USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 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= 1.25 USER MOD Single : A 24 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.18) USER MOD Single : A 32 SER OG : rot -52:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.605 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 -45:sc= 0.837 USER MOD Single : A 46 GLN : amide:sc= -7! C(o=-7!,f=-12!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -81:sc= 0.388 USER MOD Single : A 57 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.5!) USER MOD Single : A 74 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-3.8!) USER MOD Single : A 82 ASN : amide:sc= -1.25 K(o=-1.2,f=-5.8!) USER MOD Single : A 85 TYR OH : rot 156:sc= 1.4 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 17.468 -30.106 2.399 1.00 63.32 N ATOM 195 CA GLU A 15 16.541 -30.323 1.294 1.00 2.13 C ATOM 196 C GLU A 15 15.095 -30.262 1.778 1.00 41.52 C ATOM 197 O GLU A 15 14.825 -29.877 2.916 1.00 25.31 O ATOM 198 CB GLU A 15 16.811 -31.675 0.630 1.00 4.41 C ATOM 199 CG GLU A 15 17.079 -31.577 -0.862 1.00 40.34 C ATOM 200 CD GLU A 15 16.916 -32.906 -1.573 1.00 31.42 C ATOM 201 OE1 GLU A 15 17.801 -33.774 -1.418 1.00 3.43 O ATOM 202 OE2 GLU A 15 15.904 -33.080 -2.283 1.00 41.14 O ATOM 0 HA GLU A 15 16.696 -29.530 0.562 1.00 2.13 H new ATOM 0 HB2 GLU A 15 17.668 -32.144 1.115 1.00 4.41 H new ATOM 0 HB3 GLU A 15 15.954 -32.329 0.795 1.00 4.41 H new ATOM 0 HG2 GLU A 15 16.399 -30.848 -1.302 1.00 40.34 H new ATOM 0 HG3 GLU A 15 18.091 -31.206 -1.022 1.00 40.34 H new ATOM 209 N TYR A 16 14.169 -30.642 0.905 1.00 62.13 N ATOM 210 CA TYR A 16 12.750 -30.628 1.240 1.00 3.34 C ATOM 211 C TYR A 16 12.072 -31.919 0.794 1.00 31.43 C ATOM 212 O TYR A 16 12.714 -32.811 0.239 1.00 25.34 O ATOM 213 CB TYR A 16 12.063 -29.426 0.589 1.00 31.35 C ATOM 214 CG TYR A 16 12.534 -29.150 -0.820 1.00 51.24 C ATOM 215 CD1 TYR A 16 13.389 -28.089 -1.092 1.00 42.14 C ATOM 216 CD2 TYR A 16 12.123 -29.948 -1.881 1.00 22.35 C ATOM 217 CE1 TYR A 16 13.822 -27.832 -2.379 1.00 53.21 C ATOM 218 CE2 TYR A 16 12.552 -29.700 -3.170 1.00 52.40 C ATOM 219 CZ TYR A 16 13.401 -28.640 -3.414 1.00 73.32 C ATOM 220 OH TYR A 16 13.829 -28.388 -4.698 1.00 33.44 O ATOM 0 H TYR A 16 14.376 -30.964 -0.041 1.00 62.13 H new ATOM 0 HA TYR A 16 12.659 -30.547 2.323 1.00 3.34 H new ATOM 0 HB2 TYR A 16 10.986 -29.596 0.576 1.00 31.35 H new ATOM 0 HB3 TYR A 16 12.239 -28.542 1.202 1.00 31.35 H new ATOM 0 HD1 TYR A 16 13.721 -27.454 -0.284 1.00 42.14 H new ATOM 0 HD2 TYR A 16 11.456 -30.777 -1.694 1.00 22.35 H new ATOM 0 HE1 TYR A 16 14.486 -27.003 -2.573 1.00 53.21 H new ATOM 0 HE2 TYR A 16 12.225 -30.332 -3.982 1.00 52.40 H new ATOM 0 HH TYR A 16 13.441 -29.050 -5.308 1.00 33.44 H new ATOM 230 N ILE A 17 10.769 -32.011 1.041 1.00 65.35 N ATOM 231 CA ILE A 17 10.003 -33.192 0.663 1.00 34.02 C ATOM 232 C ILE A 17 8.864 -32.829 -0.284 1.00 0.52 C ATOM 233 O ILE A 17 8.062 -31.941 0.006 1.00 55.00 O ATOM 234 CB ILE A 17 9.420 -33.904 1.899 1.00 45.24 C ATOM 235 CG1 ILE A 17 8.350 -34.912 1.476 1.00 22.31 C ATOM 236 CG2 ILE A 17 8.843 -32.887 2.872 1.00 23.35 C ATOM 237 CD1 ILE A 17 7.827 -35.753 2.620 1.00 41.03 C ATOM 0 H ILE A 17 10.223 -31.283 1.501 1.00 65.35 H new ATOM 0 HA ILE A 17 10.693 -33.867 0.156 1.00 34.02 H new ATOM 0 HB ILE A 17 10.222 -34.444 2.402 1.00 45.24 H new ATOM 0 HG12 ILE A 17 7.518 -34.376 1.019 1.00 22.31 H new ATOM 0 HG13 ILE A 17 8.764 -35.570 0.712 1.00 22.31 H new ATOM 0 HG21 ILE A 17 8.435 -33.405 3.740 1.00 23.35 H new ATOM 0 HG22 ILE A 17 9.629 -32.204 3.193 1.00 23.35 H new ATOM 0 HG23 ILE A 17 8.051 -32.322 2.381 1.00 23.35 H new ATOM 0 HD11 ILE A 17 7.072 -36.445 2.247 1.00 41.03 H new ATOM 0 HD12 ILE A 17 8.649 -36.316 3.063 1.00 41.03 H new ATOM 0 HD13 ILE A 17 7.383 -35.104 3.375 1.00 41.03 H new ATOM 249 N ARG A 18 8.799 -33.522 -1.416 1.00 1.41 N ATOM 250 CA ARG A 18 7.758 -33.272 -2.406 1.00 21.43 C ATOM 251 C ARG A 18 6.902 -34.517 -2.619 1.00 74.10 C ATOM 252 O ARG A 18 7.330 -35.476 -3.261 1.00 63.10 O ATOM 253 CB ARG A 18 8.381 -32.835 -3.733 1.00 33.12 C ATOM 254 CG ARG A 18 8.388 -31.329 -3.935 1.00 53.32 C ATOM 255 CD ARG A 18 8.162 -30.961 -5.394 1.00 25.54 C ATOM 256 NE ARG A 18 9.361 -30.394 -6.006 1.00 75.15 N ATOM 257 CZ ARG A 18 9.349 -29.705 -7.142 1.00 61.11 C ATOM 258 NH1 ARG A 18 8.208 -29.499 -7.785 1.00 11.11 N ATOM 259 NH2 ARG A 18 10.481 -29.220 -7.637 1.00 32.22 N ATOM 0 H ARG A 18 9.455 -34.261 -1.670 1.00 1.41 H new ATOM 0 HA ARG A 18 7.119 -32.472 -2.032 1.00 21.43 H new ATOM 0 HB2 ARG A 18 9.405 -33.205 -3.783 1.00 33.12 H new ATOM 0 HB3 ARG A 18 7.834 -33.301 -4.553 1.00 33.12 H new ATOM 0 HG2 ARG A 18 7.611 -30.875 -3.320 1.00 53.32 H new ATOM 0 HG3 ARG A 18 9.341 -30.920 -3.599 1.00 53.32 H new ATOM 0 HD2 ARG A 18 7.856 -31.848 -5.949 1.00 25.54 H new ATOM 0 HD3 ARG A 18 7.345 -30.243 -5.465 1.00 25.54 H new ATOM 0 HE ARG A 18 10.255 -30.535 -5.536 1.00 75.15 H new ATOM 0 HH11 ARG A 18 7.336 -29.870 -7.408 1.00 11.11 H new ATOM 0 HH12 ARG A 18 8.202 -28.970 -8.657 1.00 11.11 H new ATOM 0 HH21 ARG A 18 11.361 -29.376 -7.145 1.00 32.22 H new ATOM 0 HH22 ARG A 18 10.471 -28.691 -8.509 1.00 32.22 H new ATOM 273 N VAL A 19 5.689 -34.495 -2.076 1.00 14.24 N ATOM 274 CA VAL A 19 4.771 -35.621 -2.207 1.00 4.44 C ATOM 275 C VAL A 19 3.321 -35.150 -2.218 1.00 5.31 C ATOM 276 O VAL A 19 2.975 -34.154 -1.581 1.00 33.43 O ATOM 277 CB VAL A 19 4.961 -36.635 -1.063 1.00 63.25 C ATOM 278 CG1 VAL A 19 6.240 -37.434 -1.265 1.00 2.30 C ATOM 279 CG2 VAL A 19 4.973 -35.925 0.282 1.00 74.41 C ATOM 0 H VAL A 19 5.319 -33.710 -1.541 1.00 14.24 H new ATOM 0 HA VAL A 19 4.999 -36.107 -3.156 1.00 4.44 H new ATOM 0 HB VAL A 19 4.121 -37.330 -1.073 1.00 63.25 H new ATOM 0 HG11 VAL A 19 6.358 -38.145 -0.447 1.00 2.30 H new ATOM 0 HG12 VAL A 19 6.186 -37.974 -2.210 1.00 2.30 H new ATOM 0 HG13 VAL A 19 7.094 -36.756 -1.282 1.00 2.30 H new ATOM 0 HG21 VAL A 19 5.108 -36.657 1.079 1.00 74.41 H new ATOM 0 HG22 VAL A 19 5.792 -35.206 0.307 1.00 74.41 H new ATOM 0 HG23 VAL A 19 4.027 -35.402 0.426 1.00 74.41 H new ATOM 289 N THR A 20 2.476 -35.872 -2.946 1.00 51.05 N ATOM 290 CA THR A 20 1.063 -35.528 -3.042 1.00 32.42 C ATOM 291 C THR A 20 0.190 -36.613 -2.421 1.00 61.20 C ATOM 292 O THR A 20 0.549 -37.790 -2.429 1.00 33.22 O ATOM 293 CB THR A 20 0.634 -35.316 -4.506 1.00 11.42 C ATOM 294 OG1 THR A 20 -0.794 -35.350 -4.608 1.00 0.11 O ATOM 295 CG2 THR A 20 1.238 -36.382 -5.407 1.00 74.20 C ATOM 0 H THR A 20 2.746 -36.699 -3.478 1.00 51.05 H new ATOM 0 HA THR A 20 0.927 -34.596 -2.493 1.00 32.42 H new ATOM 0 HB THR A 20 0.998 -34.341 -4.830 1.00 11.42 H new ATOM 0 HG1 THR A 20 -1.058 -36.007 -5.285 1.00 0.11 H new ATOM 0 HG21 THR A 20 0.921 -36.211 -6.436 1.00 74.20 H new ATOM 0 HG22 THR A 20 2.325 -36.333 -5.350 1.00 74.20 H new ATOM 0 HG23 THR A 20 0.901 -37.366 -5.082 1.00 74.20 H new ATOM 303 N GLU A 21 -0.957 -36.209 -1.885 1.00 11.33 N ATOM 304 CA GLU A 21 -1.881 -37.148 -1.260 1.00 25.34 C ATOM 305 C GLU A 21 -2.564 -38.019 -2.310 1.00 30.54 C ATOM 306 O GLU A 21 -2.611 -39.243 -2.181 1.00 52.03 O ATOM 307 CB GLU A 21 -2.932 -36.396 -0.442 1.00 