USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 SER OG : rot -1:sc= 1.43 USER MOD Set 1.2: A 109 GLN : amide:sc= 0.657 K(o=2.1,f=-0.77!) USER MOD Set 2.1: A 58 MET CE :methyl 179:sc= -0.749 (180deg=-0.473) USER MOD Set 2.2: A 89 TYR OH : rot 0:sc= -0.385 USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 68 MET CE :methyl -130:sc= -1.14 (180deg=-2.5!) USER MOD Set 4.1: A 56 TYR OH : rot 0:sc= 0.65 USER MOD Set 4.2: A 70 HIS : no HD1:sc= 0.135 K(o=0.74,f=-0.6) USER MOD Set 4.3: A 78 THR OG1 : rot 120:sc= -0.0406 USER MOD Set 5.1: A 52 TYR OH : rot 180:sc= -0.279 USER MOD Set 5.2: A 76 GLN : amide:sc= -1.61 K(o=-1.9,f=-2.7!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -53:sc= 0.864 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 29 MET CE :methyl 157:sc= -5.76! (180deg=-6.19!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 38 GLN : amide:sc= -0.0859 K(o=-0.086,f=-3.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.679 X(o=-0.68,f=-0.41) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= -0.0848 (180deg=-0.194) USER MOD Single : A 71 ASN : amide:sc= -0.0547 X(o=-0.055,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.1!) USER MOD Single : A 86 GLN : amide:sc= -0.375 K(o=-0.37,f=-1.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 150:sc= -0.815 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -174:sc= 1.07 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.707 21.093 1.704 1.00 0.00 N ATOM 187 CA GLN A 16 -4.350 20.576 0.502 1.00 0.00 C ATOM 188 C GLN A 16 -4.391 19.051 0.521 1.00 0.00 C ATOM 189 O GLN A 16 -3.959 18.419 1.484 1.00 0.00 O ATOM 190 CB GLN A 16 -3.614 21.062 -0.747 1.00 0.00 C ATOM 191 CG GLN A 16 -2.100 20.967 -0.637 1.00 0.00 C ATOM 192 CD GLN A 16 -1.389 21.553 -1.840 1.00 0.00 C ATOM 193 OE1 GLN A 16 -0.857 20.824 -2.678 1.00 0.00 O ATOM 194 NE2 GLN A 16 -1.376 22.878 -1.934 1.00 0.00 N ATOM 0 HA GLN A 16 -5.374 20.950 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.945 20.476 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.892 22.098 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.772 21.487 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.813 19.922 -0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.829 23.445 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.913 23.329 -2.723 1.00 0.00 H new ATOM 203 N ALA A 17 -4.914 18.465 -0.552 1.00 0.00 N ATOM 204 CA ALA A 17 -5.010 17.014 -0.661 1.00 0.00 C ATOM 205 C ALA A 17 -3.714 16.418 -1.200 1.00 0.00 C ATOM 206 O ALA A 17 -2.902 17.099 -1.825 1.00 0.00 O ATOM 207 CB ALA A 17 -6.182 16.627 -1.549 1.00 0.00 C ATOM 0 H ALA A 17 -5.278 18.973 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.178 16.609 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.241 15.541 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.107 17.013 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.040 17.049 -2.544 1.00 0.00 H new ATOM 213 N PRO A 18 -3.515 15.114 -0.955 1.00 0.00 N ATOM 214 CA PRO A 18 -2.319 14.396 -1.409 1.00 0.00 C ATOM 215 C PRO A 18 -2.291 14.217 -2.923 1.00 0.00 C ATOM 216 O PRO A 18 -3.288 13.827 -3.530 1.00 0.00 O ATOM 217 CB PRO A 18 -2.434 13.039 -0.711 1.00 0.00 C ATOM 218 CG PRO A 18 -3.894 12.861 -0.466 1.00 0.00 C ATOM 219 CD PRO A 18 -4.442 14.240 -0.218 1.00 0.00 C ATOM 0 HA PRO A 18 -1.403 14.937 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.037 12.238 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.871 13.025 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.380 12.396 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.070 12.211 0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.464 14.338 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.460 14.480 0.845 1.00 0.00 H new ATOM 227 N SER A 19 -1.143 14.504 -3.527 1.00 0.00 N ATOM 228 CA SER A 19 -0.985 14.376 -4.971 1.00 0.00 C ATOM 229 C SER A 19 0.129 13.392 -5.310 1.00 0.00 C ATOM 230 O SER A 19 0.833 13.553 -6.308 1.00 0.00 O ATOM 231 CB SER A 19 -0.683 15.741 -5.593 1.00 0.00 C ATOM 232 OG SER A 19 -0.622 15.654 -7.006 1.00 0.00 O ATOM 0 H SER A 19 -0.308 14.827 -3.039 1.00 0.00 H new ATOM 0 HA SER A 19 -1.919 13.995 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.453 16.455 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.264 16.119 -5.207 1.00 0.00 H new ATOM 0 HG SER A 19 0.006 14.947 -7.263 1.00 0.00 H new ATOM 238 N SER A 20 0.283 12.370 -4.475 1.00 0.00 N ATOM 239 CA SER A 20 1.314 11.359 -4.684 1.00 0.00 C ATOM 240 C SER A 20 0.856 10.001 -4.162 1.00 0.00 C ATOM 241 O SER A 20 0.297 9.900 -3.071 1.00 0.00 O ATOM 242 CB SER A 20 2.612 11.775 -3.990 1.00 0.00 C ATOM 243 OG SER A 20 3.742 11.258 -4.673 1.00 0.00 O ATOM 0 H SER A 20 -0.293 12.219 -3.647 1.00 0.00 H new ATOM 0 HA SER A 20 1.495 11.274 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.674 12.862 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.609 11.416 -2.961 1.00 0.00 H new ATOM 0 HG SER A 20 4.502 11.866 -4.555 1.00 0.00 H new ATOM 249 N ALA A 21 1.098 8.959 -4.949 1.00 0.00 N ATOM 250 CA ALA A 21 0.714 7.606 -4.568 1.00 0.00 C ATOM 251 C ALA A 21 1.569 7.098 -3.410 1.00 0.00 C ATOM 252 O ALA A 21 2.695 7.547 -3.195 1.00 0.00 O ATOM 253 CB ALA A 21 0.828 6.668 -5.759 1.00 0.00 C ATOM 0 H ALA A 21 1.559 9.026 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.324 7.631 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.538 5.661 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.170 7.012 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.858 6.657 -6.116 1.00 0.00 H new ATOM 259 N PRO A 22 1.021 6.143 -2.644 1.00 0.00 N ATOM 260 CA PRO A 22 1.717 5.555 -1.496 1.00 0.00 C ATOM 261 C PRO A 22 2.894 4.681 -1.916 1.00 0.00 C ATOM 262 O PRO A 22 2.995 4.275 -3.073 1.00 0.00 O ATOM 263 CB PRO A 22 0.635 4.706 -0.823 1.00 0.00 C ATOM 264 CG PRO A 22 -0.324 4.377 -1.916 1.00 0.00 C ATOM 265 CD PRO A 22 -0.318 5.562 -2.842 1.00 0.00 C ATOM 0 HA PRO A 22 2.147 6.317 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.058 3.803 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.145 5.254 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.022 3.470 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.323 4.198 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.477 5.263 -3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.106 6.272 -2.591 1.00 0.00 H new ATOM 273 N ARG A 23 3.782 4.398 -0.967 1.00 0.00 N ATOM 274 CA ARG A 23 4.953 3.574 -1.240 1.00 0.00 C ATOM 275 C ARG A 23 4.993 2.362 -0.314 1.00 0.00 C ATOM 276 O ARG A 23 4.151 2.219 0.575 1.00 0.00 O ATOM 277 CB ARG A 23 6.231 4.397 -1.076 1.00 0.00 C ATOM 278 CG ARG A 23 6.207 5.717 -1.829 1.00 0.00 C ATOM 279 CD ARG A 23 7.400 6.586 -1.467 1.00 0.00 C ATOM 280 NE ARG A 23 8.604 6.193 -2.197 1.00 0.00 N ATOM 281 CZ ARG A 23 9.794 6.751 -2.004 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.940 7.719 -1.111 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.842 6.338 -2.705 1.00 0.00 N ATOM 0 H ARG A 23 3.712 4.727 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 23 4.886 3.221 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.391 4.596 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.080 3.807 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.207 5.525 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.284 6.251 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.168 7.629 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.587 6.517 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 23 8.526 5.450 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.137 8.038 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.855 8.145 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.734 5.592 -3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.756 6.767 -2.557 1.00 0.00 H new ATOM 297 N ASP A 24 5.974 1.492 -0.526 1.00 0.00 N ATOM 298 CA ASP A 24 6.124 0.294 0.290 1.00 0.00 C ATOM 299 C ASP A 24 4.854 -0.551 0.253 1.00 0.00 C ATOM 300 O ASP A 24 4.570 -1.306 1.184 1.00 0.00 O ATOM 301 CB ASP A 24 6.457 0.672 1.734 1.00 0.00 C ATOM 302 CG ASP A 24 7.358 -0.345 2.406 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.330 -0.792 1.765 1.00 0.00 O ATOM 304 OD2 ASP A 24 7.091 -0.695 3.575 1.00 0.00 O ATOM 0 H ASP A 24 6.678 1.595 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 24 6.944 -0.295 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.942 1.648 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.533 0.767 2.304 1.00 0.00 H new ATOM 309 N VAL A 25 4.095 -0.420 -0.829 1.00 0.00 N ATOM 310 CA VAL A 25 2.855 -1.172 -0.989 1.00 0.00 C ATOM 311 C VAL A 25 3.129 -2.585 -1.490 1.00 0.00 C ATOM 312 O VAL A 25 3.578 -2.777 -2.620 1.00 0.00 O ATOM 313 CB VAL A 25 1.895 -0.469 -1.968 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.539 -1.160 -1.973 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.752 1.001 -1.609 1.00 0.00 C ATOM 0 H VAL A 25 4.316 0.200 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 25 2.387 -1.223 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 25 2.314 -0.535 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.126 -0.650 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.661 -2.198 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.110 -1.127 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.071 1.482 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.355 1.092 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.727 1.485 -1.661 1.00 0.00 H new ATOM 325 N GLN A 26 2.859 -3.571 -0.641 1.00 0.00 N ATOM 326 CA GLN A 26 3.076 -4.968 -0.998 1.00 0.00 C ATOM 327 C GLN A 26 2.121 -5.881 -0.237 1.00 0.00 C ATOM 328 O GLN A 26 1.825 -5.647 0.934 1.00 0.00 O ATOM 329 CB GLN A 26 4.524 -5.370 -0.709 1.00 0.00 C ATOM 330 CG GLN A 26 5.543 -4.626 -1.557 1.00 0.00 C ATOM 331 CD GLN A 26 6.915 -5.268 -1.518 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.080 -6.431 -1.888 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.910 -4.512 -1.068 1.00 0.00 N ATOM 0 H GLN A 26 2.490 -3.428 0.299 1.00 0.00 H new ATOM 0 HA GLN A 26 2.880 -5.078 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.739 -5.189 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.636 -6.441 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.193 -4.588 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.618 -3.596 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.728 -3.553 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.856 -4.890 -1.019 1.00 0.00 H new ATOM 342 N ALA A 27 1.641 -6.922 -0.909 1.00 0.00 N ATOM 343 CA ALA A 27 0.720 -7.870 -0.295 1.00 0.00 C ATOM 344 C ALA A 27 1.373 -9.238 -0.127 1.00 0.00 C ATOM 345 O ALA A 27 1.845 -9.834 -1.095 1.00 0.00 O ATOM 346 CB ALA A 27 -0.548 -7.988 -1.128 1.00 0.00 C ATOM 0 H ALA A 27 1.875 -7.130 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 27 0.458 -7.496 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.227 -8.699 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.032 -7.014 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.294 -8.336 -2.129 1.00 0.00 H new ATOM 352 N ARG A 28 1.399 -9.728 1.108 1.00 0.00 N ATOM 353 CA ARG A 28 1.996 -11.023 1.405 1.00 0.00 C ATOM 354 C ARG A 28 0.962 -11.976 2.001 1.00 0.00 C ATOM 355 O ARG A 28 0.290 -11.643 2.978 1.00 0.00 O ATOM 356 CB ARG A 28 3.171 -10.860 2.369 1.00 0.00 C ATOM 357 CG ARG A 28 2.875 -9.934 3.538 1.00 0.00 C ATOM 358 CD ARG A 28 4.094 -9.753 4.427 1.00 0.00 C ATOM 359 NE ARG A 28 4.646 -11.032 4.867 1.00 0.00 N ATOM 360 CZ ARG A 28 5.751 -11.145 5.596 