USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -126:sc= 1.31 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -78:sc= 0.883 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.532 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -56:sc= 1.23 USER MOD Single : A 46 GLN : amide:sc= -9.65! C(o=-9.6!,f=-13!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -80:sc= 0.512 USER MOD Single : A 57 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0301 F(o=-1.1,f=-0.03) USER MOD Single : A 85 TYR OH : rot 152:sc= 1.38 USER MOD Single : A 88 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 13.010 -41.011 -8.697 1.00 30.42 N ATOM 195 CA GLU A 15 11.693 -41.600 -8.909 1.00 13.23 C ATOM 196 C GLU A 15 10.630 -40.860 -8.101 1.00 22.35 C ATOM 197 O GLU A 15 10.901 -39.815 -7.508 1.00 71.41 O ATOM 198 CB GLU A 15 11.703 -43.081 -8.524 1.00 1.44 C ATOM 199 CG GLU A 15 11.310 -44.008 -9.661 1.00 74.01 C ATOM 200 CD GLU A 15 12.316 -45.121 -9.881 1.00 52.11 C ATOM 201 OE1 GLU A 15 12.021 -46.271 -9.494 1.00 61.32 O ATOM 202 OE2 GLU A 15 13.397 -44.842 -10.439 1.00 42.14 O ATOM 0 HA GLU A 15 11.449 -41.510 -9.968 1.00 13.23 H new ATOM 0 HB2 GLU A 15 12.700 -43.350 -8.175 1.00 1.44 H new ATOM 0 HB3 GLU A 15 11.020 -43.235 -7.688 1.00 1.44 H new ATOM 0 HG2 GLU A 15 10.333 -44.443 -9.449 1.00 74.01 H new ATOM 0 HG3 GLU A 15 11.209 -43.429 -10.579 1.00 74.01 H new ATOM 209 N TYR A 16 9.421 -41.410 -8.082 1.00 0.30 N ATOM 210 CA TYR A 16 8.316 -40.802 -7.350 1.00 4.32 C ATOM 211 C TYR A 16 7.646 -41.819 -6.432 1.00 75.10 C ATOM 212 O TYR A 16 8.059 -42.977 -6.363 1.00 43.12 O ATOM 213 CB TYR A 16 7.289 -40.222 -8.324 1.00 4.43 C ATOM 214 CG TYR A 16 7.027 -41.103 -9.524 1.00 24.33 C ATOM 215 CD1 TYR A 16 7.581 -40.806 -10.763 1.00 2.21 C ATOM 216 CD2 TYR A 16 6.226 -42.233 -9.419 1.00 33.12 C ATOM 217 CE1 TYR A 16 7.344 -41.608 -11.862 1.00 61.04 C ATOM 218 CE2 TYR A 16 5.984 -43.042 -10.512 1.00 44.24 C ATOM 219 CZ TYR A 16 6.546 -42.725 -11.732 1.00 34.10 C ATOM 220 OH TYR A 16 6.307 -43.527 -12.824 1.00 75.41 O ATOM 0 H TYR A 16 9.181 -42.276 -8.565 1.00 0.30 H new ATOM 0 HA TYR A 16 8.719 -39.997 -6.736 1.00 4.32 H new ATOM 0 HB2 TYR A 16 6.351 -40.056 -7.794 1.00 4.43 H new ATOM 0 HB3 TYR A 16 7.637 -39.248 -8.668 1.00 4.43 H new ATOM 0 HD1 TYR A 16 8.208 -39.933 -10.868 1.00 2.21 H new ATOM 0 HD2 TYR A 16 5.785 -42.483 -8.466 1.00 33.12 H new ATOM 0 HE1 TYR A 16 7.781 -41.362 -12.818 1.00 61.04 H new ATOM 0 HE2 TYR A 16 5.359 -43.917 -10.413 1.00 44.24 H new ATOM 0 HH TYR A 16 5.727 -44.272 -12.562 1.00 75.41 H new ATOM 230 N ILE A 17 6.608 -41.378 -5.729 1.00 75.25 N ATOM 231 CA ILE A 17 5.878 -42.250 -4.817 1.00 54.32 C ATOM 232 C ILE A 17 4.407 -42.348 -5.209 1.00 41.31 C ATOM 233 O ILE A 17 3.742 -41.334 -5.422 1.00 1.21 O ATOM 234 CB ILE A 17 5.978 -41.753 -3.363 1.00 13.21 C ATOM 235 CG1 ILE A 17 4.935 -42.453 -2.489 1.00 24.32 C ATOM 236 CG2 ILE A 17 5.797 -40.243 -3.305 1.00 60.33 C ATOM 237 CD1 ILE A 17 5.051 -42.111 -1.020 1.00 34.22 C ATOM 0 H ILE A 17 6.254 -40.422 -5.774 1.00 75.25 H new ATOM 0 HA ILE A 17 6.337 -43.236 -4.888 1.00 54.32 H new ATOM 0 HB ILE A 17 6.969 -41.996 -2.979 1.00 13.21 H new ATOM 0 HG12 ILE A 17 3.939 -42.183 -2.839 1.00 24.32 H new ATOM 0 HG13 ILE A 17 5.034 -43.531 -2.612 1.00 24.32 H new ATOM 0 HG21 ILE A 17 5.870 -39.907 -2.271 1.00 60.33 H new ATOM 0 HG22 ILE A 17 6.573 -39.760 -3.899 1.00 60.33 H new ATOM 0 HG23 ILE A 17 4.818 -39.978 -3.704 1.00 60.33 H new ATOM 0 HD11 ILE A 17 4.281 -42.642 -0.461 1.00 34.22 H new ATOM 0 HD12 ILE A 17 6.034 -42.407 -0.654 1.00 34.22 H new ATOM 0 HD13 ILE A 17 4.922 -41.037 -0.885 1.00 34.22 H new ATOM 249 N ARG A 18 3.905 -43.575 -5.301 1.00 4.12 N ATOM 250 CA ARG A 18 2.513 -43.806 -5.666 1.00 40.33 C ATOM 251 C ARG A 18 1.779 -44.559 -4.561 1.00 75.02 C ATOM 252 O ARG A 18 1.974 -45.761 -4.379 1.00 2.35 O ATOM 253 CB ARG A 18 2.431 -44.592 -6.976 1.00 31.21 C ATOM 254 CG ARG A 18 2.119 -43.728 -8.187 1.00 34.13 C ATOM 255 CD ARG A 18 1.194 -44.444 -9.159 1.00 22.53 C ATOM 256 NE ARG A 18 1.906 -44.921 -10.341 1.00 44.55 N ATOM 257 CZ ARG A 18 1.302 -45.278 -11.469 1.00 71.00 C ATOM 258 NH1 ARG A 18 -0.019 -45.213 -11.566 1.00 63.24 N ATOM 259 NH2 ARG A 18 2.019 -45.701 -12.502 1.00 51.14 N ATOM 0 H ARG A 18 4.442 -44.425 -5.128 1.00 4.12 H new ATOM 0 HA ARG A 18 2.033 -42.837 -5.801 1.00 40.33 H new ATOM 0 HB2 ARG A 18 3.378 -45.106 -7.141 1.00 31.21 H new ATOM 0 HB3 ARG A 18 1.664 -45.360 -6.881 1.00 31.21 H new ATOM 0 HG2 ARG A 18 1.656 -42.797 -7.861 1.00 34.13 H new ATOM 0 HG3 ARG A 18 3.046 -43.462 -8.694 1.00 34.13 H new ATOM 0 HD2 ARG A 18 0.722 -45.287 -8.655 1.00 22.53 H new ATOM 0 HD3 ARG A 18 0.396 -43.768 -9.465 1.00 22.53 H new ATOM 0 HE ARG A 18 2.923 -44.984 -10.298 1.00 44.55 H new ATOM 0 HH11 ARG A 18 -0.573 -44.888 -10.774 1.00 63.24 H new ATOM 0 HH12 ARG A 18 -0.481 -45.488 -12.433 1.00 63.24 H new ATOM 0 HH21 ARG A 18 3.035 -45.752 -12.431 1.00 51.14 H new ATOM 0 HH22 ARG A 18 1.554 -45.975 -13.368 1.00 51.14 H new ATOM 273 N VAL A 19 0.933 -43.844 -3.826 1.00 32.11 N ATOM 274 CA VAL A 19 0.168 -44.445 -2.739 1.00 45.41 C ATOM 275 C VAL A 19 -1.181 -43.755 -2.570 1.00 23.22 C ATOM 276 O VAL A 19 -1.312 -42.555 -2.810 1.00 52.51 O ATOM 277 CB VAL A 19 0.938 -44.376 -1.407 1.00 24.11 C ATOM 278 CG1 VAL A 19 2.056 -45.408 -1.382 1.00 52.20 C ATOM 279 CG2 VAL A 19 1.489 -42.976 -1.182 1.00 21.14 C ATOM 0 H VAL A 19 0.760 -42.848 -3.963 1.00 32.11 H new ATOM 0 HA VAL A 19 0.008 -45.490 -3.004 1.00 45.41 H new ATOM 0 HB VAL A 19 0.247 -44.604 -0.596 1.00 24.11 H new ATOM 0 HG11 VAL A 19 2.589 -45.344 -0.433 1.00 52.20 H new ATOM 0 HG12 VAL A 19 1.632 -46.406 -1.494 1.00 52.20 H new ATOM 0 HG13 VAL A 19 2.749 -45.214 -2.201 1.00 52.20 H new ATOM 0 HG21 VAL A 19 2.030 -42.946 -0.236 1.00 21.14 H new ATOM 0 HG22 VAL A 19 2.166 -42.716 -1.996 1.00 21.14 H new ATOM 0 HG23 VAL A 19 0.666 -42.262 -1.152 1.00 21.14 H new ATOM 289 N THR A 20 -2.183 -44.523 -2.153 1.00 53.35 N ATOM 290 CA THR A 20 -3.524 -43.987 -1.952 1.00 45.32 C ATOM 291 C THR A 20 -3.953 -44.114 -0.495 1.00 53.42 C ATOM 292 O THR A 20 -3.593 -45.073 0.186 1.00 40.11 O ATOM 293 CB THR A 20 -4.555 -44.703 -2.844 1.00 61.31 C ATOM 294 OG1 THR A 20 -5.880 -44.439 -2.370 1.00 51.12 O ATOM 295 CG2 THR A 20 -4.307 -46.204 -2.860 1.00 63.11 C ATOM 0 H THR A 20 -2.091 -45.518 -1.948 1.00 53.35 H new ATOM 0 HA THR A 20 -3.488 -42.933 -2.227 1.00 45.32 H new ATOM 0 HB THR A 20 -4.450 -44.322 -3.860 1.00 61.31 H new ATOM 0 HG1 THR A 20 -6.352 -45.286 -2.228 1.00 51.12 H new ATOM 0 HG21 THR A 20 -5.048 -46.688 -3.497 1.00 63.11 H new ATOM 0 HG22 THR A 20 -3.308 -46.404 -3.248 1.00 63.11 H new ATOM 0 HG23 THR A 20 -4.387 -46.597 -1.846 1.00 63.11 H new ATOM 303 N GLU A 21 -4.726 -43.140 -0.024 1.00 0.21 N ATOM 304 CA GLU A 21 -5.204 -43.144 1.354 1.00 73.14 C ATOM 305 C GLU A 21 -6.280 -44.208 1.553 1.00 62.33 C ATOM 306 O GLU A 21 -6.212 -45.007 2.487 1.00 71.31 O ATOM 307 CB GLU A 21 -5.757 -41.768 1.729 1.00 14.21 C ATOM 308 CG GLU A 21 -5.860 -41.541 3.228 1.00 31.41 C ATOM 309 CD GLU A 21 -7.275 -41.227 3.675 1.00 24.21 C ATOM 310 OE1 GLU A 21 -7.475 -40.170 