USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 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 -112:sc= 1.31 USER MOD Single : A 24 ASN : amide:sc= -0.0958 X(o=-0.096,f=-0.16) USER MOD Single : A 32 SER OG : rot -57:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.653 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 -38:sc= 0.841 USER MOD Single : A 46 GLN :FLIP amide:sc= -4.06! C(o=-6.2!,f=-4.1!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -161:sc= 0.475 USER MOD Single : A 57 ASN : amide:sc= -1.03 K(o=-1,f=-3.9!) USER MOD Single : A 74 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-3.8!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.264 F(o=-1.7,f=-0.26) USER MOD Single : A 85 TYR OH : rot -38:sc= 1.27 USER MOD Single : A 88 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 -1.986 -35.535 -9.362 1.00 51.11 N ATOM 195 CA GLU A 15 -1.427 -36.638 -8.589 1.00 1.40 C ATOM 196 C GLU A 15 -1.573 -36.381 -7.092 1.00 31.53 C ATOM 197 O GLU A 15 -2.269 -35.455 -6.674 1.00 64.24 O ATOM 198 CB GLU A 15 0.048 -36.840 -8.941 1.00 63.12 C ATOM 199 CG GLU A 15 0.380 -38.255 -9.384 1.00 74.30 C ATOM 200 CD GLU A 15 1.176 -39.021 -8.345 1.00 15.53 C ATOM 201 OE1 GLU A 15 0.616 -39.963 -7.745 1.00 40.25 O ATOM 202 OE2 GLU A 15 2.357 -38.677 -8.130 1.00 72.52 O ATOM 0 HA GLU A 15 -1.981 -37.543 -8.841 1.00 1.40 H new ATOM 0 HB2 GLU A 15 0.321 -36.146 -9.736 1.00 63.12 H new ATOM 0 HB3 GLU A 15 0.658 -36.587 -8.073 1.00 63.12 H new ATOM 0 HG2 GLU A 15 -0.545 -38.792 -9.596 1.00 74.30 H new ATOM 0 HG3 GLU A 15 0.946 -38.217 -10.314 1.00 74.30 H new ATOM 209 N TYR A 16 -0.913 -37.209 -6.289 1.00 53.00 N ATOM 210 CA TYR A 16 -0.972 -37.075 -4.838 1.00 45.03 C ATOM 211 C TYR A 16 0.415 -37.231 -4.221 1.00 33.44 C ATOM 212 O TYR A 16 1.393 -37.488 -4.922 1.00 65.23 O ATOM 213 CB TYR A 16 -1.926 -38.114 -4.247 1.00 42.00 C ATOM 214 CG TYR A 16 -1.881 -39.449 -4.954 1.00 64.55 C ATOM 215 CD1 TYR A 16 -0.841 -40.343 -4.727 1.00 35.54 C ATOM 216 CD2 TYR A 16 -2.876 -39.817 -5.851 1.00 60.03 C ATOM 217 CE1 TYR A 16 -0.795 -41.565 -5.371 1.00 55.52 C ATOM 218 CE2 TYR A 16 -2.839 -41.037 -6.499 1.00 41.52 C ATOM 219 CZ TYR A 16 -1.797 -41.907 -6.256 1.00 43.30 C ATOM 220 OH TYR A 16 -1.755 -43.122 -6.900 1.00 54.25 O ATOM 0 H TYR A 16 -0.331 -37.980 -6.618 1.00 53.00 H new ATOM 0 HA TYR A 16 -1.344 -36.077 -4.605 1.00 45.03 H new ATOM 0 HB2 TYR A 16 -1.683 -38.261 -3.195 1.00 42.00 H new ATOM 0 HB3 TYR A 16 -2.943 -37.725 -4.287 1.00 42.00 H new ATOM 0 HD1 TYR A 16 -0.055 -40.078 -4.035 1.00 35.54 H new ATOM 0 HD2 TYR A 16 -3.693 -39.138 -6.045 1.00 60.03 H new ATOM 0 HE1 TYR A 16 0.020 -42.248 -5.183 1.00 55.52 H new ATOM 0 HE2 TYR A 16 -3.622 -41.308 -7.192 1.00 41.52 H new ATOM 0 HH TYR A 16 -2.535 -43.208 -7.487 1.00 54.25 H new ATOM 230 N ILE A 17 0.489 -37.075 -2.903 1.00 61.42 N ATOM 231 CA ILE A 17 1.754 -37.201 -2.190 1.00 0.01 C ATOM 232 C ILE A 17 1.730 -38.387 -1.232 1.00 72.43 C ATOM 233 O ILE A 17 0.852 -38.488 -0.375 1.00 30.30 O ATOM 234 CB ILE A 17 2.082 -35.922 -1.397 1.00 24.21 C ATOM 235 CG1 ILE A 17 3.262 -36.169 -0.454 1.00 62.34 C ATOM 236 CG2 ILE A 17 0.863 -35.455 -0.617 1.00 32.05 C ATOM 237 CD1 ILE A 17 3.768 -34.915 0.223 1.00 52.44 C ATOM 0 H ILE A 17 -0.312 -36.861 -2.308 1.00 61.42 H new ATOM 0 HA ILE A 17 2.526 -37.361 -2.943 1.00 0.01 H new ATOM 0 HB ILE A 17 2.361 -35.138 -2.101 1.00 24.21 H new ATOM 0 HG12 ILE A 17 2.963 -36.888 0.308 1.00 62.34 H new ATOM 0 HG13 ILE A 17 4.078 -36.622 -1.017 1.00 62.34 H new ATOM 0 HG21 ILE A 17 1.111 -34.550 -0.062 1.00 32.05 H new ATOM 0 HG22 ILE A 17 0.047 -35.244 -1.309 1.00 32.05 H new ATOM 0 HG23 ILE A 17 0.556 -36.235 0.079 1.00 32.05 H new ATOM 0 HD11 ILE A 17 4.604 -35.166 0.876 1.00 52.44 H new ATOM 0 HD12 ILE A 17 4.099 -34.202 -0.532 1.00 52.44 H new ATOM 0 HD13 ILE A 17 2.966 -34.472 0.814 1.00 52.44 H new ATOM 249 N ARG A 18 2.700 -39.283 -1.383 1.00 44.42 N ATOM 250 CA ARG A 18 2.791 -40.462 -0.531 1.00 70.34 C ATOM 251 C ARG A 18 4.032 -40.399 0.355 1.00 73.25 C ATOM 252 O ARG A 18 5.152 -40.601 -0.113 1.00 45.44 O ATOM 253 CB ARG A 18 2.824 -41.732 -1.384 1.00 40.00 C ATOM 254 CG ARG A 18 1.523 -42.518 -1.357 1.00 4.12 C ATOM 255 CD ARG A 18 1.774 -44.003 -1.151 1.00 24.55 C ATOM 256 NE ARG A 18 1.910 -44.717 -2.418 1.00 3.24 N ATOM 257 CZ ARG A 18 2.291 -45.986 -2.509 1.00 73.22 C ATOM 258 NH1 ARG A 18 2.571 -46.678 -1.414 1.00 21.43 N ATOM 259 NH2 ARG A 18 2.391 -46.566 -3.699 1.00 12.14 N ATOM 0 H ARG A 18 3.434 -39.215 -2.088 1.00 44.42 H new ATOM 0 HA ARG A 18 1.910 -40.485 0.110 1.00 70.34 H new ATOM 0 HB2 ARG A 18 3.054 -41.461 -2.415 1.00 40.00 H new ATOM 0 HB3 ARG A 18 3.633 -42.373 -1.035 1.00 40.00 H new ATOM 0 HG2 ARG A 18 0.886 -42.141 -0.557 1.00 4.12 H new ATOM 0 HG3 ARG A 18 0.985 -42.365 -2.292 1.00 4.12 H new ATOM 0 HD2 ARG A 18 2.679 -44.139 -0.560 1.00 24.55 H new ATOM 0 HD3 ARG A 18 0.952 -44.433 -0.579 1.00 24.55 H new ATOM 0 HE ARG A 18 1.701 -44.213 -3.280 1.00 3.24 H new ATOM 0 HH11 ARG A 18 2.494 -46.236 -0.498 1.00 21.43 H new ATOM 0 HH12 ARG A 18 2.863 -47.652 -1.487 1.00 21.43 H new ATOM 0 HH21 ARG A 18 2.175 -46.037 -4.544 1.00 12.14 H new ATOM 0 HH22 ARG A 18 2.684 -47.541 -3.768 1.00 12.14 H new ATOM 273 N VAL A 19 3.823 -40.118 1.637 1.00 44.42 N ATOM 274 CA VAL A 19 4.924 -40.028 2.589 1.00 63.34 C ATOM 275 C VAL A 19 4.492 -40.495 3.974 1.00 0.12 C ATOM 276 O VAL A 19 3.305 -40.695 4.232 1.00 34.23 O ATOM 277 CB VAL A 19 5.464 -38.589 2.689 1.00 64.42 C ATOM 278 CG1 VAL A 19 6.399 -38.288 1.527 1.00 3.35 C ATOM 279 CG2 VAL A 19 4.317 -37.592 2.733 1.00 13.11 C ATOM 0 H VAL A 19 2.902 -39.949 2.040 1.00 44.42 H new ATOM 0 HA VAL A 19 5.716 -40.680 2.220 1.00 63.34 H new ATOM 0 HB VAL A 19 6.032 -38.496 3.615 1.00 64.42 H new ATOM 0 HG11 VAL A 19 6.771 -37.267 1.614 1.00 3.35 H new ATOM 0 HG12 VAL A 19 7.239 -38.983 1.546 1.00 3.35 H new ATOM 0 HG13 VAL A 19 5.858 -38.398 0.587 1.00 3.35 H new ATOM 0 HG21 VAL A 19 4.717 -36.580 2.804 1.00 13.11 H new ATOM 0 HG22 VAL A 19 3.720 -37.684 1.826 1.00 13.11 H new ATOM 0 HG23 VAL A 19 3.691 -37.796 3.601 1.00 13.11 H new ATOM 289 N THR A 20 5.464 -40.666 4.865 1.00 70.20 N ATOM 290 CA THR A 20 5.185 -41.110 6.225 1.00 51.21 C ATOM 291 C THR A 20 6.153 -40.479 7.219 1.00 41.52 C ATOM 292 O THR A 20 7.367 -40.510 7.021 1.00 22.32 O ATOM 293 CB THR A 20 5.271 -42.643 6.344 1.00 23.15 C ATOM 294 OG1 THR A 20 5.555 -43.014 7.698 1.00 12.43 O ATOM 295 CG2 THR A 20 6.349 -43.198 5.425 1.00 0.32 C ATOM 0 H THR A 20 6.452 -40.504 4.669 1.00 70.20 H new ATOM 0 HA THR A 20 4.169 -40.791 6.459 1.00 51.21 H new ATOM 0 HB THR A 20 4.310 -43.063 6.046 1.00 23.15 H new ATOM 0 HG1 THR A 20 6.452 -43.406 7.748 1.00 12.43 H new ATOM 0 HG21 THR A 20 6.391 -44.282 5.527 1.00 0.32 H new ATOM 0 HG22 THR A 20 6.115 -42.939 4.392 1.00 0.32 H new ATOM 0 HG23 THR A 20 7.314 -42.771 5.697 1.00 0.32 H new ATOM 303 N GLU A 21 5.608 -39.906 8.287 1.00 35.25 N ATOM 304 CA GLU A 21 6.425 -39.267 9.312 1.00 21.41 C ATOM 305 C GLU A 21 7.304 -40.292 10.023 1.00 4.14 C ATOM 306 O GLU A 21 8.436 -39.995 10.407 1.00 12.32 O ATOM 307 CB GLU A 21 5.537 -38.548 10.329 1.00 0.42 