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 90 SER OG : rot -44:sc= 0.185 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.875 K(o=-0.69,f=-3!) USER MOD Set 2.1: A 58 MET CE :methyl -169:sc= -1.74 (180deg=-0.487) USER MOD Set 2.2: A 89 TYR OH : rot 15:sc= -0.639 USER MOD Set 3.1: A 56 TYR OH : rot 180:sc= -0.0712 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.171 X(o=-0.066,f=-0.32) USER MOD Set 3.3: A 78 THR OG1 : rot 173:sc= 0.177 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 SER OG : rot -43:sc= 0.992 USER MOD Single : A 20 SER OG : rot 100:sc= -0.0348 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 145:sc= -3.73 (180deg=-5.49!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 38 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.4) USER MOD Single : A 52 TYR OH : rot -172:sc= -1.28! USER MOD Single : A 55 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -159:sc= -0.123 (180deg=-0.785) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.022) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.0277 USER MOD Single : A 82 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.7) USER MOD Single : A 86 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.2!) 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 92 LYS NZ :NH3+ 150:sc= 0.357 (180deg=0.04) USER MOD Single : A 97 THR OG1 : rot 170:sc= -1.28 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -140:sc= -0.0957 USER MOD Single : A 106 SER OG : rot 180:sc= 0.12 USER MOD Single : A 112 THR OG1 : rot -156:sc= 0.296 USER MOD Single : A 113 GLN :FLIP amide:sc= 0.986 F(o=-0.4,f=0.99) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.628 21.074 1.797 1.00 0.00 N ATOM 187 CA GLN A 16 -4.293 20.554 0.609 1.00 0.00 C ATOM 188 C GLN A 16 -4.323 19.029 0.625 1.00 0.00 C ATOM 189 O GLN A 16 -3.711 18.396 1.484 1.00 0.00 O ATOM 190 CB GLN A 16 -3.588 21.049 -0.655 1.00 0.00 C ATOM 191 CG GLN A 16 -2.072 20.961 -0.579 1.00 0.00 C ATOM 192 CD GLN A 16 -1.390 21.564 -1.791 1.00 0.00 C ATOM 193 OE1 GLN A 16 -1.900 21.481 -2.909 1.00 0.00 O ATOM 194 NE2 GLN A 16 -0.233 22.177 -1.576 1.00 0.00 N ATOM 0 HA GLN A 16 -5.320 20.919 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.935 20.465 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.875 22.084 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.727 21.473 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.777 19.916 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.153 22.222 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.271 22.603 -2.354 1.00 0.00 H new ATOM 203 N ALA A 17 -5.038 18.446 -0.331 1.00 0.00 N ATOM 204 CA ALA A 17 -5.145 16.995 -0.428 1.00 0.00 C ATOM 205 C ALA A 17 -3.820 16.374 -0.856 1.00 0.00 C ATOM 206 O ALA A 17 -2.952 17.036 -1.425 1.00 0.00 O ATOM 207 CB ALA A 17 -6.249 16.612 -1.403 1.00 0.00 C ATOM 0 H ALA A 17 -5.552 18.956 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.396 16.607 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.318 15.526 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.199 17.016 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.022 17.019 -2.388 1.00 0.00 H new ATOM 213 N PRO A 18 -3.658 15.072 -0.575 1.00 0.00 N ATOM 214 CA PRO A 18 -2.440 14.334 -0.922 1.00 0.00 C ATOM 215 C PRO A 18 -2.295 14.128 -2.427 1.00 0.00 C ATOM 216 O PRO A 18 -3.164 13.537 -3.068 1.00 0.00 O ATOM 217 CB PRO A 18 -2.627 12.989 -0.214 1.00 0.00 C ATOM 218 CG PRO A 18 -4.103 12.833 -0.081 1.00 0.00 C ATOM 219 CD PRO A 18 -4.651 14.222 0.102 1.00 0.00 C ATOM 0 HA PRO A 18 -1.539 14.869 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.193 12.173 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.139 12.983 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.527 12.360 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.353 12.199 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.640 14.326 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.749 14.480 1.157 1.00 0.00 H new ATOM 227 N SER A 19 -1.193 14.619 -2.982 1.00 0.00 N ATOM 228 CA SER A 19 -0.937 14.492 -4.412 1.00 0.00 C ATOM 229 C SER A 19 0.182 13.489 -4.676 1.00 0.00 C ATOM 230 O SER A 19 0.876 13.567 -5.691 1.00 0.00 O ATOM 231 CB SER A 19 -0.568 15.851 -5.008 1.00 0.00 C ATOM 232 OG SER A 19 -0.394 15.763 -6.412 1.00 0.00 O ATOM 0 H SER A 19 -0.463 15.108 -2.464 1.00 0.00 H new ATOM 0 HA SER A 19 -1.848 14.129 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.350 16.576 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.350 16.217 -4.547 1.00 0.00 H new ATOM 0 HG SER A 19 0.116 14.955 -6.628 1.00 0.00 H new ATOM 238 N SER A 20 0.351 12.545 -3.755 1.00 0.00 N ATOM 239 CA SER A 20 1.387 11.526 -3.887 1.00 0.00 C ATOM 240 C SER A 20 0.842 10.147 -3.526 1.00 0.00 C ATOM 241 O SER A 20 0.385 9.922 -2.406 1.00 0.00 O ATOM 242 CB SER A 20 2.580 11.865 -2.990 1.00 0.00 C ATOM 243 OG SER A 20 3.719 11.101 -3.348 1.00 0.00 O ATOM 0 H SER A 20 -0.215 12.464 -2.910 1.00 0.00 H new ATOM 0 HA SER A 20 1.715 11.508 -4.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.810 12.927 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.322 11.674 -1.948 1.00 0.00 H new ATOM 0 HG SER A 20 4.319 11.646 -3.899 1.00 0.00 H new ATOM 249 N ALA A 21 0.893 9.229 -4.485 1.00 0.00 N ATOM 250 CA ALA A 21 0.406 7.872 -4.270 1.00 0.00 C ATOM 251 C ALA A 21 1.311 7.111 -3.307 1.00 0.00 C ATOM 252 O ALA A 21 2.488 7.433 -3.136 1.00 0.00 O ATOM 253 CB ALA A 21 0.304 7.132 -5.596 1.00 0.00 C ATOM 0 H ALA A 21 1.267 9.400 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.586 7.935 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.061 6.120 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.388 7.658 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.287 7.087 -6.064 1.00 0.00 H new ATOM 259 N PRO A 22 0.750 6.079 -2.658 1.00 0.00 N ATOM 260 CA PRO A 22 1.490 5.250 -1.700 1.00 0.00 C ATOM 261 C PRO A 22 2.544 4.382 -2.377 1.00 0.00 C ATOM 262 O PRO A 22 2.342 3.900 -3.492 1.00 0.00 O ATOM 263 CB PRO A 22 0.400 4.378 -1.072 1.00 0.00 C ATOM 264 CG PRO A 22 -0.676 4.314 -2.102 1.00 0.00 C ATOM 265 CD PRO A 22 -0.647 5.639 -2.813 1.00 0.00 C ATOM 0 HA PRO A 22 2.041 5.853 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.778 3.384 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.032 4.812 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.502 3.494 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.648 4.140 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.922 5.538 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.344 6.349 -2.368 1.00 0.00 H new ATOM 273 N ARG A 23 3.668 4.185 -1.696 1.00 0.00 N ATOM 274 CA ARG A 23 4.755 3.374 -2.232 1.00 0.00 C ATOM 275 C ARG A 23 5.131 2.258 -1.262 1.00 0.00 C ATOM 276 O ARG A 23 4.625 2.201 -0.140 1.00 0.00 O ATOM 277 CB ARG A 23 5.976 4.248 -2.520 1.00 0.00 C ATOM 278 CG ARG A 23 5.637 5.570 -3.186 1.00 0.00 C ATOM 279 CD ARG A 23 6.884 6.273 -3.699 1.00 0.00 C ATOM 280 NE ARG A 23 7.950 6.292 -2.699 1.00 0.00 N ATOM 281 CZ ARG A 23 9.223 6.547 -2.986 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.584 6.803 -4.235 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.134 6.548 -2.021 1.00 0.00 N ATOM 0 H ARG A 23 3.850 4.576 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 23 4.413 2.921 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.499 4.446 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.665 3.695 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.950 5.396 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.121 6.215 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.239 5.771 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.634 7.295 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 23 7.704 6.099 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.885 6.805 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.561 6.998 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.858 6.353 -1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.110 6.744 -2.242 1.00 0.00 H new ATOM 297 N ASP A 24 6.017 1.372 -1.702 1.00 0.00 N ATOM 298 CA ASP A 24 6.461 0.259 -0.871 1.00 0.00 C ATOM 299 C ASP A 24 5.270 -0.541 -0.353 1.00 0.00 C ATOM 300 O ASP A 24 5.293 -1.050 0.767 1.00 0.00 O ATOM 301 CB ASP A 24 7.298 0.771 0.302 1.00 0.00 C ATOM 302 CG ASP A 24 8.565 -0.036 0.505 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.475 -1.161 1.040 1.00 0.00 O ATOM 304 OD2 ASP A 24 9.650 0.458 0.127 1.00 0.00 O ATOM 0 H ASP A 24 6.442 1.403 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 24 7.077 -0.398 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.559 1.815 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.700 0.738 1.213 1.00 0.00 H new ATOM 309 N VAL A 25 4.231 -0.646 -1.175 1.00 0.00 N ATOM 310 CA VAL A 25 3.031 -1.383 -0.800 1.00 0.00 C ATOM 311 C VAL A 25 2.974 -2.735 -1.501 1.00 0.00 C ATOM 312 O VAL A 25 3.422 -2.873 -2.639 1.00 0.00 O ATOM 313 CB VAL A 25 1.755 -0.588 -1.137 1.00 0.00 C ATOM 314 CG1 VAL A 25 1.714 -0.248 -2.620 1.00 0.00 C ATOM 315 CG2 VAL A 25 0.516 -1.369 -0.726 1.00 0.00 C ATOM 0 H VAL A 25 4.196 -0.230 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 25 3.080 -1.538 0.278 1.00 0.00 H new ATOM 0 HB VAL A 25 1.770 0.346 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.806 0.313 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.585 0.354 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.722 -1.168 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.376 -0.792 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.492 -2.319 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.543 -1.556 0.348 1.00 0.00 H new ATOM 325 N GLN A 26 2.421 -3.729 -0.814 1.00 0.00 N ATOM 326 CA GLN A 26 2.307 -5.072 -1.374 1.00 0.00 C ATOM 327 C GLN A 26 1.347 -5.923 -0.549 1.00 0.00 C ATOM 328 O GLN A 26 0.791 -5.462 0.446 1.00 0.00 O ATOM 329 CB GLN A 26 3.680 -5.740 -1.432 1.00 0.00 C ATOM 330 CG GLN A 26 4.367 -5.605 -2.782 1.00 0.00 C ATOM 331 CD GLN A 26 4.622 -6.944 -3.445 1.00 0.00 C ATOM 332 OE1 GLN A 26 5.589 -7.634 -3.122 1.00 0.00 O ATOM 333 NE2 GLN A 26 3.755 -7.318 -4.377 1.00 0.00 N ATOM 0 H GLN A 26 2.045 -3.631 0.129 1.00 0.00 H new ATOM 0 HA GLN A 26 1.911 -4.986 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.319 -5.305 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.570 -6.798 -1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.751 -4.990 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.315 -5.082 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.968 -6.714 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.876 -8.209 -4.858 1.00 0.00 H new ATOM 342 N ALA A 27 1.159 -7.170 -0.971 1.00 0.00 N ATOM 343 CA ALA A 27 0.269 -8.087 -0.269 1.00 0.00 C ATOM 344 C ALA A 27 0.971 -9.406 0.038 1.00 0.00 C ATOM 345 O ALA A 27 1.444 -10.094 -0.866 1.00 0.00 O ATOM 346 CB ALA A 27 -0.986 -8.336 -1.093 1.00 0.00 C ATOM 0 H ALA A 27 1.611 -7.568 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.014 -7.627 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.642 -9.022 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.505 -7.392 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.710 -8.772 -2.053 1.00 0.00 H new ATOM 352 N ARG A 28 1.036 -9.751 1.320 1.00 0.00 N ATOM 353 CA ARG A 28 1.681 -10.986 1.748 1.00 0.00 C ATOM 354 C ARG A 28 0.658 -11.970 2.305 1.00 0.00 C ATOM 355 O ARG A 28 -0.097 -11.644 3.220 1.00 0.00 O ATOM 356 CB ARG A 28 2.748 -10.689 2.803 1.00 0.00 C ATOM 357 CG ARG A 28 2.198 -10.023 4.054 1.00 0.00 C ATOM 358 CD