4.309 1.00 24.04 O ATOM 311 OE2 GLU A 21 -8.181 -42.038 3.391 1.00 11.32 O ATOM 0 H GLU A 21 -5.034 -42.339 -0.576 1.00 0.21 H new ATOM 0 HA GLU A 21 -4.361 -43.378 2.004 1.00 73.14 H new ATOM 0 HB2 GLU A 21 -5.117 -40.999 1.297 1.00 14.21 H new ATOM 0 HB3 GLU A 21 -6.745 -41.649 1.283 1.00 14.21 H new ATOM 0 HG2 GLU A 21 -5.506 -42.429 3.751 1.00 31.41 H new ATOM 0 HG3 GLU A 21 -5.202 -40.720 3.513 1.00 31.41 H new ATOM 318 N ASP A 22 -7.271 -44.211 0.669 1.00 72.55 N ATOM 319 CA ASP A 22 -8.361 -45.177 0.746 1.00 54.13 C ATOM 320 C ASP A 22 -8.224 -46.240 -0.339 1.00 64.23 C ATOM 321 O ASP A 22 -7.748 -45.960 -1.439 1.00 51.30 O ATOM 322 CB ASP A 22 -9.710 -44.467 0.613 1.00 22.23 C ATOM 323 CG ASP A 22 -10.242 -43.982 1.947 1.00 34.44 C ATOM 324 OD1 ASP A 22 -10.533 -42.773 2.067 1.00 71.54 O ATOM 325 OD2 ASP A 22 -10.369 -44.812 2.872 1.00 53.11 O ATOM 0 H ASP A 22 -7.342 -43.556 -0.109 1.00 72.55 H new ATOM 0 HA ASP A 22 -8.310 -45.667 1.718 1.00 54.13 H new ATOM 0 HB2 ASP A 22 -9.606 -43.619 -0.064 1.00 22.23 H new ATOM 0 HB3 ASP A 22 -10.433 -45.147 0.162 1.00 22.23 H new ATOM 330 N GLU A 23 -8.642 -47.461 -0.021 1.00 22.31 N ATOM 331 CA GLU A 23 -8.563 -48.567 -0.969 1.00 4.53 C ATOM 332 C GLU A 23 -9.425 -48.292 -2.198 1.00 25.13 C ATOM 333 O GLU A 23 -9.081 -48.689 -3.311 1.00 13.45 O ATOM 334 CB GLU A 23 -9.005 -49.871 -0.303 1.00 30.30 C ATOM 335 CG GLU A 23 -10.465 -49.874 0.120 1.00 65.53 C ATOM 336 CD GLU A 23 -10.701 -50.661 1.394 1.00 20.23 C ATOM 337 OE1 GLU A 23 -11.446 -50.167 2.266 1.00 11.22 O ATOM 338 OE2 GLU A 23 -10.141 -51.770 1.520 1.00 34.31 O ATOM 0 H GLU A 23 -9.039 -47.710 0.885 1.00 22.31 H new ATOM 0 HA GLU A 23 -7.526 -48.665 -1.289 1.00 4.53 H new ATOM 0 HB2 GLU A 23 -8.834 -50.698 -0.992 1.00 30.30 H new ATOM 0 HB3 GLU A 23 -8.381 -50.052 0.573 1.00 30.30 H new ATOM 0 HG2 GLU A 23 -10.800 -48.847 0.265 1.00 65.53 H new ATOM 0 HG3 GLU A 23 -11.071 -50.297 -0.681 1.00 65.53 H new ATOM 345 N ASN A 24 -10.546 -47.611 -1.986 1.00 72.24 N ATOM 346 CA ASN A 24 -11.459 -47.284 -3.076 1.00 63.32 C ATOM 347 C ASN A 24 -10.884 -46.176 -3.953 1.00 1.10 C ATOM 348 O ASN A 24 -11.188 -46.091 -5.143 1.00 64.31 O ATOM 349 CB ASN A 24 -12.818 -46.857 -2.520 1.00 12.42 C ATOM 350 CG ASN A 24 -13.483 -47.953 -1.711 1.00 21.55 C ATOM 351 OD1 ASN A 24 -14.089 -48.870 -2.266 1.00 40.32 O ATOM 352 ND2 ASN A 24 -13.372 -47.864 -0.390 1.00 62.42 N ATOM 0 H ASN A 24 -10.844 -47.275 -1.070 1.00 72.24 H new ATOM 0 HA ASN A 24 -11.589 -48.177 -3.688 1.00 63.32 H new ATOM 0 HB2 ASN A 24 -12.690 -45.974 -1.894 1.00 12.42 H new ATOM 0 HB3 ASN A 24 -13.471 -46.571 -3.345 1.00 12.42 H new ATOM 0 HD21 ASN A 24 -13.798 -48.573 0.207 1.00 62.42 H new ATOM 0 HD22 ASN A 24 -12.860 -47.087 0.028 1.00 62.42 H new ATOM 359 N ASP A 25 -10.052 -45.329 -3.357 1.00 12.03 N ATOM 360 CA ASP A 25 -9.433 -44.226 -4.083 1.00 60.41 C ATOM 361 C ASP A 25 -8.290 -44.728 -4.960 1.00 51.45 C ATOM 362 O ASP A 25 -7.719 -45.787 -4.706 1.00 30.40 O ATOM 363 CB ASP A 25 -8.916 -43.170 -3.105 1.00 53.24 C ATOM 364 CG ASP A 25 -10.026 -42.289 -2.565 1.00 22.30 C ATOM 365 OD1 ASP A 25 -9.742 -41.450 -1.684 1.00 71.13 O ATOM 366 OD2 ASP A 25 -11.178 -42.439 -3.023 1.00 44.42 O ATOM 0 H ASP A 25 -9.791 -45.385 -2.373 1.00 12.03 H new ATOM 0 HA ASP A 25 -10.190 -43.775 -4.725 1.00 60.41 H new ATOM 0 HB2 ASP A 25 -8.411 -43.664 -2.275 1.00 53.24 H new ATOM 0 HB3 ASP A 25 -8.173 -42.548 -3.605 1.00 53.24 H new ATOM 371 N GLU A 26 -7.963 -43.959 -5.994 1.00 54.54 N ATOM 372 CA GLU A 26 -6.890 -44.326 -6.910 1.00 60.52 C ATOM 373 C GLU A 26 -5.528 -43.968 -6.324 1.00 4.42 C ATOM 374 O GLU A 26 -5.395 -43.054 -5.510 1.00 13.43 O ATOM 375 CB GLU A 26 -7.077 -43.627 -8.258 1.00 74.32 C ATOM 376 CG GLU A 26 -6.550 -42.202 -8.283 1.00 74.43 C ATOM 377 CD GLU A 26 -7.006 -41.433 -9.508 1.00 65.55 C ATOM 378 OE1 GLU A 26 -7.330 -40.236 -9.369 1.00 55.44 O ATOM 379 OE2 GLU A 26 -7.037 -42.029 -10.606 1.00 11.05 O ATOM 0 H GLU A 26 -8.426 -43.078 -6.218 1.00 54.54 H new ATOM 0 HA GLU A 26 -6.930 -45.405 -7.060 1.00 60.52 H new ATOM 0 HB2 GLU A 26 -6.572 -44.206 -9.031 1.00 74.32 H new ATOM 0 HB3 GLU A 26 -8.138 -43.618 -8.509 1.00 74.32 H new ATOM 0 HG2 GLU A 26 -6.883 -41.680 -7.386 1.00 74.43 H new ATOM 0 HG3 GLU A 26 -5.461 -42.221 -8.255 1.00 74.43 H new ATOM 386 N PRO A 27 -4.489 -44.704 -6.746 1.00 74.43 N ATOM 387 CA PRO A 27 -3.119 -44.483 -6.277 1.00 24.35 C ATOM 388 C PRO A 27 -2.530 -43.177 -6.799 1.00 73.12 C ATOM 389 O PRO A 27 -2.051 -43.111 -7.932 1.00 10.25 O ATOM 390 CB PRO A 27 -2.352 -45.680 -6.844 1.00 64.23 C ATOM 391 CG PRO A 27 -3.134 -46.099 -8.041 1.00 15.24 C ATOM 392 CD PRO A 27 -4.574 -45.810 -7.715 1.00 41.14 C ATOM 0 HA PRO A 27 -3.069 -44.403 -5.191 1.00 24.35 H new ATOM 0 HB2 PRO A 27 -1.332 -45.405 -7.114 1.00 64.23 H new ATOM 0 HB3 PRO A 27 -2.282 -46.487 -6.115 1.00 64.23 H new ATOM 0 HG2 PRO A 27 -2.816 -45.549 -8.927 1.00 15.24 H new ATOM 0 HG3 PRO A 27 -2.986 -47.158 -8.253 1.00 15.24 H new ATOM 0 HD2 PRO A 27 -5.137 -45.524 -8.603 1.00 41.14 H new ATOM 0 HD3 PRO A 27 -5.072 -46.681 -7.288 1.00 41.14 H new ATOM 400 N ILE A 28 -2.570 -42.141 -5.968 1.00 23.41 N ATOM 401 CA ILE A 28 -2.039 -40.838 -6.347 1.00 2.23 C ATOM 402 C ILE A 28 -0.515 -40.856 -6.389 1.00 64.45 C ATOM 403 O ILE A 28 0.131 -41.503 -5.565 1.00 51.50 O ATOM 404 CB ILE A 28 -2.500 -39.737 -5.373 1.00 75.41 C ATOM 405 CG1 ILE A 28 -1.833 -38.405 -5.721 1.00 22.41 C ATOM 406 CG2 ILE A 28 -2.187 -40.134 -3.938 1.00 73.31 C ATOM 407 CD1 ILE A 28 -0.581 -38.129 -4.918 1.00 12.12 C ATOM 0 H ILE A 28 -2.965 -42.179 -5.028 1.00 23.41 H new ATOM 0 HA ILE A 28 -2.426 -40.618 -7.342 1.00 2.23 H new ATOM 0 HB ILE A 28 -3.579 -39.617 -5.469 1.00 75.41 H new ATOM 0 HG12 ILE A 28 -1.583 -38.399 -6.782 1.00 22.41 H new ATOM 0 HG13 ILE A 28 -2.546 -37.597 -5.557 1.00 22.41 H new ATOM 0 HG21 ILE A 28 -2.519 -39.346 -3.262 1.00 73.31 H new ATOM 0 HG22 ILE A 28 -2.705 -41.062 -3.696 1.00 73.31 H new ATOM 0 HG23 ILE A 28 -1.112 -40.279 -3.827 1.00 73.31 H new ATOM 0 HD11 ILE A 28 -0.161 -37.169 -5.217 1.00 12.12 H new ATOM 0 HD12 ILE A 28 -0.828 -38.102 -3.857 1.00 12.12 H new ATOM 0 HD13 ILE A 28 0.150 -38.917 -5.101 1.00 12.12 H new ATOM 419 N GLU A 29 0.054 -40.141 -7.355 1.00 74.35 N ATOM 420 CA GLU A 29 1.503 -40.075 -7.505 1.00 34.35 C ATOM 421 C GLU A 29 2.022 -38.683 -7.158 1.00 43.01 C ATOM 422 O GLU A 29 1.506 -37.677 -7.646 1.00 63.24 O ATOM 423 CB GLU A 29 1.908 -40.442 -8.934 1.00 12.22 C ATOM 424 CG GLU A 29 1.518 -39.395 -9.964 1.00 63.22 C ATOM 425 CD GLU A 29 2.679 -38.502 -10.356 1.00 64.22 C ATOM 426 OE1 GLU A 29 2.574 -37.273 -10.160 1.00 23.22 O ATOM 427 OE2 GLU A 29 3.692 -39.031 -10.859 1.00 62.43 O ATOM 0 H GLU A 29 -0.467 -39.600 -8.045 1.00 74.35 H new ATOM 0 HA GLU A 29 1.947 -40.792 -6.815 1.00 34.35 H new ATOM 0 HB2 GLU A 29 2.987 -40.591 -8.970 1.00 12.22 H new ATOM 0 HB3 GLU A 29 1.446 -41.392 -9.201 1.00 12.22 H new ATOM 0 HG2 GLU A 29 1.130 -39.892 -10.853 1.00 63.22 H new ATOM 0 HG3 GLU A 29 0.711 -38.781 -9.565 1.00 63.22 H new ATOM 434 N ILE A 30 3.046 -38.634 -6.312 1.00 51.42 N ATOM 435 CA ILE A 30 3.636 -37.366 -5.901 1.00 14.33 