35.02 C ATOM 308 CG GLU A 21 -3.708 -37.284 0.517 1.00 61.35 C ATOM 309 CD GLU A 21 -5.209 -37.176 0.328 1.00 44.13 C ATOM 310 OE1 GLU A 21 -5.696 -37.535 -0.765 1.00 2.02 O ATOM 311 OE2 GLU A 21 -5.895 -36.732 1.271 1.00 33.14 O ATOM 0 H GLU A 21 -1.269 -35.238 -1.871 1.00 11.33 H new ATOM 0 HA GLU A 21 -1.308 -37.794 -0.595 1.00 25.34 H new ATOM 0 HB2 GLU A 21 -2.441 -35.605 0.125 1.00 35.02 H new ATOM 0 HB3 GLU A 21 -3.632 -35.912 -1.123 1.00 35.02 H new ATOM 0 HG2 GLU A 21 -3.401 -38.320 0.375 1.00 61.35 H new ATOM 0 HG3 GLU A 21 -3.454 -37.014 1.542 1.00 61.35 H new ATOM 318 N ASP A 22 -3.093 -37.380 -3.347 1.00 3.00 N ATOM 319 CA ASP A 22 -3.774 -38.095 -4.420 1.00 64.30 C ATOM 320 C ASP A 22 -2.984 -38.001 -5.722 1.00 73.31 C ATOM 321 O ASP A 22 -2.229 -37.053 -5.934 1.00 13.05 O ATOM 322 CB ASP A 22 -5.182 -37.535 -4.622 1.00 35.15 C ATOM 323 CG ASP A 22 -6.246 -38.394 -3.966 1.00 52.20 C ATOM 324 OD1 ASP A 22 -6.283 -39.610 -4.246 1.00 71.45 O ATOM 325 OD2 ASP A 22 -7.041 -37.849 -3.172 1.00 32.41 O ATOM 0 H ASP A 22 -3.063 -36.368 -3.468 1.00 3.00 H new ATOM 0 HA ASP A 22 -3.847 -39.144 -4.135 1.00 64.30 H new ATOM 0 HB2 ASP A 22 -5.231 -36.526 -4.213 1.00 35.15 H new ATOM 0 HB3 ASP A 22 -5.389 -37.457 -5.689 1.00 35.15 H new ATOM 330 N GLU A 23 -3.164 -38.992 -6.590 1.00 53.22 N ATOM 331 CA GLU A 23 -2.467 -39.021 -7.871 1.00 1.35 C ATOM 332 C GLU A 23 -2.902 -37.855 -8.754 1.00 14.03 C ATOM 333 O GLU A 23 -2.103 -37.302 -9.508 1.00 13.43 O ATOM 334 CB GLU A 23 -2.729 -40.346 -8.590 1.00 14.53 C ATOM 335 CG GLU A 23 -4.184 -40.549 -8.980 1.00 2.51 C ATOM 336 CD GLU A 23 -4.466 -40.138 -10.412 1.00 73.31 C ATOM 337 OE1 GLU A 23 -3.634 -40.445 -11.292 1.00 34.54 O ATOM 338 OE2 GLU A 23 -5.518 -39.510 -10.654 1.00 31.25 O ATOM 0 H GLU A 23 -3.786 -39.784 -6.430 1.00 53.22 H new ATOM 0 HA GLU A 23 -1.399 -38.927 -7.676 1.00 1.35 H new ATOM 0 HB2 GLU A 23 -2.111 -40.391 -9.487 1.00 14.53 H new ATOM 0 HB3 GLU A 23 -2.416 -41.168 -7.946 1.00 14.53 H new ATOM 0 HG2 GLU A 23 -4.449 -41.598 -8.848 1.00 2.51 H new ATOM 0 HG3 GLU A 23 -4.820 -39.973 -8.308 1.00 2.51 H new ATOM 345 N ASN A 24 -4.176 -37.488 -8.654 1.00 30.31 N ATOM 346 CA ASN A 24 -4.719 -36.389 -9.444 1.00 71.41 C ATOM 347 C ASN A 24 -4.210 -35.046 -8.930 1.00 32.21 C ATOM 348 O ASN A 24 -4.106 -34.080 -9.685 1.00 40.34 O ATOM 349 CB ASN A 24 -6.249 -36.415 -9.409 1.00 25.43 C ATOM 350 CG ASN A 24 -6.863 -35.185 -10.047 1.00 43.25 C ATOM 351 OD1 ASN A 24 -7.088 -34.173 -9.383 1.00 23.44 O ATOM 352 ND2 ASN A 24 -7.137 -35.266 -11.344 1.00 72.02 N ATOM 0 H ASN A 24 -4.851 -37.936 -8.034 1.00 30.31 H new ATOM 0 HA ASN A 24 -4.384 -36.514 -10.474 1.00 71.41 H new ATOM 0 HB2 ASN A 24 -6.606 -37.306 -9.926 1.00 25.43 H new ATOM 0 HB3 ASN A 24 -6.585 -36.490 -8.375 1.00 25.43 H new ATOM 0 HD21 ASN A 24 -7.551 -34.469 -11.829 1.00 72.02 H new ATOM 0 HD22 ASN A 24 -6.934 -36.125 -11.856 1.00 72.02 H new ATOM 359 N ASP A 25 -3.894 -34.994 -7.641 1.00 14.24 N ATOM 360 CA ASP A 25 -3.395 -33.770 -7.025 1.00 24.01 C ATOM 361 C ASP A 25 -1.923 -33.554 -7.362 1.00 44.14 C ATOM 362 O ASP A 25 -1.189 -34.508 -7.620 1.00 11.34 O ATOM 363 CB ASP A 25 -3.580 -33.824 -5.508 1.00 31.53 C ATOM 364 CG ASP A 25 -4.981 -33.430 -5.081 1.00 65.52 C ATOM 365 OD1 ASP A 25 -5.126 -32.383 -4.417 1.00 52.54 O ATOM 366 OD2 ASP A 25 -5.931 -34.170 -5.412 1.00 0.41 O ATOM 0 H ASP A 25 -3.974 -35.785 -7.002 1.00 14.24 H new ATOM 0 HA ASP A 25 -3.968 -32.933 -7.423 1.00 24.01 H new ATOM 0 HB2 ASP A 25 -3.366 -34.833 -5.154 1.00 31.53 H new ATOM 0 HB3 ASP A 25 -2.858 -33.160 -5.033 1.00 31.53 H new ATOM 371 N GLU A 26 -1.499 -32.294 -7.360 1.00 41.12 N ATOM 372 CA GLU A 26 -0.115 -31.954 -7.668 1.00 41.52 C ATOM 373 C GLU A 26 0.790 -32.216 -6.468 1.00 10.33 C ATOM 374 O GLU A 26 0.355 -32.201 -5.316 1.00 24.11 O ATOM 375 CB GLU A 26 -0.009 -30.486 -8.090 1.00 21.51 C ATOM 376 CG GLU A 26 -0.029 -30.283 -9.596 1.00 0.05 C ATOM 377 CD GLU A 26 -0.262 -28.836 -9.986 1.00 20.34 C ATOM 378 OE1 GLU A 26 -0.728 -28.596 -11.119 1.00 45.14 O ATOM 379 OE2 GLU A 26 0.021 -27.945 -9.158 1.00 62.12 O ATOM 0 H GLU A 26 -2.094 -31.493 -7.149 1.00 41.12 H new ATOM 0 HA GLU A 26 0.213 -32.587 -8.493 1.00 41.52 H new ATOM 0 HB2 GLU A 26 -0.833 -29.928 -7.646 1.00 21.51 H new ATOM 0 HB3 GLU A 26 0.913 -30.067 -7.687 1.00 21.51 H new ATOM 0 HG2 GLU A 26 0.918 -30.621 -10.017 1.00 0.05 H new ATOM 0 HG3 GLU A 26 -0.812 -30.904 -10.032 1.00 0.05 H new ATOM 386 N PRO A 27 2.080 -32.462 -6.742 1.00 74.10 N ATOM 387 CA PRO A 27 3.073 -32.732 -5.699 1.00 22.53 C ATOM 388 C PRO A 27 3.386 -31.497 -4.862 1.00 12.32 C ATOM 389 O PRO A 27 4.130 -30.616 -5.293 1.00 43.20 O ATOM 390 CB PRO A 27 4.309 -33.169 -6.490 1.00 53.10 C ATOM 391 CG PRO A 27 4.147 -32.532 -7.827 1.00 11.32 C ATOM 392 CD PRO A 27 2.667 -32.495 -8.092 1.00 22.21 C ATOM 0 HA PRO A 27 2.721 -33.477 -4.985 1.00 22.53 H new ATOM 0 HB2 PRO A 27 5.227 -32.840 -6.003 1.00 53.10 H new ATOM 0 HB3 PRO A 27 4.363 -34.255 -6.572 1.00 53.10 H new ATOM 0 HG2 PRO A 27 4.570 -31.527 -7.834 1.00 11.32 H new ATOM 0 HG3 PRO A 27 4.667 -33.102 -8.597 1.00 11.32 H new ATOM 0 HD2 PRO A 27 2.385 -31.618 -8.675 1.00 22.21 H new ATOM 0 HD3 PRO A 27 2.337 -33.370 -8.653 1.00 22.21 H new ATOM 400 N ILE A 28 2.813 -31.439 -3.664 1.00 43.32 N ATOM 401 CA ILE A 28 3.033 -30.311 -2.767 1.00 31.21 C ATOM 402 C ILE A 28 4.419 -30.374 -2.135 1.00 1.44 C ATOM 403 O ILE A 28 4.822 -31.407 -1.602 1.00 4.34 O ATOM 404 CB ILE A 28 1.973 -30.266 -1.650 1.00 42.42 C ATOM 405 CG1 ILE A 28 2.292 -29.143 -0.660 1.00 73.24 C ATOM 406 CG2 ILE A 28 1.901 -31.606 -0.934 1.00 54.00 C ATOM 407 CD1 ILE A 28 2.384 -27.778 -1.305 1.00 1.34 C ATOM 0 H ILE A 28 2.194 -32.159 -3.293 1.00 43.32 H new ATOM 0 HA ILE A 28 2.952 -29.407 -3.370 1.00 31.21 H new ATOM 0 HB ILE A 28 1.001 -30.064 -2.099 1.00 42.42 H new ATOM 0 HG12 ILE A 28 1.523 -29.120 0.112 1.00 73.24 H new ATOM 0 HG13 ILE A 28 3.236 -29.365 -0.162 1.00 73.24 H new ATOM 0 HG21 ILE A 28 1.148 -31.558 -0.148 1.00 54.00 H new ATOM 0 HG22 ILE A 28 1.632 -32.386 -1.647 1.00 54.00 H new ATOM 0 HG23 ILE A 28 2.871 -31.836 -0.494 1.00 54.00 H new ATOM 0 HD11 ILE A 28 2.612 -27.031 -0.545 1.00 1.34 H new ATOM 0 HD12 ILE A 28 3.173 -27.783 -2.057 1.00 1.34 H new ATOM 0 HD13 ILE A 28 1.433 -27.535 -1.779 1.00 1.34 H new ATOM 419 N GLU A 29 5.143 -29.260 -2.197 1.00 32.22 N ATOM 420 CA GLU A 29 6.484 -29.189 -1.629 1.00 11.10 C ATOM 421 C GLU A 29 6.454 -28.554 -0.242 1.00 4.32 C ATOM 422 O GLU A 29 5.921 -27.459 -0.060 1.00 42.44 O ATOM 423 CB GLU A 29 7.409 -28.389 -2.549 1.00 23.25 C ATOM 424 CG GLU A 29 6.927 -26.973 -2.815 1.00 71.35 C ATOM 425 CD GLU A 29 7.826 -26.222 -3.778 1.00 60.54 C ATOM 426 OE1 GLU A 29 9.061 -26.380 -3.681 1.00 61.33 O ATOM 427 OE2 GLU A 29 7.295 -25.477 -4.628 1.00 63.32 O ATOM 0 H GLU A 29 4.823 -28.396 -2.634 1.00 32.22 H new ATOM 0 HA GLU A 29 6.866 -30.205 -1.536 1.00 11.10 H new ATOM 0 HB2 GLU A 29 8.403 -28.348 -2.104 1.00 23.25 H new ATOM 0 HB3 GLU A 29 7.507 -28.915 -3.499 1.00 23.25 H new ATOM 0 HG2 GLU A 29 5.916 -27.008 -3.220 1.00 71.35 H new ATOM 0 HG3 GLU A 29 6.875 -26.428 -1.873 1.00 71.35 H new ATOM 434 N ILE