ARG A 28 3.306 -9.387 4.879 1.00 0.00 C ATOM 359 NE ARG A 28 3.280 -9.839 6.269 1.00 0.00 N ATOM 360 CZ ARG A 28 4.275 -9.636 7.125 1.00 0.00 C ATOM 361 NH1 ARG A 28 5.367 -8.992 6.738 1.00 0.00 N ATOM 362 NH2 ARG A 28 4.178 -10.076 8.373 1.00 0.00 N ATOM 0 H ARG A 28 0.649 -9.192 2.081 1.00 0.00 H new ATOM 0 HA ARG A 28 2.156 -11.439 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.239 -11.621 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.511 -10.046 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.470 -9.262 3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.670 -10.761 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.272 -9.629 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.204 -8.302 4.848 1.00 0.00 H new ATOM 0 HE ARG A 28 2.453 -10.337 6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.445 -8.650 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.129 -8.838 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.339 -10.571 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.943 -9.920 9.030 1.00 0.00 H new ATOM 376 N MET A 29 0.639 -13.176 1.745 1.00 0.00 N ATOM 377 CA MET A 29 -0.292 -14.208 2.188 1.00 0.00 C ATOM 378 C MET A 29 0.224 -14.904 3.443 1.00 0.00 C ATOM 379 O MET A 29 1.388 -15.302 3.510 1.00 0.00 O ATOM 380 CB MET A 29 -0.514 -15.235 1.074 1.00 0.00 C ATOM 381 CG MET A 29 -1.880 -15.130 0.414 1.00 0.00 C ATOM 382 SD MET A 29 -3.232 -15.471 1.556 1.00 0.00 S ATOM 383 CE MET A 29 -4.105 -16.760 0.672 1.00 0.00 C ATOM 0 H MET A 29 1.256 -13.462 0.985 1.00 0.00 H new ATOM 0 HA MET A 29 -1.242 -13.729 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.258 -15.108 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.395 -16.237 1.486 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.003 -14.129 0.000 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.930 -15.829 -0.421 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.516 -17.475 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.915 -16.319 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.415 -17.272 0.001 1.00 0.00 H new ATOM 393 N LEU A 30 -0.647 -15.048 4.434 1.00 0.00 N ATOM 394 CA LEU A 30 -0.280 -15.697 5.689 1.00 0.00 C ATOM 395 C LEU A 30 -1.109 -16.957 5.914 1.00 0.00 C ATOM 396 O LEU A 30 -0.668 -17.893 6.581 1.00 0.00 O ATOM 397 CB LEU A 30 -0.468 -14.731 6.859 1.00 0.00 C ATOM 398 CG LEU A 30 -0.096 -13.272 6.593 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.579 -12.382 7.727 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.408 -13.131 6.407 1.00 0.00 C ATOM 0 H LEU A 30 -1.613 -14.724 4.394 1.00 0.00 H new ATOM 0 HA LEU A 30 0.770 -15.983 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.512 -14.768 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.127 -15.089 7.699 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.588 -12.954 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.305 -11.348 7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.663 -12.460 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.116 -12.700 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.655 -12.086 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.919 -13.468 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.728 -13.738 5.560 1.00 0.00 H new ATOM 412 N SER A 31 -2.314 -16.974 5.352 1.00 0.00 N ATOM 413 CA SER A 31 -3.207 -18.119 5.494 1.00 0.00 C ATOM 414 C SER A 31 -3.724 -18.576 4.133 1.00 0.00 C ATOM 415 O SER A 31 -3.226 -18.147 3.091 1.00 0.00 O ATOM 416 CB SER A 31 -4.383 -17.765 6.406 1.00 0.00 C ATOM 417 OG SER A 31 -4.499 -18.693 7.471 1.00 0.00 O ATOM 0 H SER A 31 -2.694 -16.209 4.795 1.00 0.00 H new ATOM 0 HA SER A 31 -2.642 -18.936 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.247 -16.761 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.306 -17.754 5.827 1.00 0.00 H new ATOM 0 HG SER A 31 -5.257 -18.444 8.041 1.00 0.00 H new ATOM 423 N SER A 32 -4.726 -19.448 4.151 1.00 0.00 N ATOM 424 CA SER A 32 -5.308 -19.969 2.918 1.00 0.00 C ATOM 425 C SER A 32 -6.453 -19.079 2.442 1.00 0.00 C ATOM 426 O SER A 32 -6.972 -19.250 1.338 1.00 0.00 O ATOM 427 CB SER A 32 -5.811 -21.396 3.130 1.00 0.00 C ATOM 428 OG SER A 32 -6.492 -21.520 4.366 1.00 0.00 O ATOM 0 H SER A 32 -5.152 -19.809 5.004 1.00 0.00 H new ATOM 0 HA SER A 32 -4.532 -19.976 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.478 -21.674 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.970 -22.089 3.104 1.00 0.00 H new ATOM 0 HG SER A 32 -6.805 -22.442 4.476 1.00 0.00 H new ATOM 434 N THR A 33 -6.845 -18.127 3.285 1.00 0.00 N ATOM 435 CA THR A 33 -7.929 -17.212 2.952 1.00 0.00 C ATOM 436 C THR A 33 -7.793 -15.899 3.716 1.00 0.00 C ATOM 437 O THR A 33 -8.790 -15.271 4.075 1.00 0.00 O ATOM 438 CB THR A 33 -9.304 -17.832 3.261 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.264 -18.509 4.522 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.713 -18.810 2.168 1.00 0.00 C ATOM 0 H THR A 33 -6.428 -17.971 4.202 1.00 0.00 H new ATOM 0 HA THR A 33 -7.860 -17.017 1.882 1.00 0.00 H new ATOM 0 HB THR A 33 -10.040 -17.029 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.143 -18.899 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.687 -19.236 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.770 -18.286 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.975 -19.609 2.100 1.00 0.00 H new ATOM 448 N THR A 34 -6.554 -15.488 3.961 1.00 0.00 N ATOM 449 CA THR A 34 -6.288 -14.250 4.684 1.00 0.00 C ATOM 450 C THR A 34 -5.004 -13.593 4.193 1.00 0.00 C ATOM 451 O THR A 34 -3.922 -14.176 4.283 1.00 0.00 O ATOM 452 CB THR A 34 -6.178 -14.497 6.199 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.886 -15.690 6.554 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.738 -13.317 6.982 1.00 0.00 C ATOM 0 H THR A 34 -5.718 -15.994 3.670 1.00 0.00 H new ATOM 0 HA THR A 34 -7.130 -13.585 4.493 1.00 0.00 H new ATOM 0 HB THR A 34 -5.124 -14.612 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.810 -15.841 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.650 -13.514 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.178 -12.416 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.788 -13.175 6.725 1.00 0.00 H new ATOM 462 N ILE A 35 -5.127 -12.374 3.675 1.00 0.00 N ATOM 463 CA ILE A 35 -3.975 -11.638 3.172 1.00 0.00 C ATOM 464 C ILE A 35 -3.683 -10.417 4.038 1.00 0.00 C ATOM 465 O ILE A 35 -4.414 -10.123 4.984 1.00 0.00 O ATOM 466 CB ILE A 35 -4.188 -11.181 1.717 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.369 -10.211 1.633 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.419 -12.384 0.814 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.531 -9.574 0.270 1.00 0.00 C ATOM 0 H ILE A 35 -6.014 -11.876 3.593 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.125 -12.320 3.209 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.291 -10.663 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.285 -10.744 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.239 -9.427 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.568 -12.046 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.552 -13.043 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.303 -12.926 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.387 -8.899 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.630 -9.013 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.693 -10.351 -0.478 1.00 0.00 H new ATOM 481 N LEU A 36 -2.607 -9.708 3.709 1.00 0.00 N ATOM 482 CA LEU A 36 -2.219 -8.517 4.455 1.00 0.00 C ATOM 483 C LEU A 36 -1.577 -7.483 3.535 1.00 0.00 C ATOM 484 O LEU A 36 -0.572 -7.759 2.879 1.00 0.00 O ATOM 485 CB LEU A 36 -1.250 -8.888 5.578 1.00 0.00 C ATOM 486 CG LEU A 36 -0.924 -7.778 6.578 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.484 -8.372 7.908 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.152 -6.856 6.021 1.00 0.00 C ATOM 0 H LEU A 36 -1.989 -9.938 2.931 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.119 -8.081 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.667 -9.732 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.318 -9.229 5.128 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.826 -7.189 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.256 -7.568 8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.285 -8.990 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.405 -8.984 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.371 -6.072 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.057 -7.431 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.200 -6.404 5.094 1.00 0.00 H new ATOM 500 N VAL A 37 -2.163 -6.291 3.493 1.00 0.00 N ATOM 501 CA VAL A 37 -1.648 -5.215 2.655 1.00 0.00 C ATOM 502 C VAL A 37 -1.098 -4.074 3.504 1.00 0.00 C ATOM 503 O VAL A 37 -1.814 -3.494 4.320 1.00 0.00 O ATOM 504 CB VAL A 37 -2.736 -4.662 1.716 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.197 -3.497 0.899 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.262 -5.763 0.806 1.00 0.00 C ATOM 0 H VAL A 37 -2.995 -6.046 4.030 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.844 -5.640 2.055 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.564 -4.295 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.981 -3.120 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.872 -2.702 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.351 -3.834 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.030 -5.356 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.444 -6.160 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.689 -6.562 1.411 1.00 0.00 H new ATOM 516 N GLN A 38 0.178 -3.758 3.307 1.00 0.00 N ATOM 517 CA GLN A 38 0.823 -2.685 4.055 1.00 0.00 C ATOM 518 C GLN A 38 1.586 -1.752 3.121 1.00 0.00 C ATOM 519 O GLN A 38 2.444 -2.191 2.354 1.00 0.00 O ATOM 520 CB GLN A 38 1.773 -3.266 5.102 1.00 0.00 C ATOM 521 CG GLN A 38 2.877 -4.128 4.511 1.00 0.00 C ATOM 522 CD GLN A 38 3.704 -4.827 5.572 1.00 0.00 C ATOM 523 OE1 GLN A 38 3.664 -6.051 5.702 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.461 -4.050 6.339 1.00 0.00 N ATOM 0 H GLN A 38 0.785 -4.229 2.636 1.00 0.00 H new ATOM 0 HA GLN A 38 0.046 -2.109 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.224 -2.449 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.198 -3.862 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.436 -4.874 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.530 -3.506 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.464 -3.040 6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.039 -4.463 7.070 1.00 0.00 H new ATOM 533 N TRP A 39 1.269 -0.465 3.189 1.00 0.00 N ATOM 534 CA TRP A 39 1.924 0.531 2.348 1.00 0.00 C ATOM 535 C TRP A 39 2.765 1.485 3.189 1.00 0.00 C ATOM 536 O TRP A 39 2.770 1.406 4.417 1.00 0.00 O ATOM 537 CB TRP A 39 0.885 1.317 1.547 1.00 0.00 C ATOM 538 CG TRP A 39 -0.195 1.912 2.399 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.278 3.205 2.832 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.344 1.237 2.923 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.410 3.373 3.593 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.080 2.181 3.663 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.822 -0.073 2.837 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.268 1.856 4.313 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -3.001 -0.396 3.483 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.714 0.565 4.213 1.00 0.00 C ATOM 0 H TRP A 39 0.562 -0.085 3.818 1.00 0.00 H new ATOM 0 HA TRP A 39 2.584 0.008 1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.386 2.115 0.999 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.432 0.657 0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.440 3.981 2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.703 4.245 4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.280 -0.820 2.