C ATOM 436 C ILE A 30 5.147 -37.371 -6.103 1.00 60.12 C ATOM 437 O ILE A 30 5.797 -38.417 -6.087 1.00 11.35 O ATOM 438 CB ILE A 30 3.328 -37.055 -4.424 1.00 50.41 C ATOM 439 CG1 ILE A 30 2.988 -38.341 -3.669 1.00 61.42 C ATOM 440 CG2 ILE A 30 2.185 -36.056 -4.320 1.00 42.33 C ATOM 441 CD1 ILE A 30 3.274 -38.265 -2.186 1.00 31.12 C ATOM 0 H ILE A 30 3.484 -39.457 -5.898 1.00 51.42 H new ATOM 0 HA ILE A 30 3.191 -36.593 -6.528 1.00 14.33 H new ATOM 0 HB ILE A 30 4.214 -36.613 -3.969 1.00 50.41 H new ATOM 0 HG12 ILE A 30 1.933 -38.571 -3.816 1.00 61.42 H new ATOM 0 HG13 ILE A 30 3.556 -39.166 -4.099 1.00 61.42 H new ATOM 0 HG21 ILE A 30 1.979 -35.846 -3.270 1.00 42.33 H new ATOM 0 HG22 ILE A 30 2.462 -35.132 -4.827 1.00 42.33 H new ATOM 0 HG23 ILE A 30 1.293 -36.473 -4.788 1.00 42.33 H new ATOM 0 HD11 ILE A 30 3.009 -39.212 -1.715 1.00 31.12 H new ATOM 0 HD12 ILE A 30 4.334 -38.066 -2.030 1.00 31.12 H new ATOM 0 HD13 ILE A 30 2.685 -37.462 -1.743 1.00 31.12 H new ATOM 453 N PRO A 31 5.722 -36.175 -6.298 1.00 22.14 N ATOM 454 CA PRO A 31 7.165 -36.015 -6.505 1.00 15.54 C ATOM 455 C PRO A 31 7.967 -36.305 -5.241 1.00 43.31 C ATOM 456 O PRO A 31 7.676 -35.768 -4.172 1.00 42.23 O ATOM 457 CB PRO A 31 7.304 -34.543 -6.901 1.00 3.42 C ATOM 458 CG PRO A 31 6.119 -33.873 -6.296 1.00 73.31 C ATOM 459 CD PRO A 31 5.009 -34.887 -6.330 1.00 32.32 C ATOM 0 HA PRO A 31 7.550 -36.710 -7.251 1.00 15.54 H new ATOM 0 HB2 PRO A 31 8.234 -34.118 -6.524 1.00 3.42 H new ATOM 0 HB3 PRO A 31 7.315 -34.424 -7.984 1.00 3.42 H new ATOM 0 HG2 PRO A 31 6.328 -33.558 -5.274 1.00 73.31 H new ATOM 0 HG3 PRO A 31 5.848 -32.978 -6.857 1.00 73.31 H new ATOM 0 HD2 PRO A 31 4.339 -34.778 -5.478 1.00 32.32 H new ATOM 0 HD3 PRO A 31 4.401 -34.787 -7.229 1.00 32.32 H new ATOM 467 N SER A 32 8.979 -37.157 -5.371 1.00 2.30 N ATOM 468 CA SER A 32 9.822 -37.521 -4.238 1.00 42.32 C ATOM 469 C SER A 32 11.237 -36.977 -4.417 1.00 74.40 C ATOM 470 O SER A 32 11.683 -36.737 -5.538 1.00 52.22 O ATOM 471 CB SER A 32 9.865 -39.041 -4.075 1.00 33.24 C ATOM 472 OG SER A 32 11.034 -39.585 -4.662 1.00 1.10 O ATOM 0 H SER A 32 9.235 -37.608 -6.249 1.00 2.30 H new ATOM 0 HA SER A 32 9.392 -37.078 -3.340 1.00 42.32 H new ATOM 0 HB2 SER A 32 9.833 -39.297 -3.016 1.00 33.24 H new ATOM 0 HB3 SER A 32 8.983 -39.484 -4.537 1.00 33.24 H new ATOM 0 HG SER A 32 10.919 -39.636 -5.634 1.00 1.10 H new ATOM 478 N GLU A 33 11.936 -36.787 -3.303 1.00 10.24 N ATOM 479 CA GLU A 33 13.299 -36.271 -3.336 1.00 25.10 C ATOM 480 C GLU A 33 14.193 -37.151 -4.206 1.00 12.11 C ATOM 481 O GLU A 33 13.781 -38.221 -4.654 1.00 21.23 O ATOM 482 CB GLU A 33 13.872 -36.187 -1.919 1.00 74.43 C ATOM 483 CG GLU A 33 13.444 -34.941 -1.163 1.00 1.01 C ATOM 484 CD GLU A 33 14.572 -34.337 -0.349 1.00 32.12 C ATOM 485 OE1 GLU A 33 14.435 -34.265 0.891 1.00 64.23 O ATOM 486 OE2 GLU A 33 15.590 -33.936 -0.950 1.00 71.23 O ATOM 0 H GLU A 33 11.581 -36.983 -2.367 1.00 10.24 H new ATOM 0 HA GLU A 33 13.271 -35.271 -3.768 1.00 25.10 H new ATOM 0 HB2 GLU A 33 13.560 -37.068 -1.357 1.00 74.43 H new ATOM 0 HB3 GLU A 33 14.960 -36.213 -1.974 1.00 74.43 H new ATOM 0 HG2 GLU A 33 13.075 -34.200 -1.871 1.00 1.01 H new ATOM 0 HG3 GLU A 33 12.615 -35.189 -0.500 1.00 1.01 H new ATOM 493 N ASP A 34 15.417 -36.691 -4.441 1.00 73.21 N ATOM 494 CA ASP A 34 16.369 -37.435 -5.257 1.00 23.52 C ATOM 495 C ASP A 34 16.885 -38.660 -4.508 1.00 64.30 C ATOM 496 O ASP A 34 17.128 -39.709 -5.106 1.00 4.32 O ATOM 497 CB ASP A 34 17.540 -36.537 -5.659 1.00 22.23 C ATOM 498 CG ASP A 34 18.019 -36.808 -7.071 1.00 64.23 C ATOM 499 OD1 ASP A 34 18.559 -37.908 -7.314 1.00 62.04 O ATOM 500 OD2 ASP A 34 17.854 -35.921 -7.934 1.00 12.20 O ATOM 0 H ASP A 34 15.773 -35.807 -4.078 1.00 73.21 H new ATOM 0 HA ASP A 34 15.854 -37.771 -6.157 1.00 23.52 H new ATOM 0 HB2 ASP A 34 17.239 -35.493 -5.575 1.00 22.23 H new ATOM 0 HB3 ASP A 34 18.365 -36.688 -4.963 1.00 22.23 H new ATOM 505 N ASP A 35 17.051 -38.520 -3.198 1.00 4.44 N ATOM 506 CA ASP A 35 17.539 -39.614 -2.367 1.00 32.43 C ATOM 507 C ASP A 35 16.567 -40.790 -2.392 1.00 12.14 C ATOM 508 O ASP A 35 16.937 -41.921 -2.081 1.00 31.30 O ATOM 509 CB ASP A 35 17.746 -39.138 -0.928 1.00 73.10 C ATOM 510 CG ASP A 35 18.869 -38.126 -0.809 1.00 35.40 C ATOM 511 OD1 ASP A 35 18.789 -37.253 0.080 1.00 32.04 O ATOM 512 OD2 ASP A 35 19.827 -38.209 -1.604 1.00 44.45 O ATOM 0 H ASP A 35 16.855 -37.659 -2.688 1.00 4.44 H new ATOM 0 HA ASP A 35 18.495 -39.946 -2.772 1.00 32.43 H new ATOM 0 HB2 ASP A 35 16.821 -38.695 -0.558 1.00 73.10 H new ATOM 0 HB3 ASP A 35 17.965 -39.996 -0.292 1.00 73.10 H new ATOM 517 N GLY A 36 15.320 -40.513 -2.763 1.00 24.12 N ATOM 518 CA GLY A 36 14.314 -41.557 -2.820 1.00 62.21 C ATOM 519 C GLY A 36 13.171 -41.315 -1.854 1.00 43.23 C ATOM 520 O GLY A 36 12.035 -41.714 -2.111 1.00 60.03 O ATOM 0 H GLY A 36 14.989 -39.584 -3.025 1.00 24.12 H new ATOM 0 HA2 GLY A 36 13.920 -41.623 -3.834 1.00 62.21 H new ATOM 0 HA3 GLY A 36 14.778 -42.517 -2.595 1.00 62.21 H new ATOM 524 N THR A 37 13.471 -40.659 -0.737 1.00 64.42 N ATOM 525 CA THR A 37 12.462 -40.367 0.272 1.00 14.21 C ATOM 526 C THR A 37 11.461 -39.334 -0.234 1.00 62.13 C ATOM 527 O THR A 37 11.466 -38.976 -1.412 1.00 42.50 O ATOM 528 CB THR A 37 13.102 -39.849 1.574 1.00 71.30 C ATOM 529 OG1 THR A 37 13.683 -38.559 1.355 1.00 52.10 O ATOM 530 CG2 THR A 37 14.168 -40.813 2.073 1.00 50.10 C ATOM 0 H THR A 37 14.406 -40.320 -0.509 1.00 64.42 H new ATOM 0 HA THR A 37 11.942 -41.303 0.478 1.00 14.21 H new ATOM 0 HB THR A 37 12.322 -39.771 2.331 1.00 71.30 H new ATOM 0 HG1 THR A 37 14.537 -38.500 1.832 1.00 52.10 H new ATOM 0 HG21 THR A 37 14.606 -40.427 2.993 1.00 50.10 H new ATOM 0 HG22 THR A 37 13.717 -41.786 2.267 1.00 50.10 H new ATOM 0 HG23 THR A 37 14.946 -40.918 1.317 1.00 50.10 H new ATOM 538 N VAL A 38 10.604 -38.858 0.663 1.00 74.11 N ATOM 539 CA VAL A 38 9.598 -37.864 0.307 1.00 32.40 C ATOM 540 C VAL A 38 9.520 -36.761 1.356 1.00 31.23 C ATOM 541 O VAL A 38 9.622 -37.022 2.556 1.00 42.31 O ATOM 542 CB VAL A 38 8.207 -38.506 0.148 1.00 14.11 C ATOM 543 CG1 VAL A 38 7.140 -37.434 -0.015 1.00 34.04 C ATOM 544 CG2 VAL A 38 8.194 -39.465 -1.032 1.00 65.43 C ATOM 0 H VAL A 38 10.586 -39.144 1.642 1.00 74.11 H new ATOM 0 HA VAL A 38 9.902 -37.433 -0.647 1.00 32.40 H new ATOM 0 HB VAL A 38 7.983 -39.074 1.051 1.00 14.11 H new ATOM 0 HG11 VAL A 38 6.164 -37.906 -0.126 1.00 34.04 H new ATOM 0 HG12 VAL A 38 7.134 -36.790 0.865 1.00 34.04 H new ATOM 0 HG13 VAL A 38 7.357 -36.836 -0.900 1.00 34.04 H new ATOM 0 HG21 VAL A 38 7.203 -39.909 -1.129 1.00 65.43 H new ATOM 0 HG22 VAL A 38 8.439 -38.922 -1.945 1.00 65.43 H new ATOM 0 HG23 VAL A 38 8.930 -40.252 -0.869 1.00 65.43 H new ATOM 554 N LEU A 39 9.338 -35.528 0.898 1.00 54.14 N ATOM 555 CA LEU A 39 9.245 -34.383 1.797 1.00 50.02 C ATOM 556 C LEU A 39 7.879 -34.331 2.473 1.00 54.42 C ATOM 557 O LEU A 39 6.843 -34.432 1.813 1.00 23.22 O ATOM 558 CB LEU A 39 9.497 -33.084 1.029 1.00 74.45 C ATOM 559 CG LEU A 39 10.346 -32.034 1.745 1.00 31.24 C ATOM 560 CD1 LEU A 39 11.726 -32.589 2.062 1.00 61.14 C ATOM 561 CD2 LEU A 39 10.457 -30.772 0.903 1.00 72.04 C ATOM 0 H LEU A 39 9.252 -35.295 -0.091 