A 30 7.030 -29.249 0.733 1.00 2.11 N ATOM 435 CA ILE A 30 7.070 -28.753 2.103 1.00 25.33 C ATOM 436 C ILE A 30 8.493 -28.773 2.653 1.00 14.14 C ATOM 437 O ILE A 30 9.351 -29.529 2.198 1.00 74.13 O ATOM 438 CB ILE A 30 6.162 -29.584 3.029 1.00 3.33 C ATOM 439 CG1 ILE A 30 5.963 -30.989 2.458 1.00 60.01 C ATOM 440 CG2 ILE A 30 4.823 -28.889 3.220 1.00 55.54 C ATOM 441 CD1 ILE A 30 5.721 -32.043 3.516 1.00 42.22 C ATOM 0 H ILE A 30 7.475 -30.157 0.600 1.00 2.11 H new ATOM 0 HA ILE A 30 6.707 -27.726 2.078 1.00 25.33 H new ATOM 0 HB ILE A 30 6.645 -29.673 4.002 1.00 3.33 H new ATOM 0 HG12 ILE A 30 5.118 -30.976 1.770 1.00 60.01 H new ATOM 0 HG13 ILE A 30 6.843 -31.264 1.877 1.00 60.01 H new ATOM 0 HG21 ILE A 30 4.192 -29.488 3.877 1.00 55.54 H new ATOM 0 HG22 ILE A 30 4.983 -27.908 3.667 1.00 55.54 H new ATOM 0 HG23 ILE A 30 4.333 -28.772 2.254 1.00 55.54 H new ATOM 0 HD11 ILE A 30 5.589 -33.014 3.039 1.00 42.22 H new ATOM 0 HD12 ILE A 30 6.576 -32.084 4.191 1.00 42.22 H new ATOM 0 HD13 ILE A 30 4.824 -31.791 4.082 1.00 42.22 H new ATOM 453 N PRO A 31 8.750 -27.923 3.659 1.00 71.03 N ATOM 454 CA PRO A 31 10.067 -27.825 4.295 1.00 32.11 C ATOM 455 C PRO A 31 10.404 -29.061 5.123 1.00 52.50 C ATOM 456 O PRO A 31 9.547 -29.607 5.818 1.00 52.34 O ATOM 457 CB PRO A 31 9.934 -26.596 5.198 1.00 70.20 C ATOM 458 CG PRO A 31 8.476 -26.493 5.485 1.00 53.33 C ATOM 459 CD PRO A 31 7.775 -26.993 4.252 1.00 52.41 C ATOM 0 HA PRO A 31 10.869 -27.747 3.561 1.00 32.11 H new ATOM 0 HB2 PRO A 31 10.511 -26.714 6.115 1.00 70.20 H new ATOM 0 HB3 PRO A 31 10.304 -25.699 4.702 1.00 70.20 H new ATOM 0 HG2 PRO A 31 8.207 -27.090 6.356 1.00 53.33 H new ATOM 0 HG3 PRO A 31 8.193 -25.463 5.704 1.00 53.33 H new ATOM 0 HD2 PRO A 31 6.839 -27.495 4.497 1.00 52.41 H new ATOM 0 HD3 PRO A 31 7.531 -26.178 3.570 1.00 52.41 H new ATOM 467 N SER A 32 11.657 -29.496 5.045 1.00 43.13 N ATOM 468 CA SER A 32 12.107 -30.669 5.785 1.00 75.34 C ATOM 469 C SER A 32 13.320 -30.336 6.647 1.00 65.14 C ATOM 470 O SER A 32 14.083 -29.421 6.336 1.00 73.51 O ATOM 471 CB SER A 32 12.448 -31.807 4.820 1.00 4.41 C ATOM 472 OG SER A 32 13.807 -31.747 4.422 1.00 1.31 O ATOM 0 H SER A 32 12.379 -29.054 4.477 1.00 43.13 H new ATOM 0 HA SER A 32 11.296 -30.988 6.440 1.00 75.34 H new ATOM 0 HB2 SER A 32 12.248 -32.766 5.298 1.00 4.41 H new ATOM 0 HB3 SER A 32 11.805 -31.748 3.942 1.00 4.41 H new ATOM 0 HG SER A 32 14.010 -30.849 4.086 1.00 1.31 H new ATOM 478 N GLU A 33 13.492 -31.086 7.731 1.00 42.31 N ATOM 479 CA GLU A 33 14.613 -30.869 8.639 1.00 72.54 C ATOM 480 C GLU A 33 15.941 -30.956 7.893 1.00 24.21 C ATOM 481 O GLU A 33 16.018 -31.524 6.803 1.00 10.32 O ATOM 482 CB GLU A 33 14.584 -31.896 9.773 1.00 2.43 C ATOM 483 CG GLU A 33 13.276 -31.913 10.546 1.00 52.34 C ATOM 484 CD GLU A 33 13.449 -31.505 11.996 1.00 40.12 C ATOM 485 OE1 GLU A 33 14.164 -30.513 12.251 1.00 24.52 O ATOM 486 OE2 GLU A 33 12.870 -32.177 12.875 1.00 41.31 O ATOM 0 H GLU A 33 12.871 -31.848 8.002 1.00 42.31 H new ATOM 0 HA GLU A 33 14.518 -29.869 9.061 1.00 72.54 H new ATOM 0 HB2 GLU A 33 14.764 -32.888 9.358 1.00 2.43 H new ATOM 0 HB3 GLU A 33 15.401 -31.686 10.463 1.00 2.43 H new ATOM 0 HG2 GLU A 33 12.566 -31.240 10.066 1.00 52.34 H new ATOM 0 HG3 GLU A 33 12.846 -32.914 10.503 1.00 52.34 H new ATOM 493 N ASP A 34 16.985 -30.389 8.488 1.00 30.33 N ATOM 494 CA ASP A 34 18.311 -30.402 7.882 1.00 62.31 C ATOM 495 C ASP A 34 18.847 -31.827 7.778 1.00 3.32 C ATOM 496 O ASP A 34 19.540 -32.172 6.820 1.00 12.35 O ATOM 497 CB ASP A 34 19.276 -29.539 8.696 1.00 1.12 C ATOM 498 CG ASP A 34 19.719 -30.217 9.978 1.00 51.12 C ATOM 499 OD1 ASP A 34 20.932 -30.476 10.124 1.00 41.20 O ATOM 500 OD2 ASP A 34 18.852 -30.488 10.835 1.00 5.11 O ATOM 0 H ASP A 34 16.938 -29.915 9.390 1.00 30.33 H new ATOM 0 HA ASP A 34 18.228 -29.990 6.876 1.00 62.31 H new ATOM 0 HB2 ASP A 34 20.152 -29.308 8.090 1.00 1.12 H new ATOM 0 HB3 ASP A 34 18.796 -28.591 8.937 1.00 1.12 H new ATOM 505 N ASP A 35 18.524 -32.649 8.770 1.00 14.21 N ATOM 506 CA ASP A 35 18.973 -34.036 8.791 1.00 75.12 C ATOM 507 C ASP A 35 18.407 -34.808 7.603 1.00 72.11 C ATOM 508 O ASP A 35 18.925 -35.860 7.230 1.00 54.35 O ATOM 509 CB ASP A 35 18.555 -34.710 10.099 1.00 72.23 C ATOM 510 CG ASP A 35 19.744 -35.122 10.943 1.00 25.32 C ATOM 511 OD1 ASP A 35 20.680 -34.307 11.089 1.00 34.24 O ATOM 512 OD2 ASP A 35 19.740 -36.259 11.459 1.00 61.52 O ATOM 0 H ASP A 35 17.953 -32.379 9.571 1.00 14.21 H new ATOM 0 HA ASP A 35 20.061 -34.041 8.720 1.00 75.12 H new ATOM 0 HB2 ASP A 35 17.926 -34.028 10.671 1.00 72.23 H new ATOM 0 HB3 ASP A 35 17.950 -35.589 9.875 1.00 72.23 H new ATOM 517 N GLY A 36 17.339 -34.278 7.013 1.00 21.34 N ATOM 518 CA GLY A 36 16.720 -34.931 5.875 1.00 71.41 C ATOM 519 C GLY A 36 15.287 -35.343 6.151 1.00 3.20 C ATOM 520 O GLY A 36 14.458 -35.385 5.241 1.00 25.11 O ATOM 0 H GLY A 36 16.892 -33.408 7.303 1.00 21.34 H new ATOM 0 HA2 GLY A 36 16.743 -34.258 5.018 1.00 71.41 H new ATOM 0 HA3 GLY A 36 17.302 -35.812 5.605 1.00 71.41 H new ATOM 524 N THR A 37 14.993 -35.649 7.411 1.00 64.01 N ATOM 525 CA THR A 37 13.652 -36.062 7.804 1.00 22.12 C ATOM 526 C THR A 37 12.669 -34.901 7.708 1.00 60.20 C ATOM 527 O THR A 37 13.000 -33.835 7.188 1.00 22.35 O ATOM 528 CB THR A 37 13.634 -36.618 9.241 1.00 41.33 C ATOM 529 OG1 THR A 37 13.874 -35.562 10.177 1.00 13.55 O ATOM 530 CG2 THR A 37 14.685 -37.704 9.414 1.00 34.20 C ATOM 0 H THR A 37 15.666 -35.618 8.177 1.00 64.01 H new ATOM 0 HA THR A 37 13.349 -36.849 7.114 1.00 22.12 H new ATOM 0 HB THR A 37 12.652 -37.052 9.427 1.00 41.33 H new ATOM 0 HG1 THR A 37 14.459 -35.886 10.893 1.00 13.55 H new ATOM 0 HG21 THR A 37 14.653 -38.081 10.436 1.00 34.20 H new ATOM 0 HG22 THR A 37 14.483 -38.520 8.720 1.00 34.20 H new ATOM 0 HG23 THR A 37 15.673 -37.290 9.210 1.00 34.20 H new ATOM 538 N VAL A 38 11.458 -35.114 8.213 1.00 72.13 N ATOM 539 CA VAL A 38 10.426 -34.084 8.185 1.00 23.12 C ATOM 540 C VAL A 38 9.665 -34.034 9.505 1.00 54.21 C ATOM 541 O VAL A 38 9.228 -35.063 10.022 1.00 1.02 O ATOM 542 CB VAL A 38 9.427 -34.321 7.037 1.00 2.21 C ATOM 543 CG1 VAL A 38 8.229 -33.393 7.172 1.00 61.41 C ATOM 544 CG2 VAL A 38 10.109 -34.132 5.691 1.00 61.05 C ATOM 0 H VAL A 38 11.167 -35.990 8.646 1.00 72.13 H new ATOM 0 HA VAL A 38 10.932 -33.132 8.024 1.00 23.12 H new ATOM 0 HB VAL A 38 9.069 -35.349 7.096 1.00 2.21 H new ATOM 0 HG11 VAL A 38 7.534 -33.575 6.352 1.00 61.41 H new ATOM 0 HG12 VAL A 38 7.728 -33.582 8.121 1.00 61.41 H new ATOM 0 HG13 VAL A 38 8.566 -32.357 7.139 1.00 61.41 H new ATOM 0 HG21 VAL A 38 9.389 -34.303 4.891 1.00 61.05 H new ATOM 0 HG22 VAL A 38 10.497 -33.116 5.619 1.00 61.05 H new ATOM 0 HG23 VAL A 38 10.931 -34.841 5.597 1.00 61.05 H new ATOM 554 N LEU A 39 9.508 -32.830 10.045 1.00 34.53 N ATOM 555 CA LEU A 39 8.797 -32.645 11.306 1.00 43.31 C ATOM 556 C LEU A 39 7.310 -32.938 11.141 1.00 34.31 C ATOM 557 O LEU A 39 6.677 -32.480 10.189 1.00 41.03 O ATOM 558 CB LEU A 39 8.993 -31.217 11.819 1.00 42.02 C ATOM 559 CG LEU A 39 9.330 -31.077 13.304 1.00 60.52 C ATOM 560 CD1 LEU A 39 9.598 -29.623 13.656 1.00 12.51 C ATOM 561 CD2 LEU A 39 8.204 -31.637 14.161 1.00 70.11 C ATOM 0 H LEU A 39 9.863 -31.968 9.630 1.00 34.53 H new ATOM 0 HA LEU A 39 9.208 -33.346 12.033 1.00 43.31 H new ATOM 0 HB2 LEU A 39 9.791 -30.751 11.241 1.00 42.02 H new ATOM 0 HB3 LEU A 39 8.082 -30.652 11.619 1.00 42.02 H new ATOM 0 HG LEU A 39 10.234 -31.651 13.507 1.00 60.52 H new ATOM 0 HD11 LEU A 39 9.836 -29.543 14.717 1.00 12.51 H new ATOM 0 HD12 LEU A 39 10.438 -29.255 13.067 1.00 12.51 H new ATOM 0 HD13 LEU A 39 8.712 -29.026 13.437 1.00 12.51 H new ATOM 0 HD21 LEU A 39 8.461 -31.529 15.215 1.00 70.11 H new ATOM 0 HD22 LEU A 39 7.283 -31.091 13.954 1.00 70.11 H new ATOM 0 HD23 LEU A 39 8.060 -32.692 13.929 1.00 70.11 H new ATOM 573 N LEU A 40 6.756 -33.703 12.075 1.00 31.25 N ATOM 574 CA LEU A 40 5.341 -34.057 12.036 1.00 41.54 C ATOM 575 C LEU A 40 4.476 -32.818 11.827 1.00 41.42 C ATOM 576 O LEU A 40 3.499 -32.849 11.079 1.00 60.32 O ATOM 577 CB LEU A 40 4.935 -34.764 13.330 1.00 41.32 C ATOM 578 CG LEU A 40 3.577 -35.465 13.314 1.00 74.45 C ATOM 579 CD1 LEU A 40 3.484 -36.422 12.135 1.00 51.34 C ATOM 580 CD2 LEU A 40 3.343 -36.205 14.623 1.00 71.45 C ATOM 0 H LEU A 40 7.265 -34.090 12.869 1.00 31.25 H new ATOM 0 HA LEU A 40 5.184 -34.734 11.196 1.00 41.54 H new ATOM 0 HB2 LEU A 40 5.700 -35.502 13.572 1.00 41.32 H new ATOM 0 HB3 LEU A 40 4.933 -34.030 14.136 1.00 41.32 H new ATOM 0 HG LEU A 40 2.800 -34.708 13.204 1.00 74.45 H new ATOM 0 HD11 LEU A 40 2.510 -36.912 12.140 1.00 51.34 H new ATOM 0 HD12 LEU A 40 3.606 -35.867 11.205 1.00 51.34 H new ATOM 0 HD13 LEU A 40 4.269 -37.174 12.214 1.00 51.34 H new ATOM 0 HD21 LEU A 40 2.371 -36.698 14.594 1.00 71.45 H new ATOM 0 HD22 LEU A 40 4.125 -36.952 14.764 1.00 71.45 H new ATOM 0 HD23 LEU A 40 3.365 -35.496 15.451 1.00 71.45 H new ATOM 592 N SER A 41 4.844 -31.727 12.491 1.00 14.34 N ATOM 593 CA SER A 41 4.100 -30.477 12.380 1.00 24.10 C ATOM 594 C SER A 41 3.893 -30.097 10.917 1.00 33.21 C ATOM 595 O SER A 41 2.858 -29.541 10.548 1.00 34.20 O ATOM 596 CB SER A 41 4.838 -29.354 13.111 1.00 42.53 C ATOM 597 OG SER A 41 4.193 -28.107 12.913 1.00 21.35 O ATOM 0 H SER A 41 5.652 -31.683 13.111 1.00 14.34 H new ATOM 0 HA SER A 41 3.123 -30.621 12.842 1.00 24.10 H new ATOM 0 HB2 SER A 41 4.884 -29.578 14.177 1.00 42.53 H new ATOM 0 HB3 SER A 41 5.866 -29.296 12.753 1.00 42.53 H new ATOM 0 HG SER A 41 4.683 -27.406 13.391 1.00 21.35 H new ATOM 603 N THR A 42 4.885 -30.401 10.086 1.00 21.34 N ATOM 604 CA THR A 42 4.813 -30.092 8.664 1.00 5.41 C ATOM 605 C THR A 42 3.842 -31.022 7.947 1.00 14.31 C ATOM 606 O THR A 42 2.991 -30.574 7.178 1.00 44.05 O ATOM 607 CB THR A 42 6.197 -30.199 7.995 1.00 10.24 C ATOM 608 OG1 THR A 42 7.132 -29.345 8.664 1.00 30.24 O ATOM 609 CG2 THR A 42 6.118 -29.819 6.525 1.00 40.24 C ATOM 0 H THR A 42 5.748 -30.861 10.374 1.00 21.34 H new ATOM 0 HA THR A 42 4.456 -29.065 8.582 1.00 5.41 H new ATOM 0 HB THR A 42 6.533 -31.233 8.069 1.00 10.24 H new ATOM 0 HG1 THR A 42 8.009 -29.420 8.234 1.00 30.24 H new ATOM 0 HG21 THR A 42 7.107 -29.902 6.074 1.00 40.24 H new ATOM 0 HG22 THR A 42 5.428 -30.489 6.013 1.00 40.24 H new ATOM 0 HG23 THR A 42 5.762 -28.793 6.433 1.00 40.24 H new ATOM 617 N VAL A 43 3.972 -32.319 8.205 1.00 62.21 N ATOM 618 CA VAL A 43 3.104 -33.313 7.585 1.00 13.11 C ATOM 619 C VAL A 43 1.634 -32.973 7.807 1.00 22.53 C ATOM 620 O VAL A 43 0.799 -33.168 6.923 1.00 23.21 O ATOM 621 CB VAL A 43 3.382 -34.724 8.136 1.00 4.25 C ATOM 622 CG1 VAL A 43 2.173 -35.624 7.936 1.00 70.20 C ATOM 623 CG2 VAL A 43 4.616 -35.320 7.475 1.00 3.55 C ATOM 0 H VAL A 43 4.670 -32.706 8.839 1.00 62.21 H new ATOM 0 HA VAL A 43 3.320 -33.300 6.517 1.00 13.11 H new ATOM 0 HB VAL A 43 3.573 -34.646 9.206 1.00 4.25 H new ATOM 0 HG11 VAL A 43 2.389 -36.616 8.332 1.00 70.20 H new ATOM 0 HG12 VAL A 43 1.315 -35.203 8.460 1.00 70.20 H new ATOM 0 HG13 VAL A 43 1.947 -35.699 6.872 1.00 70.20 H new ATOM 0 HG21 VAL A 43 4.798 -36.317 7.876 1.00 3.55 H new ATOM 0 HG22 VAL A 43 4.457 -35.385 6.399 1.00 3.55 H new ATOM 0 HG23 VAL A 43 5.479 -34.685 7.676 1.00 3.55 H new ATOM 633 N THR A 44 1.323 -32.464 8.995 1.00 2.41 N ATOM 634 CA THR A 44 -0.046 -32.097 9.335 1.00 61.22 C ATOM 635 C THR A 44 -0.474 -30.831 8.602 1.00 1.44 C ATOM 636 O THR A 44 -1.661 -30.610 8.366 1.00 33.13 O ATOM 637 CB THR A 44 -0.210 -31.880 10.851 1.00 44.00 C ATOM 638 OG1 THR A 44 0.407 -30.647 11.239 1.00 70.13 O ATOM 639 CG2 THR A 44 0.409 -33.030 11.632 1.00 15.32 C ATOM 0 H THR A 44 2.001 -32.297 9.738 1.00 2.41 H new ATOM 0 HA THR A 44 -0.682 -32.926 9.024 1.00 61.22 H new ATOM 0 HB THR A 44 -1.276 -31.840 11.077 1.00 44.00 H new ATOM 0 HG1 THR A 44 1.290 -30.577 10.819 1.00 70.13 H new ATOM 0 HG21 THR A 44 0.281 -32.855 12.700 1.00 15.32 H new ATOM 0 HG22 THR A 44 -0.082 -33.963 11.356 1.00 15.32 H new ATOM 0 HG23 THR A 44 1.472 -33.097 11.400 1.00 15.32 H new ATOM 647 N ALA A 45 0.501 -30.001 8.245 1.00 61.44 N ATOM 648 CA ALA A 45 0.225 -28.758 7.536 1.00 12.12 C ATOM 649 C ALA A 45 -0.708 -28.995 6.354 1.00 73.33 C ATOM 650 O ALA A 45 -1.693 -28.279 6.176 1.00 73.31 O ATOM 651 CB ALA A 45 1.523 -28.118 7.066 1.00 21.44 C ATOM 0 H ALA A 45 1.489 -30.167 8.435 1.00 61.44 H new ATOM 0 HA ALA A 45 -0.273 -28.078 8.227 1.00 12.12 H new ATOM 0 HB1 ALA A 45 1.301 -27.191 6.538 1.00 21.44 H new ATOM 0 HB2 ALA A 45 2.155 -27.903 7.927 1.00 21.44 H new ATOM 0 HB3 ALA A 45 2.044 -28.802 6.395 1.00 21.44 H new ATOM 657 N GLN A 46 -0.391 -30.004 5.548 1.00 2.15 N ATOM 658 CA GLN A 46 -1.201 -30.334 4.382 1.00 51.30 C ATOM 659 C GLN A 46 -1.977 -31.627 4.607 1.00 74.15 C ATOM 660 O GLN A 46 -3.100 -31.781 4.124 1.00 23.41 O ATOM 661 CB GLN A 46 -0.317 -30.465 3.141 1.00 44.21 C ATOM 662 CG GLN A 46 0.967 -29.654 3.220 1.00 21.32 C ATOM 663 CD GLN A 46 2.180 -30.510 3.529 1.00 74.31 C ATOM 664 OE1 GLN A 46 2.743 -30.438 4.622 1.00 74.53 O ATOM 665 NE2 GLN A 46 2.589 -31.327 2.565 1.00 33.23 N ATOM 0 H GLN A 46 0.421 -30.607 5.682 1.00 2.15 H new ATOM 0 HA GLN A 46 -1.915 -29.525 4.226 1.00 51.30 H new ATOM 0 HB2 GLN A 46 -0.065 -31.515 2.994 1.00 44.21 H new ATOM 0 HB3 GLN A 46 -0.884 -30.148 2.266 1.00 44.21 H new ATOM 0 HG2 GLN A 46 1.124 -29.136 2.274 1.00 21.32 H new ATOM 0 HG3 GLN A 46 0.862 -28.888 3.989 1.00 21.32 H new ATOM 0 HE21 GLN A 46 2.092 -31.354 1.675 1.00 33.23 H new ATOM 0 HE22 GLN A 46 3.400 -31.927 2.715 1.00 33.23 H new ATOM 674 N PHE A 47 -1.373 -32.554 5.341 1.00 24.54 N ATOM 675 CA PHE A 47 -2.007 -33.836 5.629 1.00 43.22 C ATOM 676 C PHE A 47 -2.335 -33.959 7.114 1.00 71.22 C ATOM 677 O PHE A 47 -1.656 -34.655 7.870 1.00 55.41 O ATOM 678 CB PHE A 47 -1.096 -34.988 5.199 1.00 3.40 C ATOM 679 CG PHE A 47 -0.211 -34.649 4.034 1.00 44.02 C ATOM 680 CD1 PHE A 47 1.159 -34.844 4.108 1.00 42.53 C ATOM 681 CD2 PHE A 47 -0.748 -34.136 2.865 1.00 54.45 C ATOM 682 CE1 PHE A 47 1.977 -34.533 3.037 1.00 34.41 C ATOM 683 CE2 PHE A 47 0.064 -33.824 1.791 1.00 52.04 C ATOM 684 CZ PHE A 47 1.428 -34.022 1.877 1.00 1.14 C ATOM 0 H PHE A 47 -0.444 -32.442 5.748 1.00 24.54 H new ATOM 0 HA PHE A 47 -2.938 -33.888 5.064 1.00 43.22 H new ATOM 0 HB2 PHE A 47 -0.474 -35.284 6.044 1.00 3.40 H new ATOM 0 HB3 PHE A 47 -1.711 -35.850 4.939 1.00 3.40 H new ATOM 0 HD1 PHE A 47 1.593 -35.244 5.013 1.00 42.53 H new ATOM 0 HD2 PHE A 