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.818 2.596 4.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.379 -1.406 3.424 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.632 0.282 4.706 1.00 0.00 H new ATOM 557 N LYS A 40 3.476 2.386 2.520 1.00 0.00 N ATOM 558 CA LYS A 40 4.320 3.357 3.205 1.00 0.00 C ATOM 559 C LYS A 40 3.838 4.781 2.942 1.00 0.00 C ATOM 560 O LYS A 40 3.288 5.071 1.879 1.00 0.00 O ATOM 561 CB LYS A 40 5.774 3.209 2.753 1.00 0.00 C ATOM 562 CG LYS A 40 6.572 2.220 3.586 1.00 0.00 C ATOM 563 CD LYS A 40 8.043 2.231 3.207 1.00 0.00 C ATOM 564 CE LYS A 40 8.703 0.893 3.499 1.00 0.00 C ATOM 565 NZ LYS A 40 8.783 0.619 4.960 1.00 0.00 N ATOM 0 H LYS A 40 3.484 2.464 1.503 1.00 0.00 H new ATOM 0 HA LYS A 40 4.257 3.163 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.791 2.890 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.260 4.184 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.466 2.464 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.167 1.217 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.145 2.465 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.556 3.019 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.141 0.097 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.706 0.883 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.239 -0.302 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.341 1.364 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.824 0.603 5.363 1.00 0.00 H new ATOM 579 N GLU A 41 4.048 5.661 3.914 1.00 0.00 N ATOM 580 CA GLU A 41 3.634 7.055 3.783 1.00 0.00 C ATOM 581 C GLU A 41 4.143 7.654 2.476 1.00 0.00 C ATOM 582 O GLU A 41 5.193 7.272 1.955 1.00 0.00 O ATOM 583 CB GLU A 41 4.149 7.875 4.969 1.00 0.00 C ATOM 584 CG GLU A 41 3.085 8.172 6.011 1.00 0.00 C ATOM 585 CD GLU A 41 3.473 9.313 6.932 1.00 0.00 C ATOM 586 OE1 GLU A 41 4.468 10.005 6.630 1.00 0.00 O ATOM 587 OE2 GLU A 41 2.782 9.514 7.952 1.00 0.00 O ATOM 0 H GLU A 41 4.501 5.436 4.800 1.00 0.00 H new ATOM 0 HA GLU A 41 2.544 7.085 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.970 7.337 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.557 8.816 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.149 8.417 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.903 7.276 6.605 1.00 0.00 H new ATOM 594 N PRO A 42 3.383 8.615 1.931 1.00 0.00 N ATOM 595 CA PRO A 42 3.736 9.288 0.678 1.00 0.00 C ATOM 596 C PRO A 42 4.950 10.197 0.829 1.00 0.00 C ATOM 597 O PRO A 42 5.433 10.422 1.940 1.00 0.00 O ATOM 598 CB PRO A 42 2.487 10.111 0.352 1.00 0.00 C ATOM 599 CG PRO A 42 1.833 10.342 1.671 1.00 0.00 C ATOM 600 CD PRO A 42 2.120 9.119 2.496 1.00 0.00 C ATOM 0 HA PRO A 42 4.010 8.578 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.748 11.053 -0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.826 9.575 -0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.228 11.238 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.760 10.490 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.222 9.363 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.321 8.382 2.414 1.00 0.00 H new ATOM 608 N GLU A 43 5.437 10.720 -0.291 1.00 0.00 N ATOM 609 CA GLU A 43 6.595 11.605 -0.281 1.00 0.00 C ATOM 610 C GLU A 43 6.170 13.062 -0.448 1.00 0.00 C ATOM 611 O GLU A 43 7.002 13.941 -0.664 1.00 0.00 O ATOM 612 CB GLU A 43 7.574 11.218 -1.392 1.00 0.00 C ATOM 613 CG GLU A 43 7.053 11.510 -2.789 1.00 0.00 C ATOM 614 CD GLU A 43 8.106 11.298 -3.860 1.00 0.00 C ATOM 615 OE1 GLU A 43 9.187 10.766 -3.531 1.00 0.00 O ATOM 616 OE2 GLU A 43 7.849 11.664 -5.026 1.00 0.00 O ATOM 0 H GLU A 43 5.047 10.546 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 43 7.091 11.497 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.511 11.755 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.800 10.155 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.196 10.868 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.698 12.540 -2.833 1.00 0.00 H new ATOM 623 N GLU A 44 4.866 13.304 -0.348 1.00 0.00 N ATOM 624 CA GLU A 44 4.329 14.652 -0.491 1.00 0.00 C ATOM 625 C GLU A 44 2.878 14.712 -0.019 1.00 0.00 C ATOM 626 O GLU A 44 1.943 14.793 -0.817 1.00 0.00 O ATOM 627 CB GLU A 44 4.424 15.112 -1.946 1.00 0.00 C ATOM 628 CG GLU A 44 5.650 15.961 -2.238 1.00 0.00 C ATOM 629 CD GLU A 44 5.350 17.121 -3.167 1.00 0.00 C ATOM 630 OE1 GLU A 44 4.360 17.840 -2.916 1.00 0.00 O ATOM 631 OE2 GLU A 44 6.103 17.310 -4.144 1.00 0.00 O ATOM 0 H GLU A 44 4.164 12.586 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 44 4.924 15.320 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.436 14.236 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.530 15.682 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.052 16.346 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.423 15.335 -2.683 1.00 0.00 H new ATOM 638 N PRO A 45 2.685 14.672 1.308 1.00 0.00 N ATOM 639 CA PRO A 45 1.352 14.720 1.915 1.00 0.00 C ATOM 640 C PRO A 45 0.624 16.026 1.612 1.00 0.00 C ATOM 641 O PRO A 45 -0.501 16.019 1.115 1.00 0.00 O ATOM 642 CB PRO A 45 1.640 14.603 3.413 1.00 0.00 C ATOM 643 CG PRO A 45 3.066 15.007 3.557 1.00 0.00 C ATOM 644 CD PRO A 45 3.753 14.577 2.316 1.00 0.00 C ATOM 0 HA PRO A 45 0.700 13.936 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.984 15.251 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.479 13.585 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.152 16.085 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.516 14.538 4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.597 15.224 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.143 13.562 2.399 1.00 0.00 H new ATOM 652 N ASN A 46 1.274 17.144 1.916 1.00 0.00 N ATOM 653 CA ASN A 46 0.689 18.458 1.677 1.00 0.00 C ATOM 654 C ASN A 46 -0.567 18.657 2.521 1.00 0.00 C ATOM 655 O ASN A 46 -1.439 19.452 2.177 1.00 0.00 O ATOM 656 CB ASN A 46 0.352 18.628 0.195 1.00 0.00 C ATOM 657 CG ASN A 46 1.366 17.954 -0.709 1.00 0.00 C ATOM 658 OD1 ASN A 46 2.572 18.024 -0.471 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.880 17.293 -1.755 1.00 0.00 N ATOM 0 H ASN A 46 2.207 17.166 2.329 1.00 0.00 H new ATOM 0 HA ASN A 46 1.422 19.211 1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.637 18.213 0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.305 19.690 -0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.514 16.818 -2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.127 17.260 -1.915 1.00 0.00 H new ATOM 666 N GLY A 47 -0.651 17.924 3.628 1.00 0.00 N ATOM 667 CA GLY A 47 -1.803 18.033 4.504 1.00 0.00 C ATOM 668 C GLY A 47 -1.750 17.051 5.656 1.00 0.00 C ATOM 669 O GLY A 47 -0.721 16.419 5.895 1.00 0.00 O ATOM 0 H GLY A 47 0.058 17.257 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.861 19.048 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.712 17.863 3.927 1.00 0.00 H new ATOM 673 N GLN A 48 -2.861 16.924 6.375 1.00 0.00 N ATOM 674 CA GLN A 48 -2.935 16.013 7.511 1.00 0.00 C ATOM 675 C GLN A 48 -3.621 14.708 7.118 1.00 0.00 C ATOM 676 O GLN A 48 -4.824 14.683 6.854 1.00 0.00 O ATOM 677 CB GLN A 48 -3.688 16.669 8.670 1.00 0.00 C ATOM 678 CG GLN A 48 -2.815 16.941 9.884 1.00 0.00 C ATOM 679 CD GLN A 48 -3.480 17.864 10.886 1.00 0.00 C ATOM 680 OE1 GLN A 48 -3.115 19.033 11.008 1.00 0.00 O ATOM 681 NE2 GLN A 48 -4.464 17.342 11.610 1.00 0.00 N ATOM 0 H GLN A 48 -3.721 17.440 6.191 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.918 15.787 7.830 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.121 17.608 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.517 16.025 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.572 15.997 10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.873 17.383 9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.734 16.368 11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.949 17.916 12.300 1.00 0.00 H new ATOM 690 N ILE A 49 -2.849 13.627 7.082 1.00 0.00 N ATOM 691 CA ILE A 49 -3.382 12.320 6.721 1.00 0.00 C ATOM 692 C ILE A 49 -4.402 11.840 7.750 1.00 0.00 C ATOM 693 O ILE A 49 -4.152 11.885 8.953 1.00 0.00 O ATOM 694 CB ILE A 49 -2.264 11.268 6.598 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.155 11.779 5.673 1.00 0.00 C ATOM 696 CG2 ILE A 49 -2.826 9.953 6.082 1.00 0.00 C ATOM 697 CD1 ILE A 49 -1.616 12.018 4.253 1.00 0.00 C ATOM 0 H ILE A 49 -1.852 13.631 7.299 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.869 12.436 5.753 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.839 11.094 7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.755 12.709 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.338 11.057 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.023 9.221 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.584 9.585 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.275 10.109 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.779 12.379 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.989 11.085 3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.412 12.762 4.249 1.00 0.00 H new ATOM 709 N GLN A 50 -5.551 11.380 7.265 1.00 0.00 N ATOM 710 CA GLN A 50 -6.609 10.891 8.142 1.00 0.00 C ATOM 711 C GLN A 50 -6.833 9.395 7.943 1.00 0.00 C ATOM 712 O GLN A 50 -7.300 8.703 8.845 1.00 0.00 O ATOM 713 CB GLN A 50 -7.909 11.653 7.881 1.00 0.00 C ATOM 714 CG GLN A 50 -7.771 13.160 8.029 1.00 0.00 C ATOM 715 CD GLN A 50 -7.484 13.582 9.458 1.00 0.00 C ATOM 716 OE1 GLN A 50 -7.653 12.800 10.394 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.048 14.824 9.632 1.00 0.00 N ATOM 0 H GLN A 50 -5.773 11.336 6.270 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.299 11.059 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.258 11.426 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.674 11.297 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.968 13.513 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.689 13.640 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.922 15.438 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.839 15.164 10.571 1.00 0.00 H new ATOM 726 N GLY A 51 -6.496 8.905 6.754 1.00 0.00 N ATOM 727 CA GLY A 51 -6.668 7.494 6.458 1.00 0.00 C ATOM 728 C GLY A 51 -6.284 7.150 5.033 1.00 0.00 C ATOM 729 O GLY A 51 -5.660 7.953 4.340 1.00 0.00 O ATOM 0 H GLY A 51 -6.107 9.459 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.062 6.905 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.708 7.214 6.629 1.00 0.00 H new ATOM 733 N TYR A 52 -6.655 5.952 4.595 1.00 0.00 N ATOM 734 CA TYR A 52 -6.340 5.501 3.245 1.00 0.00 C ATOM 735 C TYR A 52 -7.447 4.602 2.701 1.00 0.00 C ATOM 736 O TYR A 52 -8.141 3.924 3.457 1.00 0.00 O ATOM 737 CB TYR A 52 -5.007 4.752 3.232 1.00 0.00 C ATOM 738 CG TYR A 52 -3.904 5.467 3.982 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.770 5.325 5.357 1.00 0.00 C ATOM 740 CD2 TYR A 52 -2.999 6.282 3.314 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.766 5.976 6.047 1.00 0.00 C ATOM 742 CE2 TYR A 52 -1.991 6.935 3.997 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.878 6.779 5.363 1.00 0.00 C ATOM 744 OH TYR A 52 -0.875 7.429 6.044 1.00 0.00 O ATOM 0 H TYR A 52 -7.174 5.276 5.155 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.261 6.379 