C ATOM 308 CG GLU A 21 6.242 -37.418 11.061 1.00 21.00 C ATOM 309 CD GLU A 21 6.401 -37.693 12.544 1.00 55.22 C ATOM 310 OE1 GLU A 21 5.759 -36.986 13.349 1.00 21.14 O ATOM 311 OE2 GLU A 21 7.165 -38.614 12.899 1.00 45.33 O ATOM 0 H GLU A 21 4.604 -39.871 8.465 1.00 35.25 H new ATOM 0 HA GLU A 21 7.070 -38.536 8.823 1.00 21.41 H new ATOM 0 HB2 GLU A 21 4.662 -38.148 9.816 1.00 0.42 H new ATOM 0 HB3 GLU A 21 5.175 -39.272 11.059 1.00 0.42 H new ATOM 0 HG2 GLU A 21 7.225 -37.260 10.617 1.00 21.00 H new ATOM 0 HG3 GLU A 21 5.679 -36.495 10.925 1.00 21.00 H new ATOM 318 N ASP A 22 6.776 -41.498 10.196 1.00 73.21 N ATOM 319 CA ASP A 22 7.512 -42.568 10.860 1.00 15.34 C ATOM 320 C ASP A 22 8.237 -43.442 9.842 1.00 1.04 C ATOM 321 O ASP A 22 7.939 -43.399 8.649 1.00 1.43 O ATOM 322 CB ASP A 22 6.562 -43.423 11.701 1.00 2.21 C ATOM 323 CG ASP A 22 6.466 -42.941 13.136 1.00 62.45 C ATOM 324 OD1 ASP A 22 6.194 -43.775 14.025 1.00 62.43 O ATOM 325 OD2 ASP A 22 6.664 -41.731 13.369 1.00 12.11 O ATOM 0 H ASP A 22 5.840 -41.760 9.886 1.00 73.21 H new ATOM 0 HA ASP A 22 8.255 -42.113 11.515 1.00 15.34 H new ATOM 0 HB2 ASP A 22 5.570 -43.410 11.249 1.00 2.21 H new ATOM 0 HB3 ASP A 22 6.904 -44.458 11.690 1.00 2.21 H new ATOM 330 N GLU A 23 9.191 -44.234 10.323 1.00 51.42 N ATOM 331 CA GLU A 23 9.960 -45.116 9.453 1.00 31.34 C ATOM 332 C GLU A 23 9.277 -46.474 9.316 1.00 64.21 C ATOM 333 O GLU A 23 9.313 -47.094 8.254 1.00 41.23 O ATOM 334 CB GLU A 23 11.377 -45.299 10.000 1.00 44.31 C ATOM 335 CG GLU A 23 11.423 -45.977 11.359 1.00 63.24 C ATOM 336 CD GLU A 23 12.603 -45.525 12.197 1.00 63.32 C ATOM 337 OE1 GLU A 23 13.493 -46.359 12.466 1.00 64.35 O ATOM 338 OE2 GLU A 23 12.637 -44.339 12.584 1.00 11.32 O ATOM 0 H GLU A 23 9.449 -44.283 11.309 1.00 51.42 H new ATOM 0 HA GLU A 23 10.016 -44.655 8.467 1.00 31.34 H new ATOM 0 HB2 GLU A 23 11.958 -45.888 9.290 1.00 44.31 H new ATOM 0 HB3 GLU A 23 11.858 -44.323 10.074 1.00 44.31 H new ATOM 0 HG2 GLU A 23 10.499 -45.767 11.897 1.00 63.24 H new ATOM 0 HG3 GLU A 23 11.473 -47.057 11.221 1.00 63.24 H new ATOM 345 N ASN A 24 8.657 -46.930 10.399 1.00 74.30 N ATOM 346 CA ASN A 24 7.967 -48.215 10.400 1.00 34.14 C ATOM 347 C ASN A 24 6.549 -48.072 9.855 1.00 40.02 C ATOM 348 O ASN A 24 5.987 -49.018 9.303 1.00 72.01 O ATOM 349 CB ASN A 24 7.924 -48.793 11.816 1.00 21.24 C ATOM 350 CG ASN A 24 7.017 -48.001 12.737 1.00 14.34 C ATOM 351 OD1 ASN A 24 7.432 -47.005 13.331 1.00 62.41 O ATOM 352 ND2 ASN A 24 5.770 -48.440 12.861 1.00 75.33 N ATOM 0 H ASN A 24 8.618 -46.429 11.287 1.00 74.30 H new ATOM 0 HA ASN A 24 8.519 -48.896 9.753 1.00 34.14 H new ATOM 0 HB2 ASN A 24 7.580 -49.827 11.773 1.00 21.24 H new ATOM 0 HB3 ASN A 24 8.932 -48.809 12.230 1.00 21.24 H new ATOM 0 HD21 ASN A 24 5.114 -47.947 13.467 1.00 75.33 H new ATOM 0 HD22 ASN A 24 5.468 -49.270 12.350 1.00 75.33 H new ATOM 359 N ASP A 25 5.978 -46.883 10.013 1.00 73.14 N ATOM 360 CA ASP A 25 4.626 -46.615 9.535 1.00 44.35 C ATOM 361 C ASP A 25 4.600 -46.507 8.013 1.00 34.30 C ATOM 362 O ASP A 25 5.485 -45.904 7.409 1.00 43.42 O ATOM 363 CB ASP A 25 4.088 -45.326 10.159 1.00 61.33 C ATOM 364 CG ASP A 25 2.580 -45.343 10.312 1.00 30.53 C ATOM 365 OD1 ASP A 25 2.099 -45.263 11.462 1.00 24.34 O ATOM 366 OD2 ASP A 25 1.880 -45.436 9.282 1.00 22.24 O ATOM 0 H ASP A 25 6.430 -46.090 10.468 1.00 73.14 H new ATOM 0 HA ASP A 25 3.989 -47.448 9.834 1.00 44.35 H new ATOM 0 HB2 ASP A 25 4.548 -45.179 11.136 1.00 61.33 H new ATOM 0 HB3 ASP A 25 4.378 -44.477 9.540 1.00 61.33 H new ATOM 371 N GLU A 26 3.578 -47.098 7.401 1.00 70.01 N ATOM 372 CA GLU A 26 3.438 -47.070 5.950 1.00 51.22 C ATOM 373 C GLU A 26 3.234 -45.642 5.451 1.00 63.24 C ATOM 374 O GLU A 26 2.774 -44.763 6.179 1.00 43.41 O ATOM 375 CB GLU A 26 2.264 -47.947 5.511 1.00 33.43 C ATOM 376 CG GLU A 26 2.618 -49.420 5.385 1.00 41.52 C ATOM 377 CD GLU A 26 1.490 -50.331 5.827 1.00 71.33 C ATOM 378 OE1 GLU A 26 1.591 -50.907 6.931 1.00 52.34 O ATOM 379 OE2 GLU A 26 0.507 -50.470 5.069 1.00 11.33 O ATOM 0 H GLU A 26 2.836 -47.601 7.887 1.00 70.01 H new ATOM 0 HA GLU A 26 4.357 -47.462 5.515 1.00 51.22 H new ATOM 0 HB2 GLU A 26 1.451 -47.837 6.229 1.00 33.43 H new ATOM 0 HB3 GLU A 26 1.892 -47.588 4.551 1.00 33.43 H new ATOM 0 HG2 GLU A 26 2.874 -49.641 4.349 1.00 41.52 H new ATOM 0 HG3 GLU A 26 3.505 -49.629 5.984 1.00 41.52 H new ATOM 386 N PRO A 27 3.585 -45.405 4.178 1.00 64.21 N ATOM 387 CA PRO A 27 3.451 -44.086 3.552 1.00 33.50 C ATOM 388 C PRO A 27 1.994 -43.699 3.325 1.00 14.41 C ATOM 389 O PRO A 27 1.298 -44.311 2.515 1.00 74.32 O ATOM 390 CB PRO A 27 4.174 -44.254 2.214 1.00 43.55 C ATOM 391 CG PRO A 27 4.094 -45.712 1.919 1.00 2.30 C ATOM 392 CD PRO A 27 4.140 -46.406 3.252 1.00 65.52 C ATOM 0 HA PRO A 27 3.862 -43.294 4.177 1.00 33.50 H new ATOM 0 HB2 PRO A 27 3.698 -43.665 1.430 1.00 43.55 H new ATOM 0 HB3 PRO A 27 5.209 -43.920 2.279 1.00 43.55 H new ATOM 0 HG2 PRO A 27 3.175 -45.952 1.385 1.00 2.30 H new ATOM 0 HG3 PRO A 27 4.923 -46.028 1.285 1.00 2.30 H new ATOM 0 HD2 PRO A 27 3.549 -47.322 3.249 1.00 65.52 H new ATOM 0 HD3 PRO A 27 5.158 -46.685 3.525 1.00 65.52 H new ATOM 400 N ILE A 28 1.539 -42.678 4.045 1.00 72.44 N ATOM 401 CA ILE A 28 0.165 -42.209 3.920 1.00 54.43 C ATOM 402 C ILE A 28 -0.054 -41.495 2.590 1.00 62.33 C ATOM 403 O ILE A 28 0.835 -40.806 2.091 1.00 64.30 O ATOM 404 CB ILE A 28 -0.211 -41.254 5.069 1.00 62.51 C ATOM 405 CG1 ILE A 28 -1.656 -40.776 4.912 1.00 23.12 C ATOM 406 CG2 ILE A 28 0.744 -40.070 5.107 1.00 33.44 C ATOM 407 CD1 ILE A 28 -2.674 -41.892 4.993 1.00 42.12 C ATOM 0 H ILE A 28 2.102 -42.161 4.720 1.00 72.44 H new ATOM 0 HA ILE A 28 -0.474 -43.091 3.966 1.00 54.43 H new ATOM 0 HB ILE A 28 -0.128 -41.793 6.013 1.00 62.51 H new ATOM 0 HG12 ILE A 28 -1.873 -40.040 5.687 1.00 23.12 H new ATOM 0 HG13 ILE A 28 -1.760 -40.269 3.953 1.00 23.12 H new ATOM 0 HG21 ILE A 28 0.466 -39.404 5.924 1.00 33.44 H new ATOM 0 HG22 ILE A 28 1.762 -40.428 5.262 1.00 33.44 H new ATOM 0 HG23 ILE A 28 0.690 -39.528 4.163 1.00 33.44 H new ATOM 0 HD11 ILE A 28 -3.676 -41.480 4.874 1.00 42.12 H new ATOM 0 HD12 ILE A 28 -2.483 -42.617 4.202 1.00 42.12 H new ATOM 0 HD13 ILE A 28 -2.598 -42.385 5.962 1.00 42.12 H new ATOM 419 N GLU A 29 -1.244 -41.665 2.022 1.00 42.31 N ATOM 420 CA GLU A 29 -1.579 -41.036 0.750 1.00 40.42 C ATOM 421 C GLU A 29 -2.512 -39.847 0.960 1.00 54.11 C ATOM 422 O GLU A 29 -3.652 -40.009 1.397 1.00 31.01 O ATOM 423 CB GLU A 29 -2.232 -42.051 -0.190 1.00 71.12 C ATOM 424 CG GLU A 29 -3.460 -42.725 0.400 1.00 44.23 C ATOM 425 CD GLU A 29 -4.710 -42.484 -0.424 1.00 63.21 C ATOM 426 OE1 GLU A 29 -5.789 -42.299 0.177 1.00 61.42 O ATOM 427 OE2 GLU A 29 -4.609 -42.481 -1.669 1.00 13.23 O ATOM 0 H GLU A 29 -1.991 -42.232 2.422 1.00 42.31 H new ATOM 0 HA GLU A 29 -0.655 -40.675 0.298 1.00 40.42 H new ATOM 0 HB2 GLU A 29 -2.513 -41.548 -1.115 1.00 71.12 H new ATOM 0 HB3 GLU A 29 -1.500 -42.814 -0.452 1.00 71.12 H new ATOM 0 HG2 GLU A 29 -3.280 -43.797 0.475 1.00 44.23 H new ATOM 0 HG3 GLU A 29 -3.621 -42.357 1.413 1.00 44.23 H new ATOM 434 N ILE A 30 -2.020 -38.653 0.646 1.00 74.20 N ATOM 435 CA ILE A 30 -2.810 -37.438 0.800 1.00 41.44 C ATOM 436 C ILE