47 -1.814 -33.978 2.792 1.00 54.45 H new ATOM 0 HE1 PHE A 47 3.043 -34.689 3.108 1.00 34.41 H new ATOM 0 HE2 PHE A 47 -0.368 -33.426 0.885 1.00 52.04 H new ATOM 0 HZ PHE A 47 2.064 -33.778 1.039 1.00 1.14 H new ATOM 694 N PRO A 48 -3.401 -33.267 7.543 1.00 72.51 N ATOM 695 CA PRO A 48 -3.845 -33.283 8.940 1.00 4.31 C ATOM 696 C PRO A 48 -4.432 -34.630 9.347 1.00 1.32 C ATOM 697 O PRO A 48 -5.321 -35.158 8.680 1.00 4.41 O ATOM 698 CB PRO A 48 -4.921 -32.195 8.982 1.00 31.24 C ATOM 699 CG PRO A 48 -5.431 -32.112 7.585 1.00 44.01 C ATOM 700 CD PRO A 48 -4.256 -32.418 6.697 1.00 11.31 C ATOM 0 HA PRO A 48 -3.020 -33.113 9.632 1.00 4.31 H new ATOM 0 HB2 PRO A 48 -5.718 -32.453 9.680 1.00 31.24 H new ATOM 0 HB3 PRO A 48 -4.507 -31.241 9.310 1.00 31.24 H new ATOM 0 HG2 PRO A 48 -6.240 -32.824 7.422 1.00 44.01 H new ATOM 0 HG3 PRO A 48 -5.832 -31.121 7.374 1.00 44.01 H new ATOM 0 HD2 PRO A 48 -4.563 -32.936 5.788 1.00 11.31 H new ATOM 0 HD3 PRO A 48 -3.739 -31.510 6.387 1.00 11.31 H new ATOM 708 N GLY A 49 -3.929 -35.181 10.448 1.00 71.33 N ATOM 709 CA GLY A 49 -4.417 -36.462 10.925 1.00 64.22 C ATOM 710 C GLY A 49 -3.598 -37.626 10.401 1.00 11.41 C ATOM 711 O GLY A 49 -3.511 -38.671 11.044 1.00 74.31 O ATOM 0 H GLY A 49 -3.193 -34.763 11.017 1.00 71.33 H new ATOM 0 HA2 GLY A 49 -4.400 -36.471 12.015 1.00 64.22 H new ATOM 0 HA3 GLY A 49 -5.456 -36.587 10.622 1.00 64.22 H new ATOM 715 N ALA A 50 -2.997 -37.444 9.230 1.00 72.44 N ATOM 716 CA ALA A 50 -2.182 -38.487 8.620 1.00 25.41 C ATOM 717 C ALA A 50 -1.159 -39.034 9.611 1.00 41.34 C ATOM 718 O ALA A 50 -0.235 -38.328 10.016 1.00 2.30 O ATOM 719 CB ALA A 50 -1.483 -37.953 7.378 1.00 33.23 C ATOM 0 H ALA A 50 -3.059 -36.584 8.685 1.00 72.44 H new ATOM 0 HA ALA A 50 -2.841 -39.305 8.329 1.00 25.41 H new ATOM 0 HB1 ALA A 50 -0.878 -38.743 6.933 1.00 33.23 H new ATOM 0 HB2 ALA A 50 -2.228 -37.617 6.657 1.00 33.23 H new ATOM 0 HB3 ALA A 50 -0.841 -37.116 7.653 1.00 33.23 H new ATOM 725 N CYS A 51 -1.331 -40.293 9.997 1.00 65.14 N ATOM 726 CA CYS A 51 -0.423 -40.934 10.942 1.00 44.44 C ATOM 727 C CYS A 51 0.813 -41.472 10.228 1.00 4.03 C ATOM 728 O CYS A 51 1.916 -41.452 10.774 1.00 12.40 O ATOM 729 CB CYS A 51 -1.137 -42.068 11.677 1.00 25.44 C ATOM 730 SG CYS A 51 -1.473 -41.722 13.420 1.00 44.11 S ATOM 0 H CYS A 51 -2.091 -40.890 9.670 1.00 65.14 H new ATOM 0 HA CYS A 51 -0.104 -40.185 11.667 1.00 44.44 H new ATOM 0 HB2 CYS A 51 -2.079 -42.278 11.171 1.00 25.44 H new ATOM 0 HB3 CYS A 51 -0.530 -42.971 11.607 1.00 25.44 H new ATOM 0 HG CYS A 51 -2.081 -42.739 13.955 1.00 44.11 H new ATOM 736 N GLY A 52 0.621 -41.955 9.005 1.00 71.33 N ATOM 737 CA GLY A 52 1.728 -42.494 8.237 1.00 24.43 C ATOM 738 C GLY A 52 1.560 -42.279 6.746 1.00 34.43 C ATOM 739 O GLY A 52 0.438 -42.247 6.239 1.00 35.41 O ATOM 0 H GLY A 52 -0.282 -41.983 8.532 1.00 71.33 H new ATOM 0 HA2 GLY A 52 2.656 -42.026 8.566 1.00 24.43 H new ATOM 0 HA3 GLY A 52 1.820 -43.561 8.439 1.00 24.43 H new ATOM 743 N LEU A 53 2.676 -42.130 6.042 1.00 52.03 N ATOM 744 CA LEU A 53 2.647 -41.915 4.599 1.00 0.11 C ATOM 745 C LEU A 53 3.288 -43.086 3.861 1.00 34.11 C ATOM 746 O LEU A 53 4.256 -43.678 4.338 1.00 44.33 O ATOM 747 CB LEU A 53 3.371 -40.615 4.243 1.00 71.42 C ATOM 748 CG LEU A 53 3.020 -39.396 5.096 1.00 2.02 C ATOM 749 CD1 LEU A 53 1.537 -39.389 5.433 1.00 41.44 C ATOM 750 CD2 LEU A 53 3.857 -39.376 6.367 1.00 43.31 C ATOM 0 H LEU A 53 3.612 -42.154 6.446 1.00 52.03 H new ATOM 0 HA LEU A 53 1.605 -41.840 4.288 1.00 0.11 H new ATOM 0 HB2 LEU A 53 4.445 -40.788 4.317 1.00 71.42 H new ATOM 0 HB3 LEU A 53 3.158 -40.378 3.201 1.00 71.42 H new ATOM 0 HG LEU A 53 3.245 -38.498 4.521 1.00 2.02 H new ATOM 0 HD11 LEU A 53 1.306 -38.514 6.041 1.00 41.44 H new ATOM 0 HD12 LEU A 53 0.955 -39.355 4.512 1.00 41.44 H new ATOM 0 HD13 LEU A 53 1.286 -40.293 5.988 1.00 41.44 H new ATOM 0 HD21 LEU A 53 3.594 -38.502 6.962 1.00 43.31 H new ATOM 0 HD22 LEU A 53 3.663 -40.280 6.945 1.00 43.31 H new ATOM 0 HD23 LEU A 53 4.914 -39.332 6.106 1.00 43.31 H new ATOM 762 N ARG A 54 2.741 -43.414 2.695 1.00 44.12 N ATOM 763 CA ARG A 54 3.260 -44.513 1.890 1.00 22.53 C ATOM 764 C ARG A 54 4.016 -43.987 0.674 1.00 64.52 C ATOM 765 O ARG A 54 3.889 -42.818 0.309 1.00 62.53 O ATOM 766 CB ARG A 54 2.119 -45.426 1.439 1.00 75.21 C ATOM 767 CG ARG A 54 2.414 -46.906 1.620 1.00 60.10 C ATOM 768 CD ARG A 54 1.811 -47.736 0.498 1.00 72.04 C ATOM 769 NE ARG A 54 0.604 -48.440 0.925 1.00 43.54 N ATOM 770 CZ ARG A 54 0.040 -49.420 0.228 1.00 13.32 C ATOM 771 NH1 ARG A 54 0.570 -49.811 -0.922 1.00 40.54 N ATOM 772 NH2 ARG A 54 -1.057 -50.011 0.683 1.00 75.52 N ATOM 0 H ARG A 54 1.939 -42.934 2.287 1.00 44.12 H new ATOM 0 HA ARG A 54 3.953 -45.086 2.507 1.00 22.53 H new ATOM 0 HB2 ARG A 54 1.219 -45.173 2.000 1.00 75.21 H new ATOM 0 HB3 ARG A 54 1.905 -45.233 0.388 1.00 75.21 H new ATOM 0 HG2 ARG A 54 3.492 -47.062 1.650 1.00 60.10 H new ATOM 0 HG3 ARG A 54 2.016 -47.243 2.577 1.00 60.10 H new ATOM 0 HD2 ARG A 54 1.573 -47.087 -0.345 1.00 72.04 H new ATOM 0 HD3 ARG A 54 2.547 -48.459 0.146 1.00 72.04 H new ATOM 0 HE ARG A 54 0.171 -48.164 1.806 1.00 43.54 H new ATOM 0 HH11 ARG A 54 1.414 -49.359 -1.275 1.00 40.54 H new ATOM 0 HH12 ARG A 54 0.134 -50.564 -1.455 1.00 40.54 H new ATOM 0 HH21 ARG A 54 -1.467 -49.713 1.568 1.00 75.52 H new ATOM 0 HH22 ARG A 54 -1.490 -50.764 0.148 1.00 75.52 H new ATOM 786 N TYR A 55 4.803 -44.858 0.051 1.00 4.13 N ATOM 787 CA TYR A 55 5.582 -44.481 -1.122 1.00 45.30 C ATOM 788 C TYR A 55 4.941 -45.017 -2.398 1.00 35.22 C ATOM 789 O TYR A 55 4.605 -46.198 -2.488 1.00 32.22 O ATOM 790 CB TYR A 55 7.014 -45.004 -0.999 1.00 64.33 C ATOM 791 CG TYR A 55 8.055 -43.910 -0.920 1.00 14.22 C ATOM 792 CD1 TYR A 55 8.256 -43.038 -1.983 1.00 3.23 C ATOM 793 CD2 TYR A 55 8.836 -43.748 0.217 1.00 24.23 C ATOM 794 CE1 TYR A 55 9.206 -42.037 -1.915 1.00 51.31 C ATOM 795 CE2 TYR A 55 9.787 -42.749 0.294 1.00 22.13 C ATOM 796 CZ TYR A 55 9.968 -41.896 -0.774 1.00 65.13 C ATOM 797 OH TYR A 55 10.916 -40.901 -0.702 1.00 53.40 O ATOM 0 H TYR A 55 4.918 -45.830 0.339 1.00 4.13 H new ATOM 0 HA TYR A 55 5.603 -43.393 -1.177 1.00 45.30 H new ATOM 0 HB2 TYR A 55 7.088 -45.629 -0.109 1.00 64.33 H new ATOM 0 HB3 TYR A 55 7.234 -45.641 -1.855 1.00 64.33 H new ATOM 0 HD1 TYR A 55 7.660 -43.144 -2.877 1.00 3.23 H new ATOM 0 HD2 TYR A 55 8.697 -44.415 1.055 1.00 24.23 H new ATOM 0 HE1 TYR A 55 9.351 -41.369 -2.751 1.00 51.31 H new ATOM 0 HE2 TYR A 55 10.385 -42.637 1.186 1.00 22.13 H new ATOM 0 HH TYR A 55 11.732 -41.193 -1.159 1.00 53.40 H new ATOM 807 N ARG A 56 4.774 -44.140 -3.382 1.00 73.24 N ATOM 808 CA ARG A 56 4.172 -44.524 -4.654 1.00 32.14 C ATOM 809 C ARG A 56 5.061 -44.111 -5.823 1.00 30.22 C ATOM 810 O ARG A 56 5.050 -42.956 -6.246 1.00 72.21 O ATOM 811 CB ARG A 56 2.789 -43.887 -4.801 1.00 10.54 C ATOM 812 CG ARG A 56 1.985 -44.438 -5.966 1.00 74.51 C ATOM 813 CD ARG A 56 2.050 -43.517 -7.174 1.00 14.21 C ATOM 814 NE ARG A 56 2.075 -44.261 -8.430 1.00 30.40 N ATOM 815 CZ ARG A 56 1.045 -44.963 -8.890 1.00 14.45 C ATOM 816 NH1 ARG A 56 -0.087 -45.014 -8.200 1.00 63.11 N ATOM 817 NH2 ARG A 56 1.145 -45.614 -10.041 1.00 54.24 N ATOM 0 H ARG A 56 5.047 -43.159 -3.323 1.00 73.24 H new ATOM 0 HA ARG A 56 4.068 -45.609 -4.665 1.00 32.14 H new ATOM 0 HB2 ARG A 56 2.228 -44.040 -3.879 1.00 10.54 H new ATOM 0 HB3 ARG A 56 2.906 -42.811 -4.928 1.00 10.54 H new ATOM 0 HG2 ARG A 56 2.365 -45.423 -6.238 1.00 74.51 H new ATOM 0 HG3 ARG A 56 0.946 -44.569 -5.663 1.00 74.51 H new ATOM 0 HD2 ARG A 56 1.189 -42.848 -7.166 1.00 14.21 H new ATOM 0 HD3 ARG A 56 2.940 -42.892 -7.105 1.00 14.21 H new ATOM 0 HE ARG A 56 2.931 -44.241 -8.985 1.00 30.40 H new ATOM 0 HH11 ARG A 56 -0.168 -44.514 -7.315 1.00 63.11 H new ATOM 0 HH12 ARG A 56 -0.877 -45.553 -8.555 1.00 63.11 H new ATOM 0 HH21 ARG A 56 2.014 -45.576 -10.574 1.00 54.24 H new ATOM 0 HH22 ARG A 56 0.353 -46.153 -10.393 1.00 54.24 H new ATOM 831 N ASN A 57 5.831 -45.064 -6.339 1.00 54.34 N ATOM 832 CA ASN A 57 6.727 -44.799 -7.459 1.00 51.30 C ATOM 833 C ASN A 57 6.377 -45.678 -8.656 1.00 25.45 C ATOM 834 O ASN A 57 5.813 -46.764 -8.516 1.00 2.31 O ATOM 835 CB ASN A 57 8.180 -45.037 -7.044 1.00 30.25 C ATOM 836 CG ASN A 57 9.017 -43.775 -7.118 1.00 42.11 C ATOM 837 OD1 ASN A 57 8.524 -42.711 -7.493 1.00 62.02 O ATOM 838 ND2 ASN A 57 10.291 -43.888 -6.760 1.00 61.14 N ATOM 0 H ASN A 57 5.852 -46.026 -6.000 1.00 54.34 H new ATOM 0 HA ASN A 57 6.606 -43.756 -7.750 1.00 51.30 H new ATOM 0 HB2 ASN A 57 8.205 -45.427 -6.026 1.00 30.25 H new ATOM 0 HB3 ASN A 57 8.619 -45.799 -7.688 1.00 30.25 H new ATOM 0 HD21 ASN A 57 10.903 -43.073 -6.789 1.00 61.14 H new ATOM 0 HD22 ASN A 57 10.657 -44.790 -6.456 1.00 61.14 H new ATOM 962 N VAL A 66 7.416 -44.284 3.544 1.00 30.43 N ATOM 963 CA VAL A 66 8.042 -43.256 4.367 1.00 61.31 C ATOM 964 C VAL A 66 8.119 -43.691 5.826 1.00 32.31 C ATOM 965 O VAL A 66 7.095 -43.866 6.487 1.00 11.41 O ATOM 966 CB VAL A 66 7.275 -41.923 4.280 1.00 62.44 C ATOM 967 CG1 VAL A 66 7.918 -40.877 5.177 1.00 23.44 C ATOM 968 CG2 VAL A 66 7.215 -41.437 2.839 1.00 33.44 C ATOM 0 HA VAL A 66 9.051 -43.112 3.980 1.00 61.31 H new ATOM 0 HB VAL A 66 6.255 -42.087 4.628 1.00 62.44 H new ATOM 0 HG11 VAL A 66 7.362 -39.942 5.102 1.00 23.44 H new ATOM 0 HG12 VAL A 66 7.905 -41.225 6.210 1.00 23.44 H new ATOM 0 HG13 VAL A 66 8.949 -40.712 4.863 1.00 23.44 H new ATOM 0 HG21 VAL A 66 6.670 -40.494 2.795 1.00 33.44 H new ATOM 0 HG22 VAL A 66 8.227 -41.289 2.463 1.00 33.44 H new ATOM 0 HG23 VAL A 66 6.705 -42.180 2.225 1.00 33.44 H new ATOM 978 N ARG A 67 9.339 -43.865 6.323 1.00 42.52 N ATOM 979 CA ARG A 67 9.550 -44.280 7.704 1.00 10.03 C ATOM 980 C ARG A 67 9.105 -43.189 8.674 1.00 71.10 C ATOM 981 O ARG A 67 9.306 -42.000 8.423 1.00 61.14 O ATOM 982 CB ARG A 67 11.024 -44.616 7.939 1.00 11.31 C ATOM 983 CG ARG A 67 11.379 -44.806 9.405 1.00 42.43 C ATOM 984 CD ARG A 67 10.643 -45.992 10.007 1.00 12.12 C ATOM 985 NE ARG A 67 10.586 -45.918 11.465 1.00 41.03 N ATOM 986 CZ ARG A 67 11.582 -46.295 12.259 1.00 41.50 C ATOM 987 NH1 ARG A 67 12.706 -46.768 11.739 1.00 20.42 N ATOM 988 NH2 ARG A 67 11.455 -46.197 13.576 1.00 1.12 N ATOM 0 H ARG A 67 10.197 -43.725 5.789 1.00 42.52 H new ATOM 0 HA ARG A 67 8.948 -45.171 7.885 1.00 10.03 H new ATOM 0 HB2 ARG A 67 11.272 -45.526 7.393 1.00 11.31 H new ATOM 0 HB3 ARG A 67 11.640 -43.818 7.525 1.00 11.31 H new ATOM 0 HG2 ARG A 67 12.454 -44.955 9.504 1.00 42.43 H new ATOM 0 HG3 ARG A 67 11.130 -43.902 9.961 1.00 42.43 H new ATOM 0 HD2 ARG A 67 9.630 -46.032 9.606 1.00 12.12 H new ATOM 0 HD3 ARG A 67 11.140 -46.916 9.710 1.00 12.12 H new ATOM 0 HE ARG A 67 9.735 -45.557 11.897 1.00 41.03 H new ATOM 0 HH11 ARG A 67 12.808 -46.843 10.727 1.00 20.42 H new ATOM 0 HH12 ARG A 67 13.469 -47.057 12.351 1.00 20.42 H new ATOM 0 HH21 ARG A 67 10.592 -45.832 13.979 1.00 1.12 H new ATOM 0 HH22 ARG A 67 12.220 -46.487 14.185 1.00 1.12 H new ATOM 1002 N LEU A 68 8.499 -43.601 9.782 1.00 21.11 N ATOM 1003 CA LEU A 68 8.025 -42.659 10.790 1.00 33.31 C ATOM 1004 C LEU A 68 8.565 -43.020 12.170 1.00 65.21 C ATOM 1005 O LEU A 68 8.370 -44.136 12.653 1.00 41.24 O ATOM 1006 CB LEU A 68 6.495 -42.639 10.818 1.00 24.53 C ATOM 1007 CG LEU A 68 5.855 -41.740 11.876 1.00 2.30 C ATOM 1008 CD1 LEU A 68 5.774 -42.461 13.212 1.00 20.13 C ATOM 1009 CD2 LEU A 68 6.637 -40.441 12.015 1.00 34.34 C ATOM 0 H LEU A 68 8.324 -44.581 10.005 1.00 21.11 H new ATOM 0 HA LEU A 68 8.391 -41.667 10.525 1.00 33.31 H new ATOM 0 HB2 LEU A 68 6.138 -42.324 9.838 1.00 24.53 H new ATOM 0 HB3 LEU A 68 6.141 -43.658 10.974 1.00 24.53 H new ATOM 0 HG LEU A 68 4.842 -41.499 11.555 1.00 2.30 H new ATOM 0 HD11 LEU A 68 5.316 -41.805 13.952 1.00 20.13 H new ATOM 0 HD12 LEU A 68 5.171 -43.362 13.103 1.00 20.13 H new ATOM 0 HD13 LEU A 68 6.777 -42.733 13.540 1.00 20.13 H new ATOM 0 HD21 LEU A 68 6.168 -39.813 12.772 1.00 34.34 H new ATOM 0 HD22 LEU A 68 7.662 -40.663 12.312 1.00 34.34 H new ATOM 0 HD23 LEU A 68 6.642 -39.915 11.060 1.00 34.34 H new ATOM 1021 N VAL A 69 9.245 -42.068 12.801 1.00 11.03 N ATOM 1022 CA VAL A 69 9.811 -42.284 14.127 1.00 22.14 C ATOM 1023 C VAL A 69 9.663 -41.041 14.997 1.00 5.23 C ATOM 1024 O VAL A 69 10.224 -39.989 14.693 1.00 42.31 O ATOM 1025 CB VAL A 69 11.301 -42.666 14.046 1.00 61.20 C ATOM 1026 CG1 VAL A 69 12.062 -41.668 13.187 1.00 62.45 C ATOM 1027 CG2 VAL A 69 11.905 -42.752 15.439 1.00 24.33 C ATOM 0 H VAL A 69 9.417 -41.140 12.415 1.00 11.03 H new ATOM 0 HA VAL A 69 9.256 -43.107 14.577 1.00 22.14 H new ATOM 0 HB VAL A 69 11.382 -43.647 13.579 1.00 61.20 H new ATOM 0 HG11 VAL A 69 13.113 -41.954 13.141 1.00 62.45 H new ATOM 0 HG12 VAL A 69 11.644 -41.661 12.180 1.00 62.45 H new ATOM 0 HG13 VAL A 69 11.976 -40.673 13.623 1.00 62.45 H new ATOM 0 HG21 VAL A 69 12.958 -43.023 15.363 1.00 24.33 H new ATOM 0 HG22 VAL A 69 11.814 -41.786 15.935 1.00 24.33 H new ATOM 0 HG23 VAL A 69 11.377 -43.509 16.019 1.00 24.33 H new ATOM 1037 N GLU A 70 8.905 -41.171 16.081 1.00 2.55 N ATOM 1038 CA GLU A 70 8.684 -40.056 16.996 1.00 72.33 C ATOM 1039 C GLU A 70 7.939 -38.921 16.299 1.00 4.32 C ATOM 1040 O GLU A 70 8.079 -37.755 16.667 1.00 40.03 O ATOM 1041 CB GLU A 70 10.017 -39.545 17.545 1.00 65.33 C ATOM 1042 CG GLU A 70 10.947 -40.652 18.013 1.00 31.25 C ATOM 1043 CD GLU A 70 11.445 -40.435 19.429 1.00 21.21 C ATOM 1044 OE1 GLU A 70 12.665 -40.575 19.656 1.00 63.11 O ATOM 1045 OE2 GLU A 70 10.616 -40.126 20.310 1.00 53.12 O ATOM 0 H GLU A 70 8.434 -42.036 16.347 1.00 2.55 H new ATOM 0 HA GLU A 70 8.073 -40.414 17.824 1.00 72.33 H new ATOM 0 HB2 GLU A 70 10.519 -38.963 16.773 1.00 65.33 H new ATOM 0 HB3 GLU A 70 9.822 -38.869 18.378 1.00 65.33 H new ATOM 0 HG2 GLU A 70 10.425 -41.607 17.958 1.00 31.25 H new ATOM 0 HG3 GLU A 70 11.800 -40.715 17.337 1.00 31.25 H new ATOM 1052 N GLY A 71 7.148 -39.271 15.290 1.00 73.11 N ATOM 1053 CA GLY A 71 6.394 -38.271 14.557 1.00 35.00 C ATOM 1054 C GLY A 71 7.165 -37.712 13.378 1.00 1.43 C ATOM 1055 O GLY A 71 6.572 -37.264 12.396 1.00 2.02 O ATOM 0 H GLY A 71 7.016 -40.229 14.967 1.00 73.11 H new ATOM 0 HA2 GLY A 71 5.462 -38.711 14.202 1.00 35.00 H new ATOM 0 HA3 GLY A 71 6.126 -37.457 15.230 1.00 35.00 H new ATOM 1059 N ILE A 72 8.490 -37.735 13.475 1.00 20.35 N ATOM 1060 CA ILE A 72 9.343 -37.226 12.409 1.00 70.01 C ATOM 1061 C ILE A 72 9.450 -38.229 11.265 1.00 44.52 C ATOM 1062 O ILE A 72 