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.151 3.764 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.694 4.601 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.462 4.695 5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.085 6.407 2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.677 5.857 7.117 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.294 7.565 3.464 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.418 8.050 5.439 1.00 0.00 H new ATOM 754 N ARG A 53 -7.603 4.601 1.381 1.00 0.00 N ATOM 755 CA ARG A 53 -8.624 3.787 0.732 1.00 0.00 C ATOM 756 C ARG A 53 -7.998 2.580 0.039 1.00 0.00 C ATOM 757 O ARG A 53 -6.975 2.698 -0.634 1.00 0.00 O ATOM 758 CB ARG A 53 -9.404 4.622 -0.284 1.00 0.00 C ATOM 759 CG ARG A 53 -10.472 5.504 0.343 1.00 0.00 C ATOM 760 CD ARG A 53 -10.975 6.553 -0.637 1.00 0.00 C ATOM 761 NE ARG A 53 -11.905 7.486 -0.007 1.00 0.00 N ATOM 762 CZ ARG A 53 -13.158 7.178 0.306 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.628 5.964 0.051 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.944 8.081 0.876 1.00 0.00 N ATOM 0 H ARG A 53 -7.035 5.155 0.740 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.309 3.429 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.706 5.250 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.874 3.954 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.306 4.886 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.066 5.996 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.128 7.105 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.467 6.060 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.573 8.427 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.027 5.266 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.591 5.729 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.587 9.015 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.906 7.841 1.115 1.00 0.00 H new ATOM 778 N VAL A 54 -8.619 1.417 0.213 1.00 0.00 N ATOM 779 CA VAL A 54 -8.124 0.189 -0.395 1.00 0.00 C ATOM 780 C VAL A 54 -9.163 -0.419 -1.332 1.00 0.00 C ATOM 781 O VAL A 54 -10.366 -0.312 -1.095 1.00 0.00 O ATOM 782 CB VAL A 54 -7.743 -0.852 0.674 1.00 0.00 C ATOM 783 CG1 VAL A 54 -7.161 -2.099 0.024 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.761 -0.256 1.671 1.00 0.00 C ATOM 0 H VAL A 54 -9.465 1.301 0.770 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.235 0.455 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.646 -1.139 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.898 -2.823 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.899 -2.537 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.269 -1.832 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.503 -1.005 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.859 0.061 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.217 0.604 2.161 1.00 0.00 H new ATOM 794 N TYR A 55 -8.689 -1.057 -2.397 1.00 0.00 N ATOM 795 CA TYR A 55 -9.577 -1.681 -3.371 1.00 0.00 C ATOM 796 C TYR A 55 -9.127 -3.103 -3.686 1.00 0.00 C ATOM 797 O TYR A 55 -7.977 -3.335 -4.059 1.00 0.00 O ATOM 798 CB TYR A 55 -9.620 -0.851 -4.657 1.00 0.00 C ATOM 799 CG TYR A 55 -9.861 0.623 -4.419 1.00 0.00 C ATOM 800 CD1 TYR A 55 -8.815 1.473 -4.086 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.137 1.163 -4.526 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.030 2.820 -3.868 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.362 2.509 -4.311 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.306 3.334 -3.982 1.00 0.00 C ATOM 805 OH TYR A 55 -10.526 4.674 -3.764 1.00 0.00 O ATOM 0 H TYR A 55 -7.696 -1.155 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.577 -1.723 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.678 -0.975 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.407 -1.239 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.815 1.074 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.966 0.520 -4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.205 3.467 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.359 2.913 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.478 4.873 -3.885 1.00 0.00 H new ATOM 815 N TYR A 56 -10.042 -4.053 -3.533 1.00 0.00 N ATOM 816 CA TYR A 56 -9.741 -5.455 -3.799 1.00 0.00 C ATOM 817 C TYR A 56 -10.994 -6.208 -4.236 1.00 0.00 C ATOM 818 O TYR A 56 -12.032 -6.147 -3.578 1.00 0.00 O ATOM 819 CB TYR A 56 -9.145 -6.115 -2.554 1.00 0.00 C ATOM 820 CG TYR A 56 -10.131 -6.266 -1.418 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.439 -5.193 -0.591 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.755 -7.484 -1.171 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.339 -5.328 0.449 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.657 -7.627 -0.135 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.945 -6.545 0.672 1.00 0.00 C ATOM 826 OH TYR A 56 -12.844 -6.684 1.706 1.00 0.00 O ATOM 0 H TYR A 56 -10.999 -3.878 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.013 -5.497 -4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.760 -7.099 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.296 -5.524 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.967 -4.237 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.530 -8.333 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.566 -4.484 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.134 -8.580 0.043 1.00 0.00 H new ATOM 0 HH TYR A 56 -13.181 -7.604 1.725 1.00 0.00 H new ATOM 836 N THR A 57 -10.888 -6.920 -5.354 1.00 0.00 N ATOM 837 CA THR A 57 -12.011 -7.686 -5.882 1.00 0.00 C ATOM 838 C THR A 57 -11.536 -8.757 -6.857 1.00 0.00 C ATOM 839 O THR A 57 -10.427 -8.681 -7.386 1.00 0.00 O ATOM 840 CB THR A 57 -13.026 -6.773 -6.595 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.224 -7.504 -6.883 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.443 -6.217 -7.885 1.00 0.00 C ATOM 0 H THR A 57 -10.036 -6.982 -5.911 1.00 0.00 H new ATOM 0 HA THR A 57 -12.497 -8.163 -5.031 1.00 0.00 H new ATOM 0 HB THR A 57 -13.259 -5.939 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.865 -6.916 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.179 -5.575 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.548 -5.637 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.184 -7.040 -8.551 1.00 0.00 H new ATOM 850 N MET A 58 -12.382 -9.754 -7.092 1.00 0.00 N ATOM 851 CA MET A 58 -12.048 -10.840 -8.005 1.00 0.00 C ATOM 852 C MET A 58 -12.470 -10.500 -9.431 1.00 0.00 C ATOM 853 O MET A 58 -11.932 -11.046 -10.394 1.00 0.00 O ATOM 854 CB MET A 58 -12.722 -12.139 -7.557 1.00 0.00 C ATOM 855 CG MET A 58 -14.223 -12.005 -7.356 1.00 0.00 C ATOM 856 SD MET A 58 -15.050 -13.602 -7.220 1.00 0.00 S ATOM 857 CE MET A 58 -14.066 -14.386 -5.945 1.00 0.00 C ATOM 0 H MET A 58 -13.304 -9.832 -6.663 1.00 0.00 H new ATOM 0 HA MET A 58 -10.967 -10.976 -7.987 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.531 -12.913 -8.300 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.267 -12.472 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.415 -11.423 -6.455 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.649 -11.449 -8.191 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.325 -15.443 -5.884 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.008 -14.285 -6.188 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.266 -13.908 -4.986 1.00 0.00 H new ATOM 867 N ASP A 59 -13.436 -9.598 -9.558 1.00 0.00 N ATOM 868 CA ASP A 59 -13.930 -9.184 -10.866 1.00 0.00 C ATOM 869 C ASP A 59 -13.567 -7.730 -11.150 1.00 0.00 C ATOM 870 O ASP A 59 -14.396 -6.825 -11.044 1.00 0.00 O ATOM 871 CB ASP A 59 -15.447 -9.369 -10.943 1.00 0.00 C ATOM 872 CG ASP A 59 -15.901 -10.687 -10.349 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.550 -11.746 -10.911 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.607 -10.660 -9.319 1.00 0.00 O ATOM 0 H ASP A 59 -13.893 -9.139 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.456 -9.811 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.937 -8.549 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.764 -9.315 -11.984 1.00 0.00 H new ATOM 879 N PRO A 60 -12.299 -7.498 -11.519 1.00 0.00 N ATOM 880 CA PRO A 60 -11.796 -6.155 -11.824 1.00 0.00 C ATOM 881 C PRO A 60 -12.378 -5.600 -13.121 1.00 0.00 C ATOM 882 O PRO A 60 -12.184 -4.430 -13.449 1.00 0.00 O ATOM 883 CB PRO A 60 -10.286 -6.364 -11.963 1.00 0.00 C ATOM 884 CG PRO A 60 -10.136 -7.795 -12.350 1.00 0.00 C ATOM 885 CD PRO A 60 -11.257 -8.528 -11.666 1.00 0.00 C ATOM 0 HA PRO A 60 -12.071 -5.432 -11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.863 -5.703 -12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.769 -6.151 -11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.194 -7.915 -13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.167 -8.184 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.607 -9.372 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.946 -8.926 -10.700 1.00 0.00 H new ATOM 941 N VAL A 64 -14.047 0.562 -10.396 1.00 0.00 N ATOM 942 CA VAL A 64 -13.423 0.587 -9.078 1.00 0.00 C ATOM 943 C VAL A 64 -14.456 0.843 -7.986 1.00 0.00 C ATOM 944 O VAL A 64 -14.479 0.156 -6.966 1.00 0.00 O ATOM 945 CB VAL A 64 -12.328 1.667 -8.997 1.00 0.00 C ATOM 946 CG1 VAL A 64 -11.602 1.592 -7.662 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.351 1.524 -10.152 1.00 0.00 C ATOM 0 HA VAL A 64 -12.970 -0.392 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.802 2.646 -9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.832 2.362 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.314 1.749 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.139 0.611 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.585 2.296 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.881 0.541 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.885 1.633 -11.096 1.00 0.00 H new ATOM 957 N ASN A 65 -15.312 1.835 -8.210 1.00 0.00 N ATOM 958 CA ASN A 65 -16.348 2.183 -7.245 1.00 0.00 C ATOM 959 C ASN A 65 -17.283 1.001 -7.003 1.00 0.00 C ATOM 960 O ASN A 65 -17.974 0.942 -5.986 1.00 0.00 O ATOM 961 CB ASN A 65 -17.151 3.388 -7.738 1.00 0.00 C ATOM 962 CG ASN A 65 -16.423 4.699 -7.510 1.00 0.00 C ATOM 963 OD1 ASN A 65 -16.012 5.006 -6.390 1.00 0.00 O ATOM 964 ND2 ASN A 65 -16.263 5.481 -8.571 1.00 0.00 N ATOM 0 H ASN A 65 -15.308 2.412 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.861 2.440 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -17.360 3.272 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.112 3.415 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.783 6.376 -8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.620 5.187 -9.480 1.00 0.00 H new ATOM 971 N ASN A 66 -17.298 0.063 -7.943 1.00 0.00 N ATOM 972 CA ASN A 66 -18.146 -1.118 -7.832 1.00 0.00 C ATOM 973 C ASN A 66 -17.446 -2.220 -7.042 1.00 0.00 C ATOM 974 O ASN A 66 -18.096 -3.071 -6.435 1.00 0.00 O ATOM 975 CB ASN A 66 -18.525 -1.633 -9.221 1.00 0.00 C ATOM 976 CG ASN A 66 -19.837 -2.395 -9.219 1.00 0.00 C ATOM 977 OD1 ASN A 66 -20.876 -1.864 -9.607 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.792 -3.647 -8.778 1.00 0.00 N ATOM 0 H ASN A 66 -16.732 0.097 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 66 -19.053 -0.833 -7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.598 -0.791 -9.910 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.732 -2.282 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.643 -4.209 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.907 -4.046 -8.466 1.00 0.00 H new ATOM 985 N TRP A 67 -16.119 -2.195 -7.055 1.00 0.00 N ATOM 986 CA TRP A 67 -15.330 -3.192 -6.340 1.00 0.00 C ATOM 987 C TRP A 67 -15.742 -3.262 -4.874 1.00 0.00 C ATOM 988 O TRP A 67 -16.548 -2.458 -4.407 1.00 0.00 O ATOM 989 CB TRP A 67 -13.839 -2.866 -6.449 1.00 0.00 C ATOM 990 CG TRP A 67 -13.291 -3.048 -7.832 1.00 0.00 C ATOM 991 CD1 TRP A 67 -14.008 -3.214 -8.982 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.911 -3.083 -8.208 1.00 0.00 C ATOM 993 NE1 TRP A 67 -13.156 -3.350 -10.052 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.864 -3.273 -9.604 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.708 -2.970 -7.504 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.663 -3.354 -10.304 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.518 -3.051 -8.200 1.00 0.00 C ATOM 998 CH2 TRP A 67 -9.502 -3.240 -9.589 1.00 0.00 C ATOM 0 H TRP A 67 -15.567 -1.496 -7.552 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.517 -4.164 -6.797 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.676 -1.835 -6.134 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.284 -3.502 -5.759 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -15.086 -3.235 -9.042 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -13.440 -3.486 -11.022 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.710 -2.822 -6.