A 30 -2.995 -36.730 -0.538 1.00 53.32 C ATOM 437 O ILE A 30 -2.204 -36.889 -1.468 1.00 2.42 O ATOM 438 CB ILE A 30 -2.155 -36.463 1.797 1.00 72.43 C ATOM 439 CG1 ILE A 30 -0.697 -36.856 2.045 1.00 73.34 C ATOM 440 CG2 ILE A 30 -2.933 -36.441 3.104 1.00 71.20 C ATOM 441 CD1 ILE A 30 0.112 -35.776 2.727 1.00 11.03 C ATOM 0 H ILE A 30 -1.079 -38.501 0.284 1.00 74.20 H new ATOM 0 HA ILE A 30 -3.783 -37.741 1.186 1.00 41.44 H new ATOM 0 HB ILE A 30 -2.174 -35.461 1.369 1.00 72.43 H new ATOM 0 HG12 ILE A 30 -0.671 -37.758 2.656 1.00 73.34 H new ATOM 0 HG13 ILE A 30 -0.229 -37.103 1.092 1.00 73.34 H new ATOM 0 HG21 ILE A 30 -2.458 -35.748 3.798 1.00 71.20 H new ATOM 0 HG22 ILE A 30 -3.957 -36.119 2.913 1.00 71.20 H new ATOM 0 HG23 ILE A 30 -2.942 -37.441 3.539 1.00 71.20 H new ATOM 0 HD11 ILE A 30 1.135 -36.124 2.871 1.00 11.03 H new ATOM 0 HD12 ILE A 30 0.117 -34.879 2.107 1.00 11.03 H new ATOM 0 HD13 ILE A 30 -0.332 -35.545 3.695 1.00 11.03 H new ATOM 453 N PRO A 31 -4.065 -35.927 -0.640 1.00 32.23 N ATOM 454 CA PRO A 31 -4.379 -35.176 -1.859 1.00 62.41 C ATOM 455 C PRO A 31 -3.386 -34.048 -2.117 1.00 22.24 C ATOM 456 O PRO A 31 -2.912 -33.401 -1.183 1.00 41.52 O ATOM 457 CB PRO A 31 -5.772 -34.608 -1.578 1.00 31.55 C ATOM 458 CG PRO A 31 -5.857 -34.533 -0.092 1.00 54.01 C ATOM 459 CD PRO A 31 -5.051 -35.691 0.428 1.00 10.43 C ATOM 0 HA PRO A 31 -4.332 -35.805 -2.748 1.00 62.41 H new ATOM 0 HB2 PRO A 31 -5.898 -33.625 -2.032 1.00 31.55 H new ATOM 0 HB3 PRO A 31 -6.552 -35.250 -1.987 1.00 31.55 H new ATOM 0 HG2 PRO A 31 -5.461 -33.586 0.274 1.00 54.01 H new ATOM 0 HG3 PRO A 31 -6.892 -34.596 0.243 1.00 54.01 H new ATOM 0 HD2 PRO A 31 -4.568 -35.451 1.375 1.00 10.43 H new ATOM 0 HD3 PRO A 31 -5.674 -36.569 0.601 1.00 10.43 H new ATOM 467 N SER A 32 -3.075 -33.818 -3.388 1.00 54.04 N ATOM 468 CA SER A 32 -2.136 -32.770 -3.768 1.00 43.42 C ATOM 469 C SER A 32 -2.725 -31.881 -4.859 1.00 53.21 C ATOM 470 O SER A 32 -3.660 -32.274 -5.556 1.00 15.53 O ATOM 471 CB SER A 32 -0.821 -33.384 -4.251 1.00 24.52 C ATOM 472 OG SER A 32 -0.823 -33.555 -5.658 1.00 13.14 O ATOM 0 H SER A 32 -3.460 -34.344 -4.173 1.00 54.04 H new ATOM 0 HA SER A 32 -1.941 -32.156 -2.889 1.00 43.42 H new ATOM 0 HB2 SER A 32 0.011 -32.743 -3.961 1.00 24.52 H new ATOM 0 HB3 SER A 32 -0.666 -34.347 -3.765 1.00 24.52 H new ATOM 0 HG SER A 32 -1.582 -34.117 -5.918 1.00 13.14 H new ATOM 478 N GLU A 33 -2.171 -30.681 -5.000 1.00 45.03 N ATOM 479 CA GLU A 33 -2.642 -29.736 -6.006 1.00 1.23 C ATOM 480 C GLU A 33 -2.411 -30.278 -7.413 1.00 63.12 C ATOM 481 O GLU A 33 -1.617 -31.198 -7.613 1.00 32.02 O ATOM 482 CB GLU A 33 -1.934 -28.389 -5.843 1.00 64.25 C ATOM 483 CG GLU A 33 -2.698 -27.400 -4.979 1.00 44.15 C ATOM 484 CD GLU A 33 -1.964 -26.083 -4.813 1.00 55.13 C ATOM 485 OE1 GLU A 33 -1.626 -25.459 -5.841 1.00 62.42 O ATOM 486 OE2 GLU A 33 -1.729 -25.676 -3.657 1.00 12.05 O ATOM 0 H GLU A 33 -1.396 -30.340 -4.431 1.00 45.03 H new ATOM 0 HA GLU A 33 -3.713 -29.595 -5.862 1.00 1.23 H new ATOM 0 HB2 GLU A 33 -0.950 -28.556 -5.405 1.00 64.25 H new ATOM 0 HB3 GLU A 33 -1.775 -27.950 -6.828 1.00 64.25 H new ATOM 0 HG2 GLU A 33 -3.675 -27.214 -5.424 1.00 44.15 H new ATOM 0 HG3 GLU A 33 -2.873 -27.840 -3.997 1.00 44.15 H new ATOM 493 N ASP A 34 -3.110 -29.702 -8.385 1.00 24.02 N ATOM 494 CA ASP A 34 -2.981 -30.126 -9.774 1.00 71.31 C ATOM 495 C ASP A 34 -1.578 -29.843 -10.301 1.00 62.22 C ATOM 496 O ASP A 34 -1.025 -30.625 -11.076 1.00 15.24 O ATOM 497 CB ASP A 34 -4.019 -29.416 -10.645 1.00 31.34 C ATOM 498 CG ASP A 34 -3.814 -27.915 -10.682 1.00 1.32 C ATOM 499 OD1 ASP A 34 -3.169 -27.427 -11.634 1.00 0.03 O ATOM 500 OD2 ASP A 34 -4.299 -27.227 -9.759 1.00 71.13 O ATOM 0 H ASP A 34 -3.772 -28.940 -8.236 1.00 24.02 H new ATOM 0 HA ASP A 34 -3.156 -31.201 -9.817 1.00 71.31 H new ATOM 0 HB2 ASP A 34 -3.970 -29.812 -11.659 1.00 31.34 H new ATOM 0 HB3 ASP A 34 -5.017 -29.634 -10.266 1.00 31.34 H new ATOM 505 N ASP A 35 -1.008 -28.721 -9.877 1.00 45.11 N ATOM 506 CA ASP A 35 0.332 -28.334 -10.306 1.00 75.22 C ATOM 507 C ASP A 35 1.370 -29.340 -9.819 1.00 11.12 C ATOM 508 O ASP A 35 2.486 -29.395 -10.334 1.00 54.23 O ATOM 509 CB ASP A 35 0.673 -26.937 -9.786 1.00 62.03 C ATOM 510 CG ASP A 35 1.532 -26.152 -10.758 1.00 4.12 C ATOM 511 OD1 ASP A 35 1.403 -24.910 -10.796 1.00 35.24 O ATOM 512 OD2 ASP A 35 2.335 -26.779 -11.480 1.00 2.13 O ATOM 0 H ASP A 35 -1.452 -28.063 -9.237 1.00 45.11 H new ATOM 0 HA ASP A 35 0.349 -28.321 -11.396 1.00 75.22 H new ATOM 0 HB2 ASP A 35 -0.249 -26.388 -9.595 1.00 62.03 H new ATOM 0 HB3 ASP A 35 1.195 -27.024 -8.833 1.00 62.03 H new ATOM 517 N GLY A 36 0.995 -30.134 -8.820 1.00 54.14 N ATOM 518 CA GLY A 36 1.905 -31.126 -8.279 1.00 41.11 C ATOM 519 C GLY A 36 2.217 -30.889 -6.815 1.00 35.24 C ATOM 520 O GLY A 36 2.479 -31.832 -6.067 1.00 13.11 O ATOM 0 H GLY A 36 0.077 -30.107 -8.376 1.00 54.14 H new ATOM 0 HA2 GLY A 36 1.469 -32.118 -8.398 1.00 41.11 H new ATOM 0 HA3 GLY A 36 2.832 -31.114 -8.852 1.00 41.11 H new ATOM 524 N THR A 37 2.190 -29.626 -6.402 1.00 51.42 N ATOM 525 CA THR A 37 2.474 -29.267 -5.018 1.00 63.15 C ATOM 526 C THR A 37 1.396 -29.798 -4.080 1.00 42.53 C ATOM 527 O THR A 37 0.528 -30.569 -4.489 1.00 24.22 O ATOM 528 CB THR A 37 2.584 -27.741 -4.845 1.00 2.51 C ATOM 529 OG1 THR A 37 1.299 -27.134 -5.017 1.00 75.01 O ATOM 530 CG2 THR A 37 3.567 -27.151 -5.846 1.00 33.42 C ATOM 0 H THR A 37 1.974 -28.834 -7.007 1.00 51.42 H new ATOM 0 HA THR A 37 3.430 -29.724 -4.763 1.00 63.15 H new ATOM 0 HB THR A 37 2.949 -27.538 -3.838 1.00 2.51 H new ATOM 0 HG1 THR A 37 1.396 -26.299 -5.521 1.00 75.01 H new ATOM 0 HG21 THR A 37 3.627 -26.072 -5.704 1.00 33.42 H new ATOM 0 HG22 THR A 37 4.552 -27.593 -5.693 1.00 33.42 H new ATOM 0 HG23 THR A 37 3.227 -27.365 -6.859 1.00 33.42 H new ATOM 538 N VAL A 38 1.456 -29.378 -2.820 1.00 62.43 N ATOM 539 CA VAL A 38 0.483 -29.810 -1.824 1.00 23.12 C ATOM 540 C VAL A 38 0.067 -28.652 -0.924 1.00 51.23 C ATOM 541 O VAL A 38 0.912 -27.947 -0.371 1.00 15.44 O ATOM 542 CB VAL A 38 1.042 -30.949 -0.950 1.00 42.12 C ATOM 543 CG1 VAL A 38 0.121 -31.218 0.230 1.00 4.22 C ATOM 544 CG2 VAL A 38 1.240 -32.208 -1.780 1.00 64.31 C ATOM 0 H VAL A 38 2.168 -28.739 -2.465 1.00 62.43 H new ATOM 0 HA VAL A 38 -0.388 -30.174 -2.369 1.00 23.12 H new ATOM 0 HB VAL A 38 2.012 -30.642 -0.560 1.00 42.12 H new ATOM 0 HG11 VAL A 38 0.532 -32.025 0.836 1.00 4.22 H new ATOM 0 HG12 VAL A 38 0.035 -30.317 0.837 1.00 4.22 H new ATOM 0 HG13 VAL A 38 -0.865 -31.505 -0.136 1.00 4.22 H new ATOM 0 HG21 VAL A 38 1.635 -33.003 -1.147 1.00 64.31 H new ATOM 0 HG22 VAL A 38 0.284 -32.521 -2.200 1.00 64.31 H new ATOM 0 HG23 VAL A 38 1.943 -32.004 -2.588 1.00 64.31 H new ATOM 554 N LEU A 39 -1.240 -28.461 -0.782 1.00 41.32 N ATOM 555 CA LEU A 39 -1.770 -27.387 0.051 1.00 30.34 C ATOM 556 C LEU A 39 -1.412 -27.609 1.517 1.00 0.04 C ATOM 557 O LEU A 39 -1.508 -28.725 2.029 1.00 35.23 O ATOM 558 CB LEU A 39 -3.289 -27.295 -0.106 1.00 62.12 C ATOM 559 CG LEU A 39 -3.858 -25.891 -0.310 1.00 15.24 C ATOM 560 CD1 LEU A 39 -5.351 -25.956 -0.595 1.00 21.34 C ATOM 561 CD2 LEU A 39 -3.584 -25.022 0.909 1.00 30.13 C ATOM 0 H LEU A 39 -1.952 -29.036 -1.233 1.00 