1.00 54.14 H new ATOM 0 HA LEU A 39 10.007 -34.495 2.568 1.00 50.02 H new ATOM 0 HB2 LEU A 39 9.982 -33.332 0.085 1.00 74.45 H new ATOM 0 HB3 LEU A 39 8.533 -32.637 0.784 1.00 74.45 H new ATOM 0 HG LEU A 39 9.856 -31.777 2.684 1.00 31.24 H new ATOM 0 HD11 LEU A 39 12.316 -31.827 2.572 1.00 61.14 H new ATOM 0 HD12 LEU A 39 11.628 -33.463 2.706 1.00 61.14 H new ATOM 0 HD13 LEU A 39 12.225 -32.875 1.136 1.00 61.14 H new ATOM 0 HD21 LEU A 39 11.065 -30.036 1.429 1.00 72.04 H new ATOM 0 HD22 LEU A 39 10.924 -31.012 -0.052 1.00 72.04 H new ATOM 0 HD23 LEU A 39 9.462 -30.363 0.728 1.00 72.04 H new ATOM 573 N LEU A 40 7.883 -34.170 3.791 1.00 14.44 N ATOM 574 CA LEU A 40 6.643 -34.101 4.558 1.00 61.14 C ATOM 575 C LEU A 40 5.678 -33.092 3.944 1.00 45.44 C ATOM 576 O LEU A 40 4.481 -33.353 3.829 1.00 10.41 O ATOM 577 CB LEU A 40 6.939 -33.723 6.010 1.00 35.11 C ATOM 578 CG LEU A 40 6.031 -34.355 7.066 1.00 21.31 C ATOM 579 CD1 LEU A 40 6.324 -33.772 8.440 1.00 71.22 C ATOM 580 CD2 LEU A 40 4.568 -34.155 6.701 1.00 55.14 C ATOM 0 H LEU A 40 8.731 -34.085 4.352 1.00 14.44 H new ATOM 0 HA LEU A 40 6.174 -35.085 4.534 1.00 61.14 H new ATOM 0 HB2 LEU A 40 7.970 -33.999 6.234 1.00 35.11 H new ATOM 0 HB3 LEU A 40 6.872 -32.639 6.103 1.00 35.11 H new ATOM 0 HG LEU A 40 6.233 -35.426 7.097 1.00 21.31 H new ATOM 0 HD11 LEU A 40 5.668 -34.234 9.178 1.00 71.22 H new ATOM 0 HD12 LEU A 40 7.363 -33.968 8.704 1.00 71.22 H new ATOM 0 HD13 LEU A 40 6.151 -32.696 8.423 1.00 71.22 H new ATOM 0 HD21 LEU A 40 3.937 -34.611 7.464 1.00 55.14 H new ATOM 0 HD22 LEU A 40 4.351 -33.089 6.640 1.00 55.14 H new ATOM 0 HD23 LEU A 40 4.366 -34.622 5.737 1.00 55.14 H new ATOM 592 N SER A 41 6.209 -31.939 3.548 1.00 10.22 N ATOM 593 CA SER A 41 5.395 -30.889 2.947 1.00 72.01 C ATOM 594 C SER A 41 4.553 -31.443 1.801 1.00 21.45 C ATOM 595 O SER A 41 3.427 -31.002 1.572 1.00 53.51 O ATOM 596 CB SER A 41 6.284 -29.753 2.438 1.00 63.11 C ATOM 597 OG SER A 41 6.384 -28.714 3.397 1.00 72.52 O ATOM 0 H SER A 41 7.199 -31.709 3.633 1.00 10.22 H new ATOM 0 HA SER A 41 4.724 -30.500 3.713 1.00 72.01 H new ATOM 0 HB2 SER A 41 7.278 -30.139 2.210 1.00 63.11 H new ATOM 0 HB3 SER A 41 5.876 -29.356 1.509 1.00 63.11 H new ATOM 0 HG SER A 41 6.959 -28.001 3.048 1.00 72.52 H new ATOM 603 N THR A 42 5.108 -32.415 1.084 1.00 21.40 N ATOM 604 CA THR A 42 4.411 -33.030 -0.038 1.00 71.43 C ATOM 605 C THR A 42 3.295 -33.950 0.445 1.00 42.04 C ATOM 606 O THR A 42 2.177 -33.909 -0.069 1.00 0.33 O ATOM 607 CB THR A 42 5.377 -33.837 -0.926 1.00 43.01 C ATOM 608 OG1 THR A 42 6.501 -33.027 -1.289 1.00 52.33 O ATOM 609 CG2 THR A 42 4.674 -34.330 -2.182 1.00 25.52 C ATOM 0 H THR A 42 6.039 -32.793 1.261 1.00 21.40 H new ATOM 0 HA THR A 42 3.981 -32.219 -0.625 1.00 71.43 H new ATOM 0 HB THR A 42 5.721 -34.702 -0.358 1.00 43.01 H new ATOM 0 HG1 THR A 42 7.111 -33.548 -1.852 1.00 52.33 H new ATOM 0 HG21 THR A 42 5.376 -34.897 -2.793 1.00 25.52 H new ATOM 0 HG22 THR A 42 3.837 -34.970 -1.903 1.00 25.52 H new ATOM 0 HG23 THR A 42 4.305 -33.477 -2.751 1.00 25.52 H new ATOM 617 N VAL A 43 3.606 -34.780 1.436 1.00 52.33 N ATOM 618 CA VAL A 43 2.628 -35.709 1.990 1.00 42.24 C ATOM 619 C VAL A 43 1.346 -34.986 2.386 1.00 10.42 C ATOM 620 O VAL A 43 0.248 -35.528 2.256 1.00 11.23 O ATOM 621 CB VAL A 43 3.190 -36.447 3.219 1.00 35.13 C ATOM 622 CG1 VAL A 43 2.060 -36.903 4.130 1.00 31.41 C ATOM 623 CG2 VAL A 43 4.046 -37.627 2.786 1.00 22.25 C ATOM 0 H VAL A 43 4.527 -34.828 1.871 1.00 52.33 H new ATOM 0 HA VAL A 43 2.404 -36.436 1.210 1.00 42.24 H new ATOM 0 HB VAL A 43 3.821 -35.757 3.779 1.00 35.13 H new ATOM 0 HG11 VAL A 43 2.476 -37.423 4.993 1.00 31.41 H new ATOM 0 HG12 VAL A 43 1.492 -36.036 4.467 1.00 31.41 H new ATOM 0 HG13 VAL A 43 1.401 -37.578 3.583 1.00 31.41 H new ATOM 0 HG21 VAL A 43 4.435 -38.137 3.667 1.00 22.25 H new ATOM 0 HG22 VAL A 43 3.441 -38.321 2.203 1.00 22.25 H new ATOM 0 HG23 VAL A 43 4.877 -37.270 2.177 1.00 22.25 H new ATOM 633 N THR A 44 1.492 -33.756 2.871 1.00 70.22 N ATOM 634 CA THR A 44 0.346 -32.958 3.287 1.00 1.23 C ATOM 635 C THR A 44 -0.448 -32.466 2.083 1.00 51.41 C ATOM 636 O THR A 44 -1.650 -32.221 2.178 1.00 13.23 O ATOM 637 CB THR A 44 0.783 -31.745 4.130 1.00 2.22 C ATOM 638 OG1 THR A 44 1.502 -30.814 3.313 1.00 20.13 O ATOM 639 CG2 THR A 44 1.656 -32.183 5.297 1.00 53.31 C ATOM 0 H THR A 44 2.393 -33.292 2.985 1.00 70.22 H new ATOM 0 HA THR A 44 -0.286 -33.605 3.895 1.00 1.23 H new ATOM 0 HB THR A 44 -0.112 -31.265 4.526 1.00 2.22 H new ATOM 0 HG1 THR A 44 2.260 -31.268 2.890 1.00 20.13 H new ATOM 0 HG21 THR A 44 1.952 -31.309 5.878 1.00 53.31 H new ATOM 0 HG22 THR A 44 1.096 -32.869 5.933 1.00 53.31 H new ATOM 0 HG23 THR A 44 2.546 -32.685 4.917 1.00 53.31 H new ATOM 647 N ALA A 45 0.232 -32.323 0.950 1.00 74.42 N ATOM 648 CA ALA A 45 -0.412 -31.863 -0.274 1.00 41.14 C ATOM 649 C ALA A 45 -1.705 -32.628 -0.536 1.00 10.41 C ATOM 650 O ALA A 45 -2.746 -32.029 -0.807 1.00 64.44 O ATOM 651 CB ALA A 45 0.537 -32.007 -1.455 1.00 54.44 C ATOM 0 H ALA A 45 1.228 -32.519 0.855 1.00 74.42 H new ATOM 0 HA ALA A 45 -0.663 -30.810 -0.149 1.00 41.14 H new ATOM 0 HB1 ALA A 45 0.043 -31.660 -2.363 1.00 54.44 H new ATOM 0 HB2 ALA A 45 1.432 -31.410 -1.278 1.00 54.44 H new ATOM 0 HB3 ALA A 45 0.816 -33.054 -1.572 1.00 54.44 H new ATOM 657 N GLN A 46 -1.631 -33.952 -0.453 1.00 30.11 N ATOM 658 CA GLN A 46 -2.797 -34.798 -0.682 1.00 45.33 C ATOM 659 C GLN A 46 -3.312 -35.382 0.629 1.00 64.22 C ATOM 660 O GLN A 46 -4.515 -35.573 0.805 1.00 11.22 O ATOM 661 CB GLN A 46 -2.451 -35.925 -1.656 1.00 60.34 C ATOM 662 CG GLN A 46 -1.272 -35.607 -2.562 1.00 54.02 C ATOM 663 CD GLN A 46 0.046 -36.101 -2.000 1.00 71.53 C ATOM 664 OE1 GLN A 46 0.973 -35.321 -1.784 1.00 65.10 O ATOM 665 NE2 GLN A 46 0.136 -37.404 -1.760 1.00 71.42 N ATOM 0 H GLN A 46 -0.777 -34.462 -0.229 1.00 30.11 H new ATOM 0 HA GLN A 46 -3.583 -34.181 -1.116 1.00 45.33 H new ATOM 0 HB2 GLN A 46 -2.229 -36.829 -1.089 1.00 60.34 H new ATOM 0 HB3 GLN A 46 -3.324 -36.142 -2.272 1.00 60.34 H new ATOM 0 HG2 GLN A 46 -1.438 -36.059 -3.540 1.00 54.02 H new ATOM 0 HG3 GLN A 46 -1.216 -34.529 -2.715 1.00 54.02 H new ATOM 0 HE21 GLN A 46 -0.658 -38.014 -1.954 1.00 71.42 H new ATOM 0 HE22 GLN A 46 0.999 -37.794 -1.382 1.00 71.42 H new ATOM 674 N PHE A 47 -2.393 -35.665 1.546 1.00 24.40 N ATOM 675 CA PHE A 47 -2.754 -36.230 2.841 1.00 2.12 C ATOM 676 C PHE A 47 -2.483 -35.233 3.964 1.00 42.42 C ATOM 677 O PHE A 47 -1.508 -35.346 4.707 1.00 32.15 O ATOM 678 CB PHE A 47 -1.975 -37.523 3.093 1.00 2.51 C ATOM 679 CG PHE A 47 -1.713 -38.317 1.846 1.00 62.23 C ATOM 680 CD1 PHE A 47 -0.440 -38.784 1.560 1.00 2.32 C ATOM 681 CD2 PHE A 47 -2.740 -38.597 0.959 1.00 64.35 C ATOM 682 CE1 PHE A 47 -0.195 -39.516 0.413 1.00 14.34 C ATOM 683 CE2 PHE A 47 -2.501 -39.329 -0.189 1.00 73.05 C ATOM 684 CZ PHE A 47 -1.227 -39.788 -0.463 1.00 54.30 C ATOM 0 H PHE A 47 -1.393 -35.512 1.416 1.00 24.40 H new ATOM 0 HA PHE A 47 -3.821 -36.454 2.827 1.00 2.12 H new ATOM 0 HB2 PHE A 47 -1.023 -37.278 3.565 1.00 2.51 H new ATOM 0 HB3 PHE A 47 -2.531 -38.141 3.798 1.00 2.51 H new ATOM 0 HD1 PHE A 47 0.371 -38.574 2.242 1.00 2.32 H new ATOM 0 HD2 PHE A 