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.421 -10.060 5.964 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.190 -12.344 5.956 1.00 0.00 N ATOM 0 H ARG A 28 1.013 -9.246 1.920 1.00 0.00 H new ATOM 0 HA ARG A 28 2.360 -11.448 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.452 -11.840 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.030 -10.475 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.550 -8.964 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.052 -10.340 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.858 -9.196 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.822 -9.157 5.298 1.00 0.00 H new ATOM 0 HE ARG A 28 4.156 -11.886 4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.088 -9.137 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.269 -10.150 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.679 -13.180 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.038 -12.430 6.516 1.00 0.00 H new ATOM 376 N MET A 29 0.843 -13.158 1.408 1.00 0.00 N ATOM 377 CA MET A 29 -0.108 -14.158 1.883 1.00 0.00 C ATOM 378 C MET A 29 0.383 -14.806 3.173 1.00 0.00 C ATOM 379 O MET A 29 1.569 -15.103 3.319 1.00 0.00 O ATOM 380 CB MET A 29 -0.331 -15.229 0.814 1.00 0.00 C ATOM 381 CG MET A 29 -1.656 -15.090 0.082 1.00 0.00 C ATOM 382 SD MET A 29 -3.077 -15.349 1.162 1.00 0.00 S ATOM 383 CE MET A 29 -3.947 -16.639 0.274 1.00 0.00 C ATOM 0 H MET A 29 1.392 -13.448 0.599 1.00 0.00 H new ATOM 0 HA MET A 29 -1.054 -13.655 2.087 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.482 -15.182 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.285 -16.213 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.719 -14.097 -0.362 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.691 -15.808 -0.737 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.589 -17.187 0.964 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.557 -16.192 -0.512 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.226 -17.324 -0.172 1.00 0.00 H new ATOM 393 N LEU A 30 -0.536 -15.023 4.107 1.00 0.00 N ATOM 394 CA LEU A 30 -0.197 -15.636 5.386 1.00 0.00 C ATOM 395 C LEU A 30 -0.934 -16.958 5.571 1.00 0.00 C ATOM 396 O LEU A 30 -0.439 -17.870 6.231 1.00 0.00 O ATOM 397 CB LEU A 30 -0.538 -14.685 6.536 1.00 0.00 C ATOM 398 CG LEU A 30 -0.192 -13.213 6.314 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.830 -12.346 7.390 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.317 -13.015 6.292 1.00 0.00 C ATOM 0 H LEU A 30 -1.522 -14.783 4.003 1.00 0.00 H new ATOM 0 HA LEU A 30 0.875 -15.835 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.606 -14.760 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.019 -15.029 7.431 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.591 -12.909 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.573 -11.301 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.913 -12.463 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.462 -12.652 8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.543 -11.961 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.740 -13.337 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.750 -13.605 5.484 1.00 0.00 H new ATOM 412 N SER A 31 -2.121 -17.055 4.980 1.00 0.00 N ATOM 413 CA SER A 31 -2.929 -18.265 5.078 1.00 0.00 C ATOM 414 C SER A 31 -3.545 -18.619 3.728 1.00 0.00 C ATOM 415 O SER A 31 -3.195 -18.036 2.702 1.00 0.00 O ATOM 416 CB SER A 31 -4.031 -18.084 6.123 1.00 0.00 C ATOM 417 OG SER A 31 -4.022 -19.143 7.064 1.00 0.00 O ATOM 0 H SER A 31 -2.545 -16.309 4.428 1.00 0.00 H new ATOM 0 HA SER A 31 -2.277 -19.083 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.894 -17.134 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.001 -18.041 5.629 1.00 0.00 H new ATOM 0 HG SER A 31 -4.735 -19.002 7.722 1.00 0.00 H new ATOM 423 N SER A 32 -4.466 -19.577 3.738 1.00 0.00 N ATOM 424 CA SER A 32 -5.129 -20.013 2.515 1.00 0.00 C ATOM 425 C SER A 32 -6.198 -19.010 2.090 1.00 0.00 C ATOM 426 O SER A 32 -6.553 -18.924 0.914 1.00 0.00 O ATOM 427 CB SER A 32 -5.760 -21.392 2.715 1.00 0.00 C ATOM 428 OG SER A 32 -4.801 -22.331 3.171 1.00 0.00 O ATOM 0 H SER A 32 -4.770 -20.066 4.580 1.00 0.00 H new ATOM 0 HA SER A 32 -4.379 -20.075 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.575 -21.321 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.193 -21.737 1.776 1.00 0.00 H new ATOM 0 HG SER A 32 -5.230 -23.204 3.293 1.00 0.00 H new ATOM 434 N THR A 33 -6.707 -18.251 3.056 1.00 0.00 N ATOM 435 CA THR A 33 -7.734 -17.255 2.784 1.00 0.00 C ATOM 436 C THR A 33 -7.530 -16.008 3.636 1.00 0.00 C ATOM 437 O THR A 33 -8.494 -15.357 4.045 1.00 0.00 O ATOM 438 CB THR A 33 -9.145 -17.817 3.046 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.194 -18.436 4.336 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.532 -18.828 1.976 1.00 0.00 C ATOM 0 H THR A 33 -6.424 -18.308 4.034 1.00 0.00 H new ATOM 0 HA THR A 33 -7.646 -16.990 1.730 1.00 0.00 H new ATOM 0 HB THR A 33 -9.854 -16.990 3.014 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.094 -18.789 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.532 -19.211 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.522 -18.345 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.819 -19.653 1.980 1.00 0.00 H new ATOM 448 N THR A 34 -6.271 -15.678 3.901 1.00 0.00 N ATOM 449 CA THR A 34 -5.940 -14.509 4.706 1.00 0.00 C ATOM 450 C THR A 34 -4.723 -13.781 4.146 1.00 0.00 C ATOM 451 O THR A 34 -3.634 -14.349 4.061 1.00 0.00 O ATOM 452 CB THR A 34 -5.664 -14.894 6.172 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.204 -16.191 6.447 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.268 -13.874 7.123 1.00 0.00 C ATOM 0 H THR A 34 -5.462 -16.204 3.570 1.00 0.00 H new ATOM 0 HA THR A 34 -6.805 -13.847 4.669 1.00 0.00 H new ATOM 0 HB THR A 34 -4.585 -14.911 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.023 -16.430 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.060 -14.168 8.152 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.832 -12.894 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.346 -13.828 6.970 1.00 0.00 H new ATOM 462 N ILE A 35 -4.914 -12.523 3.766 1.00 0.00 N ATOM 463 CA ILE A 35 -3.831 -11.718 3.214 1.00 0.00 C ATOM 464 C ILE A 35 -3.471 -10.568 4.149 1.00 0.00 C ATOM 465 O ILE A 35 -4.037 -10.434 5.234 1.00 0.00 O ATOM 466 CB ILE A 35 -4.201 -11.147 1.833 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.406 -10.213 1.948 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.489 -12.273 0.853 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.712 -9.458 0.675 1.00 0.00 C ATOM 0 H ILE A 35 -5.809 -12.038 3.830 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.970 -12.378 3.105 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.355 -10.572 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.281 -10.797 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.225 -9.497 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.749 -11.852 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.605 -12.902 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.320 -12.873 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.579 -8.816 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.853 -8.847 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.926 -10.166 -0.126 1.00 0.00 H new ATOM 481 N LEU A 36 -2.527 -9.738 3.718 1.00 0.00 N ATOM 482 CA LEU A 36 -2.092 -8.596 4.515 1.00 0.00 C ATOM 483 C LEU A 36 -1.448 -7.531 3.634 1.00 0.00 C ATOM 484 O LEU A 36 -0.470 -7.796 2.935 1.00 0.00 O ATOM 485 CB LEU A 36 -1.104 -9.047 5.593 1.00 0.00 C ATOM 486 CG LEU A 36 -0.250 -7.948 6.224 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.125 -6.804 6.710 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.582 -8.508 7.368 1.00 0.00 C ATOM 0 H LEU A 36 -2.049 -9.834 2.822 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.971 -8.163 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.664 -9.544 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.438 -9.792 5.158 1.00 0.00 H new ATOM 0 HG LEU A 36 0.428 -7.562 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.499 -6.031 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.675 -6.384 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.829 -7.175 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.183 -7.711 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.079 -8.923 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.238 -9.292 6.991 1.00 0.00 H new ATOM 500 N VAL A 37 -2.003 -6.323 3.673 1.00 0.00 N ATOM 501 CA VAL A 37 -1.482 -5.216 2.880 1.00 0.00 C ATOM 502 C VAL A 37 -0.847 -4.154 3.771 1.00 0.00 C ATOM 503 O VAL A 37 -1.517 -3.555 4.612 1.00 0.00 O ATOM 504 CB VAL A 37 -2.587 -4.563 2.030 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.993 -3.542 1.074 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.370 -5.624 1.272 1.00 0.00 C ATOM 0 H VAL A 37 -2.813 -6.087 4.246 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.724 -5.632 2.217 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.275 -4.042 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.790 -3.091 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.480 -2.766 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.282 -4.035 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.147 -5.146 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.696 -6.174 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.829 -6.313 1.981 1.00 0.00 H new ATOM 516 N GLN A 38 0.448 -3.925 3.580 1.00 0.00 N ATOM 517 CA GLN A 38 1.173 -2.935 4.367 1.00 0.00 C ATOM 518 C GLN A 38 1.863 -1.919 3.462 1.00 0.00 C ATOM 519 O GLN A 38 2.574 -2.289 2.528 1.00 0.00 O ATOM 520 CB GLN A 38 2.205 -3.621 5.264 1.00 0.00 C ATOM 521 CG GLN A 38 3.284 -4.363 4.492 1.00 0.00 C ATOM 522 CD GLN A 38 3.569 -5.739 5.063 1.00 0.00 C ATOM 523 OE1 GLN A 38 3.677 -6.719 4.326 1.00 0.00 O ATOM 524 NE2 GLN A 38 3.689 -5.817 6.383 1.00 0.00 N ATOM 0 H GLN A 38 1.017 -4.412 2.887 1.00 0.00 H new ATOM 0 HA GLN A 38 0.453 -2.407 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.676 -2.872 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.693 -4.323 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.977 -4.462 3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.201 -3.774 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.592 -4.978 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.879 -6.716 6.826 1.00 0.00 H new ATOM 533 N TRP A 39 1.648 -0.640 3.745 1.00 0.00 N ATOM 534 CA TRP A 39 2.250 0.429 2.957 1.00 0.00 C ATOM 535 C TRP A 39 2.764 1.547 3.856 1.00 0.00 C ATOM 536 O TRP A 39 2.463 1.587 5.049 1.00 0.00 O ATOM 537 CB TRP A 39 1.234 0.988 1.958 1.00 0.00 C ATOM 538 CG TRP A 39 0.028 1.590 2.613 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.142 2.897 2.972 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.174 0.907 2.987 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.379 3.068 3.548 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.032 1.864 3.567 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.611 -0.415 2.886 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.298 1.535 4.045 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.868 -0.739 3.361 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.699 0.231 3.934 1.00 0.00 C ATOM 0 H TRP A 39 1.061 -0.318 4.514 1.00 0.00 H new ATOM 0 HA TRP A 39 3.095 0.011 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.720 1.744 1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.915 0.189 1.289 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.587 3.680 2.825 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.750 3.949 3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.978 -1.171 2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.940 2.282 4.