41.32 H new ATOM 0 HA LEU A 39 -1.320 -26.450 -0.277 1.00 30.34 H new ATOM 0 HB2 LEU A 39 -3.585 -27.912 -0.954 1.00 62.12 H new ATOM 0 HB3 LEU A 39 -3.753 -27.728 0.780 1.00 62.12 H new ATOM 0 HG LEU A 39 -3.363 -25.441 -1.171 1.00 15.24 H new ATOM 0 HD11 LEU A 39 -5.738 -24.947 -0.737 1.00 21.34 H new ATOM 0 HD12 LEU A 39 -5.524 -26.542 -1.498 1.00 21.34 H new ATOM 0 HD13 LEU A 39 -5.862 -26.426 0.246 1.00 21.34 H new ATOM 0 HD21 LEU A 39 -3.996 -24.026 0.746 1.00 30.13 H new ATOM 0 HD22 LEU A 39 -4.051 -25.469 1.787 1.00 30.13 H new ATOM 0 HD23 LEU A 39 -2.508 -24.948 1.069 1.00 30.13 H new ATOM 573 N LEU A 40 -1.000 -26.539 2.189 1.00 74.13 N ATOM 574 CA LEU A 40 -0.630 -26.616 3.598 1.00 41.33 C ATOM 575 C LEU A 40 -1.710 -27.327 4.407 1.00 40.42 C ATOM 576 O LEU A 40 -1.410 -28.128 5.292 1.00 52.21 O ATOM 577 CB LEU A 40 -0.395 -25.213 4.161 1.00 53.24 C ATOM 578 CG LEU A 40 0.248 -25.144 5.546 1.00 65.51 C ATOM 579 CD1 LEU A 40 1.521 -25.977 5.585 1.00 54.11 C ATOM 580 CD2 LEU A 40 0.542 -23.701 5.927 1.00 13.31 C ATOM 0 H LEU A 40 -0.914 -25.608 1.781 1.00 74.13 H new ATOM 0 HA LEU A 40 0.293 -27.191 3.675 1.00 41.33 H new ATOM 0 HB2 LEU A 40 0.236 -24.664 3.462 1.00 53.24 H new ATOM 0 HB3 LEU A 40 -1.353 -24.694 4.201 1.00 53.24 H new ATOM 0 HG LEU A 40 -0.454 -25.554 6.272 1.00 65.51 H new ATOM 0 HD11 LEU A 40 1.965 -25.916 6.578 1.00 54.11 H new ATOM 0 HD12 LEU A 40 1.283 -27.016 5.357 1.00 54.11 H new ATOM 0 HD13 LEU A 40 2.228 -25.596 4.848 1.00 54.11 H new ATOM 0 HD21 LEU A 40 0.999 -23.672 6.916 1.00 13.31 H new ATOM 0 HD22 LEU A 40 1.225 -23.264 5.198 1.00 13.31 H new ATOM 0 HD23 LEU A 40 -0.387 -23.132 5.940 1.00 13.31 H new ATOM 592 N SER A 41 -2.968 -27.029 4.095 1.00 25.34 N ATOM 593 CA SER A 41 -4.093 -27.639 4.795 1.00 43.23 C ATOM 594 C SER A 41 -3.977 -29.160 4.788 1.00 70.03 C ATOM 595 O SER A 41 -4.354 -29.828 5.751 1.00 21.21 O ATOM 596 CB SER A 41 -5.413 -27.213 4.149 1.00 63.32 C ATOM 597 OG SER A 41 -5.687 -25.846 4.402 1.00 33.44 O ATOM 0 H SER A 41 -3.233 -26.370 3.363 1.00 25.34 H new ATOM 0 HA SER A 41 -4.075 -27.296 5.830 1.00 43.23 H new ATOM 0 HB2 SER A 41 -5.367 -27.385 3.074 1.00 63.32 H new ATOM 0 HB3 SER A 41 -6.226 -27.828 4.536 1.00 63.32 H new ATOM 0 HG SER A 41 -6.535 -25.598 3.977 1.00 33.44 H new ATOM 603 N THR A 42 -3.453 -29.702 3.693 1.00 63.40 N ATOM 604 CA THR A 42 -3.288 -31.144 3.558 1.00 23.21 C ATOM 605 C THR A 42 -2.155 -31.653 4.442 1.00 30.13 C ATOM 606 O THR A 42 -2.266 -32.711 5.063 1.00 45.41 O ATOM 607 CB THR A 42 -3.003 -31.543 2.098 1.00 44.22 C ATOM 608 OG1 THR A 42 -4.018 -31.014 1.238 1.00 34.03 O ATOM 609 CG2 THR A 42 -2.944 -33.056 1.951 1.00 14.15 C ATOM 0 H THR A 42 -3.136 -29.164 2.887 1.00 63.40 H new ATOM 0 HA THR A 42 -4.226 -31.600 3.875 1.00 23.21 H new ATOM 0 HB THR A 42 -2.035 -31.129 1.814 1.00 44.22 H new ATOM 0 HG1 THR A 42 -3.828 -31.271 0.311 1.00 34.03 H new ATOM 0 HG21 THR A 42 -2.742 -33.313 0.911 1.00 14.15 H new ATOM 0 HG22 THR A 42 -2.150 -33.452 2.584 1.00 14.15 H new ATOM 0 HG23 THR A 42 -3.898 -33.488 2.252 1.00 14.15 H new ATOM 617 N VAL A 43 -1.066 -30.893 4.496 1.00 25.42 N ATOM 618 CA VAL A 43 0.088 -31.267 5.307 1.00 54.04 C ATOM 619 C VAL A 43 -0.277 -31.329 6.786 1.00 71.04 C ATOM 620 O VAL A 43 0.258 -32.146 7.535 1.00 22.43 O ATOM 621 CB VAL A 43 1.251 -30.276 5.117 1.00 24.02 C ATOM 622 CG1 VAL A 43 2.196 -30.328 6.308 1.00 64.11 C ATOM 623 CG2 VAL A 43 1.995 -30.569 3.823 1.00 72.12 C ATOM 0 H VAL A 43 -0.958 -30.015 3.988 1.00 25.42 H new ATOM 0 HA VAL A 43 0.404 -32.255 4.973 1.00 54.04 H new ATOM 0 HB VAL A 43 0.840 -29.268 5.053 1.00 24.02 H new ATOM 0 HG11 VAL A 43 3.012 -29.621 6.156 1.00 64.11 H new ATOM 0 HG12 VAL A 43 1.652 -30.065 7.216 1.00 64.11 H new ATOM 0 HG13 VAL A 43 2.602 -31.335 6.407 1.00 64.11 H new ATOM 0 HG21 VAL A 43 2.814 -29.859 3.705 1.00 72.12 H new ATOM 0 HG22 VAL A 43 2.395 -31.582 3.855 1.00 72.12 H new ATOM 0 HG23 VAL A 43 1.310 -30.476 2.980 1.00 72.12 H new ATOM 633 N THR A 44 -1.193 -30.459 7.201 1.00 60.33 N ATOM 634 CA THR A 44 -1.630 -30.414 8.590 1.00 24.25 C ATOM 635 C THR A 44 -2.607 -31.543 8.897 1.00 53.14 C ATOM 636 O THR A 44 -2.638 -32.065 10.010 1.00 22.43 O ATOM 637 CB THR A 44 -2.297 -29.067 8.926 1.00 21.02 C ATOM 638 OG1 THR A 44 -3.565 -28.971 8.269 1.00 74.42 O ATOM 639 CG2 THR A 44 -1.412 -27.904 8.503 1.00 23.41 C ATOM 0 H THR A 44 -1.646 -29.776 6.594 1.00 60.33 H new ATOM 0 HA THR A 44 -0.738 -30.533 9.205 1.00 24.25 H new ATOM 0 HB THR A 44 -2.443 -29.018 10.005 1.00 21.02 H new ATOM 0 HG1 THR A 44 -3.503 -29.375 7.378 1.00 74.42 H new ATOM 0 HG21 THR A 44 -1.904 -26.963 8.750 1.00 23.41 H new ATOM 0 HG22 THR A 44 -0.458 -27.963 9.027 1.00 23.41 H new ATOM 0 HG23 THR A 44 -1.239 -27.951 7.428 1.00 23.41 H new ATOM 647 N ALA A 45 -3.405 -31.915 7.901 1.00 41.13 N ATOM 648 CA ALA A 45 -4.382 -32.984 8.063 1.00 32.14 C ATOM 649 C ALA A 45 -3.734 -34.237 8.644 1.00 51.44 C ATOM 650 O ALA A 45 -4.249 -34.831 9.590 1.00 14.53 O ATOM 651 CB ALA A 45 -5.046 -33.300 6.731 1.00 2.21 C ATOM 0 H ALA A 45 -3.394 -31.491 6.973 1.00 41.13 H new ATOM 0 HA ALA A 45 -5.144 -32.642 8.764 1.00 32.14 H new ATOM 0 HB1 ALA A 45 -5.773 -34.100 6.868 1.00 2.21 H new ATOM 0 HB2 ALA A 45 -5.552 -32.410 6.356 1.00 2.21 H new ATOM 0 HB3 ALA A 45 -4.289 -33.616 6.013 1.00 2.21 H new ATOM 657 N GLN A 46 -2.603 -34.632 8.069 1.00 24.13 N ATOM 658 CA GLN A 46 -1.886 -35.815 8.530 1.00 62.43 C ATOM 659 C GLN A 46 -0.704 -35.427 9.412 1.00 13.04 C ATOM 660 O GLN A 46 -0.329 -36.164 10.324 1.00 24.12 O ATOM 661 CB GLN A 46 -1.397 -36.638 7.336 1.00 32.13 C ATOM 662 CG GLN A 46 -2.148 -37.947 7.152 1.00 63.14 C ATOM 663 CD GLN A 46 -1.533 -39.088 7.938 1.00 32.20 C ATOM 664 OE1 GLN A 46 -0.225 -39.269 7.796 1.00 51.13 O flip ATOM 665 NE2 GLN A 46 -2.226 -39.800 8.666 1.00 54.24 N flip ATOM 0 H GLN A 46 -2.164 -34.151 7.284 1.00 24.13 H new ATOM 0 HA GLN A 46 -2.575 -36.418 9.122 1.00 62.43 H new ATOM 0 HB2 GLN A 46 -1.496 -36.041 6.429 1.00 32.13 H new ATOM 0 HB3 GLN A 46 -0.336 -36.852 7.463 1.00 32.13 H new ATOM 0 HG2 GLN A 46 -3.184 -37.814 7.463 1.00 63.14 H new ATOM 0 HG3 GLN A 46 -2.164 -38.207 6.094 1.00 63.14 H new ATOM 0 HE21 GLN A 46 -3.228 -39.626 8.746 1.00 54.24 H new ATOM 0 HE22 GLN A 46 -1.798 -40.564 9.189 1.00 54.24 H new ATOM 674 N PHE A 47 -0.122 -34.265 9.135 1.00 21.14 N ATOM 675 CA PHE A 47 1.018 -33.779 9.904 1.00 63.14 C ATOM 676 C PHE A 47 0.728 -32.403 10.496 1.00 21.35 C ATOM 677 O PHE A 47 1.203 -31.377 10.010 1.00 41.01 O ATOM 678 CB PHE A 47 2.265 -33.713 9.019 1.00 23.13 C ATOM 679 CG PHE A 47 2.336 -34.814 8.000 1.00 51.44 C ATOM 680 CD1 PHE A 47 2.578 -34.526 6.666 1.00 23.11 C ATOM 681 CD2 PHE A 47 2.159 -36.136 8.375 1.00 44.24 C ATOM 682 CE1 PHE A 47 2.644 -35.536 5.725 1.00 23.52 C ATOM 683 CE2 PHE A 47 2.225 -37.150 7.438 1.00 32.44 C ATOM 684 CZ PHE A 47 2.466 -36.850 6.112 1.00 62.31 C ATOM 0 H PHE A 47 -0.421 -33.643 8.384 1.00 21.14 H new ATOM 0 HA PHE A 47 1.197 -34.477 10.722 1.00 63.14 H new ATOM 0 HB2 PHE A 47 2.286 -32.752 8.506 1.00 23.13 H new ATOM 0 HB3 PHE A 47 3.152 -33.756 9.651 1.00 23.13 H new ATOM 0 HD1 PHE A 47 2.717 -33.500 6.358 1.00 