47 -3.738 -38.240 1.167 1.00 64.35 H new ATOM 0 HE1 PHE A 47 0.802 -39.874 0.203 1.00 14.34 H new ATOM 0 HE2 PHE A 47 -3.310 -39.542 -0.872 1.00 73.05 H new ATOM 0 HZ PHE A 47 -1.039 -40.358 -1.361 1.00 54.30 H new ATOM 694 N PRO A 48 -3.365 -34.230 4.090 1.00 72.31 N ATOM 695 CA PRO A 48 -3.243 -33.193 5.119 1.00 74.14 C ATOM 696 C PRO A 48 -3.507 -33.733 6.520 1.00 15.31 C ATOM 697 O PRO A 48 -4.525 -34.380 6.765 1.00 3.33 O ATOM 698 CB PRO A 48 -4.318 -32.176 4.726 1.00 61.11 C ATOM 699 CG PRO A 48 -5.324 -32.964 3.960 1.00 22.43 C ATOM 700 CD PRO A 48 -4.550 -34.033 3.238 1.00 13.14 C ATOM 0 HA PRO A 48 -2.237 -32.776 5.161 1.00 74.14 H new ATOM 0 HB2 PRO A 48 -4.765 -31.712 5.606 1.00 61.11 H new ATOM 0 HB3 PRO A 48 -3.900 -31.372 4.120 1.00 61.11 H new ATOM 0 HG2 PRO A 48 -6.066 -33.403 4.627 1.00 22.43 H new ATOM 0 HG3 PRO A 48 -5.863 -32.330 3.256 1.00 22.43 H new ATOM 0 HD2 PRO A 48 -5.130 -34.951 3.138 1.00 13.14 H new ATOM 0 HD3 PRO A 48 -4.274 -33.719 2.232 1.00 13.14 H new ATOM 708 N GLY A 49 -2.584 -33.462 7.438 1.00 51.53 N ATOM 709 CA GLY A 49 -2.736 -33.927 8.804 1.00 75.23 C ATOM 710 C GLY A 49 -2.086 -35.277 9.032 1.00 72.31 C ATOM 711 O GLY A 49 -1.677 -35.596 10.148 1.00 51.11 O ATOM 0 H GLY A 49 -1.733 -32.928 7.260 1.00 51.53 H new ATOM 0 HA2 GLY A 49 -2.298 -33.197 9.484 1.00 75.23 H new ATOM 0 HA3 GLY A 49 -3.797 -33.992 9.047 1.00 75.23 H new ATOM 715 N ALA A 50 -1.992 -36.074 7.972 1.00 1.41 N ATOM 716 CA ALA A 50 -1.387 -37.397 8.062 1.00 3.42 C ATOM 717 C ALA A 50 0.010 -37.321 8.670 1.00 34.35 C ATOM 718 O ALA A 50 0.924 -36.747 8.079 1.00 4.41 O ATOM 719 CB ALA A 50 -1.331 -38.046 6.687 1.00 33.34 C ATOM 0 H ALA A 50 -2.327 -35.826 7.041 1.00 1.41 H new ATOM 0 HA ALA A 50 -2.007 -38.010 8.716 1.00 3.42 H new ATOM 0 HB1 ALA A 50 -0.877 -39.033 6.769 1.00 33.34 H new ATOM 0 HB2 ALA A 50 -2.341 -38.143 6.289 1.00 33.34 H new ATOM 0 HB3 ALA A 50 -0.735 -37.427 6.017 1.00 33.34 H new ATOM 725 N CYS A 51 0.166 -37.904 9.854 1.00 43.21 N ATOM 726 CA CYS A 51 1.452 -37.901 10.543 1.00 32.12 C ATOM 727 C CYS A 51 2.306 -39.086 10.105 1.00 43.13 C ATOM 728 O CYS A 51 3.528 -38.980 10.003 1.00 13.22 O ATOM 729 CB CYS A 51 1.242 -37.941 12.058 1.00 40.24 C ATOM 730 SG CYS A 51 1.997 -36.557 12.944 1.00 74.12 S ATOM 0 H CYS A 51 -0.581 -38.384 10.356 1.00 43.21 H new ATOM 0 HA CYS A 51 1.975 -36.982 10.280 1.00 32.12 H new ATOM 0 HB2 CYS A 51 0.172 -37.951 12.266 1.00 40.24 H new ATOM 0 HB3 CYS A 51 1.651 -38.874 12.446 1.00 40.24 H new ATOM 0 HG CYS A 51 1.763 -36.678 14.217 1.00 74.12 H new ATOM 736 N GLY A 52 1.655 -40.216 9.847 1.00 34.12 N ATOM 737 CA GLY A 52 2.371 -41.405 9.425 1.00 74.54 C ATOM 738 C GLY A 52 1.593 -42.220 8.410 1.00 64.22 C ATOM 739 O GLY A 52 0.362 -42.254 8.441 1.00 25.34 O ATOM 0 H GLY A 52 0.644 -40.329 9.923 1.00 34.12 H new ATOM 0 HA2 GLY A 52 3.330 -41.115 8.995 1.00 74.54 H new ATOM 0 HA3 GLY A 52 2.586 -42.024 10.296 1.00 74.54 H new ATOM 743 N LEU A 53 2.312 -42.877 7.506 1.00 53.13 N ATOM 744 CA LEU A 53 1.682 -43.695 6.475 1.00 54.41 C ATOM 745 C LEU A 53 2.036 -45.167 6.655 1.00 24.14 C ATOM 746 O LEU A 53 3.161 -45.504 7.027 1.00 13.23 O ATOM 747 CB LEU A 53 2.113 -43.221 5.086 1.00 50.11 C ATOM 748 CG LEU A 53 2.086 -41.710 4.854 1.00 52.23 C ATOM 749 CD1 LEU A 53 0.882 -41.085 5.543 1.00 65.42 C ATOM 750 CD2 LEU A 53 3.376 -41.071 5.347 1.00 60.11 C ATOM 0 H LEU A 53 3.331 -42.859 7.466 1.00 53.13 H new ATOM 0 HA LEU A 53 0.602 -43.586 6.570 1.00 54.41 H new ATOM 0 HB2 LEU A 53 3.126 -43.579 4.900 1.00 50.11 H new ATOM 0 HB3 LEU A 53 1.467 -43.694 4.346 1.00 50.11 H new ATOM 0 HG LEU A 53 2.001 -41.528 3.783 1.00 52.23 H new ATOM 0 HD11 LEU A 53 0.880 -40.009 5.367 1.00 65.42 H new ATOM 0 HD12 LEU A 53 -0.033 -41.520 5.142 1.00 65.42 H new ATOM 0 HD13 LEU A 53 0.936 -41.277 6.615 1.00 65.42 H new ATOM 0 HD21 LEU A 53 3.339 -39.996 5.174 1.00 60.11 H new ATOM 0 HD22 LEU A 53 3.493 -41.263 6.414 1.00 60.11 H new ATOM 0 HD23 LEU A 53 4.222 -41.496 4.807 1.00 60.11 H new ATOM 762 N ARG A 54 1.071 -46.040 6.388 1.00 71.23 N ATOM 763 CA ARG A 54 1.282 -47.477 6.520 1.00 52.24 C ATOM 764 C ARG A 54 1.409 -48.136 5.149 1.00 13.32 C ATOM 765 O ARG A 54 1.045 -47.548 4.130 1.00 3.33 O ATOM 766 CB ARG A 54 0.129 -48.113 7.299 1.00 65.53 C ATOM 767 CG ARG A 54 0.584 -49.116 8.347 1.00 13.54 C ATOM 768 CD ARG A 54 0.454 -48.549 9.753 1.00 53.24 C ATOM 769 NE ARG A 54 0.361 -49.601 10.761 1.00 73.32 N ATOM 770 CZ ARG A 54 0.054 -49.375 12.033 1.00 30.03 C ATOM 771 NH1 ARG A 54 -0.188 -48.140 12.451 1.00 74.23 N ATOM 772 NH2 ARG A 54 -0.011 -50.385 12.891 1.00 33.31 N ATOM 0 H ARG A 54 0.135 -45.778 6.079 1.00 71.23 H new ATOM 0 HA ARG A 54 2.212 -47.634 7.067 1.00 52.24 H new ATOM 0 HB2 ARG A 54 -0.447 -47.326 7.787 1.00 65.53 H new ATOM 0 HB3 ARG A 54 -0.541 -48.611 6.598 1.00 65.53 H new ATOM 0 HG2 ARG A 54 -0.010 -50.026 8.264 1.00 13.54 H new ATOM 0 HG3 ARG A 54 1.621 -49.394 8.160 1.00 13.54 H new ATOM 0 HD2 ARG A 54 1.314 -47.915 9.969 1.00 53.24 H new ATOM 0 HD3 ARG A 54 -0.431 -47.915 9.808 1.00 53.24 H new ATOM 0 HE ARG A 54 0.542 -50.562 10.472 1.00 73.32 H new ATOM 0 HH11 ARG A 54 -0.139 -47.361 11.795 1.00 74.23 H new ATOM 0 HH12 ARG A 54 -0.424 -47.969 13.429 1.00 74.23 H new ATOM 0 HH21 ARG A 54 0.175 -51.336 12.574 1.00 33.31 H new ATOM 0 HH22 ARG A 54 -0.247 -50.210 13.868 1.00 33.31 H new ATOM 786 N TYR A 55 1.927 -49.359 5.132 1.00 10.45 N ATOM 787 CA TYR A 55 2.105 -50.096 3.887 1.00 32.44 C ATOM 788 C TYR A 55 1.042 -51.181 3.741 1.00 64.53 C ATOM 789 O TYR A 55 0.837 -51.991 4.645 1.00 63.31 O ATOM 790 CB TYR A 55 3.500 -50.722 3.836 1.00 75.32 C ATOM 791 CG TYR A 55 4.373 -50.166 2.734 1.00 14.30 C ATOM 792 CD1 TYR A 55 4.007 -50.294 1.400 1.00 40.04 C ATOM 793 CD2 TYR A 55 5.563 -49.512 3.027 1.00 63.50 C ATOM 794 CE1 TYR A 55 4.802 -49.788 0.389 1.00 12.43 C ATOM 795 CE2 TYR A 55 6.363 -49.002 2.023 1.00 5.35 C ATOM 796 CZ TYR A 55 5.979 -49.142 0.706 1.00 13.04 C ATOM 797 OH TYR A 55 6.774 -48.636 -0.296 1.00 52.23 O ATOM 0 H TYR A 55 2.231 -49.861 5.966 1.00 10.45 H new ATOM 0 HA TYR A 55 1.999 -49.395 3.059 1.00 32.44 H new ATOM 0 HB2 TYR A 55 3.995 -50.565 4.794 1.00 75.32 H new ATOM 0 HB3 TYR A 55 3.401 -51.799 3.701 1.00 75.32 H new ATOM 0 HD1 TYR A 55 3.085 -50.798 1.149 1.00 40.04 H new ATOM 0 HD2 TYR A 55 5.868 -49.400 4.057 1.00 63.50 H new ATOM 0 HE1 TYR A 55 4.504 -49.898 -0.643 1.00 12.43 H new ATOM 0 HE2 TYR A 55 7.285 -48.496 2.268 1.00 5.35 H new ATOM 0 HH TYR A 55 7.309 -49.359 -0.686 1.00 52.23 H new ATOM 807 N ARG A 56 0.370 -51.191 2.594 1.00 2.13 N ATOM 808 CA ARG A 56 -0.672 -52.175 2.328 1.00 63.34 C ATOM 809 C ARG A 56 -0.447 -52.853 0.979 1.00 10.00 C ATOM 810 O ARG A 56 -0.808 -52.313 -0.066 1.00 3.23 O ATOM 811 CB ARG A 56 -2.049 -51.511 2.353 1.00 14.23 C ATOM 812 CG ARG A 56 -3.203 -52.500 2.315 1.00 12.54 C ATOM 813 CD ARG A 56 -3.833 -52.568 0.933 1.00 11.20 C ATOM 814 NE ARG A 56 -4.453 -53.865 0.677 1.00 20.25 N ATOM 815 CZ ARG A 56 -5.549 -54.291 1.296 1.00 40.41 C ATOM 816 NH1 ARG A 56 -6.143 -53.525 2.201 1.00 61.11 N ATOM 817 NH2 ARG A 56 -6.053 -55.484 1.009 1.00 53.01 N ATOM 0 H ARG A 56 0.529 -50.529 