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.215 -1.759 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.676 -0.055 4.296 1.00 0.00 H new ATOM 557 N LYS A 40 3.543 2.455 3.278 1.00 0.00 N ATOM 558 CA LYS A 40 4.098 3.576 4.027 1.00 0.00 C ATOM 559 C LYS A 40 3.466 4.892 3.586 1.00 0.00 C ATOM 560 O LYS A 40 2.852 4.971 2.523 1.00 0.00 O ATOM 561 CB LYS A 40 5.617 3.640 3.839 1.00 0.00 C ATOM 562 CG LYS A 40 6.397 3.062 5.006 1.00 0.00 C ATOM 563 CD LYS A 40 7.849 3.514 4.985 1.00 0.00 C ATOM 564 CE LYS A 40 8.039 4.810 5.756 1.00 0.00 C ATOM 565 NZ LYS A 40 9.208 4.740 6.677 1.00 0.00 N ATOM 0 H LYS A 40 3.804 2.436 2.292 1.00 0.00 H new ATOM 0 HA LYS A 40 3.874 3.421 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.886 3.101 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.914 4.679 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.933 3.369 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.353 1.973 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.480 2.737 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.174 3.652 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.178 5.633 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.138 5.028 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.305 5.643 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.065 3.971 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.072 4.558 6.128 1.00 0.00 H new ATOM 579 N GLU A 41 3.623 5.925 4.410 1.00 0.00 N ATOM 580 CA GLU A 41 3.066 7.237 4.103 1.00 0.00 C ATOM 581 C GLU A 41 3.601 7.756 2.772 1.00 0.00 C ATOM 582 O GLU A 41 4.630 7.305 2.268 1.00 0.00 O ATOM 583 CB GLU A 41 3.397 8.229 5.220 1.00 0.00 C ATOM 584 CG GLU A 41 2.240 8.485 6.170 1.00 0.00 C ATOM 585 CD GLU A 41 2.702 8.838 7.570 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.927 8.979 7.773 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.840 8.976 8.463 1.00 0.00 O ATOM 0 H GLU A 41 4.131 5.878 5.293 1.00 0.00 H new ATOM 0 HA GLU A 41 1.983 7.136 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.247 7.852 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.706 9.175 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.626 9.296 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.607 7.599 6.213 1.00 0.00 H new ATOM 594 N PRO A 42 2.884 8.728 2.186 1.00 0.00 N ATOM 595 CA PRO A 42 3.266 9.331 0.905 1.00 0.00 C ATOM 596 C PRO A 42 4.520 10.189 1.020 1.00 0.00 C ATOM 597 O PRO A 42 5.018 10.433 2.118 1.00 0.00 O ATOM 598 CB PRO A 42 2.056 10.196 0.546 1.00 0.00 C ATOM 599 CG PRO A 42 1.415 10.513 1.853 1.00 0.00 C ATOM 600 CD PRO A 42 1.647 9.314 2.730 1.00 0.00 C ATOM 0 HA PRO A 42 3.506 8.578 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.359 11.103 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.370 9.663 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.851 11.409 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.349 10.705 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.763 9.598 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.814 8.612 2.680 1.00 0.00 H new ATOM 608 N GLU A 43 5.027 10.643 -0.123 1.00 0.00 N ATOM 609 CA GLU A 43 6.225 11.474 -0.149 1.00 0.00 C ATOM 610 C GLU A 43 5.858 12.955 -0.223 1.00 0.00 C ATOM 611 O GLU A 43 6.622 13.815 0.210 1.00 0.00 O ATOM 612 CB GLU A 43 7.109 11.096 -1.339 1.00 0.00 C ATOM 613 CG GLU A 43 6.399 11.189 -2.679 1.00 0.00 C ATOM 614 CD GLU A 43 7.336 10.969 -3.851 1.00 0.00 C ATOM 615 OE1 GLU A 43 8.531 11.309 -3.728 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.872 10.460 -4.893 1.00 0.00 O ATOM 0 H GLU A 43 4.627 10.449 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 43 6.778 11.300 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.982 11.749 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.474 10.078 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.599 10.450 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.931 12.169 -2.771 1.00 0.00 H new ATOM 623 N GLU A 44 4.684 13.239 -0.779 1.00 0.00 N ATOM 624 CA GLU A 44 4.217 14.614 -0.912 1.00 0.00 C ATOM 625 C GLU A 44 2.759 14.738 -0.478 1.00 0.00 C ATOM 626 O GLU A 44 1.854 14.907 -1.297 1.00 0.00 O ATOM 627 CB GLU A 44 4.374 15.092 -2.356 1.00 0.00 C ATOM 628 CG GLU A 44 5.791 15.511 -2.709 1.00 0.00 C ATOM 629 CD GLU A 44 5.905 16.993 -3.004 1.00 0.00 C ATOM 630 OE1 GLU A 44 5.594 17.803 -2.105 1.00 0.00 O ATOM 631 OE2 GLU A 44 6.305 17.345 -4.134 1.00 0.00 O ATOM 0 H GLU A 44 4.040 12.537 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 44 4.826 15.242 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.062 14.294 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.702 15.934 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.457 15.256 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.128 14.945 -3.577 1.00 0.00 H new ATOM 638 N PRO A 45 2.524 14.651 0.839 1.00 0.00 N ATOM 639 CA PRO A 45 1.177 14.751 1.410 1.00 0.00 C ATOM 640 C PRO A 45 0.538 16.111 1.156 1.00 0.00 C ATOM 641 O PRO A 45 -0.565 16.198 0.621 1.00 0.00 O ATOM 642 CB PRO A 45 1.411 14.542 2.909 1.00 0.00 C ATOM 643 CG PRO A 45 2.854 14.853 3.113 1.00 0.00 C ATOM 644 CD PRO A 45 3.553 14.450 1.872 1.00 0.00 C ATOM 0 HA PRO A 45 0.492 14.029 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.776 15.198 3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.180 13.519 3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.997 15.915 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.249 14.312 3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.436 15.062 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.887 13.413 1.914 1.00 0.00 H new ATOM 652 N ASN A 46 1.240 17.172 1.545 1.00 0.00 N ATOM 653 CA ASN A 46 0.740 18.529 1.358 1.00 0.00 C ATOM 654 C ASN A 46 -0.538 18.753 2.161 1.00 0.00 C ATOM 655 O ASN A 46 -1.364 19.594 1.811 1.00 0.00 O ATOM 656 CB ASN A 46 0.477 18.799 -0.125 1.00 0.00 C ATOM 657 CG ASN A 46 1.492 18.119 -1.025 1.00 0.00 C ATOM 658 OD1 ASN A 46 2.699 18.209 -0.797 1.00 0.00 O ATOM 659 ND2 ASN A 46 1.005 17.434 -2.053 1.00 0.00 N ATOM 0 H ASN A 46 2.156 17.117 1.991 1.00 0.00 H new ATOM 0 HA ASN A 46 1.501 19.222 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.524 18.452 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.498 19.874 -0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.639 16.955 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.003 17.387 -2.203 1.00 0.00 H new ATOM 666 N GLY A 47 -0.693 17.993 3.242 1.00 0.00 N ATOM 667 CA GLY A 47 -1.872 18.124 4.078 1.00 0.00 C ATOM 668 C GLY A 47 -1.836 17.199 5.278 1.00 0.00 C ATOM 669 O GLY A 47 -0.813 16.577 5.560 1.00 0.00 O ATOM 0 H GLY A 47 -0.023 17.289 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.958 19.155 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.761 17.910 3.484 1.00 0.00 H new ATOM 673 N GLN A 48 -2.957 17.110 5.987 1.00 0.00 N ATOM 674 CA GLN A 48 -3.047 16.257 7.166 1.00 0.00 C ATOM 675 C GLN A 48 -3.745 14.942 6.833 1.00 0.00 C ATOM 676 O GLN A 48 -4.948 14.913 6.577 1.00 0.00 O ATOM 677 CB GLN A 48 -3.801 16.978 8.286 1.00 0.00 C ATOM 678 CG GLN A 48 -2.905 17.437 9.425 1.00 0.00 C ATOM 679 CD GLN A 48 -3.527 18.551 10.244 1.00 0.00 C ATOM 680 OE1 GLN A 48 -4.552 18.357 10.900 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.910 19.727 10.210 1.00 0.00 N ATOM 0 H GLN A 48 -3.814 17.617 5.766 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.034 16.036 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.315 17.843 7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.568 16.313 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.689 16.590 10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.953 17.778 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.063 19.843 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.283 20.514 10.741 1.00 0.00 H new ATOM 690 N ILE A 49 -2.978 13.856 6.838 1.00 0.00 N ATOM 691 CA ILE A 49 -3.523 12.537 6.537 1.00 0.00 C ATOM 692 C ILE A 49 -4.530 12.103 7.597 1.00 0.00 C ATOM 693 O ILE A 49 -4.300 12.278 8.793 1.00 0.00 O ATOM 694 CB ILE A 49 -2.409 11.479 6.438 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.331 11.931 5.452 1.00 0.00 C ATOM 696 CG2 ILE A 49 -2.990 10.137 6.016 1.00 0.00 C ATOM 697 CD1 ILE A 49 -1.843 12.125 4.042 1.00 0.00 C ATOM 0 H ILE A 49 -1.980 13.863 7.047 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.026 12.615 5.573 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.951 11.363 7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.898 12.867 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.529 11.193 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.191 9.399 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.725 9.811 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.471 10.239 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.024 12.446 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.250 11.185 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.625 12.885 4.040 1.00 0.00 H new ATOM 709 N GLN A 50 -5.644 11.534 7.148 1.00 0.00 N ATOM 710 CA GLN A 50 -6.686 11.075 8.059 1.00 0.00 C ATOM 711 C GLN A 50 -6.869 9.564 7.957 1.00 0.00 C ATOM 712 O GLN A 50 -7.298 8.914 8.910 1.00 0.00 O ATOM 713 CB GLN A 50 -8.008 11.781 7.755 1.00 0.00 C ATOM 714 CG GLN A 50 -7.929 13.295 7.871 1.00 0.00 C ATOM 715 CD GLN A 50 -8.031 13.777 9.304 1.00 0.00 C ATOM 716 OE1 GLN A 50 -9.060 13.602 9.958 1.00 0.00 O ATOM 717 NE2 GLN A 50 -6.961 14.387 9.802 1.00 0.00 N ATOM 0 H GLN A 50 -5.848 11.380 6.161 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.378 11.319 9.076 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.327 11.518 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.773 11.412 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.988 13.640 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.730 13.743 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.129 14.511 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.971 14.732 10.762 1.00 0.00 H new ATOM 726 N GLY A 51 -6.539 9.009 6.794 1.00 0.00 N ATOM 727 CA GLY A 51 -6.675 7.579 6.589 1.00 0.00 C ATOM 728 C GLY A 51 -6.309 7.158 5.179 1.00 0.00 C ATOM 729 O GLY A 51 -5.645 7.899 4.456 1.00 0.00 O ATOM 0 H GLY A 51 -6.180 9.525 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.039 7.051 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.702 7.281 6.799 1.00 0.00 H new ATOM 733 N TYR A 52 -6.741 5.964 4.790 1.00 0.00 N ATOM 734 CA TYR A 52 -6.451 5.444 3.459 1.00 0.00 C ATOM 735 C TYR A 52 -7.591 4.562 2.958 1.00 0.00 C ATOM 736 O TYR A 52 -8.578 4.344 3.662 1.00 0.00 O ATOM 737 CB TYR A 52 -5.145 4.648 3.472 1.00 0.00 C ATOM 738 CG TYR A 52 -3.996 5.381 4.128 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.817 5.342 5.505 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.091 6.114 3.370 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.770 6.010 6.109 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.040 6.784 3.965 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.883 6.731 5.335 1.00 0.00 C ATOM 744 OH TYR A 52 -0.838 7.398 5.931 1.00 0.00 O ATOM 0 H TYR A 52 -7.293 5.338 5.377 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.346 6.291 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.309 