23.11 H new ATOM 0 HD2 PHE A 47 1.967 -36.377 9.410 1.00 44.24 H new ATOM 0 HE1 PHE A 47 2.834 -35.298 4.689 1.00 23.52 H new ATOM 0 HE2 PHE A 47 2.088 -38.177 7.743 1.00 32.44 H new ATOM 0 HZ PHE A 47 2.515 -37.641 5.379 1.00 62.31 H new ATOM 694 N PRO A 48 -0.072 -32.380 11.573 1.00 24.31 N ATOM 695 CA PRO A 48 -0.444 -31.138 12.256 1.00 1.12 C ATOM 696 C PRO A 48 0.732 -30.508 12.995 1.00 40.44 C ATOM 697 O PRO A 48 1.420 -31.172 13.768 1.00 32.24 O ATOM 698 CB PRO A 48 -1.519 -31.587 13.248 1.00 35.23 C ATOM 699 CG PRO A 48 -1.228 -33.027 13.496 1.00 33.04 C ATOM 700 CD PRO A 48 -0.674 -33.566 12.207 1.00 45.54 C ATOM 0 HA PRO A 48 -0.782 -30.374 11.556 1.00 1.12 H new ATOM 0 HB2 PRO A 48 -1.472 -31.009 14.171 1.00 35.23 H new ATOM 0 HB3 PRO A 48 -2.519 -31.450 12.837 1.00 35.23 H new ATOM 0 HG2 PRO A 48 -0.511 -33.146 14.309 1.00 33.04 H new ATOM 0 HG3 PRO A 48 -2.131 -33.563 13.787 1.00 33.04 H new ATOM 0 HD2 PRO A 48 0.066 -34.347 12.383 1.00 45.54 H new ATOM 0 HD3 PRO A 48 -1.456 -34.002 11.584 1.00 45.54 H new ATOM 708 N GLY A 49 0.957 -29.220 12.750 1.00 20.14 N ATOM 709 CA GLY A 49 2.051 -28.522 13.401 1.00 55.25 C ATOM 710 C GLY A 49 3.326 -28.553 12.582 1.00 2.14 C ATOM 711 O GLY A 49 4.157 -27.651 12.682 1.00 43.23 O ATOM 0 H GLY A 49 0.402 -28.648 12.113 1.00 20.14 H new ATOM 0 HA2 GLY A 49 1.762 -27.486 13.579 1.00 55.25 H new ATOM 0 HA3 GLY A 49 2.237 -28.973 14.375 1.00 55.25 H new ATOM 715 N ALA A 50 3.483 -29.595 11.773 1.00 73.13 N ATOM 716 CA ALA A 50 4.666 -29.740 10.934 1.00 1.01 C ATOM 717 C ALA A 50 4.919 -28.477 10.118 1.00 11.44 C ATOM 718 O ALA A 50 4.065 -28.047 9.341 1.00 25.11 O ATOM 719 CB ALA A 50 4.517 -30.943 10.015 1.00 64.22 C ATOM 0 H ALA A 50 2.805 -30.352 11.681 1.00 73.13 H new ATOM 0 HA ALA A 50 5.525 -29.898 11.585 1.00 1.01 H new ATOM 0 HB1 ALA A 50 5.408 -31.039 9.394 1.00 64.22 H new ATOM 0 HB2 ALA A 50 4.393 -31.845 10.614 1.00 64.22 H new ATOM 0 HB3 ALA A 50 3.643 -30.808 9.377 1.00 64.22 H new ATOM 725 N CYS A 51 6.095 -27.886 10.301 1.00 54.13 N ATOM 726 CA CYS A 51 6.459 -26.670 9.582 1.00 12.11 C ATOM 727 C CYS A 51 7.156 -27.004 8.267 1.00 13.51 C ATOM 728 O CYS A 51 7.001 -26.295 7.274 1.00 43.44 O ATOM 729 CB CYS A 51 7.367 -25.794 10.447 1.00 60.42 C ATOM 730 SG CYS A 51 7.201 -24.022 10.132 1.00 13.41 S ATOM 0 H CYS A 51 6.812 -28.229 10.940 1.00 54.13 H new ATOM 0 HA CYS A 51 5.544 -26.122 9.358 1.00 12.11 H new ATOM 0 HB2 CYS A 51 7.148 -25.988 11.497 1.00 60.42 H new ATOM 0 HB3 CYS A 51 8.403 -26.086 10.279 1.00 60.42 H new ATOM 0 HG CYS A 51 8.007 -23.365 10.912 1.00 13.41 H new ATOM 736 N GLY A 52 7.925 -28.088 8.269 1.00 2.14 N ATOM 737 CA GLY A 52 8.636 -28.496 7.072 1.00 41.43 C ATOM 738 C GLY A 52 8.833 -29.997 6.997 1.00 4.33 C ATOM 739 O GLY A 52 8.952 -30.667 8.024 1.00 12.42 O ATOM 0 H GLY A 52 8.068 -28.691 9.079 1.00 2.14 H new ATOM 0 HA2 GLY A 52 8.084 -28.161 6.194 1.00 41.43 H new ATOM 0 HA3 GLY A 52 9.608 -28.003 7.045 1.00 41.43 H new ATOM 743 N LEU A 53 8.867 -30.528 5.780 1.00 3.41 N ATOM 744 CA LEU A 53 9.050 -31.960 5.575 1.00 31.41 C ATOM 745 C LEU A 53 10.372 -32.245 4.869 1.00 75.32 C ATOM 746 O LEU A 53 10.779 -31.507 3.972 1.00 3.11 O ATOM 747 CB LEU A 53 7.889 -32.531 4.759 1.00 51.24 C ATOM 748 CG LEU A 53 6.490 -32.063 5.163 1.00 45.44 C ATOM 749 CD1 LEU A 53 6.376 -31.967 6.676 1.00 31.31 C ATOM 750 CD2 LEU A 53 6.169 -30.723 4.516 1.00 20.01 C ATOM 0 H LEU A 53 8.770 -29.988 4.920 1.00 3.41 H new ATOM 0 HA LEU A 53 9.070 -32.442 6.552 1.00 31.41 H new ATOM 0 HB2 LEU A 53 8.047 -32.275 3.711 1.00 51.24 H new ATOM 0 HB3 LEU A 53 7.921 -33.618 4.830 1.00 51.24 H new ATOM 0 HG LEU A 53 5.766 -32.797 4.810 1.00 45.44 H new ATOM 0 HD11 LEU A 53 5.374 -31.633 6.945 1.00 31.31 H new ATOM 0 HD12 LEU A 53 6.563 -32.946 7.118 1.00 31.31 H new ATOM 0 HD13 LEU A 53 7.110 -31.254 7.052 1.00 31.31 H new ATOM 0 HD21 LEU A 53 5.170 -30.405 4.814 1.00 20.01 H new ATOM 0 HD22 LEU A 53 6.898 -29.979 4.838 1.00 20.01 H new ATOM 0 HD23 LEU A 53 6.209 -30.824 3.431 1.00 20.01 H new ATOM 762 N ARG A 54 11.035 -33.322 5.278 1.00 41.31 N ATOM 763 CA ARG A 54 12.310 -33.705 4.684 1.00 41.13 C ATOM 764 C ARG A 54 12.143 -34.919 3.774 1.00 1.33 C ATOM 765 O ARG A 54 11.114 -35.594 3.806 1.00 21.11 O ATOM 766 CB ARG A 54 13.335 -34.011 5.777 1.00 2.42 C ATOM 767 CG ARG A 54 14.731 -33.498 5.464 1.00 43.31 C ATOM 768 CD ARG A 54 15.801 -34.470 5.937 1.00 50.25 C ATOM 769 NE ARG A 54 16.409 -34.045 7.195 1.00 61.14 N ATOM 770 CZ ARG A 54 17.067 -34.865 8.007 1.00 74.33 C ATOM 771 NH1 ARG A 54 17.201 -36.147 7.694 1.00 53.32 N ATOM 772 NH2 ARG A 54 17.592 -34.404 9.134 1.00 2.13 N ATOM 0 H ARG A 54 10.710 -33.944 6.018 1.00 41.31 H new ATOM 0 HA ARG A 54 12.668 -32.869 4.084 1.00 41.13 H new ATOM 0 HB2 ARG A 54 12.997 -33.570 6.714 1.00 2.42 H new ATOM 0 HB3 ARG A 54 13.379 -35.089 5.930 1.00 2.42 H new ATOM 0 HG2 ARG A 54 14.830 -33.341 4.390 1.00 43.31 H new ATOM 0 HG3 ARG A 54 14.880 -32.530 5.943 1.00 43.31 H new ATOM 0 HD2 ARG A 54 15.362 -35.460 6.063 1.00 50.25 H new ATOM 0 HD3 ARG A 54 16.573 -34.559 5.173 1.00 50.25 H new ATOM 0 HE ARG A 54 16.324 -33.065 7.465 1.00 61.14 H new ATOM 0 HH11 ARG A 54 16.798 -36.505 6.828 1.00 53.32 H new ATOM 0 HH12 ARG A 54 17.707 -36.774 8.319 1.00 53.32 H new ATOM 0 HH21 ARG A 54 17.491 -33.419 9.378 1.00 2.13 H new ATOM 0 HH22 ARG A 54 18.097 -35.035 9.757 1.00 2.13 H new ATOM 786 N TYR A 55 13.161 -35.189 2.965 1.00 71.31 N ATOM 787 CA TYR A 55 13.126 -36.320 2.044 1.00 11.44 C ATOM 788 C TYR A 55 14.017 -37.454 2.541 1.00 73.20 C ATOM 789 O TYR A 55 15.185 -37.244 2.866 1.00 24.01 O ATOM 790 CB TYR A 55 13.570 -35.881 0.648 1.00 23.10 C ATOM 791 CG TYR A 55 12.485 -35.998 -0.398 1.00 35.44 C ATOM 792 CD1 TYR A 55 12.020 -34.877 -1.074 1.00 1.22 C ATOM 793 CD2 TYR A 55 11.922 -37.230 -0.709 1.00 23.22 C ATOM 794 CE1 TYR A 55 11.028 -34.979 -2.030 1.00 13.15 C ATOM 795 CE2 TYR A 55 10.931 -37.342 -1.664 1.00 53.00 C ATOM 796 CZ TYR A 55 10.487 -36.214 -2.321 1.00 54.44 C ATOM 797 OH TYR A 55 9.498 -36.321 -3.273 1.00 10.44 O ATOM 0 H TYR A 55 14.020 -34.641 2.928 1.00 71.31 H new ATOM 0 HA TYR A 55 12.100 -36.684 1.993 1.00 11.44 H new ATOM 0 HB2 TYR A 55 13.910 -34.846 0.693 1.00 23.10 H new ATOM 0 HB3 TYR A 55 14.425 -36.484 0.342 1.00 23.10 H new ATOM 0 HD1 TYR A 55 12.441 -33.909 -0.848 1.00 1.22 H new ATOM 0 HD2 TYR A 55 12.266 -38.115 -0.195 1.00 23.22 H new ATOM 0 HE1 TYR A 55 10.678 -34.097 -2.546 1.00 13.15 H new ATOM 0 HE2 TYR A 55 10.506 -38.308 -1.895 1.00 53.00 H new ATOM 0 HH TYR A 55 9.015 -37.164 -3.149 1.00 10.44 H new ATOM 807 N ARG A 56 13.455 -38.658 2.596 1.00 44.41 N ATOM 808 CA ARG A 56 14.197 -39.827 3.053 1.00 43.51 C ATOM 809 C ARG A 56 14.093 -40.965 2.043 1.00 65.43 C ATOM 810 O ARG A 56 13.102 -41.693 2.013 1.00 61.22 O ATOM 811 CB ARG A 56 13.674 -40.289 4.414 1.00 3.21 C ATOM 812 CG ARG A 56 14.035 -41.727 4.749 1.00 50.12 C ATOM 813 CD ARG A 56 15.529 -41.973 4.610 1.00 22.21 C ATOM 814 NE ARG A 56 15.866 -43.387 4.752 1.00 23.02 N ATOM 815 CZ ARG A 56 17.073 -43.824 5.096 1.00 13.11 C ATOM 816 NH1 ARG A 56 18.051 -42.961 5.332 1.00 24.14 N ATOM 817 NH2 ARG A 56 17.302 -45.126 5.205 