1.835 1.00 2.13 H new ATOM 0 HA ARG A 56 -0.628 -52.934 3.109 1.00 63.34 H new ATOM 0 HB2 ARG A 56 -2.133 -50.902 3.253 1.00 14.23 H new ATOM 0 HB3 ARG A 56 -2.133 -50.835 1.502 1.00 14.23 H new ATOM 0 HG2 ARG A 56 -2.846 -53.489 2.602 1.00 12.54 H new ATOM 0 HG3 ARG A 56 -3.957 -52.209 3.046 1.00 12.54 H new ATOM 0 HD2 ARG A 56 -4.583 -51.783 0.838 1.00 11.20 H new ATOM 0 HD3 ARG A 56 -3.071 -52.375 0.178 1.00 11.20 H new ATOM 0 HE ARG A 56 -4.021 -54.478 -0.015 1.00 20.25 H new ATOM 0 HH11 ARG A 56 -5.759 -52.607 2.423 1.00 61.11 H new ATOM 0 HH12 ARG A 56 -6.984 -53.854 2.675 1.00 61.11 H new ATOM 0 HH21 ARG A 56 -5.599 -56.075 0.313 1.00 53.01 H new ATOM 0 HH22 ARG A 56 -6.894 -55.810 1.485 1.00 53.01 H new ATOM 831 N ASN A 57 0.152 -54.039 1.011 1.00 32.11 N ATOM 832 CA ASN A 57 0.426 -54.790 -0.209 1.00 33.23 C ATOM 833 C ASN A 57 -0.428 -56.053 -0.273 1.00 23.20 C ATOM 834 O ASN A 57 -0.304 -56.959 0.552 1.00 43.21 O ATOM 835 CB ASN A 57 1.909 -55.159 -0.283 1.00 53.11 C ATOM 836 CG ASN A 57 2.770 -54.000 -0.747 1.00 60.23 C ATOM 837 OD1 ASN A 57 3.083 -53.096 0.027 1.00 11.31 O ATOM 838 ND2 ASN A 57 3.157 -54.023 -2.017 1.00 44.23 N ATOM 0 H ASN A 57 0.457 -54.501 1.868 1.00 32.11 H new ATOM 0 HA ASN A 57 0.173 -54.158 -1.060 1.00 33.23 H new ATOM 0 HB2 ASN A 57 2.248 -55.490 0.699 1.00 53.11 H new ATOM 0 HB3 ASN A 57 2.038 -56.000 -0.965 1.00 53.11 H new ATOM 0 HD21 ASN A 57 3.738 -53.271 -2.387 1.00 44.23 H new ATOM 0 HD22 ASN A 57 2.873 -54.793 -2.623 1.00 44.23 H new ATOM 962 N VAL A 66 5.620 -47.094 5.923 1.00 24.42 N ATOM 963 CA VAL A 66 6.556 -46.093 5.424 1.00 74.52 C ATOM 964 C VAL A 66 7.300 -45.417 6.569 1.00 12.34 C ATOM 965 O VAL A 66 6.690 -44.777 7.427 1.00 45.34 O ATOM 966 CB VAL A 66 5.834 -45.019 4.589 1.00 45.23 C ATOM 967 CG1 VAL A 66 6.813 -43.944 4.141 1.00 25.03 C ATOM 968 CG2 VAL A 66 5.141 -45.651 3.392 1.00 72.43 C ATOM 0 HA VAL A 66 7.272 -46.616 4.790 1.00 74.52 H new ATOM 0 HB VAL A 66 5.074 -44.549 5.213 1.00 45.23 H new ATOM 0 HG11 VAL A 66 6.285 -43.194 3.552 1.00 25.03 H new ATOM 0 HG12 VAL A 66 7.259 -43.471 5.016 1.00 25.03 H new ATOM 0 HG13 VAL A 66 7.597 -44.396 3.534 1.00 25.03 H new ATOM 0 HG21 VAL A 66 4.636 -44.877 2.814 1.00 72.43 H new ATOM 0 HG22 VAL A 66 5.880 -46.149 2.765 1.00 72.43 H new ATOM 0 HG23 VAL A 66 4.409 -46.381 3.739 1.00 72.43 H new ATOM 978 N ARG A 67 8.621 -45.562 6.577 1.00 32.14 N ATOM 979 CA ARG A 67 9.449 -44.965 7.618 1.00 32.33 C ATOM 980 C ARG A 67 9.350 -43.443 7.586 1.00 40.15 C ATOM 981 O ARG A 67 9.303 -42.836 6.515 1.00 71.03 O ATOM 982 CB ARG A 67 10.907 -45.396 7.449 1.00 31.15 C ATOM 983 CG ARG A 67 11.874 -44.634 8.340 1.00 23.03 C ATOM 984 CD ARG A 67 11.596 -44.891 9.813 1.00 21.30 C ATOM 985 NE ARG A 67 12.207 -43.879 10.670 1.00 21.35 N ATOM 986 CZ ARG A 67 13.485 -43.898 11.034 1.00 34.32 C ATOM 987 NH1 ARG A 67 14.282 -44.872 10.617 1.00 73.12 N ATOM 988 NH2 ARG A 67 13.967 -42.941 11.817 1.00 62.53 N ATOM 0 H ARG A 67 9.141 -46.088 5.874 1.00 32.14 H new ATOM 0 HA ARG A 67 9.083 -45.315 8.583 1.00 32.33 H new ATOM 0 HB2 ARG A 67 10.990 -46.461 7.665 1.00 31.15 H new ATOM 0 HB3 ARG A 67 11.200 -45.258 6.408 1.00 31.15 H new ATOM 0 HG2 ARG A 67 12.897 -44.929 8.105 1.00 23.03 H new ATOM 0 HG3 ARG A 67 11.795 -43.566 8.135 1.00 23.03 H new ATOM 0 HD2 ARG A 67 10.519 -44.906 9.981 1.00 21.30 H new ATOM 0 HD3 ARG A 67 11.976 -45.875 10.087 1.00 21.30 H new ATOM 0 HE ARG A 67 11.621 -43.116 11.008 1.00 21.35 H new ATOM 0 HH11 ARG A 67 13.915 -45.609 10.015 1.00 73.12 H new ATOM 0 HH12 ARG A 67 15.262 -44.884 10.898 1.00 73.12 H new ATOM 0 HH21 ARG A 67 13.356 -42.190 12.140 1.00 62.53 H new ATOM 0 HH22 ARG A 67 14.948 -42.956 12.096 1.00 62.53 H new ATOM 1002 N LEU A 68 9.319 -42.832 8.765 1.00 54.14 N ATOM 1003 CA LEU A 68 9.225 -41.380 8.872 1.00 71.03 C ATOM 1004 C LEU A 68 10.328 -40.828 9.768 1.00 3.24 C ATOM 1005 O LEU A 68 10.415 -41.171 10.948 1.00 74.05 O ATOM 1006 CB LEU A 68 7.856 -40.977 9.421 1.00 15.25 C ATOM 1007 CG LEU A 68 7.640 -39.481 9.656 1.00 63.21 C ATOM 1008 CD1 LEU A 68 8.171 -39.073 11.022 1.00 75.24 C ATOM 1009 CD2 LEU A 68 8.309 -38.668 8.557 1.00 13.53 C ATOM 0 H LEU A 68 9.358 -43.319 9.660 1.00 54.14 H new ATOM 0 HA LEU A 68 9.348 -40.958 7.875 1.00 71.03 H new ATOM 0 HB2 LEU A 68 7.091 -41.330 8.729 1.00 15.25 H new ATOM 0 HB3 LEU A 68 7.697 -41.499 10.365 1.00 15.25 H new ATOM 0 HG LEU A 68 6.569 -39.279 9.630 1.00 63.21 H new ATOM 0 HD11 LEU A 68 8.009 -38.006 11.171 1.00 75.24 H new ATOM 0 HD12 LEU A 68 7.647 -39.632 11.798 1.00 75.24 H new ATOM 0 HD13 LEU A 68 9.238 -39.289 11.077 1.00 75.24 H new ATOM 0 HD21 LEU A 68 8.146 -37.606 8.739 1.00 13.53 H new ATOM 0 HD22 LEU A 68 9.379 -38.875 8.552 1.00 13.53 H new ATOM 0 HD23 LEU A 68 7.882 -38.940 7.592 1.00 13.53 H new ATOM 1021 N VAL A 69 11.170 -39.968 9.202 1.00 35.40 N ATOM 1022 CA VAL A 69 12.266 -39.365 9.951 1.00 73.42 C ATOM 1023 C VAL A 69 12.378 -37.874 9.655 1.00 30.04 C ATOM 1024 O VAL A 69 12.659 -37.475 8.526 1.00 40.11 O ATOM 1025 CB VAL A 69 13.609 -40.045 9.624 1.00 11.23 C ATOM 1026 CG1 VAL A 69 13.802 -40.152 8.119 1.00 14.52 C ATOM 1027 CG2 VAL A 69 14.760 -39.284 10.265 1.00 51.12 C ATOM 0 H VAL A 69 11.114 -39.674 8.227 1.00 35.40 H new ATOM 0 HA VAL A 69 12.043 -39.507 11.009 1.00 73.42 H new ATOM 0 HB VAL A 69 13.596 -41.054 10.036 1.00 11.23 H new ATOM 0 HG11 VAL A 69 14.756 -40.635 7.908 1.00 14.52 H new ATOM 0 HG12 VAL A 69 12.993 -40.743 7.690 1.00 14.52 H new ATOM 0 HG13 VAL A 69 13.795 -39.155 7.679 1.00 14.52 H new ATOM 0 HG21 VAL A 69 15.701 -39.778 10.024 1.00 51.12 H new ATOM 0 HG22 VAL A 69 14.778 -38.263 9.884 1.00 51.12 H new ATOM 0 HG23 VAL A 69 14.626 -39.266 11.347 1.00 51.12 H new ATOM 1037 N GLU A 70 12.157 -37.055 10.679 1.00 32.22 N ATOM 1038 CA GLU A 70 12.233 -35.607 10.528 1.00 1.13 C ATOM 1039 C GLU A 70 11.198 -35.109 9.524 1.00 71.23 C ATOM 1040 O GLU A 70 11.398 -34.092 8.862 1.00 44.13 O ATOM 1041 CB GLU A 70 13.636 -35.192 10.080 1.00 51.23 C ATOM 1042 CG GLU A 70 14.750 -35.861 10.867 1.00 33.12 C ATOM 1043 CD GLU A 70 15.813 -34.881 11.322 1.00 43.42 C ATOM 1044 OE1 GLU A 70 16.824 -34.727 10.604 1.00 73.23 O ATOM 1045 OE2 GLU A 70 15.636 -34.267 12.395 1.00 70.32 O ATOM 0 H GLU A 70 11.924 -37.370 11.621 1.00 32.22 H new ATOM 0 HA GLU A 70 12.020 -35.155 11.497 1.00 1.13 H new ATOM 0 HB2 GLU A 70 13.756 -35.430 9.023 1.00 51.23 H new ATOM 0 HB3 GLU A 70 13.734 -34.111 10.176 1.00 51.23 H new ATOM 0 HG2 GLU A 70 14.325 -36.360 11.738 1.00 33.12 H new ATOM 0 HG3 GLU A 70 15.212 -36.632 10.251 1.00 33.12 H new ATOM 1052 N GLY A 71 10.089 -35.836 9.416 1.00 44.41 N ATOM 1053 CA GLY A 71 9.039 -35.454 8.490 1.00 2.50 C ATOM 1054 C GLY A 71 9.221 -36.073 7.119 1.00 63.42 C ATOM 1055 O GLY A 71 8.251 -36.278 6.389 1.00 32.12 O ATOM 0 H GLY A 71 9.900 -36.682 9.953 1.00 44.41 H new ATOM 0 HA2 GLY A 71 8.073 -35.756 8.896 1.00 2.50 H new ATOM 0 HA3 GLY A 71 9.020 -34.368 8.395 1.00 2.50 H new ATOM 1059 N ILE A 72 10.467 -36.371 6.767 1.00 64.43 N ATOM 1060 CA ILE A 72 10.773 -36.971 5.474 1.00 52.33 C ATOM 1061 C ILE A 72 10.447 -38.460 5.468 1.00 61.44 C ATOM 1062 O ILE A 72 11.096 -39.252 6.154 