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -10.648 -3.502 -11.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.584 -2.967 -7.665 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.555 -3.297 -10.105 1.00 0.00 H new ATOM 1009 N MET A 68 -15.182 -4.228 -4.151 1.00 0.00 N ATOM 1010 CA MET A 68 -15.490 -4.400 -2.737 1.00 0.00 C ATOM 1011 C MET A 68 -15.018 -3.198 -1.926 1.00 0.00 C ATOM 1012 O MET A 68 -15.771 -2.637 -1.129 1.00 0.00 O ATOM 1013 CB MET A 68 -14.839 -5.678 -2.202 1.00 0.00 C ATOM 1014 CG MET A 68 -15.826 -6.639 -1.560 1.00 0.00 C ATOM 1015 SD MET A 68 -15.055 -8.190 -1.054 1.00 0.00 S ATOM 1016 CE MET A 68 -14.549 -8.849 -2.641 1.00 0.00 C ATOM 0 H MET A 68 -14.513 -4.903 -4.522 1.00 0.00 H new ATOM 0 HA MET A 68 -16.572 -4.482 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.329 -6.186 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.077 -5.409 -1.470 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.279 -6.162 -0.691 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.631 -6.850 -2.263 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.405 -9.926 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.320 -8.642 -3.384 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.614 -8.381 -2.948 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.765 -2.806 -2.134 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.191 -1.670 -1.423 1.00 0.00 C ATOM 1028 C LYS A 69 -13.100 -1.952 0.073 1.00 0.00 C ATOM 1029 O LYS A 69 -13.862 -2.757 0.610 1.00 0.00 O ATOM 1030 CB LYS A 69 -14.031 -0.413 -1.665 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.430 -0.219 -3.118 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.337 0.988 -3.290 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.560 2.290 -3.161 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.172 3.203 -2.156 1.00 0.00 N ATOM 0 H LYS A 69 -13.128 -3.259 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.184 -1.507 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.932 -0.465 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.469 0.459 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.536 -0.093 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.939 -1.113 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.820 0.946 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.129 0.959 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.531 2.072 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.523 2.788 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.614 4.079 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.146 3.431 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.184 2.737 -1.226 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.165 -1.284 0.741 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.976 -1.463 2.177 1.00 0.00 C ATOM 1050 C HIS A 70 -11.856 -0.114 2.881 1.00 0.00 C ATOM 1051 O HIS A 70 -12.015 0.936 2.261 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.732 -2.306 2.448 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.900 -3.279 3.574 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -10.236 -3.160 4.777 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -11.664 -4.391 3.677 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -10.583 -4.158 5.569 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -11.450 -4.919 4.926 1.00 0.00 N ATOM 0 H HIS A 70 -11.527 -0.614 0.312 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.849 -1.982 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.470 -2.853 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.896 -1.643 2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.320 -4.789 2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.219 -4.324 6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.889 -5.762 5.297 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.573 -0.154 4.179 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.432 1.066 4.967 1.00 0.00 C ATOM 1067 C ASN A 71 -10.143 1.039 5.783 1.00 0.00 C ATOM 1068 O ASN A 71 -9.587 -0.026 6.052 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.633 1.239 5.897 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.588 2.314 5.416 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -14.788 2.078 5.275 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -13.057 3.504 5.162 1.00 0.00 N ATOM 0 H ASN A 71 -11.437 -1.016 4.707 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.389 1.911 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.167 0.292 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.281 1.491 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.649 4.268 4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.057 3.655 5.293 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.672 2.220 6.174 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.449 2.334 6.961 1.00 0.00 C ATOM 1081 C VAL A 72 -8.523 3.511 7.925 1.00 0.00 C ATOM 1082 O VAL A 72 -9.145 4.531 7.627 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.213 2.500 6.056 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -5.941 2.526 6.890 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.159 1.388 5.020 1.00 0.00 C ATOM 0 H VAL A 72 -10.119 3.111 5.958 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.351 1.410 7.530 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.293 3.451 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.078 2.644 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.982 3.361 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.850 1.592 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.280 1.521 4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.102 0.423 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.057 1.422 4.403 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.884 3.364 9.080 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.875 4.418 10.088 1.00 0.00 C ATOM 1097 C ALA A 73 -6.449 4.789 10.482 1.00 0.00 C ATOM 1098 O ALA A 73 -6.037 4.583 11.623 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.667 3.984 11.312 1.00 0.00 C ATOM 0 H ALA A 73 -7.366 2.526 9.342 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.347 5.302 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.652 4.780 12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.697 3.776 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.220 3.084 11.734 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.700 5.334 9.530 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.319 5.733 9.778 1.00 0.00 C ATOM 1107 C ASP A 74 -3.525 4.586 10.393 1.00 0.00 C ATOM 1108 O ASP A 74 -2.910 4.740 11.448 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.277 6.952 10.700 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.981 7.730 10.574 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.839 8.490 9.593 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.111 7.578 11.455 1.00 0.00 O ATOM 0 H ASP A 74 -6.026 5.510 8.579 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.864 5.994 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.115 7.609 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.403 6.627 11.733 1.00 0.00 H new ATOM 1117 N SER A 75 -3.542 3.436 9.727 1.00 0.00 N ATOM 1118 CA SER A 75 -2.827 2.262 10.210 1.00 0.00 C ATOM 1119 C SER A 75 -1.720 1.861 9.237 1.00 0.00 C ATOM 1120 O SER A 75 -0.789 1.145 9.604 1.00 0.00 O ATOM 1121 CB SER A 75 -3.795 1.095 10.408 1.00 0.00 C ATOM 1122 OG SER A 75 -3.955 0.794 11.785 1.00 0.00 O ATOM 0 H SER A 75 -4.044 3.293 8.851 1.00 0.00 H new ATOM 0 HA SER A 75 -2.371 2.513 11.168 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.763 1.343 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.423 0.216 9.881 1.00 0.00 H new ATOM 0 HG SER A 75 -4.580 0.046 11.886 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.835 2.326 7.998 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.846 2.015 6.973 1.00 0.00 C ATOM 1130 C GLN A 76 -0.775 0.512 6.721 1.00 0.00 C ATOM 1131 O GLN A 76 0.204 0.010 6.168 1.00 0.00 O ATOM 1132 CB GLN A 76 0.531 2.540 7.385 1.00 0.00 C ATOM 1133 CG GLN A 76 0.854 3.912 6.816 1.00 0.00 C ATOM 1134 CD GLN A 76 2.095 4.524 7.438 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.005 5.419 8.278 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.262 4.043 7.025 1.00 0.00 N ATOM 0 H GLN A 76 -2.602 2.919 7.680 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.153 2.506 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.583 2.586 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.293 1.832 7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.995 3.830 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.006 4.577 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.289 3.300 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.131 4.416 7.406 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.820 -0.201 7.132 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.875 -1.645 6.950 1.00 0.00 C ATOM 1147 C ILE A 77 -3.287 -2.174 7.179 1.00 0.00 C ATOM 1148 O ILE A 77 -4.018 -1.678 8.037 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.909 -2.370 7.905 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.833 -3.858 7.556 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.347 -2.181 9.348 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.274 -4.594 8.278 1.00 0.00 C ATOM 0 H ILE A 77 -2.638 0.198 7.592 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.575 -1.845 5.921 1.00 0.00 H new ATOM 0 HB ILE A 77 0.085 -1.937 7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.787 -4.328 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.687 -3.963 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.653 -2.700 10.