1.00 71.31 N ATOM 0 H ARG A 56 12.489 -38.849 2.330 1.00 44.41 H new ATOM 0 HA ARG A 56 15.246 -39.546 3.151 1.00 43.51 H new ATOM 0 HB2 ARG A 56 14.072 -39.633 5.188 1.00 3.21 H new ATOM 0 HB3 ARG A 56 12.589 -40.182 4.432 1.00 3.21 H new ATOM 0 HG2 ARG A 56 13.721 -41.954 5.768 1.00 50.12 H new ATOM 0 HG3 ARG A 56 13.491 -42.403 4.089 1.00 50.12 H new ATOM 0 HD2 ARG A 56 15.866 -41.616 3.637 1.00 22.21 H new ATOM 0 HD3 ARG A 56 16.063 -41.395 5.364 1.00 22.21 H new ATOM 0 HE ARG A 56 15.135 -44.077 4.578 1.00 23.02 H new ATOM 0 HH11 ARG A 56 17.878 -41.959 5.250 1.00 24.14 H new ATOM 0 HH12 ARG A 56 18.977 -43.299 5.596 1.00 24.14 H new ATOM 0 HH21 ARG A 56 16.551 -45.793 5.025 1.00 71.31 H new ATOM 0 HH22 ARG A 56 18.229 -45.460 5.469 1.00 71.31 H new ATOM 831 N ASN A 57 15.124 -41.113 1.216 1.00 2.55 N ATOM 832 CA ASN A 57 15.148 -42.162 0.204 1.00 5.10 C ATOM 833 C ASN A 57 16.331 -43.101 0.422 1.00 32.13 C ATOM 834 O ASN A 57 17.440 -42.678 0.749 1.00 51.24 O ATOM 835 CB ASN A 57 15.222 -41.548 -1.195 1.00 42.34 C ATOM 836 CG ASN A 57 14.246 -42.191 -2.161 1.00 64.34 C ATOM 837 OD1 ASN A 57 13.191 -42.682 -1.760 1.00 51.33 O ATOM 838 ND2 ASN A 57 14.596 -42.192 -3.442 1.00 63.45 N ATOM 0 H ASN A 57 15.953 -40.519 1.228 1.00 2.55 H new ATOM 0 HA ASN A 57 14.227 -42.739 0.292 1.00 5.10 H new ATOM 0 HB2 ASN A 57 15.015 -40.480 -1.131 1.00 42.34 H new ATOM 0 HB3 ASN A 57 16.235 -41.654 -1.582 1.00 42.34 H new ATOM 0 HD21 ASN A 57 13.980 -42.611 -4.139 1.00 63.45 H new ATOM 0 HD22 ASN A 57 15.481 -41.773 -3.729 1.00 63.45 H new ATOM 962 N VAL A 66 11.643 -31.823 0.651 1.00 41.55 N ATOM 963 CA VAL A 66 10.414 -31.199 0.174 1.00 62.44 C ATOM 964 C VAL A 66 10.479 -29.682 0.308 1.00 64.24 C ATOM 965 O VAL A 66 10.761 -29.155 1.384 1.00 35.53 O ATOM 966 CB VAL A 66 9.186 -31.719 0.944 1.00 72.53 C ATOM 967 CG1 VAL A 66 7.922 -31.019 0.469 1.00 11.21 C ATOM 968 CG2 VAL A 66 9.060 -33.227 0.789 1.00 74.53 C ATOM 0 HA VAL A 66 10.313 -31.463 -0.879 1.00 62.44 H new ATOM 0 HB VAL A 66 9.321 -31.495 2.002 1.00 72.53 H new ATOM 0 HG11 VAL A 66 7.065 -31.399 1.024 1.00 11.21 H new ATOM 0 HG12 VAL A 66 8.016 -29.946 0.636 1.00 11.21 H new ATOM 0 HG13 VAL A 66 7.779 -31.209 -0.595 1.00 11.21 H new ATOM 0 HG21 VAL A 66 8.187 -33.578 1.339 1.00 74.53 H new ATOM 0 HG22 VAL A 66 8.948 -33.476 -0.266 1.00 74.53 H new ATOM 0 HG23 VAL A 66 9.955 -33.709 1.183 1.00 74.53 H new ATOM 978 N ARG A 67 10.217 -28.985 -0.793 1.00 4.32 N ATOM 979 CA ARG A 67 10.247 -27.527 -0.799 1.00 20.13 C ATOM 980 C ARG A 67 8.942 -26.955 -0.253 1.00 3.45 C ATOM 981 O ARG A 67 7.861 -27.482 -0.517 1.00 62.35 O ATOM 982 CB ARG A 67 10.491 -27.006 -2.216 1.00 71.43 C ATOM 983 CG ARG A 67 10.423 -25.492 -2.329 1.00 60.20 C ATOM 984 CD ARG A 67 11.560 -24.826 -1.570 1.00 52.52 C ATOM 985 NE ARG A 67 11.144 -23.567 -0.957 1.00 5.12 N ATOM 986 CZ ARG A 67 11.990 -22.707 -0.399 1.00 74.12 C ATOM 987 NH1 ARG A 67 13.289 -22.969 -0.378 1.00 42.33 N ATOM 988 NH2 ARG A 67 11.535 -21.582 0.139 1.00 61.43 N ATOM 0 H ARG A 67 9.982 -29.406 -1.692 1.00 4.32 H new ATOM 0 HA ARG A 67 11.064 -27.203 -0.155 1.00 20.13 H new ATOM 0 HB2 ARG A 67 11.471 -27.343 -2.554 1.00 71.43 H new ATOM 0 HB3 ARG A 67 9.753 -27.445 -2.887 1.00 71.43 H new ATOM 0 HG2 ARG A 67 10.466 -25.202 -3.379 1.00 60.20 H new ATOM 0 HG3 ARG A 67 9.468 -25.139 -1.939 1.00 60.20 H new ATOM 0 HD2 ARG A 67 11.925 -25.502 -0.797 1.00 52.52 H new ATOM 0 HD3 ARG A 67 12.391 -24.641 -2.251 1.00 52.52 H new ATOM 0 HE ARG A 67 10.151 -23.335 -0.957 1.00 5.12 H new ATOM 0 HH11 ARG A 67 13.642 -23.832 -0.791 1.00 42.33 H new ATOM 0 HH12 ARG A 67 13.936 -22.307 0.051 1.00 42.33 H new ATOM 0 HH21 ARG A 67 10.536 -21.377 0.124 1.00 61.43 H new ATOM 0 HH22 ARG A 67 12.185 -20.922 0.567 1.00 61.43 H new ATOM 1002 N LEU A 68 9.051 -25.873 0.511 1.00 32.22 N ATOM 1003 CA LEU A 68 7.880 -25.229 1.096 1.00 52.43 C ATOM 1004 C LEU A 68 7.848 -23.743 0.753 1.00 41.33 C ATOM 1005 O LEU A 68 8.759 -22.994 1.106 1.00 40.30 O ATOM 1006 CB LEU A 68 7.876 -25.413 2.614 1.00 22.42 C ATOM 1007 CG LEU A 68 6.763 -24.693 3.375 1.00 12.13 C ATOM 1008 CD1 LEU A 68 7.164 -23.257 3.675 1.00 53.23 C ATOM 1009 CD2 LEU A 68 5.464 -24.732 2.584 1.00 52.04 C ATOM 0 H LEU A 68 9.938 -25.424 0.740 1.00 32.22 H new ATOM 0 HA LEU A 68 6.991 -25.700 0.677 1.00 52.43 H new ATOM 0 HB2 LEU A 68 7.806 -26.479 2.830 1.00 22.42 H new ATOM 0 HB3 LEU A 68 8.835 -25.071 3.004 1.00 22.42 H new ATOM 0 HG LEU A 68 6.604 -25.209 4.322 1.00 12.13 H new ATOM 0 HD11 LEU A 68 6.359 -22.760 4.217 1.00 53.23 H new ATOM 0 HD12 LEU A 68 8.069 -23.251 4.283 1.00 53.23 H new ATOM 0 HD13 LEU A 68 7.352 -22.729 2.740 1.00 53.23 H new ATOM 0 HD21 LEU A 68 4.683 -24.215 3.141 1.00 52.04 H new ATOM 0 HD22 LEU A 68 5.609 -24.241 1.622 1.00 52.04 H new ATOM 0 HD23 LEU A 68 5.168 -25.768 2.422 1.00 52.04 H new ATOM 1021 N VAL A 69 6.792 -23.322 0.064 1.00 61.04 N ATOM 1022 CA VAL A 69 6.639 -21.925 -0.324 1.00 45.13 C ATOM 1023 C VAL A 69 5.198 -21.461 -0.152 1.00 15.13 C ATOM 1024 O VAL A 69 4.275 -22.048 -0.716 1.00 41.34 O ATOM 1025 CB VAL A 69 7.069 -21.698 -1.786 1.00 73.21 C ATOM 1026 CG1 VAL A 69 6.387 -22.701 -2.705 1.00 1.15 C ATOM 1027 CG2 VAL A 69 6.759 -20.272 -2.217 1.00 23.33 C ATOM 0 H VAL A 69 6.029 -23.929 -0.237 1.00 61.04 H new ATOM 0 HA VAL A 69 7.286 -21.342 0.332 1.00 45.13 H new ATOM 0 HB VAL A 69 8.146 -21.849 -1.857 1.00 73.21 H new ATOM 0 HG11 VAL A 69 6.703 -22.525 -3.733 1.00 1.15 H new ATOM 0 HG12 VAL A 69 6.663 -23.713 -2.408 1.00 1.15 H new ATOM 0 HG13 VAL A 69 5.306 -22.584 -2.632 1.00 1.15 H new ATOM 0 HG21 VAL A 69 7.069 -20.129 -3.252 1.00 23.33 H new ATOM 0 HG22 VAL A 69 5.688 -20.091 -2.131 1.00 23.33 H new ATOM 0 HG23 VAL A 69 7.298 -19.573 -1.577 1.00 23.33 H new ATOM 1037 N GLU A 70 5.012 -20.404 0.632 1.00 14.52 N ATOM 1038 CA GLU A 70 3.681 -19.861 0.879 1.00 32.11 C ATOM 1039 C GLU A 70 2.777 -20.909 1.524 1.00 43.55 C ATOM 1040 O GLU A 70 1.557 -20.872 1.368 1.00 4.15 O ATOM 1041 CB GLU A 70 3.056 -19.368 -0.428 1.00 4.43 C ATOM 1042 CG GLU A 70 3.883 -18.306 -1.134 1.00 55.21 C ATOM 1043 CD GLU A 70 3.058 -17.100 -1.540 1.00 41.25 C ATOM 1044 OE1 GLU A 70 2.174 -16.695 -0.756 1.00 44.44 O ATOM 1045 OE2 GLU A 70 3.296 -16.562 -2.642 1.00 11.42 O ATOM 0 H GLU A 70 5.765 -19.907 1.107 1.00 14.52 H new ATOM 0 HA GLU A 70 3.781 -19.020 1.565 1.00 32.11 H new ATOM 0 HB2 GLU A 70 2.920 -20.216 -1.099 1.00 4.43 H new ATOM 0 HB3 GLU A 70 2.065 -18.965 -0.218 1.00 4.43 H new ATOM 0 HG2 GLU A 70 4.692 -17.984 -0.478 1.00 55.21 H new ATOM 0 HG3 GLU A 70 4.346 -18.740 -2.020 1.00 55.21 H new ATOM 1052 N GLY A 71 3.387 -21.843 2.247 1.00 13.24 N ATOM 1053 CA GLY A 71 2.623 -22.888 2.904 1.00 43.11 C ATOM 1054 C GLY A 71 2.428 -24.105 2.021 1.00 2.24 C ATOM 1055 O GLY A 71 2.261 -25.219 2.518 1.00 72.11 O ATOM 0 H GLY A 71 4.396 -21.895 2.390 1.00 13.24 H new ATOM 0 HA2 GLY A 71 3.133 -23.185 3.820 1.00 43.11 H new ATOM 0 HA3 GLY A 71 1.649 -22.494 3.195 1.00 43.11 H new ATOM 1059 N ILE A 72 2.448 -23.892 0.710 1.00 11.10 N ATOM 1060 CA ILE A 72 2.271 -24.981 -0.243 1.00 1.32 C ATOM 1061 C ILE A 72 3.568 -25.760 -0.434 1.00 33.35 C ATOM 1062 O ILE