3.705 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.869 4.401 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.509 4.779 6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.211 6.161 2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.646 5.969 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.344 7.347 3.361 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.308 7.855 5.245 1.00 0.00 H new ATOM 754 N ARG A 53 -7.448 4.057 1.737 1.00 0.00 N ATOM 755 CA ARG A 53 -8.465 3.199 1.140 1.00 0.00 C ATOM 756 C ARG A 53 -7.823 2.046 0.376 1.00 0.00 C ATOM 757 O ARG A 53 -6.845 2.235 -0.347 1.00 0.00 O ATOM 758 CB ARG A 53 -9.361 4.011 0.203 1.00 0.00 C ATOM 759 CG ARG A 53 -10.228 5.031 0.922 1.00 0.00 C ATOM 760 CD ARG A 53 -10.411 6.291 0.091 1.00 0.00 C ATOM 761 NE ARG A 53 -11.605 6.223 -0.750 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.197 7.291 -1.273 1.00 0.00 C ATOM 763 NH1 ARG A 53 -11.711 8.502 -1.042 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.279 7.148 -2.027 1.00 0.00 N ATOM 0 H ARG A 53 -6.638 4.227 1.142 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.073 2.785 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.737 4.527 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.003 3.329 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.202 4.593 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.773 5.288 1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.482 7.155 0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.533 6.442 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.005 5.305 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.880 8.616 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.168 9.320 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.657 6.218 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.733 7.968 -2.428 1.00 0.00 H new ATOM 778 N VAL A 54 -8.380 0.850 0.542 1.00 0.00 N ATOM 779 CA VAL A 54 -7.862 -0.334 -0.134 1.00 0.00 C ATOM 780 C VAL A 54 -8.886 -0.901 -1.111 1.00 0.00 C ATOM 781 O VAL A 54 -10.008 -1.232 -0.727 1.00 0.00 O ATOM 782 CB VAL A 54 -7.471 -1.431 0.877 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.789 -2.590 0.168 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.576 -0.857 1.965 1.00 0.00 C ATOM 0 H VAL A 54 -9.189 0.676 1.138 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.974 -0.022 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.378 -1.809 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.520 -3.355 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.469 -3.015 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.889 -2.232 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.309 -1.644 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.670 -0.451 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.106 -0.063 2.491 1.00 0.00 H new ATOM 794 N TYR A 55 -8.491 -1.010 -2.374 1.00 0.00 N ATOM 795 CA TYR A 55 -9.375 -1.534 -3.408 1.00 0.00 C ATOM 796 C TYR A 55 -9.007 -2.973 -3.761 1.00 0.00 C ATOM 797 O TYR A 55 -7.915 -3.241 -4.263 1.00 0.00 O ATOM 798 CB TYR A 55 -9.309 -0.658 -4.659 1.00 0.00 C ATOM 799 CG TYR A 55 -9.807 0.752 -4.437 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.065 1.663 -3.695 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.018 1.175 -4.968 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.516 2.952 -3.489 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.477 2.462 -4.769 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.721 3.348 -4.028 1.00 0.00 C ATOM 805 OH TYR A 55 -11.175 4.631 -3.826 1.00 0.00 O ATOM 0 H TYR A 55 -7.565 -0.743 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.393 -1.522 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.278 -0.619 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.899 -1.123 -5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.119 1.358 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.612 0.484 -5.548 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.927 3.646 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.421 2.773 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.039 4.747 -4.274 1.00 0.00 H new ATOM 815 N TYR A 56 -9.926 -3.894 -3.495 1.00 0.00 N ATOM 816 CA TYR A 56 -9.699 -5.305 -3.783 1.00 0.00 C ATOM 817 C TYR A 56 -11.005 -6.003 -4.154 1.00 0.00 C ATOM 818 O TYR A 56 -12.003 -5.900 -3.440 1.00 0.00 O ATOM 819 CB TYR A 56 -9.063 -5.997 -2.576 1.00 0.00 C ATOM 820 CG TYR A 56 -9.993 -6.123 -1.391 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.192 -5.057 -0.522 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.672 -7.309 -1.138 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.040 -5.166 0.561 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.524 -7.427 -0.057 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.703 -6.354 0.791 1.00 0.00 C ATOM 826 OH TYR A 56 -12.550 -6.470 1.870 1.00 0.00 O ATOM 0 H TYR A 56 -10.835 -3.689 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.019 -5.372 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.729 -6.991 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.176 -5.440 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.673 -4.126 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.531 -8.153 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.184 -4.326 1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.047 -8.354 0.123 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.565 -5.625 2.366 1.00 0.00 H new ATOM 836 N THR A 57 -10.990 -6.715 -5.277 1.00 0.00 N ATOM 837 CA THR A 57 -12.170 -7.430 -5.744 1.00 0.00 C ATOM 838 C THR A 57 -11.796 -8.512 -6.750 1.00 0.00 C ATOM 839 O THR A 57 -10.919 -8.314 -7.591 1.00 0.00 O ATOM 840 CB THR A 57 -13.187 -6.471 -6.392 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.433 -7.145 -6.598 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.663 -5.947 -7.722 1.00 0.00 C ATOM 0 H THR A 57 -10.173 -6.811 -5.880 1.00 0.00 H new ATOM 0 HA THR A 57 -12.625 -7.894 -4.869 1.00 0.00 H new ATOM 0 HB THR A 57 -13.338 -5.627 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.075 -6.528 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.397 -5.272 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.728 -5.410 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.488 -6.783 -8.399 1.00 0.00 H new ATOM 850 N MET A 58 -12.464 -9.656 -6.659 1.00 0.00 N ATOM 851 CA MET A 58 -12.202 -10.770 -7.563 1.00 0.00 C ATOM 852 C MET A 58 -12.587 -10.410 -8.994 1.00 0.00 C ATOM 853 O MET A 58 -12.115 -11.029 -9.948 1.00 0.00 O ATOM 854 CB MET A 58 -12.974 -12.013 -7.113 1.00 0.00 C ATOM 855 CG MET A 58 -14.463 -11.773 -6.937 1.00 0.00 C ATOM 856 SD MET A 58 -15.410 -13.307 -6.864 1.00 0.00 S ATOM 857 CE MET A 58 -14.455 -14.235 -5.667 1.00 0.00 C ATOM 0 H MET A 58 -13.192 -9.837 -5.968 1.00 0.00 H new ATOM 0 HA MET A 58 -11.134 -10.984 -7.535 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.826 -12.807 -7.845 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.558 -12.368 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.630 -11.204 -6.023 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.829 -11.163 -7.763 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.925 -15.204 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.443 -14.382 -6.044 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.415 -13.684 -4.727 1.00 0.00 H new ATOM 867 N ASP A 59 -13.444 -9.405 -9.138 1.00 0.00 N ATOM 868 CA ASP A 59 -13.891 -8.962 -10.452 1.00 0.00 C ATOM 869 C ASP A 59 -13.345 -7.574 -10.773 1.00 0.00 C ATOM 870 O ASP A 59 -14.033 -6.563 -10.639 1.00 0.00 O ATOM 871 CB ASP A 59 -15.419 -8.949 -10.519 1.00 0.00 C ATOM 872 CG ASP A 59 -15.988 -10.273 -10.992 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.341 -10.929 -11.836 1.00 0.00 O ATOM 874 OD2 ASP A 59 -17.081 -10.651 -10.521 1.00 0.00 O ATOM 0 H ASP A 59 -13.843 -8.881 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.509 -9.664 -11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.821 -8.715 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.744 -8.156 -11.192 1.00 0.00 H new ATOM 879 N PRO A 60 -12.076 -7.522 -11.205 1.00 0.00 N ATOM 880 CA PRO A 60 -11.409 -6.264 -11.553 1.00 0.00 C ATOM 881 C PRO A 60 -11.973 -5.641 -12.826 1.00 0.00 C ATOM 882 O PRO A 60 -11.625 -4.517 -13.187 1.00 0.00 O ATOM 883 CB PRO A 60 -9.951 -6.681 -11.761 1.00 0.00 C ATOM 884 CG PRO A 60 -10.019 -8.121 -12.135 1.00 0.00 C ATOM 885 CD PRO A 60 -11.196 -8.688 -11.390 1.00 0.00 C ATOM 0 HA PRO A 60 -11.543 -5.505 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.478 -6.090 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.364 -6.535 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.145 -8.239 -13.211 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.099 -8.639 -11.863 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.689 -9.477 -11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.897 -9.121 -10.436 1.00 0.00 H new ATOM 941 N VAL A 64 -13.169 1.063 -10.692 1.00 0.00 N ATOM 942 CA VAL A 64 -12.378 1.103 -9.468 1.00 0.00 C ATOM 943 C VAL A 64 -13.273 1.134 -8.235 1.00 0.00 C ATOM 944 O VAL A 64 -13.366 0.155 -7.497 1.00 0.00 O ATOM 945 CB VAL A 64 -11.446 2.329 -9.444 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.763 2.452 -8.091 1.00 0.00 C ATOM 947 CG2 VAL A 64 -10.418 2.237 -10.562 1.00 0.00 C ATOM 0 HA VAL A 64 -11.774 0.196 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.046 3.225 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.108 3.323 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.517 2.565 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.174 1.556 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.767 3.111 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.820 1.335 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.929 2.199 -11.524 1.00 0.00 H new ATOM 957 N ASN A 65 -13.932 2.268 -8.018 1.00 0.00 N ATOM 958 CA ASN A 65 -14.821 2.429 -6.873 1.00 0.00 C ATOM 959 C ASN A 65 -15.861 1.312 -6.831 1.00 0.00 C ATOM 960 O ASN A 65 -16.323 0.922 -5.760 1.00 0.00 O ATOM 961 CB ASN A 65 -15.519 3.789 -6.928 1.00 0.00 C ATOM 962 CG ASN A 65 -16.760 3.767 -7.800 1.00 0.00 C ATOM 963 OD1 ASN A 65 -17.878 3.636 -7.303 1.00 0.00 O ATOM 964 ND2 ASN A 65 -16.567 3.896 -9.108 1.00 0.00 N ATOM 0 H ASN A 65 -13.867 3.089 -8.620 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.218 2.375 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.793 4.095 -5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.823 4.536 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.364 3.889 -9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.622 4.002 -9.476 1.00 0.00 H new ATOM 971 N ASN A 66 -16.222 0.804 -8.005 1.00 0.00 N ATOM 972 CA ASN A 66 -17.207 -0.266 -8.103 1.00 0.00 C ATOM 973 C ASN A 66 -16.734 -1.511 -7.355 1.00 0.00 C ATOM 974 O ASN A 66 -17.531 -2.388 -7.024 1.00 0.00 O ATOM 975 CB ASN A 66 -17.474 -0.610 -9.569 1.00 0.00 C ATOM 976 CG ASN A 66 -18.630 0.182 -10.147 1.00 0.00 C ATOM 977 OD1 ASN A 66 -18.431 1.205 -10.804 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.850 -0.288 -9.904 1.00 0.00 N ATOM 0 H ASN A 66 -15.847 1.116 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.132 0.083 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.575 -0.416 -10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.687 -1.675 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.667 0.203 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.969 -1.139 -9.355 1.00 0.00 H new ATOM 985 N TRP A 67 -15.434 -1.577 -7.094 1.00 0.00 N ATOM 986 CA TRP A 67 -14.855 -2.714 -6.385 1.00 0.00 C ATOM 987 C TRP A 67 -15.448 -2.842 -4.986 1.00 0.00 C ATOM 988 O TRP A 67 -16.360 -2.104 -4.619 1.00 0.00 O ATOM 989 CB TRP A 67 -13.336 -2.565 -6.297 1.00 0.00 C ATOM 990 CG TRP A 67 -12.645 -2.722 -7.619 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.218 -2.644 -8.855 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.254 -2.981 -7.834 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.267 -2.842 -9.828 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.054 -3.049 -9.227 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.158 -3.161 -6.985 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.803 -3.291 -9.787 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -8.917 -3.403 -7.544 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.748 -3.465 -8.933 1.00 0.00 C ATOM 0 H TRP A 67 -14.761 -0.859 -7.362 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.093 -3.619 -6.944 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.098 -1.584 -5.885 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.945 -3.307 -5.601 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.265 -2.455 -9.042 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.437 -2.836 -10.834 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.279 -3.112 -5.