1.00 55.23 O ATOM 1063 CB ILE A 72 12.255 -36.779 5.100 1.00 34.12 C ATOM 1064 CG1 ILE A 72 12.598 -35.290 5.033 1.00 12.52 C ATOM 1065 CG2 ILE A 72 12.558 -37.458 3.773 1.00 25.42 C ATOM 1066 CD1 ILE A 72 13.679 -34.874 6.006 1.00 20.32 C ATOM 0 H ILE A 72 11.281 -36.207 7.359 1.00 64.43 H new ATOM 0 HA ILE A 72 10.152 -36.463 4.736 1.00 52.33 H new ATOM 0 HB ILE A 72 12.872 -37.240 5.871 1.00 34.12 H new ATOM 0 HG12 ILE A 72 12.918 -35.044 4.020 1.00 12.52 H new ATOM 0 HG13 ILE A 72 11.698 -34.709 5.233 1.00 12.52 H new ATOM 0 HG21 ILE A 72 13.609 -37.314 3.522 1.00 25.42 H new ATOM 0 HG22 ILE A 72 12.347 -38.524 3.853 1.00 25.42 H new ATOM 0 HG23 ILE A 72 11.935 -37.023 2.991 1.00 25.42 H new ATOM 0 HD11 ILE A 72 13.870 -33.806 5.903 1.00 20.32 H new ATOM 0 HD12 ILE A 72 13.354 -35.088 7.024 1.00 20.32 H new ATOM 0 HD13 ILE A 72 14.593 -35.428 5.793 1.00 20.32 H new ATOM 1078 N LEU A 73 9.440 -38.837 4.688 1.00 51.14 N ATOM 1079 CA LEU A 73 9.028 -40.233 4.590 1.00 64.12 C ATOM 1080 C LEU A 73 10.047 -41.047 3.797 1.00 14.43 C ATOM 1081 O LEU A 73 10.223 -40.840 2.596 1.00 11.32 O ATOM 1082 CB LEU A 73 7.652 -40.335 3.930 1.00 43.34 C ATOM 1083 CG LEU A 73 6.457 -39.972 4.811 1.00 54.21 C ATOM 1084 CD1 LEU A 73 6.443 -40.824 6.070 1.00 25.22 C ATOM 1085 CD2 LEU A 73 6.486 -38.492 5.166 1.00 35.43 C ATOM 0 H LEU A 73 8.893 -38.195 4.114 1.00 51.14 H new ATOM 0 HA LEU A 73 8.970 -40.641 5.599 1.00 64.12 H new ATOM 0 HB2 LEU A 73 7.642 -39.686 3.054 1.00 43.34 H new ATOM 0 HB3 LEU A 73 7.517 -41.356 3.572 1.00 43.34 H new ATOM 0 HG LEU A 73 5.543 -40.173 4.251 1.00 54.21 H new ATOM 0 HD11 LEU A 73 5.585 -40.551 6.685 1.00 25.22 H new ATOM 0 HD12 LEU A 73 6.373 -41.877 5.796 1.00 25.22 H new ATOM 0 HD13 LEU A 73 7.361 -40.656 6.633 1.00 25.22 H new ATOM 0 HD21 LEU A 73 5.628 -38.251 5.794 1.00 35.43 H new ATOM 0 HD22 LEU A 73 7.405 -38.265 5.706 1.00 35.43 H new ATOM 0 HD23 LEU A 73 6.446 -37.898 4.253 1.00 35.43 H new ATOM 1097 N HIS A 74 10.713 -41.974 4.477 1.00 63.31 N ATOM 1098 CA HIS A 74 11.712 -42.822 3.836 1.00 43.35 C ATOM 1099 C HIS A 74 11.056 -44.029 3.173 1.00 71.03 C ATOM 1100 O HIS A 74 10.022 -44.515 3.631 1.00 64.00 O ATOM 1101 CB HIS A 74 12.749 -43.288 4.858 1.00 1.42 C ATOM 1102 CG HIS A 74 14.164 -43.069 4.419 1.00 41.50 C ATOM 1103 ND1 HIS A 74 14.690 -43.622 3.271 1.00 70.03 N ATOM 1104 CD2 HIS A 74 15.164 -42.350 4.980 1.00 1.44 C ATOM 1105 CE1 HIS A 74 15.953 -43.254 3.146 1.00 73.52 C ATOM 1106 NE2 HIS A 74 16.265 -42.481 4.170 1.00 31.42 N ATOM 0 H HIS A 74 10.579 -42.157 5.471 1.00 63.31 H new ATOM 0 HA HIS A 74 12.211 -42.233 3.066 1.00 43.35 H new ATOM 0 HB2 HIS A 74 12.583 -42.761 5.798 1.00 1.42 H new ATOM 0 HB3 HIS A 74 12.599 -44.349 5.057 1.00 1.42 H new ATOM 0 HD2 HIS A 74 15.107 -41.779 5.895 1.00 1.44 H new ATOM 0 HE1 HIS A 74 16.617 -43.537 2.343 1.00 73.52 H new ATOM 0 HE2 HIS A 74 17.176 -42.051 4.333 1.00 31.42 H new ATOM 1114 N ALA A 75 11.663 -44.507 2.092 1.00 70.34 N ATOM 1115 CA ALA A 75 11.138 -45.658 1.367 1.00 62.01 C ATOM 1116 C ALA A 75 11.842 -46.942 1.792 1.00 63.22 C ATOM 1117 O ALA A 75 12.975 -46.927 2.273 1.00 24.33 O ATOM 1118 CB ALA A 75 11.281 -45.447 -0.133 1.00 70.01 C ATOM 0 H ALA A 75 12.519 -44.115 1.699 1.00 70.34 H new ATOM 0 HA ALA A 75 10.080 -45.757 1.610 1.00 62.01 H new ATOM 0 HB1 ALA A 75 10.885 -46.314 -0.662 1.00 70.01 H new ATOM 0 HB2 ALA A 75 10.727 -44.557 -0.430 1.00 70.01 H new ATOM 0 HB3 ALA A 75 12.334 -45.319 -0.384 1.00 70.01 H new ATOM 1124 N PRO A 76 11.157 -48.081 1.611 1.00 23.14 N ATOM 1125 CA PRO A 76 11.698 -49.396 1.970 1.00 43.50 C ATOM 1126 C PRO A 76 12.840 -49.822 1.054 1.00 60.13 C ATOM 1127 O PRO A 76 13.295 -49.048 0.211 1.00 32.12 O ATOM 1128 CB PRO A 76 10.499 -50.331 1.801 1.00 74.15 C ATOM 1129 CG PRO A 76 9.623 -49.648 0.808 1.00 53.11 C ATOM 1130 CD PRO A 76 9.802 -48.174 1.043 1.00 41.52 C ATOM 0 HA PRO A 76 12.122 -49.402 2.974 1.00 43.50 H new ATOM 0 HB2 PRO A 76 10.810 -51.313 1.445 1.00 74.15 H new ATOM 0 HB3 PRO A 76 9.980 -50.484 2.747 1.00 74.15 H new ATOM 0 HG2 PRO A 76 9.903 -49.918 -0.210 1.00 53.11 H new ATOM 0 HG3 PRO A 76 8.581 -49.941 0.940 1.00 53.11 H new ATOM 0 HD2 PRO A 76 9.715 -47.606 0.117 1.00 41.52 H new ATOM 0 HD3 PRO A 76 9.051 -47.782 1.729 1.00 41.52 H new ATOM 1138 N ASP A 77 13.298 -51.057 1.223 1.00 24.33 N ATOM 1139 CA ASP A 77 14.387 -51.587 0.410 1.00 33.50 C ATOM 1140 C ASP A 77 13.879 -52.018 -0.962 1.00 61.55 C ATOM 1141 O ASP A 77 14.652 -52.469 -1.808 1.00 10.15 O ATOM 1142 CB ASP A 77 15.050 -52.770 1.117 1.00 65.43 C ATOM 1143 CG ASP A 77 15.875 -52.341 2.314 1.00 12.14 C ATOM 1144 OD1 ASP A 77 15.681 -51.203 2.792 1.00 74.05 O ATOM 1145 OD2 ASP A 77 16.713 -53.143 2.775 1.00 5.11 O ATOM 0 H ASP A 77 12.932 -51.710 1.916 1.00 24.33 H new ATOM 0 HA ASP A 77 15.125 -50.796 0.273 1.00 33.50 H new ATOM 0 HB2 ASP A 77 14.282 -53.472 1.442 1.00 65.43 H new ATOM 0 HB3 ASP A 77 15.689 -53.300 0.411 1.00 65.43 H new ATOM 1150 N ALA A 78 12.575 -51.878 -1.176 1.00 70.14 N ATOM 1151 CA ALA A 78 11.965 -52.252 -2.446 1.00 55.11 C ATOM 1152 C ALA A 78 11.518 -51.019 -3.225 1.00 30.14 C ATOM 1153 O ALA A 78 11.451 -51.039 -4.453 1.00 21.11 O ATOM 1154 CB ALA A 78 10.786 -53.185 -2.211 1.00 22.24 C ATOM 0 H ALA A 78 11.921 -51.508 -0.486 1.00 70.14 H new ATOM 0 HA ALA A 78 12.715 -52.774 -3.041 1.00 55.11 H new ATOM 0 HB1 ALA A 78 10.340 -53.456 -3.168 1.00 22.24 H new ATOM 0 HB2 ALA A 78 11.130 -54.086 -1.703 1.00 22.24 H new ATOM 0 HB3 ALA A 78 10.042 -52.682 -1.593 1.00 22.24 H new ATOM 1160 N GLY A 79 11.212 -49.946 -2.501 1.00 23.21 N ATOM 1161 CA GLY A 79 10.775 -48.720 -3.141 1.00 50.52 C ATOM 1162 C GLY A 79 9.361 -48.335 -2.752 1.00 43.35 C ATOM 1163 O GLY A 79 8.739 -48.993 -1.919 1.00 72.12 O ATOM 0 H GLY A 79 11.259 -49.905 -1.483 1.00 23.21 H new ATOM 0 HA2 GLY A 79 11.455 -47.911 -2.873 1.00 50.52 H new ATOM 0 HA3 GLY A 79 10.831 -48.839 -4.223 1.00 50.52 H new ATOM 1167 N TRP A 80 8.854 -47.266 -3.355 1.00 42.34 N ATOM 1168 CA TRP A 80 7.505 -46.793 -3.066 1.00 30.22 C ATOM 1169 C TRP A 80 6.460 -47.743 -3.641 1.00 24.42 C ATOM 1170 O TRP A 80 5.630 -48.283 -2.911 1.00 22.41 O ATOM 1171 CB TRP A 80 7.302 -45.388 -3.634 1.00 53.32 C ATOM 1172 CG TRP A 80 8.059 -44.331 -2.889 1.00 42.52 C ATOM 1173 CD1 TRP A 80 9.027 -43.509 -3.391 1.00 44.53 C ATOM 1174 CD2 TRP A 80 7.912 -43.983 -1.508 1.00 70.40 C ATOM 1175 NE1 TRP A 80 9.491 -42.671 -2.405 1.00 70.32 N ATOM 1176 CE2 TRP A 80 8.822 -42.942 -1.241 1.00 22.01 C ATOM 1177 CE3 TRP A 80 7.099 -44.449 -0.472 1.00 33.34 C ATOM 1178 CZ2 TRP A 80 8.940 -42.362 0.019 1.00 24.24 C ATOM 1179 CZ3 TRP A 80 7.217 -43.873 0.779 1.00 44.03 C ATOM 1180 CH2 TRP A 80 8.132 -42.838 1.016 1.00 52.04 C ATOM 0 H TRP A 80 9.357 -46.710 -4.047 1.00 42.34 H new ATOM 0 HA TRP A 80 7.383 -46.760 -1.983 1.00 30.22 H new ATOM 0 HB2 TRP A 80 7.612 -45.378 -4.679 1.00 53.32 H new ATOM 0 HB3 TRP A 80 6.239 -45.146 -3.614 1.00 53.32 H new ATOM 0 HD1 TRP A 80 9.377 -43.516 -4.413 1.00 44.53 H new ATOM 0 HE1 TRP A 80 10.216 -41.963 -2.521 1.00 70.32 H new ATOM 0 HE3 TRP A 80 6.391 -45.245 -0.645 1.00 33.34 H new ATOM 0 HZ2 TRP A 80 9.644 -41.564 0.203 