A 72 4.585 -25.203 -0.850 1.00 35.33 O ATOM 1063 CB ILE A 72 1.793 -24.459 -1.611 1.00 32.52 C ATOM 1064 CG1 ILE A 72 0.460 -23.723 -1.463 1.00 33.32 C ATOM 1065 CG2 ILE A 72 1.663 -25.609 -2.599 1.00 55.44 C ATOM 1066 CD1 ILE A 72 0.519 -22.274 -1.893 1.00 75.31 C ATOM 0 H ILE A 72 2.585 -22.976 0.283 1.00 11.10 H new ATOM 0 HA ILE A 72 1.510 -25.643 0.171 1.00 1.32 H new ATOM 0 HB ILE A 72 2.533 -23.757 -1.995 1.00 32.52 H new ATOM 0 HG12 ILE A 72 -0.298 -24.238 -2.053 1.00 33.32 H new ATOM 0 HG13 ILE A 72 0.141 -23.772 -0.422 1.00 33.32 H new ATOM 0 HG21 ILE A 72 1.324 -25.225 -3.561 1.00 55.44 H new ATOM 0 HG22 ILE A 72 2.631 -26.094 -2.722 1.00 55.44 H new ATOM 0 HG23 ILE A 72 0.940 -26.332 -2.222 1.00 55.44 H new ATOM 0 HD11 ILE A 72 -0.461 -21.815 -1.761 1.00 75.31 H new ATOM 0 HD12 ILE A 72 1.253 -21.744 -1.286 1.00 75.31 H new ATOM 0 HD13 ILE A 72 0.807 -22.217 -2.943 1.00 75.31 H new ATOM 1078 N LEU A 73 3.525 -27.052 -0.128 1.00 71.43 N ATOM 1079 CA LEU A 73 4.696 -27.911 -0.268 1.00 2.22 C ATOM 1080 C LEU A 73 4.918 -28.297 -1.727 1.00 12.23 C ATOM 1081 O LEU A 73 4.134 -29.049 -2.307 1.00 22.01 O ATOM 1082 CB LEU A 73 4.535 -29.170 0.586 1.00 52.21 C ATOM 1083 CG LEU A 73 4.744 -28.992 2.090 1.00 23.31 C ATOM 1084 CD1 LEU A 73 6.124 -28.418 2.373 1.00 72.02 C ATOM 1085 CD2 LEU A 73 3.662 -28.098 2.677 1.00 32.44 C ATOM 0 H LEU A 73 2.692 -27.528 0.219 1.00 71.43 H new ATOM 0 HA LEU A 73 5.567 -27.354 0.077 1.00 2.22 H new ATOM 0 HB2 LEU A 73 3.534 -29.570 0.423 1.00 52.21 H new ATOM 0 HB3 LEU A 73 5.240 -29.920 0.228 1.00 52.21 H new ATOM 0 HG LEU A 73 4.676 -29.971 2.565 1.00 23.31 H new ATOM 0 HD11 LEU A 73 6.255 -28.298 3.448 1.00 72.02 H new ATOM 0 HD12 LEU A 73 6.886 -29.096 1.988 1.00 72.02 H new ATOM 0 HD13 LEU A 73 6.222 -27.448 1.885 1.00 72.02 H new ATOM 0 HD21 LEU A 73 3.827 -27.983 3.748 1.00 32.44 H new ATOM 0 HD22 LEU A 73 3.698 -27.120 2.197 1.00 32.44 H new ATOM 0 HD23 LEU A 73 2.685 -28.550 2.507 1.00 32.44 H new ATOM 1097 N HIS A 74 5.992 -27.778 -2.314 1.00 72.51 N ATOM 1098 CA HIS A 74 6.318 -28.071 -3.705 1.00 65.22 C ATOM 1099 C HIS A 74 7.007 -29.427 -3.828 1.00 23.03 C ATOM 1100 O HIS A 74 7.684 -29.876 -2.903 1.00 41.12 O ATOM 1101 CB HIS A 74 7.216 -26.976 -4.282 1.00 3.04 C ATOM 1102 CG HIS A 74 6.723 -26.420 -5.582 1.00 10.44 C ATOM 1103 ND1 HIS A 74 6.557 -27.188 -6.715 1.00 10.05 N ATOM 1104 CD2 HIS A 74 6.357 -25.162 -5.925 1.00 20.44 C ATOM 1105 CE1 HIS A 74 6.112 -26.427 -7.699 1.00 21.24 C ATOM 1106 NE2 HIS A 74 5.982 -25.193 -7.245 1.00 72.42 N ATOM 0 H HIS A 74 6.650 -27.153 -1.849 1.00 72.51 H new ATOM 0 HA HIS A 74 5.387 -28.103 -4.271 1.00 65.22 H new ATOM 0 HB2 HIS A 74 7.298 -26.166 -3.558 1.00 3.04 H new ATOM 0 HB3 HIS A 74 8.219 -27.378 -4.425 1.00 3.04 H new ATOM 0 HD2 HIS A 74 6.360 -24.296 -5.280 1.00 20.44 H new ATOM 0 HE1 HIS A 74 5.892 -26.757 -8.703 1.00 21.24 H new ATOM 0 HE2 HIS A 74 5.656 -24.393 -7.787 1.00 72.42 H new ATOM 1114 N ALA A 75 6.829 -30.074 -4.975 1.00 22.33 N ATOM 1115 CA ALA A 75 7.434 -31.378 -5.218 1.00 44.22 C ATOM 1116 C ALA A 75 8.704 -31.246 -6.053 1.00 31.33 C ATOM 1117 O ALA A 75 8.890 -30.283 -6.796 1.00 40.40 O ATOM 1118 CB ALA A 75 6.440 -32.301 -5.908 1.00 5.33 C ATOM 0 H ALA A 75 6.271 -29.717 -5.750 1.00 22.33 H new ATOM 0 HA ALA A 75 7.706 -31.810 -4.255 1.00 44.22 H new ATOM 0 HB1 ALA A 75 6.905 -33.271 -6.083 1.00 5.33 H new ATOM 0 HB2 ALA A 75 5.562 -32.429 -5.275 1.00 5.33 H new ATOM 0 HB3 ALA A 75 6.140 -31.865 -6.861 1.00 5.33 H new ATOM 1124 N PRO A 76 9.600 -32.237 -5.928 1.00 51.35 N ATOM 1125 CA PRO A 76 10.868 -32.254 -6.664 1.00 12.11 C ATOM 1126 C PRO A 76 10.669 -32.489 -8.157 1.00 73.33 C ATOM 1127 O PRO A 76 9.538 -32.542 -8.642 1.00 1.33 O ATOM 1128 CB PRO A 76 11.627 -33.425 -6.035 1.00 10.23 C ATOM 1129 CG PRO A 76 10.565 -34.319 -5.496 1.00 75.52 C ATOM 1130 CD PRO A 76 9.444 -33.416 -5.061 1.00 31.31 C ATOM 0 HA PRO A 76 11.392 -31.301 -6.594 1.00 12.11 H new ATOM 0 HB2 PRO A 76 12.241 -33.941 -6.773 1.00 10.23 H new ATOM 0 HB3 PRO A 76 12.296 -33.084 -5.245 1.00 10.23 H new ATOM 0 HG2 PRO A 76 10.226 -35.024 -6.255 1.00 75.52 H new ATOM 0 HG3 PRO A 76 10.939 -34.908 -4.659 1.00 75.52 H new ATOM 0 HD2 PRO A 76 8.471 -33.889 -5.197 1.00 31.31 H new ATOM 0 HD3 PRO A 76 9.526 -33.153 -4.006 1.00 31.31 H new ATOM 1138 N ASP A 77 11.773 -32.631 -8.882 1.00 2.24 N ATOM 1139 CA ASP A 77 11.720 -32.862 -10.320 1.00 73.34 C ATOM 1140 C ASP A 77 11.387 -34.320 -10.624 1.00 53.43 C ATOM 1141 O ASP A 77 11.239 -34.704 -11.784 1.00 13.01 O ATOM 1142 CB ASP A 77 13.052 -32.485 -10.969 1.00 42.32 C ATOM 1143 CG ASP A 77 13.174 -30.994 -11.216 1.00 2.22 C ATOM 1144 OD1 ASP A 77 12.359 -30.231 -10.656 1.00 52.22 O ATOM 1145 OD2 ASP A 77 14.086 -30.590 -11.968 1.00 13.25 O ATOM 0 H ASP A 77 12.716 -32.590 -8.496 1.00 2.24 H new ATOM 0 HA ASP A 77 10.932 -32.233 -10.735 1.00 73.34 H new ATOM 0 HB2 ASP A 77 13.871 -32.812 -10.328 1.00 42.32 H new ATOM 0 HB3 ASP A 77 13.155 -33.017 -11.915 1.00 42.32 H new ATOM 1150 N ALA A 78 11.271 -35.126 -9.574 1.00 64.34 N ATOM 1151 CA ALA A 78 10.955 -36.541 -9.729 1.00 2.21 C ATOM 1152 C ALA A 78 9.546 -36.846 -9.233 1.00 12.42 C ATOM 1153 O ALA A 78 8.927 -37.822 -9.653 1.00 71.31 O ATOM 1154 CB ALA A 78 11.974 -37.393 -8.987 1.00 32.41 C ATOM 0 H ALA A 78 11.391 -34.824 -8.607 1.00 64.34 H new ATOM 0 HA ALA A 78 10.999 -36.784 -10.791 1.00 2.21 H new ATOM 0 HB1 ALA A 78 11.726 -38.447 -9.111 1.00 32.41 H new ATOM 0 HB2 ALA A 78 12.969 -37.204 -9.390 1.00 32.41 H new ATOM 0 HB3 ALA A 78 11.958 -37.139 -7.927 1.00 32.41 H new ATOM 1160 N GLY A 79 9.044 -36.003 -8.335 1.00 51.21 N ATOM 1161 CA GLY A 79 7.711 -36.200 -7.796 1.00 61.40 C ATOM 1162 C GLY A 79 7.729 -36.566 -6.325 1.00 71.21 C ATOM 1163 O GLY A 79 8.795 -36.703 -5.726 1.00 4.43 O ATOM 0 H GLY A 79 9.537 -35.187 -7.971 1.00 51.21 H new ATOM 0 HA2 GLY A 79 7.128 -35.289 -7.934 1.00 61.40 H new ATOM 0 HA3 GLY A 79 7.208 -36.988 -8.357 1.00 61.40 H new ATOM 1167 N TRP A 80 6.546 -36.724 -5.742 1.00 42.22 N ATOM 1168 CA TRP A 80 6.430 -37.074 -4.331 1.00 63.31 C ATOM 1169 C TRP A 80 6.998 -38.465 -4.067 1.00 53.33 C ATOM 1170 O TRP A 80 7.919 -38.628 -3.268 1.00 74.32 O ATOM 1171 CB TRP A 80 4.968 -37.014 -3.888 1.00 34.20 C ATOM 1172 CG TRP A 80 4.412 -35.622 -3.859 1.00 64.40 C ATOM 1173 CD1 TRP A 80 3.372 -35.140 -4.600 1.00 14.32 C ATOM 1174 CD2 TRP A 80 4.870 -34.534 -3.050 1.00 3.24 C ATOM 1175 NE1 TRP A 80 3.155 -33.816 -4.300 1.00 32.44 N ATOM 1176 CE2 TRP A 80 4.060 -33.421 -3.351 1.00 24.31 C ATOM 1177 CE3 TRP A 80 5.884 -34.391 -2.098 1.00 51.04 C ATOM 1178 CZ2 TRP A 80 4.236 -32.185 -2.735 1.00 54.11 C ATOM 1179 CZ3 TRP A 80 6.057 -33.163 -1.488 1.00 73.14 C ATOM 1180 CH2 TRP A 80 5.236 -32.073 -1.808 1.00 33.42 C ATOM 0 H TRP A 80 5.654 -36.615 -6.224 1.00 42.22 H new ATOM 0 HA TRP A 80 7.007 -36.351 -3.754 1.00 63.31 H new ATOM 0 HB2 TRP A 80 4.366 -37.624 -4.562 1.00 34.20 H new ATOM 0 HB3 TRP A 80 4.879 -37.454 -2.895 1.00 34.20 H new ATOM 0 HD1 TRP A 80 2.803 -35.714 -5.316 1.00 14.32 H new ATOM 0 HE1 TRP A 80 2.437 -33.224 -4.717 1.00 32.44 H new ATOM 0 HE3 TRP A 80 6.521 -35.225 -1.844 1.00 51.04 H new