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.670 -3.340 -10.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.063 -3.547 -6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.765 -3.654 -9.338 1.00 0.00 H new ATOM 1009 N MET A 68 -14.923 -3.785 -4.209 1.00 0.00 N ATOM 1010 CA MET A 68 -15.399 -4.008 -2.849 1.00 0.00 C ATOM 1011 C MET A 68 -14.928 -2.896 -1.919 1.00 0.00 C ATOM 1012 O MET A 68 -15.675 -2.436 -1.056 1.00 0.00 O ATOM 1013 CB MET A 68 -14.915 -5.363 -2.333 1.00 0.00 C ATOM 1014 CG MET A 68 -16.043 -6.303 -1.940 1.00 0.00 C ATOM 1015 SD MET A 68 -15.474 -7.990 -1.653 1.00 0.00 S ATOM 1016 CE MET A 68 -14.790 -8.394 -3.258 1.00 0.00 C ATOM 0 H MET A 68 -14.168 -4.407 -4.499 1.00 0.00 H new ATOM 0 HA MET A 68 -16.489 -4.003 -2.866 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.308 -5.840 -3.103 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.269 -5.204 -1.470 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.525 -5.928 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.798 -6.307 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.188 -9.352 -3.593 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.061 -7.618 -3.974 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.704 -8.458 -3.185 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.683 -2.467 -2.099 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.111 -1.409 -1.276 1.00 0.00 C ATOM 1028 C LYS A 69 -13.016 -1.844 0.182 1.00 0.00 C ATOM 1029 O LYS A 69 -13.684 -2.790 0.602 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.955 -0.136 -1.386 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.281 0.256 -2.817 1.00 0.00 C ATOM 1032 CD LYS A 69 -14.909 1.638 -2.887 1.00 0.00 C ATOM 1033 CE LYS A 69 -13.874 2.732 -2.670 1.00 0.00 C ATOM 1034 NZ LYS A 69 -14.335 3.740 -1.675 1.00 0.00 N ATOM 0 H LYS A 69 -13.051 -2.837 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.105 -1.203 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.885 -0.278 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.423 0.685 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.371 0.238 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.962 -0.477 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.385 1.774 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.692 1.722 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.940 2.286 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.664 3.227 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.520 4.090 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.788 4.534 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.019 3.300 -1.027 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.183 -1.149 0.950 1.00 0.00 N ATOM 1049 CA HIS A 70 -12.003 -1.463 2.362 1.00 0.00 C ATOM 1050 C HIS A 70 -12.084 -0.200 3.216 1.00 0.00 C ATOM 1051 O HIS A 70 -12.371 0.884 2.709 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.659 -2.158 2.586 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.718 -3.266 3.590 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.755 -4.172 3.653 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -9.857 -3.615 4.576 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.532 -5.028 4.634 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.386 -4.711 5.210 1.00 0.00 N ATOM 0 H HIS A 70 -11.622 -0.365 0.618 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.806 -2.136 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.303 -2.558 1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.928 -1.420 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.927 -3.122 4.818 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.176 -5.847 4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.963 -5.201 5.998 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.829 -0.349 4.511 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.873 0.780 5.433 1.00 0.00 C ATOM 1067 C ASN A 71 -10.584 0.871 6.244 1.00 0.00 C ATOM 1068 O ASN A 71 -10.109 -0.124 6.789 1.00 0.00 O ATOM 1069 CB ASN A 71 -13.073 0.649 6.375 1.00 0.00 C ATOM 1070 CG ASN A 71 -14.110 1.732 6.143 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -14.504 2.436 7.074 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.555 1.868 4.901 1.00 0.00 N ATOM 0 H ASN A 71 -11.590 -1.240 4.946 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.977 1.693 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.535 -0.329 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.728 0.695 7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.253 2.579 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.199 1.261 4.162 1.00 0.00 H new ATOM 1079 N VAL A 72 -10.022 2.074 6.319 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.790 2.296 7.064 1.00 0.00 C ATOM 1081 C VAL A 72 -8.858 3.591 7.866 1.00 0.00 C ATOM 1082 O VAL A 72 -9.450 4.576 7.426 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.568 2.351 6.126 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.296 2.604 6.920 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.458 1.066 5.320 1.00 0.00 C ATOM 0 H VAL A 72 -10.401 2.909 5.873 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.678 1.454 7.747 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.703 3.179 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.444 2.640 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.379 3.554 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.151 1.800 7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.590 1.122 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.346 0.220 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.359 0.934 4.721 1.00 0.00 H new ATOM 1095 N ALA A 73 -8.249 3.582 9.048 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.239 4.756 9.911 1.00 0.00 C ATOM 1097 C ALA A 73 -6.813 5.159 10.275 1.00 0.00 C ATOM 1098 O ALA A 73 -6.466 5.254 11.452 1.00 0.00 O ATOM 1099 CB ALA A 73 -9.053 4.493 11.169 1.00 0.00 C ATOM 0 H ALA A 73 -7.756 2.774 9.429 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.693 5.582 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.037 5.378 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.082 4.262 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.624 3.650 11.710 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.992 5.391 9.256 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.603 5.783 9.470 1.00 0.00 C ATOM 1107 C ASP A 74 -3.835 4.687 10.199 1.00 0.00 C ATOM 1108 O ASP A 74 -3.286 4.912 11.278 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.537 7.088 10.266 1.00 0.00 C ATOM 1110 CG ASP A 74 -3.138 7.674 10.299 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.710 8.245 9.275 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.472 7.560 11.350 1.00 0.00 O ATOM 0 H ASP A 74 -6.263 5.315 8.276 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.140 5.937 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.222 7.813 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.876 6.906 11.286 1.00 0.00 H new ATOM 1117 N SER A 75 -3.801 3.499 9.605 1.00 0.00 N ATOM 1118 CA SER A 75 -3.103 2.365 10.202 1.00 0.00 C ATOM 1119 C SER A 75 -1.940 1.919 9.320 1.00 0.00 C ATOM 1120 O SER A 75 -0.972 1.332 9.804 1.00 0.00 O ATOM 1121 CB SER A 75 -4.071 1.200 10.417 1.00 0.00 C ATOM 1122 OG SER A 75 -3.937 0.661 11.720 1.00 0.00 O ATOM 0 H SER A 75 -4.248 3.296 8.711 1.00 0.00 H new ATOM 0 HA SER A 75 -2.705 2.680 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.095 1.541 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.880 0.423 9.677 1.00 0.00 H new ATOM 0 HG SER A 75 -4.567 -0.081 11.834 1.00 0.00 H new ATOM 1128 N GLN A 76 -2.044 2.201 8.027 1.00 0.00 N ATOM 1129 CA GLN A 76 -1.001 1.828 7.078 1.00 0.00 C ATOM 1130 C GLN A 76 -0.852 0.313 7.000 1.00 0.00 C ATOM 1131 O GLN A 76 0.174 -0.198 6.550 1.00 0.00 O ATOM 1132 CB GLN A 76 0.331 2.464 7.477 1.00 0.00 C ATOM 1133 CG GLN A 76 0.723 3.650 6.610 1.00 0.00 C ATOM 1134 CD GLN A 76 2.009 4.309 7.070 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.095 5.534 7.157 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.018 3.498 7.367 1.00 0.00 N ATOM 0 H GLN A 76 -2.839 2.686 7.611 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.291 2.196 6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.273 2.788 8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.115 1.709 7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.838 3.319 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.082 4.385 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.903 2.488 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.908 3.885 7.681 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.881 -0.402 7.444 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.865 -1.859 7.424 1.00 0.00 C ATOM 1147 C ILE A 77 -3.262 -2.428 7.646 1.00 0.00 C ATOM 1148 O ILE A 77 -3.990 -1.989 8.537 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.916 -2.426 8.498 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.772 -3.940 8.334 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.427 -2.085 9.890 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.163 -4.571 9.342 1.00 0.00 C ATOM 0 H ILE A 77 -2.736 0.005 7.822 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.506 -2.157 6.439 1.00 0.00 H new ATOM 0 HB ILE A 77 0.066 -1.970 8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.755 -4.402 8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.409 -4.156 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.746 -2.492 10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.483 -1.002 10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.418 -2.516 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.217 -5.645 9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.157 -4.136 9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.210 -4.387 10.349 1.00 0.00 H new ATOM 1164 N THR A 78 -3.632 -3.410 6.829 1.00 0.00 N ATOM 1165 CA THR A 78 -4.941 -4.041 6.935 1.00 0.00 C ATOM 1166 C THR A 78 -4.869 -5.521 6.576 1.00 0.00 C ATOM 1167 O THR A 78 -4.058 -5.931 5.745 1.00 0.00 O ATOM 1168 CB THR A 78 -5.972 -3.351 6.021 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.284 -3.851 6.301 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.637 -3.583 4.556 1.00 0.00 C ATOM 0 H THR A 78 -3.042 -3.785 6.086 1.00 0.00 H new ATOM 0 HA THR A 78 -5.259 -3.938 7.972 1.00 0.00 H new ATOM 0 HB THR A 78 -5.942 -2.279 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.860 -3.113 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.379 -3.087 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.649 -3.176 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.643 -4.653 4.346 1.00 0.00 H new ATOM 1178 N THR A 79 -5.726 -6.319 7.205 1.00 0.00 N ATOM 1179 CA THR A 79 -5.759 -7.754 6.953 1.00 0.00 C ATOM 1180 C THR A 79 -7.114 -8.183 6.399 1.00 0.00 C ATOM 1181 O THR A 79 -8.140 -8.043 7.066 1.00 0.00 O ATOM 1182 CB THR A 79 -5.463 -8.558 8.233 1.00 0.00 C ATOM 1183 OG1 THR A 79 -6.062 -7.917 9.363 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.962 -8.688 8.454 1.00 0.00 C ATOM 0 H THR A 79 -6.406 -5.996 7.893 1.00 0.00 H new ATOM 0 HA THR A 79 -4.984 -7.963 6.216 1.00 0.00 H new ATOM 0 HB THR A 79 -5.886 -9.556 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.871 -8.435 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.776 -9.259 9.363 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.512 -9.202 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.521 -7.696 8.553 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.110 -8.707 5.177 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.338 -9.158 4.537 1.00 0.00 C ATOM 1194 C ILE A 80 -8.390 -10.680 4.457 1.00 0.00 C ATOM 1195 O ILE A 80 -7.389 -11.331 4.161 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.480 -8.576 3.118 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.468 -7.047 3.167 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.756 -9.081 2.463 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.360 -6.400 1.803 1.00 0.00 C ATOM 0 H ILE A 80 -6.270 -8.829 4.612 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.164 -8.800 5.152 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.632 -8.908 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.379 -6.700 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.632 -6.718 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.842 -8.661 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.726 -10.169 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.616 -8.776 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.357 -5.316 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.435 -6.718 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.210 -6.700 1.190 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.566 -11.241 4.723 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.728 -12.683 4.675 1.00 0.00 C ATOM 1213 C GLY A 81 -11.072 -13.097 4.109 1.00 0.00 C ATOM 1214 O GLY A 81 -11.761 -12.296 3.481 1.00 0.00 O ATOM 0 H GLY A 81 -10.409 -10.723 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.933 -13.115 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.619 -13.091 5.680 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.442 -14.354 4.331 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.712 -14.873 3.837 1.00 0.00 C ATOM 1220 C ASN A 82 -12.751 -14.856 2.311 1.00 0.00 C ATOM 1221 O ASN A 82 -13.802 -14.637 1.708 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.876 -14.053 4.396 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.147 -14.869 4.531 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.105 -16.099 4.585 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.285 -14.187 4.585 1.00 0.00 N ATOM 0 H ASN A 82 -10.882 -15.031 4.849 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.808 -15.905 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.599 -13.653 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.063 -13.200 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.172 -14.682 4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.272 -13.168 4.537 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.597 -15.087 1.694 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.498 -15.101 0.238 1.00 0.00 C ATOM 1234 C LEU A 83 -11.429 -16.529 -0.291 1.00 0.00 C ATOM 1235 O LEU A 83 -11.607 -17.488 0.458 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.265 -14.316 -0.215 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.954 -13.042 0.571 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.571 -12.520 0.215 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -11.011 -11.980 0.305 1.00 0.00 C ATOM 0 H LEU A 83 -10.718 -15.267 2.178 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.393 -14.628 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.398 -14.975 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.394 -14.049 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.967 -13.281 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.367 -11.613 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.824 -13.276 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.530 -12.297 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.774 -11.080 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.030 -11.744 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.988 -12.354 0.611 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.169 -16.662 -1.588 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.072 -17.974 -2.218 1.00 0.00 C ATOM 1253 C VAL A 84 -9.661 -18.235 -2.731 1.00 0.00 C ATOM 1254 O VAL A 84 -9.046 -17.393 -3.384 1.00 0.00 O ATOM 1255 CB VAL A 84 -12.067 -18.109 -3.387 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.820 -17.024 -4.424 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.965 -19.491 -4.014 1.00 0.00 C ATOM 0 H VAL A 84 -11.022 -15.877 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.318 -18.712 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.078 -17.985 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.531 -17.134 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.946 -16.044 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.805 -17.115 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.674 -19.570 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.954 -19.646 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.194 -20.248 -3.264 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.135 -19.432 -2.432 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.789 -19.832 -2.854 1.00 0.00 C ATOM 1269 C PRO A 85 -7.699 -20.061 -4.360 1.00 0.00 C ATOM 1270 O PRO A 85 -8.714 -20.247 -5.029 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.557 -21.144 -2.100 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.923 -21.683 -1.847 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.811 -20.486 -1.657 1.00 0.00 C ATOM 0 HA PRO A 85 -7.048 -19.063 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.960 -21.839 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.019 -20.975 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.263 -22.293 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.933 -22.321 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.820 -20.672 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.901 -20.216 -0.605 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.478 -20.044 -4.882 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.256 -20.248 -6.309 1.00 0.00 C ATOM 1283 C GLN A 86 -7.128 -19.309 -7.136 1.00 0.00 C ATOM 1284 O GLN A 86 -7.847 -19.744 -8.037 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.548 -21.702 -6.688 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.504 -22.683 -6.183 1.00 0.00 C ATOM 1287 CD GLN A 86 -6.075 -23.689 -5.203 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -5.939 -23.538 -3.989 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -6.723 -24.725 -5.727 1.00 0.00 N ATOM 0 H GLN A 86 -5.628 -19.891 -4.340 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.211 -20.026 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.522 -21.984 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.613 -21.780 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.069 -23.213 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.695 -22.132 -5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.812 -24.811 -6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.131 -25.433 -5.117 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.059 -18.019 -6.825 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.841 -17.017 -7.540 1.00 0.00 C ATOM 1300 C LYS A 87 -7.136 -15.664 -7.523 1.00 0.00 C ATOM 1301 O LYS A 87 -6.797 -15.143 -6.460 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.233 -16.887 -6.916 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.174 -18.020 -7.288 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.430 -18.063 -8.786 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.823 -18.587 -9.098 1.00 0.00 C ATOM 1306 NZ LYS A 87 -12.043 -18.744 -10.562 1.00 0.00 N ATOM 0 H LYS A 87 -6.470 -17.643 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.942 -17.341 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.134 -16.850 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.675 -15.941 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.748 -18.969 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.119 -17.897 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.314 -17.063 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.685 -18.698 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.968 -19.548 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.568 -17.903 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.004 -19.103 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.930 -17.823 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.349 -19.416 -10.947 1.00 0.00 H new ATOM 1320 N THR A 88 -6.922 -15.099 -8.706 1.00 0.00 N ATOM 1321 CA THR A 88 -6.260 -13.807 -8.827 1.00 0.00 C ATOM 1322 C THR A 88 -7.082 -12.703 -8.172 1.00 0.00 C ATOM 1323 O THR A 88 -8.280 -12.574 -8.427 1.00 0.00 O ATOM 1324 CB THR A 88 -6.009 -13.440 -10.302 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.221 -14.454 -10.933 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.303 -12.097 -10.413 1.00 0.00 C ATOM 0 H THR A 88 -7.198 -15.516 -9.595 1.00 0.00 H new ATOM 0 HA THR A 88 -5.302 -13.894 -8.314 1.00 0.00 H new ATOM 0 HB THR A 88 -6.974 -13.367 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.068 -14.213 -11.871 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.137 -11.859 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.921 -11.322 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.345 -12.146 -9.896 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.433 -11.908 -7.329 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.105 -10.816 -6.636 1.00 0.00 C ATOM 1336 C TYR A 89 -6.345 -9.505 -6.819 1.00 0.00 C ATOM 1337 O TYR A 89 -5.121 -9.463 -6.698 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.242 -11.137 -5.147 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.593 -11.703 -4.771 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.671 -10.866 -4.509 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.790 -13.075 -4.676 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.906 -11.379 -4.165 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -10.023 -13.597 -4.333 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.077 -12.745 -4.078 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.306 -13.261 -3.736 1.00 0.00 O ATOM 0 H TYR A 89 -5.441 -12.000 -7.109 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.099 -10.701 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.467 -11.850 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.065 -10.229 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.541 -9.796 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.966 -13.745 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.733 -10.714 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.160 -14.666 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.939 -12.528 -3.589 1.00 0.00 H new ATOM 1355 N SER A 90 -7.082 -8.439 -7.108 1.00 0.00 N ATOM 1356 CA SER A 90 -6.479 -7.126 -7.311 1.00 0.00 C ATOM 1357 C SER A 90 -6.345 -6.380 -5.987 1.00 0.00 C ATOM 1358 O SER A 90 -7.125 -6.593 -5.060 1.00 0.00 O ATOM 1359 CB SER A 90 -7.317 -6.302 -8.290 1.00 0.00 C ATOM 1360 OG SER A 90 -7.357 -6.914 -9.568 1.00 0.00 O ATOM 0 H SER A 90 -8.097 -8.457 -7.207 1.00 0.00 H new ATOM 0 HA SER A 90 -5.483 -7.272 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.330 -6.193 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.899 -5.299 -8.377 1.00 0.00 H new ATOM 0 HG SER A 90 -6.823 -7.736 -9.554 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.349 -5.504 -5.907 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.111 -4.724 -4.698 1.00 0.00 C ATOM 1368 C VAL A 91 -4.535 -3.352 -5.033 1.00 0.00 C ATOM 1369 O VAL A 91 -3.578 -3.239 -5.799 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.149 -5.453 -3.741 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.951 -4.648 -2.466 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.668 -6.848 -3.425 1.00 0.00 C ATOM 0 H VAL A 91 -4.693 -5.316 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.076 -4.599 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.181 -5.552 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.268 -5.179 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.532 -3.673 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.911 -4.514 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.976 -7.349 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.648 -6.773 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.752 -7.422 -4.347 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.124 -2.313 -4.452 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.671 -0.947 -4.686 1.00 0.00 C ATOM 1384 C LYS A 92 -4.848 -0.093 -3.435 1.00 0.00 C ATOM 1385 O LYS A 92 -5.905 -0.112 -2.802 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.439 -0.325 -5.855 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.567 -1.246 -7.055 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.452 -0.639 -8.132 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.698 0.393 -8.959 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.432 0.750 -10.204 1.00 0.00 N ATOM 0 H LYS A 92 -5.917 -2.391 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.610 -0.981 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.436 -0.043 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.936 0.592 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.578 -1.448 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.982 -2.203 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.825 -1.428 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.321 -0.171 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.538 1.291 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.714 0.003 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.886 1.455 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.562 -0.102 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.361 1.146 -9.958 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.810 0.658 -3.084 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.853 1.522 -1.910 1.00 0.00 C ATOM 1406 C VAL A 93 -3.550 2.969 -2.281 1.00 0.00 C ATOM 1407 O VAL A 93 -2.703 3.239 -3.133 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.851 1.058 -0.835 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.007 1.885 0.432 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.033 -0.423 -0.542 1.00 0.00 C ATOM 0 H VAL A 93 -2.928 0.686 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.863 1.458 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.840 1.208 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.292 1.543 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.822 2.935 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.019 1.770 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.317 -0.734 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.046 -0.601 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.866 -0.997 -1.453 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.247 3.898 -1.636 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.052 5.320 -1.897 1.00 0.00 C ATOM 1422 C LEU A 94 -4.092 6.122 -0.599 1.00 0.00 C ATOM 1423 O LEU A 94 -4.471 5.605 0.450 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.125 5.832 -2.858 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.482 6.166 -2.236 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.525 7.624 -1.802 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.607 5.866 -3.216 1.00 0.00 C ATOM 0 H LEU A 94 -4.952 3.692 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.071 5.450 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.745 6.726 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.278 5.081 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.620 5.541 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.498 7.844 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.743 7.807 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.365 8.266 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.565 6.110 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.474 6.465 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.589 4.808 -3.478 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.697 7.388 -0.681 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.690 8.262 0.484 1.00 0.00 C ATOM 1441 C ALA A 95 -4.606 9.464 0.275 1.00 0.00 C ATOM 1442 O ALA A 95 -4.613 10.072 -0.796 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.273 8.724 0.790 1.00 0.00 C ATOM 0 H ALA A 95 -3.378 7.831 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.067 7.694 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.284 9.376 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.643 7.857 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.875 9.270 -0.066 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.377 9.803 1.302 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.297 10.930 1.230 1.00 0.00 C ATOM 1451 C PHE A 96 -6.268 11.740 2.523 1.00 0.00 C ATOM 1452 O PHE A 96 -5.847 11.246 3.569 1.00 0.00 O ATOM 1453 CB PHE A 96 -7.720 10.438 0.954 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.360 9.766 2.135 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.063 10.505 3.073 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.261 8.394 2.305 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.652 9.889 4.160 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.849 7.772 3.390 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.546 8.519 4.318 1.00 0.00 C ATOM 0 H PHE A 96 -5.382 9.312 2.196 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.978 11.575 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.336 11.284 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.699 9.741 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.151 11.575 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.718 7.804 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.195 10.476 4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.763 6.702 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.008 8.035 5.166 1.00 0.00 H new ATOM 1469 N THR A 97 -6.719 12.989 2.442 1.00 0.00 N ATOM 1470 CA THR A 97 -6.744 13.869 3.603 1.00 0.00 C ATOM 1471 C THR A 97 -8.103 14.540 3.756 1.00 0.00 C ATOM 1472 O THR A 97 -8.993 14.358 2.925 1.00 0.00 O ATOM 1473 CB THR A 97 -5.655 14.955 3.509 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.880 15.775 2.357 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.271 14.329 3.431 1.00 0.00 C ATOM 0 H THR A 97 -7.072 13.413 1.584 1.00 0.00 H new ATOM 0 HA THR A 97 -6.550 13.245 4.476 1.00 0.00 H new ATOM 0 HB THR A 97 -5.707 15.570 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.547 16.680 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.519 15.115 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.092 13.729 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.209 13.693 2.548 1.00 0.00 H new ATOM 1483 N SER A 98 -8.259 15.317 4.824 1.00 0.00 N ATOM 1484 CA SER A 98 -9.513 16.012 5.087 1.00 0.00 C ATOM 1485 C SER A 98 -9.910 16.882 3.898 1.00 0.00 C ATOM 1486 O SER A 98 -11.094 17.150 3.680 1.00 0.00 O ATOM 1487 CB SER A 98 -9.388 16.875 6.344 1.00 0.00 C ATOM 1488 OG SER A 98 -10.418 16.577 7.270 1.00 0.00 O ATOM 0 H SER A 98 -7.532 15.481 5.521 1.00 0.00 H new ATOM 0 HA SER A 98 -10.289 15.263 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.417 16.707 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.433 17.929 6.071 1.00 0.00 H new ATOM 0 HG SER A 98 -10.316 17.140 8.066 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.916 17.319 3.133 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.161 18.157 1.966 1.00 0.00 C ATOM 1496 C ILE A 99 -9.809 17.357 0.840 1.00 0.00 C ATOM 1497 O ILE A 99 -10.965 17.581 0.490 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.859 18.793 1.445 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.195 19.621 2.546 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -8.142 19.655 0.224 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -8.079 20.720 3.093 1.00 0.00 C ATOM 0 H ILE A 99 -7.933 17.107 3.300 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.840 18.948 2.284 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.175 17.997 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.905 18.959 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.279 20.064 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.212 20.098 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.576 19.039 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.841 20.447 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.543 21.266 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.348 21.405 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.984 20.283 3.515 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.053 16.418 0.279 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.570 15.595 -0.800 1.00 0.00 C ATOM 1515 C GLY A 100 -8.973 14.202 -0.804 1.00 0.00 C ATOM 1516 O GLY A 100 -8.711 13.629 0.252 1.00 0.00 O ATOM 0 H GLY A 100 -8.092 16.212 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.654 15.522 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.361 16.079 -1.754 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.758 13.656 -1.997 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.189 12.322 -2.135 1.00 0.00 C ATOM 1522 C ASP A 101 -6.941 12.350 -3.011 1.00 0.00 C ATOM 1523 O ASP A 101 -6.727 13.292 -3.774 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.222 11.362 -2.728 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.110 12.034 -3.758 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.572 12.728 -4.645 