9.998 -39.320 11.430 1.00 12.41 O ATOM 1063 CB ILE A 72 10.757 -36.900 12.926 1.00 72.44 C ATOM 1064 CG1 ILE A 72 10.690 -35.833 14.020 1.00 43.34 C ATOM 1065 CG2 ILE A 72 11.646 -36.439 11.781 1.00 51.34 C ATOM 1066 CD1 ILE A 72 11.304 -36.272 15.331 1.00 55.03 C ATOM 0 H ILE A 72 8.996 -38.101 14.282 1.00 20.35 H new ATOM 0 HA ILE A 72 8.879 -36.310 12.044 1.00 70.01 H new ATOM 0 HB ILE A 72 11.190 -37.804 13.354 1.00 72.44 H new ATOM 0 HG12 ILE A 72 11.200 -34.935 13.672 1.00 43.34 H new ATOM 0 HG13 ILE A 72 9.648 -35.562 14.189 1.00 43.34 H new ATOM 0 HG21 ILE A 72 12.642 -36.212 12.162 1.00 51.34 H new ATOM 0 HG22 ILE A 72 11.715 -37.229 11.033 1.00 51.34 H new ATOM 0 HG23 ILE A 72 11.219 -35.545 11.326 1.00 51.34 H new ATOM 0 HD11 ILE A 72 11.221 -35.466 16.060 1.00 55.03 H new ATOM 0 HD12 ILE A 72 10.779 -37.152 15.702 1.00 55.03 H new ATOM 0 HD13 ILE A 72 12.355 -36.515 15.177 1.00 55.03 H new ATOM 1078 N LEU A 73 8.926 -37.851 10.104 1.00 62.30 N ATOM 1079 CA LEU A 73 8.965 -38.716 8.930 1.00 35.40 C ATOM 1080 C LEU A 73 10.375 -38.790 8.353 1.00 13.34 C ATOM 1081 O LEU A 73 10.907 -37.795 7.859 1.00 61.40 O ATOM 1082 CB LEU A 73 7.992 -38.207 7.865 1.00 34.40 C ATOM 1083 CG LEU A 73 6.510 -38.482 8.123 1.00 33.34 C ATOM 1084 CD1 LEU A 73 6.266 -39.973 8.299 1.00 21.13 C ATOM 1085 CD2 LEU A 73 6.030 -37.714 9.346 1.00 50.40 C ATOM 0 H LEU A 73 8.469 -36.952 9.951 1.00 62.30 H new ATOM 0 HA LEU A 73 8.666 -39.718 9.238 1.00 35.40 H new ATOM 0 HB2 LEU A 73 8.129 -37.131 7.762 1.00 34.40 H new ATOM 0 HB3 LEU A 73 8.263 -38.656 6.909 1.00 34.40 H new ATOM 0 HG LEU A 73 5.941 -38.141 7.258 1.00 33.34 H new ATOM 0 HD11 LEU A 73 5.206 -40.149 8.482 1.00 21.13 H new ATOM 0 HD12 LEU A 73 6.571 -40.501 7.395 1.00 21.13 H new ATOM 0 HD13 LEU A 73 6.846 -40.339 9.146 1.00 21.13 H new ATOM 0 HD21 LEU A 73 4.973 -37.922 9.514 1.00 50.40 H new ATOM 0 HD22 LEU A 73 6.604 -38.024 10.219 1.00 50.40 H new ATOM 0 HD23 LEU A 73 6.168 -36.645 9.182 1.00 50.40 H new ATOM 1097 N HIS A 74 10.974 -39.974 8.418 1.00 22.41 N ATOM 1098 CA HIS A 74 12.322 -40.178 7.900 1.00 62.43 C ATOM 1099 C HIS A 74 12.288 -40.497 6.408 1.00 21.41 C ATOM 1100 O HIS A 74 11.351 -41.128 5.920 1.00 61.32 O ATOM 1101 CB HIS A 74 13.018 -41.309 8.659 1.00 12.40 C ATOM 1102 CG HIS A 74 14.400 -40.959 9.119 1.00 34.31 C ATOM 1103 ND1 HIS A 74 15.391 -40.526 8.264 1.00 74.12 N ATOM 1104 CD2 HIS A 74 14.953 -40.980 10.354 1.00 0.42 C ATOM 1105 CE1 HIS A 74 16.494 -40.297 8.953 1.00 43.44 C ATOM 1106 NE2 HIS A 74 16.255 -40.564 10.224 1.00 42.32 N ATOM 0 H HIS A 74 10.548 -40.807 8.824 1.00 22.41 H new ATOM 0 HA HIS A 74 12.883 -39.255 8.044 1.00 62.43 H new ATOM 0 HB2 HIS A 74 12.414 -41.581 9.524 1.00 12.40 H new ATOM 0 HB3 HIS A 74 13.069 -42.189 8.017 1.00 12.40 H new ATOM 0 HD2 HIS A 74 14.462 -41.270 11.271 1.00 0.42 H new ATOM 0 HE1 HIS A 74 17.432 -39.950 8.546 1.00 43.44 H new ATOM 0 HE2 HIS A 74 16.928 -40.476 10.985 1.00 42.32 H new ATOM 1114 N ALA A 75 13.316 -40.056 5.690 1.00 73.51 N ATOM 1115 CA ALA A 75 13.404 -40.296 4.255 1.00 74.12 C ATOM 1116 C ALA A 75 14.226 -41.545 3.956 1.00 3.21 C ATOM 1117 O ALA A 75 15.064 -41.971 4.752 1.00 53.22 O ATOM 1118 CB ALA A 75 14.003 -39.086 3.553 1.00 23.45 C ATOM 0 H ALA A 75 14.099 -39.531 6.079 1.00 73.51 H new ATOM 0 HA ALA A 75 12.395 -40.459 3.877 1.00 74.12 H new ATOM 0 HB1 ALA A 75 14.063 -39.279 2.482 1.00 23.45 H new ATOM 0 HB2 ALA A 75 13.373 -38.214 3.730 1.00 23.45 H new ATOM 0 HB3 ALA A 75 15.003 -38.897 3.944 1.00 23.45 H new ATOM 1124 N PRO A 76 13.984 -42.148 2.783 1.00 53.43 N ATOM 1125 CA PRO A 76 14.692 -43.357 2.352 1.00 3.44 C ATOM 1126 C PRO A 76 16.156 -43.084 2.021 1.00 34.05 C ATOM 1127 O PRO A 76 16.654 -41.978 2.232 1.00 72.04 O ATOM 1128 CB PRO A 76 13.931 -43.786 1.096 1.00 52.43 C ATOM 1129 CG PRO A 76 13.319 -42.530 0.577 1.00 73.53 C ATOM 1130 CD PRO A 76 12.999 -41.695 1.785 1.00 5.23 C ATOM 0 HA PRO A 76 14.714 -44.117 3.133 1.00 3.44 H new ATOM 0 HB2 PRO A 76 14.600 -44.234 0.361 1.00 52.43 H new ATOM 0 HB3 PRO A 76 13.170 -44.531 1.329 1.00 52.43 H new ATOM 0 HG2 PRO A 76 14.006 -42.007 -0.088 1.00 73.53 H new ATOM 0 HG3 PRO A 76 12.419 -42.744 0.001 1.00 73.53 H new ATOM 0 HD2 PRO A 76 13.100 -40.630 1.576 1.00 5.23 H new ATOM 0 HD3 PRO A 76 11.977 -41.857 2.127 1.00 5.23 H new ATOM 1138 N ASP A 77 16.839 -44.098 1.503 1.00 72.41 N ATOM 1139 CA ASP A 77 18.245 -43.967 1.141 1.00 25.53 C ATOM 1140 C ASP A 77 18.399 -43.242 -0.192 1.00 14.53 C ATOM 1141 O ASP A 77 19.513 -42.993 -0.650 1.00 4.13 O ATOM 1142 CB ASP A 77 18.905 -45.345 1.064 1.00 33.43 C ATOM 1143 CG ASP A 77 20.387 -45.296 1.377 1.00 24.10 C ATOM 1144 OD1 ASP A 77 21.133 -44.645 0.616 1.00 64.14 O ATOM 1145 OD2 ASP A 77 20.802 -45.908 2.384 1.00 54.24 O ATOM 0 H ASP A 77 16.442 -45.020 1.324 1.00 72.41 H new ATOM 0 HA ASP A 77 18.739 -43.378 1.914 1.00 25.53 H new ATOM 0 HB2 ASP A 77 18.411 -46.020 1.763 1.00 33.43 H new ATOM 0 HB3 ASP A 77 18.761 -45.758 0.066 1.00 33.43 H new ATOM 1150 N ALA A 78 17.271 -42.905 -0.809 1.00 70.35 N ATOM 1151 CA ALA A 78 17.280 -42.207 -2.089 1.00 71.31 C ATOM 1152 C ALA A 78 16.814 -40.764 -1.930 1.00 43.13 C ATOM 1153 O ALA A 78 17.180 -39.893 -2.719 1.00 21.14 O ATOM 1154 CB ALA A 78 16.404 -42.939 -3.095 1.00 51.24 C ATOM 0 H ALA A 78 16.340 -43.104 -0.443 1.00 70.35 H new ATOM 0 HA ALA A 78 18.305 -42.192 -2.460 1.00 71.31 H new ATOM 0 HB1 ALA A 78 16.420 -42.407 -4.046 1.00 51.24 H new ATOM 0 HB2 ALA A 78 16.783 -43.951 -3.239 1.00 51.24 H new ATOM 0 HB3 ALA A 78 15.381 -42.984 -2.722 1.00 51.24 H new ATOM 1160 N GLY A 79 16.004 -40.517 -0.905 1.00 71.53 N ATOM 1161 CA GLY A 79 15.501 -39.178 -0.663 1.00 11.02 C ATOM 1162 C GLY A 79 13.994 -39.091 -0.802 1.00 0.53 C ATOM 1163 O GLY A 79 13.332 -40.088 -1.088 1.00 14.04 O ATOM 0 H GLY A 79 15.687 -41.221 -0.238 1.00 71.53 H new ATOM 0 HA2 GLY A 79 15.789 -38.860 0.339 1.00 11.02 H new ATOM 0 HA3 GLY A 79 15.968 -38.486 -1.363 1.00 11.02 H new ATOM 1167 N TRP A 80 13.451 -37.896 -0.598 1.00 3.24 N ATOM 1168 CA TRP A 80 12.012 -37.683 -0.700 1.00 41.31 C ATOM 1169 C TRP A 80 11.542 -37.828 -2.143 1.00 52.32 C ATOM 1170 O TRP A 80 10.692 -38.663 -2.448 1.00 72.20 O ATOM 1171 CB TRP A 80 11.641 -36.298 -0.167 1.00 5.04 C ATOM 1172 CG TRP A 80 11.793 -36.174 1.319 1.00 4.23 C ATOM 1173 CD1 TRP A 80 12.630 -35.328 1.990 1.00 65.33 C ATOM 1174 CD2 TRP A 80 11.090 -36.920 2.318 1.00 31.50 C ATOM 1175 NE1 TRP A 80 12.490 -35.504 3.345 1.00 32.52 N ATOM 1176 CE2 TRP A 80 11.550 -36.475 3.573 1.00 43.14 C ATOM 1177 CE3 TRP A 80 10.115 -37.920 2.275 1.00 72.41 C ATOM 1178 CZ2 TRP A 80 11.069 -36.997 4.770 1.00 14.21 C ATOM 1179 CZ3 TRP A 80 9.638 -38.438 3.464 1.00 10.43 C ATOM 1180 CH2 TRP A 80 10.114 -37.975 4.698 1.00 2.12 C ATOM 0 H TRP A 80 13.985 -37.060 -0.361 1.00 3.24 H new ATOM 0 HA TRP A 80 11.514 -38.442 -0.097 1.00 41.31 H new ATOM 0 HB2 TRP A 80 12.267 -35.550 -0.653 1.00 5.04 H new ATOM 0 HB3 TRP A 80 10.609 -36.076 -0.439 1.00 5.04 H new ATOM 0 HD1 TRP A 80 13.303 -34.624 1.523 1.00 65.33 H new ATOM 0 HE1 TRP A 80 13.003 -34.995 4.065 1.00 32.52 H new ATOM 0 HE3 TRP A 80 9.741 -38.282 1.329 1.00 72.41 H new ATOM 0 