 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.653 -0.304 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.658 -0.751 -1.698 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.179 4.088 -1.748 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.096 5.520 -2.015 1.00 0.00 C ATOM 1422 C LEU A 94 -4.101 6.319 -0.715 1.00 0.00 C ATOM 1423 O LEU A 94 -4.376 5.778 0.355 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.262 5.961 -2.902 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.591 6.214 -2.189 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.700 7.669 -1.761 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.758 5.831 -3.086 1.00 0.00 C ATOM 0 H LEU A 94 -4.738 3.844 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.158 5.714 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.972 6.874 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.421 5.198 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.626 5.591 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.652 7.829 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.883 7.910 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.643 8.312 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.696 6.018 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.727 6.427 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.689 4.774 -3.341 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.795 7.609 -0.818 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.768 8.482 0.347 1.00 0.00 C ATOM 1441 C ALA A 95 -4.698 9.675 0.162 1.00 0.00 C ATOM 1442 O ALA A 95 -4.743 10.279 -0.911 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.348 8.954 0.620 1.00 0.00 C ATOM 0 H ALA A 95 -3.563 8.071 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.121 7.911 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.343 9.606 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.708 8.092 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.975 9.503 -0.244 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.440 10.012 1.212 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.372 11.134 1.163 1.00 0.00 C ATOM 1451 C PHE A 96 -6.308 11.949 2.451 1.00 0.00 C ATOM 1452 O PHE A 96 -5.859 11.461 3.488 1.00 0.00 O ATOM 1453 CB PHE A 96 -7.798 10.629 0.936 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.384 9.928 2.130 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.064 10.640 3.103 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.252 8.557 2.276 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.603 10.000 4.202 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.790 7.909 3.372 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.465 8.632 4.337 1.00 0.00 C ATOM 0 H PHE A 96 -5.414 9.524 2.108 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.085 11.778 0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.436 11.472 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.802 9.947 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.175 11.710 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.723 7.988 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.131 10.568 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.683 6.839 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.884 8.128 5.196 1.00 0.00 H new ATOM 1469 N THR A 97 -6.757 13.199 2.374 1.00 0.00 N ATOM 1470 CA THR A 97 -6.749 14.085 3.531 1.00 0.00 C ATOM 1471 C THR A 97 -8.104 14.760 3.716 1.00 0.00 C ATOM 1472 O THR A 97 -9.039 14.516 2.954 1.00 0.00 O ATOM 1473 CB THR A 97 -5.662 15.169 3.402 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.879 15.942 2.217 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.276 14.541 3.358 1.00 0.00 C ATOM 0 H THR A 97 -7.130 13.619 1.523 1.00 0.00 H new ATOM 0 HA THR A 97 -6.532 13.466 4.401 1.00 0.00 H new ATOM 0 HB THR A 97 -5.722 15.819 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.549 16.854 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.524 15.325 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.103 13.977 4.275 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.207 13.871 2.501 1.00 0.00 H new ATOM 1483 N SER A 98 -8.202 15.609 4.734 1.00 0.00 N ATOM 1484 CA SER A 98 -9.444 16.317 5.020 1.00 0.00 C ATOM 1485 C SER A 98 -9.881 17.156 3.821 1.00 0.00 C ATOM 1486 O SER A 98 -11.067 17.434 3.645 1.00 0.00 O ATOM 1487 CB SER A 98 -9.274 17.214 6.247 1.00 0.00 C ATOM 1488 OG SER A 98 -10.527 17.679 6.718 1.00 0.00 O ATOM 0 H SER A 98 -7.437 15.823 5.374 1.00 0.00 H new ATOM 0 HA SER A 98 -10.216 15.575 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.767 16.661 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.639 18.063 5.995 1.00 0.00 H new ATOM 0 HG SER A 98 -10.390 18.249 7.504 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.914 17.552 3.002 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.197 18.358 1.820 1.00 0.00 C ATOM 1496 C ILE A 99 -9.822 17.512 0.716 1.00 0.00 C ATOM 1497 O ILE A 99 -10.981 17.702 0.354 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.922 19.030 1.277 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.284 19.909 2.355 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -8.241 19.849 0.037 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -8.210 20.983 2.882 1.00 0.00 C ATOM 0 H ILE A 99 -7.928 17.328 3.134 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.902 19.131 2.126 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.209 18.253 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.963 19.278 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.389 20.379 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.329 20.317 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.654 19.197 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.969 20.621 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.693 21.568 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.512 21.637 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.094 20.519 3.320 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.043 16.573 0.185 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.539 15.710 -0.873 1.00 0.00 C