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.353 -1.118 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.349 -2.589 9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.267 -5.643 7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.235 -4.150 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.118 -4.520 9.354 1.00 0.00 H new ATOM 1164 N THR A 78 -3.667 -3.186 6.405 1.00 0.00 N ATOM 1165 CA THR A 78 -4.992 -3.782 6.521 1.00 0.00 C ATOM 1166 C THR A 78 -4.954 -5.271 6.199 1.00 0.00 C ATOM 1167 O THR A 78 -4.154 -5.720 5.378 1.00 0.00 O ATOM 1168 CB THR A 78 -6.004 -3.091 5.587 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.291 -3.701 5.724 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.548 -3.176 4.138 1.00 0.00 C ATOM 0 H THR A 78 -3.075 -3.610 5.691 1.00 0.00 H new ATOM 0 HA THR A 78 -5.311 -3.644 7.554 1.00 0.00 H new ATOM 0 HB THR A 78 -6.068 -2.040 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.953 -3.185 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.278 -2.682 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.581 -2.685 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.458 -4.222 3.846 1.00 0.00 H new ATOM 1178 N THR A 79 -5.827 -6.035 6.849 1.00 0.00 N ATOM 1179 CA THR A 79 -5.893 -7.474 6.633 1.00 0.00 C ATOM 1180 C THR A 79 -7.243 -7.882 6.054 1.00 0.00 C ATOM 1181 O THR A 79 -8.292 -7.542 6.604 1.00 0.00 O ATOM 1182 CB THR A 79 -5.650 -8.252 7.940 1.00 0.00 C ATOM 1183 OG1 THR A 79 -6.418 -7.675 9.002 1.00 0.00 O ATOM 1184 CG2 THR A 79 -4.175 -8.242 8.310 1.00 0.00 C ATOM 0 H THR A 79 -6.498 -5.680 7.530 1.00 0.00 H new ATOM 0 HA THR A 79 -5.106 -7.722 5.921 1.00 0.00 H new ATOM 0 HB THR A 79 -5.962 -9.285 7.786 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.345 -7.557 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.028 -8.798 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.597 -8.708 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.841 -7.213 8.447 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.212 -8.614 4.946 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.435 -9.069 4.297 1.00 0.00 C ATOM 1194 C ILE A 80 -8.568 -10.586 4.378 1.00 0.00 C ATOM 1195 O ILE A 80 -7.578 -11.312 4.298 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.479 -8.639 2.817 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.395 -7.116 2.704 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.748 -9.157 2.155 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.170 -6.628 1.290 1.00 0.00 C ATOM 0 H ILE A 80 -6.353 -8.905 4.479 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.267 -8.605 4.827 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.621 -9.070 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.317 -6.680 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.584 -6.757 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.766 -8.846 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.769 -10.245 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.619 -8.751 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.121 -5.539 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.234 -7.036 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.993 -6.957 0.656 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.802 -11.058 4.537 1.00 0.00 N ATOM 1212 CA GLY A 81 -10.043 -12.486 4.625 1.00 0.00 C ATOM 1213 C GLY A 81 -11.329 -12.899 3.938 1.00 0.00 C ATOM 1214 O GLY A 81 -11.939 -12.108 3.220 1.00 0.00 O ATOM 0 H GLY A 81 -10.637 -10.477 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.206 -13.021 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.084 -12.781 5.674 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.742 -14.145 4.156 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.962 -14.664 3.549 1.00 0.00 C ATOM 1220 C ASN A 82 -12.844 -14.693 2.029 1.00 0.00 C ATOM 1221 O ASN A 82 -13.819 -14.452 1.315 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.162 -13.810 3.962 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.485 -14.458 3.597 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.578 -15.679 3.474 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.516 -13.638 3.421 1.00 0.00 N ATOM 0 H ASN A 82 -11.249 -14.813 4.749 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.110 -15.684 3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.129 -13.638 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.093 -12.834 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.431 -14.015 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.392 -12.632 3.534 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.645 -14.990 1.539 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.399 -15.051 0.103 1.00 0.00 C ATOM 1234 C LEU A 83 -11.308 -16.498 -0.371 1.00 0.00 C ATOM 1235 O LEU A 83 -11.546 -17.430 0.396 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.108 -14.306 -0.246 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.878 -12.984 0.486 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.441 -12.519 0.311 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.848 -11.922 -0.010 1.00 0.00 C ATOM 0 H LEU A 83 -10.828 -15.192 2.116 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.236 -14.572 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.265 -14.965 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.104 -14.110 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.059 -13.145 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.297 -11.576 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.764 -13.270 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.231 -12.377 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.669 -10.988 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.700 -11.764 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.871 -12.252 0.170 1.00 0.00 H new ATOM 1251 N VAL A 84 -10.964 -16.677 -1.643 1.00 0.00 N ATOM 1252 CA VAL A 84 -10.838 -18.010 -2.221 1.00 0.00 C ATOM 1253 C VAL A 84 -9.404 -18.288 -2.657 1.00 0.00 C ATOM 1254 O VAL A 84 -8.759 -17.468 -3.311 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.776 -18.189 -3.429 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.482 -17.140 -4.491 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.644 -19.592 -4.002 1.00 0.00 C ATOM 0 H VAL A 84 -10.768 -15.916 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.121 -18.720 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.804 -18.054 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.154 -17.281 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.631 -16.145 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.450 -17.241 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.314 -19.701 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.616 -19.758 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.907 -20.323 -3.238 1.00 0.00 H new ATOM 1267 N PRO A 85 -8.891 -19.470 -2.289 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.528 -19.884 -2.633 1.00 0.00 C ATOM 1269 C PRO A 85 -7.367 -20.168 -4.123 1.00 0.00 C ATOM 1270 O PRO A 85 -8.350 -20.377 -4.834 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.330 -21.167 -1.821 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.707 -21.699 -1.611 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.604 -20.496 -1.508 1.00 0.00 C ATOM 0 HA PRO A 85 -6.798 -19.106 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.707 -21.883 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.836 -20.962 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.008 -22.341 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.758 -22.303 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.594 -20.697 -1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.744 -20.187 -0.472 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.122 -20.175 -4.589 1.00 0.00 N ATOM 1282 CA GLN A 86 -5.834 -20.433 -5.994 1.00 0.00 C ATOM 1283 C GLN A 86 -6.655 -19.516 -6.895 1.00 0.00 C ATOM 1284 O GLN A 86 -7.315 -19.974 -7.828 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.124 -21.895 -6.336 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.446 -22.884 -5.400 1.00 0.00 C ATOM 1287 CD GLN A 86 -6.439 -23.726 -4.622 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -7.534 -24.018 -5.104 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -6.061 -24.122 -3.412 1.00 0.00 N ATOM 0 H GLN A 86 -5.297 -20.005 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 86 -4.777 -20.230 -6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.201 -22.060 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.799 -22.092 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.795 -23.539 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.810 -22.340 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.144 -23.857 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.687 -24.691 -2.843 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.610 -18.220 -6.610 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.349 -17.237 -7.394 1.00 0.00 C ATOM 1300 C LYS A 87 -6.674 -15.871 -7.329 1.00 0.00 C ATOM 1301 O LYS A 87 -6.433 -15.336 -6.247 1.00 0.00 O ATOM 1302 CB LYS A 87 -8.789 -17.131 -6.891 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.635 -18.353 -7.202 1.00 0.00 C ATOM 1304 CD LYS A 87 -9.729 -18.600 -8.698 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.173 -18.581 -9.176 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.268 -18.339 -10.643 1.00 0.00 N ATOM 0 H LYS A 87 -6.069 -17.825 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.358 -17.569 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.777 -16.973 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.257 -16.253 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.205 -19.228 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.636 -18.218 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.158 -17.839 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.278 -19.563 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.649 -19.531 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.722 -17.804 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.268 -18.333 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.837 -17.421 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.766 -19.094 -11.153 1.00 0.00 H new ATOM 1320 N THR A 88 -6.371 -15.309 -8.496 1.00 0.00 N ATOM 1321 CA THR A 88 -5.725 -14.005 -8.572 1.00 0.00 C ATOM 1322 C THR A 88 -6.620 -12.913 -7.996 1.00 0.00 C ATOM 1323 O THR A 88 -7.829 -12.901 -8.231 1.00 0.00 O ATOM 1324 CB THR A 88 -5.361 -13.642 -10.024 1.00 0.00 C ATOM 1325 OG1 THR A 88 -4.502 -14.645 -10.579 1.00 0.00 O ATOM 1326 CG2 THR A 88 -4.673 -12.287 -10.086 1.00 0.00 C ATOM 0 H THR A 88 -6.563 -15.738 -9.401 1.00 0.00 H new ATOM 0 HA THR A 88 -4.811 -14.071 -7.982 1.00 0.00 H new ATOM 0 HB THR A 88 -6.282 -13.591 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.276 -14.408 -11.503 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.425 -12.052 -11.121 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.340 -11.522 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.760 -12.315 -9.492 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.020 -11.998 -7.243 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.764 -10.902 -6.634 1.00 0.00 C ATOM 1336 C TYR A 89 -6.007 -9.584 -6.775 1.00 0.00 C ATOM 1337 O TYR A 89 -4.799 -9.523 -6.548 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.025 -11.197 -5.155 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.435 -11.664 -4.871 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.466 -10.753 -4.686 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.734 -13.019 -4.789 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.755 -11.175 -4.426 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -10.021 -13.451 -4.530 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.028 -12.525 -4.348 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.310 -12.952 -4.091 1.00 0.00 O ATOM 0 H TYR A 89 -5.020 -11.994 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.717 -10.810 -7.154 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.323 -11.959 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.825 -10.298 -4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.256 -9.695 -4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.948 -13.746 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.545 -10.452 -4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.237 -14.507 -4.470 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.935 -12.210 -4.226 1.00 0.00 H new ATOM 1355 N SER A 90 -6.728 -8.535 -7.153 1.00 0.00 N ATOM 1356 CA SER A 90 -6.127 -7.218 -7.329 1.00 0.00 C ATOM 1357 C SER A 90 -6.121 -6.444 -6.014 1.00 0.00 C ATOM 1358 O SER A 90 -6.931 -6.703 -5.124 1.00 0.00 O ATOM 1359 CB SER A 90 -6.885 -6.425 -8.396 1.00 0.00 C ATOM 1360 OG SER A 90 -7.347 -7.278 -9.430 1.00 0.00 O ATOM 0 H SER A 90 -7.729 -8.571 -7.344 1.00 0.00 H new ATOM 0 HA SER A 90 -5.096 -7.358 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.730 -5.910 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.234 -5.658 -8.816 1.00 0.00 H new ATOM 0 HG SER A 90 -6.638 -7.908 -9.676 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.201 -5.492 -5.900 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.088 -4.677 -4.695 1.00 0.00 C ATOM 1368 C VAL A 91 -4.584 -3.277 -5.023 1.00 0.00 C ATOM 1369 O VAL A 91 -3.606 -3.111 -5.753 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.140 -5.324 -3.667 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -4.045 -4.466 -2.415 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.606 -6.731 -3.324 1.00 0.00 C ATOM 0 H VAL A 91 -4.523 -5.265 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.087 -4.608 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.146 -5.393 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.371 -4.939 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.662 -3.480 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.034 -4.363 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.925 -7.173 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.610 -6.689 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.618 -7.341 -4.227 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.258 -2.269 -4.478 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.878 -0.881 -4.712 1.00 0.00 C ATOM 1384 C LYS A 92 -4.923 -0.079 -3.413 1.00 0.00 C ATOM 1385 O LYS A 92 -5.713 -0.376 -2.517 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.806 -0.244 -5.748 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.799 -0.956 -7.089 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.681 -0.247 -8.103 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.912 0.830 -8.853 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.675 1.343 -10.025 1.00 0.00 N ATOM 0 H LYS A 92 -6.070 -2.388 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.857 -0.869 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.823 -0.235 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.513 0.795 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.778 -1.009 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.145 -1.981 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.078 -0.973 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.535 0.201 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.689 1.655 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.957 0.426 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.420 2.336 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.444 0.775 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.695 1.276 -9.832 1.00 0.00 H new ATOM 1404 N VAL A 93 -4.072 0.938 -3.321 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.018 1.784 -2.134 1.00 0.00 C ATOM 1406 C VAL A 93 -3.807 3.245 -2.511 1.00 0.00 C ATOM 1407 O VAL A 93 -3.107 3.556 -3.475 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.890 1.341 -1.183 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.980 2.092 0.137 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.942 -0.161 -0.956 1.00 0.00 C ATOM 0 H VAL A 93 -3.411 1.196 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.976 1.679 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.933 1.581 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.176 1.766 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.888 3.163 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.941 1.886 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.138 -0.455 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.902 -0.429 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.824 -0.677 -1.909 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.419 4.141 -1.744 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.298 5.574 -1.996 1.00 0.00 C ATOM 1422 C LEU A 94 -4.385 6.364 -0.695 1.00 0.00 C ATOM 1423 O LEU A 94 -4.925 5.883 0.302 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.394 6.035 -2.960 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.745 6.370 -2.330 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.805 7.839 -1.943 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.879 6.022 -3.284 1.00 0.00 C ATOM 0 H LEU A 94 -5.004 3.901 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.323 5.759 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.035 6.916 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.547 5.254 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.860 5.772 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.775 8.058 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.016 8.058 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.667 8.455 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.834 6.267 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.767 6.593 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.849 4.956 -3.511 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.852 7.582 -0.711 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.872 8.440 0.466 1.00 0.00 C ATOM 1441 C ALA A 95 -4.876 9.576 0.300 1.00 0.00 C ATOM 1442 O ALA A 95 -5.004 10.151 -0.780 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.483 8.999 0.738 1.00 0.00 C ATOM 0 H ALA A 95 -3.401 7.996 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.182 7.836 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.514 9.638 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.787 8.178 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.151 9.582 -0.121 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.589 9.892 1.375 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.583 10.958 1.348 1.00 0.00 C ATOM 1451 C PHE A 96 -6.604 11.718 2.671 1.00 0.00 C ATOM 1452 O PHE A 96 -6.378 11.141 3.736 1.00 0.00 O ATOM 1453 CB PHE A 96 -7.970 10.382 1.057 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.572 9.648 2.222 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.322 10.322 3.170 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.386 8.281 2.366 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.874 9.649 4.243 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.938 7.603 3.436 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.684 8.287 4.376 1.00 0.00 C ATOM 0 H PHE A 96 -5.497 9.425 2.277 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.311 11.654 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.637 11.193 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.902 9.704 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.478 11.386 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.804 7.741 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.454 10.188 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.786 6.539 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.117 7.759 5.212 1.00 0.00 H new ATOM 1469 N THR A 97 -6.876 13.016 2.596 1.00 0.00 N ATOM 1470 CA THR A 97 -6.925 13.857 3.786 1.00 0.00 C ATOM 1471 C THR A 97 -8.282 14.538 3.923 1.00 0.00 C ATOM 1472 O THR A 97 -9.190 14.301 3.128 1.00 0.00 O ATOM 1473 CB THR A 97 -5.822 14.934 3.759 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.987 15.774 2.611 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.442 14.295 3.731 1.00 0.00 C ATOM 0 H THR A 97 -7.066 13.509 1.723 1.00 0.00 H new ATOM 0 HA THR A 97 -6.762 13.203 4.642 1.00 0.00 H new ATOM 0 HB THR A 97 -5.909 15.534 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.389 16.547 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.680 15.075 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.308 13.678 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.347 13.673 2.841 1.00 0.00 H new ATOM 1483 N SER A 98 -8.412 15.388 4.938 1.00 0.00 N ATOM 1484 CA SER A 98 -9.660 16.103 5.181 1.00 0.00 C ATOM 1485 C SER A 98 -10.019 16.989 3.994 1.00 0.00 C ATOM 1486 O SER A 98 -11.189 17.293 3.762 1.00 0.00 O ATOM 1487 CB SER A 98 -9.548 16.949 6.450 1.00 0.00 C ATOM 1488 OG SER A 98 -10.825 17.374 6.893 1.00 0.00 O ATOM 0 H SER A 98 -7.669 15.598 5.604 1.00 0.00 H new ATOM 0 HA SER A 98 -10.452 15.366 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.061 16.370 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.919 17.818 6.257 1.00 0.00 H new ATOM 0 HG SER A 98 -10.727 17.912 7.706 1.00 0.00 H new ATOM 1494 N ILE A 99 -9.002 17.402 3.243 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.210 18.254 2.078 1.00 0.00 C ATOM 1496 C ILE A 99 -9.923 17.496 0.963 1.00 0.00 C ATOM 1497 O ILE A 99 -11.030 17.857 0.565 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.876 18.803 1.538 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.055 19.415 2.674 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -8.130 19.833 0.448 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.708 20.621 3.313 1.00 0.00 C ATOM 0 H ILE A 99 -8.027 17.160 3.421 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.832 19.088 2.403 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.308 17.978 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.886 18.656 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.077 19.703 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.178 20.212 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.680 19.369 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.714 20.658 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.069 21.001 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.852 21.397 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.674 20.334 3.728 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.282 16.444 0.466 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.870 15.651 -0.597 1.00 0.00 C ATOM 1515 C GLY A 100 -9.293 14.250 -0.664 1.00 0.00 C ATOM 1516 O GLY A 100 -9.069 13.614 0.366 1.00 0.00 O ATOM 0 H GLY A 100 -8.365 16.126 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.948 15.590 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.709 16.153 -1.551 1.00 0.00 H new ATOM 1520 N ASP A 101 -9.054 13.769 -1.879 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.499 12.436 -2.078 1.00 0.00 C ATOM 1522 C ASP A 101 -7.215 12.498 -2.899 1.00 0.00 C ATOM 1523 O ASP A 101 -6.986 13.452 -3.640 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.521 11.533 -2.771 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.249 12.241 -3.895 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -11.292 