HZ2 TRP A 80 11.436 -36.643 5.722 1.00 14.21 H new ATOM 0 HZ3 TRP A 80 8.886 -39.213 3.442 1.00 10.43 H new ATOM 0 HH2 TRP A 80 9.720 -38.398 5.610 1.00 2.12 H new ATOM 1191 N GLY A 81 12.101 -37.008 -3.029 1.00 33.23 N ATOM 1192 CA GLY A 81 11.725 -37.062 -4.429 1.00 63.15 C ATOM 1193 C GLY A 81 10.462 -36.277 -4.722 1.00 3.31 C ATOM 1194 O GLY A 81 10.028 -35.462 -3.909 1.00 31.12 O ATOM 0 H GLY A 81 12.807 -36.308 -2.801 1.00 33.23 H new ATOM 0 HA2 GLY A 81 12.541 -36.671 -5.036 1.00 63.15 H new ATOM 0 HA3 GLY A 81 11.579 -38.101 -4.723 1.00 63.15 H new ATOM 1198 N ASN A 82 9.872 -36.521 -5.887 1.00 40.35 N ATOM 1199 CA ASN A 82 8.652 -35.828 -6.286 1.00 42.03 C ATOM 1200 C ASN A 82 7.574 -36.823 -6.706 1.00 42.31 C ATOM 1201 O ASN A 82 6.773 -36.546 -7.600 1.00 61.51 O ATOM 1202 CB ASN A 82 8.943 -34.859 -7.434 1.00 60.34 C ATOM 1203 CG ASN A 82 9.865 -33.730 -7.018 1.00 41.41 C ATOM 1204 OD1 ASN A 82 10.380 -33.714 -5.900 1.00 42.10 O ATOM 1205 ND2 ASN A 82 10.077 -32.777 -7.919 1.00 23.04 N ATOM 0 H ASN A 82 10.218 -37.193 -6.572 1.00 40.35 H new ATOM 0 HA ASN A 82 8.287 -35.264 -5.428 1.00 42.03 H new ATOM 0 HB2 ASN A 82 9.394 -35.406 -8.262 1.00 60.34 H new ATOM 0 HB3 ASN A 82 8.005 -34.442 -7.800 1.00 60.34 H new ATOM 0 HD21 ASN A 82 10.688 -31.991 -7.696 1.00 23.04 H new ATOM 0 HD22 ASN A 82 9.629 -32.831 -8.834 1.00 23.04 H new ATOM 1212 N LEU A 83 7.560 -37.981 -6.055 1.00 13.50 N ATOM 1213 CA LEU A 83 6.580 -39.017 -6.360 1.00 34.35 C ATOM 1214 C LEU A 83 5.306 -38.820 -5.543 1.00 43.54 C ATOM 1215 O LEU A 83 5.170 -37.837 -4.814 1.00 23.54 O ATOM 1216 CB LEU A 83 7.168 -40.401 -6.080 1.00 24.21 C ATOM 1217 CG LEU A 83 7.945 -40.548 -4.771 1.00 35.44 C ATOM 1218 CD1 LEU A 83 9.374 -40.058 -4.940 1.00 22.43 C ATOM 1219 CD2 LEU A 83 7.248 -39.791 -3.650 1.00 1.43 C ATOM 0 H LEU A 83 8.216 -38.226 -5.313 1.00 13.50 H new ATOM 0 HA LEU A 83 6.327 -38.942 -7.418 1.00 34.35 H new ATOM 0 HB2 LEU A 83 6.354 -41.126 -6.080 1.00 24.21 H new ATOM 0 HB3 LEU A 83 7.830 -40.666 -6.904 1.00 24.21 H new ATOM 0 HG LEU A 83 7.975 -41.605 -4.505 1.00 35.44 H new ATOM 0 HD11 LEU A 83 9.911 -40.171 -3.998 1.00 22.43 H new ATOM 0 HD12 LEU A 83 9.871 -40.644 -5.713 1.00 22.43 H new ATOM 0 HD13 LEU A 83 9.366 -39.007 -5.230 1.00 22.43 H new ATOM 0 HD21 LEU A 83 7.814 -39.906 -2.726 1.00 1.43 H new ATOM 0 HD22 LEU A 83 7.186 -38.734 -3.908 1.00 1.43 H new ATOM 0 HD23 LEU A 83 6.243 -40.190 -3.512 1.00 1.43 H new ATOM 1231 N VAL A 84 4.376 -39.760 -5.670 1.00 71.45 N ATOM 1232 CA VAL A 84 3.115 -39.692 -4.942 1.00 54.34 C ATOM 1233 C VAL A 84 3.183 -40.494 -3.648 1.00 10.33 C ATOM 1234 O VAL A 84 3.993 -41.411 -3.516 1.00 21.52 O ATOM 1235 CB VAL A 84 1.944 -40.215 -5.796 1.00 43.23 C ATOM 1236 CG1 VAL A 84 0.613 -39.858 -5.153 1.00 73.04 C ATOM 1237 CG2 VAL A 84 2.028 -39.661 -7.211 1.00 22.13 C ATOM 0 H VAL A 84 4.472 -40.579 -6.271 1.00 71.45 H new ATOM 0 HA VAL A 84 2.943 -38.642 -4.707 1.00 54.34 H new ATOM 0 HB VAL A 84 2.014 -41.301 -5.851 1.00 43.23 H new ATOM 0 HG11 VAL A 84 -0.202 -40.236 -5.770 1.00 73.04 H new ATOM 0 HG12 VAL A 84 0.556 -40.308 -4.162 1.00 73.04 H new ATOM 0 HG13 VAL A 84 0.530 -38.775 -5.065 1.00 73.04 H new ATOM 0 HG21 VAL A 84 1.193 -40.041 -7.800 1.00 22.13 H new ATOM 0 HG22 VAL A 84 1.984 -38.572 -7.179 1.00 22.13 H new ATOM 0 HG23 VAL A 84 2.967 -39.973 -7.669 1.00 22.13 H new ATOM 1247 N TYR A 85 2.327 -40.142 -2.695 1.00 3.14 N ATOM 1248 CA TYR A 85 2.291 -40.828 -1.408 1.00 44.24 C ATOM 1249 C TYR A 85 0.860 -41.188 -1.023 1.00 60.40 C ATOM 1250 O TYR A 85 -0.084 -40.472 -1.356 1.00 33.22 O ATOM 1251 CB TYR A 85 2.919 -39.952 -0.322 1.00 73.32 C ATOM 1252 CG TYR A 85 1.904 -39.217 0.524 1.00 51.23 C ATOM 1253 CD1 TYR A 85 1.262 -39.850 1.581 1.00 25.12 C ATOM 1254 CD2 TYR A 85 1.586 -37.889 0.265 1.00 32.41 C ATOM 1255 CE1 TYR A 85 0.334 -39.182 2.356 1.00 21.54 C ATOM 1256 CE2 TYR A 85 0.660 -37.213 1.036 1.00 71.51 C ATOM 1257 CZ TYR A 85 0.037 -37.864 2.080 1.00 33.31 C ATOM 1258 OH TYR A 85 -0.887 -37.195 2.849 1.00 13.14 O ATOM 0 H TYR A 85 1.649 -39.386 -2.789 1.00 3.14 H new ATOM 0 HA TYR A 85 2.866 -41.750 -1.499 1.00 44.24 H new ATOM 0 HB2 TYR A 85 3.536 -40.576 0.325 1.00 73.32 H new ATOM 0 HB3 TYR A 85 3.583 -39.226 -0.791 1.00 73.32 H new ATOM 0 HD1 TYR A 85 1.492 -40.882 1.801 1.00 25.12 H new ATOM 0 HD2 TYR A 85 2.071 -37.377 -0.553 1.00 32.41 H new ATOM 0 HE1 TYR A 85 -0.156 -39.689 3.174 1.00 21.54 H new ATOM 0 HE2 TYR A 85 0.425 -36.181 0.822 1.00 71.51 H new ATOM 0 HH TYR A 85 -0.718 -36.231 2.799 1.00 13.14 H new ATOM 1268 N VAL A 86 0.707 -42.305 -0.318 1.00 4.00 N ATOM 1269 CA VAL A 86 -0.608 -42.762 0.115 1.00 3.34 C ATOM 1270 C VAL A 86 -0.779 -42.593 1.621 1.00 72.41 C ATOM 1271 O VAL A 86 0.037 -43.074 2.407 1.00 1.33 O ATOM 1272 CB VAL A 86 -0.839 -44.239 -0.255 1.00 1.14 C ATOM 1273 CG1 VAL A 86 -2.156 -44.734 0.323 1.00 71.25 C ATOM 1274 CG2 VAL A 86 -0.807 -44.421 -1.765 1.00 1.34 C ATOM 0 H VAL A 86 1.478 -42.910 -0.035 1.00 4.00 H new ATOM 0 HA VAL A 86 -1.344 -42.147 -0.403 1.00 3.34 H new ATOM 0 HB VAL A 86 -0.034 -44.834 0.176 1.00 1.14 H new ATOM 0 HG11 VAL A 86 -2.302 -45.779 0.051 1.00 71.25 H new ATOM 0 HG12 VAL A 86 -2.135 -44.641 1.409 1.00 71.25 H new ATOM 0 HG13 VAL A 86 -2.976 -44.137 -0.076 1.00 71.25 H new ATOM 0 HG21 VAL A 86 -0.972 -45.471 -2.009 1.00 1.34 H new ATOM 0 HG22 VAL A 86 -1.590 -43.815 -2.221 1.00 1.34 H new ATOM 0 HG23 VAL A 86 0.164 -44.108 -2.149 1.00 1.34 H new ATOM 1284 N VAL A 87 -1.847 -41.908 2.016 1.00 34.03 N ATOM 1285 CA VAL A 87 -2.128 -41.677 3.428 1.00 20.23 C ATOM 1286 C VAL A 87 -2.408 -42.988 4.154 1.00 30.14 C ATOM 1287 O VAL A 87 -2.933 -43.934 3.569 1.00 54.33 O ATOM 1288 CB VAL A 87 -3.330 -40.733 3.615 1.00 54.25 C ATOM 1289 CG1 VAL A 87 -3.415 -40.253 5.055 1.00 4.15 C ATOM 1290 CG2 VAL A 87 -3.236 -39.555 2.656 1.00 22.13 C ATOM 0 H VAL A 87 -2.532 -41.503 1.378 1.00 34.03 H new ATOM 0 HA VAL A 87 -1.240 -41.211 3.855 1.00 20.23 H new ATOM 0 HB VAL A 87 -4.242 -41.286 3.388 1.00 54.25 H new ATOM 0 HG11 VAL A 87 -4.271 -39.587 5.167 1.00 4.15 H new ATOM 0 HG12 VAL A 87 -3.533 -41.110 5.718 1.00 4.15 H new ATOM 0 HG13 VAL A 87 -2.502 -39.717 5.314 1.00 4.15 H new ATOM 0 HG21 VAL A 87 -4.093 -38.898 2.802 1.00 22.13 H new ATOM 0 HG22 VAL A 87 -2.317 -39.001 2.849 1.00 22.13 H new ATOM 0 HG23 VAL A 87 -3.230 -39.921 1.629 1.00 22.13 H new ATOM 1300 N ASN A 88 -2.054 -43.037 5.435 1.00 43.45 N ATOM 1301 CA ASN A 88 -2.267 -44.232 6.242 1.00 61.32 C ATOM 1302 C ASN A 88 -2.582 -43.863 7.688 1.00 31.02 C ATOM 1303 O ASN A 88 -1.872 -43.070 8.306 1.00 25.04 O ATOM 1304 CB ASN A 88 -1.032 -45.134 6.192 1.00 43.25 C ATOM 1305 CG ASN A 88 -1.324 -46.542 6.671 1.00 31.43 C ATOM 1306 OD1 ASN A 88 -2.373 -47.109 6.365 1.00 71.31 O ATOM 1307 ND2 ASN A 88 -0.395 -47.114 7.428 1.00 21.24 N ATOM 0 H ASN A 88 -1.618 -42.262 5.936 1.00 43.45 H new ATOM 0 HA ASN A 88 -3.120 -44.771 5.829 1.00 61.32 H new ATOM 0 HB2 ASN A 88 -0.654 -45.172 5.170 1.00 43.25 H new ATOM 0 HB3 ASN A 88 -0.244 -44.700 6.807 1.00 43.25 H new ATOM 0 HD21 ASN A 88 -0.536 -48.061 7.781 1.00 21.24 H new ATOM 0 HD22 ASN A 88 0.460 -46.607 7.657 1.00 21.24 H new