ATOM 1515 C GLY A 100 -8.874 14.348 -0.866 1.00 0.00 C ATOM 1516 O GLY A 100 -8.487 13.843 0.188 1.00 0.00 O ATOM 0 H GLY A 100 -8.079 16.395 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.616 15.586 -0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.371 16.189 -1.838 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.746 13.748 -2.045 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.125 12.435 -2.170 1.00 0.00 C ATOM 1522 C ASP A 101 -6.913 12.493 -3.094 1.00 0.00 C ATOM 1523 O ASP A 101 -6.754 13.436 -3.869 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.138 11.418 -2.700 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.081 12.019 -3.724 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.702 12.085 -4.911 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.197 12.425 -3.337 1.00 0.00 O ATOM 0 H ASP A 101 -9.064 14.150 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.790 12.122 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.606 10.579 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.717 11.019 -1.867 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.059 11.478 -3.007 1.00 0.00 N ATOM 1533 CA GLY A 102 -4.872 11.433 -3.839 1.00 0.00 C ATOM 1534 C GLY A 102 -4.907 10.295 -4.841 1.00 0.00 C ATOM 1535 O GLY A 102 -5.842 9.494 -4.869 1.00 0.00 O ATOM 0 H GLY A 102 -6.169 10.685 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.770 12.379 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.992 11.327 -3.205 1.00 0.00 H new ATOM 1539 N PRO A 103 -3.871 10.215 -5.689 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.766 9.171 -6.713 1.00 0.00 C ATOM 1541 C PRO A 103 -3.507 7.794 -6.114 1.00 0.00 C ATOM 1542 O PRO A 103 -2.915 7.675 -5.038 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.569 9.622 -7.556 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.749 10.455 -6.634 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.724 11.137 -5.714 1.00 0.00 C ATOM 0 HA PRO A 103 -4.690 9.063 -7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.002 8.768 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.891 10.194 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.047 9.839 -6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.159 11.185 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.303 11.282 -4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.008 12.121 -6.087 1.00 0.00 H new ATOM 1553 N LEU A 104 -3.953 6.757 -6.812 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.767 5.386 -6.349 1.00 0.00 C ATOM 1555 C LEU A 104 -2.376 4.873 -6.703 1.00 0.00 C ATOM 1556 O LEU A 104 -1.671 5.473 -7.515 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.831 4.473 -6.960 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.285 4.840 -6.659 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.090 4.930 -7.946 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.906 3.825 -5.710 1.00 0.00 C ATOM 0 H LEU A 104 -4.446 6.838 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.869 5.379 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.696 4.465 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.654 3.456 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.300 5.817 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.122 5.192 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.659 5.695 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.067 3.968 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.940 4.102 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.878 2.836 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.345 3.809 -4.776 1.00 0.00 H new ATOM 1572 N SER A 105 -1.988 3.759 -6.092 1.00 0.00 N ATOM 1573 CA SER A 105 -0.679 3.167 -6.342 1.00 0.00 C ATOM 1574 C SER A 105 -0.714 2.272 -7.577 1.00 0.00 C ATOM 1575 O SER A 105 -1.752 2.132 -8.225 1.00 0.00 O ATOM 1576 CB SER A 105 -0.220 2.358 -5.125 1.00 0.00 C ATOM 1577 OG SER A 105 -0.360 0.967 -5.357 1.00 0.00 O ATOM 0 H SER A 105 -2.561 3.248 -5.420 1.00 0.00 H new ATOM 0 HA SER A 105 0.030 3.976 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.821 2.590 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.805 2.645 -4.251 1.00 0.00 H new ATOM 0 HG SER A 105 -0.059 0.472 -4.567 1.00 0.00 H new ATOM 1583 N SER A 106 0.426 1.668 -7.896 1.00 0.00 N ATOM 1584 CA SER A 106 0.527 0.790 -9.056 1.00 0.00 C ATOM 1585 C SER A 106 -0.350 -0.445 -8.880 1.00 0.00 C ATOM 1586 O SER A 106 -0.169 -1.220 -7.941 1.00 0.00 O ATOM 1587 CB SER A 106 1.982 0.370 -9.278 1.00 0.00 C ATOM 1588 OG SER A 106 2.097 -0.494 -10.396 1.00 0.00 O ATOM 0 H SER A 106 1.293 1.770 -7.368 1.00 0.00 H new ATOM 0 HA SER A 106 0.178 1.340 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.600 1.255 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.360 -0.131 -8.387 1.00 0.00 H new ATOM 0 HG SER A 106 3.036 -0.747 -10.519 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.301 -0.622 -9.791 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.208 -1.763 -9.738 1.00 0.00 C ATOM 1596 C ASP A 107 -1.429 -3.072 -9.651 1.00 0.00 C ATOM 1597 O ASP A 107 -0.817 -3.507 -10.627 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.116 -1.777 -10.969 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.712 -0.415 -11.263 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.956 0.485 -11.687 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -4.935 -0.248 -11.071 1.00 0.00 O ATOM 0 H ASP A 107 -1.464 0.010 -10.575 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.823 -1.666 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.546 -2.115 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.920 -2.497 -10.816 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.456 -3.693 -8.477 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.753 -4.952 -8.264 1.00 0.00 C ATOM 1608 C ILE A 108 -1.732 -6.113 -8.123 1.00 0.00 C ATOM 1609 O ILE A 108 -2.894 -5.916 -7.771 1.00 0.00 O ATOM 1610 CB ILE A 108 0.139 -4.892 -7.010 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.653 -4.348 -5.819 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.367 -4.034 -7.273 1.00 0.00 C ATOM 1613 CD1 ILE A 108 0.066 -4.498 -4.496 1.00 0.00 C ATOM 0 H ILE A 108 -1.957 -3.345 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.125 -5.115 -9.140 1.00 0.00 H new ATOM 0 HB ILE A 108 0.471 -5.902 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.869 -3.293 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.611 -4.865 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.987 -4.002 -6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.940 -4.461 -8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.055 -3.023 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.554 -4.091 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.259 -5.554 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.012 -3.957 -4.533 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.252 -7.321 -8.399 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.087 -8.514 -8.303 1.00 0.00 C ATOM 1627 C GLN A 109 -1.366 -9.621 -7.541 1.00 0.00 C ATOM 1628 O GLN A 109 -0.185 -9.880 -7.770 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.473 -9.006 -9.698 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.359 -8.036 -10.462 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.085 -8.045 -11.953 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -2.260 -8.820 -12.440 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -3.778 -7.183 -12.688 1.00 0.00 N ATOM 0 H GLN A 109 -0.291 -7.500 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.992 -8.251 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.566 -9.187 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.989 -9.962 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.404 -8.290 -10.287 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.207 -7.029 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.451 -6.559 -12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.637 -7.145 -13.697 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.086 -10.272 -6.633 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.515 -11.352 -5.837 1.00 0.00 C ATOM 1644 C VAL A 110 -2.436 -12.568 -5.820 1.00 0.00 C ATOM 1645 O VAL A 110 -3.639 -12.444 -5.581 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.249 -10.902 -4.387 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.520 -10.354 -3.757 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.692 -12.055 -3.567 1.00 0.00 C ATOM 0 H VAL A 110 -3.065 -10.071 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.568 -11.623 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.506 -10.104 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.313 -10.041 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.872 -9.499 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.287 -11.129 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.510 -11.720 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.410 -12.875 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.244 -12.397 -4.009 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.865 -13.740 -6.073 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.634 -14.978 -6.086 1.00 0.00 C ATOM 1660 C ILE A 111 -2.700 -15.598 -4.694 1.00 0.00 C ATOM 1661 O ILE A 111 -1.675 -15.795 -4.040 1.00 0.00 O ATOM 1662 CB ILE A 111 -2.035 -16.004 -7.065 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -2.071 -15.460 -8.493 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.786 -17.324 -6.974 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.812 -15.745 -9.282 1.00 0.00 C ATOM 0 H ILE A 111 -0.872 -13.859 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.641 -14.720 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.995 -16.182 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.923 -15.893 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.232 -14.383 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.351 -18.039 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.711 -17.716 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.835 -17.164 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.909 -15.330 -10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.042 -15.288 -8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.660 -16.822 -9.348 1.00 0.00 H new ATOM 1677 N THR A 112 -3.913 -15.905 -4.246 1.00 0.00 N ATOM 1678 CA THR A 112 -4.114 -16.504 -2.932 1.00 0.00 C ATOM 1679 C THR A 112 -3.494 -17.895 -2.861 1.00 0.00 C ATOM 1680 O THR A 112 -4.142 -18.889 -3.184 1.00 0.00 O ATOM 1681 CB THR A 112 -5.611 -16.602 -2.583 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.328 -17.207 -3.665 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.190 -15.227 -2.289 1.00 0.00 C ATOM 0 H THR A 112 -4.772 -15.749 -4.774 1.00 0.00 H new ATOM 0 HA THR A 112 -3.622 -15.853 -2.209 1.00 0.00 H new ATOM 0 HB THR A 112 -5.713 -17.219 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.183 -17.555 -3.337 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.248 -15.322 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.662 -14.783 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.076 -14.589 -3.165 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.236 -17.956 -2.435 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.530 -19.226 -2.322 1.00 0.00 C ATOM 1693 C GLN A 113 -0.573 -19.213 -1.136 1.00 0.00 C ATOM 1694 O GLN A 113 0.080 -18.205 -0.861 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.760 -19.522 -3.611 1.00 0.00 C ATOM 1696 CG GLN A 113 0.410 -18.581 -3.850 1.00 0.00 C ATOM 1697 CD GLN A 113 0.956 -18.674 -5.261 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.920 -19.735 -5.884 1.00 0.00 O ATOM 1699 NE2 GLN A 113 1.464 -17.559 -5.775 1.00 0.00 N ATOM 0 H GLN A 113 -1.686 -17.141 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.269 -20.011 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.390 -20.547 -3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.445 -19.459 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.093 -17.557 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.206 -18.810 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.474 -16.701 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.844 -17.561 -6.721 1.00 0.00 H new