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.346 11.864 -3.676 1.00 0.00 O ATOM 0 H ASP A 101 -8.970 14.118 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.906 11.971 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.708 10.519 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.841 10.958 -1.927 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.117 11.314 -2.893 1.00 0.00 N ATOM 1533 CA GLY A 102 -4.899 11.241 -3.680 1.00 0.00 C ATOM 1534 C GLY A 102 -4.939 10.129 -4.709 1.00 0.00 C ATOM 1535 O GLY A 102 -5.822 9.271 -4.693 1.00 0.00 O ATOM 0 H GLY A 102 -6.271 10.524 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.739 12.194 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.049 11.086 -3.015 1.00 0.00 H new ATOM 1539 N PRO A 103 -3.963 10.133 -5.629 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.869 9.125 -6.689 1.00 0.00 C ATOM 1541 C PRO A 103 -3.484 7.752 -6.147 1.00 0.00 C ATOM 1542 O PRO A 103 -2.634 7.637 -5.264 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.766 9.669 -7.598 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.933 10.529 -6.713 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.878 11.127 -5.708 1.00 0.00 C ATOM 0 HA PRO A 103 -4.822 8.975 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.177 8.861 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.183 10.241 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.157 9.944 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.430 11.307 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.396 11.274 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.247 12.100 -6.032 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.115 6.712 -6.682 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.838 5.346 -6.254 1.00 0.00 C ATOM 1555 C LEU A 104 -2.421 4.929 -6.640 1.00 0.00 C ATOM 1556 O LEU A 104 -1.752 5.615 -7.412 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.852 4.381 -6.872 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.264 4.427 -6.288 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.296 4.560 -7.397 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.535 3.186 -5.450 1.00 0.00 C ATOM 0 H LEU A 104 -4.822 6.789 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.924 5.308 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.915 4.587 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.469 3.366 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.341 5.301 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.295 4.591 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.114 5.479 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.219 3.706 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.545 3.236 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.439 2.297 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.816 3.135 -4.633 1.00 0.00 H new ATOM 1572 N SER A 105 -1.974 3.800 -6.100 1.00 0.00 N ATOM 1573 CA SER A 105 -0.638 3.294 -6.388 1.00 0.00 C ATOM 1574 C SER A 105 -0.658 2.361 -7.594 1.00 0.00 C ATOM 1575 O SER A 105 -1.701 2.155 -8.217 1.00 0.00 O ATOM 1576 CB SER A 105 -0.075 2.559 -5.169 1.00 0.00 C ATOM 1577 OG SER A 105 -0.226 1.156 -5.306 1.00 0.00 O ATOM 0 H SER A 105 -2.517 3.219 -5.461 1.00 0.00 H new ATOM 0 HA SER A 105 0.004 4.144 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.980 2.804 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.587 2.897 -4.268 1.00 0.00 H new ATOM 0 HG SER A 105 0.143 0.709 -4.516 1.00 0.00 H new ATOM 1583 N SER A 106 0.502 1.799 -7.920 1.00 0.00 N ATOM 1584 CA SER A 106 0.619 0.890 -9.054 1.00 0.00 C ATOM 1585 C SER A 106 -0.251 -0.346 -8.851 1.00 0.00 C ATOM 1586 O SER A 106 -0.039 -1.124 -7.921 1.00 0.00 O ATOM 1587 CB SER A 106 2.078 0.473 -9.253 1.00 0.00 C ATOM 1588 OG SER A 106 2.176 -0.643 -10.119 1.00 0.00 O ATOM 0 H SER A 106 1.374 1.957 -7.415 1.00 0.00 H new ATOM 0 HA SER A 106 0.274 1.414 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.645 1.308 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.524 0.229 -8.289 1.00 0.00 H new ATOM 0 HG SER A 106 3.118 -0.889 -10.231 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.232 -0.522 -9.731 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.135 -1.664 -9.651 1.00 0.00 C ATOM 1596 C ASP A 107 -1.352 -2.971 -9.565 1.00 0.00 C ATOM 1597 O ASP A 107 -0.635 -3.338 -10.496 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.065 -1.691 -10.865 1.00 0.00 C ATOM 1599 CG ASP A 107 -2.326 -1.446 -12.167 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.027 -0.271 -12.467 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -2.047 -2.429 -12.884 1.00 0.00 O ATOM 0 H ASP A 107 -1.421 0.112 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.734 -1.560 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.568 -2.657 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.840 -0.934 -10.742 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.493 -3.667 -8.442 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.800 -4.932 -8.235 1.00 0.00 C ATOM 1608 C ILE A 108 -1.786 -6.093 -8.159 1.00 0.00 C ATOM 1609 O ILE A 108 -2.982 -5.892 -7.950 1.00 0.00 O ATOM 1610 CB ILE A 108 0.045 -4.906 -6.948 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.787 -4.381 -5.776 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.288 -4.051 -7.148 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.029 -4.341 -4.468 1.00 0.00 C ATOM 0 H ILE A 108 -2.081 -3.376 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.140 -5.074 -9.091 1.00 0.00 H new ATOM 0 HB ILE A 108 0.361 -5.923 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.141 -3.377 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.669 -5.010 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.875 -4.042 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.888 -4.465 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.992 -3.032 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.680 -3.959 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.302 -5.347 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.838 -3.689 -4.570 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.275 -7.308 -8.330 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.111 -8.502 -8.280 1.00 0.00 C ATOM 1627 C GLN A 109 -1.432 -9.607 -7.476 1.00 0.00 C ATOM 1628 O GLN A 109 -0.257 -9.910 -7.686 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.414 -8.996 -9.694 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.002 -7.924 -10.600 1.00 0.00 C ATOM 1631 CD GLN A 109 -4.426 -7.565 -10.231 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -5.175 -8.394 -9.713 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.812 -6.321 -10.497 1.00 0.00 N ATOM 0 H GLN A 109 -0.287 -7.492 -8.504 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.047 -8.241 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.496 -9.375 -10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -3.110 -9.833 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.381 -7.030 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.975 -8.272 -11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.159 -5.665 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.761 -6.022 -10.271 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.180 -10.208 -6.558 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.652 -11.280 -5.723 1.00 0.00 C ATOM 1644 C VAL A 110 -2.563 -12.502 -5.758 1.00 0.00 C ATOM 1645 O VAL A 110 -3.779 -12.388 -5.599 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.481 -10.823 -4.263 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.809 -10.350 -3.692 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.899 -11.947 -3.418 1.00 0.00 C ATOM 0 H VAL A 110 -3.155 -9.971 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.676 -11.545 -6.129 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.785 -9.985 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.668 -10.031 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.182 -9.513 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.530 -11.166 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.785 -11.607 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.569 -12.806 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.074 -12.234 -3.815 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.966 -13.672 -5.967 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.724 -14.916 -6.022 1.00 0.00 C ATOM 1660 C ILE A 111 -2.856 -15.541 -4.635 1.00 0.00 C ATOM 1661 O ILE A 111 -1.893 -15.588 -3.870 1.00 0.00 O ATOM 1662 CB ILE A 111 -2.067 -15.936 -6.970 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.961 -15.355 -8.382 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.858 -17.235 -6.984 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.594 -15.531 -9.008 1.00 0.00 C ATOM 0 H ILE A 111 -0.961 -13.784 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.714 -14.665 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.062 -16.151 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.707 -15.831 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.202 -14.292 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.380 -17.945 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.887 -17.654 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.874 -17.038 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.593 -15.096 -10.007 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.155 -15.031 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.358 -16.593 -9.075 1.00 0.00 H new ATOM 1677 N THR A 112 -4.055 -16.020 -4.321 1.00 0.00 N ATOM 1678 CA THR A 112 -4.314 -16.642 -3.029 1.00 0.00 C ATOM 1679 C THR A 112 -3.703 -18.037 -2.958 1.00 0.00 C ATOM 1680 O THR A 112 -4.346 -19.024 -3.315 1.00 0.00 O ATOM 1681 CB THR A 112 -5.823 -16.741 -2.744 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.525 -17.098 -3.940 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.361 -15.421 -2.212 1.00 0.00 C ATOM 0 H THR A 112 -4.862 -15.989 -4.944 1.00 0.00 H new ATOM 0 HA THR A 112 -3.851 -16.006 -2.275 1.00 0.00 H new ATOM 0 HB THR A 112 -5.977 -17.511 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.490 -17.072 -3.773 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.429 -15.515 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.845 -15.164 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.194 -14.636 -2.950 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.459 -18.112 -2.495 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.763 -19.387 -2.379 1.00 0.00 C ATOM 1693 C GLN A 113 -0.921 -19.433 -1.108 1.00 0.00 C ATOM 1694 O GLN A 113 -0.211 -18.480 -0.786 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.877 -19.623 -3.602 1.00 0.00 C ATOM 1696 CG GLN A 113 0.384 -18.771 -3.612 1.00 0.00 C ATOM 1697 CD GLN A 113 1.223 -18.985 -4.856 1.00 0.00 C ATOM 1698 OE1 GLN A 113 1.358 -20.108 -5.343 1.00 0.00 O ATOM 1699 NE2 GLN A 113 1.794 -17.905 -5.378 1.00 0.00 N ATOM 0 H GLN A 113 -1.913 -17.305 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.512 -20.177 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.595 -20.675 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.453 -19.416 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.108 -17.719 -3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.982 -19.003 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.655 -16.993 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.371 -17.987 -6.215 1.00 0.00 H new