12.874 -3.622 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -9.777 12.166 -5.049 1.00 0.00 O ATOM 0 H ASP A 101 -9.236 14.283 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.262 12.018 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.014 10.653 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.246 11.180 -2.038 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.381 11.472 -2.761 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.128 11.430 -3.496 1.00 0.00 C ATOM 1534 C GLY A 102 -5.135 10.382 -4.591 1.00 0.00 C ATOM 1535 O GLY A 102 -6.081 9.607 -4.734 1.00 0.00 O ATOM 0 H GLY A 102 -6.549 10.669 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.934 12.409 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.311 11.224 -2.805 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.058 10.349 -5.390 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.918 9.393 -6.492 1.00 0.00 C ATOM 1541 C PRO A 103 -3.718 7.965 -6.000 1.00 0.00 C ATOM 1542 O PRO A 103 -3.264 7.742 -4.877 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.672 9.884 -7.232 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.884 10.617 -6.201 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.892 11.243 -5.277 1.00 0.00 C ATOM 0 HA PRO A 103 -4.812 9.355 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.104 9.051 -7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.937 10.535 -8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.225 9.939 -5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.251 11.376 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.522 11.294 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.136 12.262 -5.579 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.058 6.999 -6.845 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.915 5.590 -6.496 1.00 0.00 C ATOM 1555 C LEU A 104 -2.503 5.096 -6.793 1.00 0.00 C ATOM 1556 O LEU A 104 -1.717 5.785 -7.443 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.934 4.746 -7.264 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.404 5.001 -6.930 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.226 5.139 -8.202 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.954 3.882 -6.057 1.00 0.00 C ATOM 0 H LEU A 104 -4.435 7.166 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.100 5.487 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.789 4.919 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.717 3.694 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.473 5.937 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.269 5.320 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.848 5.975 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.151 4.221 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.001 4.080 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.871 2.933 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.384 3.831 -5.129 1.00 0.00 H new ATOM 1572 N SER A 105 -2.188 3.897 -6.313 1.00 0.00 N ATOM 1573 CA SER A 105 -0.870 3.311 -6.524 1.00 0.00 C ATOM 1574 C SER A 105 -0.903 2.293 -7.660 1.00 0.00 C ATOM 1575 O SER A 105 -1.973 1.877 -8.104 1.00 0.00 O ATOM 1576 CB SER A 105 -0.372 2.644 -5.241 1.00 0.00 C ATOM 1577 OG SER A 105 -0.043 1.284 -5.468 1.00 0.00 O ATOM 0 H SER A 105 -2.828 3.313 -5.775 1.00 0.00 H new ATOM 0 HA SER A 105 -0.184 4.113 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.503 3.176 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.140 2.712 -4.470 1.00 0.00 H new ATOM 0 HG SER A 105 -0.339 0.744 -4.705 1.00 0.00 H new ATOM 1583 N SER A 106 0.276 1.897 -8.127 1.00 0.00 N ATOM 1584 CA SER A 106 0.382 0.931 -9.214 1.00 0.00 C ATOM 1585 C SER A 106 -0.438 -0.320 -8.911 1.00 0.00 C ATOM 1586 O SER A 106 -0.221 -0.987 -7.900 1.00 0.00 O ATOM 1587 CB SER A 106 1.846 0.551 -9.445 1.00 0.00 C ATOM 1588 OG SER A 106 2.719 1.541 -8.929 1.00 0.00 O ATOM 0 H SER A 106 1.171 2.230 -7.770 1.00 0.00 H new ATOM 0 HA SER A 106 -0.014 1.393 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.056 -0.407 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.027 0.423 -10.512 1.00 0.00 H new ATOM 0 HG SER A 106 3.648 1.273 -9.088 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.379 -0.629 -9.796 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.232 -1.800 -9.626 1.00 0.00 C ATOM 1596 C ASP A 107 -1.394 -3.054 -9.392 1.00 0.00 C ATOM 1597 O ASP A 107 -0.755 -3.565 -10.312 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.124 -1.990 -10.854 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.959 -0.762 -11.159 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -3.367 0.297 -11.454 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -5.203 -0.859 -11.102 1.00 0.00 O ATOM 0 H ASP A 107 -1.571 -0.086 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.861 -1.637 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.503 -2.227 -11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.783 -2.843 -10.692 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.403 -3.542 -8.156 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.644 -4.735 -7.802 1.00 0.00 C ATOM 1608 C ILE A 108 -1.552 -5.958 -7.716 1.00 0.00 C ATOM 1609 O ILE A 108 -2.751 -5.836 -7.467 1.00 0.00 O ATOM 1610 CB ILE A 108 0.088 -4.558 -6.459 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.896 -4.134 -5.368 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.208 -3.537 -6.597 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.320 -4.208 -3.971 1.00 0.00 C ATOM 0 H ILE A 108 -1.927 -3.130 -7.384 1.00 0.00 H new ATOM 0 HA ILE A 108 0.093 -4.887 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 108 0.527 -5.514 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.224 -3.113 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.780 -4.769 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.716 -3.423 -5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.921 -3.878 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.790 -2.578 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.074 -3.893 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.018 -5.233 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.547 -3.551 -3.900 1.00 0.00 H new ATOM 1625 N GLN A 109 -0.970 -7.135 -7.920 1.00 0.00 N ATOM 1626 CA GLN A 109 -1.726 -8.380 -7.865 1.00 0.00 C ATOM 1627 C GLN A 109 -1.079 -9.368 -6.899 1.00 0.00 C ATOM 1628 O GLN A 109 0.099 -9.244 -6.566 1.00 0.00 O ATOM 1629 CB GLN A 109 -1.827 -9.003 -9.258 1.00 0.00 C ATOM 1630 CG GLN A 109 -2.437 -8.076 -10.296 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.920 -7.853 -10.081 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -4.602 -8.680 -9.473 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.431 -6.734 -10.581 1.00 0.00 N ATOM 0 H GLN A 109 0.022 -7.252 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.729 -8.150 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.831 -9.299 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.426 -9.912 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.922 -7.116 -10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.277 -8.494 -11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.830 -6.076 -11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.424 -6.532 -10.468 1.00 0.00 H new ATOM 1642 N VAL A 110 -1.858 -10.349 -6.452 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.359 -11.358 -5.526 1.00 0.00 C ATOM 1644 C VAL A 110 -2.233 -12.606 -5.551 1.00 0.00 C ATOM 1645 O VAL A 110 -3.460 -12.519 -5.480 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.299 -10.816 -4.086 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.690 -10.453 -3.593 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.644 -11.834 -3.161 1.00 0.00 C ATOM 0 H VAL A 110 -2.836 -10.466 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.351 -11.617 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.692 -9.911 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.627 -10.072 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.117 -9.688 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.325 -11.339 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.610 -11.435 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.223 -12.757 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.370 -12.039 -3.505 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.596 -13.767 -5.654 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.315 -15.035 -5.687 1.00 0.00 C ATOM 1660 C ILE A 111 -2.487 -15.606 -4.283 1.00 0.00 C ATOM 1661 O ILE A 111 -1.588 -15.511 -3.447 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.591 -16.071 -6.566 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.457 -15.551 -7.998 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.339 -17.396 -6.547 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.041 -15.610 -8.531 1.00 0.00 C ATOM 0 H ILE A 111 -0.582 -13.856 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.296 -14.830 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.592 -16.234 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.107 -16.134 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.809 -14.520 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -1.815 -18.119 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.389 -17.771 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.349 -17.249 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.020 -15.226 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.610 -15.004 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.307 -16.643 -8.525 1.00 0.00 H new ATOM 1677 N THR A 112 -3.649 -16.202 -4.031 1.00 0.00 N ATOM 1678 CA THR A 112 -3.940 -16.790 -2.730 1.00 0.00 C ATOM 1679 C THR A 112 -3.408 -18.216 -2.640 1.00 0.00 C ATOM 1680 O THR A 112 -4.075 -19.163 -3.058 1.00 0.00 O ATOM 1681 CB THR A 112 -5.452 -16.799 -2.442 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.162 -17.319 -3.569 1.00 0.00 O ATOM 1683 CG2 THR A 112 -5.949 -15.396 -2.124 1.00 0.00 C ATOM 0 H THR A 112 -4.404 -16.290 -4.712 1.00 0.00 H new ATOM 0 HA THR A 112 -3.440 -16.171 -1.985 1.00 0.00 H new ATOM 0 HB THR A 112 -5.632 -17.436 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.083 -16.983 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.020 -15.426 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.426 -15.015 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.757 -14.741 -2.974 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.207 -18.363 -2.092 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.588 -19.675 -1.948 1.00 0.00 C ATOM 1693 C GLN A 113 -0.647 -19.705 -0.748 1.00 0.00 C ATOM 1694 O GLN A 113 0.380 -20.383 -0.768 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.823 -20.045 -3.220 1.00 0.00 C ATOM 1696 CG GLN A 113 0.423 -19.203 -3.447 1.00 0.00 C ATOM 1697 CD GLN A 113 1.675 -20.044 -3.600 1.00 0.00 C ATOM 1698 OE1 GLN A 113 2.409 -19.821 -4.685 1.00 0.00 O flip ATOM 1699 NE2 GLN A 113 1.980 -20.884 -2.754 1.00 0.00 N flip ATOM 0 H GLN A 113 -1.643 -17.590 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.380 -20.405 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.537 -21.096 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.487 -19.936 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.288 -18.594 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.551 -18.517 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.387 -21.022 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.826 -21.442 -2.871 1.00 0.00 H new