1.00 24.24 H new ATOM 0 HZ3 TRP A 80 6.594 -44.226 1.587 1.00 44.03 H new ATOM 0 HH2 TRP A 80 8.201 -42.408 2.004 1.00 52.04 H new ATOM 1191 N GLY A 81 6.507 -47.944 -4.954 1.00 45.55 N ATOM 1192 CA GLY A 81 5.559 -48.829 -5.604 1.00 63.33 C ATOM 1193 C GLY A 81 4.234 -48.152 -5.889 1.00 14.44 C ATOM 1194 O GLY A 81 4.131 -46.927 -5.833 1.00 74.02 O ATOM 0 H GLY A 81 7.185 -47.509 -5.580 1.00 45.55 H new ATOM 0 HA2 GLY A 81 5.987 -49.191 -6.539 1.00 63.33 H new ATOM 0 HA3 GLY A 81 5.389 -49.701 -4.973 1.00 63.33 H new ATOM 1198 N ASN A 82 3.216 -48.950 -6.195 1.00 64.15 N ATOM 1199 CA ASN A 82 1.891 -48.419 -6.492 1.00 73.50 C ATOM 1200 C ASN A 82 0.827 -49.105 -5.639 1.00 42.42 C ATOM 1201 O ASN A 82 -0.307 -49.300 -6.079 1.00 44.34 O ATOM 1202 CB ASN A 82 1.566 -48.602 -7.976 1.00 12.20 C ATOM 1203 CG ASN A 82 2.789 -48.447 -8.859 1.00 10.21 C ATOM 1204 OD1 ASN A 82 3.197 -47.205 -9.092 1.00 22.42 O flip ATOM 1205 ND2 ASN A 82 3.360 -49.432 -9.326 1.00 11.34 N flip ATOM 0 H ASN A 82 3.284 -49.967 -6.244 1.00 64.15 H new ATOM 0 HA ASN A 82 1.892 -47.355 -6.256 1.00 73.50 H new ATOM 0 HB2 ASN A 82 1.132 -49.590 -8.131 1.00 12.20 H new ATOM 0 HB3 ASN A 82 0.812 -47.873 -8.273 1.00 12.20 H new ATOM 0 HD21 ASN A 82 3.012 -50.368 -9.121 1.00 11.34 H new ATOM 0 HD22 ASN A 82 4.182 -49.312 -9.918 1.00 11.34 H new ATOM 1212 N LEU A 83 1.200 -49.467 -4.417 1.00 23.30 N ATOM 1213 CA LEU A 83 0.279 -50.130 -3.501 1.00 32.42 C ATOM 1214 C LEU A 83 -0.530 -49.109 -2.708 1.00 3.24 C ATOM 1215 O LEU A 83 -0.415 -47.903 -2.929 1.00 62.20 O ATOM 1216 CB LEU A 83 1.048 -51.043 -2.544 1.00 41.11 C ATOM 1217 CG LEU A 83 2.317 -50.453 -1.929 1.00 3.44 C ATOM 1218 CD1 LEU A 83 3.493 -50.605 -2.881 1.00 22.22 C ATOM 1219 CD2 LEU A 83 2.105 -48.989 -1.570 1.00 43.02 C ATOM 0 H LEU A 83 2.134 -49.313 -4.037 1.00 23.30 H new ATOM 0 HA LEU A 83 -0.411 -50.732 -4.092 1.00 32.42 H new ATOM 0 HB2 LEU A 83 0.378 -51.335 -1.735 1.00 41.11 H new ATOM 0 HB3 LEU A 83 1.317 -51.953 -3.080 1.00 41.11 H new ATOM 0 HG LEU A 83 2.543 -51.002 -1.015 1.00 3.44 H new ATOM 0 HD11 LEU A 83 4.387 -50.179 -2.426 1.00 22.22 H new ATOM 0 HD12 LEU A 83 3.659 -51.662 -3.088 1.00 22.22 H new ATOM 0 HD13 LEU A 83 3.277 -50.083 -3.813 1.00 22.22 H new ATOM 0 HD21 LEU A 83 3.019 -48.585 -1.133 1.00 43.02 H new ATOM 0 HD22 LEU A 83 1.853 -48.427 -2.469 1.00 43.02 H new ATOM 0 HD23 LEU A 83 1.291 -48.905 -0.850 1.00 43.02 H new ATOM 1231 N VAL A 84 -1.347 -49.599 -1.781 1.00 24.14 N ATOM 1232 CA VAL A 84 -2.172 -48.729 -0.951 1.00 40.04 C ATOM 1233 C VAL A 84 -1.495 -48.438 0.383 1.00 0.41 C ATOM 1234 O VAL A 84 -0.678 -49.225 0.862 1.00 75.01 O ATOM 1235 CB VAL A 84 -3.555 -49.352 -0.687 1.00 74.45 C ATOM 1236 CG1 VAL A 84 -4.488 -48.333 -0.050 1.00 62.35 C ATOM 1237 CG2 VAL A 84 -4.149 -49.897 -1.978 1.00 0.21 C ATOM 0 H VAL A 84 -1.455 -50.594 -1.586 1.00 24.14 H new ATOM 0 HA VAL A 84 -2.301 -47.797 -1.501 1.00 40.04 H new ATOM 0 HB VAL A 84 -3.433 -50.182 0.009 1.00 74.45 H new ATOM 0 HG11 VAL A 84 -5.460 -48.792 0.129 1.00 62.35 H new ATOM 0 HG12 VAL A 84 -4.066 -47.995 0.897 1.00 62.35 H new ATOM 0 HG13 VAL A 84 -4.607 -47.480 -0.719 1.00 62.35 H new ATOM 0 HG21 VAL A 84 -5.126 -50.334 -1.773 1.00 0.21 H new ATOM 0 HG22 VAL A 84 -4.258 -49.087 -2.699 1.00 0.21 H new ATOM 0 HG23 VAL A 84 -3.489 -50.661 -2.388 1.00 0.21 H new ATOM 1247 N TYR A 85 -1.840 -47.302 0.979 1.00 2.23 N ATOM 1248 CA TYR A 85 -1.264 -46.905 2.259 1.00 41.33 C ATOM 1249 C TYR A 85 -2.357 -46.525 3.254 1.00 65.15 C ATOM 1250 O TYR A 85 -3.397 -45.987 2.875 1.00 33.24 O ATOM 1251 CB TYR A 85 -0.303 -45.730 2.067 1.00 60.33 C ATOM 1252 CG TYR A 85 -0.921 -44.386 2.377 1.00 4.52 C ATOM 1253 CD1 TYR A 85 -1.001 -43.921 3.684 1.00 24.24 C ATOM 1254 CD2 TYR A 85 -1.425 -43.580 1.364 1.00 51.10 C ATOM 1255 CE1 TYR A 85 -1.565 -42.694 3.973 1.00 3.41 C ATOM 1256 CE2 TYR A 85 -1.989 -42.350 1.643 1.00 34.32 C ATOM 1257 CZ TYR A 85 -2.057 -41.912 2.949 1.00 12.31 C ATOM 1258 OH TYR A 85 -2.620 -40.688 3.232 1.00 61.15 O ATOM 0 H TYR A 85 -2.515 -46.640 0.597 1.00 2.23 H new ATOM 0 HA TYR A 85 -0.712 -47.755 2.660 1.00 41.33 H new ATOM 0 HB2 TYR A 85 0.568 -45.876 2.706 1.00 60.33 H new ATOM 0 HB3 TYR A 85 0.054 -45.728 1.037 1.00 60.33 H new ATOM 0 HD1 TYR A 85 -0.615 -44.530 4.488 1.00 24.24 H new ATOM 0 HD2 TYR A 85 -1.375 -43.921 0.340 1.00 51.10 H new ATOM 0 HE1 TYR A 85 -1.620 -42.349 4.995 1.00 3.41 H new ATOM 0 HE2 TYR A 85 -2.374 -41.735 0.843 1.00 34.32 H new ATOM 0 HH TYR A 85 -2.509 -40.091 2.463 1.00 61.15 H new ATOM 1268 N VAL A 86 -2.111 -46.809 4.529 1.00 51.12 N ATOM 1269 CA VAL A 86 -3.072 -46.496 5.580 1.00 22.41 C ATOM 1270 C VAL A 86 -2.584 -45.339 6.445 1.00 64.54 C ATOM 1271 O VAL A 86 -1.528 -45.422 7.072 1.00 4.32 O ATOM 1272 CB VAL A 86 -3.337 -47.718 6.479 1.00 32.43 C ATOM 1273 CG1 VAL A 86 -4.363 -47.381 7.551 1.00 43.34 C ATOM 1274 CG2 VAL A 86 -3.797 -48.904 5.644 1.00 10.13 C ATOM 0 H VAL A 86 -1.255 -47.255 4.859 1.00 51.12 H new ATOM 0 HA VAL A 86 -4.000 -46.209 5.085 1.00 22.41 H new ATOM 0 HB VAL A 86 -2.405 -47.991 6.975 1.00 32.43 H new ATOM 0 HG11 VAL A 86 -4.537 -48.257 8.176 1.00 43.34 H new ATOM 0 HG12 VAL A 86 -3.990 -46.563 8.168 1.00 43.34 H new ATOM 0 HG13 VAL A 86 -5.298 -47.081 7.078 1.00 43.34 H new ATOM 0 HG21 VAL A 86 -3.980 -49.759 6.295 1.00 10.13 H new ATOM 0 HG22 VAL A 86 -4.717 -48.645 5.119 1.00 10.13 H new ATOM 0 HG23 VAL A 86 -3.025 -49.159 4.918 1.00 10.13 H new ATOM 1284 N VAL A 87 -3.360 -44.261 6.473 1.00 3.33 N ATOM 1285 CA VAL A 87 -3.008 -43.086 7.262 1.00 25.34 C ATOM 1286 C VAL A 87 -2.881 -43.436 8.741 1.00 11.50 C ATOM 1287 O VAL A 87 -3.451 -44.421 9.207 1.00 25.32 O ATOM 1288 CB VAL A 87 -4.052 -41.966 7.098 1.00 22.13 C ATOM 1289 CG1 VAL A 87 -3.913 -41.302 5.737 1.00 1.30 C ATOM 1290 CG2 VAL A 87 -5.457 -42.516 7.292 1.00 50.35 C ATOM 0 H VAL A 87 -4.237 -44.176 5.959 1.00 3.33 H new ATOM 0 HA VAL A 87 -2.046 -42.732 6.891 1.00 25.34 H new ATOM 0 HB VAL A 87 -3.873 -41.211 7.863 1.00 22.13 H new ATOM 0 HG11 VAL A 87 -4.659 -40.513 5.639 1.00 1.30 H new ATOM 0 HG12 VAL A 87 -2.916 -40.872 5.642 1.00 1.30 H new ATOM 0 HG13 VAL A 87 -4.065 -42.044 4.953 1.00 1.30 H new ATOM 0 HG21 VAL A 87 -6.182 -41.711 7.173 1.00 50.35 H new ATOM 0 HG22 VAL A 87 -5.650 -43.291 6.550 1.00 50.35 H new ATOM 0 HG23 VAL A 87 -5.547 -42.940 8.292 1.00 50.35 H new ATOM 1300 N ASN A 88 -2.131 -42.619 9.474 1.00 24.40 N ATOM 1301 CA ASN A 88 -1.929 -42.842 10.901 1.00 21.02 C ATOM 1302 C ASN A 88 -1.824 -41.516 11.649 1.00 64.30 C ATOM 1303 O ASN A 88 -0.970 -40.684 11.341 1.00 54.12 O ATOM 1304 CB ASN A 88 -0.667 -43.674 11.135 1.00 25.24 C ATOM 1305 CG ASN A 88 -0.683 -44.386 12.474 1.00 13.24 C ATOM 1306 OD1 ASN A 88 -1.741 -44.776 12.969 1.00 22.23 O ATOM 1307 ND2 ASN A 88 0.492 -44.557 13.068 1.00 63.42 N ATOM 0 H ASN A 88 -1.654 -41.797 9.104 1.00 24.40 H new ATOM 0 HA ASN A 88 -2.791 -43.388 11.284 1.00 21.02 H new ATOM 0 HB2 ASN A 88 -0.567 -44.410 10.337 1.00 25.24 H new ATOM 0 HB3 ASN A 88 0.207 -43.025 11.082 1.00 25.24 H new ATOM 0 HD21 ASN A 88 0.543 -45.028 13.971 1.00 63.42 H new ATOM 0 HD22 ASN A 88 1.344 -44.217 12.621 1.00 63.42 H new