ATOM 0 HZ2 TRP A 80 3.605 -31.344 -2.980 1.00 54.11 H new ATOM 0 HZ3 TRP A 80 6.838 -33.041 -0.752 1.00 73.14 H new ATOM 0 HH2 TRP A 80 5.396 -31.126 -1.313 1.00 33.42 H new ATOM 1191 N GLY A 81 6.442 -39.465 -4.745 1.00 14.33 N ATOM 1192 CA GLY A 81 6.906 -40.828 -4.569 1.00 31.31 C ATOM 1193 C GLY A 81 6.254 -41.515 -3.385 1.00 2.42 C ATOM 1194 O GLY A 81 5.234 -41.053 -2.876 1.00 1.33 O ATOM 0 H GLY A 81 5.679 -39.355 -5.413 1.00 14.33 H new ATOM 0 HA2 GLY A 81 6.700 -41.398 -5.475 1.00 31.31 H new ATOM 0 HA3 GLY A 81 7.988 -40.826 -4.433 1.00 31.31 H new ATOM 1198 N ASN A 82 6.844 -42.622 -2.946 1.00 61.05 N ATOM 1199 CA ASN A 82 6.313 -43.375 -1.816 1.00 12.20 C ATOM 1200 C ASN A 82 7.392 -43.609 -0.763 1.00 14.42 C ATOM 1201 O ASN A 82 7.411 -44.645 -0.097 1.00 51.13 O ATOM 1202 CB ASN A 82 5.748 -44.715 -2.290 1.00 34.44 C ATOM 1203 CG ASN A 82 5.158 -44.634 -3.684 1.00 41.15 C ATOM 1204 OD1 ASN A 82 4.291 -43.653 -3.904 1.00 42.34 O flip ATOM 1205 ND2 ASN A 82 5.479 -45.444 -4.554 1.00 14.44 N flip ATOM 0 H ASN A 82 7.690 -43.017 -3.356 1.00 61.05 H new ATOM 0 HA ASN A 82 5.512 -42.789 -1.365 1.00 12.20 H new ATOM 0 HB2 ASN A 82 6.539 -45.465 -2.276 1.00 34.44 H new ATOM 0 HB3 ASN A 82 4.980 -45.049 -1.592 1.00 34.44 H new ATOM 0 HD21 ASN A 82 6.150 -46.182 -4.341 1.00 14.44 H new ATOM 0 HD22 ASN A 82 5.074 -45.377 -5.488 1.00 14.44 H new ATOM 1212 N LEU A 83 8.288 -42.639 -0.617 1.00 14.15 N ATOM 1213 CA LEU A 83 9.370 -42.738 0.356 1.00 1.24 C ATOM 1214 C LEU A 83 8.950 -42.151 1.700 1.00 34.43 C ATOM 1215 O LEU A 83 7.797 -41.760 1.885 1.00 3.35 O ATOM 1216 CB LEU A 83 10.615 -42.015 -0.161 1.00 60.11 C ATOM 1217 CG LEU A 83 10.382 -40.638 -0.783 1.00 53.03 C ATOM 1218 CD1 LEU A 83 9.951 -40.774 -2.236 1.00 22.35 C ATOM 1219 CD2 LEU A 83 9.342 -39.862 0.013 1.00 60.45 C ATOM 0 H LEU A 83 8.287 -41.775 -1.160 1.00 14.15 H new ATOM 0 HA LEU A 83 9.602 -43.794 0.498 1.00 1.24 H new ATOM 0 HB2 LEU A 83 11.316 -41.904 0.666 1.00 60.11 H new ATOM 0 HB3 LEU A 83 11.097 -42.650 -0.904 1.00 60.11 H new ATOM 0 HG LEU A 83 11.320 -40.084 -0.754 1.00 53.03 H new ATOM 0 HD11 LEU A 83 9.790 -39.784 -2.662 1.00 22.35 H new ATOM 0 HD12 LEU A 83 10.729 -41.289 -2.800 1.00 22.35 H new ATOM 0 HD13 LEU A 83 9.025 -41.347 -2.289 1.00 22.35 H new ATOM 0 HD21 LEU A 83 9.189 -38.884 -0.444 1.00 60.45 H new ATOM 0 HD22 LEU A 83 8.401 -40.412 0.016 1.00 60.45 H new ATOM 0 HD23 LEU A 83 9.690 -39.733 1.038 1.00 60.45 H new ATOM 1231 N VAL A 84 9.893 -42.092 2.635 1.00 34.14 N ATOM 1232 CA VAL A 84 9.621 -41.550 3.962 1.00 62.35 C ATOM 1233 C VAL A 84 10.008 -40.078 4.043 1.00 0.13 C ATOM 1234 O VAL A 84 10.792 -39.585 3.231 1.00 34.14 O ATOM 1235 CB VAL A 84 10.379 -42.330 5.052 1.00 30.23 C ATOM 1236 CG1 VAL A 84 9.765 -42.069 6.419 1.00 24.15 C ATOM 1237 CG2 VAL A 84 10.384 -43.818 4.737 1.00 61.35 C ATOM 0 H VAL A 84 10.852 -42.413 2.499 1.00 34.14 H new ATOM 0 HA VAL A 84 8.549 -41.651 4.133 1.00 62.35 H new ATOM 0 HB VAL A 84 11.412 -41.983 5.071 1.00 30.23 H new ATOM 0 HG11 VAL A 84 10.313 -42.628 7.177 1.00 24.15 H new ATOM 0 HG12 VAL A 84 9.818 -41.004 6.644 1.00 24.15 H new ATOM 0 HG13 VAL A 84 8.723 -42.388 6.416 1.00 24.15 H new ATOM 0 HG21 VAL A 84 10.924 -44.353 5.518 1.00 61.35 H new ATOM 0 HG22 VAL A 84 9.358 -44.183 4.689 1.00 61.35 H new ATOM 0 HG23 VAL A 84 10.873 -43.985 3.778 1.00 61.35 H new ATOM 1247 N TYR A 85 9.454 -39.380 5.029 1.00 60.53 N ATOM 1248 CA TYR A 85 9.739 -37.963 5.216 1.00 4.10 C ATOM 1249 C TYR A 85 10.022 -37.653 6.683 1.00 71.30 C ATOM 1250 O TYR A 85 9.459 -38.279 7.581 1.00 23.24 O ATOM 1251 CB TYR A 85 8.566 -37.115 4.721 1.00 22.31 C ATOM 1252 CG TYR A 85 7.638 -36.662 5.825 1.00 22.25 C ATOM 1253 CD1 TYR A 85 6.492 -37.384 6.136 1.00 22.02 C ATOM 1254 CD2 TYR A 85 7.906 -35.512 6.557 1.00 25.35 C ATOM 1255 CE1 TYR A 85 5.641 -36.974 7.144 1.00 52.41 C ATOM 1256 CE2 TYR A 85 7.062 -35.095 7.568 1.00 73.23 C ATOM 1257 CZ TYR A 85 5.930 -35.829 7.857 1.00 22.00 C ATOM 1258 OH TYR A 85 5.085 -35.416 8.862 1.00 64.13 O ATOM 0 H TYR A 85 8.805 -39.773 5.711 1.00 60.53 H new ATOM 0 HA TYR A 85 10.627 -37.718 4.634 1.00 4.10 H new ATOM 0 HB2 TYR A 85 8.955 -36.239 4.203 1.00 22.31 H new ATOM 0 HB3 TYR A 85 7.996 -37.690 3.991 1.00 22.31 H new ATOM 0 HD1 TYR A 85 6.263 -38.281 5.580 1.00 22.02 H new ATOM 0 HD2 TYR A 85 8.790 -34.934 6.332 1.00 25.35 H new ATOM 0 HE1 TYR A 85 4.754 -37.547 7.373 1.00 52.41 H new ATOM 0 HE2 TYR A 85 7.287 -34.200 8.129 1.00 73.23 H new ATOM 0 HH TYR A 85 4.156 -35.580 8.597 1.00 64.13 H new ATOM 1268 N VAL A 86 10.898 -36.682 6.918 1.00 41.42 N ATOM 1269 CA VAL A 86 11.256 -36.286 8.275 1.00 55.12 C ATOM 1270 C VAL A 86 10.741 -34.887 8.593 1.00 55.31 C ATOM 1271 O VAL A 86 11.123 -33.911 7.947 1.00 0.10 O ATOM 1272 CB VAL A 86 12.781 -36.320 8.486 1.00 12.01 C ATOM 1273 CG1 VAL A 86 13.131 -35.934 9.915 1.00 31.01 C ATOM 1274 CG2 VAL A 86 13.335 -37.695 8.146 1.00 72.24 C ATOM 0 H VAL A 86 11.373 -36.154 6.186 1.00 41.42 H new ATOM 0 HA VAL A 86 10.788 -37.004 8.948 1.00 55.12 H new ATOM 0 HB VAL A 86 13.239 -35.593 7.816 1.00 12.01 H new ATOM 0 HG11 VAL A 86 14.213 -35.964 10.045 1.00 31.01 H new ATOM 0 HG12 VAL A 86 12.768 -34.927 10.119 1.00 31.01 H new ATOM 0 HG13 VAL A 86 12.663 -36.635 10.606 1.00 31.01 H new ATOM 0 HG21 VAL A 86 14.414 -37.701 8.301 1.00 72.24 H new ATOM 0 HG22 VAL A 86 12.872 -38.443 8.789 1.00 72.24 H new ATOM 0 HG23 VAL A 86 13.117 -37.928 7.104 1.00 72.24 H new ATOM 1284 N VAL A 87 9.870 -34.796 9.593 1.00 1.44 N ATOM 1285 CA VAL A 87 9.303 -33.515 9.999 1.00 21.23 C ATOM 1286 C VAL A 87 10.397 -32.532 10.400 1.00 20.15 C ATOM 1287 O VAL A 87 11.532 -32.926 10.668 1.00 54.44 O ATOM 1288 CB VAL A 87 8.322 -33.683 11.175 1.00 25.01 C ATOM 1289 CG1 VAL A 87 7.018 -34.304 10.699 1.00 64.44 C ATOM 1290 CG2 VAL A 87 8.951 -34.522 12.277 1.00 62.50 C ATOM 0 H VAL A 87 9.542 -35.594 10.137 1.00 1.44 H new ATOM 0 HA VAL A 87 8.763 -33.121 9.138 1.00 21.23 H new ATOM 0 HB VAL A 87 8.099 -32.697 11.583 1.00 25.01 H new ATOM 0 HG11 VAL A 87 6.338 -34.415 11.544 1.00 64.44 H new ATOM 0 HG12 VAL A 87 6.561 -33.660 9.948 1.00 64.44 H new ATOM 0 HG13 VAL A 87 7.219 -35.283 10.264 1.00 64.44 H new ATOM 0 HG21 VAL A 87 8.244 -34.631 13.100 1.00 62.50 H new ATOM 0 HG22 VAL A 87 9.205 -35.507 11.885 1.00 62.50 H new ATOM 0 HG23 VAL A 87 9.855 -34.031 12.637 1.00 62.50 H new ATOM 1300 N ASN A 88 10.047 -31.250 10.441 1.00 25.40 N ATOM 1301 CA ASN A 88 11.000 -30.210 10.810 1.00 42.31 C ATOM 1302 C ASN A 88 10.309 -29.088 11.579 1.00 4.23 C ATOM 1303 O ASN A 88 9.839 -28.115 10.990 1.00 54.15 O ATOM 1304 CB ASN A 88 11.678 -29.644 9.561 1.00 65.04 C ATOM 1305 CG ASN A 88 12.569 -28.457 9.873 1.00 23.35 C ATOM 1306 OD1 ASN A 88 13.248 -28.430 10.900 1.00 24.30 O ATOM 1307 ND2 ASN A 88 12.570 -27.468 8.987 1.00 21.42 N ATOM 0 H ASN A 88 9.111 -30.907 10.223 1.00 25.40 H new ATOM 0 HA ASN A 88 11.756 -30.657 11.455 1.00 42.31 H new ATOM 0 HB2 ASN A 88 12.272 -30.426 9.088 1.00 65.04 H new ATOM 0 HB3 ASN A 88 10.916 -29.343 8.842 1.00 65.04 H new ATOM 0 HD21 ASN A 88 13.149 -26.643 9.144 1.00 21.42 H new ATOM 0 HD22 ASN A 88 11.991 -27.533 8.149 1.00 21.42 H new